----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:12:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.167432480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.908539209999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.031763069999998 Atomic positions (fractional): *1 Ho 0.59143850603944 0.25000000000000 0.96353582349886 164.930 2 Ho 0.40856149396057 0.75000000000000 0.03646417650115 164.930 3 Ho 0.90856149396056 0.75000000000000 0.46353582349886 164.930 4 Ho 0.09143850603943 0.25000000000000 0.53646417650114 164.930 *5 Te 0.82592362971913 0.75000000000000 0.86983296168804 127.600 6 Te 0.67407637028087 0.25000000000000 0.36983296168804 127.600 7 Te 0.32592362971913 0.75000000000000 0.63016703831196 127.600 8 Te 0.17407637028087 0.25000000000000 0.13016703831196 127.600 *9 Cl 0.93744076493293 0.25000000000000 0.81673097715281 35.453 10 Cl 0.43744076493293 0.25000000000000 0.68326902284719 35.453 11 Cl 0.56255923506707 0.75000000000000 0.31673097715281 35.453 12 Cl 0.06255923506707 0.75000000000000 0.18326902284719 35.453 *13 O 0.74197577423623 0.25000000000000 0.17048062155011 15.999 14 O 0.75802422576377 0.75000000000000 0.67048062155011 15.999 *15 O 0.64852909151014 0.56531992300763 0.93733056654822 15.999 16 O 0.64852909151014 0.93468007699237 0.93733056654822 15.999 17 O 0.35147090848986 0.43468007699237 0.06266943345178 15.999 18 O 0.35147090848986 0.06531992300763 0.06266943345178 15.999 19 O 0.85147090848986 0.43468007699237 0.43733056654822 15.999 20 O 0.14852909151014 0.56531992300763 0.56266943345178 15.999 21 O 0.14852909151014 0.93468007699237 0.56266943345178 15.999 22 O 0.25802422576377 0.75000000000000 0.82951937844989 15.999 23 O 0.24197577423623 0.25000000000000 0.32951937844989 15.999 24 O 0.85147090848986 0.06531992300763 0.43733056654822 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.167432480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.908539209999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.031763069999998 Atomic positions (fractional): *1 Ho 0.59143850603944 0.25000000000000 0.96353582349886 164.930 > 1 2 Ho 0.40856149396057 0.75000000000000 0.03646417650115 164.930 > 2 3 Ho 0.90856149396056 0.75000000000000 0.46353582349886 164.930 > 3 4 Ho 0.09143850603943 0.25000000000000 0.53646417650114 164.930 > 4 *5 Te 0.82592362971913 0.75000000000000 0.86983296168804 127.600 > 5 6 Te 0.67407637028087 0.25000000000000 0.36983296168804 127.600 > 6 7 Te 0.32592362971913 0.75000000000000 0.63016703831196 127.600 > 7 8 Te 0.17407637028087 0.25000000000000 0.13016703831196 127.600 > 8 *9 Cl 0.93744076493293 0.25000000000000 0.81673097715281 35.453 > 9 10 Cl 0.43744076493293 0.25000000000000 0.68326902284719 35.453 > 10 11 Cl 0.56255923506707 0.75000000000000 0.31673097715281 35.453 > 11 12 Cl 0.06255923506707 0.75000000000000 0.18326902284719 35.453 > 12 *13 O 0.74197577423623 0.25000000000000 0.17048062155011 15.999 > 13 14 O 0.75802422576377 0.75000000000000 0.67048062155011 15.999 > 14 *15 O 0.64852909151014 0.56531992300763 0.93733056654822 15.999 > 15 16 O 0.64852909151014 0.93468007699237 0.93733056654822 15.999 > 16 17 O 0.35147090848986 0.43468007699237 0.06266943345178 15.999 > 17 18 O 0.35147090848986 0.06531992300763 0.06266943345178 15.999 > 18 19 O 0.85147090848986 0.43468007699237 0.43733056654822 15.999 > 19 20 O 0.14852909151014 0.56531992300763 0.56266943345178 15.999 > 20 21 O 0.14852909151014 0.93468007699237 0.56266943345178 15.999 > 21 22 O 0.25802422576377 0.75000000000000 0.82951937844989 15.999 > 22 23 O 0.24197577423623 0.25000000000000 0.32951937844989 15.999 > 23 24 O 0.85147090848986 0.06531992300763 0.43733056654822 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.334864960000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.817078419999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.031763069999998 Atomic positions (fractional): *1 Ho 0.29571925301972 0.12500000000000 0.96353582349886 164.930 > 1 2 Ho 0.79571925301972 0.12500000000000 0.96353582349886 164.930 > 1 3 Ho 0.29571925301972 0.62500000000000 0.96353582349886 164.930 > 1 4 Ho 0.79571925301972 0.62500000000000 0.96353582349886 164.930 > 1 5 Ho 0.20428074698028 0.37500000000000 0.03646417650115 164.930 > 2 6 Ho 0.70428074698028 0.37500000000000 0.03646417650115 164.930 > 2 7 Ho 0.20428074698028 0.87500000000000 0.03646417650115 164.930 > 2 8 Ho 0.70428074698028 0.87500000000000 0.03646417650115 164.930 > 2 9 Ho 0.45428074698028 0.37500000000000 0.46353582349886 164.930 > 3 10 Ho 0.95428074698028 0.37500000000000 0.46353582349886 164.930 > 3 11 Ho 0.45428074698028 0.87500000000000 0.46353582349886 164.930 > 3 12 Ho 0.95428074698028 0.87500000000000 0.46353582349886 164.930 > 3 13 Ho 0.04571925301972 0.12500000000000 0.53646417650114 164.930 > 4 14 Ho 0.54571925301972 0.12500000000000 0.53646417650114 164.930 > 4 15 Ho 0.04571925301972 0.62500000000000 0.53646417650114 164.930 > 4 16 Ho 0.54571925301972 0.62500000000000 0.53646417650114 164.930 > 4 *17 Te 0.41296181485956 0.37500000000000 0.86983296168804 127.600 > 5 18 Te 0.91296181485956 0.37500000000000 0.86983296168804 127.600 > 5 19 Te 0.41296181485956 0.87500000000000 0.86983296168804 127.600 > 5 20 Te 0.91296181485956 0.87500000000000 0.86983296168804 127.600 > 5 21 Te 0.33703818514044 0.12500000000000 0.36983296168804 127.600 > 6 22 Te 0.83703818514044 0.12500000000000 0.36983296168804 127.600 > 6 23 Te 0.33703818514044 0.62500000000000 0.36983296168804 127.600 > 6 24 Te 0.83703818514044 0.62500000000000 0.36983296168804 127.600 > 6 25 Te 0.16296181485956 0.37500000000000 0.63016703831196 127.600 > 7 26 Te 0.66296181485956 0.37500000000000 0.63016703831196 127.600 > 7 27 Te 0.16296181485956 0.87500000000000 0.63016703831196 127.600 > 7 28 Te 0.66296181485956 0.87500000000000 0.63016703831196 127.600 > 7 29 Te 0.08703818514044 0.12500000000000 0.13016703831196 127.600 > 8 30 Te 0.58703818514044 0.12500000000000 0.13016703831196 127.600 > 8 31 Te 0.08703818514044 0.62500000000000 0.13016703831196 127.600 > 8 32 Te 0.58703818514044 0.62500000000000 0.13016703831196 127.600 > 8 *33 Cl 0.46872038246647 0.12500000000000 0.81673097715281 35.453 > 9 34 Cl 0.96872038246647 0.12500000000000 0.81673097715281 35.453 > 9 35 Cl 0.46872038246647 0.62500000000000 0.81673097715281 35.453 > 9 36 Cl 0.96872038246647 0.62500000000000 0.81673097715281 35.453 > 9 37 Cl 0.21872038246647 0.12500000000000 0.68326902284719 35.453 > 10 38 Cl 0.71872038246647 0.12500000000000 0.68326902284719 35.453 > 10 39 Cl 0.21872038246647 0.62500000000000 0.68326902284719 35.453 > 10 40 Cl 0.71872038246647 0.62500000000000 0.68326902284719 35.453 > 10 41 Cl 0.28127961753353 0.37500000000000 0.31673097715281 35.453 > 11 42 Cl 0.78127961753353 0.37500000000000 0.31673097715281 35.453 > 11 43 Cl 0.28127961753353 0.87500000000000 0.31673097715281 35.453 > 11 44 Cl 0.78127961753353 0.87500000000000 0.31673097715281 35.453 > 11 45 Cl 0.03127961753353 0.37500000000000 0.18326902284719 35.453 > 12 46 Cl 0.53127961753353 0.37500000000000 0.18326902284719 35.453 > 12 47 Cl 0.03127961753353 0.87500000000000 0.18326902284719 35.453 > 12 48 Cl 0.53127961753353 0.87500000000000 0.18326902284719 35.453 > 12 *49 O 0.37098788711811 0.12500000000000 0.17048062155011 15.999 > 13 50 O 0.87098788711811 0.12500000000000 0.17048062155011 15.999 > 13 51 O 0.37098788711811 0.62500000000000 0.17048062155011 15.999 > 13 52 O 0.87098788711811 0.62500000000000 0.17048062155011 15.999 > 13 53 O 0.37901211288189 0.37500000000000 0.67048062155011 15.999 > 14 54 O 0.87901211288189 0.37500000000000 0.67048062155011 15.999 > 14 55 O 0.37901211288189 0.87500000000000 0.67048062155011 15.999 > 14 56 O 0.87901211288189 0.87500000000000 0.67048062155011 15.999 > 14 *57 O 0.32426454575507 0.28265996150382 0.93733056654822 15.999 > 15 58 O 0.82426454575507 0.28265996150382 0.93733056654822 15.999 > 15 59 O 0.32426454575507 0.78265996150382 0.93733056654822 15.999 > 15 60 O 0.82426454575507 0.78265996150382 0.93733056654822 15.999 > 15 61 O 0.32426454575507 0.46734003849618 0.93733056654822 15.999 > 16 62 O 0.82426454575507 0.46734003849618 0.93733056654822 15.999 > 16 63 O 0.32426454575507 0.96734003849618 0.93733056654822 15.999 > 16 64 O 0.82426454575507 0.96734003849618 0.93733056654822 15.999 > 16 65 O 0.17573545424493 0.21734003849618 0.06266943345178 15.999 > 17 66 O 0.67573545424493 0.21734003849618 0.06266943345178 15.999 > 17 67 O 0.17573545424493 0.71734003849618 0.06266943345178 15.999 > 17 68 O 0.67573545424493 0.71734003849618 0.06266943345178 15.999 > 17 69 O 0.17573545424493 0.03265996150381 0.06266943345178 15.999 > 18 70 O 0.67573545424493 0.03265996150381 0.06266943345178 15.999 > 18 71 O 0.17573545424493 0.53265996150382 0.06266943345178 15.999 > 18 72 O 0.67573545424493 0.53265996150382 0.06266943345178 15.999 > 18 73 O 0.42573545424493 0.21734003849618 0.43733056654822 15.999 > 19 74 O 0.92573545424493 0.21734003849618 0.43733056654822 15.999 > 19 75 O 0.42573545424493 0.71734003849618 0.43733056654822 15.999 > 19 76 O 0.92573545424493 0.71734003849618 0.43733056654822 15.999 > 19 77 O 0.07426454575507 0.28265996150382 0.56266943345178 15.999 > 20 78 O 0.57426454575507 0.28265996150382 0.56266943345178 15.999 > 20 79 O 0.07426454575507 0.78265996150382 0.56266943345178 15.999 > 20 80 O 0.57426454575507 0.78265996150382 0.56266943345178 15.999 > 20 81 O 0.07426454575507 0.46734003849618 0.56266943345178 15.999 > 21 82 O 0.57426454575507 0.46734003849618 0.56266943345178 15.999 > 21 83 O 0.07426454575507 0.96734003849618 0.56266943345178 15.999 > 21 84 O 0.57426454575507 0.96734003849618 0.56266943345178 15.999 > 21 85 O 0.12901211288188 0.37500000000000 0.82951937844989 15.999 > 22 86 O 0.62901211288188 0.37500000000000 0.82951937844989 15.999 > 22 87 O 0.12901211288188 0.87500000000000 0.82951937844989 15.999 > 22 88 O 0.62901211288188 0.87500000000000 0.82951937844989 15.999 > 22 89 O 0.12098788711812 0.12500000000000 0.32951937844989 15.999 > 23 90 O 0.62098788711812 0.12500000000000 0.32951937844989 15.999 > 23 91 O 0.12098788711812 0.62500000000000 0.32951937844989 15.999 > 23 92 O 0.62098788711812 0.62500000000000 0.32951937844989 15.999 > 23 93 O 0.42573545424493 0.03265996150381 0.43733056654822 15.999 > 24 94 O 0.92573545424493 0.03265996150381 0.43733056654822 15.999 > 24 95 O 0.42573545424493 0.53265996150382 0.43733056654822 15.999 > 24 96 O 0.92573545424493 0.53265996150382 0.43733056654822 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6164788 0.0000000 0.0000000 0.0000000 3.8428276 0.0000000 0.0000000 0.0000000 4.0344584 -------------------------- Born effective charges -------------------------- 1 Ho 3.7114699 0.0000000 0.1283648 0.0000000 4.2768443 0.0000000 0.2606126 0.0000000 4.3997294 2 Ho 3.7114699 0.0000000 0.1283648 0.0000000 4.2768443 0.0000000 0.2606126 0.0000000 4.3997294 3 Ho 3.7114699 0.0000000 -0.1283648 0.0000000 4.2768443 0.0000000 -0.2606126 0.0000000 4.3997294 4 Ho 3.7114699 0.0000000 -0.1283648 0.0000000 4.2768443 0.0000000 -0.2606126 0.0000000 4.3997294 5 Te 3.0631287 0.0000000 -0.4035580 0.0000000 3.3227063 0.0000000 -0.4404763 0.0000000 3.7703129 6 Te 3.0631287 0.0000000 0.4035580 0.0000000 3.3227063 0.0000000 0.4404763 0.0000000 3.7703129 7 Te 3.0631287 0.0000000 0.4035580 0.0000000 3.3227063 0.0000000 0.4404763 0.0000000 3.7703129 8 Te 3.0631287 0.0000000 -0.4035580 0.0000000 3.3227063 0.0000000 -0.4404763 0.0000000 3.7703129 9 Cl -1.3727072 0.0000000 0.3415567 0.0000000 -1.0763518 0.0000000 0.3579754 0.0000000 -1.7992900 10 Cl -1.3727072 0.0000000 -0.3415567 0.0000000 -1.0763518 0.0000000 -0.3579754 0.0000000 -1.7992900 11 Cl -1.3727072 0.0000000 -0.3415567 0.0000000 -1.0763518 0.0000000 -0.3579754 0.0000000 -1.7992900 12 Cl -1.3727072 0.0000000 0.3415567 0.0000000 -1.0763518 0.0000000 0.3579754 0.0000000 -1.7992900 13 O -1.4920898 0.0000000 -0.6622775 0.0000000 -0.8410648 0.0000000 -0.0014187 0.0000000 -3.7436394 14 O -1.4920898 0.0000000 0.6622775 0.0000000 -0.8410648 0.0000000 0.0014187 0.0000000 -3.7436394 15 O -1.9549008 -0.2735863 0.4222712 -0.7769684 -2.8410670 0.2595023 0.8177698 0.5177141 -1.3135565 16 O -1.9549008 0.2735863 0.4222712 0.7769684 -2.8410670 -0.2595023 0.8177698 -0.5177141 -1.3135565 17 O -1.9549008 -0.2735863 0.4222712 -0.7769684 -2.8410670 0.2595023 0.8177698 0.5177141 -1.3135565 18 O -1.9549008 0.2735863 0.4222712 0.7769684 -2.8410670 -0.2595023 0.8177698 -0.5177141 -1.3135565 19 O -1.9549008 -0.2735863 -0.4222712 -0.7769684 -2.8410670 -0.2595023 -0.8177698 -0.5177141 -1.3135565 20 O -1.9549008 -0.2735863 -0.4222712 -0.7769684 -2.8410670 -0.2595023 -0.8177698 -0.5177141 -1.3135565 21 O -1.9549008 0.2735863 -0.4222712 0.7769684 -2.8410670 0.2595023 -0.8177698 0.5177141 -1.3135565 22 O -1.4920898 0.0000000 -0.6622775 0.0000000 -0.8410648 0.0000000 -0.0014187 0.0000000 -3.7436394 23 O -1.4920898 0.0000000 0.6622775 0.0000000 -0.8410648 0.0000000 0.0014187 0.0000000 -3.7436394 24 O -1.9549008 0.2735863 -0.4222712 0.7769684 -2.8410670 0.2595023 -0.8177698 0.5177141 -1.3135565 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1400 Number of blocks in projector: 1400 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: 352 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: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1400, 1371), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.506 Solver_block: 200 / 400 - Time: 1.509 Solver_block: 300 / 400 - Time: 1.509 Solver_block: 400 / 400 - Time: 1.510 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.064 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1400 Number of blocks in projector: 1400 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: 352 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: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1400, 1371), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), 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 2026-01-08 15:13:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:13:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.167432480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.908539209999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.031763069999998 Atomic positions (fractional): 1 Ho 0.59143850603944 0.25000000000000 0.96353582349886 164.930 2 Ho 0.40856149396057 0.75000000000000 0.03646417650115 164.930 3 Ho 0.90856149396056 0.75000000000000 0.46353582349886 164.930 4 Ho 0.09143850603943 0.25000000000000 0.53646417650114 164.930 5 Te 0.82592362971913 0.75000000000000 0.86983296168804 127.600 6 Te 0.67407637028087 0.25000000000000 0.36983296168804 127.600 7 Te 0.32592362971913 0.75000000000000 0.63016703831196 127.600 8 Te 0.17407637028087 0.25000000000000 0.13016703831196 127.600 9 Cl 0.93744076493293 0.25000000000000 0.81673097715281 35.453 10 Cl 0.43744076493293 0.25000000000000 0.68326902284719 35.453 11 Cl 0.56255923506707 0.75000000000000 0.31673097715281 35.453 12 Cl 0.06255923506707 0.75000000000000 0.18326902284719 35.453 13 O 0.74197577423623 0.25000000000000 0.17048062155011 15.999 14 O 0.75802422576377 0.75000000000000 0.67048062155011 15.999 15 O 0.64852909151014 0.56531992300763 0.93733056654822 15.999 16 O 0.64852909151014 0.93468007699237 0.93733056654822 15.999 17 O 0.35147090848986 0.43468007699237 0.06266943345178 15.999 18 O 0.35147090848986 0.06531992300763 0.06266943345178 15.999 19 O 0.85147090848986 0.43468007699237 0.43733056654822 15.999 20 O 0.14852909151014 0.56531992300763 0.56266943345178 15.999 21 O 0.14852909151014 0.93468007699237 0.56266943345178 15.999 22 O 0.25802422576377 0.75000000000000 0.82951937844989 15.999 23 O 0.24197577423623 0.25000000000000 0.32951937844989 15.999 24 O 0.85147090848986 0.06531992300763 0.43733056654822 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.334864960000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.817078419999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.031763069999998 Atomic positions (fractional): 1 Ho 0.29571925301972 0.12500000000000 0.96353582349886 164.930 > 1 2 Ho 0.79571925301972 0.12500000000000 0.96353582349886 164.930 > 1 3 Ho 0.29571925301972 0.62500000000000 0.96353582349886 164.930 > 1 4 Ho 0.79571925301972 0.62500000000000 0.96353582349886 164.930 > 1 5 Ho 0.20428074698028 0.37500000000000 0.03646417650115 164.930 > 5 6 Ho 0.70428074698028 0.37500000000000 0.03646417650115 164.930 > 5 7 Ho 0.20428074698028 0.87500000000000 0.03646417650115 164.930 > 5 8 Ho 0.70428074698028 0.87500000000000 0.03646417650115 164.930 > 5 9 Ho 0.45428074698028 0.37500000000000 0.46353582349886 164.930 > 9 10 Ho 0.95428074698028 0.37500000000000 0.46353582349886 164.930 > 9 11 Ho 0.45428074698028 0.87500000000000 0.46353582349886 164.930 > 9 12 Ho 0.95428074698028 0.87500000000000 0.46353582349886 164.930 > 9 13 Ho 0.04571925301972 0.12500000000000 0.53646417650114 164.930 > 13 14 Ho 0.54571925301972 0.12500000000000 0.53646417650114 164.930 > 13 15 Ho 0.04571925301972 0.62500000000000 0.53646417650114 164.930 > 13 16 Ho 0.54571925301972 0.62500000000000 0.53646417650114 164.930 > 13 17 Te 0.41296181485956 0.37500000000000 0.86983296168804 127.600 > 17 18 Te 0.91296181485956 0.37500000000000 0.86983296168804 127.600 > 17 19 Te 0.41296181485956 0.87500000000000 0.86983296168804 127.600 > 17 20 Te 0.91296181485956 0.87500000000000 0.86983296168804 127.600 > 17 21 Te 0.33703818514044 0.12500000000000 0.36983296168804 127.600 > 21 22 Te 0.83703818514044 0.12500000000000 0.36983296168804 127.600 > 21 23 Te 0.33703818514044 0.62500000000000 0.36983296168804 127.600 > 21 24 Te 0.83703818514044 0.62500000000000 0.36983296168804 127.600 > 21 25 Te 0.16296181485956 0.37500000000000 0.63016703831196 127.600 > 25 26 Te 0.66296181485956 0.37500000000000 0.63016703831196 127.600 > 25 27 Te 0.16296181485956 0.87500000000000 0.63016703831196 127.600 > 25 28 Te 0.66296181485956 0.87500000000000 0.63016703831196 127.600 > 25 29 Te 0.08703818514044 0.12500000000000 0.13016703831196 127.600 > 29 30 Te 0.58703818514044 0.12500000000000 0.13016703831196 127.600 > 29 31 Te 0.08703818514044 0.62500000000000 0.13016703831196 127.600 > 29 32 Te 0.58703818514044 0.62500000000000 0.13016703831196 127.600 > 29 33 Cl 0.46872038246647 0.12500000000000 0.81673097715281 35.453 > 33 34 Cl 0.96872038246647 0.12500000000000 0.81673097715281 35.453 > 33 35 Cl 0.46872038246647 0.62500000000000 0.81673097715281 35.453 > 33 36 Cl 0.96872038246647 0.62500000000000 0.81673097715281 35.453 > 33 37 Cl 0.21872038246647 0.12500000000000 0.68326902284719 35.453 > 37 38 Cl 0.71872038246647 0.12500000000000 0.68326902284719 35.453 > 37 39 Cl 0.21872038246647 0.62500000000000 0.68326902284719 35.453 > 37 40 Cl 0.71872038246647 0.62500000000000 0.68326902284719 35.453 > 37 41 Cl 0.28127961753353 0.37500000000000 0.31673097715281 35.453 > 41 42 Cl 0.78127961753353 0.37500000000000 0.31673097715281 35.453 > 41 43 Cl 0.28127961753353 0.87500000000000 0.31673097715281 35.453 > 41 44 Cl 0.78127961753353 0.87500000000000 0.31673097715281 35.453 > 41 45 Cl 0.03127961753353 0.37500000000000 0.18326902284719 35.453 > 45 46 Cl 0.53127961753353 0.37500000000000 0.18326902284719 35.453 > 45 47 Cl 0.03127961753353 0.87500000000000 0.18326902284719 35.453 > 45 48 Cl 0.53127961753353 0.87500000000000 0.18326902284719 35.453 > 45 49 O 0.37098788711811 0.12500000000000 0.17048062155011 15.999 > 49 50 O 0.87098788711811 0.12500000000000 0.17048062155011 15.999 > 49 51 O 0.37098788711811 0.62500000000000 0.17048062155011 15.999 > 49 52 O 0.87098788711811 0.62500000000000 0.17048062155011 15.999 > 49 53 O 0.37901211288189 0.37500000000000 0.67048062155011 15.999 > 53 54 O 0.87901211288189 0.37500000000000 0.67048062155011 15.999 > 53 55 O 0.37901211288189 0.87500000000000 0.67048062155011 15.999 > 53 56 O 0.87901211288189 0.87500000000000 0.67048062155011 15.999 > 53 57 O 0.32426454575507 0.28265996150382 0.93733056654822 15.999 > 57 58 O 0.82426454575507 0.28265996150382 0.93733056654822 15.999 > 57 59 O 0.32426454575507 0.78265996150382 0.93733056654822 15.999 > 57 60 O 0.82426454575507 0.78265996150382 0.93733056654822 15.999 > 57 61 O 0.32426454575507 0.46734003849618 0.93733056654822 15.999 > 61 62 O 0.82426454575507 0.46734003849618 0.93733056654822 15.999 > 61 63 O 0.32426454575507 0.96734003849618 0.93733056654822 15.999 > 61 64 O 0.82426454575507 0.96734003849618 0.93733056654822 15.999 > 61 65 O 0.17573545424493 0.21734003849618 0.06266943345178 15.999 > 65 66 O 0.67573545424493 0.21734003849618 0.06266943345178 15.999 > 65 67 O 0.17573545424493 0.71734003849618 0.06266943345178 15.999 > 65 68 O 0.67573545424493 0.71734003849618 0.06266943345178 15.999 > 65 69 O 0.17573545424493 0.03265996150381 0.06266943345178 15.999 > 69 70 O 0.67573545424493 0.03265996150381 0.06266943345178 15.999 > 69 71 O 0.17573545424493 0.53265996150382 0.06266943345178 15.999 > 69 72 O 0.67573545424493 0.53265996150382 0.06266943345178 15.999 > 69 73 O 0.42573545424493 0.21734003849618 0.43733056654822 15.999 > 73 74 O 0.92573545424493 0.21734003849618 0.43733056654822 15.999 > 73 75 O 0.42573545424493 0.71734003849618 0.43733056654822 15.999 > 73 76 O 0.92573545424493 0.71734003849618 0.43733056654822 15.999 > 73 77 O 0.07426454575507 0.28265996150382 0.56266943345178 15.999 > 77 78 O 0.57426454575507 0.28265996150382 0.56266943345178 15.999 > 77 79 O 0.07426454575507 0.78265996150382 0.56266943345178 15.999 > 77 80 O 0.57426454575507 0.78265996150382 0.56266943345178 15.999 > 77 81 O 0.07426454575507 0.46734003849618 0.56266943345178 15.999 > 81 82 O 0.57426454575507 0.46734003849618 0.56266943345178 15.999 > 81 83 O 0.07426454575507 0.96734003849618 0.56266943345178 15.999 > 81 84 O 0.57426454575507 0.96734003849618 0.56266943345178 15.999 > 81 85 O 0.12901211288188 0.37500000000000 0.82951937844989 15.999 > 85 86 O 0.62901211288188 0.37500000000000 0.82951937844989 15.999 > 85 87 O 0.12901211288188 0.87500000000000 0.82951937844989 15.999 > 85 88 O 0.62901211288188 0.87500000000000 0.82951937844989 15.999 > 85 89 O 0.12098788711812 0.12500000000000 0.32951937844989 15.999 > 89 90 O 0.62098788711812 0.12500000000000 0.32951937844989 15.999 > 89 91 O 0.12098788711812 0.62500000000000 0.32951937844989 15.999 > 89 92 O 0.62098788711812 0.62500000000000 0.32951937844989 15.999 > 89 93 O 0.42573545424493 0.03265996150381 0.43733056654822 15.999 > 93 94 O 0.92573545424493 0.03265996150381 0.43733056654822 15.999 > 93 95 O 0.42573545424493 0.53265996150382 0.43733056654822 15.999 > 93 96 O 0.92573545424493 0.53265996150382 0.43733056654822 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6164788 0.0000000 0.0000000 0.0000000 3.8428276 0.0000000 0.0000000 0.0000000 4.0344584 -------------------------- Born effective charges -------------------------- 1 Ho 3.7114699 0.0000000 0.1283648 0.0000000 4.2768443 0.0000000 0.2606126 0.0000000 4.3997294 2 Ho 3.7114699 0.0000000 0.1283648 0.0000000 4.2768443 0.0000000 0.2606126 0.0000000 4.3997294 3 Ho 3.7114699 0.0000000 -0.1283648 0.0000000 4.2768443 0.0000000 -0.2606126 0.0000000 4.3997294 4 Ho 3.7114699 0.0000000 -0.1283648 0.0000000 4.2768443 0.0000000 -0.2606126 0.0000000 4.3997294 5 Te 3.0631287 0.0000000 -0.4035580 0.0000000 3.3227063 0.0000000 -0.4404763 0.0000000 3.7703129 6 Te 3.0631287 0.0000000 0.4035580 0.0000000 3.3227063 0.0000000 0.4404763 0.0000000 3.7703129 7 Te 3.0631287 0.0000000 0.4035580 0.0000000 3.3227063 0.0000000 0.4404763 0.0000000 3.7703129 8 Te 3.0631287 0.0000000 -0.4035580 0.0000000 3.3227063 0.0000000 -0.4404763 0.0000000 3.7703129 9 Cl -1.3727072 0.0000000 0.3415567 0.0000000 -1.0763518 0.0000000 0.3579754 0.0000000 -1.7992900 10 Cl -1.3727072 0.0000000 -0.3415567 0.0000000 -1.0763518 0.0000000 -0.3579754 0.0000000 -1.7992900 11 Cl -1.3727072 0.0000000 -0.3415567 0.0000000 -1.0763518 0.0000000 -0.3579754 0.0000000 -1.7992900 12 Cl -1.3727072 0.0000000 0.3415567 0.0000000 -1.0763518 0.0000000 0.3579754 0.0000000 -1.7992900 13 O -1.4920898 0.0000000 -0.6622775 0.0000000 -0.8410648 0.0000000 -0.0014187 0.0000000 -3.7436394 14 O -1.4920898 0.0000000 0.6622775 0.0000000 -0.8410648 0.0000000 0.0014187 0.0000000 -3.7436394 15 O -1.9549008 -0.2735863 0.4222712 -0.7769684 -2.8410670 0.2595023 0.8177698 0.5177141 -1.3135565 16 O -1.9549008 0.2735863 0.4222712 0.7769684 -2.8410670 -0.2595023 0.8177698 -0.5177141 -1.3135565 17 O -1.9549008 -0.2735863 0.4222712 -0.7769684 -2.8410670 0.2595023 0.8177698 0.5177141 -1.3135565 18 O -1.9549008 0.2735863 0.4222712 0.7769684 -2.8410670 -0.2595023 0.8177698 -0.5177141 -1.3135565 19 O -1.9549008 -0.2735863 -0.4222712 -0.7769684 -2.8410670 -0.2595023 -0.8177698 -0.5177141 -1.3135565 20 O -1.9549008 -0.2735863 -0.4222712 -0.7769684 -2.8410670 -0.2595023 -0.8177698 -0.5177141 -1.3135565 21 O -1.9549008 0.2735863 -0.4222712 0.7769684 -2.8410670 0.2595023 -0.8177698 0.5177141 -1.3135565 22 O -1.4920898 0.0000000 -0.6622775 0.0000000 -0.8410648 0.0000000 -0.0014187 0.0000000 -3.7436394 23 O -1.4920898 0.0000000 0.6622775 0.0000000 -0.8410648 0.0000000 0.0014187 0.0000000 -3.7436394 24 O -1.9549008 0.2735863 -0.4222712 0.7769684 -2.8410670 0.2595023 -0.8177698 0.5177141 -1.3135565 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:13:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:13:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.167432480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.908539209999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.031763069999998 Atomic positions (fractional): 1 Ho 0.59143850603944 0.25000000000000 0.96353582349886 164.930 2 Ho 0.40856149396057 0.75000000000000 0.03646417650115 164.930 3 Ho 0.90856149396056 0.75000000000000 0.46353582349886 164.930 4 Ho 0.09143850603943 0.25000000000000 0.53646417650114 164.930 5 Te 0.82592362971913 0.75000000000000 0.86983296168804 127.600 6 Te 0.67407637028087 0.25000000000000 0.36983296168804 127.600 7 Te 0.32592362971913 0.75000000000000 0.63016703831196 127.600 8 Te 0.17407637028087 0.25000000000000 0.13016703831196 127.600 9 Cl 0.93744076493293 0.25000000000000 0.81673097715281 35.453 10 Cl 0.43744076493293 0.25000000000000 0.68326902284719 35.453 11 Cl 0.56255923506707 0.75000000000000 0.31673097715281 35.453 12 Cl 0.06255923506707 0.75000000000000 0.18326902284719 35.453 13 O 0.74197577423623 0.25000000000000 0.17048062155011 15.999 14 O 0.75802422576377 0.75000000000000 0.67048062155011 15.999 15 O 0.64852909151014 0.56531992300763 0.93733056654822 15.999 16 O 0.64852909151014 0.93468007699237 0.93733056654822 15.999 17 O 0.35147090848986 0.43468007699237 0.06266943345178 15.999 18 O 0.35147090848986 0.06531992300763 0.06266943345178 15.999 19 O 0.85147090848986 0.43468007699237 0.43733056654822 15.999 20 O 0.14852909151014 0.56531992300763 0.56266943345178 15.999 21 O 0.14852909151014 0.93468007699237 0.56266943345178 15.999 22 O 0.25802422576377 0.75000000000000 0.82951937844989 15.999 23 O 0.24197577423623 0.25000000000000 0.32951937844989 15.999 24 O 0.85147090848986 0.06531992300763 0.43733056654822 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.334864960000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.817078419999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.031763069999998 Atomic positions (fractional): 1 Ho 0.29571925301972 0.12500000000000 0.96353582349886 164.930 > 1 2 Ho 0.79571925301972 0.12500000000000 0.96353582349886 164.930 > 1 3 Ho 0.29571925301972 0.62500000000000 0.96353582349886 164.930 > 1 4 Ho 0.79571925301972 0.62500000000000 0.96353582349886 164.930 > 1 5 Ho 0.20428074698028 0.37500000000000 0.03646417650115 164.930 > 5 6 Ho 0.70428074698028 0.37500000000000 0.03646417650115 164.930 > 5 7 Ho 0.20428074698028 0.87500000000000 0.03646417650115 164.930 > 5 8 Ho 0.70428074698028 0.87500000000000 0.03646417650115 164.930 > 5 9 Ho 0.45428074698028 0.37500000000000 0.46353582349886 164.930 > 9 10 Ho 0.95428074698028 0.37500000000000 0.46353582349886 164.930 > 9 11 Ho 0.45428074698028 0.87500000000000 0.46353582349886 164.930 > 9 12 Ho 0.95428074698028 0.87500000000000 0.46353582349886 164.930 > 9 13 Ho 0.04571925301972 0.12500000000000 0.53646417650114 164.930 > 13 14 Ho 0.54571925301972 0.12500000000000 0.53646417650114 164.930 > 13 15 Ho 0.04571925301972 0.62500000000000 0.53646417650114 164.930 > 13 16 Ho 0.54571925301972 0.62500000000000 0.53646417650114 164.930 > 13 17 Te 0.41296181485956 0.37500000000000 0.86983296168804 127.600 > 17 18 Te 0.91296181485956 0.37500000000000 0.86983296168804 127.600 > 17 19 Te 0.41296181485956 0.87500000000000 0.86983296168804 127.600 > 17 20 Te 0.91296181485956 0.87500000000000 0.86983296168804 127.600 > 17 21 Te 0.33703818514044 0.12500000000000 0.36983296168804 127.600 > 21 22 Te 0.83703818514044 0.12500000000000 0.36983296168804 127.600 > 21 23 Te 0.33703818514044 0.62500000000000 0.36983296168804 127.600 > 21 24 Te 0.83703818514044 0.62500000000000 0.36983296168804 127.600 > 21 25 Te 0.16296181485956 0.37500000000000 0.63016703831196 127.600 > 25 26 Te 0.66296181485956 0.37500000000000 0.63016703831196 127.600 > 25 27 Te 0.16296181485956 0.87500000000000 0.63016703831196 127.600 > 25 28 Te 0.66296181485956 0.87500000000000 0.63016703831196 127.600 > 25 29 Te 0.08703818514044 0.12500000000000 0.13016703831196 127.600 > 29 30 Te 0.58703818514044 0.12500000000000 0.13016703831196 127.600 > 29 31 Te 0.08703818514044 0.62500000000000 0.13016703831196 127.600 > 29 32 Te 0.58703818514044 0.62500000000000 0.13016703831196 127.600 > 29 33 Cl 0.46872038246647 0.12500000000000 0.81673097715281 35.453 > 33 34 Cl 0.96872038246647 0.12500000000000 0.81673097715281 35.453 > 33 35 Cl 0.46872038246647 0.62500000000000 0.81673097715281 35.453 > 33 36 Cl 0.96872038246647 0.62500000000000 0.81673097715281 35.453 > 33 37 Cl 0.21872038246647 0.12500000000000 0.68326902284719 35.453 > 37 38 Cl 0.71872038246647 0.12500000000000 0.68326902284719 35.453 > 37 39 Cl 0.21872038246647 0.62500000000000 0.68326902284719 35.453 > 37 40 Cl 0.71872038246647 0.62500000000000 0.68326902284719 35.453 > 37 41 Cl 0.28127961753353 0.37500000000000 0.31673097715281 35.453 > 41 42 Cl 0.78127961753353 0.37500000000000 0.31673097715281 35.453 > 41 43 Cl 0.28127961753353 0.87500000000000 0.31673097715281 35.453 > 41 44 Cl 0.78127961753353 0.87500000000000 0.31673097715281 35.453 > 41 45 Cl 0.03127961753353 0.37500000000000 0.18326902284719 35.453 > 45 46 Cl 0.53127961753353 0.37500000000000 0.18326902284719 35.453 > 45 47 Cl 0.03127961753353 0.87500000000000 0.18326902284719 35.453 > 45 48 Cl 0.53127961753353 0.87500000000000 0.18326902284719 35.453 > 45 49 O 0.37098788711811 0.12500000000000 0.17048062155011 15.999 > 49 50 O 0.87098788711811 0.12500000000000 0.17048062155011 15.999 > 49 51 O 0.37098788711811 0.62500000000000 0.17048062155011 15.999 > 49 52 O 0.87098788711811 0.62500000000000 0.17048062155011 15.999 > 49 53 O 0.37901211288189 0.37500000000000 0.67048062155011 15.999 > 53 54 O 0.87901211288189 0.37500000000000 0.67048062155011 15.999 > 53 55 O 0.37901211288189 0.87500000000000 0.67048062155011 15.999 > 53 56 O 0.87901211288189 0.87500000000000 0.67048062155011 15.999 > 53 57 O 0.32426454575507 0.28265996150382 0.93733056654822 15.999 > 57 58 O 0.82426454575507 0.28265996150382 0.93733056654822 15.999 > 57 59 O 0.32426454575507 0.78265996150382 0.93733056654822 15.999 > 57 60 O 0.82426454575507 0.78265996150382 0.93733056654822 15.999 > 57 61 O 0.32426454575507 0.46734003849618 0.93733056654822 15.999 > 61 62 O 0.82426454575507 0.46734003849618 0.93733056654822 15.999 > 61 63 O 0.32426454575507 0.96734003849618 0.93733056654822 15.999 > 61 64 O 0.82426454575507 0.96734003849618 0.93733056654822 15.999 > 61 65 O 0.17573545424493 0.21734003849618 0.06266943345178 15.999 > 65 66 O 0.67573545424493 0.21734003849618 0.06266943345178 15.999 > 65 67 O 0.17573545424493 0.71734003849618 0.06266943345178 15.999 > 65 68 O 0.67573545424493 0.71734003849618 0.06266943345178 15.999 > 65 69 O 0.17573545424493 0.03265996150381 0.06266943345178 15.999 > 69 70 O 0.67573545424493 0.03265996150381 0.06266943345178 15.999 > 69 71 O 0.17573545424493 0.53265996150382 0.06266943345178 15.999 > 69 72 O 0.67573545424493 0.53265996150382 0.06266943345178 15.999 > 69 73 O 0.42573545424493 0.21734003849618 0.43733056654822 15.999 > 73 74 O 0.92573545424493 0.21734003849618 0.43733056654822 15.999 > 73 75 O 0.42573545424493 0.71734003849618 0.43733056654822 15.999 > 73 76 O 0.92573545424493 0.71734003849618 0.43733056654822 15.999 > 73 77 O 0.07426454575507 0.28265996150382 0.56266943345178 15.999 > 77 78 O 0.57426454575507 0.28265996150382 0.56266943345178 15.999 > 77 79 O 0.07426454575507 0.78265996150382 0.56266943345178 15.999 > 77 80 O 0.57426454575507 0.78265996150382 0.56266943345178 15.999 > 77 81 O 0.07426454575507 0.46734003849618 0.56266943345178 15.999 > 81 82 O 0.57426454575507 0.46734003849618 0.56266943345178 15.999 > 81 83 O 0.07426454575507 0.96734003849618 0.56266943345178 15.999 > 81 84 O 0.57426454575507 0.96734003849618 0.56266943345178 15.999 > 81 85 O 0.12901211288188 0.37500000000000 0.82951937844989 15.999 > 85 86 O 0.62901211288188 0.37500000000000 0.82951937844989 15.999 > 85 87 O 0.12901211288188 0.87500000000000 0.82951937844989 15.999 > 85 88 O 0.62901211288188 0.87500000000000 0.82951937844989 15.999 > 85 89 O 0.12098788711812 0.12500000000000 0.32951937844989 15.999 > 89 90 O 0.62098788711812 0.12500000000000 0.32951937844989 15.999 > 89 91 O 0.12098788711812 0.62500000000000 0.32951937844989 15.999 > 89 92 O 0.62098788711812 0.62500000000000 0.32951937844989 15.999 > 89 93 O 0.42573545424493 0.03265996150381 0.43733056654822 15.999 > 93 94 O 0.92573545424493 0.03265996150381 0.43733056654822 15.999 > 93 95 O 0.42573545424493 0.53265996150382 0.43733056654822 15.999 > 93 96 O 0.92573545424493 0.53265996150382 0.43733056654822 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6164788 0.0000000 0.0000000 0.0000000 3.8428276 0.0000000 0.0000000 0.0000000 4.0344584 -------------------------- Born effective charges -------------------------- 1 Ho 3.7114699 0.0000000 0.1283648 0.0000000 4.2768443 0.0000000 0.2606126 0.0000000 4.3997294 2 Ho 3.7114699 0.0000000 0.1283648 0.0000000 4.2768443 0.0000000 0.2606126 0.0000000 4.3997294 3 Ho 3.7114699 0.0000000 -0.1283648 0.0000000 4.2768443 0.0000000 -0.2606126 0.0000000 4.3997294 4 Ho 3.7114699 0.0000000 -0.1283648 0.0000000 4.2768443 0.0000000 -0.2606126 0.0000000 4.3997294 5 Te 3.0631287 0.0000000 -0.4035580 0.0000000 3.3227063 0.0000000 -0.4404763 0.0000000 3.7703129 6 Te 3.0631287 0.0000000 0.4035580 0.0000000 3.3227063 0.0000000 0.4404763 0.0000000 3.7703129 7 Te 3.0631287 0.0000000 0.4035580 0.0000000 3.3227063 0.0000000 0.4404763 0.0000000 3.7703129 8 Te 3.0631287 0.0000000 -0.4035580 0.0000000 3.3227063 0.0000000 -0.4404763 0.0000000 3.7703129 9 Cl -1.3727072 0.0000000 0.3415567 0.0000000 -1.0763518 0.0000000 0.3579754 0.0000000 -1.7992900 10 Cl -1.3727072 0.0000000 -0.3415567 0.0000000 -1.0763518 0.0000000 -0.3579754 0.0000000 -1.7992900 11 Cl -1.3727072 0.0000000 -0.3415567 0.0000000 -1.0763518 0.0000000 -0.3579754 0.0000000 -1.7992900 12 Cl -1.3727072 0.0000000 0.3415567 0.0000000 -1.0763518 0.0000000 0.3579754 0.0000000 -1.7992900 13 O -1.4920898 0.0000000 -0.6622775 0.0000000 -0.8410648 0.0000000 -0.0014187 0.0000000 -3.7436394 14 O -1.4920898 0.0000000 0.6622775 0.0000000 -0.8410648 0.0000000 0.0014187 0.0000000 -3.7436394 15 O -1.9549008 -0.2735863 0.4222712 -0.7769684 -2.8410670 0.2595023 0.8177698 0.5177141 -1.3135565 16 O -1.9549008 0.2735863 0.4222712 0.7769684 -2.8410670 -0.2595023 0.8177698 -0.5177141 -1.3135565 17 O -1.9549008 -0.2735863 0.4222712 -0.7769684 -2.8410670 0.2595023 0.8177698 0.5177141 -1.3135565 18 O -1.9549008 0.2735863 0.4222712 0.7769684 -2.8410670 -0.2595023 0.8177698 -0.5177141 -1.3135565 19 O -1.9549008 -0.2735863 -0.4222712 -0.7769684 -2.8410670 -0.2595023 -0.8177698 -0.5177141 -1.3135565 20 O -1.9549008 -0.2735863 -0.4222712 -0.7769684 -2.8410670 -0.2595023 -0.8177698 -0.5177141 -1.3135565 21 O -1.9549008 0.2735863 -0.4222712 0.7769684 -2.8410670 0.2595023 -0.8177698 0.5177141 -1.3135565 22 O -1.4920898 0.0000000 -0.6622775 0.0000000 -0.8410648 0.0000000 -0.0014187 0.0000000 -3.7436394 23 O -1.4920898 0.0000000 0.6622775 0.0000000 -0.8410648 0.0000000 0.0014187 0.0000000 -3.7436394 24 O -1.9549008 0.2735863 -0.4222712 0.7769684 -2.8410670 0.2595023 -0.8177698 0.5177141 -1.3135565 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 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: 0.54, Number of G-points: 289, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.243 ( 0.000 0.000 0.000) 0.000 1.344 ( 0.000 0.000 0.000) 0.000 1.459 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 1.697 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 5.118 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.373 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 7.777 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.309 ( 0.000 0.000 0.000) 0.000 10.009 ( 0.000 0.000 0.000) 0.000 10.086 ( 0.000 0.000 0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 11.504 ( 0.000 0.000 0.000) 0.000 11.615 ( 0.000 0.000 0.000) 0.000 13.551 ( 0.000 0.000 0.000) 0.000 13.934 ( 0.000 0.000 0.000) 0.000 14.420 ( 0.000 0.000 0.000) 0.000 14.521 ( 0.000 0.000 0.000) 0.000 19.297 ( 0.000 0.000 0.000) 0.000 19.312 ( 0.000 0.000 0.000) 0.000 20.575 ( 0.000 0.000 0.000) 0.000 20.630 ( 0.000 0.000 0.000) 0.000 20.705 ( 0.000 0.000 0.000) 0.000 21.452 ( 0.000 0.000 0.000) 0.000 22.289 ( 0.000 0.000 0.000) 0.000 23.407 ( 0.000 0.000 0.000) 0.000 23.683 ( 0.000 0.000 0.000) 0.000 23.878 ( 0.000 0.000 0.000) 0.000 23.916 ( 0.000 0.000 0.000) 0.000 24.265 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.136 ( 7.282 0.000 0.000) 7.282 0.315 ( 5.999 0.000 0.000) 5.999 0.460 ( 22.566 0.000 0.000) 22.566 0.590 ( 28.325 0.000 0.000) 28.325 1.340 ( -0.316 0.000 0.000) 0.316 1.478 ( 1.788 0.000 0.000) 1.788 1.678 ( -1.980 0.000 0.000) 1.980 1.686 ( -0.138 0.000 0.000) 0.138 1.724 ( -7.096 0.000 0.000) 7.096 1.759 ( 4.597 0.000 0.000) 4.597 1.825 ( -4.552 0.000 0.000) 4.552 2.043 ( 6.232 0.000 0.000) 6.232 2.317 ( -5.040 0.000 0.000) 5.040 2.389 ( 5.362 0.000 0.000) 5.362 2.558 ( 1.502 0.000 0.000) 1.502 2.649 ( 3.945 0.000 0.000) 3.945 2.935 ( 4.109 0.000 0.000) 4.109 3.034 ( 5.779 0.000 0.000) 5.779 3.129 ( 8.153 0.000 0.000) 8.153 3.157 ( -5.711 0.000 0.000) 5.711 3.265 ( 4.597 0.000 0.000) 4.597 3.375 ( 1.936 0.000 0.000) 1.936 3.761 ( -2.822 0.000 0.000) 2.822 3.899 ( 0.747 0.000 0.000) 0.747 3.970 ( 2.877 0.000 0.000) 2.877 3.980 ( -8.078 0.000 0.000) 8.078 4.124 ( -1.806 0.000 0.000) 1.806 4.268 ( 5.715 0.000 0.000) 5.715 4.373 ( 0.857 0.000 0.000) 0.857 5.100 ( -1.515 0.000 0.000) 1.515 5.314 ( -2.812 0.000 0.000) 2.812 5.369 ( 0.864 0.000 0.000) 0.864 5.627 ( -7.460 0.000 0.000) 7.460 5.704 ( -3.003 0.000 0.000) 3.003 5.797 ( 2.403 0.000 0.000) 2.403 5.849 ( -0.775 0.000 0.000) 0.775 6.070 ( -0.039 0.000 0.000) 0.039 6.122 ( -5.000 0.000 0.000) 5.000 6.183 ( 1.328 0.000 0.000) 1.328 6.264 ( 1.884 0.000 0.000) 1.884 6.365 ( 0.202 0.000 0.000) 0.202 6.808 ( -2.112 0.000 0.000) 2.112 6.838 ( 4.748 0.000 0.000) 4.748 7.047 ( 4.768 0.000 0.000) 4.768 7.401 ( -3.666 0.000 0.000) 3.666 7.696 ( -2.676 0.000 0.000) 2.676 7.836 ( 5.663 0.000 0.000) 5.663 8.552 ( -2.705 0.000 0.000) 2.705 9.185 ( 0.089 0.000 0.000) 0.089 9.297 ( -1.143 0.000 0.000) 1.143 10.015 ( 0.566 0.000 0.000) 0.566 10.086 ( -0.076 0.000 0.000) 0.076 10.865 ( 6.128 0.000 0.000) 6.128 11.502 ( -0.346 0.000 0.000) 0.346 11.630 ( 1.564 0.000 0.000) 1.564 12.183 ( -3.799 0.000 0.000) 3.799 13.559 ( 0.800 0.000 0.000) 0.800 13.889 ( -4.105 0.000 0.000) 4.105 14.574 ( 4.983 0.000 0.000) 4.983 15.366 ( -4.951 0.000 0.000) 4.951 19.301 ( 0.341 0.000 0.000) 0.341 19.314 ( 0.219 0.000 0.000) 0.219 20.576 ( 0.113 0.000 0.000) 0.113 20.625 ( -0.413 0.000 0.000) 0.413 20.740 ( 3.459 0.000 0.000) 3.459 21.421 ( -3.088 0.000 0.000) 3.088 22.517 ( 3.292 0.000 0.000) 3.292 23.509 ( -12.923 0.000 0.000) 12.923 23.766 ( -4.326 0.000 0.000) 4.326 23.827 ( -2.686 0.000 0.000) 2.686 24.075 ( 9.258 0.000 0.000) 9.258 24.301 ( 2.969 0.000 0.000) 2.969 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 7.741 0.000 0.000) 7.741 0.433 ( 4.921 0.000 0.000) 4.921 0.884 ( 19.495 0.000 0.000) 19.495 1.097 ( 21.346 0.000 0.000) 21.346 1.336 ( 0.149 0.000 0.000) 0.149 1.521 ( 2.264 0.000 0.000) 2.264 1.572 ( -7.544 0.000 0.000) 7.544 1.623 ( -3.147 0.000 0.000) 3.147 1.682 ( -0.267 0.000 0.000) 0.267 1.720 ( -5.318 0.000 0.000) 5.318 1.869 ( 5.889 0.000 0.000) 5.889 2.196 ( -6.774 0.000 0.000) 6.774 2.212 ( 10.271 0.000 0.000) 10.271 2.501 ( 5.464 0.000 0.000) 5.464 2.581 ( 0.396 0.000 0.000) 0.396 2.766 ( 7.469 0.000 0.000) 7.469 2.998 ( -9.944 0.000 0.000) 9.944 3.009 ( 2.404 0.000 0.000) 2.404 3.168 ( 6.442 0.000 0.000) 6.442 3.303 ( 7.166 0.000 0.000) 7.166 3.374 ( 6.229 0.000 0.000) 6.229 3.442 ( 4.948 0.000 0.000) 4.948 3.691 ( -3.798 0.000 0.000) 3.798 3.804 ( -8.513 0.000 0.000) 8.513 3.914 ( 0.502 0.000 0.000) 0.502 4.044 ( -5.608 0.000 0.000) 5.608 4.048 ( 4.773 0.000 0.000) 4.773 4.308 ( -1.785 0.000 0.000) 1.785 4.512 ( 12.619 0.000 0.000) 12.619 5.077 ( -0.213 0.000 0.000) 0.213 5.249 ( -3.489 0.000 0.000) 3.489 5.398 ( 2.099 0.000 0.000) 2.099 5.422 ( -12.849 0.000 0.000) 12.849 5.625 ( -4.587 0.000 0.000) 4.587 5.839 ( -0.050 0.000 0.000) 0.050 5.859 ( 3.592 0.000 0.000) 3.592 6.013 ( -5.572 0.000 0.000) 5.572 6.056 ( -1.602 0.000 0.000) 1.602 6.208 ( 0.964 0.000 0.000) 0.964 6.266 ( -1.165 0.000 0.000) 1.165 6.419 ( 4.805 0.000 0.000) 4.805 6.747 ( -3.973 0.000 0.000) 3.973 6.949 ( 6.050 0.000 0.000) 6.050 7.175 ( 7.697 0.000 0.000) 7.697 7.305 ( -5.590 0.000 0.000) 5.590 7.618 ( -5.159 0.000 0.000) 5.159 7.985 ( 8.725 0.000 0.000) 8.725 8.471 ( -5.430 0.000 0.000) 5.430 9.190 ( 0.466 0.000 0.000) 0.466 9.267 ( -1.734 0.000 0.000) 1.734 10.031 ( 0.971 0.000 0.000) 0.971 10.082 ( -0.365 0.000 0.000) 0.365 11.028 ( 9.575 0.000 0.000) 9.575 11.476 ( -2.704 0.000 0.000) 2.704 11.684 ( 3.973 0.000 0.000) 3.973 12.077 ( -6.617 0.000 0.000) 6.617 13.583 ( 1.692 0.000 0.000) 1.692 13.792 ( -5.095 0.000 0.000) 5.095 14.702 ( 7.575 0.000 0.000) 7.575 15.231 ( -8.246 0.000 0.000) 8.246 19.310 ( 0.478 0.000 0.000) 0.478 19.319 ( 0.223 0.000 0.000) 0.223 20.580 ( 0.295 0.000 0.000) 0.295 20.614 ( -0.671 0.000 0.000) 0.671 20.841 ( 6.648 0.000 0.000) 6.648 21.327 ( -6.338 0.000 0.000) 6.338 22.615 ( 6.465 0.000 0.000) 6.465 23.240 ( -13.464 0.000 0.000) 13.464 23.684 ( -3.190 0.000 0.000) 3.190 23.762 ( -3.698 0.000 0.000) 3.698 24.235 ( 6.577 0.000 0.000) 6.577 24.356 ( 2.019 0.000 0.000) 2.019 ======================= Grid point 3 (4/64) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 5.470 0.000 0.000) 5.470 0.485 ( -0.134 0.000 0.000) 0.134 1.213 ( 12.831 0.000 0.000) 12.831 1.353 ( 1.396 0.000 0.000) 1.396 1.358 ( 2.336 0.000 0.000) 2.336 1.437 ( -5.564 0.000 0.000) 5.564 1.569 ( 2.511 0.000 0.000) 2.511 1.604 ( 3.163 0.000 0.000) 3.163 1.629 ( -3.703 0.000 0.000) 3.703 1.669 ( -1.602 0.000 0.000) 1.602 1.972 ( 4.308 0.000 0.000) 4.308 2.065 ( -5.732 0.000 0.000) 5.732 2.427 ( 10.201 0.000 0.000) 10.201 2.560 ( -3.029 0.000 0.000) 3.029 2.609 ( 6.000 0.000 0.000) 6.000 2.781 ( -10.964 0.000 0.000) 10.964 2.921 ( 7.130 0.000 0.000) 7.130 3.016 ( -1.987 0.000 0.000) 1.987 3.261 ( 3.458 0.000 0.000) 3.458 3.334 ( -3.069 0.000 0.000) 3.069 3.516 ( 6.606 0.000 0.000) 6.606 3.564 ( 6.552 0.000 0.000) 6.552 3.617 ( -3.776 0.000 0.000) 3.776 3.677 ( -4.699 0.000 0.000) 4.699 3.914 ( -0.244 0.000 0.000) 0.244 3.939 ( -3.686 0.000 0.000) 3.686 4.150 ( 5.194 0.000 0.000) 5.194 4.246 ( -4.157 0.000 0.000) 4.157 4.806 ( 16.114 0.000 0.000) 16.114 5.105 ( 2.869 0.000 0.000) 2.869 5.131 ( -15.927 0.000 0.000) 15.927 5.176 ( -3.864 0.000 0.000) 3.864 5.454 ( 3.450 0.000 0.000) 3.450 5.533 ( -4.418 0.000 0.000) 4.418 5.855 ( 1.818 0.000 0.000) 1.818 5.914 ( -3.958 0.000 0.000) 3.958 5.934 ( 3.659 0.000 0.000) 3.659 6.006 ( -3.245 0.000 0.000) 3.245 6.223 ( 0.680 0.000 0.000) 0.680 6.241 ( -1.178 0.000 0.000) 1.178 6.532 ( 6.158 0.000 0.000) 6.158 6.651 ( -5.548 0.000 0.000) 5.548 7.070 ( 5.995 0.000 0.000) 5.995 7.189 ( -5.937 0.000 0.000) 5.937 7.338 ( 8.274 0.000 0.000) 8.274 7.494 ( -7.180 0.000 0.000) 7.180 8.167 ( 9.151 0.000 0.000) 9.151 8.338 ( -7.796 0.000 0.000) 7.796 9.205 ( 1.084 0.000 0.000) 1.084 9.232 ( -1.634 0.000 0.000) 1.634 10.051 ( 1.053 0.000 0.000) 1.053 10.070 ( -0.784 0.000 0.000) 0.784 11.223 ( 9.431 0.000 0.000) 9.431 11.385 ( -6.491 0.000 0.000) 6.491 11.789 ( 6.454 0.000 0.000) 6.454 11.932 ( -7.580 0.000 0.000) 7.580 13.628 ( 2.834 0.000 0.000) 2.834 13.698 ( -4.195 0.000 0.000) 4.195 14.868 ( 8.923 0.000 0.000) 8.923 15.052 ( -9.370 0.000 0.000) 9.370 19.318 ( 0.332 0.000 0.000) 0.332 19.322 ( -0.019 0.000 0.000) 0.019 20.588 ( 0.528 0.000 0.000) 0.528 20.600 ( -0.696 0.000 0.000) 0.696 20.998 ( 8.730 0.000 0.000) 8.730 21.175 ( -8.652 0.000 0.000) 8.652 22.773 ( 9.378 0.000 0.000) 9.378 22.986 ( -11.860 0.000 0.000) 11.860 23.655 ( 0.324 0.000 0.000) 0.324 23.691 ( -3.057 0.000 0.000) 3.057 24.334 ( 3.405 0.000 0.000) 3.405 24.372 ( -0.462 0.000 0.000) 0.462 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.243 ( 0.000 15.319 0.000) 15.319 0.382 ( 0.000 19.221 0.000) 19.221 0.859 ( 0.000 31.044 0.000) 31.044 1.046 ( 0.000 47.144 0.000) 47.144 1.518 ( 0.000 8.526 0.000) 8.526 1.625 ( 0.000 0.465 0.000) 0.465 1.641 ( 0.000 -3.585 0.000) 3.585 1.652 ( 0.000 6.442 0.000) 6.442 1.735 ( 0.000 4.623 0.000) 4.623 1.934 ( 0.000 9.925 0.000) 9.925 2.016 ( 0.000 12.972 0.000) 12.972 2.145 ( 0.000 -4.318 0.000) 4.318 2.358 ( 0.000 -15.973 0.000) 15.973 2.482 ( 0.000 11.893 0.000) 11.893 2.731 ( 0.000 15.781 0.000) 15.781 2.906 ( 0.000 2.018 0.000) 2.018 2.942 ( 0.000 6.135 0.000) 6.135 2.958 ( 0.000 -0.880 0.000) 0.880 3.036 ( 0.000 -0.767 0.000) 0.767 3.069 ( 0.000 4.676 0.000) 4.676 3.266 ( 0.000 5.149 0.000) 5.149 3.289 ( 0.000 -5.175 0.000) 5.175 3.793 ( 0.000 0.291 0.000) 0.291 3.876 ( 0.000 -1.406 0.000) 1.406 3.899 ( 0.000 -11.814 0.000) 11.814 3.967 ( 0.000 1.442 0.000) 1.442 4.020 ( 0.000 -7.162 0.000) 7.162 4.258 ( 0.000 3.482 0.000) 3.482 4.761 ( 0.000 -0.002 0.000) 0.002 4.999 ( 0.000 -11.960 0.000) 11.960 5.199 ( 0.000 -12.067 0.000) 12.067 5.445 ( 0.000 -18.864 0.000) 18.864 5.464 ( 0.000 10.234 0.000) 10.234 5.608 ( 0.000 5.866 0.000) 5.866 5.720 ( 0.000 2.370 0.000) 2.370 5.825 ( 0.000 1.034 0.000) 1.034 5.839 ( 0.000 -1.764 0.000) 1.764 6.081 ( 0.000 -0.403 0.000) 0.403 6.296 ( 0.000 5.271 0.000) 5.271 6.297 ( 0.000 -1.486 0.000) 1.486 6.327 ( 0.000 4.040 0.000) 4.040 6.764 ( 0.000 -1.945 0.000) 1.945 6.830 ( 0.000 0.089 0.000) 0.089 7.031 ( 0.000 3.354 0.000) 3.354 7.234 ( 0.000 -8.293 0.000) 8.293 7.736 ( 0.000 -3.889 0.000) 3.889 7.855 ( 0.000 10.002 0.000) 10.002 8.620 ( 0.000 -2.294 0.000) 2.294 9.391 ( 0.000 7.509 0.000) 7.509 10.016 ( 0.000 0.660 0.000) 0.660 10.093 ( 0.000 0.311 0.000) 0.311 10.126 ( 0.000 -0.546 0.000) 0.546 10.816 ( 0.000 1.429 0.000) 1.429 11.003 ( 0.000 0.578 0.000) 0.578 11.512 ( 0.000 0.770 0.000) 0.770 11.613 ( 0.000 -0.272 0.000) 0.272 13.560 ( 0.000 0.979 0.000) 0.979 13.936 ( 0.000 0.271 0.000) 0.271 14.331 ( 0.000 -8.108 0.000) 8.108 14.449 ( 0.000 -6.482 0.000) 6.482 19.415 ( 0.000 9.556 0.000) 9.556 20.541 ( 0.000 -3.267 0.000) 3.267 20.736 ( 0.000 9.681 0.000) 9.681 20.911 ( 0.000 19.198 0.000) 19.198 21.447 ( 0.000 -0.485 0.000) 0.485 22.071 ( 0.000 2.338 0.000) 2.338 22.293 ( 0.000 0.409 0.000) 0.409 23.398 ( 0.000 -0.539 0.000) 0.539 23.628 ( 0.000 -6.444 0.000) 6.444 23.848 ( 0.000 -5.288 0.000) 5.288 23.867 ( 0.000 -1.069 0.000) 1.069 24.202 ( 0.000 -6.046 0.000) 6.046 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 21.013 4.735 0.000) 21.540 0.586 ( 16.479 11.620 0.000) 20.164 0.900 ( 3.770 31.052 0.000) 31.280 1.068 ( 2.459 44.867 0.000) 44.934 1.501 ( -1.460 6.434 0.000) 6.597 1.617 ( -0.840 4.022 0.000) 4.109 1.654 ( -4.889 7.399 0.000) 8.868 1.678 ( 1.407 6.021 0.000) 6.183 1.698 ( 4.984 -4.253 0.000) 6.552 1.841 ( -8.821 5.318 0.000) 10.300 2.007 ( -0.835 14.194 0.000) 14.218 2.113 ( 2.866 1.789 0.000) 3.379 2.354 ( 0.225 -4.289 0.000) 4.295 2.505 ( 0.676 11.654 0.000) 11.674 2.729 ( -0.150 14.265 0.000) 14.266 2.826 ( -1.913 13.879 0.000) 14.010 2.940 ( 3.106 0.846 0.000) 3.219 3.030 ( 6.140 0.125 0.000) 6.141 3.149 ( 7.885 1.870 0.000) 8.103 3.193 ( 8.053 -3.841 0.000) 8.922 3.211 ( -4.861 4.976 0.000) 6.956 3.317 ( 2.539 -4.057 0.000) 4.786 3.765 ( -2.782 0.446 0.000) 2.817 3.853 ( -1.383 -2.885 0.000) 3.199 3.897 ( -5.724 -7.120 0.000) 9.136 3.911 ( -2.586 -10.642 0.000) 10.952 4.016 ( 4.021 2.067 0.000) 4.521 4.275 ( 2.417 0.473 0.000) 2.463 4.630 ( -5.827 9.402 0.000) 11.061 4.978 ( -1.934 -12.199 0.000) 12.351 5.235 ( 1.465 -12.323 0.000) 12.410 5.390 ( -2.648 8.048 0.000) 8.473 5.434 ( -1.145 -18.333 0.000) 18.369 5.660 ( -5.715 3.734 0.000) 6.827 5.833 ( -0.276 -1.471 0.000) 1.497 5.840 ( 1.415 0.893 0.000) 1.673 5.939 ( 14.628 -8.179 0.000) 16.759 6.080 ( -0.280 -0.661 0.000) 0.718 6.216 ( -6.023 4.720 0.000) 7.652 6.281 ( -1.796 -1.970 0.000) 2.666 6.367 ( 3.020 3.816 0.000) 4.866 6.800 ( 3.221 -3.221 0.000) 4.555 6.807 ( -2.155 0.045 0.000) 2.155 7.096 ( 6.198 4.529 0.000) 7.676 7.223 ( -1.747 -9.909 0.000) 10.062 7.798 ( 5.923 -3.633 0.000) 6.948 7.831 ( -2.682 9.662 0.000) 10.027 8.575 ( -4.067 -1.062 0.000) 4.204 9.381 ( -0.958 7.682 0.000) 7.742 9.556 ( -18.724 18.731 0.000) 26.485 10.080 ( 0.006 5.340 0.000) 5.340 10.094 ( 0.120 0.470 0.000) 0.485 10.875 ( 6.183 1.050 0.000) 6.271 11.510 ( -0.376 0.734 0.000) 0.825 11.626 ( 1.372 -0.433 0.000) 1.439 11.676 ( 25.388 -27.917 0.000) 37.735 13.567 ( 0.780 0.957 0.000) 1.234 13.894 ( -3.870 0.536 0.000) 3.907 14.493 ( 4.024 -7.356 0.000) 8.385 14.597 ( 17.251 -29.014 0.000) 33.755 19.425 ( 0.935 10.146 0.000) 10.189 20.565 ( -32.465 28.712 0.000) 43.340 20.565 ( 2.390 -2.377 0.000) 3.371 20.921 ( 1.056 18.179 0.000) 18.209 20.940 ( -29.308 41.796 0.000) 51.048 21.427 ( -3.482 1.386 0.000) 3.748 22.501 ( 4.920 -1.516 0.000) 5.148 23.463 ( -12.380 -5.094 0.000) 13.387 23.598 ( 4.961 -10.119 0.000) 11.270 23.800 ( -2.568 -2.476 0.000) 3.567 24.017 ( 8.754 -5.060 0.000) 10.111 24.226 ( 2.512 -6.655 0.000) 7.113 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 11.593 13.392 0.000) 17.713 0.927 ( 14.818 10.758 0.000) 18.312 0.997 ( 6.992 26.423 0.000) 27.333 1.161 ( 7.116 27.174 0.000) 28.090 1.467 ( -1.936 3.199 0.000) 3.739 1.588 ( -1.142 0.874 0.000) 1.438 1.589 ( -1.737 7.987 0.000) 8.174 1.671 ( -6.284 8.120 0.000) 10.268 1.733 ( 1.743 11.529 0.000) 11.660 1.818 ( 6.518 -3.354 0.000) 7.330 1.986 ( -1.298 15.838 0.000) 15.891 2.158 ( -1.398 -1.007 0.000) 1.723 2.389 ( 5.731 8.901 0.000) 10.587 2.552 ( 4.043 7.102 0.000) 8.172 2.723 ( -0.705 12.457 0.000) 12.477 2.864 ( 4.473 9.009 0.000) 10.059 2.990 ( -0.124 -0.940 0.000) 0.948 3.048 ( -6.217 4.021 0.000) 7.405 3.200 ( 6.012 3.639 0.000) 7.027 3.306 ( 5.996 -0.193 0.000) 5.999 3.365 ( 9.133 -0.090 0.000) 9.134 3.397 ( 5.525 -3.538 0.000) 6.561 3.694 ( -3.745 0.476 0.000) 3.775 3.758 ( -6.056 -5.593 0.000) 8.244 3.829 ( -1.329 -5.107 0.000) 5.277 3.847 ( -5.236 -9.248 0.000) 10.627 4.110 ( 5.141 2.505 0.000) 5.719 4.358 ( 3.577 -3.548 0.000) 5.039 4.559 ( 0.030 4.435 0.000) 4.435 4.931 ( -2.688 -13.564 0.000) 13.828 5.265 ( 1.767 -12.032 0.000) 12.161 5.346 ( -1.914 9.236 0.000) 9.433 5.400 ( -2.151 -16.424 0.000) 16.564 5.510 ( -8.658 7.406 0.000) 11.393 5.834 ( 0.646 -0.592 0.000) 0.877 5.878 ( 2.360 0.203 0.000) 2.369 6.060 ( -1.802 -0.462 0.000) 1.860 6.083 ( -6.782 3.717 0.000) 7.734 6.115 ( 4.656 -5.735 0.000) 7.387 6.241 ( -2.080 -2.253 0.000) 3.066 6.445 ( 4.799 2.604 0.000) 5.460 6.748 ( -3.725 0.124 0.000) 3.727 6.879 ( 4.489 -5.398 0.000) 7.020 7.161 ( -4.094 -9.599 0.000) 10.435 7.254 ( 9.033 6.383 0.000) 11.061 7.746 ( -5.682 9.366 0.000) 10.955 7.953 ( 9.088 -3.069 0.000) 9.592 8.471 ( -6.336 -0.995 0.000) 6.413 9.356 ( -1.435 8.116 0.000) 8.241 9.358 ( -4.305 13.192 0.000) 13.877 10.084 ( 0.308 4.362 0.000) 4.373 10.096 ( 0.064 0.993 0.000) 0.995 11.039 ( 9.647 1.181 0.000) 9.719 11.484 ( -2.643 0.761 0.000) 2.750 11.672 ( 3.368 -1.126 0.000) 3.551 11.899 ( 1.797 -14.596 0.000) 14.706 13.592 ( 1.758 0.975 0.000) 2.011 13.802 ( -4.910 0.977 0.000) 5.006 14.593 ( 5.665 -9.849 0.000) 11.362 14.809 ( 3.994 -29.099 0.000) 29.372 19.453 ( 2.019 12.163 0.000) 12.330 19.910 ( -21.931 40.147 0.000) 45.747 20.628 ( 3.659 1.015 0.000) 3.797 20.787 ( -2.189 16.444 0.000) 16.589 20.960 ( 3.110 14.479 0.000) 14.809 21.333 ( -6.058 1.217 0.000) 6.179 22.606 ( 6.242 -1.068 0.000) 6.333 23.204 ( -12.960 -3.863 0.000) 13.523 23.614 ( -0.790 -5.592 0.000) 5.647 23.736 ( -3.715 -2.282 0.000) 4.360 24.169 ( 6.273 -6.094 0.000) 8.746 24.278 ( 2.122 -7.165 0.000) 7.473 ======================= Grid point 10 (8/64) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 2.865 30.637 0.000) 30.771 1.045 ( 2.047 31.902 0.000) 31.968 1.247 ( 11.057 4.162 0.000) 11.814 1.294 ( 4.352 4.964 0.000) 6.602 1.433 ( -0.434 1.022 0.000) 1.110 1.529 ( -7.714 4.376 0.000) 8.868 1.562 ( -0.561 9.094 0.000) 9.111 1.572 ( -1.101 4.210 0.000) 4.352 1.819 ( 6.215 14.026 0.000) 15.341 1.918 ( -0.786 4.724 0.000) 4.789 1.966 ( 2.976 9.326 0.000) 9.789 2.073 ( -5.655 1.500 0.000) 5.850 2.569 ( 10.159 11.383 0.000) 15.257 2.646 ( 5.473 4.043 0.000) 6.804 2.690 ( -2.837 11.704 0.000) 12.043 2.827 ( -11.100 3.751 0.000) 11.717 2.967 ( 4.881 4.811 0.000) 6.854 3.023 ( -0.675 1.381 0.000) 1.537 3.290 ( 2.918 3.128 0.000) 4.278 3.344 ( -1.910 1.121 0.000) 2.215 3.523 ( 6.254 -3.954 0.000) 7.399 3.524 ( 5.896 0.493 0.000) 5.916 3.633 ( -2.122 1.991 0.000) 2.910 3.675 ( -4.066 0.377 0.000) 4.084 3.751 ( -1.511 -12.229 0.000) 12.322 3.788 ( -2.830 -7.839 0.000) 8.335 4.217 ( 5.567 2.433 0.000) 6.075 4.326 ( -4.959 2.005 0.000) 5.349 4.685 ( 9.862 -9.795 0.000) 13.900 4.854 ( -5.969 -15.145 0.000) 16.279 5.305 ( 2.040 -12.405 0.000) 12.571 5.319 ( -0.217 11.311 0.000) 11.314 5.354 ( -2.450 -10.267 0.000) 10.556 5.359 ( -5.225 8.194 0.000) 9.718 5.866 ( 2.684 0.431 0.000) 2.719 5.919 ( 0.047 -0.552 0.000) 0.554 5.974 ( -2.219 2.368 0.000) 3.245 6.010 ( -2.985 -0.466 0.000) 3.021 6.172 ( 1.773 -3.468 0.000) 3.895 6.203 ( -1.644 -2.744 0.000) 3.199 6.551 ( 5.625 1.586 0.000) 5.844 6.660 ( -5.053 0.677 0.000) 5.099 6.973 ( 4.887 -7.088 0.000) 8.610 7.070 ( -4.835 -8.392 0.000) 9.685 7.439 ( 9.154 7.761 0.000) 12.001 7.610 ( -7.865 8.731 0.000) 11.751 8.142 ( 9.582 -2.409 0.000) 9.880 8.323 ( -8.370 -1.691 0.000) 8.539 9.319 ( -0.320 10.000 0.000) 10.005 9.329 ( -1.114 8.754 0.000) 8.825 10.091 ( 0.317 3.127 0.000) 3.143 10.096 ( -0.142 1.917 0.000) 1.922 11.235 ( 9.382 1.193 0.000) 9.458 11.395 ( -6.360 0.980 0.000) 6.435 11.758 ( 5.056 -2.885 0.000) 5.821 11.858 ( -4.450 -6.626 0.000) 7.982 13.639 ( 2.915 1.103 0.000) 3.117 13.709 ( -4.180 1.173 0.000) 4.341 14.708 ( 5.639 -14.054 0.000) 15.143 14.803 ( -3.380 -20.523 0.000) 20.800 19.510 ( 3.922 16.502 0.000) 16.962 19.628 ( -8.660 25.107 0.000) 26.558 20.698 ( 3.048 7.118 0.000) 7.743 20.748 ( -2.073 12.378 0.000) 12.550 21.052 ( 6.139 8.147 0.000) 10.200 21.193 ( -7.527 3.203 0.000) 8.181 22.757 ( 8.904 -1.849 0.000) 9.094 22.960 ( -11.367 -2.828 0.000) 11.713 23.614 ( 1.217 -3.331 0.000) 3.547 23.662 ( -3.353 -2.448 0.000) 4.151 24.263 ( 3.195 -6.666 0.000) 7.392 24.298 ( -0.297 -7.021 0.000) 7.027 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.000 19.771 0.000) 19.771 0.780 ( 0.000 18.675 0.000) 18.675 1.251 ( 0.000 7.695 0.000) 7.695 1.428 ( 0.000 -6.009 0.000) 6.009 1.562 ( 0.000 -4.708 0.000) 4.708 1.742 ( 0.000 4.451 0.000) 4.451 1.776 ( 0.000 12.499 0.000) 12.499 1.879 ( 0.000 -1.106 0.000) 1.106 1.938 ( 0.000 17.365 0.000) 17.365 2.053 ( 0.000 -4.026 0.000) 4.026 2.137 ( 0.000 7.516 0.000) 7.516 2.218 ( 0.000 19.920 0.000) 19.920 2.358 ( 0.000 14.155 0.000) 14.155 2.764 ( 0.000 14.007 0.000) 14.007 2.930 ( 0.000 2.923 0.000) 2.923 2.980 ( 0.000 -0.230 0.000) 0.230 2.992 ( 0.000 6.218 0.000) 6.218 3.013 ( 0.000 -1.390 0.000) 1.390 3.134 ( 0.000 18.657 0.000) 18.657 3.210 ( 0.000 5.642 0.000) 5.642 3.213 ( 0.000 0.411 0.000) 0.411 3.445 ( 0.000 12.484 0.000) 12.484 3.603 ( 0.000 -16.130 0.000) 16.130 3.808 ( 0.000 1.175 0.000) 1.175 3.833 ( 0.000 -2.699 0.000) 2.699 3.914 ( 0.000 -0.674 0.000) 0.674 3.958 ( 0.000 -2.802 0.000) 2.802 4.337 ( 0.000 4.369 0.000) 4.369 4.662 ( 0.000 -18.969 0.000) 18.969 4.730 ( 0.000 -3.196 0.000) 3.196 4.896 ( 0.000 -16.948 0.000) 16.948 4.988 ( 0.000 -24.715 0.000) 24.715 5.697 ( 0.000 9.734 0.000) 9.734 5.705 ( 0.000 3.140 0.000) 3.140 5.806 ( 0.000 0.114 0.000) 0.114 5.836 ( 0.000 0.631 0.000) 0.631 5.854 ( 0.000 8.758 0.000) 8.758 6.068 ( 0.000 -0.852 0.000) 0.852 6.163 ( 0.000 -6.573 0.000) 6.573 6.364 ( 0.000 0.565 0.000) 0.565 6.468 ( 0.000 5.518 0.000) 5.518 6.709 ( 0.000 -3.265 0.000) 3.265 6.835 ( 0.000 0.562 0.000) 0.562 7.066 ( 0.000 -7.475 0.000) 7.475 7.139 ( 0.000 6.973 0.000) 6.973 7.624 ( 0.000 -6.632 0.000) 6.632 8.073 ( 0.000 10.415 0.000) 10.415 8.550 ( 0.000 -4.533 0.000) 4.533 9.590 ( 0.000 10.885 0.000) 10.885 10.036 ( 0.000 1.221 0.000) 1.221 10.078 ( 0.000 -2.186 0.000) 2.186 10.111 ( 0.000 -0.837 0.000) 0.837 10.860 ( 0.000 2.765 0.000) 2.765 11.009 ( 0.000 -0.289 0.000) 0.289 11.534 ( 0.000 1.269 0.000) 1.269 11.603 ( 0.000 -0.623 0.000) 0.623 13.598 ( 0.000 2.964 0.000) 2.964 13.951 ( 0.000 1.318 0.000) 1.318 14.115 ( 0.000 -11.948 0.000) 11.948 14.282 ( 0.000 -8.838 0.000) 8.838 19.676 ( 0.000 14.758 0.000) 14.758 20.437 ( 0.000 -6.863 0.000) 6.863 20.985 ( 0.000 13.006 0.000) 13.006 21.427 ( 0.000 -1.646 0.000) 1.646 21.451 ( 0.000 31.511 0.000) 31.511 22.138 ( 0.000 3.970 0.000) 3.970 22.302 ( 0.000 0.175 0.000) 0.175 23.356 ( 0.000 -20.023 0.000) 20.023 23.408 ( 0.000 2.351 0.000) 2.351 23.769 ( 0.000 -1.838 0.000) 1.838 23.835 ( 0.000 -1.947 0.000) 1.947 24.020 ( 0.000 -11.216 0.000) 11.216 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 12.356 13.820 0.000) 18.538 0.878 ( 9.216 15.375 0.000) 17.926 1.303 ( 4.618 8.430 0.000) 9.612 1.453 ( 1.376 -3.134 0.000) 3.422 1.583 ( 2.598 -5.750 0.000) 6.310 1.685 ( -5.989 -2.074 0.000) 6.338 1.750 ( -2.377 11.784 0.000) 12.021 1.837 ( -1.098 4.858 0.000) 4.980 1.960 ( 2.114 17.476 0.000) 17.603 2.048 ( 0.623 9.218 0.000) 9.239 2.153 ( 2.427 9.064 0.000) 9.383 2.325 ( 7.205 10.566 0.000) 12.789 2.356 ( -0.330 14.443 0.000) 14.447 2.788 ( 1.512 14.211 0.000) 14.291 2.932 ( 0.756 5.105 0.000) 5.161 2.994 ( 2.196 2.956 0.000) 3.683 3.067 ( 5.881 3.814 0.000) 7.010 3.101 ( 7.360 -3.284 0.000) 8.059 3.127 ( -0.776 17.282 0.000) 17.299 3.240 ( 2.780 1.053 0.000) 2.973 3.260 ( 4.954 4.315 0.000) 6.570 3.410 ( -2.979 12.680 0.000) 13.025 3.635 ( 2.803 -15.469 0.000) 15.721 3.778 ( -3.862 -1.220 0.000) 4.050 3.795 ( -1.612 -0.661 0.000) 1.742 3.821 ( -7.408 1.721 0.000) 7.606 4.013 ( 4.316 -2.643 0.000) 5.061 4.311 ( -2.400 3.207 0.000) 4.006 4.637 ( -2.409 -19.170 0.000) 19.321 4.684 ( -4.266 -2.225 0.000) 4.811 4.910 ( 0.988 -18.138 0.000) 18.165 4.984 ( -0.444 -24.485 0.000) 24.489 5.609 ( -2.182 10.367 0.000) 10.594 5.797 ( 0.611 -1.793 0.000) 1.894 5.819 ( -3.040 9.404 0.000) 9.883 5.848 ( 0.771 0.824 0.000) 1.128 5.882 ( 7.835 0.913 0.000) 7.888 6.072 ( 0.464 -0.325 0.000) 0.567 6.137 ( -2.730 -6.430 0.000) 6.985 6.319 ( -4.039 1.063 0.000) 4.177 6.467 ( 0.550 4.541 0.000) 4.574 6.721 ( 1.323 -4.168 0.000) 4.373 6.811 ( -2.256 0.497 0.000) 2.310 7.041 ( -2.306 -7.606 0.000) 7.948 7.222 ( 7.591 7.346 0.000) 10.564 7.693 ( 6.528 -6.257 0.000) 9.043 8.043 ( -2.992 10.300 0.000) 10.726 8.516 ( -3.390 -4.325 0.000) 5.495 9.584 ( -0.524 11.139 0.000) 11.151 9.816 ( -12.356 8.892 0.000) 15.223 10.083 ( 0.441 -2.089 0.000) 2.135 10.159 ( 0.608 0.885 0.000) 1.074 10.915 ( 6.183 2.974 0.000) 6.861 11.287 ( 19.228 -11.641 0.000) 22.477 11.531 ( -0.393 1.271 0.000) 1.330 11.612 ( 0.868 -0.886 0.000) 1.241 13.605 ( 0.761 2.972 0.000) 3.068 13.916 ( -3.178 1.837 0.000) 3.671 14.173 ( 5.164 -15.952 0.000) 16.767 14.303 ( 1.858 -10.030 0.000) 10.201 19.699 ( 2.303 15.369 0.000) 15.541 20.471 ( 3.400 -6.664 0.000) 7.481 20.897 ( -10.286 13.286 0.000) 16.803 21.343 ( -10.012 -0.282 0.000) 10.016 21.446 ( -0.406 30.946 0.000) 30.949 21.728 ( -20.883 22.427 0.000) 30.644 22.451 ( 5.652 -3.637 0.000) 6.721 23.252 ( -8.929 -16.365 0.000) 18.642 23.472 ( 3.807 -1.439 0.000) 4.069 23.748 ( -2.040 -1.680 0.000) 2.643 23.902 ( 5.355 -5.324 0.000) 7.551 24.036 ( 1.635 -11.444 0.000) 11.560 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 13.026 7.571 0.000) 15.067 1.107 ( 12.678 9.841 0.000) 16.049 1.407 ( 5.189 9.860 0.000) 11.142 1.451 ( -1.359 0.396 0.000) 1.415 1.599 ( -1.794 -0.867 0.000) 1.993 1.666 ( 4.727 -5.777 0.000) 7.464 1.683 ( -4.365 7.288 0.000) 8.495 1.802 ( -2.813 7.750 0.000) 8.245 2.015 ( 3.206 17.631 0.000) 17.920 2.108 ( 4.702 13.107 0.000) 13.925 2.191 ( 0.630 12.865 0.000) 12.881 2.339 ( -1.516 15.136 0.000) 15.212 2.482 ( 8.960 7.667 0.000) 11.793 2.826 ( 2.712 14.473 0.000) 14.725 2.953 ( 0.725 6.260 0.000) 6.301 3.047 ( 3.135 6.540 0.000) 7.252 3.091 ( -3.003 15.503 0.000) 15.792 3.137 ( -1.024 3.740 0.000) 3.877 3.278 ( 9.204 -2.219 0.000) 9.468 3.329 ( 6.055 2.987 0.000) 6.751 3.376 ( 5.490 -1.421 0.000) 5.671 3.377 ( 0.954 9.553 0.000) 9.600 3.648 ( -4.351 -4.496 0.000) 6.256 3.701 ( -3.013 -1.956 0.000) 3.592 3.725 ( 0.783 -0.479 0.000) 0.917 3.754 ( -2.621 0.281 0.000) 2.636 4.106 ( 4.725 -2.914 0.000) 5.551 4.263 ( -1.714 -2.675 0.000) 3.177 4.574 ( -3.592 -19.566 0.000) 19.893 4.576 ( -5.957 -2.773 0.000) 6.571 4.928 ( 0.790 -19.499 0.000) 19.515 4.971 ( -0.759 -23.780 0.000) 23.792 5.595 ( 0.324 12.387 0.000) 12.391 5.738 ( -4.616 12.498 0.000) 13.323 5.812 ( 1.358 -1.302 0.000) 1.882 5.869 ( 1.274 -0.552 0.000) 1.388 5.977 ( 1.013 -3.663 0.000) 3.801 6.058 ( -4.900 -4.946 0.000) 6.962 6.098 ( 2.182 0.631 0.000) 2.272 6.233 ( -4.011 0.528 0.000) 4.045 6.505 ( 3.187 2.784 0.000) 4.232 6.752 ( -3.555 0.394 0.000) 3.576 6.763 ( 2.814 -5.504 0.000) 6.181 6.981 ( -3.555 -7.577 0.000) 8.369 7.408 ( 10.344 8.106 0.000) 13.142 7.862 ( 9.850 -5.512 0.000) 11.287 7.953 ( -6.074 10.079 0.000) 11.767 8.416 ( -6.483 -4.110 0.000) 7.676 9.571 ( -0.752 11.794 0.000) 11.818 9.637 ( -5.726 13.047 0.000) 14.249 10.096 ( 0.807 -1.733 0.000) 1.912 10.154 ( -0.760 0.931 0.000) 1.202 11.082 ( 9.763 3.172 0.000) 10.266 11.507 ( -2.366 1.495 0.000) 2.799 11.586 ( 9.690 -14.036 0.000) 17.056 11.639 ( 1.816 -1.997 0.000) 2.699 13.631 ( 1.844 3.004 0.000) 3.525 13.838 ( -4.350 2.719 0.000) 5.129 14.283 ( 4.987 -20.968 0.000) 21.552 14.343 ( 1.826 -13.057 0.000) 13.184 19.771 ( 5.099 17.250 0.000) 17.988 20.544 ( -21.916 21.428 0.000) 30.650 20.571 ( 6.540 -5.897 0.000) 8.806 21.103 ( -10.565 5.416 0.000) 11.872 21.438 ( -0.377 29.290 0.000) 29.292 21.513 ( -4.672 20.717 0.000) 21.237 22.550 ( 5.160 -5.108 0.000) 7.260 23.049 ( -10.734 -12.255 0.000) 16.291 23.521 ( 1.611 -1.781 0.000) 2.402 23.692 ( -3.406 -1.097 0.000) 3.579 24.006 ( 4.590 -8.887 0.000) 10.003 24.076 ( 1.866 -11.997 0.000) 12.141 ======================= Grid point 17 (12/64) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 8.525 5.701 0.000) 10.255 1.330 ( 5.334 6.668 0.000) 8.539 1.411 ( 1.471 3.228 0.000) 3.547 1.513 ( 4.922 7.454 0.000) 8.933 1.553 ( -6.233 2.148 0.000) 6.593 1.594 ( -3.062 4.928 0.000) 5.802 1.732 ( 1.557 -1.683 0.000) 2.293 1.750 ( -1.481 5.463 0.000) 5.660 2.086 ( 3.888 15.540 0.000) 16.019 2.156 ( -2.369 9.174 0.000) 9.475 2.215 ( 4.089 20.785 0.000) 21.183 2.292 ( -3.192 16.523 0.000) 16.828 2.685 ( 11.005 6.641 0.000) 12.853 2.890 ( -8.185 6.102 0.000) 10.210 2.903 ( 4.916 14.202 0.000) 15.029 3.008 ( -5.120 14.760 0.000) 15.623 3.110 ( 2.285 8.167 0.000) 8.481 3.112 ( 0.890 7.691 0.000) 7.742 3.373 ( 0.150 0.076 0.000) 0.169 3.387 ( -1.134 2.029 0.000) 2.324 3.454 ( 5.901 2.489 0.000) 6.404 3.499 ( 6.439 -5.109 0.000) 8.220 3.571 ( -2.189 -0.704 0.000) 2.300 3.654 ( -4.574 -4.599 0.000) 6.486 3.715 ( 0.881 6.191 0.000) 6.253 3.739 ( -0.370 6.347 0.000) 6.358 4.194 ( 3.940 -4.731 0.000) 6.157 4.247 ( -0.954 -8.659 0.000) 8.711 4.484 ( -2.074 -8.504 0.000) 8.753 4.504 ( -3.085 -17.706 0.000) 17.973 4.942 ( 0.651 -20.958 0.000) 20.969 4.956 ( -0.749 -22.542 0.000) 22.555 5.612 ( 1.347 14.180 0.000) 14.244 5.656 ( -3.236 14.503 0.000) 14.860 5.857 ( 2.982 -1.308 0.000) 3.256 5.894 ( 0.681 -1.540 0.000) 1.684 5.959 ( -1.768 -3.308 0.000) 3.750 5.963 ( -3.699 -3.072 0.000) 4.809 6.137 ( 1.601 -0.393 0.000) 1.648 6.171 ( -2.165 -0.568 0.000) 2.238 6.584 ( 4.462 1.466 0.000) 4.696 6.673 ( -4.328 0.650 0.000) 4.376 6.829 ( 3.715 -6.456 0.000) 7.449 6.906 ( -3.896 -7.136 0.000) 8.131 7.616 ( 10.194 8.940 0.000) 13.559 7.805 ( -8.598 9.648 0.000) 12.923 8.067 ( 10.311 -4.800 0.000) 11.374 8.261 ( -8.950 -4.284 0.000) 9.923 9.559 ( -0.258 12.614 0.000) 12.616 9.569 ( -1.559 13.292 0.000) 13.383 10.114 ( 1.024 -1.025 0.000) 1.449 10.135 ( -1.043 -0.022 0.000) 1.044 11.276 ( 9.077 2.931 0.000) 9.538 11.427 ( -5.835 2.176 0.000) 6.228 11.678 ( 1.736 -4.631 0.000) 4.946 11.688 ( 1.427 -9.123 0.000) 9.234 13.680 ( 3.071 3.139 0.000) 4.392 13.752 ( -4.089 3.170 0.000) 5.174 14.353 ( 2.037 -20.654 0.000) 20.754 14.368 ( 0.448 -17.058 0.000) 17.064 19.911 ( 9.263 20.334 0.000) 22.344 20.157 ( -15.825 23.430 0.000) 28.274 20.726 ( 8.778 -3.968 0.000) 9.633 20.910 ( -9.446 0.057 0.000) 9.446 21.436 ( 0.307 26.602 0.000) 26.604 21.455 ( -1.722 23.059 0.000) 23.123 22.673 ( 7.326 -7.117 0.000) 10.214 22.843 ( -9.604 -9.401 0.000) 13.440 23.559 ( 2.474 -0.751 0.000) 2.586 23.621 ( -3.562 -0.579 0.000) 3.608 24.075 ( 2.285 -10.894 0.000) 11.131 24.097 ( 0.089 -11.876 0.000) 11.876 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.000 20.931 0.000) 20.931 1.135 ( 0.000 15.177 0.000) 15.177 1.306 ( 0.000 -0.131 0.000) 0.131 1.343 ( 0.000 -2.077 0.000) 2.077 1.416 ( 0.000 -9.434 0.000) 9.434 1.468 ( 0.000 -20.211 0.000) 20.211 1.861 ( 0.000 4.666 0.000) 4.666 1.960 ( 0.000 -4.731 0.000) 4.731 2.095 ( 0.000 10.437 0.000) 10.437 2.217 ( 0.000 -0.775 0.000) 0.775 2.244 ( 0.000 11.949 0.000) 11.949 2.426 ( 0.000 -4.975 0.000) 4.975 2.771 ( 0.000 23.936 0.000) 23.936 2.967 ( 0.000 0.747 0.000) 0.747 2.969 ( 0.000 -0.354 0.000) 0.354 2.989 ( 0.000 2.886 0.000) 2.886 3.023 ( 0.000 5.024 0.000) 5.024 3.044 ( 0.000 -1.978 0.000) 1.978 3.228 ( 0.000 -3.549 0.000) 3.549 3.263 ( 0.000 -14.918 0.000) 14.918 3.492 ( 0.000 19.650 0.000) 19.650 3.494 ( 0.000 15.613 0.000) 15.613 3.726 ( 0.000 1.846 0.000) 1.846 3.769 ( 0.000 -8.681 0.000) 8.681 3.797 ( 0.000 9.618 0.000) 9.618 3.933 ( 0.000 4.259 0.000) 4.259 4.068 ( 0.000 15.176 0.000) 15.176 4.284 ( 0.000 -14.366 0.000) 14.366 4.395 ( 0.000 -6.292 0.000) 6.292 4.457 ( 0.000 -24.795 0.000) 24.795 4.560 ( 0.000 -7.531 0.000) 7.531 4.632 ( 0.000 -5.956 0.000) 5.956 5.738 ( 0.000 0.483 0.000) 0.483 5.745 ( 0.000 -0.512 0.000) 0.512 5.866 ( 0.000 2.471 0.000) 2.471 5.934 ( 0.000 -2.883 0.000) 2.883 5.935 ( 0.000 7.366 0.000) 7.366 6.037 ( 0.000 -2.676 0.000) 2.676 6.157 ( 0.000 7.343 0.000) 7.343 6.310 ( 0.000 -5.628 0.000) 5.628 6.558 ( 0.000 3.701 0.000) 3.701 6.634 ( 0.000 -3.732 0.000) 3.732 6.861 ( 0.000 2.211 0.000) 2.211 6.935 ( 0.000 -4.995 0.000) 4.995 7.302 ( 0.000 8.316 0.000) 8.316 7.472 ( 0.000 -7.944 0.000) 7.944 8.273 ( 0.000 8.796 0.000) 8.796 8.433 ( 0.000 -6.706 0.000) 6.706 9.813 ( 0.000 10.120 0.000) 10.120 9.989 ( 0.000 -6.573 0.000) 6.573 10.064 ( 0.000 1.415 0.000) 1.415 10.091 ( 0.000 -1.163 0.000) 1.163 10.925 ( 0.000 3.277 0.000) 3.277 10.984 ( 0.000 -2.169 0.000) 2.169 11.561 ( 0.000 1.336 0.000) 1.336 11.586 ( 0.000 -1.039 0.000) 1.039 13.694 ( 0.000 6.573 0.000) 6.573 13.874 ( 0.000 -10.619 0.000) 10.619 14.001 ( 0.000 3.769 0.000) 3.769 14.113 ( 0.000 -7.052 0.000) 7.052 19.987 ( 0.000 14.482 0.000) 14.482 20.253 ( 0.000 -10.964 0.000) 10.964 21.225 ( 0.000 9.457 0.000) 9.457 21.367 ( 0.000 -4.527 0.000) 4.527 22.150 ( 0.000 34.646 0.000) 34.646 22.224 ( 0.000 3.968 0.000) 3.968 22.287 ( 0.000 -1.866 0.000) 1.866 22.830 ( 0.000 -30.018 0.000) 30.018 23.523 ( 0.000 8.970 0.000) 8.970 23.761 ( 0.000 0.755 0.000) 0.755 23.761 ( 0.000 -13.056 0.000) 13.056 23.792 ( 0.000 -2.027 0.000) 2.027 ======================= Grid point 22 (14/64) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 5.546 17.806 0.000) 18.650 1.183 ( 4.837 13.462 0.000) 14.305 1.370 ( 5.320 -0.063 0.000) 5.321 1.404 ( 5.446 -2.348 0.000) 5.931 1.441 ( 2.444 -7.152 0.000) 7.558 1.459 ( -0.154 -16.403 0.000) 16.403 1.833 ( -2.802 4.000 0.000) 4.884 1.912 ( -3.509 -2.792 0.000) 4.484 2.160 ( 5.195 8.049 0.000) 9.580 2.257 ( 3.707 -0.215 0.000) 3.713 2.258 ( 1.331 11.128 0.000) 11.207 2.430 ( 0.394 -4.714 0.000) 4.730 2.809 ( 3.312 23.344 0.000) 23.578 3.006 ( 3.377 2.364 0.000) 4.122 3.031 ( 3.814 3.511 0.000) 5.184 3.042 ( 4.807 -1.065 0.000) 4.924 3.069 ( 5.827 7.901 0.000) 9.817 3.089 ( 4.085 -1.957 0.000) 4.530 3.239 ( 1.025 -6.322 0.000) 6.405 3.290 ( 3.623 -16.358 0.000) 16.754 3.462 ( -2.193 13.789 0.000) 13.962 3.516 ( 1.411 20.436 0.000) 20.484 3.671 ( -4.367 -3.927 0.000) 5.873 3.740 ( -2.335 10.404 0.000) 10.662 3.817 ( 0.902 -0.394 0.000) 0.984 3.956 ( 2.338 0.906 0.000) 2.507 4.031 ( -3.087 17.234 0.000) 17.509 4.256 ( -2.691 -13.895 0.000) 14.153 4.369 ( -2.830 -4.288 0.000) 5.138 4.456 ( -0.162 -24.842 0.000) 24.842 4.540 ( -1.935 -10.557 0.000) 10.733 4.593 ( -3.789 -6.052 0.000) 7.140 5.734 ( 0.473 2.214 0.000) 2.264 5.764 ( 1.081 -1.343 0.000) 1.724 5.867 ( 0.085 2.096 0.000) 2.098 5.928 ( -0.641 -2.352 0.000) 2.438 5.962 ( 2.071 5.700 0.000) 6.064 6.051 ( 1.322 -2.352 0.000) 2.698 6.123 ( -3.336 7.332 0.000) 8.055 6.274 ( -3.415 -5.352 0.000) 6.349 6.550 ( -0.271 3.799 0.000) 3.808 6.633 ( 0.214 -4.232 0.000) 4.238 6.836 ( -2.379 2.176 0.000) 3.224 6.910 ( -2.373 -5.019 0.000) 5.552 7.385 ( 7.699 8.089 0.000) 11.167 7.549 ( 7.203 -7.573 0.000) 10.451 8.242 ( -3.095 8.761 0.000) 9.292 8.402 ( -3.187 -6.636 0.000) 7.361 9.813 ( 0.013 10.380 0.000) 10.380 9.980 ( -5.132 7.290 0.000) 8.915 9.993 ( 0.433 -6.694 0.000) 6.708 10.111 ( -0.167 -4.928 0.000) 4.931 10.998 ( 7.180 4.912 0.000) 8.700 11.114 ( 10.945 -6.362 0.000) 12.660 11.560 ( -0.217 1.465 0.000) 1.481 11.589 ( 0.251 -1.290 0.000) 1.314 13.702 ( 0.833 6.682 0.000) 6.734 13.890 ( 1.561 -11.463 0.000) 11.569 13.979 ( -2.027 4.546 0.000) 4.978 14.110 ( -0.345 -8.101 0.000) 8.108 20.019 ( 3.272 14.793 0.000) 15.150 20.289 ( 3.589 -10.994 0.000) 11.565 21.138 ( -8.848 9.512 0.000) 12.991 21.285 ( -8.165 -4.855 0.000) 9.500 22.100 ( -7.489 14.226 0.000) 16.077 22.132 ( -1.813 33.738 0.000) 33.787 22.332 ( 1.646 -8.307 0.000) 8.468 22.784 ( -4.387 -28.135 0.000) 28.475 23.544 ( 1.735 8.115 0.000) 8.298 23.748 ( -1.175 1.599 0.000) 1.984 23.774 ( 1.327 -13.010 0.000) 13.077 23.806 ( 1.243 -3.851 0.000) 4.047 ======================= Grid point 23 (15/64) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 8.436 12.369 0.000) 14.972 1.316 ( 7.947 9.826 0.000) 12.638 1.463 ( 2.930 -0.489 0.000) 2.971 1.486 ( 2.842 -9.910 0.000) 10.309 1.509 ( 4.335 0.681 0.000) 4.388 1.528 ( 6.067 -5.667 0.000) 8.302 1.757 ( -4.646 3.658 0.000) 5.913 1.835 ( -4.263 -3.093 0.000) 5.266 2.266 ( 4.673 7.024 0.000) 8.436 2.291 ( 1.924 9.888 0.000) 10.074 2.345 ( 4.498 -0.207 0.000) 4.503 2.439 ( 0.475 -3.678 0.000) 3.709 2.893 ( 5.086 22.315 0.000) 22.887 3.071 ( 2.646 8.277 0.000) 8.690 3.106 ( 2.669 5.487 0.000) 6.101 3.132 ( 4.674 2.355 0.000) 5.233 3.170 ( 2.916 -1.028 0.000) 3.092 3.206 ( 6.434 -5.730 0.000) 8.615 3.296 ( 5.159 -3.197 0.000) 6.070 3.409 ( -2.860 10.537 0.000) 10.918 3.418 ( 8.444 -13.578 0.000) 15.989 3.521 ( -2.304 19.152 0.000) 19.290 3.572 ( -5.282 -3.832 0.000) 6.526 3.717 ( 0.817 10.071 0.000) 10.104 3.828 ( 0.974 4.552 0.000) 4.655 3.976 ( -1.791 19.196 0.000) 19.279 4.022 ( 3.915 -3.570 0.000) 5.299 4.190 ( -3.252 -12.433 0.000) 12.851 4.277 ( -6.287 0.404 0.000) 6.300 4.451 ( -0.199 -25.033 0.000) 25.034 4.468 ( -6.455 -8.069 0.000) 10.333 4.512 ( -2.609 -15.846 0.000) 16.059 5.758 ( 1.815 2.763 0.000) 3.305 5.788 ( 1.419 -1.085 0.000) 1.786 5.866 ( -0.382 1.178 0.000) 1.238 5.908 ( -1.322 -1.399 0.000) 1.925 5.989 ( 0.265 4.888 0.000) 4.895 6.039 ( -4.471 7.883 0.000) 9.062 6.082 ( 1.494 -2.701 0.000) 3.087 6.193 ( -4.170 -4.963 0.000) 6.482 6.566 ( 2.015 3.513 0.000) 4.050 6.654 ( 2.018 -4.889 0.000) 5.289 6.775 ( -3.568 2.144 0.000) 4.162 6.850 ( -3.461 -5.078 0.000) 6.145 7.576 ( 10.784 7.960 0.000) 13.403 7.732 ( 10.536 -6.989 0.000) 12.643 8.149 ( -6.288 8.661 0.000) 10.703 8.306 ( -6.410 -6.515 0.000) 9.140 9.814 ( 0.152 11.108 0.000) 11.109 9.893 ( -3.433 11.520 0.000) 12.021 10.006 ( 0.890 -7.020 0.000) 7.076 10.091 ( -1.523 -6.917 0.000) 7.082 11.179 ( 9.930 6.253 0.000) 11.735 11.342 ( 10.551 -9.665 0.000) 14.309 11.545 ( -1.566 2.141 0.000) 2.653 11.593 ( -0.057 -2.379 0.000) 2.380 13.730 ( 2.005 6.953 0.000) 7.236 13.925 ( -3.304 5.989 0.000) 6.840 13.934 ( 2.781 -13.076 0.000) 13.368 14.094 ( -1.386 -10.382 0.000) 10.474 20.120 ( 6.889 15.604 0.000) 17.057 20.396 ( 7.213 -10.951 0.000) 13.113 20.882 ( -15.833 12.272 0.000) 20.032 21.068 ( -12.578 -5.939 0.000) 13.909 21.997 ( -2.557 21.838 0.000) 21.987 22.083 ( -2.842 31.355 0.000) 31.484 22.364 ( 2.150 -13.368 0.000) 13.539 22.671 ( -6.546 -24.165 0.000) 25.035 23.581 ( 1.944 7.650 0.000) 7.893 23.716 ( -2.005 3.523 0.000) 4.054 23.807 ( 1.735 -13.070 0.000) 13.184 23.832 ( 1.105 -7.412 0.000) 7.494 ======================= Grid point 24 (16/64) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 6.371 8.315 0.000) 10.475 1.472 ( 3.232 6.031 0.000) 6.843 1.483 ( 2.687 3.745 0.000) 4.609 1.543 ( 1.605 -4.595 0.000) 4.868 1.578 ( 2.323 -0.099 0.000) 2.325 1.640 ( 5.215 -5.509 0.000) 7.586 1.651 ( -5.706 3.797 0.000) 6.854 1.742 ( -5.017 -3.934 0.000) 6.376 2.325 ( 1.236 8.387 0.000) 8.478 2.327 ( 1.361 7.146 0.000) 7.274 2.417 ( 2.440 -0.546 0.000) 2.501 2.443 ( -0.316 -1.893 0.000) 1.919 3.006 ( 5.835 17.695 0.000) 18.633 3.103 ( -3.184 9.475 0.000) 9.995 3.124 ( 3.019 7.206 0.000) 7.813 3.180 ( -1.771 2.293 0.000) 2.898 3.231 ( 5.833 -0.320 0.000) 5.841 3.337 ( 5.947 -5.588 0.000) 8.160 3.347 ( -4.337 5.130 0.000) 6.717 3.396 ( 4.322 4.144 0.000) 5.988 3.428 ( -4.914 11.098 0.000) 12.137 3.483 ( -4.077 -0.914 0.000) 4.178 3.586 ( 7.666 -5.966 0.000) 9.714 3.702 ( -3.542 1.030 0.000) 3.688 3.901 ( 5.463 12.330 0.000) 13.486 3.962 ( -0.428 16.459 0.000) 16.464 4.076 ( 0.793 -0.551 0.000) 0.966 4.139 ( -6.401 1.624 0.000) 6.604 4.184 ( 4.189 -11.200 0.000) 11.958 4.317 ( -7.920 -7.661 0.000) 11.019 4.454 ( 0.589 -24.752 0.000) 24.759 4.475 ( -1.441 -22.561 0.000) 22.607 5.801 ( 2.335 2.448 0.000) 3.383 5.825 ( 2.339 -1.312 0.000) 2.682 5.845 ( -1.806 1.353 0.000) 2.256 5.874 ( -2.211 -1.791 0.000) 2.845 5.974 ( -1.365 8.635 0.000) 8.742 5.978 ( -0.973 6.568 0.000) 6.640 6.103 ( 0.750 -3.823 0.000) 3.896 6.128 ( -2.121 -4.634 0.000) 5.096 6.624 ( 3.550 2.884 0.000) 4.574 6.700 ( -3.877 2.356 0.000) 4.537 6.709 ( 3.261 -5.123 0.000) 6.073 6.778 ( -3.606 -5.138 0.000) 6.277 7.795 ( 10.768 8.154 0.000) 13.507 7.948 ( 10.788 -6.620 0.000) 12.657 7.995 ( -9.042 8.453 0.000) 12.378 8.149 ( -9.162 -6.482 0.000) 11.223 9.821 ( 0.628 12.051 0.000) 12.067 9.843 ( -1.672 12.580 0.000) 12.691 10.029 ( 1.335 -7.394 0.000) 7.514 10.059 ( -1.637 -7.509 0.000) 7.685 11.363 ( 8.019 5.586 0.000) 9.773 11.487 ( -4.443 3.715 0.000) 5.791 11.506 ( 5.724 -8.097 0.000) 9.916 11.577 ( -1.817 -4.821 0.000) 5.152 13.782 ( 3.205 7.194 0.000) 7.876 13.853 ( -3.742 6.981 0.000) 7.921 13.995 ( 3.191 -13.708 0.000) 14.074 14.054 ( -2.583 -12.609 0.000) 12.871 20.298 ( 11.076 16.350 0.000) 19.748 20.561 ( -15.205 15.664 0.000) 21.830 20.575 ( 10.580 -10.371 0.000) 14.815 20.811 ( -12.799 -8.587 0.000) 15.413 21.986 ( 1.086 25.214 0.000) 25.237 22.026 ( -2.670 28.278 0.000) 28.403 22.429 ( 4.486 -16.844 0.000) 17.431 22.539 ( -6.323 -20.224 0.000) 21.189 23.623 ( 2.290 7.184 0.000) 7.540 23.671 ( -2.420 5.683 0.000) 6.177 23.836 ( 1.007 -12.464 0.000) 12.505 23.845 ( 0.123 -10.554 0.000) 10.555 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.136 ( 0.000 0.000 13.260) 13.260 0.316 ( 0.000 0.000 14.729) 14.729 0.316 ( 0.000 0.000 6.737) 6.737 0.465 ( 0.000 0.000 23.784) 23.784 1.340 ( 0.000 0.000 -0.030) 0.030 1.539 ( 0.000 0.000 6.241) 6.241 1.559 ( 0.000 0.000 -12.131) 12.131 1.760 ( 0.000 0.000 5.143) 5.143 1.765 ( 0.000 0.000 -5.259) 5.259 1.808 ( 0.000 0.000 3.867) 3.867 1.827 ( 0.000 0.000 -4.132) 4.132 2.017 ( 0.000 0.000 7.600) 7.600 2.093 ( 0.000 0.000 -12.237) 12.237 2.374 ( 0.000 0.000 4.689) 4.689 2.577 ( 0.000 0.000 -1.973) 1.973 2.598 ( 0.000 0.000 4.032) 4.032 2.835 ( 0.000 0.000 -7.933) 7.933 3.012 ( 0.000 0.000 9.237) 9.237 3.099 ( 0.000 0.000 6.326) 6.326 3.164 ( 0.000 0.000 6.747) 6.747 3.336 ( 0.000 0.000 13.330) 13.330 3.427 ( 0.000 0.000 6.763) 6.763 3.742 ( 0.000 0.000 -5.177) 5.177 3.771 ( 0.000 0.000 -16.782) 16.782 3.988 ( 0.000 0.000 -5.326) 5.326 4.017 ( 0.000 0.000 -3.380) 3.380 4.073 ( 0.000 0.000 -4.330) 4.330 4.222 ( 0.000 0.000 0.902) 0.902 4.384 ( 0.000 0.000 1.374) 1.374 5.132 ( 0.000 0.000 1.535) 1.535 5.246 ( 0.000 0.000 -12.644) 12.644 5.331 ( 0.000 0.000 -1.613) 1.613 5.528 ( 0.000 0.000 2.238) 2.238 5.703 ( 0.000 0.000 -2.008) 2.008 5.704 ( 0.000 0.000 -0.503) 0.503 5.830 ( 0.000 0.000 -2.929) 2.929 6.073 ( 0.000 0.000 1.050) 1.050 6.084 ( 0.000 0.000 0.124) 0.124 6.278 ( 0.000 0.000 8.167) 8.167 6.391 ( 0.000 0.000 1.895) 1.895 6.659 ( 0.000 0.000 -2.740) 2.740 6.837 ( 0.000 0.000 0.426) 0.426 7.063 ( 0.000 0.000 6.837) 6.837 7.362 ( 0.000 0.000 1.524) 1.524 7.734 ( 0.000 0.000 -4.612) 4.612 7.775 ( 0.000 0.000 -6.852) 6.852 7.815 ( 0.000 0.000 9.123) 9.123 8.539 ( 0.000 0.000 -4.264) 4.264 9.195 ( 0.000 0.000 1.121) 1.121 9.303 ( 0.000 0.000 -0.668) 0.668 10.014 ( 0.000 0.000 0.526) 0.526 10.081 ( 0.000 0.000 -0.553) 0.553 10.819 ( 0.000 0.000 1.839) 1.839 10.986 ( 0.000 0.000 -1.037) 1.037 11.524 ( 0.000 0.000 0.452) 0.452 11.607 ( 0.000 0.000 -0.904) 0.904 13.575 ( 0.000 0.000 2.544) 2.544 13.906 ( 0.000 0.000 -2.957) 2.957 14.435 ( 0.000 0.000 1.660) 1.660 14.677 ( 0.000 0.000 -2.450) 2.450 19.298 ( 0.000 0.000 0.111) 0.111 19.311 ( 0.000 0.000 -0.097) 0.097 20.578 ( 0.000 0.000 0.361) 0.361 20.626 ( 0.000 0.000 -0.420) 0.420 21.503 ( 0.000 0.000 5.373) 5.373 22.213 ( 0.000 0.000 -7.632) 7.632 22.447 ( 0.000 0.000 5.339) 5.339 23.275 ( 0.000 0.000 -11.281) 11.281 23.820 ( 0.000 0.000 11.874) 11.874 23.973 ( 0.000 0.000 5.449) 5.449 24.255 ( 0.000 0.000 -1.078) 1.078 24.757 ( 0.000 0.000 -5.893) 5.893 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 1.501 0.000 9.464) 9.583 0.396 ( 4.720 0.000 8.349) 9.590 0.436 ( 20.711 0.000 3.625) 21.026 0.778 ( 22.691 0.000 14.106) 26.718 1.336 ( -0.331 0.000 0.145) 0.361 1.545 ( 0.599 0.000 4.763) 4.801 1.566 ( 0.232 0.000 -8.318) 8.321 1.703 ( -5.732 0.000 -1.691) 5.976 1.735 ( -2.923 0.000 1.615) 3.339 1.780 ( -3.366 0.000 -4.510) 5.628 1.824 ( 4.159 0.000 5.149) 6.619 2.097 ( 6.964 0.000 7.801) 10.457 2.160 ( 1.446 0.000 -12.806) 12.887 2.431 ( 4.976 0.000 4.266) 6.554 2.606 ( 0.562 0.000 3.201) 3.249 2.611 ( 4.277 0.000 -2.419) 4.913 2.893 ( 3.243 0.000 -8.854) 9.429 3.051 ( 3.682 0.000 5.542) 6.654 3.162 ( 6.355 0.000 3.310) 7.165 3.258 ( 6.943 0.000 4.952) 8.528 3.278 ( -5.615 0.000 13.370) 14.502 3.457 ( 3.191 0.000 7.426) 8.082 3.699 ( -3.406 0.000 -5.308) 6.307 3.826 ( 5.210 0.000 -15.092) 15.966 3.897 ( -4.930 0.000 -3.364) 5.969 3.992 ( -3.930 0.000 -0.529) 3.965 4.087 ( 0.116 0.000 -3.455) 3.457 4.259 ( 3.275 0.000 -1.140) 3.468 4.382 ( 0.296 0.000 1.112) 1.151 5.117 ( -1.326 0.000 1.681) 2.141 5.230 ( -1.810 0.000 -14.354) 14.468 5.302 ( -2.595 0.000 -1.318) 2.910 5.624 ( 6.894 0.000 -4.166) 8.055 5.635 ( -4.974 0.000 0.620) 5.012 5.694 ( -2.216 0.000 -0.824) 2.364 5.834 ( 0.553 0.000 -2.312) 2.377 6.053 ( -1.297 0.000 0.835) 1.543 6.106 ( 1.313 0.000 0.171) 1.324 6.241 ( -3.969 0.000 6.655) 7.749 6.383 ( 0.481 0.000 2.049) 2.105 6.650 ( -4.312 0.000 3.841) 5.775 6.818 ( -1.014 0.000 0.512) 1.136 7.044 ( -19.575 0.000 19.446) 27.592 7.114 ( 4.861 0.000 6.918) 8.455 7.433 ( -7.640 0.000 2.654) 8.088 7.755 ( -0.485 0.000 1.235) 1.327 7.823 ( 3.221 0.000 3.032) 4.424 8.512 ( -2.739 0.000 -4.299) 5.097 9.195 ( 0.040 0.000 1.068) 1.069 9.292 ( -1.018 0.000 -0.536) 1.150 10.019 ( 0.522 0.000 0.479) 0.709 10.081 ( -0.035 0.000 -0.510) 0.511 10.885 ( 6.589 0.000 2.246) 6.962 11.494 ( 3.133 0.000 -2.784) 4.191 11.604 ( 3.844 0.000 -5.631) 6.818 11.705 ( 20.662 0.000 -24.413) 31.983 13.576 ( 0.480 0.000 2.219) 2.271 13.889 ( -2.882 0.000 -1.325) 3.172 14.520 ( 5.980 0.000 -3.979) 7.183 14.873 ( 12.254 0.000 -19.745) 23.238 19.302 ( 0.335 0.000 0.104) 0.350 19.314 ( 0.229 0.000 -0.087) 0.245 20.579 ( 0.077 0.000 0.323) 0.332 20.622 ( -0.378 0.000 -0.382) 0.537 21.476 ( -2.822 0.000 5.862) 6.506 21.600 ( -34.224 0.000 39.713) 52.425 22.459 ( 2.828 0.000 -4.065) 4.952 23.244 ( -5.759 0.000 -15.562) 16.593 23.869 ( 0.330 0.000 9.033) 9.039 23.981 ( -0.803 0.000 6.376) 6.427 24.235 ( -4.580 0.000 3.401) 5.705 24.385 ( -9.525 0.000 10.457) 14.145 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 4.727 0.000 5.647) 7.364 0.482 ( 3.393 0.000 4.851) 5.920 0.843 ( 19.358 0.000 -1.187) 19.395 1.192 ( 16.457 0.000 6.741) 17.784 1.332 ( 0.185 0.000 0.504) 0.537 1.540 ( -3.586 0.000 -0.933) 3.706 1.557 ( -0.647 0.000 -3.232) 3.296 1.596 ( -1.963 0.000 4.410) 4.827 1.701 ( -1.074 0.000 -0.424) 1.154 1.709 ( -3.472 0.000 -1.963) 3.989 1.913 ( 4.479 0.000 3.352) 5.595 2.123 ( -4.206 0.000 -7.233) 8.366 2.270 ( 9.896 0.000 7.190) 12.232 2.544 ( 5.872 0.000 4.935) 7.670 2.611 ( -0.064 0.000 2.031) 2.032 2.749 ( 8.871 0.000 -1.352) 8.974 2.954 ( 2.742 0.000 -7.490) 7.976 3.122 ( -9.718 0.000 13.692) 16.790 3.134 ( 4.418 0.000 1.613) 4.703 3.314 ( 7.927 0.000 -1.658) 8.099 3.372 ( 3.697 0.000 1.964) 4.186 3.548 ( 4.995 0.000 8.907) 10.212 3.635 ( -2.620 0.000 -2.466) 3.597 3.796 ( -6.039 0.000 -5.792) 8.368 3.906 ( -2.844 0.000 1.686) 3.306 3.958 ( 7.406 0.000 -10.640) 12.964 4.059 ( -3.101 0.000 0.471) 3.137 4.288 ( -1.598 0.000 -2.580) 3.035 4.458 ( 8.465 0.000 -3.927) 9.331 5.096 ( -0.231 0.000 1.841) 1.855 5.150 ( -6.946 0.000 -17.836) 19.140 5.241 ( -3.253 0.000 -0.918) 3.380 5.539 ( -3.518 0.000 4.499) 5.711 5.631 ( -3.702 0.000 0.517) 3.738 5.744 ( 4.938 0.000 -5.247) 7.205 5.859 ( 2.051 0.000 -1.241) 2.397 6.015 ( -2.662 0.000 1.449) 3.031 6.107 ( -3.096 0.000 4.691) 5.620 6.170 ( -0.372 0.000 -0.409) 0.552 6.397 ( -1.896 0.000 2.621) 3.234 6.516 ( -2.562 0.000 10.292) 10.606 6.783 ( -3.676 0.000 4.075) 5.488 6.941 ( 3.421 0.000 -0.171) 3.425 7.244 ( 7.793 0.000 7.056) 10.512 7.300 ( -6.688 0.000 -0.880) 6.746 7.690 ( -5.056 0.000 6.818) 8.488 7.952 ( 8.321 0.000 -3.062) 8.866 8.430 ( -5.447 0.000 -4.345) 6.968 9.198 ( 0.359 0.000 0.899) 0.968 9.265 ( -1.540 0.000 -0.197) 1.553 10.034 ( 0.882 0.000 0.337) 0.944 10.078 ( -0.278 0.000 -0.374) 0.466 11.056 ( 9.799 0.000 3.121) 10.285 11.486 ( -2.265 0.000 1.157) 2.543 11.660 ( 3.543 0.000 -2.651) 4.425 11.907 ( 1.253 0.000 -15.578) 15.628 13.598 ( 1.663 0.000 1.734) 2.402 13.805 ( -4.836 0.000 0.721) 4.889 14.651 ( 7.029 0.000 -4.998) 8.625 14.992 ( 0.105 0.000 -18.439) 18.439 19.310 ( 0.463 0.000 0.081) 0.470 19.319 ( 0.242 0.000 -0.057) 0.249 20.582 ( 0.230 0.000 0.216) 0.315 20.612 ( -0.606 0.000 -0.276) 0.666 21.207 ( -7.771 0.000 29.647) 30.649 21.397 ( -5.253 0.000 7.107) 8.838 22.548 ( 5.919 0.000 -6.112) 8.508 23.075 ( -9.973 0.000 -13.455) 16.749 23.823 ( -3.680 0.000 8.299) 9.079 23.853 ( -7.372 0.000 10.446) 12.786 24.253 ( 4.796 0.000 1.391) 4.993 24.366 ( 1.170 0.000 0.959) 1.513 ======================= Grid point 52 (20/64) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 4.182 0.000 2.824) 5.046 0.514 ( -0.509 0.000 2.508) 2.559 1.181 ( 13.723 0.000 -3.124) 14.074 1.349 ( -1.687 0.000 -1.175) 2.056 1.356 ( 2.434 0.000 0.828) 2.570 1.433 ( -5.145 0.000 0.272) 5.152 1.581 ( 3.890 0.000 -1.267) 4.091 1.609 ( 1.589 0.000 2.855) 3.267 1.649 ( -2.494 0.000 0.824) 2.627 1.666 ( -3.215 0.000 0.504) 3.255 1.990 ( 2.976 0.000 0.584) 3.033 2.041 ( -3.027 0.000 -2.498) 3.925 2.458 ( 7.888 0.000 3.129) 8.486 2.566 ( -3.106 0.000 0.721) 3.188 2.701 ( 8.703 0.000 10.174) 13.389 2.907 ( -11.296 0.000 13.568) 17.654 2.919 ( 6.793 0.000 -0.134) 6.794 2.985 ( -0.172 0.000 -2.767) 2.773 3.227 ( 5.412 0.000 -0.896) 5.486 3.350 ( -5.197 0.000 -0.246) 5.203 3.470 ( 6.353 0.000 -3.981) 7.497 3.574 ( -4.172 0.000 -3.092) 5.193 3.638 ( 4.206 0.000 6.330) 7.600 3.704 ( -2.542 0.000 1.303) 2.857 3.897 ( 1.749 0.000 0.224) 1.764 3.971 ( -5.034 0.000 1.409) 5.228 4.102 ( 6.748 0.000 -5.970) 9.010 4.219 ( -4.884 0.000 -3.313) 5.902 4.683 ( 13.158 0.000 -11.204) 17.282 4.949 ( -12.607 0.000 -16.259) 20.574 5.118 ( 2.302 0.000 1.226) 2.608 5.176 ( -3.225 0.000 -0.063) 3.226 5.516 ( 0.937 0.000 4.249) 4.351 5.560 ( -3.182 0.000 2.211) 3.875 5.829 ( 3.965 0.000 -2.382) 4.626 5.895 ( -0.767 0.000 -2.014) 2.155 5.965 ( 0.009 0.000 3.538) 3.538 6.024 ( -4.093 0.000 2.864) 4.996 6.210 ( 3.423 0.000 -0.282) 3.434 6.299 ( -5.393 0.000 2.697) 6.030 6.578 ( 5.545 0.000 4.840) 7.360 6.691 ( -5.370 0.000 4.243) 6.844 7.042 ( 5.899 0.000 -2.954) 6.597 7.167 ( -6.577 0.000 -2.490) 7.033 7.408 ( 8.371 0.000 7.187) 11.034 7.566 ( -7.248 0.000 7.241) 10.245 8.129 ( 8.976 0.000 -3.980) 9.819 8.298 ( -7.741 0.000 -4.285) 8.848 9.211 ( 0.922 0.000 0.608) 1.105 9.235 ( -1.435 0.000 0.221) 1.452 10.052 ( 0.932 0.000 0.110) 0.939 10.069 ( -0.664 0.000 -0.151) 0.681 11.250 ( 9.157 0.000 3.009) 9.639 11.404 ( -6.037 0.000 2.130) 6.401 11.750 ( 5.307 0.000 -4.034) 6.666 11.857 ( -4.825 0.000 -7.526) 8.940 13.643 ( 2.876 0.000 1.578) 3.280 13.713 ( -4.173 0.000 1.383) 4.396 14.794 ( 7.180 0.000 -7.154) 10.136 14.926 ( -5.632 0.000 -11.522) 12.825 19.318 ( 0.310 0.000 0.040) 0.312 19.322 ( 0.005 0.000 -0.010) 0.012 20.588 ( 0.445 0.000 0.058) 0.449 20.599 ( -0.614 0.000 -0.119) 0.625 21.178 ( 3.043 0.000 16.941) 17.212 21.278 ( -6.143 0.000 10.263) 11.961 22.690 ( 8.309 0.000 -7.850) 11.431 22.873 ( -9.894 0.000 -10.385) 14.343 23.754 ( -1.745 0.000 8.681) 8.855 23.765 ( -2.461 0.000 6.874) 7.301 24.337 ( 3.150 0.000 0.209) 3.157 24.374 ( -0.611 0.000 0.088) 0.618 ======================= Grid point 56 (21/64) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( 0.000 11.617 4.209) 12.356 0.552 ( 0.000 9.322 14.129) 16.928 0.888 ( 0.000 30.147 3.020) 30.298 1.082 ( 0.000 44.227 3.374) 44.356 1.452 ( 0.000 -5.719 -9.628) 11.199 1.534 ( 0.000 13.080 -2.289) 13.278 1.686 ( 0.000 -2.669 3.200) 4.167 1.711 ( 0.000 6.767 0.575) 6.791 1.837 ( 0.000 6.117 8.943) 10.835 1.906 ( 0.000 8.369 -3.710) 9.155 1.957 ( 0.000 10.534 -5.946) 12.097 2.059 ( 0.000 -0.060 -8.213) 8.213 2.196 ( 0.000 1.074 -5.727) 5.827 2.488 ( 0.000 9.305 1.250) 9.388 2.633 ( 0.000 8.196 -8.220) 11.608 2.788 ( 0.000 14.623 0.692) 14.639 2.835 ( 0.000 0.651 -6.429) 6.462 3.062 ( 0.000 4.798 7.765) 9.127 3.100 ( 0.000 0.249 5.596) 5.602 3.155 ( 0.000 -0.855 6.558) 6.614 3.344 ( 0.000 -6.180 5.010) 7.956 3.415 ( 0.000 7.343 12.966) 14.901 3.690 ( 0.000 -4.335 -10.421) 11.287 3.817 ( 0.000 1.607 -7.532) 7.701 3.843 ( 0.000 -10.623 -1.919) 10.795 3.970 ( 0.000 -1.800 -4.270) 4.634 4.002 ( 0.000 -0.829 0.554) 0.998 4.212 ( 0.000 -0.281 -3.351) 3.363 4.617 ( 0.000 8.839 -6.623) 11.045 4.971 ( 0.000 -12.270 -3.929) 12.884 5.217 ( 0.000 -8.269 1.979) 8.503 5.403 ( 0.000 6.930 -1.725) 7.142 5.447 ( 0.000 -18.253 -0.673) 18.265 5.575 ( 0.000 6.160 -4.488) 7.622 5.694 ( 0.000 1.187 -1.046) 1.582 5.832 ( 0.000 -1.168 -0.754) 1.390 6.075 ( 0.000 -0.974 -0.079) 0.977 6.158 ( 0.000 2.980 4.089) 5.060 6.323 ( 0.000 -4.815 2.370) 5.367 6.362 ( 0.000 4.982 4.111) 6.459 6.483 ( 0.000 -17.266 10.475) 20.195 6.779 ( 0.000 -5.684 0.247) 5.690 6.982 ( 0.000 -13.771 18.091) 22.737 7.096 ( 0.000 3.115 6.758) 7.442 7.259 ( 0.000 -7.627 2.180) 7.932 7.708 ( 0.000 -3.371 -3.041) 4.540 7.928 ( 0.000 8.728 7.483) 11.497 8.586 ( 0.000 -1.323 -3.807) 4.030 9.391 ( 0.000 7.992 0.003) 7.992 9.808 ( 0.000 19.984 -21.718) 29.514 10.021 ( 0.000 0.633 0.516) 0.816 10.090 ( 0.000 0.603 -0.609) 0.857 10.822 ( 0.000 0.674 1.311) 1.474 10.992 ( 0.000 0.438 -1.196) 1.274 11.525 ( 0.000 0.377 0.875) 0.952 11.605 ( 0.000 -0.183 -0.807) 0.827 13.580 ( 0.000 0.695 2.265) 2.369 13.906 ( 0.000 0.046 -3.127) 3.128 14.349 ( 0.000 -7.890 1.788) 8.090 14.502 ( 0.000 -10.672 2.291) 10.915 19.419 ( 0.000 9.939 0.421) 9.948 19.963 ( 0.000 32.292 -34.212) 47.046 20.731 ( 0.000 15.244 -1.928) 15.365 20.734 ( 0.000 9.844 -0.227) 9.846 21.503 ( 0.000 0.207 5.148) 5.152 22.211 ( 0.000 -0.239 -8.196) 8.200 22.320 ( 0.000 -7.499 11.506) 13.734 23.243 ( 0.000 -2.910 -12.308) 12.647 23.782 ( 0.000 -4.598 12.085) 12.930 23.912 ( 0.000 -4.417 6.411) 7.785 24.190 ( 0.000 -6.414 -0.876) 6.474 24.316 ( 0.000 -20.675 20.876) 29.381 ======================= Grid point 57 (22/64) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 15.397 6.231 -0.995) 16.640 0.795 ( 18.474 4.149 11.930) 22.379 0.919 ( 2.958 30.539 1.946) 30.744 1.097 ( 1.657 42.358 2.735) 42.479 1.461 ( 0.091 -2.822 -5.907) 6.547 1.524 ( -0.558 9.793 -3.214) 10.322 1.679 ( 0.444 3.273 -1.138) 3.493 1.734 ( -5.696 4.577 3.164) 7.962 1.766 ( 3.032 5.132 3.344) 6.835 1.840 ( -6.361 5.824 1.745) 8.799 1.964 ( 0.394 12.127 -3.757) 12.702 2.075 ( 4.488 0.366 -3.023) 5.424 2.287 ( 5.063 4.146 -2.911) 7.162 2.506 ( 2.005 8.039 1.242) 8.378 2.672 ( 4.097 6.484 -6.468) 10.033 2.770 ( -0.866 13.354 0.684) 13.399 2.893 ( 3.659 1.232 -7.089) 8.073 3.075 ( 1.706 2.196 5.676) 6.321 3.169 ( 6.634 0.875 2.626) 7.188 3.239 ( 5.178 -1.070 5.553) 7.667 3.370 ( -0.855 5.444 13.082) 14.195 3.381 ( 1.543 -2.865 7.012) 7.730 3.679 ( -2.191 -2.154 -7.071) 7.709 3.791 ( 0.647 -6.560 -9.226) 11.338 3.870 ( -2.490 -3.126 0.086) 3.997 3.888 ( -2.630 -5.460 -3.643) 7.071 4.028 ( 0.915 2.303 -1.014) 2.678 4.225 ( 1.779 -2.592 -3.410) 4.638 4.586 ( -2.497 8.545 -3.480) 9.559 4.948 ( -2.276 -12.513 -4.535) 13.503 5.226 ( 0.719 -7.705 0.513) 7.756 5.379 ( -2.013 7.822 -1.001) 8.139 5.436 ( -0.791 -18.159 -0.062) 18.176 5.584 ( -2.457 3.817 -7.394) 8.676 5.709 ( 3.217 2.477 -1.302) 4.264 5.831 ( 0.061 -1.060 -0.587) 1.213 6.069 ( -0.789 -0.686 -0.285) 1.083 6.154 ( -0.192 1.982 3.293) 3.849 6.266 ( -5.279 -0.776 3.713) 6.501 6.368 ( 0.575 -0.631 3.647) 3.746 6.455 ( -2.404 -12.396 9.962) 16.084 6.787 ( 1.094 -3.312 -0.866) 3.594 6.903 ( -4.668 -4.766 10.724) 12.629 7.160 ( 5.895 3.941 6.585) 9.677 7.246 ( -2.162 -9.597 1.999) 10.039 7.756 ( 4.425 -2.115 -3.612) 6.090 7.909 ( -1.785 7.702 7.220) 10.707 8.540 ( -4.081 -0.405 -3.751) 5.558 9.381 ( -0.954 8.069 -0.021) 8.125 9.511 ( -13.418 18.614 -4.208) 23.329 10.067 ( 1.124 3.775 -0.933) 4.047 10.091 ( 0.112 0.879 -0.424) 0.983 10.892 ( 6.671 0.719 1.933) 6.983 11.438 ( 20.270 -9.719 -13.504) 26.223 11.539 ( 4.027 -2.803 -1.988) 5.294 11.622 ( 2.514 -1.236 -1.178) 3.039 13.584 ( 0.566 0.844 2.008) 2.251 13.886 ( -2.584 -0.055 -1.571) 3.025 14.424 ( 5.843 -9.263 -3.714) 11.564 14.589 ( 7.498 -17.004 -1.865) 18.677 19.427 ( 0.855 10.466 0.344) 10.507 19.891 ( -6.984 34.164 -27.712) 44.541 20.693 ( -2.147 8.668 1.315) 9.027 20.750 ( 0.263 13.624 -1.905) 13.759 21.478 ( -2.586 0.358 5.575) 6.156 21.684 ( -29.875 8.045 28.904) 42.340 22.437 ( 4.409 -2.042 -4.675) 6.743 23.202 ( -5.465 -3.785 -14.912) 16.327 23.835 ( 1.195 -5.224 11.845) 13.001 23.885 ( -2.912 -5.977 6.947) 9.616 24.156 ( -3.062 -6.880 6.380) 9.870 24.258 ( 0.414 -8.714 6.693) 10.995 ======================= Grid point 58 (23/64) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 15.622 2.397 -5.042) 16.590 0.982 ( 3.521 31.764 0.789) 31.968 1.103 ( 6.955 25.553 7.176) 27.438 1.179 ( 9.054 11.488 1.061) 14.665 1.444 ( -1.363 0.946 -1.837) 2.475 1.521 ( 0.277 5.406 -2.286) 5.876 1.644 ( -3.324 8.509 0.459) 9.146 1.654 ( -3.521 3.234 0.382) 4.796 1.780 ( 1.004 12.873 4.358) 13.628 1.842 ( 4.085 -1.683 -0.872) 4.504 1.968 ( -0.136 12.448 -0.808) 12.475 2.114 ( -1.559 0.426 -4.517) 4.797 2.416 ( 8.568 10.258 4.780) 14.194 2.579 ( 5.217 4.196 2.854) 7.278 2.747 ( -1.389 12.051 1.152) 12.185 2.791 ( 6.940 3.499 -4.615) 9.039 2.967 ( 3.406 2.456 -5.099) 6.606 3.123 ( 1.256 1.037 4.143) 4.452 3.197 ( -5.018 4.058 8.844) 10.948 3.332 ( 7.825 1.332 -1.865) 8.153 3.389 ( 2.986 2.440 4.367) 5.826 3.490 ( 5.681 -3.974 8.374) 10.872 3.627 ( -1.902 -0.636 -2.395) 3.124 3.770 ( -4.946 -3.438 -6.471) 8.840 3.813 ( -0.165 -7.708 -3.940) 8.658 3.836 ( -3.988 -6.727 4.041) 8.803 4.080 ( 4.720 4.358 -4.403) 7.788 4.288 ( 3.693 -4.813 -5.639) 8.283 4.536 ( -1.733 4.799 -1.945) 5.461 4.879 ( -4.726 -13.432 -7.053) 15.890 5.247 ( 1.514 -5.793 -0.546) 6.013 5.339 ( -1.635 8.249 -0.606) 8.431 5.413 ( -1.701 -14.983 0.880) 15.105 5.484 ( -6.118 3.009 -2.645) 7.313 5.787 ( 3.461 1.962 -3.318) 5.181 5.848 ( 2.043 -0.968 -0.766) 2.387 6.037 ( -2.490 -0.142 -0.132) 2.498 6.144 ( -4.764 1.808 4.767) 6.978 6.163 ( -0.479 -1.086 1.116) 1.629 6.328 ( -4.051 -6.871 5.898) 9.920 6.471 ( 4.020 -0.630 3.237) 5.200 6.778 ( -3.355 -0.437 2.822) 4.406 6.875 ( 2.718 -5.113 0.343) 5.801 7.170 ( -4.921 -9.090 0.398) 10.345 7.313 ( 8.745 5.768 6.106) 12.125 7.786 ( -4.002 6.722 3.147) 8.432 7.940 ( 7.033 -0.923 -0.462) 7.108 8.436 ( -6.362 -0.500 -3.773) 7.413 9.354 ( -2.549 10.581 -0.155) 10.885 9.359 ( -2.469 10.436 0.061) 10.724 10.081 ( 0.490 3.730 -0.283) 3.772 10.094 ( 0.101 1.220 -0.288) 1.257 11.064 ( 9.861 0.842 2.766) 10.276 11.493 ( -2.188 0.577 0.949) 2.454 11.648 ( 3.240 -1.337 -2.955) 4.585 11.779 ( 5.447 -10.618 -10.969) 16.209 13.606 ( 1.696 0.914 1.643) 2.533 13.810 ( -4.485 0.593 0.376) 4.540 14.541 ( 5.747 -10.155 -4.938) 12.670 14.713 ( 3.485 -20.827 -8.014) 22.586 19.453 ( 1.756 12.231 0.029) 12.356 19.723 ( -8.524 30.595 -12.594) 34.166 20.668 ( 0.045 5.219 1.738) 5.501 20.745 ( -0.684 12.935 -2.024) 13.111 21.302 ( -9.242 10.504 25.984) 29.511 21.403 ( -4.757 1.162 7.099) 8.624 22.536 ( 5.901 -1.349 -6.322) 8.753 23.044 ( -9.416 -3.014 -12.958) 16.299 23.775 ( -5.010 -5.943 12.159) 14.431 23.805 ( -3.889 -2.289 6.725) 8.099 24.190 ( 4.396 -5.841 1.608) 7.485 24.289 ( 1.528 -7.079 1.152) 7.333 ======================= Grid point 59 (24/64) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 6.494 17.387 -3.278) 18.847 1.039 ( 1.709 31.109 -0.665) 31.163 1.200 ( 5.680 17.026 -3.043) 18.204 1.289 ( -0.613 -0.911 -3.290) 3.469 1.437 ( 1.734 3.124 2.054) 4.122 1.508 ( -3.673 4.655 -0.468) 5.948 1.578 ( 0.363 7.287 2.441) 7.693 1.616 ( -2.024 5.614 3.419) 6.877 1.835 ( 4.075 12.822 0.558) 13.465 1.897 ( -0.518 6.043 -2.871) 6.711 1.975 ( 2.204 5.834 0.498) 6.256 2.046 ( -4.167 2.583 -2.796) 5.644 2.591 ( 7.395 11.636 2.064) 13.940 2.686 ( -0.500 9.580 1.528) 9.714 2.729 ( 5.944 3.602 6.687) 9.645 2.884 ( -2.404 -0.206 3.496) 4.248 3.010 ( 0.029 5.118 3.562) 6.236 3.021 ( -2.388 5.031 4.243) 7.002 3.246 ( 5.847 2.056 -1.179) 6.309 3.374 ( -5.241 2.626 0.541) 5.887 3.474 ( 5.703 0.087 -3.795) 6.851 3.553 ( -1.466 -3.004 -0.756) 3.427 3.622 ( 3.476 -0.613 2.721) 4.456 3.700 ( -2.343 -0.777 1.090) 2.699 3.777 ( -1.183 -6.661 2.414) 7.183 3.786 ( -2.059 -9.916 -0.526) 10.141 4.191 ( 5.883 3.667 -3.447) 7.742 4.295 ( -3.661 1.600 -3.704) 5.448 4.587 ( 7.249 -7.533 -8.699) 13.600 4.753 ( -7.945 -13.093 -10.711) 18.689 5.288 ( 2.491 -0.159 -0.151) 2.501 5.321 ( -0.419 12.283 0.130) 12.291 5.371 ( -2.030 -14.871 1.440) 15.078 5.381 ( -3.453 -1.666 1.136) 3.999 5.848 ( 3.149 0.820 -1.569) 3.612 5.892 ( 0.515 -0.611 -1.898) 2.060 5.988 ( -0.707 0.394 1.919) 2.083 6.040 ( -4.516 0.331 2.934) 5.395 6.189 ( 2.191 -1.710 1.252) 3.048 6.248 ( -3.655 -3.851 3.030) 6.113 6.574 ( 5.826 0.069 2.552) 6.360 6.688 ( -5.312 -0.139 3.023) 6.114 6.958 ( 4.937 -6.474 -1.748) 8.327 7.063 ( -5.494 -7.719 -1.116) 9.540 7.493 ( 9.023 6.860 5.736) 12.704 7.662 ( -7.674 7.550 5.355) 12.023 8.112 ( 9.217 -1.762 -3.174) 9.906 8.289 ( -8.278 -1.200 -3.688) 9.142 9.322 ( -0.281 9.830 0.335) 9.840 9.332 ( -1.034 8.807 0.239) 8.871 10.089 ( 0.333 2.898 -0.149) 2.921 10.094 ( -0.107 1.934 -0.188) 1.947 11.259 ( 9.134 0.876 2.668) 9.556 11.412 ( -5.951 0.743 1.871) 6.283 11.723 ( 4.117 -2.600 -3.721) 6.128 11.795 ( -2.424 -5.637 -6.398) 8.865 13.652 ( 2.913 0.993 1.456) 3.405 13.722 ( -4.079 0.970 1.176) 4.355 14.648 ( 4.813 -13.004 -5.865) 15.055 14.722 ( -2.154 -17.222 -7.606) 18.950 19.500 ( 3.057 15.823 -0.922) 16.142 19.582 ( -5.433 22.132 -3.882) 23.118 20.690 ( 1.713 6.960 -0.532) 7.188 20.723 ( -1.470 10.533 -1.722) 10.774 21.235 ( 1.011 7.299 16.383) 17.964 21.302 ( -4.855 3.422 10.440) 12.012 22.675 ( 8.042 -1.694 -7.687) 11.253 22.852 ( -9.526 -2.252 -9.942) 13.952 23.713 ( -0.870 -3.562 8.627) 9.374 23.735 ( -2.758 -2.461 6.865) 7.797 24.268 ( 2.921 -6.531 0.340) 7.162 24.301 ( -0.465 -6.864 0.268) 6.885 ======================= Grid point 63 (25/64) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 0.000 16.013 -4.742) 16.701 0.808 ( 0.000 13.621 1.360) 13.688 1.264 ( 0.000 7.593 1.101) 7.672 1.300 ( 0.000 -6.108 -9.398) 11.208 1.624 ( 0.000 -4.375 5.530) 7.051 1.741 ( 0.000 4.343 -2.522) 5.023 1.789 ( 0.000 6.789 -1.819) 7.028 1.857 ( 0.000 14.671 0.569) 14.682 1.956 ( 0.000 -3.096 -10.099) 10.563 2.012 ( 0.000 7.257 6.350) 9.642 2.093 ( 0.000 7.748 -3.793) 8.627 2.257 ( 0.000 19.496 6.468) 20.541 2.349 ( 0.000 14.896 -1.352) 14.957 2.692 ( 0.000 11.197 -7.109) 13.263 2.794 ( 0.000 5.621 -8.160) 9.909 2.909 ( 0.000 6.226 0.044) 6.226 3.097 ( 0.000 1.247 7.254) 7.360 3.134 ( 0.000 16.301 0.073) 16.301 3.136 ( 0.000 -1.006 4.769) 4.874 3.199 ( 0.000 7.232 2.807) 7.758 3.247 ( 0.000 -0.503 2.853) 2.897 3.542 ( 0.000 -9.390 -5.473) 10.869 3.606 ( 0.000 9.339 6.099) 11.154 3.714 ( 0.000 -0.232 -0.886) 0.916 3.836 ( 0.000 1.204 0.083) 1.207 3.947 ( 0.000 0.603 0.791) 0.995 3.967 ( 0.000 -3.575 1.904) 4.051 4.249 ( 0.000 4.287 -8.785) 9.775 4.659 ( 0.000 -3.468 -6.695) 7.539 4.666 ( 0.000 -16.548 0.562) 16.557 4.925 ( 0.000 -18.026 2.682) 18.225 4.996 ( 0.000 -23.570 0.662) 23.579 5.616 ( 0.000 10.490 -3.192) 10.965 5.700 ( 0.000 3.121 -0.336) 3.139 5.801 ( 0.000 -1.190 -0.125) 1.196 5.805 ( 0.000 9.683 -5.225) 11.002 6.043 ( 0.000 -2.147 -1.801) 2.802 6.073 ( 0.000 -6.185 14.530) 15.791 6.192 ( 0.000 -5.983 2.640) 6.540 6.328 ( 0.000 -1.459 -3.866) 4.132 6.463 ( 0.000 3.771 0.180) 3.775 6.682 ( 0.000 -4.101 -2.437) 4.770 6.904 ( 0.000 -0.389 6.733) 6.744 7.091 ( 0.000 -6.314 2.571) 6.818 7.207 ( 0.000 5.681 6.336) 8.510 7.613 ( 0.000 -5.585 -1.299) 5.734 8.117 ( 0.000 8.981 4.603) 10.092 8.529 ( 0.000 -3.893 -2.245) 4.494 9.599 ( 0.000 11.197 1.017) 11.243 10.010 ( 0.000 3.466 -8.175) 8.879 10.038 ( 0.000 1.021 0.304) 1.065 10.088 ( 0.000 -1.111 -0.725) 1.327 10.853 ( 0.000 2.283 -0.178) 2.290 10.995 ( 0.000 -0.451 -1.527) 1.592 11.540 ( 0.000 1.041 0.627) 1.215 11.598 ( 0.000 -0.465 -0.538) 0.711 13.611 ( 0.000 2.548 1.499) 2.956 13.907 ( 0.000 -0.129 -3.998) 4.000 14.146 ( 0.000 -10.351 2.778) 10.717 14.290 ( 0.000 -9.693 0.481) 9.705 19.688 ( 0.000 15.025 1.300) 15.081 20.295 ( 0.000 3.456 -14.197) 14.612 20.986 ( 0.000 13.156 0.160) 13.157 21.171 ( 0.000 21.770 -12.942) 25.327 21.541 ( 0.000 6.084 3.778) 7.162 22.196 ( 0.000 -1.519 -10.177) 10.289 22.253 ( 0.000 1.523 9.160) 9.286 23.143 ( 0.000 -8.171 -12.935) 15.300 23.612 ( 0.000 -9.099 11.289) 14.499 23.861 ( 0.000 -0.604 9.247) 9.267 24.000 ( 0.000 -10.605 1.386) 10.695 24.055 ( 0.000 -8.195 13.743) 16.001 ======================= Grid point 64 (26/64) ======================= q-point: ( 0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 9.345 14.033 -5.196) 17.642 0.935 ( 11.736 8.719 1.952) 14.750 1.302 ( 3.838 6.716 -0.525) 7.754 1.363 ( 4.711 -2.362 -5.632) 7.713 1.615 ( -0.419 -2.673 2.642) 3.782 1.693 ( -4.780 3.013 -2.154) 6.047 1.762 ( -2.479 1.027 1.059) 2.885 1.814 ( -1.799 11.073 -2.130) 11.419 1.998 ( 1.385 14.405 3.876) 14.981 2.040 ( 3.886 0.645 -4.490) 5.973 2.098 ( 1.262 14.673 -2.283) 14.903 2.319 ( 2.312 15.705 0.913) 15.900 2.383 ( 5.499 11.985 2.951) 13.512 2.719 ( 2.493 10.967 -6.701) 13.092 2.803 ( 1.366 5.873 -7.439) 9.576 2.976 ( 5.954 7.917 -1.862) 10.080 3.097 ( -0.474 7.769 4.550) 9.016 3.138 ( -0.838 12.088 1.333) 12.191 3.192 ( 6.198 -0.304 2.487) 6.685 3.223 ( 3.359 -0.405 2.968) 4.500 3.311 ( 4.595 1.348 4.971) 6.902 3.562 ( 1.728 -5.256 -2.436) 6.045 3.593 ( -0.678 6.689 6.620) 9.435 3.669 ( -3.604 -0.100 -3.776) 5.221 3.827 ( -1.135 0.254 1.845) 2.181 3.850 ( -6.269 0.021 -0.060) 6.269 4.035 ( 4.030 -2.812 2.847) 5.679 4.223 ( -2.346 3.593 -8.773) 9.766 4.626 ( -2.861 -9.615 -3.820) 10.734 4.651 ( -2.229 -9.683 -0.996) 9.986 4.924 ( -0.088 -19.075 1.745) 19.155 4.994 ( -0.249 -23.488 0.746) 23.501 5.595 ( -0.954 10.691 -1.022) 10.782 5.748 ( 2.667 3.954 -3.484) 5.907 5.776 ( -2.108 8.204 -3.904) 9.326 5.805 ( 0.432 -0.254 -0.265) 0.567 6.028 ( -1.215 -3.111 0.079) 3.340 6.094 ( 1.559 -4.494 9.111) 10.278 6.166 ( -2.630 -5.825 2.361) 6.813 6.302 ( -2.362 -1.400 -2.055) 3.430 6.459 ( 0.337 3.505 -0.155) 3.524 6.700 ( 1.620 -4.586 -2.162) 5.322 6.867 ( -3.217 -0.125 5.640) 6.494 7.068 ( -2.510 -7.087 2.374) 7.884 7.279 ( 6.881 6.531 5.631) 11.032 7.677 ( 6.071 -5.069 -1.718) 8.094 8.088 ( -2.975 8.790 4.528) 10.326 8.494 ( -3.476 -3.678 -2.340) 5.575 9.592 ( -0.654 11.421 0.821) 11.469 9.794 ( -11.040 9.962 -2.430) 15.068 10.080 ( 0.623 -1.751 -0.283) 1.880 10.138 ( 1.568 1.067 -1.967) 2.732 10.921 ( 6.729 2.248 0.808) 7.140 11.226 ( 17.286 -8.308 -5.573) 19.972 11.539 ( -0.320 0.931 0.641) 1.174 11.606 ( 0.785 -0.780 -0.641) 1.279 13.617 ( 0.691 2.624 1.411) 3.058 13.893 ( -1.754 0.719 -2.648) 3.256 14.171 ( 2.703 -13.003 0.457) 13.289 14.309 ( 1.571 -11.137 0.071) 11.247 19.709 ( 2.124 15.623 1.128) 15.807 20.302 ( 0.363 6.312 -15.661) 16.889 20.903 ( -8.206 11.474 0.723) 14.125 21.129 ( -3.991 17.336 -9.922) 20.369 21.532 ( -0.754 8.207 4.348) 9.319 21.915 ( -16.472 13.676 10.756) 23.960 22.375 ( 4.985 -4.017 -5.269) 8.291 23.086 ( -5.555 -8.436 -12.165) 15.812 23.639 ( 1.299 -9.211 10.749) 14.215 23.835 ( -2.547 -0.872 8.617) 9.027 23.996 ( 0.220 -8.504 3.599) 9.237 24.065 ( 1.337 -9.360 6.978) 11.751 ======================= Grid point 65 (27/64) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 12.173 9.874 -7.280) 17.282 1.187 ( 11.100 3.602 0.361) 11.675 1.393 ( 4.585 7.842 -1.168) 9.159 1.430 ( 1.363 2.385 -0.037) 2.748 1.592 ( -2.605 1.145 -1.520) 3.226 1.628 ( -1.220 2.620 -2.868) 4.072 1.720 ( -0.434 -3.573 2.582) 4.430 1.781 ( -1.783 7.353 -1.007) 7.633 2.022 ( 1.525 15.848 0.805) 15.941 2.115 ( 2.194 7.818 -4.597) 9.331 2.146 ( 3.391 17.198 -0.073) 17.529 2.319 ( -1.248 14.334 -1.632) 14.480 2.557 ( 10.579 9.278 7.632) 16.008 2.784 ( 3.968 11.372 -4.074) 12.714 2.861 ( 4.100 5.259 -6.308) 9.179 3.054 ( -0.602 15.502 0.203) 15.515 3.107 ( -0.267 9.972 -0.439) 9.986 3.164 ( 7.309 3.931 0.621) 8.322 3.260 ( -1.788 1.865 5.069) 5.690 3.337 ( 6.872 -1.546 -0.300) 7.050 3.387 ( 3.867 -1.131 4.374) 5.947 3.547 ( -2.526 5.892 7.374) 9.771 3.607 ( -0.858 -3.266 -2.459) 4.177 3.658 ( 4.212 2.161 -0.698) 4.785 3.731 ( -4.870 -0.655 -0.145) 4.916 3.789 ( -2.244 0.496 1.447) 2.716 4.117 ( 4.104 -4.134 2.213) 6.231 4.185 ( -0.390 0.132 -8.032) 8.043 4.543 ( -5.451 -8.881 -3.390) 10.958 4.573 ( -5.322 -10.769 -1.072) 12.060 4.927 ( 0.516 -20.670 0.544) 20.684 4.985 ( -0.714 -22.977 0.907) 23.006 5.591 ( 0.450 12.136 -0.283) 12.147 5.702 ( -3.689 12.439 -3.512) 13.442 5.806 ( 1.853 -0.357 -1.281) 2.280 5.830 ( 2.198 -0.098 -1.517) 2.672 5.994 ( -2.253 -3.117 -0.435) 3.870 6.085 ( -4.203 -5.814 3.172) 7.844 6.130 ( 0.974 -1.650 2.995) 3.556 6.247 ( -2.818 -1.449 0.984) 3.318 6.497 ( 3.443 2.204 -0.497) 4.118 6.741 ( 1.965 -4.487 -1.805) 5.220 6.794 ( -3.404 -0.891 3.773) 5.159 6.998 ( -4.236 -7.161 1.377) 8.433 7.452 ( 9.851 7.284 4.565) 13.074 7.831 ( 8.316 -3.189 -2.669) 9.298 8.003 ( -4.945 7.460 4.599) 10.062 8.393 ( -6.531 -3.457 -2.482) 7.795 9.576 ( -0.843 12.010 0.526) 12.051 9.633 ( -5.163 13.141 -0.392) 14.124 10.095 ( 0.844 -1.519 -0.084) 1.740 10.145 ( -0.390 0.854 -0.923) 1.317 11.095 ( 9.976 2.412 1.575) 10.384 11.500 ( 3.526 -3.585 -2.772) 5.742 11.532 ( 4.464 -6.228 -3.028) 8.239 11.630 ( 1.588 -2.268 -1.124) 2.988 13.642 ( 1.798 2.746 1.249) 3.512 13.836 ( -3.650 2.152 -0.476) 4.264 14.244 ( 4.064 -16.939 -2.801) 17.644 14.339 ( 1.088 -14.152 -1.122) 14.238 19.774 ( 4.546 17.460 0.438) 18.047 20.264 ( -5.915 17.806 -16.314) 24.863 20.733 ( -5.317 2.250 6.015) 8.337 21.023 ( -6.526 8.564 -5.523) 12.101 21.518 ( -0.510 13.585 5.738) 14.756 21.664 ( -8.349 22.662 13.120) 27.485 22.474 ( 5.452 -5.257 -6.517) 9.991 22.940 ( -8.563 -7.898 -9.722) 15.173 23.638 ( -0.726 -5.625 9.540) 11.099 23.767 ( -3.986 -1.062 7.134) 8.241 24.031 ( 2.802 -9.054 1.643) 9.619 24.095 ( 1.295 -10.860 2.526) 11.225 ======================= Grid point 66 (28/64) ======================= q-point: ( 0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 11.514 6.840 -7.825) 15.511 1.295 ( -2.268 4.436 -5.534) 7.446 1.434 ( 1.133 6.014 -1.545) 6.312 1.457 ( 0.682 3.561 -3.295) 4.900 1.567 ( 0.110 1.849 1.324) 2.277 1.586 ( -1.993 5.426 0.551) 5.807 1.739 ( 1.086 -1.586 -0.062) 1.923 1.756 ( -0.580 0.700 1.394) 1.665 2.064 ( 2.685 16.052 -1.677) 16.361 2.114 ( -1.784 13.969 -3.562) 14.526 2.218 ( 3.459 15.660 -0.508) 16.046 2.279 ( -2.619 14.951 -1.548) 15.258 2.777 ( 10.569 7.841 8.827) 15.847 2.874 ( 4.867 10.927 -2.643) 12.251 2.909 ( -1.116 6.129 -1.361) 6.377 2.993 ( -5.440 14.291 0.957) 15.321 3.125 ( 1.662 6.737 1.806) 7.170 3.170 ( -3.815 7.775 5.318) 10.163 3.323 ( 7.060 4.751 -0.852) 8.552 3.421 ( 0.095 -2.635 1.241) 2.914 3.461 ( 1.540 -0.302 -0.247) 1.589 3.503 ( -1.459 0.990 0.344) 1.797 3.580 ( 0.068 1.138 1.321) 1.745 3.645 ( -4.147 -3.221 -1.414) 5.438 3.725 ( 3.476 4.701 2.850) 6.504 3.781 ( -0.437 5.298 2.419) 5.841 4.197 ( 3.669 -4.950 0.742) 6.206 4.217 ( 2.288 -5.876 -4.226) 7.591 4.433 ( -3.858 -8.572 -4.528) 10.434 4.459 ( -5.284 -13.382 -5.074) 15.256 4.943 ( 1.027 -21.743 0.426) 21.772 4.966 ( -1.129 -22.538 0.814) 22.581 5.607 ( 1.109 13.540 -0.377) 13.591 5.639 ( -2.335 13.837 -1.422) 14.104 5.846 ( 2.244 -1.030 -1.127) 2.714 5.870 ( 0.921 -1.161 -1.922) 2.427 5.953 ( -0.705 -2.818 0.823) 3.019 5.997 ( -4.079 -3.607 2.098) 5.835 6.155 ( 1.580 -1.512 1.688) 2.762 6.195 ( -2.400 -1.577 1.885) 3.435 6.586 ( 5.146 1.022 0.342) 5.258 6.689 ( -4.927 0.347 1.586) 5.188 6.822 ( 3.916 -6.198 -0.824) 7.378 6.908 ( -4.578 -6.756 -0.005) 8.161 7.652 ( 9.863 8.018 3.802) 13.267 7.833 ( -7.710 8.377 2.761) 11.715 8.053 ( 9.285 -3.834 -1.377) 10.140 8.239 ( -8.807 -3.620 -2.388) 9.816 9.563 ( -0.287 12.744 0.396) 12.753 9.572 ( -1.421 13.295 0.268) 13.374 10.113 ( 0.958 -0.907 -0.130) 1.325 10.131 ( -0.868 -0.016 -0.395) 0.954 11.290 ( 8.941 2.261 1.586) 9.358 11.436 ( -5.582 1.709 1.093) 5.939 11.640 ( 2.777 -6.764 -4.242) 8.453 11.658 ( 0.677 -5.346 -2.667) 6.013 13.690 ( 3.013 2.895 1.072) 4.314 13.759 ( -3.848 2.847 0.643) 4.829 14.314 ( 2.615 -17.961 -3.495) 18.483 14.345 ( -0.561 -16.775 -2.569) 16.979 19.895 ( 7.627 20.462 -1.522) 21.890 20.079 ( -10.521 23.265 -6.948) 26.462 20.744 ( 5.035 -2.622 1.506) 5.873 20.878 ( -7.557 1.241 -2.673) 8.111 21.519 ( 0.788 19.099 7.488) 20.529 21.556 ( -3.189 22.634 9.863) 24.895 22.601 ( 7.334 -6.215 -6.674) 11.703 22.763 ( -8.775 -7.082 -7.588) 13.592 23.640 ( 1.279 -2.336 7.373) 7.840 23.689 ( -3.458 -1.146 6.455) 7.411 24.083 ( 2.062 -10.735 0.648) 10.950 24.107 ( -0.263 -11.317 0.956) 11.360 ======================= Grid point 70 (29/64) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.000 12.368 -14.066) 18.730 1.003 ( 0.000 1.144 -14.859) 14.903 1.266 ( 0.000 5.202 -0.756) 5.257 1.352 ( 0.000 2.709 0.729) 2.805 1.496 ( 0.000 -6.258 7.730) 9.946 1.592 ( 0.000 -12.252 5.942) 13.617 1.816 ( 0.000 3.422 -3.716) 5.052 1.888 ( 0.000 -3.459 -6.627) 7.475 2.126 ( 0.000 7.555 2.947) 8.110 2.191 ( 0.000 1.116 -2.256) 2.517 2.236 ( 0.000 11.328 -0.914) 11.365 2.414 ( 0.000 -4.981 -1.525) 5.209 2.735 ( 0.000 19.230 -2.837) 19.438 2.887 ( 0.000 4.386 -2.636) 5.117 2.905 ( 0.000 1.307 -6.438) 6.569 3.005 ( 0.000 5.706 1.068) 5.805 3.056 ( 0.000 -6.418 0.472) 6.435 3.098 ( 0.000 -0.736 5.046) 5.100 3.244 ( 0.000 -0.509 3.373) 3.412 3.291 ( 0.000 -5.523 1.565) 5.740 3.504 ( 0.000 15.408 0.595) 15.419 3.516 ( 0.000 12.803 2.105) 12.975 3.684 ( 0.000 -0.827 -4.763) 4.835 3.790 ( 0.000 -9.396 2.543) 9.733 3.919 ( 0.000 16.145 10.857) 19.456 3.973 ( 0.000 10.256 1.116) 10.316 4.079 ( 0.000 13.376 2.830) 13.672 4.305 ( 0.000 -13.811 2.687) 14.071 4.360 ( 0.000 -2.220 -2.542) 3.375 4.416 ( 0.000 -22.344 -4.510) 22.794 4.538 ( 0.000 -13.842 -1.734) 13.950 4.603 ( 0.000 -9.922 -2.662) 10.273 5.733 ( 0.000 0.547 -0.346) 0.647 5.734 ( 0.000 0.713 -0.706) 1.004 5.839 ( 0.000 4.750 -1.380) 4.947 5.922 ( 0.000 -2.155 -1.174) 2.454 6.020 ( 0.000 0.585 5.971) 6.000 6.030 ( 0.000 1.713 -2.520) 3.047 6.142 ( 0.000 3.156 -0.014) 3.156 6.262 ( 0.000 -5.312 -4.773) 7.141 6.527 ( 0.000 2.928 -2.350) 3.754 6.598 ( 0.000 -3.930 -3.115) 5.014 6.917 ( 0.000 1.665 5.018) 5.287 6.978 ( 0.000 -4.284 3.774) 5.709 7.344 ( 0.000 7.008 4.144) 8.142 7.486 ( 0.000 -6.592 1.328) 6.724 8.289 ( 0.000 7.580 1.699) 7.768 8.428 ( 0.000 -5.823 -0.587) 5.853 9.823 ( 0.000 9.932 1.140) 9.998 9.988 ( 0.000 -5.481 -0.195) 5.484 10.059 ( 0.000 0.856 -0.491) 0.987 10.070 ( 0.000 -0.206 -2.087) 2.097 10.911 ( 0.000 3.032 -1.269) 3.286 10.967 ( 0.000 -2.185 -1.677) 2.754 11.564 ( 0.000 1.137 0.242) 1.162 11.585 ( 0.000 -0.848 -0.163) 0.863 13.695 ( 0.000 5.789 0.224) 5.794 13.843 ( 0.000 -7.251 -2.782) 7.767 14.026 ( 0.000 0.770 2.136) 2.270 14.115 ( 0.000 -6.862 0.147) 6.864 19.997 ( 0.000 13.919 1.104) 13.963 20.231 ( 0.000 -8.082 -2.345) 8.415 21.226 ( 0.000 9.103 0.020) 9.103 21.343 ( 0.000 -1.754 -2.800) 3.304 21.881 ( 0.000 19.038 -14.586) 23.983 22.126 ( 0.000 -6.107 -14.035) 15.306 22.407 ( 0.000 14.776 8.299) 16.947 22.828 ( 0.000 -21.508 -1.706) 21.576 23.560 ( 0.000 4.953 3.657) 6.157 23.755 ( 0.000 -12.141 -0.426) 12.149 23.874 ( 0.000 1.792 10.676) 10.825 23.934 ( 0.000 -4.074 12.366) 13.019 ======================= Grid point 71 (30/64) ======================= q-point: ( 0.14 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 7.754 11.799 -10.845) 17.803 1.075 ( 7.036 1.891 -11.685) 13.770 1.335 ( 6.230 3.400 -0.821) 7.145 1.401 ( 4.398 2.301 0.185) 4.967 1.509 ( 1.297 -5.719 6.648) 8.865 1.583 ( -0.646 -9.556 6.211) 11.415 1.779 ( -3.313 3.593 -4.749) 6.815 1.856 ( -2.926 -3.487 -5.216) 6.923 2.178 ( 4.348 6.668 1.473) 8.095 2.226 ( 2.834 3.545 -1.927) 4.930 2.253 ( 2.198 8.244 -1.329) 8.635 2.414 ( -0.003 -4.605 -1.881) 4.974 2.783 ( 4.482 18.114 -2.953) 18.893 2.897 ( 1.939 2.831 -5.609) 6.575 2.937 ( 2.329 5.881 -4.506) 7.766 3.078 ( 6.842 4.735 1.183) 8.404 3.116 ( 5.343 -7.090 0.467) 8.890 3.157 ( 5.157 -0.397 4.735) 7.013 3.237 ( -0.420 0.191 2.427) 2.471 3.328 ( 3.660 -7.687 2.320) 8.824 3.485 ( -1.883 12.876 1.905) 13.151 3.523 ( 0.826 15.598 0.655) 15.634 3.659 ( -2.246 -2.497 -2.037) 3.928 3.802 ( 0.957 -7.492 1.412) 7.684 3.869 ( -4.074 15.087 7.925) 17.522 3.970 ( -0.933 12.534 0.607) 12.583 4.065 ( -0.969 11.641 4.790) 12.625 4.263 ( -3.261 -12.840 -0.369) 13.253 4.337 ( -2.322 -2.099 -1.321) 3.397 4.434 ( 1.014 -22.892 -1.742) 22.980 4.530 ( -0.995 -13.581 -1.265) 13.676 4.570 ( -3.244 -10.319 -1.942) 10.990 5.732 ( 0.682 2.320 -0.081) 2.420 5.758 ( 1.381 -0.857 -0.554) 1.717 5.839 ( 0.022 4.051 -1.795) 4.431 5.910 ( -1.101 -1.549 -1.648) 2.515 6.018 ( -0.065 2.905 1.564) 3.300 6.046 ( 0.918 0.652 -0.081) 1.129 6.114 ( -2.401 2.156 0.782) 3.321 6.234 ( -2.565 -5.539 -3.882) 7.234 6.526 ( 0.290 3.281 -1.895) 3.800 6.605 ( 0.877 -4.357 -2.521) 5.110 6.884 ( -3.047 1.819 4.424) 5.672 6.948 ( -2.819 -4.472 3.424) 6.299 7.421 ( 7.151 6.918 3.540) 10.561 7.558 ( 6.811 -6.285 0.915) 9.313 8.258 ( -3.173 7.536 1.601) 8.332 8.396 ( -3.269 -5.755 -0.681) 6.654 9.822 ( -0.093 10.240 0.990) 10.288 9.964 ( -3.839 5.194 -1.397) 6.608 10.004 ( -0.476 -4.049 0.784) 4.152 10.099 ( 0.170 -4.496 -1.237) 4.666 10.989 ( 7.457 4.212 -0.842) 8.606 11.089 ( 10.523 -5.486 -2.407) 12.109 11.562 ( -0.277 1.232 0.182) 1.276 11.587 ( 0.139 -1.089 -0.273) 1.131 13.704 ( 0.862 5.942 0.249) 6.009 13.856 ( 1.250 -7.147 -2.920) 7.821 14.006 ( -1.789 0.681 2.206) 2.921 14.111 ( -0.551 -7.829 -0.076) 7.848 20.028 ( 3.138 14.265 0.978) 14.639 20.265 ( 3.341 -7.847 -2.578) 8.910 21.125 ( -9.766 9.007 -1.276) 13.346 21.251 ( -8.657 -2.489 -3.520) 9.671 21.887 ( 0.855 19.364 -10.221) 21.913 22.148 ( 1.752 -1.815 -10.704) 10.997 22.357 ( -4.067 12.937 7.247) 15.376 22.784 ( -4.295 -20.747 -1.485) 21.239 23.578 ( 1.619 4.304 3.422) 5.732 23.761 ( 0.454 -10.891 -0.213) 10.902 23.858 ( -1.415 1.035 9.497) 9.657 23.922 ( -0.997 -4.708 10.240) 11.315 ======================= Grid point 72 (31/64) ======================= q-point: ( 0.29 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 9.125 11.269 -8.055) 16.587 1.251 ( 9.218 0.575 -8.359) 12.457 1.463 ( 5.196 2.960 1.551) 6.178 1.495 ( 4.249 1.866 -0.467) 4.664 1.551 ( 3.306 -5.736 2.361) 7.029 1.574 ( -0.695 -4.033 3.727) 5.535 1.700 ( -4.265 2.831 -4.736) 6.974 1.782 ( -4.285 -3.962 -4.706) 7.497 2.253 ( 2.737 8.387 -1.489) 8.947 2.287 ( 3.295 6.612 -0.130) 7.388 2.329 ( 4.282 1.571 -1.913) 4.947 2.416 ( 0.240 -3.475 -2.360) 4.208 2.901 ( 7.079 15.034 -1.902) 16.726 2.968 ( 4.360 3.587 -8.292) 10.032 2.991 ( 3.411 8.014 -0.933) 8.759 3.195 ( 0.869 -2.596 0.629) 2.809 3.246 ( 6.271 1.095 -2.355) 6.788 3.256 ( 4.844 -1.584 3.258) 6.049 3.263 ( 4.835 2.994 5.652) 8.018 3.428 ( 1.484 -3.810 2.627) 4.860 3.443 ( 2.966 5.579 1.888) 6.594 3.542 ( 0.132 18.035 1.382) 18.088 3.603 ( -3.266 -5.162 1.581) 6.309 3.796 ( -1.873 12.128 5.829) 13.586 3.818 ( 0.264 -0.617 0.683) 0.957 3.952 ( 0.054 13.763 -2.202) 13.938 4.045 ( -0.921 4.109 2.496) 4.895 4.203 ( -2.653 -9.766 1.013) 10.171 4.270 ( -4.035 1.488 -0.622) 4.346 4.427 ( -4.460 -20.584 -0.705) 21.073 4.469 ( -2.519 -10.680 -1.913) 11.139 4.516 ( -1.842 -19.787 1.280) 19.914 5.757 ( 1.630 2.873 -0.088) 3.304 5.785 ( 1.382 -1.001 -0.297) 1.732 5.837 ( -0.322 2.442 -2.334) 3.393 5.883 ( -1.465 -0.548 -2.308) 2.788 6.009 ( -1.384 7.223 -1.082) 7.434 6.026 ( -2.288 2.011 0.973) 3.198 6.093 ( 0.358 -2.290 1.134) 2.580 6.178 ( -2.686 -5.800 -1.366) 6.537 6.553 ( 2.513 3.362 -1.202) 4.366 6.638 ( 2.486 -4.792 -1.679) 5.653 6.808 ( -4.344 1.915 3.176) 5.712 6.876 ( -4.194 -4.653 2.368) 6.697 7.601 ( 10.293 6.906 2.520) 12.649 7.733 ( 10.096 -5.737 0.083) 11.612 8.163 ( -6.307 7.370 1.471) 9.811 8.298 ( -6.461 -5.638 -0.827) 8.615 9.821 ( 0.052 11.041 0.736) 11.065 9.889 ( -3.039 11.293 -0.386) 11.701 10.011 ( 0.767 -6.594 0.531) 6.660 10.085 ( -1.241 -6.636 -0.618) 6.779 11.174 ( 10.114 5.274 -0.387) 11.413 11.314 ( 10.657 -8.326 -2.755) 13.801 11.545 ( -1.643 1.781 0.047) 2.424 11.586 ( -0.316 -2.102 -0.642) 2.220 13.732 ( 2.056 6.321 0.320) 6.654 13.882 ( 0.720 -2.422 -2.823) 3.789 13.968 ( -1.293 -4.118 1.989) 4.752 14.089 ( -1.658 -9.908 -0.572) 10.062 20.123 ( 6.512 15.255 0.498) 16.594 20.363 ( 6.394 -6.393 -3.480) 9.689 20.867 ( -14.841 9.762 -1.207) 17.804 21.034 ( -12.259 -5.184 -3.410) 13.740 21.921 ( 2.537 20.653 -3.646) 21.125 22.154 ( -2.480 18.821 0.489) 18.990 22.310 ( 1.047 -6.361 -1.224) 6.562 22.667 ( -7.020 -18.985 -1.405) 20.290 23.616 ( 2.109 4.432 3.454) 6.001 23.761 ( -0.991 -2.830 2.442) 3.867 23.834 ( -0.352 -5.756 4.753) 7.473 23.900 ( -1.167 -7.055 6.058) 9.372 ======================= Grid point 73 (32/64) ======================= q-point: ( 0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 9.046 9.217 -6.747) 14.571 1.398 ( 4.122 3.516 -6.846) 8.731 1.507 ( -0.988 2.421 -0.032) 2.615 1.519 ( -3.692 0.555 -4.726) 6.023 1.570 ( 3.177 -0.330 -0.044) 3.195 1.621 ( -0.012 -0.716 -0.744) 1.032 1.637 ( 0.906 -3.692 -0.794) 3.883 1.698 ( -3.687 -4.791 -3.109) 6.798 2.302 ( 2.082 8.199 -1.684) 8.625 2.324 ( 0.176 6.988 -0.882) 7.046 2.397 ( 2.290 0.330 -2.168) 3.171 2.419 ( -0.161 -1.552 -2.219) 2.712 3.036 ( 3.363 8.790 -1.378) 9.512 3.048 ( 6.039 5.234 -4.634) 9.238 3.067 ( 2.605 8.276 -0.766) 8.710 3.157 ( -3.467 0.191 -2.603) 4.340 3.294 ( 0.657 3.629 3.637) 5.180 3.331 ( -1.137 7.335 1.162) 7.513 3.376 ( 6.260 -5.123 2.398) 8.437 3.409 ( 2.095 5.697 4.423) 7.510 3.494 ( -3.123 13.261 3.328) 14.025 3.520 ( -5.127 0.196 3.783) 6.374 3.612 ( 8.383 -2.171 2.285) 8.956 3.749 ( -4.951 2.386 4.875) 7.346 3.871 ( 5.940 10.188 -2.553) 12.066 3.961 ( -1.454 12.543 -1.550) 12.722 4.065 ( 3.896 -2.393 -0.076) 4.573 4.160 ( -2.407 -0.830 1.720) 3.073 4.193 ( -1.935 -2.730 0.633) 3.406 4.278 ( -7.593 -9.644 -3.319) 12.715 4.462 ( 0.308 -22.498 -0.223) 22.501 4.480 ( -1.550 -23.000 1.260) 23.087 5.791 ( 1.664 2.771 -0.910) 3.358 5.815 ( 1.180 -0.049 -1.075) 1.597 5.823 ( -0.601 1.121 -1.799) 2.203 5.854 ( -1.651 -1.309 -1.853) 2.806 5.977 ( -0.435 7.300 0.423) 7.325 5.994 ( -1.497 5.295 1.197) 5.632 6.104 ( 0.870 -4.097 0.158) 4.191 6.132 ( -1.905 -5.206 0.373) 5.556 6.623 ( 4.285 2.809 -0.118) 5.125 6.699 ( 2.039 -2.783 -0.663) 3.513 6.720 ( -2.886 0.119 1.567) 3.286 6.789 ( -4.409 -4.793 0.866) 6.570 7.812 ( 10.436 7.171 1.731) 12.780 7.939 ( 9.350 -4.010 -0.770) 10.203 8.013 ( -7.764 5.737 1.699) 9.803 8.142 ( -9.038 -5.640 -0.764) 10.681 9.826 ( 0.522 12.005 0.521) 12.028 9.845 ( -1.469 12.483 0.213) 12.571 10.031 ( 1.191 -7.179 0.255) 7.282 10.058 ( -1.438 -7.298 -0.118) 7.439 11.360 ( 8.102 4.706 -0.157) 9.371 11.482 ( 2.715 -3.449 -1.533) 4.649 11.489 ( -1.074 -0.519 -0.719) 1.392 11.564 ( -2.228 -4.281 -1.323) 5.004 13.785 ( 3.186 6.715 0.338) 7.440 13.852 ( -3.158 6.331 -0.234) 7.079 13.988 ( 2.658 -12.601 -0.602) 12.892 14.045 ( -2.719 -11.943 -0.971) 12.287 20.289 ( 9.980 16.684 -0.821) 19.458 20.471 ( -1.792 10.306 -5.853) 11.987 20.627 ( -2.326 -4.297 2.152) 5.339 20.788 ( -11.857 -8.778 -2.267) 14.925 21.985 ( 3.878 22.816 0.813) 23.158 22.072 ( -4.671 24.868 3.427) 25.534 22.387 ( 5.757 -14.841 -3.534) 16.306 22.521 ( -7.340 -16.964 -2.183) 18.613 23.663 ( 2.627 5.174 3.913) 6.999 23.719 ( -2.788 4.270 4.438) 6.760 23.848 ( 1.329 -11.082 1.502) 11.262 23.876 ( -1.325 -9.888 2.757) 10.350 ======================= Grid point 98 (33/64) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 0.000 0.000 18.900) 18.900 0.449 ( 0.000 0.000 6.890) 6.890 0.514 ( 0.000 0.000 6.212) 6.212 0.842 ( 0.000 0.000 14.597) 14.597 1.307 ( 0.000 0.000 -11.882) 11.882 1.361 ( 0.000 0.000 3.006) 3.006 1.620 ( 0.000 0.000 2.988) 2.988 1.626 ( 0.000 0.000 -8.938) 8.938 1.697 ( 0.000 0.000 -15.649) 15.649 1.750 ( 0.000 0.000 -4.156) 4.156 1.887 ( 0.000 0.000 4.325) 4.325 1.950 ( 0.000 0.000 0.399) 0.399 2.321 ( 0.000 0.000 23.476) 23.476 2.472 ( 0.000 0.000 5.447) 5.447 2.576 ( 0.000 0.000 2.058) 2.058 2.633 ( 0.000 0.000 -0.002) 0.002 2.719 ( 0.000 0.000 -4.741) 4.741 3.181 ( 0.000 0.000 7.901) 7.901 3.262 ( 0.000 0.000 10.773) 10.773 3.264 ( 0.000 0.000 3.860) 3.860 3.368 ( 0.000 0.000 -25.905) 25.905 3.562 ( 0.000 0.000 3.298) 3.298 3.632 ( 0.000 0.000 -2.053) 2.053 3.683 ( 0.000 0.000 22.332) 22.332 3.866 ( 0.000 0.000 -6.953) 6.953 3.921 ( 0.000 0.000 -6.501) 6.501 3.961 ( 0.000 0.000 -7.507) 7.507 4.209 ( 0.000 0.000 -3.034) 3.034 4.429 ( 0.000 0.000 4.001) 4.001 4.921 ( 0.000 0.000 -20.783) 20.783 5.173 ( 0.000 0.000 2.808) 2.808 5.289 ( 0.000 0.000 -2.850) 2.850 5.589 ( 0.000 0.000 4.263) 4.263 5.679 ( 0.000 0.000 -0.491) 0.491 5.692 ( 0.000 0.000 -0.734) 0.734 5.761 ( 0.000 0.000 -4.305) 4.305 6.090 ( 0.000 0.000 0.527) 0.527 6.090 ( 0.000 0.000 0.637) 0.637 6.439 ( 0.000 0.000 3.562) 3.562 6.477 ( 0.000 0.000 12.190) 12.190 6.592 ( 0.000 0.000 -4.248) 4.248 6.819 ( 0.000 0.000 -3.215) 3.215 7.230 ( 0.000 0.000 10.625) 10.625 7.402 ( 0.000 0.000 2.879) 2.879 7.612 ( 0.000 0.000 -8.417) 8.417 7.619 ( 0.000 0.000 -9.029) 9.029 8.021 ( 0.000 0.000 12.284) 12.284 8.423 ( 0.000 0.000 -8.188) 8.188 9.222 ( 0.000 0.000 1.751) 1.751 9.284 ( 0.000 0.000 -1.306) 1.306 10.028 ( 0.000 0.000 0.937) 0.937 10.067 ( 0.000 0.000 -0.962) 0.962 10.863 ( 0.000 0.000 2.746) 2.746 10.958 ( 0.000 0.000 -1.981) 1.981 11.537 ( 0.000 0.000 0.947) 0.947 11.584 ( 0.000 0.000 -1.401) 1.401 13.641 ( 0.000 0.000 4.507) 4.507 13.831 ( 0.000 0.000 -4.881) 4.881 14.479 ( 0.000 0.000 3.015) 3.015 14.617 ( 0.000 0.000 -3.826) 3.826 19.301 ( 0.000 0.000 0.188) 0.188 19.309 ( 0.000 0.000 -0.174) 0.174 20.587 ( 0.000 0.000 0.646) 0.646 20.615 ( 0.000 0.000 -0.705) 0.705 21.640 ( 0.000 0.000 9.174) 9.174 22.035 ( 0.000 0.000 -10.913) 10.913 22.589 ( 0.000 0.000 9.837) 9.837 23.043 ( 0.000 0.000 -13.292) 13.292 24.047 ( 0.000 0.000 9.443) 9.443 24.109 ( 0.000 0.000 11.321) 11.321 24.223 ( 0.000 0.000 -2.517) 2.517 24.600 ( 0.000 0.000 -10.918) 10.918 ======================= Grid point 99 (34/64) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -0.060 0.000 6.679) 6.679 0.533 ( 1.397 0.000 4.329) 4.549 0.619 ( 13.918 0.000 14.599) 20.170 1.012 ( 13.616 0.000 7.778) 15.681 1.364 ( 0.292 0.000 3.411) 3.424 1.389 ( 7.411 0.000 -7.326) 10.421 1.591 ( -2.219 0.000 -1.311) 2.578 1.633 ( 0.099 0.000 -3.973) 3.974 1.711 ( -3.167 0.000 -2.707) 4.166 1.711 ( -0.249 0.000 -8.395) 8.398 1.885 ( 1.808 0.000 1.826) 2.569 1.981 ( 1.271 0.000 -3.217) 3.459 2.367 ( 3.875 0.000 18.268) 18.674 2.545 ( 7.159 0.000 9.380) 11.800 2.589 ( 3.048 0.000 0.521) 3.092 2.629 ( -0.440 0.000 -0.190) 0.479 2.740 ( 1.779 0.000 -6.933) 7.157 3.186 ( 0.789 0.000 8.597) 8.633 3.246 ( 1.798 0.000 4.499) 4.845 3.354 ( 3.774 0.000 4.219) 5.661 3.438 ( 6.713 0.000 -24.077) 24.995 3.585 ( 2.362 0.000 -1.002) 2.566 3.634 ( -4.605 0.000 21.694) 22.177 3.640 ( 1.610 0.000 5.120) 5.367 3.780 ( -5.974 0.000 -6.682) 8.963 3.930 ( -0.083 0.000 -5.268) 5.269 4.016 ( 3.278 0.000 -4.754) 5.775 4.212 ( 0.095 0.000 -4.746) 4.747 4.423 ( -0.423 0.000 3.661) 3.685 4.887 ( -3.395 0.000 -20.893) 21.167 5.159 ( -1.246 0.000 2.765) 3.032 5.266 ( -2.101 0.000 -2.497) 3.263 5.623 ( 3.151 0.000 2.699) 4.149 5.647 ( -2.563 0.000 0.750) 2.670 5.679 ( -1.590 0.000 -0.869) 1.812 5.774 ( 1.342 0.000 -4.023) 4.241 6.072 ( -1.102 0.000 1.113) 1.566 6.105 ( 0.830 0.000 -0.415) 0.928 6.392 ( -5.722 0.000 7.137) 9.148 6.451 ( -0.130 0.000 5.914) 5.915 6.628 ( 1.561 0.000 -2.103) 2.619 6.802 ( -1.029 0.000 -3.006) 3.177 7.262 ( -13.948 0.000 6.580) 15.422 7.282 ( 4.918 0.000 10.619) 11.703 7.439 ( -10.487 0.000 -2.668) 10.821 7.660 ( 4.459 0.000 -8.179) 9.315 7.999 ( -2.095 0.000 11.875) 12.058 8.396 ( -2.768 0.000 -8.184) 8.639 9.221 ( -0.117 0.000 1.636) 1.640 9.277 ( -0.718 0.000 -1.117) 1.328 10.032 ( 0.402 0.000 0.858) 0.947 10.068 ( 0.080 0.000 -0.887) 0.890 10.949 ( 8.247 0.000 4.685) 9.485 11.243 ( 19.976 0.000 -13.459) 24.087 11.540 ( 0.202 0.000 0.814) 0.839 11.600 ( 1.734 0.000 -1.972) 2.626 13.639 ( 0.043 0.000 4.466) 4.467 13.830 ( -0.679 0.000 -4.658) 4.707 14.495 ( 2.169 0.000 1.405) 2.584 14.664 ( 3.611 0.000 -7.193) 8.048 19.305 ( 0.315 0.000 0.175) 0.360 19.311 ( 0.254 0.000 -0.157) 0.299 20.587 ( -0.019 0.000 0.581) 0.581 20.612 ( -0.281 0.000 -0.640) 0.699 21.619 ( -2.071 0.000 9.315) 9.543 21.918 ( -12.015 0.000 0.002) 12.015 22.486 ( -5.449 0.000 8.569) 10.155 22.972 ( -6.627 0.000 -14.422) 15.872 24.068 ( -3.852 0.000 9.835) 10.562 24.095 ( 2.551 0.000 7.720) 8.131 24.232 ( 0.367 0.000 -1.553) 1.596 24.453 ( -9.609 0.000 -3.340) 10.173 ======================= Grid point 100 (35/64) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 1.754 0.000 4.573) 4.898 0.554 ( 0.450 0.000 1.547) 1.611 0.897 ( 12.967 0.000 7.087) 14.777 1.239 ( 7.038 0.000 -3.898) 8.045 1.375 ( 0.851 0.000 4.177) 4.263 1.534 ( -3.517 0.000 -0.155) 3.521 1.551 ( 6.176 0.000 3.617) 7.157 1.631 ( -0.173 0.000 -2.131) 2.138 1.655 ( -1.925 0.000 -1.887) 2.696 1.700 ( 1.657 0.000 1.003) 1.937 1.942 ( 0.969 0.000 -0.878) 1.308 1.965 ( -1.086 0.000 -8.466) 8.535 2.448 ( 3.980 0.000 9.102) 9.935 2.612 ( -1.285 0.000 -0.892) 1.564 2.726 ( 9.955 0.000 -0.783) 9.986 2.742 ( 11.930 0.000 17.289) 21.005 2.815 ( 6.200 0.000 -6.178) 8.752 3.213 ( 1.427 0.000 6.547) 6.701 3.305 ( 3.858 0.000 0.808) 3.942 3.387 ( -0.017 0.000 -0.367) 0.367 3.473 ( -8.404 0.000 21.162) 22.769 3.622 ( -5.987 0.000 -8.523) 10.416 3.648 ( 10.684 0.000 -20.455) 23.077 3.656 ( 3.728 0.000 2.386) 4.426 3.720 ( 2.029 0.000 6.658) 6.961 3.918 ( -0.740 0.000 -0.225) 0.774 4.043 ( -1.104 0.000 -2.445) 2.683 4.191 ( -2.877 0.000 -8.712) 9.175 4.430 ( 1.800 0.000 1.228) 2.179 4.787 ( -6.579 0.000 -19.678) 20.749 5.137 ( -0.604 0.000 2.386) 2.461 5.217 ( -2.536 0.000 -1.674) 3.038 5.597 ( -2.055 0.000 2.149) 2.974 5.636 ( -2.414 0.000 -0.125) 2.418 5.703 ( 4.594 0.000 0.549) 4.626 5.814 ( 2.505 0.000 -3.417) 4.236 6.048 ( -1.172 0.000 2.148) 2.447 6.131 ( 1.982 0.000 -1.525) 2.500 6.258 ( -7.214 0.000 7.867) 10.674 6.425 ( -3.777 0.000 0.270) 3.786 6.629 ( 0.302 0.000 3.842) 3.854 6.815 ( 1.942 0.000 -2.552) 3.207 7.012 ( -8.512 0.000 7.677) 11.462 7.257 ( -8.629 0.000 -4.112) 9.559 7.413 ( 7.814 0.000 10.546) 13.125 7.756 ( 3.350 0.000 -3.894) 5.137 7.958 ( -0.554 0.000 7.212) 7.233 8.314 ( -5.376 0.000 -8.079) 9.704 9.220 ( 0.037 0.000 1.288) 1.289 9.258 ( -1.052 0.000 -0.614) 1.218 10.043 ( 0.635 0.000 0.611) 0.882 10.068 ( -0.038 0.000 -0.647) 0.648 11.146 ( 10.414 0.000 6.776) 12.424 11.510 ( 2.508 0.000 -1.645) 2.999 11.552 ( 4.141 0.000 -8.228) 9.211 11.659 ( 3.621 0.000 -7.049) 7.924 13.650 ( 1.089 0.000 3.833) 3.985 13.794 ( -2.676 0.000 -2.191) 3.458 14.566 ( 4.492 0.000 -2.574) 5.177 14.721 ( 1.529 0.000 -10.564) 10.675 19.312 ( 0.420 0.000 0.132) 0.440 19.317 ( 0.293 0.000 -0.108) 0.312 20.587 ( 0.052 0.000 0.395) 0.399 20.605 ( -0.430 0.000 -0.455) 0.626 21.561 ( -3.508 0.000 9.948) 10.549 21.649 ( -11.813 0.000 14.495) 18.699 22.461 ( 2.157 0.000 -0.828) 2.311 22.815 ( -8.244 0.000 -14.281) 16.489 23.974 ( -4.894 0.000 7.661) 9.091 24.025 ( -7.673 0.000 6.686) 10.177 24.273 ( 3.818 0.000 1.055) 3.961 24.370 ( -0.253 0.000 -1.307) 1.331 ======================= Grid point 101 (36/64) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 2.450 0.000 1.766) 3.020 0.545 ( -1.321 0.000 0.419) 1.386 1.124 ( 9.761 0.000 -1.919) 9.948 1.269 ( -3.815 0.000 -7.196) 8.145 1.404 ( 2.166 0.000 4.069) 4.610 1.461 ( -3.471 0.000 2.402) 4.221 1.622 ( 4.097 0.000 6.215) 7.444 1.629 ( 0.008 0.000 -1.223) 1.223 1.634 ( -0.513 0.000 -1.991) 2.056 1.722 ( -3.808 0.000 5.683) 6.840 1.935 ( 3.021 0.000 -6.508) 7.175 1.983 ( -0.489 0.000 -4.441) 4.468 2.521 ( 3.237 0.000 3.145) 4.513 2.576 ( -2.305 0.000 0.144) 2.310 2.915 ( 6.933 0.000 -0.153) 6.934 2.944 ( 4.368 0.000 -1.500) 4.618 2.999 ( 13.403 0.000 21.715) 25.518 3.249 ( 3.151 0.000 3.217) 4.503 3.259 ( -12.292 0.000 23.386) 26.419 3.337 ( -3.176 0.000 -0.154) 3.179 3.404 ( 3.208 0.000 -3.029) 4.412 3.486 ( -5.776 0.000 -6.263) 8.520 3.734 ( 3.164 0.000 3.062) 4.404 3.755 ( 1.018 0.000 4.172) 4.294 3.883 ( 11.645 0.000 -18.501) 21.861 3.914 ( 0.863 0.000 1.205) 1.482 3.977 ( -4.641 0.000 -0.784) 4.707 4.083 ( -7.953 0.000 -13.097) 15.323 4.504 ( 5.520 0.000 -5.821) 8.022 4.640 ( -7.623 0.000 -14.345) 16.244 5.142 ( 1.037 0.000 1.228) 1.608 5.172 ( -1.902 0.000 -0.392) 1.942 5.575 ( -0.058 0.000 2.185) 2.186 5.593 ( -1.689 0.000 1.112) 2.022 5.798 ( 4.517 0.000 -0.542) 4.549 5.850 ( 0.026 0.000 -2.595) 2.595 6.041 ( 1.256 0.000 4.530) 4.701 6.117 ( -5.973 0.000 5.886) 8.386 6.195 ( 4.258 0.000 -1.250) 4.438 6.307 ( -6.654 0.000 -1.626) 6.850 6.686 ( 4.862 0.000 6.328) 7.980 6.792 ( -4.835 0.000 5.434) 7.273 6.973 ( 4.085 0.000 -3.595) 5.442 7.095 ( -7.393 0.000 -5.187) 9.031 7.576 ( 8.197 0.000 10.171) 13.063 7.722 ( -5.786 0.000 7.932) 9.818 8.036 ( 7.118 0.000 -5.008) 8.704 8.186 ( -7.320 0.000 -7.551) 10.516 9.224 ( 0.461 0.000 0.735) 0.868 9.238 ( -0.903 0.000 0.058) 0.905 10.055 ( 0.597 0.000 0.211) 0.633 10.065 ( -0.332 0.000 -0.252) 0.416 11.335 ( 8.158 0.000 6.239) 10.270 11.463 ( -4.624 0.000 4.263) 6.289 11.644 ( 3.694 0.000 -7.693) 8.534 11.693 ( -0.711 0.000 -8.800) 8.828 13.683 ( 2.194 0.000 2.599) 3.401 13.735 ( -2.968 0.000 0.640) 3.036 14.655 ( 4.079 0.000 -6.292) 7.499 14.717 ( -1.840 0.000 -9.502) 9.679 19.319 ( 0.247 0.000 0.059) 0.254 19.321 ( 0.071 0.000 -0.029) 0.077 20.590 ( 0.221 0.000 0.122) 0.253 20.596 ( -0.390 0.000 -0.183) 0.431 21.497 ( -2.386 0.000 12.760) 12.981 21.501 ( -3.095 0.000 13.798) 14.141 22.540 ( 5.279 0.000 -6.812) 8.618 22.662 ( -6.932 0.000 -11.349) 13.299 23.898 ( -2.177 0.000 6.449) 6.806 23.907 ( -3.323 0.000 6.647) 7.432 24.340 ( 2.489 0.000 0.126) 2.492 24.369 ( -0.498 0.000 -0.816) 0.956 ======================= Grid point 105 (37/64) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 1.139 14.217) 14.263 0.775 ( 0.000 -1.750 6.704) 6.929 0.964 ( 0.000 28.111 4.973) 28.547 1.151 ( 0.000 39.170 3.087) 39.292 1.250 ( 0.000 -3.962 -8.629) 9.496 1.530 ( 0.000 12.536 1.771) 12.660 1.656 ( 0.000 3.885 -11.408) 12.052 1.684 ( 0.000 3.392 0.013) 3.392 1.737 ( 0.000 2.068 -9.398) 9.623 1.826 ( 0.000 6.319 -6.069) 8.761 1.963 ( 0.000 7.274 3.750) 8.183 1.996 ( 0.000 7.373 0.531) 7.392 2.362 ( 0.000 1.430 17.899) 17.956 2.517 ( 0.000 2.699 1.257) 2.978 2.564 ( 0.000 3.935 0.631) 3.986 2.763 ( 0.000 5.499 -1.936) 5.830 2.812 ( 0.000 13.623 2.221) 13.803 3.195 ( 0.000 1.120 6.686) 6.779 3.237 ( 0.000 -2.306 0.376) 2.336 3.271 ( 0.000 1.359 11.265) 11.346 3.363 ( 0.000 -0.972 -11.101) 11.143 3.509 ( 0.000 -5.972 0.719) 6.015 3.642 ( 0.000 -6.079 5.799) 8.402 3.648 ( 0.000 3.613 -9.706) 10.357 3.810 ( 0.000 -3.464 -2.297) 4.156 3.931 ( 0.000 1.281 -7.435) 7.544 3.946 ( 0.000 3.796 7.077) 8.031 4.193 ( 0.000 -2.093 0.708) 2.209 4.529 ( 0.000 4.371 -2.987) 5.294 4.816 ( 0.000 -7.268 -13.138) 15.014 5.268 ( 0.000 -0.984 3.328) 3.470 5.371 ( 0.000 7.820 -1.932) 8.055 5.432 ( 0.000 -17.876 -0.797) 17.893 5.472 ( 0.000 -1.464 -4.636) 4.862 5.713 ( 0.000 1.291 2.562) 2.868 5.809 ( 0.000 0.190 -1.754) 1.764 6.090 ( 0.000 -0.921 1.667) 1.905 6.164 ( 0.000 4.692 -1.337) 4.879 6.377 ( 0.000 -5.899 3.372) 6.795 6.478 ( 0.000 0.572 7.941) 7.962 6.513 ( 0.000 -8.800 -2.754) 9.221 6.748 ( 0.000 -6.540 -3.939) 7.635 7.236 ( 0.000 -17.988 7.304) 19.414 7.260 ( 0.000 2.175 10.434) 10.659 7.295 ( 0.000 -7.350 1.394) 7.481 7.618 ( 0.000 -1.737 -6.911) 7.126 8.105 ( 0.000 6.195 10.934) 12.567 8.479 ( 0.000 1.173 -7.724) 7.812 9.394 ( 0.000 9.682 0.500) 9.695 9.522 ( 0.000 19.714 -9.444) 21.860 10.034 ( 0.000 0.582 0.947) 1.111 10.075 ( 0.000 0.568 -1.020) 1.167 10.861 ( 0.000 -0.061 2.686) 2.687 10.960 ( 0.000 0.124 -2.196) 2.199 11.541 ( 0.000 0.424 0.962) 1.051 11.585 ( 0.000 0.040 -1.254) 1.255 13.642 ( 0.000 0.187 4.309) 4.313 13.829 ( 0.000 -0.215 -4.953) 4.957 14.393 ( 0.000 -7.731 2.887) 8.252 14.500 ( 0.000 -9.561 -1.910) 9.750 19.433 ( 0.000 11.360 1.280) 11.432 19.590 ( 0.000 22.572 -10.454) 24.876 20.719 ( 0.000 12.019 -0.038) 12.019 20.728 ( 0.000 10.292 -0.353) 10.298 21.633 ( 0.000 -0.570 8.722) 8.741 22.024 ( 0.000 -1.169 -11.261) 11.322 22.519 ( 0.000 -5.464 11.262) 12.517 22.998 ( 0.000 -3.914 -13.803) 14.348 23.979 ( 0.000 -6.803 7.809) 10.357 24.087 ( 0.000 -1.400 12.627) 12.704 24.157 ( 0.000 -6.312 -2.639) 6.841 24.457 ( 0.000 -10.675 -2.299) 10.920 ======================= Grid point 106 (38/64) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 10.242 -0.295 12.083) 15.843 0.928 ( 9.126 5.403 0.014) 10.605 0.991 ( 5.119 21.299 5.644) 22.621 1.153 ( 0.247 36.687 2.075) 36.746 1.330 ( 6.896 -2.789 -4.294) 8.589 1.515 ( -0.703 9.226 1.451) 9.366 1.652 ( -0.216 6.246 -2.323) 6.668 1.690 ( -0.896 2.437 -6.890) 7.362 1.739 ( 0.643 5.633 -4.596) 7.299 1.846 ( 1.514 8.622 -4.103) 9.668 1.929 ( -1.893 4.746 2.514) 5.694 2.022 ( 1.520 6.225 -1.617) 6.609 2.437 ( 6.880 3.102 14.441) 16.294 2.534 ( 1.860 1.474 0.967) 2.563 2.606 ( 4.406 3.376 1.278) 5.696 2.762 ( 0.602 8.368 -2.089) 8.646 2.821 ( 1.041 10.543 1.038) 10.645 3.198 ( 0.122 0.877 7.090) 7.145 3.240 ( 2.647 -0.189 3.837) 4.666 3.342 ( 2.890 -1.195 4.866) 5.784 3.422 ( 6.634 -1.390 -13.419) 15.034 3.551 ( 3.293 -6.389 2.887) 7.746 3.612 ( 0.513 -1.281 -2.569) 2.916 3.654 ( -2.362 2.541 7.327) 8.107 3.752 ( -4.802 -2.399 -7.867) 9.524 3.921 ( -0.484 -2.212 3.868) 4.482 3.954 ( -0.174 2.941 -3.042) 4.235 4.204 ( 1.005 -1.553 0.154) 1.856 4.524 ( -0.603 4.393 -2.737) 5.210 4.776 ( -3.956 -7.630 -13.757) 16.221 5.262 ( -0.374 -0.411 2.889) 2.942 5.354 ( -1.537 7.233 -1.700) 7.587 5.430 ( -0.147 -16.209 -0.498) 16.217 5.467 ( -0.810 -2.452 -4.299) 5.015 5.725 ( 1.312 1.853 2.204) 3.164 5.811 ( 0.329 0.207 -1.580) 1.628 6.082 ( -0.780 -0.806 1.676) 2.017 6.160 ( -0.327 3.889 -1.383) 4.141 6.340 ( -3.851 -4.793 4.125) 7.404 6.443 ( -2.093 -1.972 3.239) 4.331 6.525 ( 0.122 -8.470 1.760) 8.652 6.747 ( 0.380 -4.850 -4.021) 6.312 7.112 ( -8.956 -9.754 9.090) 16.061 7.267 ( -3.936 -9.565 -0.133) 10.344 7.320 ( 5.415 3.364 9.769) 11.665 7.661 ( 4.372 -0.787 -6.882) 8.191 8.077 ( -2.716 5.807 10.426) 12.239 8.437 ( -3.911 1.338 -7.448) 8.518 9.382 ( -1.117 9.369 0.193) 9.437 9.434 ( -5.642 15.820 -3.387) 17.134 10.058 ( 1.325 2.052 -0.030) 2.443 10.079 ( 0.362 0.913 -0.802) 1.268 10.949 ( 8.175 -0.013 4.229) 9.204 11.200 ( 17.971 -3.669 -10.381) 21.076 11.543 ( 0.016 0.266 0.979) 1.014 11.596 ( 1.203 -0.290 -1.599) 2.022 13.643 ( 0.202 0.369 4.203) 4.224 13.826 ( -0.638 -0.242 -4.569) 4.620 14.406 ( 1.697 -8.128 1.456) 8.430 14.532 ( 2.480 -10.820 -3.911) 11.769 19.440 ( 0.640 11.716 1.135) 11.788 19.580 ( -0.983 22.091 -9.144) 23.929 20.706 ( -1.003 9.765 0.488) 9.828 20.728 ( -0.256 11.205 -0.807) 11.237 21.615 ( -1.842 -0.266 8.936) 9.127 21.918 ( -10.602 0.281 -1.315) 10.687 22.453 ( -3.363 -2.784 8.177) 9.269 22.934 ( -5.925 -3.283 -14.383) 15.898 24.004 ( 0.102 -7.450 5.985) 9.557 24.055 ( -2.505 -2.110 11.209) 11.677 24.168 ( 0.920 -5.833 -0.986) 5.987 24.362 ( -6.353 -7.296 0.244) 9.677 ======================= Grid point 107 (39/64) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 10.269 -1.109 5.712) 11.803 0.995 ( 1.886 28.365 0.365) 28.430 1.135 ( 1.425 23.570 -2.793) 23.777 1.177 ( 3.132 5.413 -3.343) 7.091 1.463 ( 4.835 3.906 5.133) 8.061 1.522 ( 1.429 3.057 2.332) 4.102 1.647 ( -0.239 9.197 0.925) 9.247 1.687 ( 1.721 5.026 0.810) 5.374 1.753 ( 1.294 4.625 -6.141) 7.796 1.834 ( -1.726 10.207 2.166) 10.576 1.942 ( 1.888 2.121 -3.705) 4.668 2.016 ( -2.338 7.012 -5.031) 8.941 2.557 ( 3.917 9.092 5.965) 11.558 2.652 ( 8.651 -0.454 1.384) 8.773 2.713 ( 5.497 1.822 2.491) 6.304 2.782 ( 3.567 7.253 0.459) 8.096 2.917 ( 8.394 7.960 4.199) 12.307 3.214 ( 1.345 0.369 6.288) 6.441 3.313 ( 3.958 0.929 0.961) 4.178 3.360 ( -0.560 -1.611 2.334) 2.891 3.546 ( -6.374 3.542 14.747) 16.451 3.565 ( 1.327 -3.664 -8.019) 8.915 3.617 ( 4.296 -4.211 -1.588) 6.222 3.659 ( 0.020 1.395 -11.412) 11.497 3.685 ( 3.974 -2.337 4.038) 6.129 3.883 ( -3.548 -5.448 0.455) 6.517 3.958 ( 1.130 1.257 -3.954) 4.300 4.222 ( 0.224 0.269 -2.801) 2.822 4.497 ( -2.226 2.902 -2.128) 4.231 4.663 ( -7.034 -8.718 -14.363) 18.215 5.265 ( 0.962 1.506 2.001) 2.683 5.325 ( -0.995 7.204 -0.983) 7.338 5.421 ( -0.998 -12.002 -0.043) 12.043 5.437 ( -1.975 -5.904 -1.803) 6.481 5.767 ( 2.854 2.041 0.825) 3.604 5.830 ( 1.618 -0.084 -1.426) 2.158 6.060 ( -1.354 -0.638 2.363) 2.797 6.156 ( -0.227 1.073 -1.620) 1.957 6.241 ( -5.231 -1.437 5.346) 7.617 6.375 ( -4.935 -5.604 -0.335) 7.474 6.549 ( 3.118 -4.808 5.122) 7.686 6.773 ( 1.822 -3.673 -3.864) 5.634 6.952 ( -6.271 -4.240 7.075) 10.361 7.154 ( -6.713 -7.532 -2.519) 10.399 7.461 ( 8.294 4.146 9.329) 13.153 7.771 ( 5.394 0.816 -5.218) 7.549 8.011 ( -3.031 4.193 8.055) 9.574 8.334 ( -6.252 0.851 -7.136) 9.526 9.353 ( -1.982 10.596 0.043) 10.779 9.359 ( -1.643 9.803 -0.123) 9.941 10.077 ( 0.670 2.643 -0.115) 2.729 10.086 ( 0.288 1.441 -0.479) 1.546 11.145 ( 10.422 -0.108 6.073) 12.063 11.487 ( 8.296 -3.303 -8.827) 12.556 11.535 ( -0.095 -0.722 -1.181) 1.387 11.634 ( 2.273 -1.801 -3.971) 4.917 13.656 ( 1.174 0.589 3.608) 3.839 13.795 ( -2.382 0.178 -2.271) 3.296 14.463 ( 3.644 -9.471 -2.150) 10.373 14.574 ( 1.348 -12.316 -6.626) 14.050 19.458 ( 1.152 12.840 0.626) 12.907 19.553 ( -1.658 20.375 -5.941) 21.288 20.687 ( -0.690 7.494 0.681) 7.556 20.717 ( -0.817 10.436 -1.153) 10.532 21.565 ( -2.879 0.850 9.695) 10.149 21.679 ( -10.785 3.649 11.856) 16.438 22.448 ( 2.521 -1.297 -0.689) 2.917 22.793 ( -7.541 -1.958 -13.792) 15.840 23.939 ( -4.732 -4.108 6.794) 9.242 23.969 ( -6.192 -4.225 7.588) 10.666 24.212 ( 3.362 -5.617 1.197) 6.655 24.303 ( -0.303 -6.097 -0.543) 6.128 ======================= Grid point 108 (40/64) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 7.489 6.713 -0.685) 10.081 1.026 ( 0.606 28.350 -0.445) 28.360 1.130 ( -0.291 18.459 -4.512) 19.005 1.169 ( -3.388 -3.211 -8.236) 9.467 1.521 ( 1.773 10.406 5.653) 11.975 1.541 ( -0.042 6.585 3.897) 7.652 1.656 ( 1.751 6.609 5.500) 8.775 1.700 ( -1.526 4.038 5.918) 7.325 1.810 ( 2.306 4.924 -4.818) 7.265 1.818 ( 0.294 7.524 -2.852) 8.052 1.953 ( -0.359 6.216 -3.595) 7.190 1.970 ( -1.238 4.061 -5.434) 6.896 2.627 ( 3.119 9.043 1.593) 9.697 2.678 ( -1.919 8.605 -1.301) 8.912 2.894 ( 7.769 -1.518 5.141) 9.439 2.910 ( 5.577 0.372 0.490) 5.610 3.093 ( 8.207 5.429 12.594) 15.982 3.252 ( -3.115 1.803 10.404) 11.009 3.278 ( 0.379 1.095 5.985) 6.096 3.406 ( -3.128 4.670 4.981) 7.511 3.415 ( -0.286 2.174 -0.319) 2.215 3.481 ( -4.678 -0.450 -5.585) 7.299 3.682 ( 4.276 -6.473 2.392) 8.118 3.737 ( 1.848 -7.423 -5.222) 9.262 3.761 ( 1.205 1.193 4.367) 4.684 3.805 ( -3.439 -5.298 -0.201) 6.319 4.033 ( 7.346 3.381 -12.942) 15.261 4.181 ( -5.201 3.639 -9.542) 11.461 4.461 ( -0.023 -3.471 -3.862) 5.193 4.523 ( -5.943 -8.870 -10.706) 15.120 5.301 ( 2.216 7.239 1.036) 7.641 5.321 ( 0.268 11.702 -0.124) 11.706 5.392 ( -1.404 -10.863 0.618) 10.970 5.396 ( -1.862 -14.421 0.674) 14.556 5.830 ( 3.052 0.946 -0.209) 3.202 5.861 ( 0.532 -0.244 -1.462) 1.575 6.044 ( 0.523 -1.037 3.695) 3.873 6.101 ( -4.620 -2.101 2.826) 5.810 6.206 ( 1.855 0.734 0.857) 2.172 6.273 ( -4.610 -2.830 -0.427) 5.426 6.643 ( 5.772 -3.058 4.715) 8.056 6.756 ( -4.601 -2.717 3.040) 6.148 6.914 ( 3.181 -4.842 -2.043) 6.143 7.019 ( -6.437 -6.005 -3.699) 9.548 7.633 ( 8.497 4.759 8.643) 13.022 7.779 ( -5.204 4.704 5.721) 9.052 8.041 ( 6.409 0.156 -3.391) 7.253 8.192 ( -7.769 0.134 -6.544) 10.159 9.330 ( -0.282 9.485 0.422) 9.499 9.336 ( -0.795 8.957 0.153) 8.993 10.086 ( 0.316 2.416 -0.129) 2.440 10.089 ( 0.014 1.928 -0.257) 1.945 11.335 ( 8.224 -0.015 5.596) 9.947 11.464 ( -4.663 0.084 3.792) 6.011 11.619 ( 3.645 -2.529 -7.791) 8.966 11.660 ( -0.285 -2.809 -6.820) 7.381 13.690 ( 2.209 0.701 2.418) 3.350 13.741 ( -2.824 0.609 0.471) 2.927 14.534 ( 3.120 -10.983 -5.144) 12.523 14.577 ( -1.097 -12.215 -6.908) 14.076 19.485 ( 1.530 14.838 -0.500) 14.925 19.518 ( -1.774 17.601 -2.663) 17.889 20.684 ( 0.348 7.030 -0.093) 7.039 20.698 ( -0.961 8.557 -0.970) 8.666 21.517 ( -1.345 2.802 11.368) 11.785 21.535 ( -3.668 4.325 13.282) 14.442 22.530 ( 5.286 -1.070 -6.379) 8.354 22.650 ( -6.669 -1.202 -10.784) 12.736 23.862 ( -2.090 -3.447 6.527) 7.671 23.871 ( -2.903 -2.839 6.532) 7.691 24.272 ( 2.298 -6.309 0.239) 6.719 24.300 ( -0.523 -6.436 -0.570) 6.482 ======================= Grid point 112 (41/64) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.000 4.724 0.608) 4.763 0.752 ( 0.000 -1.002 -7.733) 7.798 1.191 ( 0.000 -0.481 -1.730) 1.795 1.271 ( 0.000 4.675 -1.126) 4.808 1.699 ( 0.000 3.716 -1.183) 3.900 1.701 ( 0.000 -4.093 -0.734) 4.158 1.717 ( 0.000 4.585 -3.140) 5.557 1.765 ( 0.000 3.495 -5.558) 6.566 1.886 ( 0.000 21.005 1.827) 21.085 2.010 ( 0.000 9.141 -4.930) 10.386 2.135 ( 0.000 6.779 6.273) 9.236 2.305 ( 0.000 15.697 -3.248) 16.030 2.423 ( 0.000 9.616 7.810) 12.388 2.571 ( 0.000 6.471 -5.143) 8.266 2.724 ( 0.000 9.106 2.747) 9.511 2.944 ( 0.000 9.089 1.091) 9.154 3.152 ( 0.000 17.369 1.749) 17.457 3.176 ( 0.000 -3.564 0.128) 3.567 3.208 ( 0.000 0.590 5.232) 5.265 3.291 ( 0.000 -4.062 1.665) 4.390 3.328 ( 0.000 2.492 9.405) 9.729 3.444 ( 0.000 1.060 -4.009) 4.147 3.522 ( 0.000 -0.670 -5.043) 5.087 3.741 ( 0.000 4.823 -9.183) 10.373 3.805 ( 0.000 2.551 -0.547) 2.609 3.998 ( 0.000 5.288 -7.033) 8.799 4.082 ( 0.000 8.392 14.826) 17.037 4.105 ( 0.000 -5.880 2.004) 6.212 4.519 ( 0.000 -5.294 -7.290) 9.010 4.656 ( 0.000 -8.231 -3.288) 8.864 4.978 ( 0.000 -20.282 2.500) 20.435 5.006 ( 0.000 -22.440 0.275) 22.441 5.582 ( 0.000 10.638 -0.940) 10.679 5.652 ( 0.000 10.816 -5.786) 12.266 5.738 ( 0.000 2.079 0.691) 2.191 5.794 ( 0.000 -0.911 -0.678) 1.136 6.034 ( 0.000 -4.258 1.308) 4.454 6.219 ( 0.000 -0.376 -5.030) 5.044 6.246 ( 0.000 -5.488 2.841) 6.179 6.257 ( 0.000 -11.769 2.996) 12.144 6.489 ( 0.000 0.337 2.567) 2.589 6.625 ( 0.000 -4.783 -3.730) 6.065 7.043 ( 0.000 -3.664 7.070) 7.963 7.138 ( 0.000 -6.138 1.759) 6.385 7.342 ( 0.000 4.319 7.737) 8.861 7.570 ( 0.000 -2.740 -3.617) 4.538 8.228 ( 0.000 5.433 6.998) 8.859 8.465 ( 0.000 -1.931 -4.679) 5.062 9.631 ( 0.000 11.997 2.639) 12.284 9.839 ( 0.000 10.522 -8.985) 13.836 10.047 ( 0.000 0.485 0.618) 0.785 10.075 ( 0.000 -0.892 -0.754) 1.168 10.867 ( 0.000 0.691 1.638) 1.778 10.956 ( 0.000 -0.676 -2.493) 2.584 11.554 ( 0.000 0.734 0.763) 1.058 11.585 ( 0.000 -0.078 -0.853) 0.857 13.656 ( 0.000 1.404 3.357) 3.639 13.822 ( 0.000 -0.601 -4.983) 5.019 14.201 ( 0.000 -9.478 3.014) 9.946 14.286 ( 0.000 -10.110 -1.070) 10.166 19.729 ( 0.000 15.845 3.430) 16.212 20.016 ( 0.000 15.355 -13.501) 20.446 20.990 ( 0.000 13.483 0.284) 13.486 21.032 ( 0.000 16.262 -3.477) 16.630 21.629 ( 0.000 0.870 6.185) 6.246 21.980 ( 0.000 -3.392 -12.137) 12.602 22.439 ( 0.000 -0.593 11.035) 11.051 22.900 ( 0.000 -5.310 -13.273) 14.296 23.787 ( 0.000 -10.453 7.743) 13.008 23.972 ( 0.000 -10.992 -2.692) 11.317 24.067 ( 0.000 -0.326 11.649) 11.654 24.259 ( 0.000 -7.651 5.061) 9.173 ======================= Grid point 113 (42/64) ======================= q-point: ( 0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 9.627 6.555 1.887) 11.798 0.886 ( 11.381 -2.060 -6.773) 13.403 1.275 ( 7.044 0.854 -0.825) 7.143 1.322 ( 4.841 3.974 -0.962) 6.337 1.625 ( -4.656 0.583 -3.783) 6.027 1.627 ( -4.359 5.388 -2.208) 7.273 1.753 ( 1.080 -0.287 0.028) 1.117 1.810 ( 1.797 4.844 1.333) 5.335 1.943 ( 4.062 14.863 -2.543) 15.616 2.036 ( 2.844 9.913 -4.857) 11.399 2.102 ( -2.239 11.043 6.131) 12.828 2.298 ( -0.785 14.476 -3.356) 14.881 2.491 ( 6.495 7.436 4.597) 10.890 2.597 ( 2.972 6.377 -5.468) 8.911 2.761 ( 3.612 9.725 5.504) 11.744 2.972 ( 3.221 10.800 0.142) 11.271 3.128 ( -2.355 15.708 0.277) 15.886 3.199 ( 1.571 -0.110 2.401) 2.871 3.245 ( 3.164 -0.284 3.339) 4.608 3.299 ( 2.279 -1.765 5.643) 6.337 3.387 ( 4.472 -2.072 0.363) 4.942 3.460 ( 1.635 -0.589 -3.514) 3.920 3.554 ( 3.277 0.647 -2.099) 3.945 3.732 ( -2.563 4.143 -0.960) 4.966 3.750 ( -3.291 2.469 -6.816) 7.962 3.974 ( -3.047 5.993 2.010) 7.017 4.053 ( -1.990 3.840 1.055) 4.452 4.143 ( 2.958 -1.852 8.045) 8.770 4.509 ( -1.416 -6.058 -7.098) 9.439 4.623 ( -3.324 -6.877 -4.027) 8.635 4.966 ( -0.995 -20.793 2.215) 20.934 5.002 ( -0.366 -22.437 0.023) 22.440 5.581 ( 0.086 11.014 -0.378) 11.021 5.651 ( -0.435 11.803 -5.592) 13.068 5.749 ( 1.285 1.110 0.772) 1.865 5.798 ( 0.451 -0.747 -0.655) 1.091 6.025 ( -0.839 -4.279 1.427) 4.588 6.185 ( -2.934 -3.214 -2.156) 4.856 6.230 ( -1.958 -6.358 3.673) 7.599 6.254 ( -0.024 -7.004 -0.939) 7.067 6.483 ( -0.060 0.588 2.865) 2.925 6.642 ( 1.569 -4.790 -4.073) 6.481 6.991 ( -4.603 -2.698 6.698) 8.563 7.104 ( -3.445 -6.204 0.901) 7.154 7.405 ( 6.035 4.571 7.429) 10.607 7.628 ( 5.522 -2.226 -3.772) 7.048 8.196 ( -3.232 5.329 6.763) 9.197 8.429 ( -3.614 -1.741 -4.740) 6.210 9.616 ( -1.289 12.147 1.874) 12.358 9.732 ( -7.063 12.039 -3.936) 14.502 10.075 ( 1.059 -0.915 -0.102) 1.403 10.102 ( 1.939 0.609 -1.658) 2.623 10.952 ( 7.948 0.502 2.697) 8.408 11.116 ( 13.340 -4.070 -5.831) 15.117 11.552 ( -0.273 0.601 0.819) 1.052 11.590 ( 0.445 -0.381 -1.063) 1.213 13.661 ( 0.515 1.591 3.273) 3.675 13.822 ( -0.138 -0.182 -4.638) 4.643 14.199 ( 0.098 -10.428 2.407) 10.703 14.294 ( 0.523 -11.069 -1.774) 11.222 19.746 ( 1.656 16.427 3.135) 16.806 20.018 ( 0.041 16.819 -13.120) 21.331 20.924 ( -5.467 10.195 1.552) 11.672 21.014 ( -2.443 13.577 -3.840) 14.320 21.632 ( 0.347 3.118 6.727) 7.423 21.943 ( -3.842 2.011 -6.884) 8.136 22.403 ( -2.130 -0.848 8.723) 9.020 22.852 ( -4.552 -4.597 -13.018) 14.537 23.803 ( 0.903 -10.591 7.199) 12.838 23.964 ( -1.571 -9.021 -0.232) 9.160 24.051 ( -0.816 -2.478 8.653) 9.038 24.209 ( -3.949 -6.680 4.404) 8.923 ======================= Grid point 114 (43/64) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 9.752 6.965 1.316) 12.056 1.092 ( 7.571 -0.703 -8.445) 11.364 1.378 ( 1.305 7.418 -0.472) 7.547 1.437 ( 3.185 2.153 -0.879) 3.944 1.549 ( -1.415 0.824 -2.156) 2.708 1.573 ( 1.132 0.717 -3.263) 3.527 1.753 ( -1.221 -1.098 2.933) 3.361 1.818 ( -0.602 0.197 3.032) 3.097 2.005 ( 2.108 12.649 -2.780) 13.122 2.073 ( 0.367 20.391 1.916) 20.484 2.115 ( 3.410 10.012 -2.970) 10.986 2.271 ( -1.857 13.594 -4.063) 14.309 2.669 ( 10.366 5.200 -0.069) 11.597 2.701 ( 7.221 5.376 -4.197) 9.933 2.847 ( 4.461 11.181 8.190) 14.560 3.042 ( 0.367 15.019 -1.460) 15.095 3.105 ( 2.862 8.889 2.242) 9.603 3.238 ( 3.154 1.999 4.884) 6.148 3.332 ( 2.365 0.629 1.588) 2.917 3.343 ( 4.285 1.289 2.153) 4.966 3.453 ( 1.838 -3.887 0.843) 4.382 3.528 ( 3.665 -2.894 -3.596) 5.894 3.616 ( -3.560 0.683 -3.147) 4.800 3.656 ( 2.705 3.389 5.123) 6.712 3.719 ( 0.172 2.917 -5.349) 6.095 3.880 ( -5.640 5.627 6.495) 10.279 4.022 ( -0.591 2.668 -4.515) 5.278 4.200 ( 2.123 -0.929 5.515) 5.982 4.439 ( -5.692 -9.336 -7.190) 13.086 4.525 ( -6.501 -3.637 -4.351) 8.627 4.950 ( -0.278 -21.968 1.569) 22.026 4.993 ( -0.545 -22.367 -0.220) 22.374 5.589 ( 0.615 11.849 0.084) 11.866 5.634 ( -1.061 12.431 -3.119) 12.861 5.786 ( 2.146 0.162 -0.175) 2.159 5.815 ( 1.209 -0.823 -0.836) 1.685 6.003 ( -1.278 -3.884 2.063) 4.580 6.110 ( -4.327 -5.187 -0.659) 6.787 6.192 ( -1.275 -3.870 2.831) 4.961 6.248 ( -0.766 -4.122 -0.931) 4.295 6.510 ( 3.086 0.283 2.481) 3.970 6.683 ( 2.516 -4.553 -4.425) 6.830 6.885 ( -5.571 -1.913 5.409) 7.997 7.010 ( -5.610 -5.855 -0.503) 8.124 7.561 ( 8.989 5.056 6.634) 12.263 7.770 ( 8.138 -1.000 -4.003) 9.124 8.105 ( -5.553 4.664 6.216) 9.551 8.326 ( -6.533 -1.574 -4.750) 8.229 9.589 ( -1.233 12.556 0.877) 12.647 9.622 ( -3.727 13.265 -0.747) 13.799 10.094 ( 0.892 -0.957 0.147) 1.317 10.123 ( 0.337 0.488 -1.298) 1.427 11.145 ( 10.436 0.379 3.963) 11.170 11.377 ( 11.084 -6.319 -7.810) 14.959 11.534 ( -1.793 0.379 1.189) 2.184 11.600 ( 0.445 -1.459 -1.973) 2.494 13.680 ( 1.453 1.966 2.879) 3.777 13.808 ( -1.445 1.147 -2.743) 3.305 14.215 ( 1.506 -12.985 0.044) 13.072 14.299 ( -0.151 -12.920 -2.937) 13.251 19.795 ( 3.199 18.166 2.026) 18.556 20.008 ( -1.423 20.442 -10.888) 23.205 20.812 ( -4.692 3.229 3.322) 6.594 20.935 ( -5.108 7.380 -3.996) 9.825 21.645 ( 0.982 8.393 7.779) 11.486 21.838 ( -5.840 11.970 3.255) 13.711 22.402 ( 2.299 -3.109 1.222) 4.055 22.737 ( -6.531 -3.686 -11.680) 13.881 23.798 ( -1.325 -7.790 7.214) 10.699 23.895 ( -4.618 -3.695 4.517) 7.442 24.061 ( 1.514 -8.102 2.683) 8.668 24.147 ( -1.920 -7.961 1.688) 8.362 ======================= Grid point 115 (44/64) ======================= q-point: ( 0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 9.382 6.315 -3.235) 11.763 1.158 ( -2.104 3.560 -8.156) 9.144 1.346 ( -0.788 5.611 -4.002) 6.937 1.394 ( -4.171 4.705 -4.871) 7.953 1.595 ( 4.005 -0.716 2.291) 4.669 1.643 ( 1.029 -0.554 3.324) 3.524 1.735 ( 1.153 -3.351 0.147) 3.547 1.786 ( -2.500 -3.693 1.000) 4.570 2.044 ( 1.997 17.049 -0.032) 17.165 2.075 ( -0.749 19.764 0.495) 19.784 2.176 ( 2.813 12.577 -3.893) 13.463 2.228 ( -2.372 14.050 -4.097) 14.826 2.820 ( 4.703 7.844 -2.264) 9.421 2.846 ( 3.401 6.973 -3.495) 8.509 2.943 ( 5.692 7.658 6.402) 11.490 3.018 ( -1.616 10.725 0.410) 10.853 3.182 ( 3.891 4.067 5.064) 7.571 3.266 ( -3.214 0.084 3.586) 4.816 3.368 ( 4.743 6.237 4.898) 9.240 3.441 ( -0.940 -1.138 0.469) 1.549 3.471 ( 3.093 4.671 0.387) 5.615 3.526 ( -2.384 1.612 3.547) 4.567 3.591 ( 1.284 -0.461 -0.169) 1.374 3.630 ( -2.824 2.094 1.469) 3.810 3.787 ( 1.758 1.875 1.232) 2.850 3.827 ( 0.445 5.012 4.452) 6.719 4.063 ( 6.072 -0.082 -11.104) 12.656 4.202 ( -3.626 -1.063 -3.824) 5.376 4.321 ( -3.093 -10.259 -4.739) 11.716 4.380 ( -6.819 -4.497 -2.543) 8.555 4.958 ( 0.948 -22.782 1.058) 22.826 4.979 ( -0.900 -22.820 0.411) 22.841 5.603 ( 0.695 12.637 -0.068) 12.656 5.616 ( -0.709 12.819 -0.951) 12.874 5.826 ( 1.671 -0.961 -0.711) 2.055 5.839 ( 0.658 -1.432 -1.321) 2.056 5.986 ( 0.156 -3.293 2.347) 4.046 6.026 ( -3.640 -4.200 0.848) 5.622 6.190 ( 0.963 -2.551 1.857) 3.298 6.221 ( -1.781 -2.529 0.639) 3.158 6.603 ( 5.838 -0.425 1.801) 6.125 6.708 ( -2.692 -1.635 -0.775) 3.243 6.811 ( 0.867 -4.501 0.632) 4.627 6.894 ( -5.671 -5.495 -1.660) 8.069 7.745 ( 9.040 5.629 5.760) 12.107 7.882 ( -1.597 4.586 1.283) 5.023 8.033 ( 2.845 -0.687 0.319) 2.944 8.176 ( -8.251 -1.790 -4.311) 9.480 9.572 ( -0.404 13.037 0.483) 13.052 9.577 ( -1.075 13.304 0.234) 13.349 10.111 ( 0.705 -0.622 -0.063) 0.943 10.122 ( -0.376 -0.078 -0.595) 0.708 11.338 ( 8.352 0.434 3.673) 9.134 11.469 ( -4.691 0.434 2.425) 5.299 11.538 ( 4.999 -4.972 -6.260) 9.429 11.596 ( -1.191 -3.132 -3.846) 5.101 13.718 ( 2.322 2.297 1.893) 3.775 13.767 ( -2.437 2.186 -0.037) 3.273 14.252 ( 1.966 -14.719 -2.462) 15.052 14.285 ( -1.213 -14.459 -3.398) 14.902 19.871 ( 4.271 20.742 -0.647) 21.187 19.955 ( -3.777 22.443 -5.648) 23.449 20.770 ( 0.724 -0.742 1.284) 1.650 20.831 ( -4.779 1.469 -2.290) 5.499 21.675 ( 2.174 13.499 8.411) 16.053 21.737 ( -4.102 15.627 7.708) 17.901 22.483 ( 5.355 -4.010 -4.626) 8.134 22.604 ( -6.591 -3.750 -8.755) 11.583 23.778 ( 0.023 -3.858 6.542) 7.595 23.811 ( -3.264 -2.382 5.474) 6.804 24.095 ( 1.628 -10.273 0.648) 10.422 24.121 ( -1.075 -10.105 0.239) 10.164 ======================= Grid point 119 (45/64) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 0.000 4.878 -11.899) 12.860 0.701 ( 0.000 -3.816 -15.513) 15.975 1.244 ( 0.000 4.517 -2.371) 5.101 1.308 ( 0.000 -0.537 -5.016) 5.044 1.629 ( 0.000 -1.337 5.861) 6.012 1.670 ( 0.000 -3.770 3.817) 5.365 1.763 ( 0.000 1.044 -2.280) 2.508 1.785 ( 0.000 -0.719 -3.334) 3.411 2.152 ( 0.000 4.493 -1.422) 4.713 2.187 ( 0.000 4.727 2.367) 5.287 2.208 ( 0.000 6.365 -0.865) 6.424 2.363 ( 0.000 -4.699 -3.962) 6.147 2.699 ( 0.000 11.313 -0.559) 11.327 2.794 ( 0.000 4.732 -5.107) 6.962 2.894 ( 0.000 6.945 2.831) 7.500 2.996 ( 0.000 -2.714 -1.502) 3.102 3.120 ( 0.000 -0.152 5.365) 5.367 3.173 ( 0.000 -2.979 3.645) 4.707 3.290 ( 0.000 1.155 -1.141) 1.624 3.300 ( 0.000 -0.721 -0.187) 0.745 3.546 ( 0.000 6.516 0.562) 6.540 3.555 ( 0.000 15.172 7.033) 16.723 3.603 ( 0.000 4.763 -3.590) 5.965 3.880 ( 0.000 -8.867 6.474) 10.979 3.912 ( 0.000 10.663 -5.712) 12.097 3.998 ( 0.000 17.678 0.669) 17.690 4.204 ( 0.000 10.014 -9.056) 13.502 4.246 ( 0.000 0.403 0.554) 0.685 4.327 ( 0.000 -7.089 5.401) 8.912 4.475 ( 0.000 -9.101 7.982) 12.106 4.518 ( 0.000 -22.195 -0.253) 22.197 4.555 ( 0.000 -18.607 -2.097) 18.725 5.728 ( 0.000 1.831 -0.027) 1.831 5.731 ( 0.000 0.543 0.144) 0.562 5.819 ( 0.000 4.562 -0.761) 4.625 5.882 ( 0.000 4.929 -4.165) 6.453 5.949 ( 0.000 -1.101 -2.878) 3.081 6.058 ( 0.000 -6.878 -4.123) 8.019 6.178 ( 0.000 -0.892 2.725) 2.867 6.198 ( 0.000 -2.022 0.243) 2.036 6.497 ( 0.000 0.893 -0.739) 1.159 6.541 ( 0.000 -3.297 -2.835) 4.348 7.012 ( 0.000 0.109 4.487) 4.488 7.044 ( 0.000 -3.028 2.752) 4.092 7.431 ( 0.000 4.100 4.580) 6.147 7.507 ( 0.000 -3.317 0.589) 3.369 8.329 ( 0.000 4.371 2.452) 5.012 8.410 ( 0.000 -3.355 -1.483) 3.669 9.855 ( 0.000 9.118 2.334) 9.412 9.968 ( 0.000 0.904 -2.489) 2.648 10.035 ( 0.000 -1.620 -0.898) 1.852 10.047 ( 0.000 -0.631 -0.723) 0.959 10.892 ( 0.000 1.693 -0.453) 1.753 10.930 ( 0.000 -1.760 -2.092) 2.734 11.569 ( 0.000 0.699 0.293) 0.758 11.580 ( 0.000 -0.387 -0.296) 0.488 13.707 ( 0.000 3.582 1.155) 3.764 13.788 ( 0.000 -3.216 -2.945) 4.361 14.065 ( 0.000 -2.251 1.992) 3.006 14.113 ( 0.000 -6.042 -0.474) 6.061 20.030 ( 0.000 11.881 2.548) 12.151 20.169 ( 0.000 -0.470 -4.134) 4.161 21.223 ( 0.000 7.808 -0.259) 7.813 21.271 ( 0.000 4.399 -4.060) 5.986 21.712 ( 0.000 7.445 -3.565) 8.255 21.874 ( 0.000 -6.867 -11.608) 13.487 22.533 ( 0.000 9.520 6.114) 11.315 22.757 ( 0.000 -9.573 -5.446) 11.014 23.637 ( 0.000 -1.631 4.165) 4.473 23.740 ( 0.000 -10.012 -1.329) 10.099 24.080 ( 0.000 1.662 9.917) 10.055 24.139 ( 0.000 -4.172 7.956) 8.983 ======================= Grid point 120 (46/64) ======================= q-point: ( 0.14 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 12.423 5.483 -7.871) 15.695 0.848 ( 12.235 -2.139 -11.071) 16.638 1.307 ( 5.867 2.859 -2.790) 7.097 1.356 ( 4.429 -0.623 -4.808) 6.566 1.611 ( -1.716 0.526 3.840) 4.239 1.678 ( -1.278 -3.969 3.731) 5.595 1.714 ( -2.142 2.433 -0.816) 3.343 1.785 ( -1.260 -3.602 -1.496) 4.098 2.176 ( 2.230 6.086 -1.546) 6.664 2.211 ( 1.812 7.939 -2.580) 8.542 2.227 ( 2.644 1.600 1.789) 3.571 2.358 ( -0.273 -4.339 -3.971) 5.888 2.723 ( 2.734 9.387 -2.198) 10.021 2.790 ( 0.525 4.050 -5.103) 6.536 2.954 ( 5.356 8.888 4.402) 11.272 3.074 ( 7.290 -1.281 -0.647) 7.430 3.159 ( 3.993 -1.057 2.604) 4.883 3.199 ( 0.773 -3.699 0.637) 3.833 3.295 ( 2.213 3.473 1.839) 4.510 3.342 ( 3.281 -1.732 -0.280) 3.720 3.536 ( -1.158 6.475 0.846) 6.632 3.554 ( 0.305 17.714 6.537) 18.884 3.603 ( -0.057 0.850 -3.573) 3.673 3.862 ( -1.617 -3.854 5.189) 6.663 3.890 ( -1.804 11.304 -5.623) 12.753 3.990 ( -0.677 11.966 3.177) 12.399 4.147 ( -4.654 4.035 -6.284) 8.800 4.255 ( 0.271 4.365 4.257) 6.103 4.332 ( -0.656 -4.074 1.510) 4.394 4.458 ( -1.943 -13.510 4.147) 14.265 4.507 ( -1.517 -17.484 -0.592) 17.560 4.546 ( -0.233 -19.436 -0.241) 19.439 5.735 ( 0.857 2.258 0.279) 2.431 5.749 ( 1.384 0.075 -0.352) 1.430 5.812 ( -0.655 4.235 -1.032) 4.408 5.867 ( -1.418 3.203 -3.255) 4.782 5.957 ( 0.893 0.995 -2.735) 3.045 6.054 ( -0.473 -5.489 -3.620) 6.592 6.155 ( -1.877 -1.112 2.670) 3.447 6.180 ( -1.537 -3.028 -0.273) 3.407 6.502 ( 0.681 1.448 -0.503) 1.677 6.554 ( 1.334 -3.579 -2.800) 4.736 6.970 ( -3.825 0.450 4.242) 5.730 7.008 ( -3.479 -3.201 2.398) 5.301 7.497 ( 6.259 4.124 4.147) 8.566 7.572 ( 6.133 -3.142 0.263) 6.896 8.296 ( -3.364 4.348 2.321) 5.968 8.375 ( -3.432 -3.301 -1.581) 5.017 9.849 ( -0.537 9.689 1.855) 9.879 9.931 ( -2.942 6.641 -2.139) 7.572 10.020 ( -0.083 -3.859 0.992) 3.985 10.071 ( 0.591 -3.773 -1.702) 4.181 10.978 ( 8.032 2.118 -0.010) 8.306 11.038 ( 9.604 -3.457 -2.854) 10.599 11.566 ( -0.374 0.713 0.253) 0.844 11.580 ( -0.120 -0.580 -0.437) 0.736 13.716 ( 0.915 3.819 1.191) 4.104 13.799 ( 1.099 -2.956 -3.034) 4.376 14.047 ( -1.703 -2.467 2.101) 3.660 14.103 ( -1.014 -6.762 -0.777) 6.882 20.058 ( 2.848 12.345 2.405) 12.895 20.198 ( 2.856 0.191 -4.351) 5.208 21.100 ( -10.687 6.621 -0.900) 12.604 21.173 ( -8.941 0.918 -4.281) 9.955 21.777 ( 5.441 9.753 -1.738) 11.303 21.940 ( 5.566 -4.191 -9.935) 12.135 22.487 ( -4.333 9.709 6.585) 12.505 22.717 ( -3.950 -9.564 -5.320) 11.635 23.651 ( 1.388 -1.776 3.997) 4.589 23.749 ( 0.868 -9.615 -1.153) 9.723 24.044 ( -3.386 1.237 9.010) 9.704 24.098 ( -3.767 -3.991 7.044) 8.929 ======================= Grid point 121 (47/64) ======================= q-point: ( 0.29 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 10.426 7.789 -4.449) 13.754 1.090 ( 10.608 -0.775 -7.925) 13.264 1.439 ( 5.709 0.561 -3.695) 6.824 1.462 ( 5.352 -0.144 -3.758) 6.541 1.552 ( -3.476 1.018 -1.153) 3.801 1.593 ( -5.733 1.055 -1.349) 5.983 1.697 ( -1.279 -2.409 4.088) 4.915 1.744 ( -2.485 -4.652 1.180) 5.404 2.222 ( 2.477 8.166 -1.537) 8.670 2.269 ( 3.234 4.871 -2.874) 6.515 2.295 ( 3.303 2.356 -0.200) 4.062 2.362 ( 0.733 -2.937 -3.122) 4.349 2.820 ( 6.819 5.456 -4.045) 9.625 2.841 ( 4.707 3.735 -5.120) 7.895 3.059 ( 3.919 8.528 5.045) 10.655 3.169 ( -2.059 -2.138 -1.691) 3.417 3.247 ( 7.609 3.314 0.985) 8.357 3.296 ( 8.383 -1.185 1.891) 8.675 3.364 ( 3.796 3.992 4.215) 6.936 3.428 ( 6.105 -1.229 -1.152) 6.333 3.505 ( -1.146 7.273 2.132) 7.665 3.569 ( -0.304 9.825 0.305) 9.835 3.606 ( 1.191 3.812 1.343) 4.213 3.826 ( -1.956 9.134 2.345) 9.631 3.865 ( 0.434 4.725 -2.532) 5.378 3.978 ( -1.352 7.866 6.599) 10.356 4.042 ( -4.365 1.164 -3.800) 5.903 4.234 ( -4.460 -3.470 -1.596) 5.872 4.276 ( -2.991 3.812 4.483) 6.601 4.412 ( -5.050 -7.944 -2.813) 9.825 4.448 ( -1.444 -24.513 2.470) 24.679 4.544 ( -1.003 -18.059 0.887) 18.109 5.756 ( 1.135 2.674 -0.018) 2.905 5.778 ( 1.315 -0.607 -0.665) 1.594 5.798 ( -0.641 3.504 -1.334) 3.804 5.836 ( -1.323 1.072 -2.444) 2.978 5.980 ( 1.050 3.848 -0.708) 4.051 6.033 ( -1.478 -0.909 -1.227) 2.125 6.121 ( -1.412 -2.654 1.545) 3.380 6.154 ( -0.858 -5.280 -0.950) 5.433 6.536 ( 3.010 2.120 -0.243) 3.689 6.597 ( 3.068 -3.678 -2.653) 5.475 6.873 ( -5.635 0.749 3.391) 6.619 6.915 ( -5.483 -3.330 1.446) 6.577 7.658 ( 9.380 4.229 3.297) 10.805 7.731 ( 9.283 -2.750 -0.434) 9.692 8.198 ( -6.371 4.189 2.139) 7.919 8.275 ( -6.512 -3.217 -1.687) 7.457 9.839 ( -0.313 10.861 1.150) 10.926 9.878 ( -2.086 10.885 -0.779) 11.111 10.025 ( 0.475 -5.785 0.962) 5.883 10.069 ( -0.581 -5.939 -1.146) 6.077 11.173 ( 10.462 2.539 0.554) 10.779 11.254 ( 10.779 -5.169 -3.425) 12.435 11.548 ( -1.708 0.925 0.236) 1.957 11.571 ( -0.915 -1.318 -0.924) 1.851 13.746 ( 2.082 4.497 1.226) 5.105 13.828 ( 1.604 -0.918 -2.950) 3.481 14.005 ( -2.228 -4.546 2.023) 5.452 14.071 ( -2.164 -8.436 -1.341) 8.811 20.143 ( 5.669 13.893 1.826) 15.116 20.280 ( 5.129 3.233 -5.019) 7.871 20.856 ( -12.656 3.405 0.403) 13.113 20.958 ( -11.685 -4.091 -4.367) 13.128 21.897 ( 6.237 13.349 1.013) 14.769 22.060 ( 5.687 2.392 -6.956) 9.298 22.384 ( -5.111 6.079 6.292) 10.132 22.607 ( -6.782 -9.889 -4.855) 12.937 23.689 ( 2.349 -0.947 3.930) 4.676 23.774 ( 1.544 -7.485 -0.449) 7.656 23.960 ( -4.616 -0.540 6.791) 8.229 24.009 ( -4.664 -4.845 4.601) 8.148 ======================= Grid point 122 (48/64) ======================= q-point: ( 0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 8.863 8.395 -4.940) 13.170 1.257 ( 5.746 3.572 -7.329) 9.974 1.408 ( -5.381 1.763 -5.320) 7.769 1.443 ( -6.711 -0.139 -5.729) 8.825 1.569 ( 4.462 -0.638 0.050) 4.508 1.599 ( 4.150 -2.631 -1.305) 5.084 1.655 ( -2.488 -2.739 2.362) 4.389 1.687 ( -3.275 -4.608 0.853) 5.717 2.275 ( 2.481 7.198 -0.946) 7.672 2.303 ( -0.019 5.750 -1.176) 5.869 2.348 ( 2.036 1.696 -2.576) 3.696 2.372 ( -0.259 -0.346 -2.667) 2.702 2.954 ( 5.716 4.370 -3.602) 8.046 2.966 ( 6.104 3.450 -4.041) 8.093 3.083 ( -1.408 1.831 -0.321) 2.332 3.108 ( -3.457 -1.651 -2.182) 4.409 3.358 ( 2.727 7.074 4.193) 8.664 3.387 ( 0.891 8.861 3.194) 9.462 3.433 ( 3.887 -0.670 3.486) 5.264 3.502 ( 0.791 -0.508 3.581) 3.703 3.532 ( -0.554 7.599 0.880) 7.670 3.603 ( -2.403 13.183 4.708) 14.203 3.652 ( 11.432 1.174 1.727) 11.621 3.810 ( -1.237 10.767 -1.120) 10.895 3.879 ( -2.643 -0.991 5.736) 6.393 3.911 ( 0.096 10.382 -1.959) 10.565 4.060 ( 3.802 -4.902 -1.781) 6.454 4.117 ( -3.178 -0.165 -5.931) 6.731 4.222 ( -3.286 0.861 1.730) 3.813 4.259 ( -8.062 -4.490 1.409) 9.335 4.457 ( 1.456 -23.780 0.442) 23.829 4.501 ( -2.710 -20.945 0.386) 21.123 5.775 ( 0.760 2.880 -0.638) 3.046 5.787 ( -0.444 3.087 -1.374) 3.408 5.801 ( 1.003 -1.087 -0.670) 1.624 5.819 ( -0.694 -0.704 -1.657) 1.930 5.991 ( 0.437 4.998 0.894) 5.096 6.008 ( -1.126 3.860 0.275) 4.030 6.112 ( 0.690 -4.925 0.692) 5.021 6.135 ( -1.228 -5.774 -0.152) 5.905 6.623 ( 5.475 2.129 0.312) 5.882 6.675 ( 4.263 -2.248 -1.834) 5.156 6.756 ( -5.489 -0.075 2.020) 5.849 6.799 ( -5.910 -3.642 0.048) 6.943 7.853 ( 9.714 4.605 2.507) 11.039 7.923 ( 9.087 -1.483 -1.058) 9.268 8.049 ( -7.844 2.944 2.127) 8.645 8.121 ( -8.673 -3.340 -1.490) 9.413 9.838 ( 0.206 11.921 0.658) 11.941 9.849 ( -0.943 12.222 0.122) 12.259 10.037 ( 0.725 -6.714 0.410) 6.765 10.053 ( -0.857 -6.800 -0.345) 6.862 11.363 ( 8.122 2.270 0.631) 8.457 11.434 ( 7.014 -4.493 -2.852) 8.805 11.488 ( -4.455 1.517 0.383) 4.722 11.534 ( -3.142 -2.766 -1.812) 4.561 13.797 ( 2.816 5.528 0.904) 6.270 13.841 ( -0.960 4.847 -1.001) 5.042 13.982 ( 0.579 -10.245 0.154) 10.263 14.021 ( -2.680 -10.404 -1.481) 10.845 20.278 ( 7.374 17.147 0.015) 18.666 20.367 ( 1.224 14.654 -4.938) 15.512 20.658 ( -4.399 -7.598 1.486) 8.904 20.738 ( -9.558 -9.251 -2.873) 13.608 22.020 ( 5.944 17.104 2.755) 18.316 22.112 ( -1.900 17.263 0.087) 17.367 22.344 ( 2.812 -8.904 -0.053) 9.338 22.461 ( -7.366 -10.834 -3.970) 13.689 23.744 ( 3.100 1.475 4.214) 5.436 23.793 ( -0.683 0.275 2.564) 2.668 23.890 ( -1.063 -7.395 2.910) 8.018 23.925 ( -3.520 -7.679 2.042) 8.691 ======================= Grid point 147 (49/64) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 0.000 -2.508) 2.508 0.543 ( 0.000 0.000 2.508) 2.508 0.789 ( 0.000 0.000 -16.699) 16.699 0.789 ( 0.000 0.000 16.699) 16.699 1.372 ( 0.000 0.000 -16.245) 16.245 1.372 ( 0.000 0.000 16.245) 16.245 1.464 ( 0.000 0.000 -7.832) 7.832 1.464 ( 0.000 0.000 7.832) 7.832 1.678 ( 0.000 0.000 -3.506) 3.506 1.678 ( 0.000 0.000 3.506) 3.506 1.949 ( 0.000 0.000 -1.852) 1.852 1.949 ( 0.000 0.000 1.852) 1.852 2.558 ( 0.000 0.000 -2.881) 2.881 2.558 ( 0.000 0.000 2.881) 2.881 2.640 ( 0.000 0.000 -4.197) 4.197 2.640 ( 0.000 0.000 4.197) 4.197 2.856 ( 0.000 0.000 -27.871) 27.871 2.856 ( 0.000 0.000 27.871) 27.871 3.284 ( 0.000 0.000 -2.460) 2.460 3.284 ( 0.000 0.000 2.460) 2.460 3.449 ( 0.000 0.000 -8.734) 8.734 3.449 ( 0.000 0.000 8.734) 8.734 3.755 ( 0.000 0.000 -6.823) 6.823 3.755 ( 0.000 0.000 6.823) 6.823 3.844 ( 0.000 0.000 -1.428) 1.428 3.844 ( 0.000 0.000 1.428) 1.428 4.058 ( 0.000 0.000 -15.112) 15.112 4.058 ( 0.000 0.000 15.112) 15.112 4.575 ( 0.000 0.000 -13.708) 13.708 4.575 ( 0.000 0.000 13.708) 13.708 5.231 ( 0.000 0.000 -3.279) 3.279 5.231 ( 0.000 0.000 3.279) 3.279 5.676 ( 0.000 0.000 -4.832) 4.832 5.676 ( 0.000 0.000 4.832) 4.832 5.680 ( 0.000 0.000 -0.469) 0.469 5.680 ( 0.000 0.000 0.469) 0.469 6.096 ( 0.000 0.000 -0.067) 0.067 6.096 ( 0.000 0.000 0.067) 0.067 6.511 ( 0.000 0.000 -4.283) 4.283 6.511 ( 0.000 0.000 4.283) 4.283 6.695 ( 0.000 0.000 -10.142) 10.142 6.695 ( 0.000 0.000 10.142) 10.142 7.432 ( 0.000 0.000 -10.738) 10.738 7.432 ( 0.000 0.000 10.738) 10.738 7.478 ( 0.000 0.000 -5.721) 5.721 7.478 ( 0.000 0.000 5.721) 5.721 8.242 ( 0.000 0.000 -11.223) 11.223 8.242 ( 0.000 0.000 11.223) 11.223 9.256 ( 0.000 0.000 -1.753) 1.753 9.256 ( 0.000 0.000 1.753) 1.753 10.047 ( 0.000 0.000 -1.105) 1.105 10.047 ( 0.000 0.000 1.105) 1.105 10.915 ( 0.000 0.000 -2.660) 2.660 10.915 ( 0.000 0.000 2.660) 2.660 11.558 ( 0.000 0.000 -1.355) 1.355 11.558 ( 0.000 0.000 1.355) 1.355 13.734 ( 0.000 0.000 -5.387) 5.387 13.734 ( 0.000 0.000 5.387) 5.387 14.544 ( 0.000 0.000 -3.878) 3.878 14.544 ( 0.000 0.000 3.878) 3.878 19.305 ( 0.000 0.000 -0.209) 0.209 19.305 ( 0.000 0.000 0.209) 0.209 20.601 ( 0.000 0.000 -0.780) 0.780 20.601 ( 0.000 0.000 0.780) 0.780 21.829 ( 0.000 0.000 -11.033) 11.033 21.829 ( 0.000 0.000 11.033) 11.033 22.800 ( 0.000 0.000 -12.648) 12.648 22.800 ( 0.000 0.000 12.648) 12.648 24.159 ( 0.000 0.000 -4.428) 4.428 24.159 ( 0.000 0.000 4.428) 4.428 24.365 ( 0.000 0.000 -14.109) 14.109 24.365 ( 0.000 0.000 14.109) 14.109 ======================= Grid point 149 (50/64) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -0.306 0.000 -3.112) 3.127 0.540 ( -0.306 0.000 3.112) 3.127 0.909 ( 9.582 0.000 -14.895) 17.711 0.909 ( 9.582 0.000 14.895) 17.711 1.468 ( 0.344 0.000 -7.403) 7.411 1.468 ( 0.344 0.000 7.403) 7.411 1.473 ( 8.951 0.000 -13.149) 15.907 1.473 ( 8.951 0.000 13.149) 15.907 1.657 ( -1.753 0.000 -2.902) 3.391 1.657 ( -1.753 0.000 2.902) 3.391 1.942 ( -1.078 0.000 -3.024) 3.211 1.942 ( -1.078 0.000 3.024) 3.211 2.562 ( 0.268 0.000 -5.020) 5.027 2.562 ( 0.268 0.000 5.020) 5.027 2.636 ( 1.111 0.000 -4.343) 4.483 2.636 ( 1.111 0.000 4.343) 4.483 2.943 ( 8.448 0.000 -27.334) 28.610 2.943 ( 8.448 0.000 27.334) 28.610 3.293 ( 0.883 0.000 -1.235) 1.518 3.293 ( 0.883 0.000 1.235) 1.518 3.457 ( 0.059 0.000 -9.033) 9.033 3.457 ( 0.059 0.000 9.033) 9.033 3.731 ( -0.737 0.000 -2.763) 2.859 3.731 ( -0.737 0.000 2.763) 2.859 3.908 ( 4.335 0.000 -5.180) 6.755 3.908 ( 4.335 0.000 5.180) 6.755 4.026 ( -3.340 0.000 -16.984) 17.309 4.026 ( -3.340 0.000 16.984) 17.309 4.556 ( -1.822 0.000 -12.488) 12.620 4.556 ( -1.822 0.000 12.488) 12.620 5.214 ( -1.549 0.000 -3.039) 3.411 5.214 ( -1.549 0.000 3.039) 3.411 5.662 ( -1.635 0.000 -0.876) 1.855 5.662 ( -1.635 0.000 0.876) 1.855 5.694 ( 1.795 0.000 -4.444) 4.793 5.694 ( 1.795 0.000 4.444) 4.793 6.092 ( -0.306 0.000 -0.956) 1.004 6.092 ( -0.306 0.000 0.956) 1.004 6.482 ( -3.177 0.000 -3.408) 4.659 6.482 ( -3.177 0.000 3.408) 4.659 6.695 ( 0.361 0.000 -7.888) 7.896 6.695 ( 0.361 0.000 7.888) 7.896 7.361 ( -9.991 0.000 -4.922) 11.137 7.361 ( -9.991 0.000 4.922) 11.137 7.483 ( 4.821 0.000 -10.661) 11.701 7.483 ( 4.821 0.000 10.661) 11.701 8.216 ( -2.640 0.000 -11.098) 11.407 8.216 ( -2.640 0.000 11.098) 11.407 9.251 ( -0.384 0.000 -1.582) 1.628 9.251 ( -0.384 0.000 1.582) 1.628 10.050 ( 0.239 0.000 -1.016) 1.044 10.050 ( 0.239 0.000 1.016) 1.044 11.060 ( 12.340 0.000 -7.440) 14.409 11.060 ( 12.340 0.000 7.440) 14.409 11.566 ( 0.651 0.000 -1.718) 1.838 11.566 ( 0.651 0.000 1.718) 1.838 13.733 ( -0.137 0.000 -5.439) 5.441 13.733 ( -0.137 0.000 5.439) 5.441 14.555 ( 1.126 0.000 -4.724) 4.856 14.555 ( 1.126 0.000 4.724) 4.856 19.308 ( 0.286 0.000 -0.192) 0.344 19.308 ( 0.286 0.000 0.192) 0.344 20.599 ( -0.150 0.000 -0.705) 0.720 20.599 ( -0.150 0.000 0.705) 0.720 21.800 ( -2.997 0.000 -9.556) 10.015 21.800 ( -2.997 0.000 9.556) 10.015 22.709 ( -7.590 0.000 -13.840) 15.784 22.709 ( -7.590 0.000 13.840) 15.784 24.167 ( -0.996 0.000 -3.481) 3.620 24.167 ( -0.996 0.000 3.481) 3.620 24.313 ( -3.009 0.000 -10.374) 10.802 24.313 ( -3.009 0.000 10.374) 10.802 ======================= Grid point 151 (51/64) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -0.144 0.000 -3.092) 3.095 0.535 ( -0.144 0.000 3.092) 3.095 1.077 ( 6.029 0.000 -11.144) 12.670 1.077 ( 6.029 0.000 11.144) 12.670 1.474 ( 0.215 0.000 -5.800) 5.804 1.474 ( 0.215 0.000 5.800) 5.804 1.622 ( -1.483 0.000 -1.855) 2.375 1.622 ( -1.483 0.000 1.855) 2.375 1.665 ( 8.754 0.000 -6.326) 10.800 1.665 ( 8.754 0.000 6.326) 10.800 1.897 ( -2.927 0.000 -1.996) 3.543 1.897 ( -2.927 0.000 1.996) 3.543 2.565 ( 0.025 0.000 -4.135) 4.135 2.565 ( 0.025 0.000 4.135) 4.135 2.737 ( 8.933 0.000 -2.296) 9.223 2.737 ( 8.933 0.000 2.296) 9.223 3.169 ( 13.464 0.000 -26.244) 29.496 3.169 ( 13.464 0.000 26.244) 29.496 3.317 ( 1.296 0.000 -1.289) 1.828 3.317 ( 1.296 0.000 1.289) 1.828 3.431 ( -2.569 0.000 -8.482) 8.863 3.431 ( -2.569 0.000 8.482) 8.863 3.741 ( 1.487 0.000 -3.996) 4.264 3.741 ( 1.487 0.000 3.996) 4.264 3.918 ( -7.611 0.000 -21.059) 22.392 3.918 ( -7.611 0.000 21.059) 22.392 3.968 ( 0.975 0.000 -5.132) 5.224 3.968 ( 0.975 0.000 5.132) 5.224 4.513 ( -2.114 0.000 -8.780) 9.031 4.513 ( -2.114 0.000 8.780) 9.031 5.180 ( -1.497 0.000 -2.227) 2.684 5.180 ( -1.497 0.000 2.227) 2.684 5.626 ( -1.800 0.000 -1.013) 2.065 5.626 ( -1.800 0.000 1.013) 2.065 5.746 ( 3.298 0.000 -3.535) 4.835 5.746 ( 3.298 0.000 3.535) 4.835 6.092 ( 0.573 0.000 -2.443) 2.510 6.092 ( 0.573 0.000 2.443) 2.510 6.381 ( -6.598 0.000 -4.924) 8.233 6.381 ( -6.598 0.000 4.924) 8.233 6.725 ( 2.797 0.000 -6.194) 6.796 6.725 ( 2.797 0.000 6.194) 6.796 7.152 ( -9.861 0.000 -6.911) 12.042 7.152 ( -9.861 0.000 6.911) 12.042 7.609 ( 7.328 0.000 -10.126) 12.499 7.609 ( 7.328 0.000 10.126) 12.499 8.140 ( -4.791 0.000 -10.432) 11.480 8.140 ( -4.791 0.000 10.432) 11.480 9.242 ( -0.468 0.000 -1.099) 1.195 9.242 ( -0.468 0.000 1.099) 1.195 10.055 ( 0.297 0.000 -0.734) 0.792 10.055 ( 0.297 0.000 0.734) 0.792 11.309 ( 11.047 0.000 -10.871) 15.499 11.309 ( 11.047 0.000 10.871) 15.499 11.577 ( 0.190 0.000 -3.385) 3.390 11.577 ( 0.190 0.000 3.385) 3.390 13.729 ( -0.206 0.000 -4.387) 4.392 13.729 ( -0.206 0.000 4.387) 4.392 14.584 ( 1.547 0.000 -4.391) 4.656 14.584 ( 1.547 0.000 4.391) 4.656 19.315 ( 0.358 0.000 -0.139) 0.384 19.315 ( 0.358 0.000 0.139) 0.384 20.596 ( -0.189 0.000 -0.491) 0.526 20.596 ( -0.189 0.000 0.491) 0.526 21.716 ( -4.873 0.000 -5.019) 6.995 21.716 ( -4.873 0.000 5.019) 6.995 22.568 ( -5.360 0.000 -11.351) 12.552 22.568 ( -5.360 0.000 11.351) 12.552 24.071 ( -6.656 0.000 -1.970) 6.941 24.071 ( -6.656 0.000 1.970) 6.941 24.316 ( 1.973 0.000 -3.628) 4.129 24.316 ( 1.973 0.000 3.628) 4.129 ======================= Grid point 153 (52/64) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 0.017 0.000 -1.305) 1.305 0.534 ( 0.017 0.000 1.305) 1.305 1.146 ( 1.350 0.000 -4.575) 4.770 1.146 ( 1.350 0.000 4.575) 4.770 1.476 ( -0.000 0.000 -2.287) 2.287 1.476 ( -0.000 0.000 2.287) 2.287 1.603 ( -0.454 0.000 -0.720) 0.851 1.603 ( -0.454 0.000 0.720) 0.851 1.773 ( 1.570 0.000 -8.448) 8.592 1.773 ( 1.570 0.000 8.448) 8.592 1.865 ( 0.318 0.000 -7.092) 7.099 1.865 ( 0.318 0.000 7.092) 7.099 2.564 ( -0.019 0.000 -1.504) 1.504 2.564 ( -0.019 0.000 1.504) 1.504 2.922 ( 6.920 0.000 -0.876) 6.975 2.922 ( 6.920 0.000 0.876) 6.975 3.331 ( -0.177 0.000 -3.917) 3.921 3.331 ( -0.177 0.000 3.917) 3.921 3.377 ( -1.847 0.000 -3.285) 3.769 3.377 ( -1.847 0.000 3.285) 3.769 3.451 ( 14.061 0.000 -25.132) 28.798 3.451 ( 14.061 0.000 25.132) 28.798 3.723 ( -11.679 0.000 -23.812) 26.522 3.723 ( -11.679 0.000 23.812) 26.522 3.781 ( 2.090 0.000 -1.351) 2.489 3.781 ( 2.090 0.000 1.351) 2.489 3.947 ( -2.126 0.000 -2.171) 3.038 3.947 ( -2.126 0.000 2.171) 3.038 4.482 ( -0.859 0.000 -3.149) 3.264 4.482 ( -0.859 0.000 3.149) 3.264 5.161 ( -0.435 0.000 -0.831) 0.938 5.161 ( -0.435 0.000 0.831) 0.938 5.599 ( -0.726 0.000 -0.448) 0.853 5.599 ( -0.726 0.000 0.448) 0.853 5.809 ( 2.292 0.000 -1.623) 2.808 5.809 ( 2.292 0.000 1.623) 2.808 6.123 ( 2.554 0.000 -3.863) 4.631 6.123 ( 2.554 0.000 3.863) 4.631 6.245 ( -6.048 0.000 -4.845) 7.750 6.245 ( -6.048 0.000 4.845) 7.750 6.798 ( 3.779 0.000 -4.930) 6.212 6.798 ( 3.779 0.000 4.930) 6.212 6.989 ( -5.910 0.000 -5.368) 7.984 6.989 ( -5.910 0.000 5.368) 7.984 7.746 ( 5.187 0.000 -6.481) 8.301 7.746 ( 5.187 0.000 6.481) 8.301 8.041 ( -4.114 0.000 -6.592) 7.771 8.041 ( -4.114 0.000 6.592) 7.771 9.235 ( -0.205 0.000 -0.393) 0.443 9.235 ( -0.205 0.000 0.393) 0.443 10.060 ( 0.132 0.000 -0.270) 0.301 10.060 ( 0.132 0.000 0.270) 0.301 11.478 ( 5.978 0.000 -8.952) 10.765 11.478 ( 5.978 0.000 8.952) 10.765 11.560 ( -2.144 0.000 -6.031) 6.401 11.560 ( -2.144 0.000 6.031) 6.401 13.726 ( -0.099 0.000 -1.672) 1.675 13.726 ( -0.099 0.000 1.672) 1.675 14.608 ( 0.723 0.000 -1.759) 1.902 14.608 ( 0.723 0.000 1.759) 1.902 19.320 ( 0.160 0.000 -0.051) 0.168 19.320 ( 0.160 0.000 0.051) 0.168 20.593 ( -0.085 0.000 -0.176) 0.196 20.593 ( -0.085 0.000 0.176) 0.196 21.637 ( -2.380 0.000 -1.088) 2.617 21.637 ( -2.380 0.000 1.088) 2.617 22.504 ( -1.362 0.000 -4.067) 4.289 22.504 ( -1.362 0.000 4.067) 4.289 23.968 ( -2.946 0.000 -0.439) 2.979 23.968 ( -2.946 0.000 0.440) 2.979 24.349 ( 0.933 0.000 -0.991) 1.361 24.349 ( 0.933 0.000 0.991) 1.361 ======================= Grid point 161 (53/64) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.000 -4.665 -12.326) 13.179 0.707 ( 0.000 -4.665 12.326) 13.179 1.065 ( 0.000 24.912 -6.086) 25.645 1.065 ( 0.000 24.912 6.086) 25.645 1.368 ( 0.000 7.463 -14.702) 16.488 1.368 ( 0.000 7.463 14.702) 16.488 1.609 ( 0.000 10.499 -6.271) 12.229 1.609 ( 0.000 10.499 6.271) 12.229 1.731 ( 0.000 3.410 -4.275) 5.469 1.731 ( 0.000 3.410 4.275) 5.469 2.001 ( 0.000 6.294 -0.668) 6.329 2.001 ( 0.000 6.294 0.668) 6.329 2.522 ( 0.000 -3.173 -1.016) 3.331 2.522 ( 0.000 -3.173 1.016) 3.331 2.708 ( 0.000 7.087 -6.789) 9.814 2.708 ( 0.000 7.087 6.789) 9.814 2.966 ( 0.000 9.160 -17.955) 20.156 2.966 ( 0.000 9.160 17.955) 20.156 3.288 ( 0.000 0.345 -2.460) 2.484 3.288 ( 0.000 0.345 2.460) 2.484 3.468 ( 0.000 1.972 -9.448) 9.651 3.468 ( 0.000 1.972 9.448) 9.651 3.605 ( 0.000 -11.420 -5.390) 12.628 3.605 ( 0.000 -11.420 5.390) 12.628 3.807 ( 0.000 -0.992 -3.735) 3.864 3.807 ( 0.000 -0.992 3.735) 3.864 4.157 ( 0.000 5.649 -7.790) 9.623 4.157 ( 0.000 5.649 7.790) 9.623 4.565 ( 0.000 -1.510 -9.468) 9.587 4.565 ( 0.000 -1.510 9.468) 9.587 5.327 ( 0.000 5.235 -2.865) 5.968 5.327 ( 0.000 5.235 2.865) 5.968 5.427 ( 0.000 -12.160 -0.642) 12.177 5.427 ( 0.000 -12.160 0.642) 12.177 5.767 ( 0.000 1.297 -2.834) 3.117 5.767 ( 0.000 1.297 2.834) 3.117 6.129 ( 0.000 1.605 -2.257) 2.770 6.129 ( 0.000 1.605 2.257) 2.770 6.445 ( 0.000 -6.726 -3.971) 7.811 6.445 ( 0.000 -6.726 3.971) 7.811 6.633 ( 0.000 -4.686 -8.085) 9.345 6.633 ( 0.000 -4.686 8.085) 9.345 7.301 ( 0.000 -10.394 -1.010) 10.443 7.301 ( 0.000 -10.394 1.010) 10.443 7.457 ( 0.000 0.557 -10.205) 10.221 7.457 ( 0.000 0.557 10.205) 10.221 8.308 ( 0.000 3.748 -10.508) 11.156 8.308 ( 0.000 3.748 10.508) 11.156 9.420 ( 0.000 13.407 -2.729) 13.682 9.420 ( 0.000 13.407 2.729) 13.682 10.054 ( 0.000 0.557 -1.150) 1.278 10.054 ( 0.000 0.557 1.150) 1.278 10.914 ( 0.000 -0.129 -2.797) 2.800 10.914 ( 0.000 -0.129 2.797) 2.800 11.561 ( 0.000 0.286 -1.235) 1.267 11.561 ( 0.000 0.286 1.235) 1.267 13.732 ( 0.000 -0.154 -5.293) 5.296 13.732 ( 0.000 -0.154 5.293) 5.296 14.450 ( 0.000 -8.209 -3.160) 8.796 14.450 ( 0.000 -8.209 3.160) 8.796 19.474 ( 0.000 14.816 -3.519) 15.228 19.474 ( 0.000 14.816 3.519) 15.228 20.722 ( 0.000 10.969 -0.296) 10.973 20.722 ( 0.000 10.969 0.296) 10.973 21.816 ( 0.000 -1.295 -10.877) 10.953 21.816 ( 0.000 -1.295 10.877) 10.953 22.746 ( 0.000 -4.492 -13.250) 13.991 22.746 ( 0.000 -4.492 13.250) 13.991 24.090 ( 0.000 -6.583 -4.665) 8.068 24.090 ( 0.000 -6.583 4.665) 8.068 24.319 ( 0.000 -3.747 -11.159) 11.771 24.319 ( 0.000 -3.747 11.159) 11.771 ======================= Grid point 163 (54/64) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 7.596 -2.634 -12.076) 14.507 0.808 ( 7.596 -2.634 12.076) 14.507 1.088 ( 1.698 26.462 -5.719) 27.126 1.088 ( 1.698 26.462 5.719) 27.126 1.434 ( 6.275 2.418 -11.320) 13.167 1.434 ( 6.275 2.418 11.320) 13.167 1.607 ( -0.113 10.016 -4.852) 11.130 1.607 ( -0.113 10.016 4.852) 11.130 1.752 ( 1.909 6.326 -4.862) 8.203 1.752 ( 1.909 6.326 4.862) 8.203 1.988 ( -1.576 5.647 -2.705) 6.457 1.988 ( -1.576 5.647 2.705) 6.457 2.536 ( 2.173 -2.422 -0.879) 3.371 2.536 ( 2.173 -2.422 0.879) 3.371 2.723 ( 1.029 8.596 -3.249) 9.247 2.723 ( 1.029 8.596 3.249) 9.247 3.018 ( 6.027 6.293 -20.824) 22.573 3.018 ( 6.027 6.293 20.824) 22.574 3.295 ( 0.822 0.221 -1.202) 1.473 3.295 ( 0.822 0.221 1.202) 1.473 3.471 ( -0.395 1.283 -10.239) 10.327 3.471 ( -0.395 1.283 10.239) 10.327 3.631 ( 2.380 -8.957 -3.482) 9.900 3.631 ( 2.380 -8.957 3.482) 9.900 3.812 ( 0.142 -2.623 -7.147) 7.615 3.812 ( 0.142 -2.623 7.147) 7.615 4.145 ( -1.456 6.087 -9.523) 11.395 4.145 ( -1.456 6.087 9.523) 11.395 4.541 ( -2.275 -1.839 -7.323) 7.886 4.541 ( -2.275 -1.839 7.323) 7.886 5.315 ( -1.010 4.856 -2.565) 5.584 5.315 ( -1.010 4.856 2.565) 5.584 5.427 ( -0.090 -11.257 -0.523) 11.269 5.427 ( -0.090 -11.257 0.523) 11.269 5.772 ( 0.650 1.406 -2.584) 3.013 5.772 ( 0.650 1.406 2.584) 3.013 6.122 ( -0.565 1.474 -2.366) 2.844 6.122 ( -0.565 1.474 2.366) 2.844 6.415 ( -3.081 -6.643 -3.879) 8.286 6.415 ( -3.081 -6.643 3.879) 8.286 6.635 ( 0.551 -4.453 -7.558) 8.789 6.635 ( 0.551 -4.453 7.558) 8.789 7.228 ( -6.642 -8.745 -3.980) 11.680 7.228 ( -6.642 -8.745 3.980) 11.680 7.505 ( 4.840 1.405 -9.713) 10.942 7.505 ( 4.840 1.405 9.713) 10.942 8.272 ( -3.438 3.493 -10.126) 11.250 8.272 ( -3.438 3.493 10.126) 11.250 9.393 ( -2.096 11.950 -1.219) 12.194 9.393 ( -2.096 11.950 1.219) 12.194 10.065 ( 0.781 1.179 -0.687) 1.572 10.065 ( 0.781 1.179 0.687) 1.572 11.048 ( 11.620 -1.070 -6.547) 13.380 11.048 ( 11.620 -1.070 6.547) 13.380 11.567 ( 0.445 0.101 -1.531) 1.597 11.567 ( 0.445 0.101 1.531) 1.597 13.732 ( -0.035 -0.049 -5.266) 5.266 13.732 ( -0.035 -0.049 5.266) 5.266 14.458 ( 0.748 -8.595 -3.775) 9.417 14.458 ( 0.748 -8.595 3.775) 9.417 19.477 ( 0.237 14.879 -3.191) 15.219 19.477 ( 0.237 14.879 3.191) 15.219 20.716 ( -0.627 10.348 -0.570) 10.383 20.716 ( -0.627 10.348 0.570) 10.383 21.791 ( -2.595 -0.781 -9.537) 9.914 21.791 ( -2.595 -0.781 9.537) 9.914 22.672 ( -6.234 -3.085 -13.801) 15.455 22.672 ( -6.234 -3.085 13.801) 15.455 24.096 ( -0.600 -6.654 -3.805) 7.688 24.096 ( -0.600 -6.654 3.805) 7.688 24.273 ( -3.081 -3.417 -8.598) 9.752 24.273 ( -3.081 -3.417 8.598) 9.752 ======================= Grid point 165 (55/64) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 4.363 4.209 -8.540) 10.473 0.931 ( 4.363 4.209 8.540) 10.473 1.106 ( -0.461 20.336 -2.095) 20.448 1.106 ( -0.461 20.336 2.095) 20.448 1.581 ( 6.483 3.303 -4.907) 8.776 1.581 ( 6.483 3.303 4.908) 8.776 1.607 ( 0.926 6.597 -4.641) 8.119 1.607 ( 0.926 6.597 4.641) 8.119 1.802 ( 3.035 8.524 -6.818) 11.329 1.802 ( 3.035 8.524 6.818) 11.329 1.929 ( -4.201 5.226 -4.403) 8.021 1.929 ( -4.201 5.226 4.403) 8.021 2.615 ( 4.028 2.280 -2.161) 5.108 2.615 ( 4.028 2.280 2.161) 5.108 2.770 ( 5.353 5.804 -1.451) 8.028 2.770 ( 5.353 5.804 1.451) 8.028 3.198 ( 10.354 1.761 -19.235) 21.915 3.198 ( 10.354 1.761 19.235) 21.915 3.329 ( 3.138 1.481 -2.963) 4.563 3.329 ( 3.138 1.481 2.963) 4.563 3.441 ( -2.308 1.239 -9.380) 9.739 3.441 ( -2.308 1.239 9.380) 9.739 3.683 ( 2.409 -6.551 -3.377) 7.754 3.683 ( 2.409 -6.551 3.377) 7.754 3.794 ( -2.108 -3.370 -8.426) 9.316 3.794 ( -2.108 -3.370 8.426) 9.316 4.084 ( -4.873 5.602 -12.303) 14.370 4.084 ( -4.873 5.602 12.303) 14.370 4.485 ( -3.078 -2.681 -2.751) 4.922 4.485 ( -3.078 -2.681 2.751) 4.922 5.301 ( -0.044 5.619 -1.640) 5.854 5.301 ( -0.044 5.619 1.640) 5.854 5.420 ( -0.685 -10.568 -0.292) 10.594 5.420 ( -0.685 -10.568 0.292) 10.594 5.797 ( 1.880 1.212 -1.980) 2.987 5.797 ( 1.880 1.212 1.980) 2.987 6.112 ( -0.430 0.526 -2.892) 2.970 6.112 ( -0.430 0.526 2.892) 2.970 6.329 ( -5.064 -4.730 -4.037) 8.020 6.329 ( -5.064 -4.730 4.037) 8.020 6.667 ( 2.739 -4.483 -6.939) 8.703 6.667 ( 2.739 -4.483 6.939) 8.703 7.076 ( -7.831 -5.644 -5.747) 11.234 7.076 ( -7.831 -5.644 5.747) 11.234 7.635 ( 7.610 2.073 -8.928) 11.913 7.635 ( 7.610 2.073 8.928) 11.913 8.179 ( -5.609 2.726 -9.291) 11.190 8.179 ( -5.609 2.726 9.291) 11.190 9.355 ( -1.482 10.036 -0.227) 10.148 9.355 ( -1.482 10.036 0.227) 10.148 10.078 ( 0.550 1.816 -0.298) 1.921 10.078 ( 0.550 1.816 0.298) 1.921 11.290 ( 11.074 -1.767 -9.609) 14.768 11.290 ( 11.074 -1.767 9.609) 14.768 11.572 ( -0.126 -0.389 -2.900) 2.929 11.572 ( -0.126 -0.389 2.900) 2.929 13.731 ( -0.053 0.226 -4.232) 4.238 13.731 ( -0.053 0.226 4.232) 4.238 14.478 ( 1.098 -9.467 -3.473) 10.144 14.478 ( 1.098 -9.467 3.473) 10.144 19.482 ( 0.288 15.019 -2.239) 15.188 19.482 ( 0.288 15.019 2.239) 15.188 20.700 ( -0.851 8.833 -0.746) 8.905 20.700 ( -0.851 8.833 0.746) 8.905 21.719 ( -4.100 0.795 -5.455) 6.870 21.719 ( -4.100 0.795 5.455) 6.870 22.555 ( -4.557 -1.178 -11.026) 11.988 22.555 ( -4.557 -1.178 11.026) 11.988 24.024 ( -5.620 -4.420 -1.650) 7.338 24.024 ( -5.620 -4.420 1.650) 7.338 24.259 ( 1.187 -5.213 -3.548) 6.417 24.259 ( 1.187 -5.213 3.548) 6.417 ======================= Grid point 167 (56/64) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 3.153 13.032 -4.209) 14.053 1.001 ( 3.153 13.032 4.209) 14.053 1.068 ( -2.849 9.448 -1.155) 9.936 1.068 ( -2.849 9.448 1.155) 9.936 1.596 ( -0.174 13.708 -0.823) 13.734 1.596 ( -0.174 13.708 0.823) 13.734 1.718 ( 5.610 0.288 -2.301) 6.070 1.718 ( 5.610 0.288 2.301) 6.070 1.828 ( -4.255 0.884 -2.740) 5.137 1.828 ( -4.255 0.884 2.740) 5.137 1.864 ( 1.126 10.632 -1.298) 10.770 1.864 ( 1.126 10.632 1.298) 10.770 2.653 ( 0.518 7.382 -1.356) 7.524 2.653 ( 0.518 7.382 1.356) 7.524 2.917 ( 6.162 0.417 -0.267) 6.181 2.917 ( 6.162 0.417 0.267) 6.181 3.319 ( 2.513 -1.050 -5.719) 6.335 3.319 ( 2.513 -1.050 5.719) 6.335 3.372 ( -2.688 0.204 -4.685) 5.405 3.372 ( -2.688 0.204 4.685) 5.405 3.496 ( 10.215 2.967 -17.518) 20.495 3.496 ( 10.215 2.967 17.518) 20.495 3.669 ( -5.828 -4.056 -10.775) 12.905 3.669 ( -5.828 -4.056 10.775) 12.905 3.785 ( 3.257 0.490 -1.820) 3.763 3.785 ( 3.257 0.490 1.820) 3.763 3.960 ( -6.549 2.246 -8.857) 11.242 3.960 ( -6.549 2.246 8.857) 11.242 4.432 ( -1.744 -4.106 -0.634) 4.506 4.432 ( -1.744 -4.106 0.634) 4.506 5.316 ( 1.086 10.711 -0.491) 10.777 5.316 ( 1.086 10.711 0.491) 10.777 5.400 ( -1.048 -14.143 -0.249) 14.184 5.400 ( -1.048 -14.143 0.249) 14.184 5.838 ( 1.642 0.509 -0.951) 1.965 5.838 ( 1.642 0.509 0.951) 1.965 6.105 ( -0.191 -2.509 -2.330) 3.430 6.105 ( -0.191 -2.509 2.330) 3.430 6.241 ( -2.944 -0.264 -2.602) 3.938 6.241 ( -2.944 -0.264 2.602) 3.938 6.736 ( 3.443 -4.749 -4.589) 7.447 6.736 ( 3.443 -4.749 4.589) 7.447 6.939 ( -5.081 -4.099 -4.212) 7.769 6.939 ( -5.081 -4.099 4.212) 7.769 7.780 ( 5.691 2.877 -5.947) 8.720 7.780 ( 5.691 2.877 5.947) 8.720 8.065 ( -4.803 1.657 -6.091) 7.931 8.065 ( -4.803 1.657 6.091) 7.931 9.336 ( -0.478 9.181 -0.186) 9.196 9.336 ( -0.478 9.181 0.186) 9.196 10.086 ( 0.191 2.034 -0.091) 2.045 10.086 ( 0.191 2.034 0.091) 2.045 11.463 ( 6.306 -1.379 -8.124) 10.376 11.463 ( 6.306 -1.379 8.124) 10.376 11.550 ( -2.440 -0.941 -5.348) 5.953 11.550 ( -2.440 -0.941 5.348) 5.953 13.730 ( -0.025 0.479 -1.628) 1.697 13.730 ( -0.025 0.479 1.628) 1.697 14.495 ( 0.537 -10.151 -1.383) 10.259 14.495 ( 0.537 -10.151 1.383) 10.259 19.487 ( 0.126 15.129 -0.808) 15.151 19.487 ( 0.126 15.129 0.808) 15.151 20.686 ( -0.405 7.495 -0.366) 7.515 20.686 ( -0.405 7.495 0.366) 7.515 21.653 ( -1.987 2.355 -1.434) 3.398 21.653 ( -1.987 2.355 1.434) 3.398 22.500 ( -1.193 -0.512 -3.993) 4.199 22.500 ( -1.193 -0.512 3.993) 4.199 23.932 ( -2.693 -3.194 -0.413) 4.198 23.932 ( -2.693 -3.194 0.413) 4.198 24.283 ( 0.762 -6.189 -0.972) 6.311 24.283 ( 0.762 -6.189 0.972) 6.311 ======================= Grid point 175 (57/64) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.000 -5.442 -7.874) 9.572 0.591 ( 0.000 -5.442 7.874) 9.572 1.215 ( 0.000 0.785 -3.594) 3.679 1.215 ( 0.000 0.785 3.594) 3.679 1.655 ( 0.000 7.013 -0.710) 7.049 1.655 ( 0.000 7.013 0.710) 7.049 1.740 ( 0.000 0.793 -2.099) 2.244 1.740 ( 0.000 0.793 2.099) 2.244 1.930 ( 0.000 14.599 -3.269) 14.960 1.930 ( 0.000 14.599 3.269) 14.960 2.234 ( 0.000 12.052 -4.469) 12.854 2.234 ( 0.000 12.052 4.469) 12.854 2.502 ( 0.000 5.093 -2.799) 5.811 2.502 ( 0.000 5.093 2.799) 5.811 2.868 ( 0.000 6.617 -8.837) 11.040 2.868 ( 0.000 6.617 8.837) 11.040 3.178 ( 0.000 8.961 -0.335) 8.967 3.178 ( 0.000 8.961 0.335) 8.967 3.287 ( 0.000 -1.904 -2.583) 3.209 3.287 ( 0.000 -1.904 2.583) 3.209 3.417 ( 0.000 -1.014 -0.556) 1.157 3.417 ( 0.000 -1.014 0.556) 1.157 3.557 ( 0.000 5.514 -9.408) 10.905 3.557 ( 0.000 5.514 9.408) 10.905 3.829 ( 0.000 4.485 -5.960) 7.459 3.829 ( 0.000 4.485 5.960) 7.459 4.217 ( 0.000 -1.246 -4.221) 4.401 4.217 ( 0.000 -1.246 4.221) 4.401 4.519 ( 0.000 -1.873 -9.193) 9.382 4.519 ( 0.000 -1.873 9.193) 9.382 5.004 ( 0.000 -21.709 -0.529) 21.715 5.004 ( 0.000 -21.709 0.529) 21.715 5.582 ( 0.000 11.251 -1.391) 11.337 5.582 ( 0.000 11.251 1.391) 11.337 5.771 ( 0.000 -0.187 -1.897) 1.907 5.771 ( 0.000 -0.187 1.897) 1.907 6.100 ( 0.000 -5.242 -5.728) 7.765 6.100 ( 0.000 -5.242 5.728) 7.765 6.282 ( 0.000 -6.262 -0.739) 6.306 6.282 ( 0.000 -6.262 0.739) 6.306 6.551 ( 0.000 -3.112 -3.953) 5.031 6.551 ( 0.000 -3.112 3.953) 5.031 7.134 ( 0.000 -5.462 -2.508) 6.011 7.134 ( 0.000 -5.462 2.508) 6.011 7.476 ( 0.000 1.121 -6.453) 6.550 7.476 ( 0.000 1.121 6.453) 6.550 8.359 ( 0.000 1.362 -6.718) 6.855 8.359 ( 0.000 1.362 6.718) 6.855 9.704 ( 0.000 12.524 -5.530) 13.691 9.704 ( 0.000 12.524 5.530) 13.691 10.061 ( 0.000 -0.221 -0.813) 0.843 10.061 ( 0.000 -0.221 0.813) 0.843 10.908 ( 0.000 -0.429 -2.602) 2.637 10.908 ( 0.000 -0.429 2.602) 2.637 11.569 ( 0.000 0.366 -0.877) 0.950 11.569 ( 0.000 0.366 0.877) 0.950 13.731 ( 0.000 0.150 -4.650) 4.652 13.731 ( 0.000 0.150 4.650) 4.652 14.253 ( 0.000 -9.676 -2.434) 9.978 14.253 ( 0.000 -9.676 2.434) 9.978 19.826 ( 0.000 16.872 -7.379) 18.415 19.826 ( 0.000 16.872 7.379) 18.415 20.999 ( 0.000 14.017 -0.785) 14.039 20.999 ( 0.000 14.017 0.785) 14.039 21.775 ( 0.000 -2.593 -9.650) 9.993 21.775 ( 0.000 -2.593 9.650) 9.993 22.659 ( 0.000 -2.809 -12.690) 12.997 22.659 ( 0.000 -2.809 12.690) 12.997 23.903 ( 0.000 -10.760 -4.929) 11.836 23.903 ( 0.000 -10.760 4.929) 11.836 24.242 ( 0.000 -3.227 -6.158) 6.953 24.242 ( 0.000 -3.227 6.158) 6.953 ======================= Grid point 177 (58/64) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 11.034 -2.431 -8.076) 13.888 0.736 ( 11.034 -2.431 8.076) 13.888 1.288 ( 6.619 0.361 -2.072) 6.945 1.288 ( 6.619 0.361 2.072) 6.945 1.588 ( -4.708 5.385 -0.894) 7.208 1.588 ( -4.708 5.385 0.894) 7.208 1.800 ( 3.285 1.203 -2.872) 4.526 1.800 ( 3.285 1.203 2.872) 4.526 1.951 ( 2.238 14.238 -3.169) 14.757 1.951 ( 2.238 14.238 3.169) 14.757 2.213 ( -1.853 12.573 -5.556) 13.871 2.213 ( -1.853 12.573 5.556) 13.871 2.529 ( 3.417 5.119 -1.977) 6.465 2.529 ( 3.417 5.119 1.977) 6.465 2.925 ( 4.753 8.619 -7.064) 12.116 2.925 ( 4.753 8.619 7.064) 12.116 3.156 ( -0.379 5.442 -3.764) 6.628 3.156 ( -0.379 5.442 3.764) 6.628 3.312 ( 1.771 1.847 -3.859) 4.630 3.312 ( 1.771 1.847 3.859) 4.630 3.446 ( 2.413 -2.025 -3.682) 4.845 3.446 ( 2.413 -2.025 3.682) 4.845 3.562 ( 0.437 3.925 -6.243) 7.387 3.562 ( 0.437 3.925 6.243) 7.387 3.821 ( -0.789 4.120 -8.231) 9.238 3.821 ( -0.789 4.120 8.231) 9.238 4.218 ( -0.467 -0.215 -5.497) 5.520 4.218 ( -0.467 -0.215 5.497) 5.520 4.489 ( -2.837 -2.140 -7.892) 8.655 4.489 ( -2.837 -2.140 7.892) 8.655 4.994 ( -0.932 -21.843 -0.870) 21.880 4.994 ( -0.932 -21.843 0.870) 21.880 5.587 ( 0.460 11.544 -1.394) 11.637 5.587 ( 0.460 11.544 1.394) 11.637 5.777 ( 0.620 -0.279 -1.643) 1.778 5.777 ( 0.620 -0.279 1.643) 1.778 6.091 ( -0.856 -5.119 -5.434) 7.515 6.091 ( -0.856 -5.119 5.434) 7.515 6.261 ( -1.872 -5.922 -0.492) 6.231 6.261 ( -1.872 -5.922 0.492) 6.231 6.557 ( 0.708 -2.943 -4.736) 5.620 6.557 ( 0.708 -2.943 4.736) 5.620 7.085 ( -4.556 -4.840 -3.144) 7.354 7.085 ( -4.556 -4.840 3.144) 7.354 7.535 ( 5.575 1.399 -6.251) 8.492 7.535 ( 5.575 1.399 6.251) 8.492 8.322 ( -3.558 1.432 -6.602) 7.635 8.322 ( -3.558 1.432 6.602) 7.635 9.663 ( -3.191 12.748 -3.255) 13.538 9.663 ( -3.191 12.748 3.255) 13.538 10.080 ( 1.410 -0.166 -0.683) 1.575 10.080 ( 1.410 -0.166 0.683) 1.575 11.020 ( 9.997 -1.512 -4.521) 11.075 11.020 ( 9.997 -1.512 4.521) 11.075 11.569 ( 0.006 0.148 -1.059) 1.069 11.569 ( 0.006 0.148 1.059) 1.069 13.735 ( 0.328 0.406 -4.591) 4.621 13.735 ( 0.328 0.406 4.591) 4.621 14.250 ( -0.279 -10.281 -2.787) 10.656 14.250 ( -0.279 -10.281 2.787) 10.656 19.836 ( 0.964 17.564 -6.961) 18.918 19.836 ( 0.964 17.564 6.961) 18.918 20.960 ( -3.661 11.188 -2.330) 12.000 20.960 ( -3.661 11.188 2.330) 12.000 21.780 ( 0.400 0.229 -9.079) 9.091 21.780 ( 0.400 0.229 9.079) 9.091 22.612 ( -4.110 -1.905 -12.685) 13.470 22.612 ( -4.110 -1.905 12.685) 13.470 23.910 ( 0.373 -10.586 -4.507) 11.511 23.910 ( 0.373 -10.586 4.507) 11.511 24.198 ( -3.741 -3.329 -5.203) 7.221 24.198 ( -3.741 -3.329 5.203) 7.221 ======================= Grid point 179 (59/64) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 7.420 1.584 -8.328) 11.266 0.927 ( 7.420 1.584 8.328) 11.266 1.396 ( -0.199 4.846 -2.469) 5.443 1.396 ( -0.199 4.846 2.469) 5.443 1.532 ( 2.675 -1.717 -0.811) 3.280 1.532 ( 2.675 -1.717 0.811) 3.280 1.822 ( -1.154 -0.573 -2.879) 3.154 1.822 ( -1.154 -0.573 2.879) 3.154 2.016 ( 3.794 14.646 -4.054) 15.663 2.016 ( 3.794 14.646 4.054) 15.663 2.174 ( -1.807 14.761 -5.807) 15.964 2.174 ( -1.807 14.761 5.807) 15.964 2.654 ( 8.499 4.425 -0.547) 9.597 2.654 ( 8.499 4.425 0.547) 9.597 2.991 ( 1.298 12.863 -4.733) 13.768 2.991 ( 1.298 12.863 4.733) 13.768 3.208 ( 4.531 0.030 -7.094) 8.418 3.208 ( 4.531 0.030 7.094) 8.418 3.379 ( 5.271 2.680 -4.802) 7.617 3.379 ( 5.271 2.680 4.802) 7.617 3.476 ( 0.533 1.193 -8.007) 8.113 3.476 ( 0.533 1.193 8.007) 8.113 3.584 ( 2.079 0.356 -5.289) 5.695 3.584 ( 2.079 0.356 5.289) 5.695 3.800 ( -0.992 3.679 -7.888) 8.760 3.800 ( -0.992 3.679 7.888) 8.760 4.167 ( -5.162 1.373 -10.472) 11.756 4.167 ( -5.162 1.373 10.472) 11.756 4.418 ( -4.163 -3.008 -6.003) 7.900 4.418 ( -4.163 -3.008 6.003) 7.900 4.977 ( -0.495 -22.326 -1.284) 22.368 4.977 ( -0.495 -22.326 1.284) 22.368 5.597 ( 0.482 11.978 -0.997) 12.029 5.597 ( 0.482 11.978 0.997) 12.029 5.796 ( 1.324 -0.671 -1.012) 1.796 5.796 ( 1.324 -0.671 1.012) 1.796 6.063 ( -1.982 -4.796 -3.793) 6.428 6.063 ( -1.982 -4.796 3.793) 6.428 6.227 ( -1.104 -4.391 -1.247) 4.696 6.227 ( -1.104 -4.391 1.247) 4.696 6.588 ( 2.563 -2.745 -5.390) 6.569 6.588 ( 2.563 -2.745 5.390) 6.569 6.972 ( -6.365 -3.927 -3.620) 8.309 6.972 ( -6.365 -3.927 3.620) 8.309 7.679 ( 8.398 2.001 -5.871) 10.441 7.679 ( 8.398 2.001 5.871) 10.441 8.223 ( -6.234 1.335 -6.248) 8.926 8.223 ( -6.234 1.335 6.248) 8.926 9.606 ( -2.192 13.090 -0.954) 13.306 9.606 ( -2.192 13.090 0.954) 13.306 10.103 ( 0.790 -0.210 -0.801) 1.144 10.103 ( 0.790 -0.210 0.801) 1.144 11.242 ( 10.955 -2.546 -6.442) 12.961 11.242 ( 10.955 -2.546 6.442) 12.961 11.563 ( -0.849 -0.454 -1.895) 2.126 11.563 ( -0.849 -0.454 1.895) 2.126 13.744 ( 0.517 1.129 -3.805) 4.002 13.744 ( 0.517 1.129 3.805) 4.002 14.243 ( -0.295 -11.827 -2.666) 12.128 14.243 ( -0.295 -11.827 2.666) 12.128 19.860 ( 1.359 19.433 -5.409) 20.217 19.860 ( 1.359 19.433 5.409) 20.217 20.870 ( -4.755 5.225 -3.176) 7.745 20.870 ( -4.755 5.225 3.176) 7.745 21.787 ( 0.191 6.520 -6.781) 9.409 21.787 ( 0.191 6.520 6.781) 9.409 22.527 ( -3.807 -1.404 -10.428) 11.190 22.527 ( -3.807 -1.404 10.428) 11.190 23.897 ( -1.903 -7.554 -3.318) 8.467 23.897 ( -1.903 -7.554 3.318) 8.467 24.131 ( -2.186 -6.105 -3.324) 7.286 24.131 ( -2.186 -6.105 3.324) 7.286 ======================= Grid point 181 (60/64) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 3.211 4.595 -4.312) 7.072 1.034 ( 3.211 4.595 4.312) 7.072 1.324 ( -3.453 4.844 -1.714) 6.191 1.324 ( -3.453 4.844 1.714) 6.191 1.644 ( 5.457 -4.275 -2.460) 7.355 1.644 ( 5.457 -4.275 2.460) 7.355 1.770 ( -3.472 -2.314 -2.558) 4.894 1.770 ( -3.472 -2.314 2.558) 4.894 2.085 ( 2.770 17.941 -3.818) 18.551 2.085 ( 2.770 17.941 3.818) 18.551 2.140 ( -1.673 14.153 -4.380) 14.909 2.140 ( -1.673 14.153 4.380) 14.909 2.804 ( 4.741 6.584 -0.723) 8.145 2.804 ( 4.741 6.584 0.723) 8.145 3.006 ( 0.567 8.760 -1.575) 8.919 3.006 ( 0.567 8.760 1.575) 8.919 3.275 ( 1.996 -1.579 -3.077) 3.993 3.275 ( 1.996 -1.579 3.077) 3.993 3.424 ( -0.912 4.459 -1.414) 4.766 3.424 ( -0.912 4.459 1.414) 4.766 3.527 ( 2.913 0.855 -3.289) 4.476 3.527 ( 2.913 0.855 3.289) 4.476 3.639 ( 2.281 1.546 -4.704) 5.452 3.639 ( 2.281 1.546 4.704) 5.452 3.828 ( 5.534 4.186 -5.704) 8.982 3.828 ( 5.534 4.186 5.704) 8.982 4.021 ( -8.698 2.503 -10.098) 13.561 4.021 ( -8.698 2.503 10.098) 13.561 4.334 ( -3.178 -4.858 -2.599) 6.361 4.334 ( -3.178 -4.858 2.599) 6.361 4.976 ( 0.185 -23.024 -0.677) 23.035 4.976 ( 0.185 -23.024 0.677) 23.035 5.605 ( 0.233 12.359 -0.318) 12.366 5.605 ( 0.233 12.359 0.318) 12.366 5.823 ( 1.017 -1.401 -0.371) 1.771 5.823 ( 1.017 -1.401 0.371) 1.771 6.023 ( -1.523 -4.211 -1.274) 4.655 6.023 ( -1.523 -4.211 1.274) 4.655 6.217 ( -0.132 -2.674 -0.965) 2.846 6.217 ( -0.132 -2.674 0.965) 2.846 6.657 ( 3.615 -2.250 -3.656) 5.612 6.657 ( 3.615 -2.250 3.656) 5.612 6.851 ( -4.950 -3.971 -2.809) 6.940 6.851 ( -4.950 -3.971 2.809) 6.940 7.846 ( 7.199 3.125 -4.573) 9.084 7.846 ( 7.199 3.125 4.573) 9.084 8.088 ( -6.319 0.438 -4.740) 7.911 8.088 ( -6.319 0.438 4.740) 7.911 9.578 ( -0.680 13.255 -0.160) 13.273 9.578 ( -0.680 13.255 0.160) 13.273 10.113 ( 0.229 -0.303 -0.319) 0.496 10.113 ( 0.229 -0.303 0.319) 0.496 11.425 ( 7.076 -2.142 -5.644) 9.301 11.425 ( 7.076 -2.142 5.644) 9.301 11.525 ( -3.217 -1.275 -3.614) 5.003 11.525 ( -3.217 -1.275 3.614) 5.003 13.752 ( 0.271 1.883 -1.541) 2.448 13.752 ( 0.271 1.883 1.541) 2.448 14.239 ( -0.113 -13.269 -1.131) 13.318 14.239 ( -0.113 -13.269 1.131) 13.318 19.882 ( 0.680 21.369 -2.153) 21.488 19.882 ( 0.680 21.369 2.153) 21.488 20.795 ( -2.195 0.591 -1.572) 2.764 20.795 ( -2.195 0.591 1.572) 2.764 21.788 ( -0.019 11.522 -2.515) 11.794 21.788 ( -0.019 11.522 2.515) 11.794 22.475 ( -1.289 -2.268 -4.091) 4.852 22.475 ( -1.289 -2.268 4.091) 4.852 23.855 ( -1.555 -3.746 -1.180) 4.224 23.855 ( -1.555 -3.746 1.180) 4.224 24.111 ( -0.225 -9.626 -1.062) 9.687 24.111 ( -0.225 -9.626 1.062) 9.687 ======================= Grid point 189 (61/64) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 0.000 -2.089 -3.014) 3.667 0.509 ( 0.000 -2.089 3.014) 3.667 1.228 ( 0.000 0.419 -1.979) 2.023 1.228 ( 0.000 0.419 1.980) 2.023 1.711 ( 0.000 1.196 -3.289) 3.500 1.711 ( 0.000 1.196 3.289) 3.500 1.739 ( 0.000 -1.049 -2.853) 3.039 1.739 ( 0.000 -1.049 2.853) 3.039 2.155 ( 0.000 8.079 -1.772) 8.271 2.155 ( 0.000 8.079 1.772) 8.271 2.278 ( 0.000 -3.634 -4.876) 6.081 2.278 ( 0.000 -3.634 4.876) 6.081 2.721 ( 0.000 7.435 -2.754) 7.928 2.721 ( 0.000 7.435 2.754) 7.928 2.956 ( 0.000 2.386 -3.062) 3.882 2.956 ( 0.000 2.386 3.062) 3.882 3.197 ( 0.000 -2.801 -2.003) 3.444 3.197 ( 0.000 -2.801 2.003) 3.444 3.281 ( 0.000 1.219 -0.267) 1.248 3.281 ( 0.000 1.219 0.267) 1.248 3.552 ( 0.000 4.460 -1.268) 4.637 3.552 ( 0.000 4.460 1.268) 4.637 3.739 ( 0.000 15.299 -10.719) 18.680 3.739 ( 0.000 15.299 10.719) 18.680 4.031 ( 0.000 3.499 -0.182) 3.503 4.031 ( 0.000 3.499 0.182) 3.503 4.094 ( 0.000 1.064 -5.343) 5.448 4.094 ( 0.000 1.064 5.343) 5.448 4.504 ( 0.000 -6.051 -3.748) 7.118 4.504 ( 0.000 -6.051 3.748) 7.118 4.534 ( 0.000 -16.921 -0.543) 16.929 4.534 ( 0.000 -16.921 0.543) 16.929 5.731 ( 0.000 1.368 -0.278) 1.396 5.731 ( 0.000 1.368 0.278) 1.396 5.817 ( 0.000 6.133 -1.223) 6.254 5.817 ( 0.000 6.133 1.223) 6.254 5.962 ( 0.000 -6.468 -3.733) 7.469 5.962 ( 0.000 -6.468 3.733) 7.469 6.211 ( 0.000 -1.440 -0.362) 1.485 6.211 ( 0.000 -1.440 0.362) 1.485 6.502 ( 0.000 -1.490 -1.226) 1.930 6.502 ( 0.000 -1.490 1.226) 1.930 7.063 ( 0.000 -1.628 -0.871) 1.846 7.063 ( 0.000 -1.628 0.871) 1.846 7.495 ( 0.000 0.553 -2.111) 2.183 7.495 ( 0.000 0.553 2.111) 2.183 8.374 ( 0.000 0.302 -2.277) 2.297 8.374 ( 0.000 0.302 2.277) 2.297 9.908 ( 0.000 6.826 -3.338) 7.599 9.908 ( 0.000 6.826 3.338) 7.599 10.035 ( 0.000 -2.273 -0.508) 2.329 10.035 ( 0.000 -2.273 0.508) 2.329 10.899 ( 0.000 -0.330 -1.151) 1.197 10.899 ( 0.000 -0.330 1.151) 1.197 11.575 ( 0.000 0.167 -0.320) 0.360 11.575 ( 0.000 0.167 0.320) 0.360 13.739 ( 0.000 0.414 -2.234) 2.272 13.739 ( 0.000 0.414 2.234) 2.272 14.096 ( 0.000 -4.454 -1.326) 4.647 14.096 ( 0.000 -4.454 1.326) 4.647 20.091 ( 0.000 7.289 -4.004) 8.316 20.091 ( 0.000 7.289 4.004) 8.316 21.225 ( 0.000 6.248 -0.882) 6.310 21.225 ( 0.000 6.248 0.882) 6.310 21.725 ( 0.000 -1.671 -4.480) 4.781 21.725 ( 0.000 -1.671 4.480) 4.781 22.646 ( 0.000 0.810 -6.200) 6.253 22.646 ( 0.000 0.810 6.200) 6.253 23.702 ( 0.000 -6.564 -2.828) 7.148 23.702 ( 0.000 -6.564 2.828) 7.148 24.196 ( 0.000 -1.122 -1.933) 2.235 24.196 ( 0.000 -1.122 1.933) 2.235 ======================= Grid point 191 (62/64) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 15.358 -0.089 -2.285) 15.527 0.715 ( 15.358 -0.089 2.285) 15.527 1.282 ( 5.123 -0.347 -1.536) 5.360 1.282 ( 5.123 -0.347 1.536) 5.360 1.666 ( -4.022 3.215 -2.370) 5.669 1.666 ( -4.022 3.215 2.370) 5.669 1.763 ( 1.170 -3.281 -2.347) 4.200 1.763 ( 1.170 -3.281 2.347) 4.200 2.168 ( 1.546 7.664 -1.235) 7.915 2.168 ( 1.546 7.664 1.235) 7.915 2.282 ( 0.739 -2.857 -3.861) 4.860 2.282 ( 0.739 -2.857 3.861) 4.860 2.722 ( 0.918 6.308 -2.009) 6.683 2.722 ( 0.918 6.308 2.009) 6.683 3.041 ( 7.968 3.589 -3.828) 9.541 3.041 ( 7.968 3.589 3.828) 9.541 3.182 ( -0.663 -1.641 -1.353) 2.228 3.182 ( -0.663 -1.641 1.353) 2.228 3.334 ( 4.202 0.480 -1.501) 4.488 3.334 ( 4.202 0.480 1.501) 4.488 3.544 ( -0.854 3.935 -1.674) 4.361 3.544 ( -0.854 3.935 1.674) 4.361 3.730 ( -0.546 15.358 -10.302) 18.502 3.730 ( -0.546 15.358 10.302) 18.502 3.978 ( -3.140 3.161 -6.375) 7.778 3.978 ( -3.140 3.161 6.375) 7.778 4.140 ( 2.034 0.487 -7.946) 8.217 4.140 ( 2.034 0.487 7.946) 8.217 4.466 ( -4.190 -5.135 -3.557) 7.522 4.466 ( -4.190 -5.135 3.557) 7.522 4.529 ( 0.017 -17.232 -2.861) 17.467 4.529 ( 0.017 -17.232 2.861) 17.467 5.741 ( 0.869 1.290 -0.485) 1.629 5.741 ( 0.869 1.290 0.485) 1.629 5.814 ( -0.443 5.231 -1.608) 5.490 5.814 ( -0.443 5.231 1.608) 5.490 5.968 ( 0.868 -5.011 -3.607) 6.235 5.968 ( 0.868 -5.011 3.607) 6.235 6.186 ( -2.235 -1.842 -0.374) 2.921 6.186 ( -2.235 -1.842 0.374) 2.921 6.512 ( 1.090 -1.305 -1.542) 2.295 6.512 ( 1.090 -1.305 1.542) 2.295 7.022 ( -3.950 -1.468 -1.063) 4.346 7.022 ( -3.950 -1.468 1.063) 4.346 7.557 ( 5.876 0.613 -2.080) 6.264 7.557 ( 5.876 0.613 2.080) 6.264 8.339 ( -3.497 0.325 -2.259) 4.176 8.339 ( -3.497 0.325 2.259) 4.176 9.888 ( -1.564 8.458 -2.357) 8.918 9.888 ( -1.564 8.458 2.357) 8.918 10.042 ( 0.401 -3.631 -1.374) 3.903 10.042 ( 0.401 -3.631 1.374) 3.903 10.994 ( 8.722 -0.770 -1.703) 8.920 10.994 ( 8.722 -0.770 1.703) 8.920 11.572 ( -0.338 0.071 -0.384) 0.516 11.572 ( -0.338 0.071 0.384) 0.516 13.749 ( 0.989 0.697 -2.300) 2.599 13.749 ( 0.989 0.697 2.300) 2.599 14.081 ( -1.454 -4.878 -1.563) 5.324 14.081 ( -1.454 -4.878 1.563) 5.324 20.118 ( 2.665 7.945 -3.997) 9.284 20.118 ( 2.665 7.945 3.997) 9.284 21.110 ( -9.847 3.073 -2.142) 10.535 21.110 ( -9.847 3.073 2.142) 10.535 21.806 ( 6.705 1.517 -4.490) 8.211 21.806 ( 6.705 1.517 4.490) 8.211 22.606 ( -3.905 0.728 -6.369) 7.506 22.606 ( -3.905 0.728 6.369) 7.506 23.714 ( 1.165 -6.399 -2.676) 7.033 23.714 ( 1.165 -6.399 2.676) 7.033 24.149 ( -4.373 -1.228 -1.719) 4.856 24.149 ( -4.373 -1.228 1.719) 4.856 ======================= Grid point 193 (63/64) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 11.031 2.649 -2.664) 11.653 0.986 ( 11.031 2.649 2.664) 11.653 1.401 ( 5.214 -1.579 -0.916) 5.525 1.401 ( 5.214 -1.579 0.916) 5.525 1.563 ( -5.242 3.085 -1.631) 6.297 1.563 ( -5.242 3.085 1.631) 6.297 1.756 ( -2.100 -3.898 -1.251) 4.601 1.756 ( -2.100 -3.898 1.251) 4.601 2.218 ( 3.145 6.286 -1.603) 7.210 2.218 ( 3.145 6.286 1.603) 7.210 2.313 ( 1.939 -0.376 -1.957) 2.781 2.313 ( 1.939 -0.376 1.957) 2.781 2.786 ( 5.746 4.367 -0.627) 7.245 2.786 ( 5.746 4.367 0.627) 7.245 3.132 ( -1.228 1.114 -2.770) 3.228 3.132 ( -1.228 1.114 2.770) 3.228 3.283 ( 11.362 3.740 -2.625) 12.246 3.283 ( 11.362 3.740 2.625) 12.246 3.421 ( 4.612 1.436 -1.311) 5.005 3.421 ( 4.612 1.436 1.311) 5.005 3.519 ( -1.348 1.942 -2.122) 3.177 3.519 ( -1.348 1.942 2.122) 3.177 3.731 ( 0.712 14.491 -8.521) 16.826 3.731 ( 0.712 14.491 8.521) 16.826 3.932 ( -1.076 4.311 -6.152) 7.588 3.932 ( -1.076 4.311 6.152) 7.588 4.130 ( -3.575 -0.092 -7.863) 8.638 4.130 ( -3.575 -0.092 7.863) 8.638 4.361 ( -5.548 -7.236 -3.148) 9.647 4.361 ( -5.548 -7.236 3.148) 9.647 4.519 ( -1.410 -16.062 -3.723) 16.548 4.519 ( -1.410 -16.062 3.723) 16.548 5.760 ( 0.858 1.630 -0.638) 1.949 5.760 ( 0.858 1.630 0.638) 1.949 5.802 ( -0.539 2.278 -1.232) 2.645 5.802 ( -0.539 2.278 1.232) 2.645 5.995 ( 1.304 -0.436 -2.102) 2.512 5.995 ( 1.304 -0.436 2.102) 2.512 6.141 ( -1.704 -3.562 -0.694) 4.009 6.141 ( -1.704 -3.562 0.694) 4.009 6.552 ( 3.155 -0.842 -1.877) 3.767 6.552 ( 3.155 -0.842 1.877) 3.767 6.918 ( -6.151 -1.289 -1.240) 6.406 6.918 ( -6.151 -1.289 1.240) 6.406 7.710 ( 8.933 0.806 -2.018) 9.193 7.710 ( 8.933 0.806 2.018) 9.193 8.238 ( -6.463 0.305 -2.194) 6.832 8.238 ( -6.463 0.305 2.194) 6.832 9.861 ( -1.052 10.724 -1.108) 10.832 9.861 ( -1.052 10.724 1.108) 10.832 10.046 ( 0.051 -5.460 -1.245) 5.601 10.046 ( 0.051 -5.460 1.245) 5.601 11.199 ( 10.709 -1.265 -2.292) 11.024 11.199 ( 10.709 -1.265 2.292) 11.024 11.556 ( -1.473 -0.207 -0.674) 1.633 11.556 ( -1.473 -0.207 0.674) 1.633 13.778 ( 1.958 1.838 -2.298) 3.535 13.778 ( 1.958 1.838 2.298) 3.535 14.041 ( -2.443 -6.370 -1.866) 7.073 14.041 ( -2.443 -6.370 1.866) 7.073 20.195 ( 4.970 10.441 -3.830) 12.181 20.195 ( 4.970 10.441 3.830) 12.181 20.888 ( -11.529 -1.843 -2.986) 12.051 20.888 ( -11.529 -1.843 2.986) 12.051 21.950 ( 7.297 6.425 -4.570) 10.743 21.950 ( 7.297 6.425 4.570) 10.743 22.502 ( -6.130 -0.832 -6.241) 8.787 22.502 ( -6.130 -0.832 6.241) 8.787 23.748 ( 2.262 -5.085 -2.348) 6.041 23.748 ( 2.262 -5.085 2.348) 6.041 24.041 ( -5.921 -2.244 -1.479) 6.502 24.041 ( -5.921 -2.244 1.479) 6.502 ======================= Grid point 195 (64/64) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 7.109 5.758 -1.878) 9.339 1.165 ( 7.109 5.758 1.878) 9.339 1.367 ( -6.260 0.220 -1.303) 6.398 1.367 ( -6.260 0.220 1.303) 6.398 1.579 ( 4.935 -1.516 -0.890) 5.239 1.579 ( 4.935 -1.516 0.890) 5.239 1.690 ( -4.032 -3.832 -0.931) 5.640 1.690 ( -4.032 -3.832 0.931) 5.640 2.277 ( 2.273 5.155 -1.264) 5.774 2.277 ( 2.273 5.155 1.264) 5.774 2.333 ( -0.050 1.915 -1.128) 2.223 2.333 ( -0.050 1.915 1.128) 2.223 2.923 ( 6.350 3.926 -0.361) 7.474 2.923 ( 6.350 3.926 0.361) 7.474 3.081 ( -3.360 -1.797 -0.642) 3.864 3.081 ( -3.360 -1.797 0.642) 3.864 3.414 ( 1.516 8.518 -0.830) 8.692 3.414 ( 1.516 8.518 0.830) 8.692 3.489 ( 0.058 0.873 -2.607) 2.750 3.489 ( 0.058 0.873 2.607) 2.750 3.592 ( 8.839 5.267 -3.893) 11.001 3.592 ( 8.839 5.267 3.893) 11.001 3.740 ( -0.491 9.500 -6.034) 11.265 3.740 ( -0.491 9.500 6.034) 11.265 3.950 ( 2.436 4.994 -3.387) 6.507 3.950 ( 2.436 4.994 3.387) 6.507 4.017 ( -5.715 -1.288 -2.733) 6.464 4.017 ( -5.715 -1.288 2.733) 6.464 4.258 ( -4.300 -2.069 -1.636) 5.044 4.258 ( -4.300 -2.069 1.636) 5.044 4.485 ( -1.267 -21.480 -1.866) 21.598 4.485 ( -1.267 -21.480 1.866) 21.598 5.772 ( 0.307 2.833 -0.306) 2.866 5.772 ( 0.307 2.833 0.306) 2.866 5.799 ( 0.119 -0.604 -0.461) 0.769 5.799 ( 0.119 -0.604 0.461) 0.769 6.005 ( -0.074 3.665 -0.557) 3.708 6.005 ( -0.074 3.665 0.557) 3.708 6.126 ( -0.084 -5.692 -0.764) 5.744 6.126 ( -0.084 -5.692 0.764) 5.744 6.641 ( 5.456 0.170 -1.597) 5.688 6.641 ( 5.456 0.170 1.597) 5.688 6.787 ( -6.508 -1.851 -1.277) 6.885 6.787 ( -6.508 -1.851 1.277) 6.885 7.896 ( 9.208 1.407 -1.943) 9.515 7.896 ( 9.208 1.407 1.943) 9.515 8.088 ( -8.231 -0.184 -2.021) 8.478 8.088 ( -8.231 -0.184 2.021) 8.478 9.847 ( -0.311 11.968 -0.311) 11.976 9.847 ( -0.311 11.968 0.311) 11.976 10.046 ( -0.036 -6.485 -0.469) 6.502 10.046 ( -0.036 -6.485 0.469) 6.502 11.388 ( 7.768 -1.104 -2.031) 8.105 11.388 ( 7.768 -1.104 2.031) 8.105 11.504 ( -4.003 -0.634 -1.294) 4.254 11.504 ( -4.003 -0.634 1.294) 4.254 13.818 ( 1.522 4.473 -1.334) 4.910 13.818 ( 1.522 4.473 1.334) 4.910 13.995 ( -1.698 -9.320 -1.194) 9.548 13.995 ( -1.698 -9.320 1.194) 9.548 20.299 ( 4.309 16.773 -2.381) 17.481 20.299 ( 4.309 16.773 2.381) 17.481 20.690 ( -6.843 -9.169 -2.159) 11.643 20.690 ( -6.843 -9.169 2.159) 11.643 22.077 ( 4.544 13.304 -3.096) 14.396 22.077 ( 4.544 13.304 3.096) 14.396 22.386 ( -4.387 -6.314 -3.778) 8.566 22.386 ( -4.387 -6.314 3.778) 8.566 23.800 ( 2.558 -1.116 -1.582) 3.208 23.800 ( 2.558 -1.116 1.582) 3.208 23.935 ( -4.071 -5.829 -1.220) 7.214 23.935 ( -4.071 -5.829 1.220) 7.214 =================== 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 3/21168 10.0 17.821 13.812 6.423 0.000 0.000 0.000 3/21168 20.0 7.207 12.225 3.040 0.000 0.000 0.000 3/21168 30.0 4.254 9.006 2.091 0.000 0.000 0.000 3/21168 40.0 3.019 7.108 1.684 0.000 0.000 0.000 3/21168 50.0 2.361 5.935 1.448 0.000 0.000 -0.000 3/21168 60.0 1.953 5.128 1.281 0.000 0.000 -0.000 3/21168 70.0 1.677 4.527 1.152 0.000 0.000 -0.000 3/21168 80.0 1.476 4.057 1.047 0.000 0.000 -0.000 3/21168 90.0 1.324 3.677 0.959 0.000 0.000 -0.000 3/21168 100.0 1.203 3.362 0.885 0.000 0.000 -0.000 3/21168 110.0 1.105 3.099 0.822 0.000 0.000 -0.000 3/21168 120.0 1.023 2.874 0.768 0.000 0.000 -0.000 3/21168 130.0 0.954 2.682 0.721 0.000 0.000 -0.000 3/21168 140.0 0.895 2.515 0.680 0.000 0.000 -0.000 3/21168 150.0 0.843 2.370 0.644 0.000 0.000 -0.000 3/21168 160.0 0.798 2.241 0.612 0.000 0.000 -0.000 3/21168 170.0 0.757 2.127 0.583 0.000 0.000 -0.000 3/21168 180.0 0.721 2.026 0.558 0.000 0.000 -0.000 3/21168 190.0 0.689 1.934 0.535 0.000 0.000 -0.000 3/21168 200.0 0.660 1.852 0.514 0.000 0.000 -0.000 3/21168 210.0 0.633 1.776 0.495 0.000 0.000 -0.000 3/21168 220.0 0.608 1.708 0.478 0.000 0.000 -0.000 3/21168 230.0 0.586 1.644 0.462 0.000 0.000 -0.000 3/21168 240.0 0.565 1.586 0.447 0.000 0.000 -0.000 3/21168 250.0 0.546 1.532 0.434 0.000 0.000 -0.000 3/21168 260.0 0.528 1.482 0.421 0.000 0.000 -0.000 3/21168 270.0 0.511 1.435 0.409 0.000 0.000 -0.000 3/21168 280.0 0.495 1.391 0.398 0.000 0.000 -0.000 3/21168 290.0 0.481 1.350 0.387 0.000 0.000 -0.000 3/21168 300.0 0.467 1.311 0.377 0.000 0.000 -0.000 3/21168 310.0 0.454 1.275 0.368 0.000 0.000 -0.000 3/21168 320.0 0.441 1.240 0.359 0.000 0.000 -0.000 3/21168 330.0 0.430 1.207 0.350 0.000 0.000 -0.000 3/21168 340.0 0.419 1.176 0.342 0.000 0.000 -0.000 3/21168 350.0 0.408 1.147 0.334 0.000 0.000 -0.000 3/21168 360.0 0.398 1.119 0.327 0.000 0.000 -0.000 3/21168 370.0 0.388 1.092 0.320 0.000 0.000 -0.000 3/21168 380.0 0.379 1.067 0.313 0.000 0.000 -0.000 3/21168 390.0 0.371 1.043 0.306 0.000 0.000 -0.000 3/21168 400.0 0.362 1.020 0.300 0.000 0.000 -0.000 3/21168 410.0 0.354 0.997 0.294 0.000 0.000 -0.000 3/21168 420.0 0.347 0.976 0.288 0.000 0.000 -0.000 3/21168 430.0 0.340 0.956 0.283 0.000 0.000 -0.000 3/21168 440.0 0.333 0.936 0.278 0.000 0.000 -0.000 3/21168 450.0 0.326 0.917 0.272 0.000 0.000 -0.000 3/21168 460.0 0.319 0.899 0.267 0.000 0.000 -0.000 3/21168 470.0 0.313 0.882 0.263 0.000 0.000 -0.000 3/21168 480.0 0.307 0.865 0.258 0.000 0.000 -0.000 3/21168 490.0 0.301 0.849 0.253 0.000 0.000 -0.000 3/21168 500.0 0.296 0.833 0.249 0.000 0.000 -0.000 3/21168 510.0 0.291 0.818 0.245 0.000 0.000 -0.000 3/21168 520.0 0.285 0.804 0.241 0.000 0.000 -0.000 3/21168 530.0 0.280 0.790 0.237 0.000 0.000 -0.000 3/21168 540.0 0.276 0.776 0.233 0.000 0.000 -0.000 3/21168 550.0 0.271 0.763 0.229 0.000 0.000 -0.000 3/21168 560.0 0.266 0.751 0.226 0.000 0.000 -0.000 3/21168 570.0 0.262 0.738 0.222 0.000 0.000 -0.000 3/21168 580.0 0.258 0.727 0.219 0.000 0.000 -0.000 3/21168 590.0 0.254 0.715 0.216 0.000 0.000 -0.000 3/21168 600.0 0.250 0.704 0.212 0.000 0.000 -0.000 3/21168 610.0 0.246 0.693 0.209 0.000 0.000 -0.000 3/21168 620.0 0.242 0.683 0.206 0.000 0.000 -0.000 3/21168 630.0 0.239 0.672 0.203 0.000 0.000 -0.000 3/21168 640.0 0.235 0.663 0.200 0.000 0.000 -0.000 3/21168 650.0 0.232 0.653 0.198 0.000 0.000 -0.000 3/21168 660.0 0.228 0.644 0.195 0.000 0.000 -0.000 3/21168 670.0 0.225 0.634 0.192 0.000 0.000 -0.000 3/21168 680.0 0.222 0.626 0.190 0.000 0.000 -0.000 3/21168 690.0 0.219 0.617 0.187 0.000 0.000 -0.000 3/21168 700.0 0.216 0.609 0.185 0.000 0.000 -0.000 3/21168 710.0 0.213 0.601 0.182 0.000 0.000 -0.000 3/21168 720.0 0.210 0.593 0.180 0.000 0.000 -0.000 3/21168 730.0 0.207 0.585 0.178 0.000 0.000 -0.000 3/21168 740.0 0.205 0.577 0.176 0.000 0.000 -0.000 3/21168 750.0 0.202 0.570 0.173 0.000 0.000 -0.000 3/21168 760.0 0.200 0.563 0.171 0.000 0.000 -0.000 3/21168 770.0 0.197 0.556 0.169 0.000 0.000 -0.000 3/21168 780.0 0.195 0.549 0.167 0.000 0.000 -0.000 3/21168 790.0 0.192 0.542 0.165 0.000 0.000 -0.000 3/21168 800.0 0.190 0.536 0.163 0.000 0.000 -0.000 3/21168 810.0 0.188 0.529 0.161 0.000 0.000 -0.000 3/21168 820.0 0.185 0.523 0.160 0.000 0.000 -0.000 3/21168 830.0 0.183 0.517 0.158 0.000 0.000 -0.000 3/21168 840.0 0.181 0.511 0.156 0.000 0.000 -0.000 3/21168 850.0 0.179 0.505 0.154 0.000 0.000 -0.000 3/21168 860.0 0.177 0.500 0.153 0.000 0.000 -0.000 3/21168 870.0 0.175 0.494 0.151 0.000 0.000 -0.000 3/21168 880.0 0.173 0.489 0.149 0.000 0.000 -0.000 3/21168 890.0 0.171 0.484 0.148 0.000 0.000 -0.000 3/21168 900.0 0.170 0.478 0.146 0.000 0.000 -0.000 3/21168 910.0 0.168 0.473 0.145 0.000 0.000 -0.000 3/21168 920.0 0.166 0.468 0.143 0.000 0.000 -0.000 3/21168 930.0 0.164 0.463 0.142 0.000 0.000 -0.000 3/21168 940.0 0.163 0.459 0.140 0.000 0.000 -0.000 3/21168 950.0 0.161 0.454 0.139 0.000 0.000 -0.000 3/21168 960.0 0.159 0.449 0.138 0.000 0.000 -0.000 3/21168 970.0 0.158 0.445 0.136 0.000 0.000 -0.000 3/21168 980.0 0.156 0.440 0.135 0.000 0.000 -0.000 3/21168 990.0 0.155 0.436 0.134 0.000 0.000 -0.000 3/21168 1000.0 0.153 0.432 0.132 0.000 0.000 -0.000 3/21168 Thermal conductivity related properties were written into "kappa-m776.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:16:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|