----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:17:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.194271530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.296275380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.174123730000000 Atomic positions (fractional): *1 Zr 0.54217568908044 0.84219634977089 0.13854122985003 91.224 2 Zr 0.95782431091956 0.34219634977089 0.13854122985003 91.224 3 Zr 0.45782431091956 0.34219634977089 0.36145877014998 91.224 4 Zr 0.04217568908044 0.84219634977089 0.36145877014998 91.224 5 Zr 0.95782431091956 0.15780365022911 0.63854122985002 91.224 6 Zr 0.54217568908044 0.65780365022911 0.63854122985002 91.224 7 Zr 0.45782431091956 0.15780365022911 0.86145877014998 91.224 8 Zr 0.04217568908044 0.65780365022911 0.86145877014998 91.224 *9 O 0.83110738688898 0.66712202029840 0.03278873305448 15.999 10 O 0.66889261311102 0.16712202029840 0.03278873305448 15.999 *11 O 0.24836941838552 0.08911054587124 0.22442638267878 15.999 12 O 0.25163058161448 0.58911054587124 0.22442638267878 15.999 13 O 0.74836941838552 0.08911054587124 0.27557361732122 15.999 14 O 0.75163058161448 0.58911054587124 0.27557361732122 15.999 15 O 0.16889261311102 0.16712202029840 0.46721126694552 15.999 16 O 0.33110738688898 0.66712202029840 0.46721126694552 15.999 17 O 0.66889261311102 0.33287797970160 0.53278873305448 15.999 18 O 0.83110738688898 0.83287797970160 0.53278873305448 15.999 19 O 0.24836941838552 0.41088945412876 0.72442638267878 15.999 20 O 0.25163058161448 0.91088945412876 0.72442638267878 15.999 21 O 0.74836941838552 0.41088945412876 0.77557361732122 15.999 22 O 0.75163058161448 0.91088945412876 0.77557361732122 15.999 23 O 0.16889261311102 0.33287797970160 0.96721126694552 15.999 24 O 0.33110738688898 0.83287797970160 0.96721126694552 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.194271530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.296275380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.174123730000000 Atomic positions (fractional): *1 Zr 0.54217568908044 0.84219634977089 0.13854122985003 91.224 > 1 2 Zr 0.95782431091956 0.34219634977089 0.13854122985003 91.224 > 2 3 Zr 0.45782431091956 0.34219634977089 0.36145877014998 91.224 > 3 4 Zr 0.04217568908044 0.84219634977089 0.36145877014998 91.224 > 4 5 Zr 0.95782431091956 0.15780365022911 0.63854122985002 91.224 > 5 6 Zr 0.54217568908044 0.65780365022911 0.63854122985002 91.224 > 6 7 Zr 0.45782431091956 0.15780365022911 0.86145877014998 91.224 > 7 8 Zr 0.04217568908044 0.65780365022911 0.86145877014998 91.224 > 8 *9 O 0.83110738688898 0.66712202029840 0.03278873305448 15.999 > 9 10 O 0.66889261311102 0.16712202029840 0.03278873305448 15.999 > 10 *11 O 0.24836941838552 0.08911054587124 0.22442638267878 15.999 > 11 12 O 0.25163058161448 0.58911054587124 0.22442638267878 15.999 > 12 13 O 0.74836941838552 0.08911054587124 0.27557361732122 15.999 > 13 14 O 0.75163058161448 0.58911054587124 0.27557361732122 15.999 > 14 15 O 0.16889261311102 0.16712202029840 0.46721126694552 15.999 > 15 16 O 0.33110738688898 0.66712202029840 0.46721126694552 15.999 > 16 17 O 0.66889261311102 0.33287797970160 0.53278873305448 15.999 > 17 18 O 0.83110738688898 0.83287797970160 0.53278873305448 15.999 > 18 19 O 0.24836941838552 0.41088945412876 0.72442638267878 15.999 > 19 20 O 0.25163058161448 0.91088945412876 0.72442638267878 15.999 > 20 21 O 0.74836941838552 0.41088945412876 0.77557361732122 15.999 > 21 22 O 0.75163058161448 0.91088945412876 0.77557361732122 15.999 > 22 23 O 0.16889261311102 0.33287797970160 0.96721126694552 15.999 > 23 24 O 0.33110738688898 0.83287797970160 0.96721126694552 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.388543060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.592550760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.174123730000000 Atomic positions (fractional): *1 Zr 0.27108784454022 0.42109817488545 0.13854122985003 91.224 > 1 2 Zr 0.77108784454022 0.42109817488545 0.13854122985003 91.224 > 1 3 Zr 0.27108784454022 0.92109817488545 0.13854122985003 91.224 > 1 4 Zr 0.77108784454022 0.92109817488545 0.13854122985003 91.224 > 1 5 Zr 0.47891215545978 0.17109817488545 0.13854122985003 91.224 > 2 6 Zr 0.97891215545978 0.17109817488545 0.13854122985003 91.224 > 2 7 Zr 0.47891215545978 0.67109817488545 0.13854122985003 91.224 > 2 8 Zr 0.97891215545978 0.67109817488545 0.13854122985003 91.224 > 2 9 Zr 0.22891215545978 0.17109817488545 0.36145877014998 91.224 > 3 10 Zr 0.72891215545978 0.17109817488545 0.36145877014998 91.224 > 3 11 Zr 0.22891215545978 0.67109817488545 0.36145877014998 91.224 > 3 12 Zr 0.72891215545978 0.67109817488545 0.36145877014998 91.224 > 3 13 Zr 0.02108784454022 0.42109817488545 0.36145877014998 91.224 > 4 14 Zr 0.52108784454022 0.42109817488545 0.36145877014998 91.224 > 4 15 Zr 0.02108784454022 0.92109817488545 0.36145877014998 91.224 > 4 16 Zr 0.52108784454022 0.92109817488545 0.36145877014998 91.224 > 4 17 Zr 0.47891215545978 0.07890182511455 0.63854122985002 91.224 > 5 18 Zr 0.97891215545978 0.07890182511455 0.63854122985002 91.224 > 5 19 Zr 0.47891215545978 0.57890182511455 0.63854122985002 91.224 > 5 20 Zr 0.97891215545978 0.57890182511455 0.63854122985002 91.224 > 5 21 Zr 0.27108784454022 0.32890182511455 0.63854122985002 91.224 > 6 22 Zr 0.77108784454022 0.32890182511455 0.63854122985002 91.224 > 6 23 Zr 0.27108784454022 0.82890182511455 0.63854122985002 91.224 > 6 24 Zr 0.77108784454022 0.82890182511455 0.63854122985002 91.224 > 6 25 Zr 0.22891215545978 0.07890182511455 0.86145877014998 91.224 > 7 26 Zr 0.72891215545978 0.07890182511455 0.86145877014998 91.224 > 7 27 Zr 0.22891215545978 0.57890182511455 0.86145877014998 91.224 > 7 28 Zr 0.72891215545978 0.57890182511455 0.86145877014998 91.224 > 7 29 Zr 0.02108784454022 0.32890182511455 0.86145877014998 91.224 > 8 30 Zr 0.52108784454022 0.32890182511455 0.86145877014998 91.224 > 8 31 Zr 0.02108784454022 0.82890182511455 0.86145877014998 91.224 > 8 32 Zr 0.52108784454022 0.82890182511455 0.86145877014998 91.224 > 8 *33 O 0.41555369344449 0.33356101014920 0.03278873305448 15.999 > 9 34 O 0.91555369344449 0.33356101014920 0.03278873305448 15.999 > 9 35 O 0.41555369344449 0.83356101014920 0.03278873305448 15.999 > 9 36 O 0.91555369344449 0.83356101014920 0.03278873305448 15.999 > 9 37 O 0.33444630655551 0.08356101014920 0.03278873305448 15.999 > 10 38 O 0.83444630655551 0.08356101014920 0.03278873305448 15.999 > 10 39 O 0.33444630655551 0.58356101014920 0.03278873305448 15.999 > 10 40 O 0.83444630655551 0.58356101014920 0.03278873305448 15.999 > 10 *41 O 0.12418470919276 0.04455527293562 0.22442638267878 15.999 > 11 42 O 0.62418470919276 0.04455527293562 0.22442638267878 15.999 > 11 43 O 0.12418470919276 0.54455527293562 0.22442638267878 15.999 > 11 44 O 0.62418470919276 0.54455527293562 0.22442638267878 15.999 > 11 45 O 0.12581529080724 0.29455527293562 0.22442638267878 15.999 > 12 46 O 0.62581529080724 0.29455527293562 0.22442638267878 15.999 > 12 47 O 0.12581529080724 0.79455527293562 0.22442638267878 15.999 > 12 48 O 0.62581529080724 0.79455527293562 0.22442638267878 15.999 > 12 49 O 0.37418470919276 0.04455527293562 0.27557361732122 15.999 > 13 50 O 0.87418470919276 0.04455527293562 0.27557361732122 15.999 > 13 51 O 0.37418470919276 0.54455527293562 0.27557361732122 15.999 > 13 52 O 0.87418470919276 0.54455527293562 0.27557361732122 15.999 > 13 53 O 0.37581529080724 0.29455527293562 0.27557361732122 15.999 > 14 54 O 0.87581529080724 0.29455527293562 0.27557361732122 15.999 > 14 55 O 0.37581529080724 0.79455527293562 0.27557361732122 15.999 > 14 56 O 0.87581529080724 0.79455527293562 0.27557361732122 15.999 > 14 57 O 0.08444630655551 0.08356101014920 0.46721126694552 15.999 > 15 58 O 0.58444630655551 0.08356101014920 0.46721126694552 15.999 > 15 59 O 0.08444630655551 0.58356101014920 0.46721126694552 15.999 > 15 60 O 0.58444630655551 0.58356101014920 0.46721126694552 15.999 > 15 61 O 0.16555369344449 0.33356101014920 0.46721126694552 15.999 > 16 62 O 0.66555369344449 0.33356101014920 0.46721126694552 15.999 > 16 63 O 0.16555369344449 0.83356101014920 0.46721126694552 15.999 > 16 64 O 0.66555369344449 0.83356101014920 0.46721126694552 15.999 > 16 65 O 0.33444630655551 0.16643898985080 0.53278873305448 15.999 > 17 66 O 0.83444630655551 0.16643898985080 0.53278873305448 15.999 > 17 67 O 0.33444630655551 0.66643898985080 0.53278873305448 15.999 > 17 68 O 0.83444630655551 0.66643898985080 0.53278873305448 15.999 > 17 69 O 0.41555369344449 0.41643898985080 0.53278873305448 15.999 > 18 70 O 0.91555369344449 0.41643898985080 0.53278873305448 15.999 > 18 71 O 0.41555369344449 0.91643898985080 0.53278873305448 15.999 > 18 72 O 0.91555369344449 0.91643898985080 0.53278873305448 15.999 > 18 73 O 0.12418470919276 0.20544472706438 0.72442638267878 15.999 > 19 74 O 0.62418470919276 0.20544472706438 0.72442638267878 15.999 > 19 75 O 0.12418470919276 0.70544472706438 0.72442638267878 15.999 > 19 76 O 0.62418470919276 0.70544472706438 0.72442638267878 15.999 > 19 77 O 0.12581529080724 0.45544472706438 0.72442638267878 15.999 > 20 78 O 0.62581529080724 0.45544472706438 0.72442638267878 15.999 > 20 79 O 0.12581529080724 0.95544472706438 0.72442638267878 15.999 > 20 80 O 0.62581529080724 0.95544472706438 0.72442638267878 15.999 > 20 81 O 0.37418470919276 0.20544472706438 0.77557361732122 15.999 > 21 82 O 0.87418470919276 0.20544472706438 0.77557361732122 15.999 > 21 83 O 0.37418470919276 0.70544472706438 0.77557361732122 15.999 > 21 84 O 0.87418470919276 0.70544472706438 0.77557361732122 15.999 > 21 85 O 0.37581529080724 0.45544472706438 0.77557361732122 15.999 > 22 86 O 0.87581529080724 0.45544472706438 0.77557361732122 15.999 > 22 87 O 0.37581529080724 0.95544472706438 0.77557361732122 15.999 > 22 88 O 0.87581529080724 0.95544472706438 0.77557361732122 15.999 > 22 89 O 0.08444630655551 0.16643898985080 0.96721126694552 15.999 > 23 90 O 0.58444630655551 0.16643898985080 0.96721126694552 15.999 > 23 91 O 0.08444630655551 0.66643898985080 0.96721126694552 15.999 > 23 92 O 0.58444630655551 0.66643898985080 0.96721126694552 15.999 > 23 93 O 0.16555369344449 0.41643898985080 0.96721126694552 15.999 > 24 94 O 0.66555369344449 0.41643898985080 0.96721126694552 15.999 > 24 95 O 0.16555369344449 0.91643898985080 0.96721126694552 15.999 > 24 96 O 0.66555369344449 0.91643898985080 0.96721126694552 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4065463 0.0000000 0.0000000 0.0000000 5.0954454 0.0000000 0.0000000 0.0000000 5.4904677 -------------------------- Born effective charges -------------------------- 1 Zr 5.4618636 -0.4190110 -0.1508846 -0.4068169 4.9374637 -0.0060224 -0.3432934 -0.0671081 5.6193097 2 Zr 5.4618636 0.4190110 0.1508846 0.4068169 4.9374637 -0.0060224 0.3432934 -0.0671081 5.6193097 3 Zr 5.4618636 0.4190110 -0.1508846 0.4068169 4.9374637 0.0060224 -0.3432934 0.0671081 5.6193097 4 Zr 5.4618636 -0.4190110 0.1508846 -0.4068169 4.9374637 0.0060224 0.3432934 0.0671081 5.6193097 5 Zr 5.4618636 -0.4190110 0.1508846 -0.4068169 4.9374637 0.0060224 0.3432934 0.0671081 5.6193097 6 Zr 5.4618636 0.4190110 -0.1508846 0.4068169 4.9374637 0.0060224 -0.3432934 0.0671081 5.6193097 7 Zr 5.4618636 -0.4190110 -0.1508846 -0.4068169 4.9374637 -0.0060224 -0.3432934 -0.0671081 5.6193097 8 Zr 5.4618636 0.4190110 0.1508846 0.4068169 4.9374637 -0.0060224 0.3432934 -0.0671081 5.6193097 9 O -2.6694709 0.9280257 1.2714723 0.9625246 -2.3114994 -0.0026710 0.9879014 0.0902483 -3.1219862 10 O -2.6694709 -0.9280257 -1.2714723 -0.9625246 -2.3114994 -0.0026710 -0.9879014 0.0902483 -3.1219862 11 O -2.7923927 0.3192266 0.1265183 0.4078773 -2.6259643 0.0976335 0.0727634 0.0057957 -2.4973234 12 O -2.7923927 -0.3192266 -0.1265183 -0.4078773 -2.6259643 0.0976335 -0.0727634 0.0057957 -2.4973234 13 O -2.7923927 0.3192266 -0.1265183 0.4078773 -2.6259643 -0.0976335 -0.0727634 -0.0057957 -2.4973234 14 O -2.7923927 -0.3192266 0.1265183 -0.4078773 -2.6259643 -0.0976335 0.0727634 -0.0057957 -2.4973234 15 O -2.6694709 -0.9280257 1.2714723 -0.9625246 -2.3114994 0.0026710 0.9879014 -0.0902483 -3.1219862 16 O -2.6694709 0.9280257 -1.2714723 0.9625246 -2.3114994 0.0026710 -0.9879014 -0.0902483 -3.1219862 17 O -2.6694709 0.9280257 -1.2714723 0.9625246 -2.3114994 0.0026710 -0.9879014 -0.0902483 -3.1219862 18 O -2.6694709 -0.9280257 1.2714723 -0.9625246 -2.3114994 0.0026710 0.9879014 -0.0902483 -3.1219862 19 O -2.7923927 -0.3192266 0.1265183 -0.4078773 -2.6259643 -0.0976335 0.0727634 -0.0057957 -2.4973234 20 O -2.7923927 0.3192266 -0.1265183 0.4078773 -2.6259643 -0.0976335 -0.0727634 -0.0057957 -2.4973234 21 O -2.7923927 -0.3192266 -0.1265183 -0.4078773 -2.6259643 0.0976335 -0.0727634 0.0057957 -2.4973234 22 O -2.7923927 0.3192266 0.1265183 0.4078773 -2.6259643 0.0976335 0.0727634 0.0057957 -2.4973234 23 O -2.6694709 0.9280257 1.2714723 0.9625246 -2.3114994 -0.0026710 0.9879014 0.0902483 -3.1219862 24 O -2.6694709 -0.9280257 -1.2714723 -0.9625246 -2.3114994 -0.0026710 -0.9879014 0.0902483 -3.1219862 ---------------------------------------------------------------------------- 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: 1368 Number of blocks in projector: 1368 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 400 - Time: 1.602 Solver_block: 200 / 400 - Time: 1.537 Solver_block: 300 / 400 - Time: 1.544 Solver_block: 400 / 400 - Time: 1.538 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.255 --------------------------------- 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: 1368 Number of blocks in projector: 1368 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), 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 2026-01-09 03:17:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:17:25]------------------------- 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: 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: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.194271530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.296275380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.174123730000000 Atomic positions (fractional): 1 Zr 0.54217568908044 0.84219634977089 0.13854122985003 91.224 2 Zr 0.95782431091956 0.34219634977089 0.13854122985003 91.224 3 Zr 0.45782431091956 0.34219634977089 0.36145877014998 91.224 4 Zr 0.04217568908044 0.84219634977089 0.36145877014998 91.224 5 Zr 0.95782431091956 0.15780365022911 0.63854122985002 91.224 6 Zr 0.54217568908044 0.65780365022911 0.63854122985002 91.224 7 Zr 0.45782431091956 0.15780365022911 0.86145877014998 91.224 8 Zr 0.04217568908044 0.65780365022911 0.86145877014998 91.224 9 O 0.83110738688898 0.66712202029840 0.03278873305448 15.999 10 O 0.66889261311102 0.16712202029840 0.03278873305448 15.999 11 O 0.24836941838552 0.08911054587124 0.22442638267878 15.999 12 O 0.25163058161448 0.58911054587124 0.22442638267878 15.999 13 O 0.74836941838552 0.08911054587124 0.27557361732122 15.999 14 O 0.75163058161448 0.58911054587124 0.27557361732122 15.999 15 O 0.16889261311102 0.16712202029840 0.46721126694552 15.999 16 O 0.33110738688898 0.66712202029840 0.46721126694552 15.999 17 O 0.66889261311102 0.33287797970160 0.53278873305448 15.999 18 O 0.83110738688898 0.83287797970160 0.53278873305448 15.999 19 O 0.24836941838552 0.41088945412876 0.72442638267878 15.999 20 O 0.25163058161448 0.91088945412876 0.72442638267878 15.999 21 O 0.74836941838552 0.41088945412876 0.77557361732122 15.999 22 O 0.75163058161448 0.91088945412876 0.77557361732122 15.999 23 O 0.16889261311102 0.33287797970160 0.96721126694552 15.999 24 O 0.33110738688898 0.83287797970160 0.96721126694552 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.388543060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.592550760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.174123730000000 Atomic positions (fractional): 1 Zr 0.27108784454022 0.42109817488545 0.13854122985003 91.224 > 1 2 Zr 0.77108784454022 0.42109817488545 0.13854122985003 91.224 > 1 3 Zr 0.27108784454022 0.92109817488545 0.13854122985003 91.224 > 1 4 Zr 0.77108784454022 0.92109817488545 0.13854122985003 91.224 > 1 5 Zr 0.47891215545978 0.17109817488545 0.13854122985003 91.224 > 5 6 Zr 0.97891215545978 0.17109817488545 0.13854122985003 91.224 > 5 7 Zr 0.47891215545978 0.67109817488545 0.13854122985003 91.224 > 5 8 Zr 0.97891215545978 0.67109817488545 0.13854122985003 91.224 > 5 9 Zr 0.22891215545978 0.17109817488545 0.36145877014998 91.224 > 9 10 Zr 0.72891215545978 0.17109817488545 0.36145877014998 91.224 > 9 11 Zr 0.22891215545978 0.67109817488545 0.36145877014998 91.224 > 9 12 Zr 0.72891215545978 0.67109817488545 0.36145877014998 91.224 > 9 13 Zr 0.02108784454022 0.42109817488545 0.36145877014998 91.224 > 13 14 Zr 0.52108784454022 0.42109817488545 0.36145877014998 91.224 > 13 15 Zr 0.02108784454022 0.92109817488545 0.36145877014998 91.224 > 13 16 Zr 0.52108784454022 0.92109817488545 0.36145877014998 91.224 > 13 17 Zr 0.47891215545978 0.07890182511455 0.63854122985002 91.224 > 17 18 Zr 0.97891215545978 0.07890182511455 0.63854122985002 91.224 > 17 19 Zr 0.47891215545978 0.57890182511455 0.63854122985002 91.224 > 17 20 Zr 0.97891215545978 0.57890182511455 0.63854122985002 91.224 > 17 21 Zr 0.27108784454022 0.32890182511455 0.63854122985002 91.224 > 21 22 Zr 0.77108784454022 0.32890182511455 0.63854122985002 91.224 > 21 23 Zr 0.27108784454022 0.82890182511455 0.63854122985002 91.224 > 21 24 Zr 0.77108784454022 0.82890182511455 0.63854122985002 91.224 > 21 25 Zr 0.22891215545978 0.07890182511455 0.86145877014998 91.224 > 25 26 Zr 0.72891215545978 0.07890182511455 0.86145877014998 91.224 > 25 27 Zr 0.22891215545978 0.57890182511455 0.86145877014998 91.224 > 25 28 Zr 0.72891215545978 0.57890182511455 0.86145877014998 91.224 > 25 29 Zr 0.02108784454022 0.32890182511455 0.86145877014998 91.224 > 29 30 Zr 0.52108784454022 0.32890182511455 0.86145877014998 91.224 > 29 31 Zr 0.02108784454022 0.82890182511455 0.86145877014998 91.224 > 29 32 Zr 0.52108784454022 0.82890182511455 0.86145877014998 91.224 > 29 33 O 0.41555369344449 0.33356101014920 0.03278873305448 15.999 > 33 34 O 0.91555369344449 0.33356101014920 0.03278873305448 15.999 > 33 35 O 0.41555369344449 0.83356101014920 0.03278873305448 15.999 > 33 36 O 0.91555369344449 0.83356101014920 0.03278873305448 15.999 > 33 37 O 0.33444630655551 0.08356101014920 0.03278873305448 15.999 > 37 38 O 0.83444630655551 0.08356101014920 0.03278873305448 15.999 > 37 39 O 0.33444630655551 0.58356101014920 0.03278873305448 15.999 > 37 40 O 0.83444630655551 0.58356101014920 0.03278873305448 15.999 > 37 41 O 0.12418470919276 0.04455527293562 0.22442638267878 15.999 > 41 42 O 0.62418470919276 0.04455527293562 0.22442638267878 15.999 > 41 43 O 0.12418470919276 0.54455527293562 0.22442638267878 15.999 > 41 44 O 0.62418470919276 0.54455527293562 0.22442638267878 15.999 > 41 45 O 0.12581529080724 0.29455527293562 0.22442638267878 15.999 > 45 46 O 0.62581529080724 0.29455527293562 0.22442638267878 15.999 > 45 47 O 0.12581529080724 0.79455527293562 0.22442638267878 15.999 > 45 48 O 0.62581529080724 0.79455527293562 0.22442638267878 15.999 > 45 49 O 0.37418470919276 0.04455527293562 0.27557361732122 15.999 > 49 50 O 0.87418470919276 0.04455527293562 0.27557361732122 15.999 > 49 51 O 0.37418470919276 0.54455527293562 0.27557361732122 15.999 > 49 52 O 0.87418470919276 0.54455527293562 0.27557361732122 15.999 > 49 53 O 0.37581529080724 0.29455527293562 0.27557361732122 15.999 > 53 54 O 0.87581529080724 0.29455527293562 0.27557361732122 15.999 > 53 55 O 0.37581529080724 0.79455527293562 0.27557361732122 15.999 > 53 56 O 0.87581529080724 0.79455527293562 0.27557361732122 15.999 > 53 57 O 0.08444630655551 0.08356101014920 0.46721126694552 15.999 > 57 58 O 0.58444630655551 0.08356101014920 0.46721126694552 15.999 > 57 59 O 0.08444630655551 0.58356101014920 0.46721126694552 15.999 > 57 60 O 0.58444630655551 0.58356101014920 0.46721126694552 15.999 > 57 61 O 0.16555369344449 0.33356101014920 0.46721126694552 15.999 > 61 62 O 0.66555369344449 0.33356101014920 0.46721126694552 15.999 > 61 63 O 0.16555369344449 0.83356101014920 0.46721126694552 15.999 > 61 64 O 0.66555369344449 0.83356101014920 0.46721126694552 15.999 > 61 65 O 0.33444630655551 0.16643898985080 0.53278873305448 15.999 > 65 66 O 0.83444630655551 0.16643898985080 0.53278873305448 15.999 > 65 67 O 0.33444630655551 0.66643898985080 0.53278873305448 15.999 > 65 68 O 0.83444630655551 0.66643898985080 0.53278873305448 15.999 > 65 69 O 0.41555369344449 0.41643898985080 0.53278873305448 15.999 > 69 70 O 0.91555369344449 0.41643898985080 0.53278873305448 15.999 > 69 71 O 0.41555369344449 0.91643898985080 0.53278873305448 15.999 > 69 72 O 0.91555369344449 0.91643898985080 0.53278873305448 15.999 > 69 73 O 0.12418470919276 0.20544472706438 0.72442638267878 15.999 > 73 74 O 0.62418470919276 0.20544472706438 0.72442638267878 15.999 > 73 75 O 0.12418470919276 0.70544472706438 0.72442638267878 15.999 > 73 76 O 0.62418470919276 0.70544472706438 0.72442638267878 15.999 > 73 77 O 0.12581529080724 0.45544472706438 0.72442638267878 15.999 > 77 78 O 0.62581529080724 0.45544472706438 0.72442638267878 15.999 > 77 79 O 0.12581529080724 0.95544472706438 0.72442638267878 15.999 > 77 80 O 0.62581529080724 0.95544472706438 0.72442638267878 15.999 > 77 81 O 0.37418470919276 0.20544472706438 0.77557361732122 15.999 > 81 82 O 0.87418470919276 0.20544472706438 0.77557361732122 15.999 > 81 83 O 0.37418470919276 0.70544472706438 0.77557361732122 15.999 > 81 84 O 0.87418470919276 0.70544472706438 0.77557361732122 15.999 > 81 85 O 0.37581529080724 0.45544472706438 0.77557361732122 15.999 > 85 86 O 0.87581529080724 0.45544472706438 0.77557361732122 15.999 > 85 87 O 0.37581529080724 0.95544472706438 0.77557361732122 15.999 > 85 88 O 0.87581529080724 0.95544472706438 0.77557361732122 15.999 > 85 89 O 0.08444630655551 0.16643898985080 0.96721126694552 15.999 > 89 90 O 0.58444630655551 0.16643898985080 0.96721126694552 15.999 > 89 91 O 0.08444630655551 0.66643898985080 0.96721126694552 15.999 > 89 92 O 0.58444630655551 0.66643898985080 0.96721126694552 15.999 > 89 93 O 0.16555369344449 0.41643898985080 0.96721126694552 15.999 > 93 94 O 0.66555369344449 0.41643898985080 0.96721126694552 15.999 > 93 95 O 0.16555369344449 0.91643898985080 0.96721126694552 15.999 > 93 96 O 0.66555369344449 0.91643898985080 0.96721126694552 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4065463 0.0000000 0.0000000 0.0000000 5.0954454 0.0000000 0.0000000 0.0000000 5.4904677 -------------------------- Born effective charges -------------------------- 1 Zr 5.4618636 -0.4190110 -0.1508846 -0.4068169 4.9374637 -0.0060224 -0.3432934 -0.0671081 5.6193097 2 Zr 5.4618636 0.4190110 0.1508846 0.4068169 4.9374637 -0.0060224 0.3432934 -0.0671081 5.6193097 3 Zr 5.4618636 0.4190110 -0.1508846 0.4068169 4.9374637 0.0060224 -0.3432934 0.0671081 5.6193097 4 Zr 5.4618636 -0.4190110 0.1508846 -0.4068169 4.9374637 0.0060224 0.3432934 0.0671081 5.6193097 5 Zr 5.4618636 -0.4190110 0.1508846 -0.4068169 4.9374637 0.0060224 0.3432934 0.0671081 5.6193097 6 Zr 5.4618636 0.4190110 -0.1508846 0.4068169 4.9374637 0.0060224 -0.3432934 0.0671081 5.6193097 7 Zr 5.4618636 -0.4190110 -0.1508846 -0.4068169 4.9374637 -0.0060224 -0.3432934 -0.0671081 5.6193097 8 Zr 5.4618636 0.4190110 0.1508846 0.4068169 4.9374637 -0.0060224 0.3432934 -0.0671081 5.6193097 9 O -2.6694709 0.9280257 1.2714723 0.9625246 -2.3114994 -0.0026710 0.9879014 0.0902483 -3.1219862 10 O -2.6694709 -0.9280257 -1.2714723 -0.9625246 -2.3114994 -0.0026710 -0.9879014 0.0902483 -3.1219862 11 O -2.7923927 0.3192266 0.1265183 0.4078773 -2.6259643 0.0976335 0.0727634 0.0057957 -2.4973234 12 O -2.7923927 -0.3192266 -0.1265183 -0.4078773 -2.6259643 0.0976335 -0.0727634 0.0057957 -2.4973234 13 O -2.7923927 0.3192266 -0.1265183 0.4078773 -2.6259643 -0.0976335 -0.0727634 -0.0057957 -2.4973234 14 O -2.7923927 -0.3192266 0.1265183 -0.4078773 -2.6259643 -0.0976335 0.0727634 -0.0057957 -2.4973234 15 O -2.6694709 -0.9280257 1.2714723 -0.9625246 -2.3114994 0.0026710 0.9879014 -0.0902483 -3.1219862 16 O -2.6694709 0.9280257 -1.2714723 0.9625246 -2.3114994 0.0026710 -0.9879014 -0.0902483 -3.1219862 17 O -2.6694709 0.9280257 -1.2714723 0.9625246 -2.3114994 0.0026710 -0.9879014 -0.0902483 -3.1219862 18 O -2.6694709 -0.9280257 1.2714723 -0.9625246 -2.3114994 0.0026710 0.9879014 -0.0902483 -3.1219862 19 O -2.7923927 -0.3192266 0.1265183 -0.4078773 -2.6259643 -0.0976335 0.0727634 -0.0057957 -2.4973234 20 O -2.7923927 0.3192266 -0.1265183 0.4078773 -2.6259643 -0.0976335 -0.0727634 -0.0057957 -2.4973234 21 O -2.7923927 -0.3192266 -0.1265183 -0.4078773 -2.6259643 0.0976335 -0.0727634 0.0057957 -2.4973234 22 O -2.7923927 0.3192266 0.1265183 0.4078773 -2.6259643 0.0976335 0.0727634 0.0057957 -2.4973234 23 O -2.6694709 0.9280257 1.2714723 0.9625246 -2.3114994 -0.0026710 0.9879014 0.0902483 -3.1219862 24 O -2.6694709 -0.9280257 -1.2714723 -0.9625246 -2.3114994 -0.0026710 -0.9879014 0.0902483 -3.1219862 ---------------------------------------------------------------------------- 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[ 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[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000005 (zzz) -0.00000005 (zzz) -0.00000005 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yz) 0.00000002 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:17:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:17:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.194271530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.296275380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.174123730000000 Atomic positions (fractional): 1 Zr 0.54217568908044 0.84219634977089 0.13854122985003 91.224 2 Zr 0.95782431091956 0.34219634977089 0.13854122985003 91.224 3 Zr 0.45782431091956 0.34219634977089 0.36145877014998 91.224 4 Zr 0.04217568908044 0.84219634977089 0.36145877014998 91.224 5 Zr 0.95782431091956 0.15780365022911 0.63854122985002 91.224 6 Zr 0.54217568908044 0.65780365022911 0.63854122985002 91.224 7 Zr 0.45782431091956 0.15780365022911 0.86145877014998 91.224 8 Zr 0.04217568908044 0.65780365022911 0.86145877014998 91.224 9 O 0.83110738688898 0.66712202029840 0.03278873305448 15.999 10 O 0.66889261311102 0.16712202029840 0.03278873305448 15.999 11 O 0.24836941838552 0.08911054587124 0.22442638267878 15.999 12 O 0.25163058161448 0.58911054587124 0.22442638267878 15.999 13 O 0.74836941838552 0.08911054587124 0.27557361732122 15.999 14 O 0.75163058161448 0.58911054587124 0.27557361732122 15.999 15 O 0.16889261311102 0.16712202029840 0.46721126694552 15.999 16 O 0.33110738688898 0.66712202029840 0.46721126694552 15.999 17 O 0.66889261311102 0.33287797970160 0.53278873305448 15.999 18 O 0.83110738688898 0.83287797970160 0.53278873305448 15.999 19 O 0.24836941838552 0.41088945412876 0.72442638267878 15.999 20 O 0.25163058161448 0.91088945412876 0.72442638267878 15.999 21 O 0.74836941838552 0.41088945412876 0.77557361732122 15.999 22 O 0.75163058161448 0.91088945412876 0.77557361732122 15.999 23 O 0.16889261311102 0.33287797970160 0.96721126694552 15.999 24 O 0.33110738688898 0.83287797970160 0.96721126694552 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.388543060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.592550760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.174123730000000 Atomic positions (fractional): 1 Zr 0.27108784454022 0.42109817488545 0.13854122985003 91.224 > 1 2 Zr 0.77108784454022 0.42109817488545 0.13854122985003 91.224 > 1 3 Zr 0.27108784454022 0.92109817488545 0.13854122985003 91.224 > 1 4 Zr 0.77108784454022 0.92109817488545 0.13854122985003 91.224 > 1 5 Zr 0.47891215545978 0.17109817488545 0.13854122985003 91.224 > 5 6 Zr 0.97891215545978 0.17109817488545 0.13854122985003 91.224 > 5 7 Zr 0.47891215545978 0.67109817488545 0.13854122985003 91.224 > 5 8 Zr 0.97891215545978 0.67109817488545 0.13854122985003 91.224 > 5 9 Zr 0.22891215545978 0.17109817488545 0.36145877014998 91.224 > 9 10 Zr 0.72891215545978 0.17109817488545 0.36145877014998 91.224 > 9 11 Zr 0.22891215545978 0.67109817488545 0.36145877014998 91.224 > 9 12 Zr 0.72891215545978 0.67109817488545 0.36145877014998 91.224 > 9 13 Zr 0.02108784454022 0.42109817488545 0.36145877014998 91.224 > 13 14 Zr 0.52108784454022 0.42109817488545 0.36145877014998 91.224 > 13 15 Zr 0.02108784454022 0.92109817488545 0.36145877014998 91.224 > 13 16 Zr 0.52108784454022 0.92109817488545 0.36145877014998 91.224 > 13 17 Zr 0.47891215545978 0.07890182511455 0.63854122985002 91.224 > 17 18 Zr 0.97891215545978 0.07890182511455 0.63854122985002 91.224 > 17 19 Zr 0.47891215545978 0.57890182511455 0.63854122985002 91.224 > 17 20 Zr 0.97891215545978 0.57890182511455 0.63854122985002 91.224 > 17 21 Zr 0.27108784454022 0.32890182511455 0.63854122985002 91.224 > 21 22 Zr 0.77108784454022 0.32890182511455 0.63854122985002 91.224 > 21 23 Zr 0.27108784454022 0.82890182511455 0.63854122985002 91.224 > 21 24 Zr 0.77108784454022 0.82890182511455 0.63854122985002 91.224 > 21 25 Zr 0.22891215545978 0.07890182511455 0.86145877014998 91.224 > 25 26 Zr 0.72891215545978 0.07890182511455 0.86145877014998 91.224 > 25 27 Zr 0.22891215545978 0.57890182511455 0.86145877014998 91.224 > 25 28 Zr 0.72891215545978 0.57890182511455 0.86145877014998 91.224 > 25 29 Zr 0.02108784454022 0.32890182511455 0.86145877014998 91.224 > 29 30 Zr 0.52108784454022 0.32890182511455 0.86145877014998 91.224 > 29 31 Zr 0.02108784454022 0.82890182511455 0.86145877014998 91.224 > 29 32 Zr 0.52108784454022 0.82890182511455 0.86145877014998 91.224 > 29 33 O 0.41555369344449 0.33356101014920 0.03278873305448 15.999 > 33 34 O 0.91555369344449 0.33356101014920 0.03278873305448 15.999 > 33 35 O 0.41555369344449 0.83356101014920 0.03278873305448 15.999 > 33 36 O 0.91555369344449 0.83356101014920 0.03278873305448 15.999 > 33 37 O 0.33444630655551 0.08356101014920 0.03278873305448 15.999 > 37 38 O 0.83444630655551 0.08356101014920 0.03278873305448 15.999 > 37 39 O 0.33444630655551 0.58356101014920 0.03278873305448 15.999 > 37 40 O 0.83444630655551 0.58356101014920 0.03278873305448 15.999 > 37 41 O 0.12418470919276 0.04455527293562 0.22442638267878 15.999 > 41 42 O 0.62418470919276 0.04455527293562 0.22442638267878 15.999 > 41 43 O 0.12418470919276 0.54455527293562 0.22442638267878 15.999 > 41 44 O 0.62418470919276 0.54455527293562 0.22442638267878 15.999 > 41 45 O 0.12581529080724 0.29455527293562 0.22442638267878 15.999 > 45 46 O 0.62581529080724 0.29455527293562 0.22442638267878 15.999 > 45 47 O 0.12581529080724 0.79455527293562 0.22442638267878 15.999 > 45 48 O 0.62581529080724 0.79455527293562 0.22442638267878 15.999 > 45 49 O 0.37418470919276 0.04455527293562 0.27557361732122 15.999 > 49 50 O 0.87418470919276 0.04455527293562 0.27557361732122 15.999 > 49 51 O 0.37418470919276 0.54455527293562 0.27557361732122 15.999 > 49 52 O 0.87418470919276 0.54455527293562 0.27557361732122 15.999 > 49 53 O 0.37581529080724 0.29455527293562 0.27557361732122 15.999 > 53 54 O 0.87581529080724 0.29455527293562 0.27557361732122 15.999 > 53 55 O 0.37581529080724 0.79455527293562 0.27557361732122 15.999 > 53 56 O 0.87581529080724 0.79455527293562 0.27557361732122 15.999 > 53 57 O 0.08444630655551 0.08356101014920 0.46721126694552 15.999 > 57 58 O 0.58444630655551 0.08356101014920 0.46721126694552 15.999 > 57 59 O 0.08444630655551 0.58356101014920 0.46721126694552 15.999 > 57 60 O 0.58444630655551 0.58356101014920 0.46721126694552 15.999 > 57 61 O 0.16555369344449 0.33356101014920 0.46721126694552 15.999 > 61 62 O 0.66555369344449 0.33356101014920 0.46721126694552 15.999 > 61 63 O 0.16555369344449 0.83356101014920 0.46721126694552 15.999 > 61 64 O 0.66555369344449 0.83356101014920 0.46721126694552 15.999 > 61 65 O 0.33444630655551 0.16643898985080 0.53278873305448 15.999 > 65 66 O 0.83444630655551 0.16643898985080 0.53278873305448 15.999 > 65 67 O 0.33444630655551 0.66643898985080 0.53278873305448 15.999 > 65 68 O 0.83444630655551 0.66643898985080 0.53278873305448 15.999 > 65 69 O 0.41555369344449 0.41643898985080 0.53278873305448 15.999 > 69 70 O 0.91555369344449 0.41643898985080 0.53278873305448 15.999 > 69 71 O 0.41555369344449 0.91643898985080 0.53278873305448 15.999 > 69 72 O 0.91555369344449 0.91643898985080 0.53278873305448 15.999 > 69 73 O 0.12418470919276 0.20544472706438 0.72442638267878 15.999 > 73 74 O 0.62418470919276 0.20544472706438 0.72442638267878 15.999 > 73 75 O 0.12418470919276 0.70544472706438 0.72442638267878 15.999 > 73 76 O 0.62418470919276 0.70544472706438 0.72442638267878 15.999 > 73 77 O 0.12581529080724 0.45544472706438 0.72442638267878 15.999 > 77 78 O 0.62581529080724 0.45544472706438 0.72442638267878 15.999 > 77 79 O 0.12581529080724 0.95544472706438 0.72442638267878 15.999 > 77 80 O 0.62581529080724 0.95544472706438 0.72442638267878 15.999 > 77 81 O 0.37418470919276 0.20544472706438 0.77557361732122 15.999 > 81 82 O 0.87418470919276 0.20544472706438 0.77557361732122 15.999 > 81 83 O 0.37418470919276 0.70544472706438 0.77557361732122 15.999 > 81 84 O 0.87418470919276 0.70544472706438 0.77557361732122 15.999 > 81 85 O 0.37581529080724 0.45544472706438 0.77557361732122 15.999 > 85 86 O 0.87581529080724 0.45544472706438 0.77557361732122 15.999 > 85 87 O 0.37581529080724 0.95544472706438 0.77557361732122 15.999 > 85 88 O 0.87581529080724 0.95544472706438 0.77557361732122 15.999 > 85 89 O 0.08444630655551 0.16643898985080 0.96721126694552 15.999 > 89 90 O 0.58444630655551 0.16643898985080 0.96721126694552 15.999 > 89 91 O 0.08444630655551 0.66643898985080 0.96721126694552 15.999 > 89 92 O 0.58444630655551 0.66643898985080 0.96721126694552 15.999 > 89 93 O 0.16555369344449 0.41643898985080 0.96721126694552 15.999 > 93 94 O 0.66555369344449 0.41643898985080 0.96721126694552 15.999 > 93 95 O 0.16555369344449 0.91643898985080 0.96721126694552 15.999 > 93 96 O 0.66555369344449 0.91643898985080 0.96721126694552 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4065463 0.0000000 0.0000000 0.0000000 5.0954454 0.0000000 0.0000000 0.0000000 5.4904677 -------------------------- Born effective charges -------------------------- 1 Zr 5.4618636 -0.4190110 -0.1508846 -0.4068169 4.9374637 -0.0060224 -0.3432934 -0.0671081 5.6193097 2 Zr 5.4618636 0.4190110 0.1508846 0.4068169 4.9374637 -0.0060224 0.3432934 -0.0671081 5.6193097 3 Zr 5.4618636 0.4190110 -0.1508846 0.4068169 4.9374637 0.0060224 -0.3432934 0.0671081 5.6193097 4 Zr 5.4618636 -0.4190110 0.1508846 -0.4068169 4.9374637 0.0060224 0.3432934 0.0671081 5.6193097 5 Zr 5.4618636 -0.4190110 0.1508846 -0.4068169 4.9374637 0.0060224 0.3432934 0.0671081 5.6193097 6 Zr 5.4618636 0.4190110 -0.1508846 0.4068169 4.9374637 0.0060224 -0.3432934 0.0671081 5.6193097 7 Zr 5.4618636 -0.4190110 -0.1508846 -0.4068169 4.9374637 -0.0060224 -0.3432934 -0.0671081 5.6193097 8 Zr 5.4618636 0.4190110 0.1508846 0.4068169 4.9374637 -0.0060224 0.3432934 -0.0671081 5.6193097 9 O -2.6694709 0.9280257 1.2714723 0.9625246 -2.3114994 -0.0026710 0.9879014 0.0902483 -3.1219862 10 O -2.6694709 -0.9280257 -1.2714723 -0.9625246 -2.3114994 -0.0026710 -0.9879014 0.0902483 -3.1219862 11 O -2.7923927 0.3192266 0.1265183 0.4078773 -2.6259643 0.0976335 0.0727634 0.0057957 -2.4973234 12 O -2.7923927 -0.3192266 -0.1265183 -0.4078773 -2.6259643 0.0976335 -0.0727634 0.0057957 -2.4973234 13 O -2.7923927 0.3192266 -0.1265183 0.4078773 -2.6259643 -0.0976335 -0.0727634 -0.0057957 -2.4973234 14 O -2.7923927 -0.3192266 0.1265183 -0.4078773 -2.6259643 -0.0976335 0.0727634 -0.0057957 -2.4973234 15 O -2.6694709 -0.9280257 1.2714723 -0.9625246 -2.3114994 0.0026710 0.9879014 -0.0902483 -3.1219862 16 O -2.6694709 0.9280257 -1.2714723 0.9625246 -2.3114994 0.0026710 -0.9879014 -0.0902483 -3.1219862 17 O -2.6694709 0.9280257 -1.2714723 0.9625246 -2.3114994 0.0026710 -0.9879014 -0.0902483 -3.1219862 18 O -2.6694709 -0.9280257 1.2714723 -0.9625246 -2.3114994 0.0026710 0.9879014 -0.0902483 -3.1219862 19 O -2.7923927 -0.3192266 0.1265183 -0.4078773 -2.6259643 -0.0976335 0.0727634 -0.0057957 -2.4973234 20 O -2.7923927 0.3192266 -0.1265183 0.4078773 -2.6259643 -0.0976335 -0.0727634 -0.0057957 -2.4973234 21 O -2.7923927 -0.3192266 -0.1265183 -0.4078773 -2.6259643 0.0976335 -0.0727634 0.0057957 -2.4973234 22 O -2.7923927 0.3192266 0.1265183 0.4078773 -2.6259643 0.0976335 0.0727634 0.0057957 -2.4973234 23 O -2.6694709 0.9280257 1.2714723 0.9625246 -2.3114994 -0.0026710 0.9879014 0.0902483 -3.1219862 24 O -2.6694709 -0.9280257 -1.2714723 -0.9625246 -2.3114994 -0.0026710 -0.9879014 0.0902483 -3.1219862 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (zzz) -0.00000005 (zzz) -0.00000005 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 305, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 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 2.857 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 3.974 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.646 ( 0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 6.287 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.481 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.375 ( 0.000 0.000 0.000) 0.000 8.610 ( 0.000 0.000 0.000) 0.000 8.768 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 9.284 ( 0.000 0.000 0.000) 0.000 9.344 ( 0.000 0.000 0.000) 0.000 9.356 ( 0.000 0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.649 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.208 ( 0.000 0.000 0.000) 0.000 10.515 ( 0.000 0.000 0.000) 0.000 10.728 ( 0.000 0.000 0.000) 0.000 11.025 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.109 ( 0.000 0.000 0.000) 0.000 11.211 ( 0.000 0.000 0.000) 0.000 11.234 ( 0.000 0.000 0.000) 0.000 11.605 ( 0.000 0.000 0.000) 0.000 12.144 ( 0.000 0.000 0.000) 0.000 12.896 ( 0.000 0.000 0.000) 0.000 13.179 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 14.212 ( 0.000 0.000 0.000) 0.000 14.266 ( 0.000 0.000 0.000) 0.000 14.374 ( 0.000 0.000 0.000) 0.000 14.463 ( 0.000 0.000 0.000) 0.000 14.925 ( 0.000 0.000 0.000) 0.000 14.997 ( 0.000 0.000 0.000) 0.000 15.594 ( 0.000 0.000 0.000) 0.000 15.626 ( 0.000 0.000 0.000) 0.000 15.868 ( 0.000 0.000 0.000) 0.000 16.077 ( 0.000 0.000 0.000) 0.000 16.472 ( 0.000 0.000 0.000) 0.000 16.572 ( 0.000 0.000 0.000) 0.000 17.066 ( 0.000 0.000 0.000) 0.000 17.543 ( 0.000 0.000 0.000) 0.000 17.703 ( 0.000 0.000 0.000) 0.000 18.261 ( 0.000 0.000 0.000) 0.000 18.723 ( 0.000 0.000 0.000) 0.000 19.008 ( 0.000 0.000 0.000) 0.000 19.052 ( 0.000 0.000 0.000) 0.000 21.128 ( 0.000 0.000 0.000) 0.000 22.054 ( 0.000 0.000 0.000) 0.000 22.444 ( 0.000 0.000 0.000) 0.000 23.543 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 39.725 0.000 0.000) 39.725 0.907 ( 46.582 0.000 0.000) 46.582 1.547 ( 79.161 0.000 0.000) 79.161 2.978 ( 11.217 0.000 0.000) 11.217 3.322 ( 18.411 0.000 0.000) 18.411 3.389 ( 17.162 0.000 0.000) 17.162 3.892 ( -1.768 0.000 0.000) 1.768 4.089 ( 11.530 0.000 0.000) 11.530 4.210 ( 0.867 0.000 0.000) 0.867 4.810 ( -8.986 0.000 0.000) 8.986 5.075 ( 13.792 0.000 0.000) 13.792 5.275 ( 7.056 0.000 0.000) 7.056 5.330 ( 9.002 0.000 0.000) 9.002 5.419 ( -5.966 0.000 0.000) 5.966 5.605 ( -3.265 0.000 0.000) 3.265 5.716 ( -15.585 0.000 0.000) 15.585 6.345 ( 5.588 0.000 0.000) 5.588 6.646 ( -1.847 0.000 0.000) 1.847 7.110 ( 4.666 0.000 0.000) 4.666 7.144 ( 3.870 0.000 0.000) 3.870 7.401 ( -23.327 0.000 0.000) 23.327 7.730 ( 4.203 0.000 0.000) 4.203 7.951 ( 18.149 0.000 0.000) 18.149 8.055 ( 10.698 0.000 0.000) 10.698 8.202 ( 6.762 0.000 0.000) 6.762 8.532 ( 14.272 0.000 0.000) 14.272 8.763 ( 11.725 0.000 0.000) 11.725 8.790 ( 2.042 0.000 0.000) 2.042 8.878 ( 1.119 0.000 0.000) 1.119 8.971 ( 5.420 0.000 0.000) 5.420 9.244 ( -3.963 0.000 0.000) 3.963 9.446 ( 4.810 0.000 0.000) 4.810 9.452 ( 9.038 0.000 0.000) 9.038 9.588 ( 1.771 0.000 0.000) 1.771 10.094 ( -3.476 0.000 0.000) 3.476 10.102 ( -6.700 0.000 0.000) 6.700 10.197 ( -1.765 0.000 0.000) 1.765 10.550 ( 4.134 0.000 0.000) 4.134 10.660 ( -6.626 0.000 0.000) 6.626 11.003 ( -2.425 0.000 0.000) 2.425 11.131 ( 2.491 0.000 0.000) 2.491 11.166 ( -4.608 0.000 0.000) 4.608 11.225 ( -0.797 0.000 0.000) 0.797 11.582 ( -1.971 0.000 0.000) 1.971 12.078 ( -5.497 0.000 0.000) 5.497 12.949 ( 3.996 0.000 0.000) 3.996 13.281 ( 10.865 0.000 0.000) 10.865 13.341 ( -4.308 0.000 0.000) 4.308 13.471 ( 4.333 0.000 0.000) 4.333 14.202 ( -5.922 0.000 0.000) 5.922 14.234 ( 2.156 0.000 0.000) 2.156 14.377 ( -8.735 0.000 0.000) 8.735 14.946 ( 2.181 0.000 0.000) 2.181 15.030 ( 2.477 0.000 0.000) 2.477 15.482 ( -10.379 0.000 0.000) 10.379 15.633 ( 0.660 0.000 0.000) 0.660 15.804 ( -7.316 0.000 0.000) 7.316 15.984 ( -9.377 0.000 0.000) 9.377 16.332 ( 1.501 0.000 0.000) 1.501 16.407 ( -11.608 0.000 0.000) 11.608 16.440 ( -3.163 0.000 0.000) 3.163 17.468 ( -7.455 0.000 0.000) 7.455 17.867 ( -29.966 0.000 0.000) 29.966 18.061 ( 28.158 0.000 0.000) 28.158 18.343 ( -23.829 0.000 0.000) 23.829 19.329 ( 26.984 0.000 0.000) 26.984 19.391 ( 22.269 0.000 0.000) 22.269 21.138 ( 0.896 0.000 0.000) 0.896 22.057 ( 0.205 0.000 0.000) 0.205 22.137 ( -0.910 0.000 0.000) 0.910 22.369 ( -7.757 0.000 0.000) 7.757 23.405 ( -14.043 0.000 0.000) 14.043 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 40.078 0.000 0.000) 40.078 1.784 ( 44.256 0.000 0.000) 44.256 3.003 ( 67.598 0.000 0.000) 67.598 3.249 ( 19.506 0.000 0.000) 19.506 3.762 ( 23.748 0.000 0.000) 23.748 3.837 ( -3.793 0.000 0.000) 3.793 3.870 ( 31.823 0.000 0.000) 31.823 4.209 ( -1.262 0.000 0.000) 1.262 4.381 ( 17.230 0.000 0.000) 17.230 4.636 ( -7.184 0.000 0.000) 7.184 5.247 ( -11.689 0.000 0.000) 11.689 5.282 ( 0.161 0.000 0.000) 0.161 5.368 ( -19.059 0.000 0.000) 19.059 5.467 ( 12.562 0.000 0.000) 12.562 5.525 ( 10.038 0.000 0.000) 10.038 5.687 ( 18.915 0.000 0.000) 18.915 6.476 ( 6.730 0.000 0.000) 6.730 6.579 ( -5.219 0.000 0.000) 5.219 6.917 ( -23.239 0.000 0.000) 23.239 7.226 ( 8.264 0.000 0.000) 8.264 7.293 ( 10.601 0.000 0.000) 10.601 7.856 ( 8.444 0.000 0.000) 8.444 8.162 ( -2.212 0.000 0.000) 2.212 8.295 ( 13.627 0.000 0.000) 13.627 8.372 ( 9.707 0.000 0.000) 9.707 8.806 ( 11.300 0.000 0.000) 11.300 8.823 ( -0.130 0.000 0.000) 0.130 8.940 ( 5.421 0.000 0.000) 5.421 9.030 ( 13.502 0.000 0.000) 13.502 9.093 ( 6.357 0.000 0.000) 6.357 9.159 ( -2.984 0.000 0.000) 2.984 9.515 ( -11.763 0.000 0.000) 11.763 9.595 ( 10.548 0.000 0.000) 10.548 9.700 ( 18.656 0.000 0.000) 18.656 9.897 ( -14.765 0.000 0.000) 14.765 10.086 ( -2.332 0.000 0.000) 2.332 10.231 ( 12.761 0.000 0.000) 12.761 10.506 ( -8.292 0.000 0.000) 8.292 10.699 ( 11.522 0.000 0.000) 11.522 10.926 ( -5.581 0.000 0.000) 5.581 11.041 ( -8.017 0.000 0.000) 8.017 11.213 ( -0.183 0.000 0.000) 0.183 11.221 ( 7.399 0.000 0.000) 7.399 11.571 ( 2.919 0.000 0.000) 2.919 11.991 ( -2.033 0.000 0.000) 2.033 13.017 ( 3.213 0.000 0.000) 3.213 13.208 ( -9.652 0.000 0.000) 9.652 13.582 ( 19.574 0.000 0.000) 19.574 13.588 ( 7.518 0.000 0.000) 7.518 14.071 ( -6.988 0.000 0.000) 6.988 14.150 ( -13.811 0.000 0.000) 13.811 14.290 ( 3.525 0.000 0.000) 3.525 15.006 ( 3.992 0.000 0.000) 3.992 15.045 ( -1.964 0.000 0.000) 1.964 15.252 ( -13.012 0.000 0.000) 13.012 15.563 ( -17.378 0.000 0.000) 17.378 15.590 ( -11.054 0.000 0.000) 11.054 15.787 ( -4.859 0.000 0.000) 4.859 16.235 ( -6.309 0.000 0.000) 6.309 16.362 ( -4.533 0.000 0.000) 4.533 16.371 ( 2.388 0.000 0.000) 2.388 17.277 ( -11.662 0.000 0.000) 11.662 17.278 ( -29.598 0.000 0.000) 29.598 17.743 ( -31.119 0.000 0.000) 31.119 18.787 ( 38.335 0.000 0.000) 38.335 19.814 ( 21.640 0.000 0.000) 21.640 19.847 ( 25.804 0.000 0.000) 25.804 21.154 ( 0.526 0.000 0.000) 0.526 22.059 ( -0.031 0.000 0.000) 0.031 22.113 ( -1.545 0.000 0.000) 1.545 22.149 ( -14.869 0.000 0.000) 14.869 23.025 ( -24.647 0.000 0.000) 24.647 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 39.380 0.000 0.000) 39.380 2.602 ( 40.529 0.000 0.000) 40.529 3.527 ( 17.145 0.000 0.000) 17.145 3.760 ( -3.686 0.000 0.000) 3.686 3.965 ( -5.640 0.000 0.000) 5.640 4.218 ( 45.571 0.000 0.000) 45.571 4.242 ( 3.190 0.000 0.000) 3.190 4.606 ( 42.344 0.000 0.000) 42.344 4.639 ( 8.940 0.000 0.000) 8.940 4.652 ( 6.601 0.000 0.000) 6.601 4.988 ( -11.586 0.000 0.000) 11.586 5.023 ( -16.002 0.000 0.000) 16.002 5.216 ( -0.581 0.000 0.000) 0.581 5.655 ( 2.857 0.000 0.000) 2.857 5.773 ( 20.493 0.000 0.000) 20.493 6.151 ( 16.346 0.000 0.000) 16.346 6.515 ( 7.368 0.000 0.000) 7.368 6.543 ( -0.847 0.000 0.000) 0.847 6.613 ( -4.929 0.000 0.000) 4.929 7.460 ( 16.026 0.000 0.000) 16.026 7.560 ( 16.533 0.000 0.000) 16.533 7.932 ( -18.390 0.000 0.000) 18.390 8.030 ( 8.939 0.000 0.000) 8.939 8.504 ( 1.739 0.000 0.000) 1.739 8.551 ( 11.892 0.000 0.000) 11.892 8.690 ( -14.463 0.000 0.000) 14.463 8.892 ( -5.567 0.000 0.000) 5.567 8.973 ( -1.205 0.000 0.000) 1.205 9.072 ( -4.998 0.000 0.000) 4.998 9.211 ( -14.509 0.000 0.000) 14.509 9.228 ( 10.493 0.000 0.000) 10.493 9.242 ( 2.851 0.000 0.000) 2.851 9.561 ( -18.011 0.000 0.000) 18.011 9.829 ( 13.087 0.000 0.000) 13.087 10.009 ( -3.866 0.000 0.000) 3.866 10.175 ( 23.530 0.000 0.000) 23.530 10.375 ( -4.840 0.000 0.000) 4.840 10.506 ( 6.126 0.000 0.000) 6.126 10.814 ( -3.944 0.000 0.000) 3.944 10.874 ( -8.711 0.000 0.000) 8.711 11.013 ( 23.717 0.000 0.000) 23.717 11.228 ( 1.919 0.000 0.000) 1.919 11.393 ( 7.692 0.000 0.000) 7.692 11.822 ( 26.351 0.000 0.000) 26.351 12.075 ( 13.309 0.000 0.000) 13.309 12.969 ( -14.998 0.000 0.000) 14.998 13.094 ( 5.498 0.000 0.000) 5.498 13.747 ( 8.508 0.000 0.000) 8.508 13.875 ( -14.484 0.000 0.000) 14.484 13.949 ( -5.546 0.000 0.000) 5.546 14.009 ( 24.219 0.000 0.000) 24.219 14.364 ( 4.187 0.000 0.000) 4.187 14.907 ( -14.844 0.000 0.000) 14.844 14.909 ( -25.731 0.000 0.000) 25.731 15.098 ( 5.569 0.000 0.000) 5.569 15.214 ( -21.838 0.000 0.000) 21.838 15.237 ( -12.871 0.000 0.000) 12.871 15.823 ( 4.809 0.000 0.000) 4.809 16.122 ( -6.767 0.000 0.000) 6.767 16.284 ( -3.163 0.000 0.000) 3.163 16.407 ( 0.046 0.000 0.000) 0.046 16.779 ( -20.278 0.000 0.000) 20.278 17.046 ( -11.706 0.000 0.000) 11.706 17.131 ( -31.521 0.000 0.000) 31.521 19.528 ( 37.941 0.000 0.000) 37.941 20.235 ( 22.493 0.000 0.000) 22.493 20.304 ( 21.513 0.000 0.000) 21.513 21.147 ( -1.574 0.000 0.000) 1.574 21.803 ( -20.826 0.000 0.000) 20.826 22.054 ( -0.521 0.000 0.000) 0.521 22.081 ( -1.675 0.000 0.000) 1.675 22.487 ( -30.535 0.000 0.000) 30.535 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 35.133 0.000 0.000) 35.133 3.336 ( 35.444 0.000 0.000) 35.444 3.724 ( 0.980 0.000 0.000) 0.980 3.785 ( -10.390 0.000 0.000) 10.390 3.863 ( 17.278 0.000 0.000) 17.278 4.171 ( -10.330 0.000 0.000) 10.330 4.507 ( -19.922 0.000 0.000) 19.922 4.560 ( -12.919 0.000 0.000) 12.919 4.741 ( -2.700 0.000 0.000) 2.700 4.775 ( -9.309 0.000 0.000) 9.309 4.941 ( 25.405 0.000 0.000) 25.405 5.321 ( 6.921 0.000 0.000) 6.921 5.449 ( 27.224 0.000 0.000) 27.224 5.783 ( 14.627 0.000 0.000) 14.627 6.073 ( -13.209 0.000 0.000) 13.209 6.369 ( 43.124 0.000 0.000) 43.124 6.431 ( -10.741 0.000 0.000) 10.741 6.732 ( 14.494 0.000 0.000) 14.494 7.035 ( 34.033 0.000 0.000) 34.033 7.522 ( -22.819 0.000 0.000) 22.819 7.804 ( 17.777 0.000 0.000) 17.777 7.890 ( 15.979 0.000 0.000) 15.979 8.171 ( 3.982 0.000 0.000) 3.982 8.195 ( -32.165 0.000 0.000) 32.165 8.487 ( -6.295 0.000 0.000) 6.295 8.519 ( -26.161 0.000 0.000) 26.161 8.681 ( -0.149 0.000 0.000) 0.149 8.893 ( -12.332 0.000 0.000) 12.332 8.975 ( 4.310 0.000 0.000) 4.310 9.109 ( 0.085 0.000 0.000) 0.085 9.221 ( -3.987 0.000 0.000) 3.987 9.266 ( -9.381 0.000 0.000) 9.381 9.525 ( 16.194 0.000 0.000) 16.194 9.952 ( -2.920 0.000 0.000) 2.920 10.082 ( 12.813 0.000 0.000) 12.813 10.314 ( -2.131 0.000 0.000) 2.131 10.394 ( 0.778 0.000 0.000) 0.778 10.413 ( -9.754 0.000 0.000) 9.754 10.738 ( -4.393 0.000 0.000) 4.393 10.779 ( -2.265 0.000 0.000) 2.265 11.286 ( 3.922 0.000 0.000) 3.922 11.436 ( -1.051 0.000 0.000) 1.051 11.634 ( 34.385 0.000 0.000) 34.385 12.526 ( 31.434 0.000 0.000) 31.434 12.548 ( 44.973 0.000 0.000) 44.973 12.640 ( -19.139 0.000 0.000) 19.139 13.263 ( 13.003 0.000 0.000) 13.003 13.580 ( -17.092 0.000 0.000) 17.092 13.841 ( -7.546 0.000 0.000) 7.546 13.891 ( 5.929 0.000 0.000) 5.929 14.290 ( -36.078 0.000 0.000) 36.078 14.410 ( -32.336 0.000 0.000) 32.336 14.466 ( 7.070 0.000 0.000) 7.070 14.486 ( 24.092 0.000 0.000) 24.092 14.890 ( -13.424 0.000 0.000) 13.424 15.054 ( -8.054 0.000 0.000) 8.054 15.235 ( 9.701 0.000 0.000) 9.701 15.916 ( -16.263 0.000 0.000) 16.263 15.930 ( 6.189 0.000 0.000) 6.189 16.257 ( 0.748 0.000 0.000) 0.748 16.275 ( -12.085 0.000 0.000) 12.085 16.595 ( -21.707 0.000 0.000) 21.707 16.612 ( 1.341 0.000 0.000) 1.341 16.843 ( -9.185 0.000 0.000) 9.185 20.227 ( 34.195 0.000 0.000) 34.195 20.669 ( 16.272 0.000 0.000) 16.272 20.700 ( 26.340 0.000 0.000) 26.340 21.082 ( -5.437 0.000 0.000) 5.437 21.357 ( -25.277 0.000 0.000) 25.277 21.875 ( -32.499 0.000 0.000) 32.499 22.042 ( -0.532 0.000 0.000) 0.532 22.053 ( -1.182 0.000 0.000) 1.182 ======================= Grid point 5 (6/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( -16.905 0.000 0.000) 16.905 3.557 ( 16.905 0.000 0.000) 16.905 3.871 ( -16.176 0.000 0.000) 16.176 3.871 ( 16.176 0.000 0.000) 16.176 3.941 ( -24.312 0.000 0.000) 24.312 3.941 ( 24.312 0.000 0.000) 24.312 4.277 ( -12.286 0.000 0.000) 12.286 4.277 ( 12.286 0.000 0.000) 12.286 4.681 ( -0.156 0.000 0.000) 0.156 4.681 ( 0.156 0.000 0.000) 0.156 5.313 ( -10.284 0.000 0.000) 10.284 5.313 ( 10.284 0.000 0.000) 10.284 5.801 ( -14.161 0.000 0.000) 14.161 5.801 ( 14.161 0.000 0.000) 14.161 6.140 ( -18.769 0.000 0.000) 18.769 6.140 ( 18.769 0.000 0.000) 18.769 7.088 ( -21.369 0.000 0.000) 21.369 7.088 ( 21.369 0.000 0.000) 21.369 7.241 ( -36.854 0.000 0.000) 36.854 7.241 ( 36.854 0.000 0.000) 36.854 7.873 ( -23.283 0.000 0.000) 23.283 7.873 ( 23.283 0.000 0.000) 23.283 8.047 ( -3.493 0.000 0.000) 3.493 8.047 ( 3.493 0.000 0.000) 3.493 8.363 ( -5.501 0.000 0.000) 5.501 8.363 ( 5.501 0.000 0.000) 5.501 8.683 ( -5.982 0.000 0.000) 5.982 8.683 ( 5.982 0.000 0.000) 5.982 9.108 ( -7.352 0.000 0.000) 7.352 9.108 ( 7.352 0.000 0.000) 7.352 9.145 ( -3.712 0.000 0.000) 3.712 9.145 ( 3.712 0.000 0.000) 3.712 9.819 ( -12.244 0.000 0.000) 12.244 9.819 ( 12.244 0.000 0.000) 12.244 10.293 ( -1.290 0.000 0.000) 1.290 10.293 ( 1.290 0.000 0.000) 1.290 10.300 ( -9.059 0.000 0.000) 9.059 10.300 ( 9.059 0.000 0.000) 9.059 10.723 ( -2.266 0.000 0.000) 2.266 10.723 ( 2.266 0.000 0.000) 2.266 11.371 ( -4.503 0.000 0.000) 4.503 11.371 ( 4.503 0.000 0.000) 4.503 12.219 ( -25.395 0.000 0.000) 25.395 12.219 ( 25.395 0.000 0.000) 25.395 13.154 ( -29.120 0.000 0.000) 29.120 13.154 ( 29.120 0.000 0.000) 29.120 13.406 ( -40.000 0.000 0.000) 40.000 13.406 ( 40.000 0.000 0.000) 40.000 13.639 ( -27.652 0.000 0.000) 27.652 13.639 ( 27.652 0.000 0.000) 27.652 13.995 ( -7.656 0.000 0.000) 7.656 13.995 ( 7.656 0.000 0.000) 7.656 14.648 ( -11.509 0.000 0.000) 11.509 14.648 ( 11.509 0.000 0.000) 11.509 14.862 ( -13.717 0.000 0.000) 13.717 14.862 ( 13.717 0.000 0.000) 13.717 15.524 ( -20.546 0.000 0.000) 20.546 15.524 ( 20.546 0.000 0.000) 20.546 16.069 ( -8.685 0.000 0.000) 8.685 16.069 ( 8.685 0.000 0.000) 8.685 16.329 ( -7.411 0.000 0.000) 7.411 16.329 ( 7.411 0.000 0.000) 7.411 16.695 ( -6.206 0.000 0.000) 6.206 16.695 ( 6.206 0.000 0.000) 6.206 20.835 ( -29.098 0.000 0.000) 29.098 20.835 ( 29.098 0.000 0.000) 29.098 20.928 ( -10.654 0.000 0.000) 10.654 20.928 ( 10.654 0.000 0.000) 10.654 21.256 ( -31.129 0.000 0.000) 31.129 21.256 ( 31.129 0.000 0.000) 31.129 22.039 ( -0.236 0.000 0.000) 0.236 22.039 ( 0.236 0.000 0.000) 0.236 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 34.246 0.000) 34.246 0.843 ( 0.000 39.825 0.000) 39.825 1.509 ( 0.000 68.792 0.000) 68.792 3.100 ( 0.000 22.128 0.000) 22.128 3.242 ( 0.000 11.506 0.000) 11.506 3.541 ( 0.000 28.047 0.000) 28.047 4.009 ( 0.000 9.432 0.000) 9.432 4.171 ( 0.000 16.121 0.000) 16.121 4.285 ( 0.000 7.552 0.000) 7.552 4.831 ( 0.000 -8.265 0.000) 8.265 4.912 ( 0.000 -1.186 0.000) 1.186 5.100 ( 0.000 -9.421 0.000) 9.421 5.134 ( 0.000 -19.264 0.000) 19.264 5.275 ( 0.000 4.326 0.000) 4.326 5.690 ( 0.000 4.136 0.000) 4.136 6.304 ( 0.000 27.737 0.000) 27.737 6.418 ( 0.000 3.872 0.000) 3.872 6.897 ( 0.000 18.944 0.000) 18.944 7.111 ( 0.000 -0.272 0.000) 0.272 7.340 ( 0.000 12.198 0.000) 12.198 7.427 ( 0.000 -5.043 0.000) 5.043 7.564 ( 0.000 -9.266 0.000) 9.266 7.719 ( 0.000 -9.477 0.000) 9.477 8.001 ( 0.000 8.517 0.000) 8.517 8.257 ( 0.000 8.802 0.000) 8.802 8.439 ( 0.000 -12.012 0.000) 12.012 8.504 ( 0.000 9.898 0.000) 9.898 8.804 ( 0.000 -4.479 0.000) 4.479 8.951 ( 0.000 13.926 0.000) 13.926 9.035 ( 0.000 3.545 0.000) 3.545 9.135 ( 0.000 -12.797 0.000) 12.797 9.257 ( 0.000 -2.392 0.000) 2.392 9.435 ( 0.000 0.143 0.000) 0.143 9.637 ( 0.000 20.042 0.000) 20.042 9.683 ( 0.000 3.536 0.000) 3.536 10.171 ( 0.000 -3.756 0.000) 3.756 10.222 ( 0.000 5.776 0.000) 5.776 10.395 ( 0.000 -10.943 0.000) 10.943 10.768 ( 0.000 5.529 0.000) 5.529 11.050 ( 0.000 0.219 0.000) 0.219 11.154 ( 0.000 9.553 0.000) 9.553 11.173 ( 0.000 -1.178 0.000) 1.178 11.400 ( 0.000 12.606 0.000) 12.606 11.605 ( 0.000 1.860 0.000) 1.860 12.125 ( 0.000 -1.740 0.000) 1.740 12.753 ( 0.000 0.994 0.000) 0.994 13.007 ( 0.000 -0.665 0.000) 0.665 13.426 ( 0.000 4.141 0.000) 4.141 14.147 ( 0.000 -10.670 0.000) 10.670 14.276 ( 0.000 5.837 0.000) 5.837 14.324 ( 0.000 -4.804 0.000) 4.804 14.446 ( 0.000 -1.755 0.000) 1.755 14.878 ( 0.000 -4.525 0.000) 4.525 14.948 ( 0.000 -4.161 0.000) 4.161 15.489 ( 0.000 -9.973 0.000) 9.973 15.552 ( 0.000 -7.432 0.000) 7.432 15.891 ( 0.000 2.001 0.000) 2.001 16.092 ( 0.000 0.755 0.000) 0.755 16.378 ( 0.000 -8.666 0.000) 8.666 16.525 ( 0.000 -4.073 0.000) 4.073 17.112 ( 0.000 4.047 0.000) 4.047 17.568 ( 0.000 2.309 0.000) 2.309 17.738 ( 0.000 3.480 0.000) 3.480 18.227 ( 0.000 -3.204 0.000) 3.204 18.658 ( 0.000 -5.989 0.000) 5.989 19.032 ( 0.000 2.212 0.000) 2.212 19.046 ( 0.000 -0.693 0.000) 0.693 19.756 ( 0.000 -2.246 0.000) 2.246 21.143 ( 0.000 1.477 0.000) 1.477 22.019 ( 0.000 -3.369 0.000) 3.369 22.460 ( 0.000 1.540 0.000) 1.540 23.607 ( 0.000 -9.609 0.000) 9.609 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 25.280 29.843 0.000) 39.111 1.155 ( 36.832 21.200 0.000) 42.497 2.165 ( 55.767 45.961 0.000) 72.266 3.189 ( 9.109 20.127 0.000) 22.092 3.397 ( 15.214 8.275 0.000) 17.319 3.682 ( 14.592 26.202 0.000) 29.991 3.993 ( -1.771 9.582 0.000) 9.744 4.171 ( 1.385 8.613 0.000) 8.723 4.389 ( 8.686 13.322 0.000) 15.903 4.771 ( -7.368 -3.995 0.000) 8.381 5.027 ( 13.874 -4.201 0.000) 14.496 5.074 ( -5.702 -18.658 0.000) 19.510 5.177 ( 6.227 -9.887 0.000) 11.685 5.338 ( 5.075 1.486 0.000) 5.288 5.673 ( -0.981 5.387 0.000) 5.475 6.136 ( -15.419 26.118 0.000) 30.330 6.416 ( 2.413 5.343 0.000) 5.863 6.843 ( -5.456 15.779 0.000) 16.696 7.149 ( 4.380 -0.069 0.000) 4.381 7.290 ( 1.089 14.535 0.000) 14.576 7.353 ( -20.677 -3.651 0.000) 20.997 7.523 ( 8.197 -12.222 0.000) 14.716 7.943 ( 17.572 -4.156 0.000) 18.057 8.031 ( 4.014 -2.551 0.000) 4.756 8.240 ( 5.399 3.704 0.000) 6.547 8.614 ( 9.957 6.744 0.000) 12.026 8.661 ( 13.117 -2.497 0.000) 13.353 8.823 ( -0.148 -6.027 0.000) 6.029 8.954 ( -0.714 9.550 0.000) 9.577 8.983 ( 2.274 0.616 0.000) 2.356 9.289 ( 4.165 4.349 0.000) 6.022 9.310 ( 9.847 -11.933 0.000) 15.471 9.606 ( 6.699 1.236 0.000) 6.812 9.664 ( 2.473 17.628 0.000) 17.801 9.900 ( 15.466 -5.124 0.000) 16.293 10.160 ( 0.312 -3.050 0.000) 3.066 10.161 ( -6.154 7.044 0.000) 9.354 10.449 ( 6.168 -9.329 0.000) 11.184 10.732 ( -3.377 8.283 0.000) 8.945 11.079 ( 0.601 4.239 0.000) 4.281 11.124 ( -4.932 -1.623 0.000) 5.192 11.150 ( 0.539 4.088 0.000) 4.123 11.389 ( -0.973 12.716 0.000) 12.753 11.619 ( 1.755 4.024 0.000) 4.390 12.065 ( -4.493 -0.308 0.000) 4.504 12.942 ( 11.547 -0.447 0.000) 11.556 13.014 ( 5.231 -5.680 0.000) 7.722 13.386 ( -4.207 4.199 0.000) 5.944 13.965 ( -16.028 11.595 0.000) 19.783 14.068 ( -7.663 -11.241 0.000) 13.604 14.353 ( 1.534 9.458 0.000) 9.581 14.381 ( -6.408 -0.562 0.000) 6.432 14.901 ( 2.454 -4.276 0.000) 4.930 14.973 ( 1.767 -4.835 0.000) 5.147 15.448 ( -5.927 -4.542 0.000) 7.467 15.536 ( 0.305 -9.185 0.000) 9.190 15.809 ( -8.532 0.896 0.000) 8.579 15.995 ( -9.886 0.356 0.000) 9.892 16.344 ( -3.140 -7.991 0.000) 8.586 16.364 ( -11.968 -3.589 0.000) 12.495 16.596 ( -17.966 16.710 0.000) 24.536 17.456 ( -8.487 -0.924 0.000) 8.537 17.846 ( -29.710 -2.070 0.000) 29.782 18.100 ( 25.077 3.554 0.000) 25.327 18.299 ( -21.327 -3.900 0.000) 21.681 19.347 ( 25.783 1.581 0.000) 25.832 19.364 ( 21.635 -2.541 0.000) 21.784 20.975 ( 56.266 -55.340 0.000) 78.920 21.152 ( 0.876 1.452 0.000) 1.696 22.020 ( 0.127 -3.428 0.000) 3.431 22.390 ( -7.385 1.324 0.000) 7.503 23.430 ( -16.612 -5.804 0.000) 17.597 ======================= Grid point 13 (9/90) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 34.449 16.456 0.000) 38.178 1.922 ( 40.764 12.536 0.000) 42.648 3.330 ( 54.253 17.952 0.000) 57.146 3.427 ( 20.253 23.059 0.000) 30.690 3.761 ( 19.814 0.408 0.000) 19.818 3.941 ( -1.423 11.978 0.000) 12.062 4.095 ( 26.700 19.933 0.000) 33.320 4.228 ( 4.146 6.376 0.000) 7.606 4.499 ( -3.249 4.428 0.000) 5.492 4.682 ( 4.706 5.755 0.000) 7.434 4.899 ( -11.616 -16.611 0.000) 20.269 5.344 ( 8.239 3.740 0.000) 9.049 5.349 ( 11.324 -10.179 0.000) 15.226 5.433 ( 11.797 -6.902 0.000) 13.667 5.720 ( 7.736 2.118 0.000) 8.020 5.791 ( -19.263 22.902 0.000) 29.926 6.512 ( 6.019 3.405 0.000) 6.916 6.697 ( -9.466 10.232 0.000) 13.939 6.901 ( -22.380 -1.899 0.000) 22.461 7.300 ( 11.483 0.016 0.000) 11.483 7.364 ( 6.662 12.305 0.000) 13.993 7.698 ( 9.067 -12.330 0.000) 15.305 8.152 ( 7.134 -11.324 0.000) 13.384 8.166 ( -0.704 -1.453 0.000) 1.615 8.411 ( 10.116 3.993 0.000) 10.875 8.785 ( 2.419 -4.943 0.000) 5.504 8.851 ( 5.765 -11.486 0.000) 12.852 8.859 ( 5.454 -0.459 0.000) 5.473 8.896 ( -2.733 5.889 0.000) 6.492 9.088 ( 9.022 -0.532 0.000) 9.038 9.414 ( 7.346 14.966 0.000) 16.672 9.579 ( 3.988 2.528 0.000) 4.722 9.629 ( 10.489 -2.787 0.000) 10.853 9.687 ( -2.853 4.843 0.000) 5.621 10.031 ( -4.052 17.265 0.000) 17.734 10.155 ( 5.587 4.704 0.000) 7.303 10.242 ( 16.588 0.995 0.000) 16.617 10.657 ( -3.995 14.943 0.000) 15.468 10.666 ( 16.473 -4.662 0.000) 17.120 10.996 ( -7.821 -2.535 0.000) 8.221 11.008 ( -6.908 6.786 0.000) 9.684 11.205 ( 4.329 1.487 0.000) 4.577 11.369 ( -0.823 12.749 0.000) 12.775 11.708 ( 8.881 10.702 0.000) 13.907 12.004 ( -0.886 1.919 0.000) 2.113 12.968 ( 0.167 -3.750 0.000) 3.754 13.255 ( -9.619 4.276 0.000) 10.527 13.356 ( 20.718 -7.711 0.000) 22.106 13.842 ( 2.065 8.414 0.000) 8.664 13.877 ( -11.594 -13.002 0.000) 17.421 14.229 ( -8.420 2.511 0.000) 8.786 14.391 ( 2.371 8.847 0.000) 9.159 14.969 ( 4.478 -3.565 0.000) 5.724 14.975 ( -2.488 -5.809 0.000) 6.319 15.279 ( -10.789 1.136 0.000) 10.849 15.531 ( -7.459 -6.125 0.000) 9.652 15.559 ( -15.223 -0.674 0.000) 15.238 15.757 ( -10.387 -2.130 0.000) 10.603 16.178 ( -6.909 -4.983 0.000) 8.519 16.275 ( -3.855 -7.679 0.000) 8.593 16.438 ( -2.480 5.325 0.000) 5.874 17.252 ( -12.442 -2.387 0.000) 12.669 17.255 ( -29.966 -2.161 0.000) 30.044 17.706 ( -30.818 -3.484 0.000) 31.015 18.799 ( 36.946 1.332 0.000) 36.970 19.777 ( 21.138 -3.462 0.000) 21.419 19.850 ( 25.225 0.309 0.000) 25.227 21.168 ( 0.522 1.413 0.000) 1.507 21.589 ( 15.128 -37.005 0.000) 39.978 22.020 ( -0.237 -3.651 0.000) 3.659 22.177 ( -14.438 0.773 0.000) 14.459 23.020 ( -25.075 -3.622 0.000) 25.335 ======================= Grid point 14 (10/90) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 36.457 8.635 0.000) 37.466 2.685 ( 37.988 7.644 0.000) 38.749 3.679 ( 12.209 10.017 0.000) 15.792 3.819 ( 0.104 6.974 0.000) 6.975 3.969 ( -1.490 0.025 0.000) 1.491 4.314 ( -0.163 5.492 0.000) 5.495 4.447 ( 36.303 17.201 0.000) 40.172 4.468 ( 9.029 -6.128 0.000) 10.912 4.649 ( -5.877 -3.535 0.000) 6.858 4.756 ( 36.456 5.583 0.000) 36.881 4.800 ( 1.692 8.100 0.000) 8.275 5.331 ( -2.597 5.590 0.000) 6.163 5.405 ( -18.379 19.228 0.000) 26.599 5.644 ( 19.762 -10.942 0.000) 22.589 5.686 ( 7.645 3.244 0.000) 8.305 5.985 ( 15.709 -13.956 0.000) 21.013 6.521 ( -5.666 2.923 0.000) 6.376 6.584 ( 0.299 3.519 0.000) 3.532 6.659 ( 1.507 1.392 0.000) 2.052 7.560 ( 13.442 8.809 0.000) 16.071 7.580 ( 16.805 -0.048 0.000) 16.806 7.787 ( -6.314 -10.726 0.000) 12.447 8.034 ( -3.387 -1.926 0.000) 3.897 8.243 ( 0.747 -16.443 0.000) 16.460 8.554 ( 1.438 -0.968 0.000) 1.733 8.624 ( -15.151 -20.373 0.000) 25.389 8.724 ( -9.399 3.789 0.000) 10.134 8.970 ( 2.312 -4.243 0.000) 4.831 9.028 ( 7.914 8.045 0.000) 11.285 9.258 ( 6.905 2.246 0.000) 7.261 9.368 ( -14.185 5.494 0.000) 15.212 9.493 ( -9.750 2.432 0.000) 10.049 9.561 ( 4.456 15.486 0.000) 16.114 10.029 ( 7.576 1.335 0.000) 7.693 10.087 ( 7.762 21.864 0.000) 23.201 10.287 ( 19.380 8.328 0.000) 21.094 10.579 ( -4.282 18.646 0.000) 19.132 10.624 ( 13.883 8.549 0.000) 16.305 10.814 ( -9.086 1.360 0.000) 9.187 10.855 ( -5.841 0.018 0.000) 5.841 11.103 ( 25.945 6.535 0.000) 26.755 11.322 ( 8.217 -1.048 0.000) 8.284 11.368 ( 0.838 12.069 0.000) 12.098 11.998 ( 18.924 13.770 0.000) 23.404 12.100 ( 16.414 2.856 0.000) 16.661 13.015 ( -15.183 4.064 0.000) 15.717 13.020 ( 6.083 -6.046 0.000) 8.576 13.639 ( -12.984 -14.357 0.000) 19.357 13.711 ( 14.319 -2.978 0.000) 14.626 14.024 ( 17.196 0.438 0.000) 17.202 14.082 ( -6.626 5.057 0.000) 8.335 14.440 ( 2.659 6.697 0.000) 7.206 14.831 ( -15.226 -4.603 0.000) 15.906 14.988 ( -21.815 4.856 0.000) 22.349 15.070 ( 6.062 -2.629 0.000) 6.607 15.186 ( -19.807 -2.490 0.000) 19.963 15.234 ( -16.413 -0.683 0.000) 16.427 15.749 ( 4.637 -6.847 0.000) 8.270 16.067 ( -5.939 -5.251 0.000) 7.927 16.206 ( -2.769 -7.259 0.000) 7.769 16.419 ( -1.677 0.986 0.000) 1.946 16.746 ( -20.778 -3.086 0.000) 21.006 16.975 ( -18.769 -6.128 0.000) 19.744 17.129 ( -25.141 -0.724 0.000) 25.151 19.514 ( 36.587 -1.227 0.000) 36.608 20.187 ( 21.830 -4.456 0.000) 22.280 20.297 ( 20.862 -0.734 0.000) 20.875 21.162 ( -1.458 1.466 0.000) 2.068 21.705 ( -4.909 -17.821 0.000) 18.485 21.870 ( -13.663 -6.431 0.000) 15.101 22.009 ( -0.920 -4.146 0.000) 4.247 22.498 ( -27.957 -1.845 0.000) 28.018 ======================= Grid point 15 (11/90) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 34.692 4.574 0.000) 34.993 3.360 ( 31.098 2.081 0.000) 31.167 3.721 ( -0.959 0.133 0.000) 0.968 3.838 ( -8.667 4.668 0.000) 9.844 4.027 ( 14.895 13.529 0.000) 20.122 4.217 ( -9.813 4.194 0.000) 10.672 4.388 ( -12.529 -9.067 0.000) 15.466 4.617 ( 0.702 -2.888 0.000) 2.972 4.701 ( -10.479 4.721 0.000) 11.494 4.895 ( -4.414 12.081 0.000) 12.862 5.141 ( 9.907 14.556 0.000) 17.607 5.286 ( 1.416 -3.354 0.000) 3.641 5.417 ( 18.812 -3.821 0.000) 19.196 5.890 ( 12.142 3.298 0.000) 12.582 6.043 ( -6.622 2.357 0.000) 7.029 6.253 ( 36.453 -5.866 0.000) 36.922 6.536 ( 0.534 6.572 0.000) 6.593 6.615 ( 15.328 -9.263 0.000) 17.910 6.981 ( 25.844 -5.040 0.000) 26.331 7.447 ( -22.813 -7.181 0.000) 23.916 7.835 ( 12.853 0.989 0.000) 12.891 7.869 ( 6.939 -4.128 0.000) 8.074 8.100 ( 3.139 -4.552 0.000) 5.529 8.121 ( -14.728 -12.505 0.000) 19.321 8.247 ( -20.482 -17.904 0.000) 27.204 8.336 ( -11.845 -0.736 0.000) 11.868 8.683 ( 1.314 1.331 0.000) 1.871 8.992 ( 1.854 -1.337 0.000) 2.286 9.062 ( -16.326 5.547 0.000) 17.243 9.147 ( 1.744 12.208 0.000) 12.332 9.324 ( -3.460 5.056 0.000) 6.126 9.359 ( 2.661 7.234 0.000) 7.708 9.723 ( 10.392 13.255 0.000) 16.844 10.023 ( -3.288 5.011 0.000) 5.993 10.255 ( 8.261 16.330 0.000) 18.301 10.505 ( -2.048 15.721 0.000) 15.854 10.532 ( -6.898 11.393 0.000) 13.318 10.601 ( 0.315 15.220 0.000) 15.224 10.794 ( -0.652 8.666 0.000) 8.691 10.807 ( 2.104 4.724 0.000) 5.171 11.400 ( 2.286 10.248 0.000) 10.499 11.445 ( 2.859 1.509 0.000) 3.233 11.693 ( 32.620 5.861 0.000) 33.142 12.410 ( 27.285 -3.235 0.000) 27.476 12.681 ( -19.349 3.741 0.000) 19.707 12.716 ( 41.090 8.554 0.000) 41.971 13.229 ( 16.124 -2.583 0.000) 16.329 13.362 ( -16.606 -14.683 0.000) 22.167 13.920 ( 8.489 2.294 0.000) 8.794 13.956 ( -8.046 5.002 0.000) 9.474 14.307 ( -35.540 2.081 0.000) 35.601 14.438 ( 22.746 -4.508 0.000) 23.189 14.473 ( -29.885 5.888 0.000) 30.460 14.503 ( 4.756 3.300 0.000) 5.788 14.852 ( -13.295 -3.553 0.000) 13.762 15.027 ( -8.929 -2.523 0.000) 9.279 15.216 ( 9.933 -1.830 0.000) 10.100 15.833 ( -2.581 -6.328 0.000) 6.834 15.908 ( -5.953 -3.612 0.000) 6.964 16.185 ( 0.833 -6.826 0.000) 6.876 16.245 ( -13.726 -2.913 0.000) 14.032 16.517 ( -21.185 -7.153 0.000) 22.360 16.588 ( 1.760 -2.244 0.000) 2.852 16.833 ( -10.314 -1.126 0.000) 10.375 20.187 ( 32.752 -3.585 0.000) 32.947 20.636 ( 25.306 -5.885 0.000) 25.981 20.642 ( 14.536 -2.484 0.000) 14.746 21.104 ( -4.657 2.021 0.000) 5.076 21.360 ( -23.367 0.025 0.000) 23.367 21.665 ( -18.559 -16.212 0.000) 24.643 21.988 ( -1.093 -4.966 0.000) 5.085 22.059 ( -12.339 -1.837 0.000) 12.475 ======================= Grid point 16 (12/90) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( -18.392 6.198 0.000) 19.408 3.632 ( 18.392 6.198 0.000) 19.408 3.737 ( -0.597 -7.056 0.000) 7.081 3.737 ( 0.597 -7.056 0.000) 7.081 4.061 ( -6.755 6.630 0.000) 9.465 4.061 ( 6.755 6.630 0.000) 9.465 4.403 ( -15.107 8.853 0.000) 17.510 4.403 ( 15.107 8.853 0.000) 17.510 4.689 ( -7.639 1.906 0.000) 7.873 4.689 ( 7.639 1.906 0.000) 7.873 5.333 ( -1.750 0.038 0.000) 1.751 5.333 ( 1.750 0.038 0.000) 1.751 5.726 ( -16.112 -4.639 0.000) 16.766 5.726 ( 16.112 -4.639 0.000) 16.766 6.241 ( -14.569 8.679 0.000) 16.958 6.241 ( 14.569 8.679 0.000) 16.958 6.987 ( -19.802 -9.239 0.000) 21.851 6.987 ( 19.802 -9.239 0.000) 21.851 7.168 ( -27.262 -6.358 0.000) 27.994 7.168 ( 27.262 -6.358 0.000) 27.994 7.744 ( -16.121 -9.095 0.000) 18.509 7.744 ( 16.121 -9.095 0.000) 18.509 8.018 ( -5.163 -10.625 0.000) 11.812 8.018 ( 5.163 -10.625 0.000) 11.812 8.249 ( -3.452 1.698 0.000) 3.847 8.249 ( 3.452 1.698 0.000) 3.847 8.779 ( -10.863 3.121 0.000) 11.303 8.779 ( 10.863 3.121 0.000) 11.303 9.070 ( -5.813 4.658 0.000) 7.449 9.070 ( 5.813 4.658 0.000) 7.449 9.357 ( -2.671 11.057 0.000) 11.375 9.357 ( 2.671 11.057 0.000) 11.375 9.917 ( -8.312 6.057 0.000) 10.284 9.917 ( 8.312 6.057 0.000) 10.284 10.372 ( -5.751 10.888 0.000) 12.313 10.372 ( 5.751 10.888 0.000) 12.313 10.552 ( -5.445 18.574 0.000) 19.355 10.552 ( 5.445 18.574 0.000) 19.355 10.806 ( -1.190 10.322 0.000) 10.390 10.806 ( 1.190 10.322 0.000) 10.390 11.444 ( -1.844 6.791 0.000) 7.037 11.444 ( 1.844 6.791 0.000) 7.037 12.259 ( -25.207 3.822 0.000) 25.495 12.259 ( 25.207 3.822 0.000) 25.495 12.958 ( -26.137 -12.145 0.000) 28.820 12.958 ( 26.137 -12.145 0.000) 28.820 13.545 ( -42.647 3.997 0.000) 42.834 13.545 ( 42.647 3.997 0.000) 42.834 13.637 ( -24.500 3.616 0.000) 24.766 13.637 ( 24.500 3.616 0.000) 24.766 14.073 ( -9.811 6.771 0.000) 11.921 14.073 ( 9.811 6.771 0.000) 11.921 14.633 ( -9.367 -1.356 0.000) 9.465 14.633 ( 9.367 -1.356 0.000) 9.465 14.817 ( -14.630 -4.317 0.000) 15.253 14.817 ( 14.630 -4.317 0.000) 15.253 15.499 ( -19.712 -2.219 0.000) 19.837 15.499 ( 19.712 -2.219 0.000) 19.837 16.017 ( -9.337 -4.957 0.000) 10.571 16.017 ( 9.337 -4.957 0.000) 10.571 16.258 ( -7.184 -6.783 0.000) 9.881 16.258 ( 7.184 -6.783 0.000) 9.881 16.674 ( -6.442 -1.995 0.000) 6.743 16.674 ( 6.442 -1.995 0.000) 6.743 20.720 ( -16.921 -7.497 0.000) 18.508 20.720 ( 16.921 -7.497 0.000) 18.508 21.019 ( -1.465 5.245 0.000) 5.446 21.019 ( 1.465 5.245 0.000) 5.446 21.164 ( -28.807 -8.490 0.000) 30.032 21.164 ( 28.807 -8.490 0.000) 30.032 21.977 ( -0.351 -5.568 0.000) 5.579 21.977 ( 0.351 -5.568 0.000) 5.579 ======================= Grid point 22 (13/90) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.000 35.481 0.000) 35.481 1.663 ( 0.000 38.166 0.000) 38.166 2.793 ( 0.000 50.694 0.000) 50.694 3.614 ( 0.000 22.256 0.000) 22.256 3.735 ( 0.000 37.530 0.000) 37.530 4.275 ( 0.000 37.380 0.000) 37.380 4.289 ( 0.000 16.853 0.000) 16.853 4.450 ( 0.000 5.899 0.000) 5.899 4.541 ( 0.000 17.393 0.000) 17.393 4.563 ( 0.000 -16.927 0.000) 16.927 4.775 ( 0.000 -14.499 0.000) 14.499 4.852 ( 0.000 -11.477 0.000) 11.477 4.935 ( 0.000 4.757 0.000) 4.757 5.397 ( 0.000 7.329 0.000) 7.329 5.815 ( 0.000 7.644 0.000) 7.644 6.522 ( 0.000 4.887 0.000) 4.887 6.897 ( 0.000 25.713 0.000) 25.713 7.048 ( 0.000 -6.892 0.000) 6.892 7.269 ( 0.000 13.857 0.000) 13.857 7.284 ( 0.000 -6.549 0.000) 6.549 7.391 ( 0.000 -7.519 0.000) 7.519 7.434 ( 0.000 -1.426 0.000) 1.426 7.798 ( 0.000 17.659 0.000) 17.659 8.068 ( 0.000 -14.866 0.000) 14.866 8.320 ( 0.000 11.302 0.000) 11.302 8.444 ( 0.000 8.722 0.000) 8.722 8.614 ( 0.000 -16.206 0.000) 16.206 8.726 ( 0.000 10.664 0.000) 10.664 8.854 ( 0.000 -11.497 0.000) 11.497 9.154 ( 0.000 7.857 0.000) 7.857 9.190 ( 0.000 -3.911 0.000) 3.911 9.353 ( 0.000 23.555 0.000) 23.555 9.368 ( 0.000 -6.066 0.000) 6.066 9.776 ( 0.000 4.086 0.000) 4.086 9.915 ( 0.000 0.177 0.000) 0.177 10.038 ( 0.000 -9.191 0.000) 9.191 10.093 ( 0.000 -16.468 0.000) 16.468 10.623 ( 0.000 37.436 0.000) 37.436 11.057 ( 0.000 0.577 0.000) 0.577 11.063 ( 0.000 24.291 0.000) 24.291 11.139 ( 0.000 -2.622 0.000) 2.622 11.246 ( 0.000 -1.503 0.000) 1.503 11.738 ( 0.000 18.939 0.000) 18.939 11.784 ( 0.000 13.035 0.000) 13.035 12.074 ( 0.000 -2.995 0.000) 2.995 12.829 ( 0.000 7.498 0.000) 7.498 13.020 ( 0.000 3.194 0.000) 3.194 13.547 ( 0.000 6.898 0.000) 6.898 13.857 ( 0.000 -15.848 0.000) 15.848 14.173 ( 0.000 -9.579 0.000) 9.579 14.372 ( 0.000 -6.018 0.000) 6.018 14.442 ( 0.000 9.598 0.000) 9.598 14.734 ( 0.000 -9.125 0.000) 9.125 14.849 ( 0.000 -5.385 0.000) 5.385 15.183 ( 0.000 -18.768 0.000) 18.768 15.301 ( 0.000 -15.940 0.000) 15.940 15.947 ( 0.000 3.237 0.000) 3.237 16.065 ( 0.000 -4.348 0.000) 4.348 16.126 ( 0.000 -14.934 0.000) 14.934 16.425 ( 0.000 -4.955 0.000) 4.955 17.223 ( 0.000 6.404 0.000) 6.404 17.636 ( 0.000 4.165 0.000) 4.165 17.863 ( 0.000 8.734 0.000) 8.734 18.127 ( 0.000 -6.256 0.000) 6.256 18.491 ( 0.000 -9.380 0.000) 9.380 19.010 ( 0.000 -3.107 0.000) 3.107 19.098 ( 0.000 3.968 0.000) 3.968 19.685 ( 0.000 -4.469 0.000) 4.469 21.192 ( 0.000 3.235 0.000) 3.235 21.916 ( 0.000 -6.305 0.000) 6.305 22.507 ( 0.000 2.838 0.000) 2.838 23.349 ( 0.000 -13.949 0.000) 13.949 ======================= Grid point 23 (14/90) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 24.529 29.535 0.000) 38.392 1.817 ( 14.999 36.198 0.000) 39.182 3.096 ( 28.112 37.753 0.000) 47.070 3.676 ( 6.032 16.933 0.000) 17.976 3.788 ( 5.655 34.716 0.000) 35.174 4.300 ( 1.722 20.093 0.000) 20.166 4.358 ( 8.220 32.725 0.000) 33.742 4.405 ( -0.980 10.896 0.000) 10.940 4.591 ( 2.165 -8.991 0.000) 9.248 4.675 ( 7.831 8.000 0.000) 11.195 4.733 ( -3.013 -12.621 0.000) 12.976 4.935 ( 6.872 -9.877 0.000) 12.032 4.970 ( 6.369 1.296 0.000) 6.500 5.411 ( 1.355 5.700 0.000) 5.859 5.799 ( -1.542 6.491 0.000) 6.671 6.490 ( -5.103 4.603 0.000) 6.872 6.721 ( -12.902 24.608 0.000) 27.785 6.997 ( -5.462 -6.993 0.000) 8.873 7.229 ( -2.278 8.576 0.000) 8.873 7.252 ( 5.227 -12.561 0.000) 13.605 7.316 ( -16.218 1.945 0.000) 16.334 7.603 ( 6.815 8.698 0.000) 11.050 7.885 ( 12.450 4.393 0.000) 13.202 7.904 ( -3.411 -8.628 0.000) 9.278 8.393 ( 6.753 9.795 0.000) 11.897 8.576 ( -4.346 -17.338 0.000) 17.874 8.687 ( 15.253 4.486 0.000) 15.899 8.763 ( 4.024 5.234 0.000) 6.602 8.969 ( -3.098 -2.196 0.000) 3.798 9.114 ( -5.228 2.940 0.000) 5.998 9.117 ( 16.762 -3.736 0.000) 17.173 9.487 ( 10.684 15.679 0.000) 18.973 9.641 ( 14.339 2.440 0.000) 14.545 9.864 ( -5.206 -0.295 0.000) 5.214 9.892 ( 10.958 0.647 0.000) 10.977 10.055 ( 4.812 -7.087 0.000) 8.566 10.192 ( 10.760 -13.624 0.000) 17.361 10.635 ( 1.421 39.337 0.000) 39.363 11.062 ( -1.866 11.322 0.000) 11.475 11.111 ( -0.984 12.907 0.000) 12.945 11.116 ( 5.750 0.649 0.000) 5.787 11.209 ( -3.202 -0.619 0.000) 3.261 11.726 ( -1.143 18.681 0.000) 18.716 11.808 ( 3.031 10.736 0.000) 11.156 12.093 ( 2.071 4.074 0.000) 4.571 12.930 ( 7.478 0.721 0.000) 7.513 13.014 ( 1.616 5.726 0.000) 5.950 13.504 ( -4.489 6.337 0.000) 7.766 13.778 ( -7.849 -15.331 0.000) 17.223 14.023 ( -9.845 -3.338 0.000) 10.395 14.333 ( -3.816 -4.270 0.000) 5.727 14.532 ( 5.252 8.008 0.000) 9.576 14.766 ( 3.264 -8.612 0.000) 9.210 14.855 ( 0.143 -6.399 0.000) 6.401 15.217 ( 3.358 -18.292 0.000) 18.598 15.278 ( -2.344 -14.274 0.000) 14.465 15.856 ( -9.284 3.528 0.000) 9.932 15.955 ( -10.957 -5.106 0.000) 12.088 16.102 ( -2.391 -14.646 0.000) 14.840 16.293 ( -11.249 -2.579 0.000) 11.541 16.896 ( -22.684 11.804 0.000) 25.572 17.443 ( -12.277 0.096 0.000) 12.278 17.778 ( -28.639 -4.417 0.000) 28.977 18.136 ( -18.902 -4.881 0.000) 19.522 18.260 ( 21.376 5.188 0.000) 21.997 19.285 ( 20.039 -5.059 0.000) 20.668 19.388 ( 23.625 2.316 0.000) 23.738 20.219 ( 39.791 -22.444 0.000) 45.685 21.200 ( 0.790 3.171 0.000) 3.268 21.917 ( -0.009 -6.343 0.000) 6.343 22.429 ( -8.054 2.421 0.000) 8.410 23.216 ( -13.344 -12.722 0.000) 18.436 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 23.013 29.267 0.000) 37.231 2.277 ( 32.882 20.632 0.000) 38.819 3.649 ( 22.440 15.104 0.000) 27.050 3.824 ( 8.718 5.765 0.000) 10.452 3.917 ( 5.081 17.680 0.000) 18.396 4.436 ( 2.494 8.298 0.000) 8.665 4.471 ( 21.548 34.454 0.000) 40.638 4.491 ( -0.302 0.204 0.000) 0.364 4.509 ( -7.922 -0.284 0.000) 7.927 4.750 ( 10.188 16.166 0.000) 19.109 4.866 ( 10.435 10.593 0.000) 14.869 5.103 ( 11.060 -8.153 0.000) 13.740 5.226 ( 18.713 -9.717 0.000) 21.085 5.439 ( 0.958 3.287 0.000) 3.424 5.762 ( -2.067 2.154 0.000) 2.986 6.201 ( -21.642 12.596 0.000) 25.041 6.646 ( 2.215 11.273 0.000) 11.489 6.808 ( -16.354 -6.110 0.000) 17.458 6.904 ( -16.479 3.281 0.000) 16.802 7.282 ( 6.638 0.656 0.000) 6.670 7.407 ( 8.888 -13.584 0.000) 16.234 7.677 ( 4.036 13.560 0.000) 14.148 7.955 ( 4.748 -5.528 0.000) 7.287 8.080 ( 0.382 -5.442 0.000) 5.456 8.443 ( -9.716 -18.542 0.000) 20.933 8.531 ( 6.151 6.535 0.000) 8.974 8.816 ( 4.789 1.012 0.000) 4.895 8.922 ( 5.903 5.989 0.000) 8.409 9.032 ( 0.220 5.062 0.000) 5.067 9.042 ( 10.250 -4.264 0.000) 11.102 9.568 ( 27.246 1.190 0.000) 27.272 9.647 ( -9.123 -0.586 0.000) 9.142 9.684 ( 5.256 4.748 0.000) 7.083 9.736 ( -4.141 8.302 0.000) 9.278 10.216 ( 9.333 -0.233 0.000) 9.336 10.282 ( 25.599 3.222 0.000) 25.801 10.521 ( 22.983 -7.626 0.000) 24.215 10.681 ( 3.118 41.214 0.000) 41.331 10.949 ( -8.057 -1.817 0.000) 8.259 11.105 ( -4.532 1.942 0.000) 4.931 11.153 ( 4.020 32.398 0.000) 32.646 11.303 ( 10.627 5.873 0.000) 12.142 11.702 ( -1.163 18.114 0.000) 18.151 11.931 ( 10.343 6.987 0.000) 12.482 12.169 ( 6.511 16.444 0.000) 17.686 12.910 ( -4.034 -0.761 0.000) 4.105 13.263 ( 18.578 -0.496 0.000) 18.585 13.363 ( -10.573 4.224 0.000) 11.386 13.582 ( -11.591 -13.330 0.000) 17.665 13.909 ( -1.135 -1.624 0.000) 1.981 14.239 ( -5.413 -1.259 0.000) 5.558 14.599 ( 1.852 9.729 0.000) 9.903 14.833 ( -2.923 -7.279 0.000) 7.844 14.855 ( 5.872 -7.293 0.000) 9.363 15.203 ( -5.230 -11.886 0.000) 12.986 15.290 ( 1.750 -14.363 0.000) 14.469 15.596 ( -17.276 4.419 0.000) 17.832 15.687 ( -15.005 -5.871 0.000) 16.113 16.043 ( -3.435 -14.168 0.000) 14.578 16.074 ( -10.224 -3.445 0.000) 10.789 16.571 ( -10.628 6.825 0.000) 12.631 17.182 ( -15.325 -3.921 0.000) 15.819 17.190 ( -30.572 -3.949 0.000) 30.826 17.604 ( -29.456 -6.072 0.000) 30.075 18.850 ( 32.939 3.672 0.000) 33.143 19.673 ( 19.918 -6.351 0.000) 20.906 19.858 ( 23.722 0.472 0.000) 23.727 20.862 ( 24.848 -29.674 0.000) 38.703 21.215 ( 0.441 3.030 0.000) 3.062 21.912 ( -0.633 -6.532 0.000) 6.562 22.200 ( -15.588 1.439 0.000) 15.654 22.862 ( -22.540 -10.277 0.000) 24.772 ======================= Grid point 25 (16/90) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 27.120 19.499 0.000) 33.403 2.905 ( 31.062 12.949 0.000) 33.653 3.817 ( -2.869 4.633 0.000) 5.449 3.981 ( 5.945 1.523 0.000) 6.137 4.056 ( 12.172 12.378 0.000) 17.360 4.313 ( -7.413 -2.875 0.000) 7.951 4.378 ( -8.047 -8.205 0.000) 11.493 4.508 ( 1.155 5.046 0.000) 5.176 4.988 ( 21.065 6.552 0.000) 22.060 5.010 ( 2.571 10.952 0.000) 11.249 5.068 ( 17.465 24.386 0.000) 29.995 5.360 ( -9.562 -1.430 0.000) 9.669 5.466 ( 29.476 4.774 0.000) 29.860 5.647 ( 19.686 -15.485 0.000) 25.047 5.754 ( 6.054 1.463 0.000) 6.228 5.769 ( -19.516 13.827 0.000) 23.918 6.561 ( -5.212 -4.556 0.000) 6.922 6.683 ( 0.441 6.242 0.000) 6.258 6.708 ( -4.189 6.547 0.000) 7.773 7.460 ( 10.467 -10.348 0.000) 14.719 7.515 ( -0.792 -11.871 0.000) 11.898 7.742 ( -2.707 -1.777 0.000) 3.238 7.988 ( 0.233 2.078 0.000) 2.091 8.005 ( -0.746 -6.006 0.000) 6.052 8.212 ( -13.029 -14.538 0.000) 19.522 8.582 ( -2.035 4.160 0.000) 4.631 8.839 ( -7.074 6.418 0.000) 9.552 8.906 ( 2.943 -1.954 0.000) 3.533 9.216 ( 12.538 8.306 0.000) 15.040 9.280 ( 12.160 -0.554 0.000) 12.173 9.419 ( -13.092 -0.676 0.000) 13.109 9.563 ( -7.485 5.707 0.000) 9.413 9.841 ( 5.182 10.168 0.000) 11.412 10.036 ( 13.886 -0.403 0.000) 13.892 10.442 ( 19.024 4.688 0.000) 19.593 10.693 ( -5.338 16.995 0.000) 17.814 10.701 ( 13.161 0.672 0.000) 13.178 10.845 ( 1.501 23.496 0.000) 23.544 10.907 ( 8.464 2.725 0.000) 8.892 11.218 ( 25.447 9.179 0.000) 27.051 11.237 ( 3.972 35.468 0.000) 35.689 11.508 ( 10.630 14.395 0.000) 17.894 11.688 ( -0.164 17.659 0.000) 17.660 12.182 ( 13.974 6.478 0.000) 15.402 12.391 ( 17.998 22.222 0.000) 28.597 12.897 ( 5.689 -4.277 0.000) 7.117 13.099 ( -16.211 0.861 0.000) 16.234 13.353 ( -12.306 -9.560 0.000) 15.584 13.642 ( 19.323 -2.983 0.000) 19.552 13.987 ( 9.722 -4.531 0.000) 10.726 14.136 ( -5.514 0.278 0.000) 5.521 14.613 ( -0.135 9.120 0.000) 9.121 14.718 ( -10.040 -5.801 0.000) 11.596 14.986 ( 7.690 -5.452 0.000) 9.427 15.058 ( -13.638 -4.340 0.000) 14.312 15.106 ( -17.177 -5.206 0.000) 17.949 15.208 ( -22.567 1.471 0.000) 22.615 15.564 ( 3.314 -9.725 0.000) 10.274 15.919 ( -6.381 -7.671 0.000) 9.978 15.984 ( -2.231 -13.735 0.000) 13.915 16.439 ( -6.198 0.674 0.000) 6.235 16.659 ( -21.838 -4.909 0.000) 22.383 16.813 ( -24.520 -8.598 0.000) 25.984 17.088 ( -21.305 -3.374 0.000) 21.571 19.487 ( 32.748 -0.985 0.000) 32.762 20.057 ( 20.270 -7.677 0.000) 21.675 20.275 ( 19.091 -1.292 0.000) 19.135 21.186 ( 9.542 -25.837 0.000) 27.542 21.208 ( -1.297 2.957 0.000) 3.229 21.842 ( -21.078 0.356 0.000) 21.081 21.889 ( -1.731 -7.032 0.000) 7.242 22.388 ( -25.360 -7.816 0.000) 26.537 ======================= Grid point 26 (17/90) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 28.325 9.666 0.000) 29.929 3.416 ( 20.052 3.351 0.000) 20.330 3.740 ( -3.121 1.594 0.000) 3.505 3.968 ( -5.679 7.455 0.000) 9.372 4.203 ( -4.923 -7.763 0.000) 9.193 4.308 ( 1.559 2.559 0.000) 2.996 4.332 ( 11.352 13.885 0.000) 17.935 4.452 ( -3.689 -8.451 0.000) 9.221 4.906 ( -12.601 9.642 0.000) 15.867 5.160 ( -12.278 9.319 0.000) 15.414 5.181 ( -2.378 -6.345 0.000) 6.775 5.227 ( -1.590 -13.903 0.000) 13.994 5.490 ( 10.694 17.783 0.000) 20.751 5.827 ( 2.900 -3.275 0.000) 4.375 6.134 ( 23.668 -3.277 0.000) 23.893 6.257 ( 35.682 7.913 0.000) 36.549 6.500 ( 0.641 1.726 0.000) 1.842 6.677 ( 2.084 6.134 0.000) 6.478 6.850 ( 15.602 -5.484 0.000) 16.538 7.248 ( -23.233 -10.287 0.000) 25.409 7.626 ( 5.408 -17.067 0.000) 17.903 7.678 ( -2.104 -15.435 0.000) 15.578 7.860 ( -15.968 -13.009 0.000) 20.596 7.867 ( -15.051 -8.446 0.000) 17.259 8.234 ( 12.770 12.262 0.000) 17.704 8.486 ( -3.794 11.007 0.000) 11.643 8.758 ( -1.446 5.453 0.000) 5.642 8.933 ( -1.654 -2.785 0.000) 3.239 9.186 ( -7.080 4.207 0.000) 8.236 9.405 ( -5.822 11.208 0.000) 12.630 9.451 ( 6.957 6.609 0.000) 9.595 9.477 ( 7.278 3.889 0.000) 8.252 9.920 ( 3.796 6.362 0.000) 7.408 10.100 ( -2.634 2.067 0.000) 3.348 10.564 ( -5.157 3.776 0.000) 6.392 10.610 ( -4.096 -3.394 0.000) 5.320 10.948 ( 6.782 34.851 0.000) 35.505 10.990 ( 16.176 19.064 0.000) 25.001 11.075 ( 9.119 15.730 0.000) 18.182 11.284 ( 0.657 33.820 0.000) 33.826 11.563 ( 5.899 12.010 0.000) 13.380 11.686 ( -0.613 16.582 0.000) 16.594 11.890 ( 28.161 12.655 0.000) 30.874 12.448 ( 14.854 8.057 0.000) 16.899 12.764 ( -18.403 1.975 0.000) 18.509 12.871 ( 31.002 5.222 0.000) 31.439 13.093 ( -15.052 -7.696 0.000) 16.905 13.209 ( 26.063 2.560 0.000) 26.188 13.956 ( 13.820 0.323 0.000) 13.824 13.977 ( -14.069 -2.532 0.000) 14.295 14.296 ( 20.727 -8.992 0.000) 22.594 14.380 ( -25.372 4.092 0.000) 25.700 14.600 ( -0.864 5.896 0.000) 5.959 14.633 ( -26.266 7.423 0.000) 27.295 14.746 ( -13.573 -5.645 0.000) 14.700 14.940 ( -10.504 -6.210 0.000) 12.202 15.161 ( 11.127 -3.375 0.000) 11.627 15.674 ( 6.070 -8.339 0.000) 10.314 15.774 ( -9.934 -8.510 0.000) 13.080 15.972 ( 1.196 -13.428 0.000) 13.481 16.155 ( -17.780 -5.299 0.000) 18.553 16.315 ( -22.577 -11.370 0.000) 25.279 16.521 ( 1.846 -4.207 0.000) 4.594 16.784 ( -11.837 -3.864 0.000) 12.451 20.092 ( 29.374 -5.002 0.000) 29.797 20.468 ( 22.734 -9.665 0.000) 24.703 20.571 ( 10.461 -4.098 0.000) 11.235 21.162 ( -3.334 3.406 0.000) 4.766 21.219 ( -7.381 -18.455 0.000) 19.876 21.420 ( -21.451 -0.631 0.000) 21.460 21.849 ( -2.178 -7.886 0.000) 8.181 21.964 ( -15.719 -6.598 0.000) 17.048 ======================= Grid point 27 (18/90) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( -1.834 -3.525 0.000) 3.973 3.611 ( 1.834 -3.525 0.000) 3.973 3.795 ( -13.724 7.706 0.000) 15.740 3.795 ( 13.724 7.706 0.000) 15.740 4.146 ( -3.637 0.079 0.000) 3.638 4.146 ( 3.637 0.079 0.000) 3.638 4.547 ( -5.133 5.562 0.000) 7.569 4.547 ( 5.133 5.562 0.000) 7.569 4.789 ( -12.598 5.168 0.000) 13.617 4.789 ( 12.598 5.168 0.000) 13.617 5.215 ( -2.801 -10.185 0.000) 10.563 5.215 ( 2.801 -10.185 0.000) 10.563 5.738 ( -10.751 5.870 0.000) 12.249 5.738 ( 10.751 5.870 0.000) 12.249 6.458 ( -6.586 10.865 0.000) 12.706 6.458 ( 6.586 10.865 0.000) 12.705 6.728 ( -21.751 -14.330 0.000) 26.047 6.728 ( 21.751 -14.330 0.000) 26.047 7.029 ( -9.014 -5.471 0.000) 10.544 7.029 ( 9.014 -5.471 0.000) 10.544 7.562 ( -0.331 -7.711 0.000) 7.718 7.562 ( 0.331 -7.711 0.000) 7.718 7.702 ( -1.413 -15.576 0.000) 15.640 7.702 ( 1.413 -15.576 0.000) 15.640 8.432 ( -5.762 12.244 0.000) 13.532 8.432 ( 5.762 12.244 0.000) 13.532 8.804 ( -7.197 0.863 0.000) 7.249 8.804 ( 7.197 0.863 0.000) 7.249 9.233 ( -8.569 8.394 0.000) 11.996 9.233 ( 8.569 8.394 0.000) 11.996 9.549 ( -0.464 6.905 0.000) 6.920 9.549 ( 0.464 6.905 0.000) 6.920 10.011 ( -5.551 3.457 0.000) 6.539 10.011 ( 5.551 3.457 0.000) 6.539 10.533 ( -1.901 1.599 0.000) 2.484 10.533 ( 1.901 1.599 0.000) 2.484 11.060 ( -3.504 29.108 0.000) 29.318 11.060 ( 3.504 29.108 0.000) 29.318 11.250 ( -4.954 28.762 0.000) 29.185 11.250 ( 4.954 28.762 0.000) 29.185 11.647 ( -3.531 12.481 0.000) 12.971 11.647 ( 3.531 12.481 0.000) 12.971 12.379 ( -22.208 7.580 0.000) 23.466 12.379 ( 22.208 7.580 0.000) 23.466 12.772 ( -17.794 -3.210 0.000) 18.081 12.772 ( 17.794 -3.210 0.000) 18.081 13.507 ( -32.315 -3.759 0.000) 32.533 13.507 ( 32.315 -3.759 0.000) 32.533 13.806 ( -33.024 8.688 0.000) 34.148 13.806 ( 33.024 8.688 0.000) 34.148 14.226 ( -15.542 5.555 0.000) 16.505 14.226 ( 15.542 5.555 0.000) 16.505 14.604 ( -2.839 -0.423 0.000) 2.870 14.604 ( 2.839 -0.423 0.000) 2.870 14.683 ( -16.913 -8.300 0.000) 18.840 14.683 ( 16.913 -8.300 0.000) 18.840 15.444 ( -18.135 -2.887 0.000) 18.364 15.444 ( 18.135 -2.887 0.000) 18.364 15.869 ( -11.702 -8.468 0.000) 14.444 15.869 ( 11.702 -8.468 0.000) 14.444 16.044 ( -6.998 -13.434 0.000) 15.148 16.044 ( 6.998 -13.434 0.000) 15.148 16.607 ( -6.795 -4.635 0.000) 8.225 16.607 ( 6.795 -4.635 0.000) 8.225 20.556 ( -15.255 -7.798 0.000) 17.133 20.556 ( 15.255 -7.798 0.000) 17.133 20.919 ( -22.487 -13.561 0.000) 26.259 20.919 ( 22.487 -13.561 0.000) 26.259 21.128 ( -3.673 4.824 0.000) 6.063 21.128 ( 3.673 4.824 0.000) 6.063 21.826 ( -0.883 -8.278 0.000) 8.325 21.826 ( 0.883 -8.278 0.000) 8.325 ======================= Grid point 33 (19/90) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.000 35.042 0.000) 35.042 2.435 ( 0.000 35.189 0.000) 35.189 3.563 ( 0.000 22.972 0.000) 22.972 4.079 ( 0.000 19.784 0.000) 19.784 4.120 ( 0.000 -24.397 0.000) 24.397 4.383 ( 0.000 -12.529 0.000) 12.529 4.510 ( 0.000 0.199 0.000) 0.199 4.524 ( 0.000 -9.700 0.000) 9.700 4.618 ( 0.000 36.895 0.000) 36.895 4.690 ( 0.000 20.598 0.000) 20.598 4.857 ( 0.000 12.496 0.000) 12.496 5.093 ( 0.000 7.869 0.000) 7.869 5.269 ( 0.000 41.614 0.000) 41.614 5.599 ( 0.000 12.188 0.000) 12.188 6.006 ( 0.000 10.054 0.000) 10.054 6.541 ( 0.000 -3.098 0.000) 3.098 6.855 ( 0.000 -9.456 0.000) 9.456 6.923 ( 0.000 -15.742 0.000) 15.742 7.369 ( 0.000 8.121 0.000) 8.121 7.475 ( 0.000 6.611 0.000) 6.611 7.480 ( 0.000 4.202 0.000) 4.202 7.561 ( 0.000 23.365 0.000) 23.365 7.650 ( 0.000 -22.538 0.000) 22.538 8.110 ( 0.000 -30.088 0.000) 30.088 8.180 ( 0.000 17.008 0.000) 17.008 8.570 ( 0.000 10.220 0.000) 10.220 8.628 ( 0.000 9.063 0.000) 9.063 8.679 ( 0.000 -5.905 0.000) 5.905 8.938 ( 0.000 9.463 0.000) 9.463 9.101 ( 0.000 -4.215 0.000) 4.215 9.191 ( 0.000 -10.607 0.000) 10.607 9.334 ( 0.000 6.438 0.000) 6.438 9.585 ( 0.000 -9.340 0.000) 9.340 9.679 ( 0.000 -15.012 0.000) 15.012 9.805 ( 0.000 -10.721 0.000) 10.721 9.900 ( 0.000 0.498 0.000) 0.498 10.057 ( 0.000 21.560 0.000) 21.560 11.043 ( 0.000 -6.942 0.000) 6.942 11.079 ( 0.000 1.442 0.000) 1.442 11.185 ( 0.000 -2.893 0.000) 2.893 11.581 ( 0.000 49.442 0.000) 49.442 11.807 ( 0.000 45.675 0.000) 45.675 11.970 ( 0.000 3.465 0.000) 3.465 12.009 ( 0.000 -2.915 0.000) 2.915 12.164 ( 0.000 21.066 0.000) 21.066 13.025 ( 0.000 9.183 0.000) 9.183 13.258 ( 0.000 20.865 0.000) 20.865 13.464 ( 0.000 -17.636 0.000) 17.636 13.748 ( 0.000 8.521 0.000) 8.521 13.922 ( 0.000 -14.275 0.000) 14.275 14.161 ( 0.000 -15.542 0.000) 15.542 14.500 ( 0.000 -13.031 0.000) 13.031 14.562 ( 0.000 -24.123 0.000) 24.123 14.672 ( 0.000 12.400 0.000) 12.400 14.697 ( 0.000 -28.805 0.000) 28.805 15.098 ( 0.000 2.111 0.000) 2.111 15.766 ( 0.000 -19.014 0.000) 19.014 15.891 ( 0.000 -11.950 0.000) 11.950 16.027 ( 0.000 4.317 0.000) 4.317 16.326 ( 0.000 -4.527 0.000) 4.527 17.377 ( 0.000 8.186 0.000) 8.186 17.743 ( 0.000 6.022 0.000) 6.022 17.969 ( 0.000 -8.730 0.000) 8.730 18.101 ( 0.000 13.332 0.000) 13.332 18.284 ( 0.000 -9.776 0.000) 9.776 18.903 ( 0.000 -7.363 0.000) 7.363 19.194 ( 0.000 5.149 0.000) 5.149 19.573 ( 0.000 -6.016 0.000) 6.016 21.281 ( 0.000 5.317 0.000) 5.317 21.761 ( 0.000 -8.201 0.000) 8.201 22.579 ( 0.000 4.071 0.000) 4.071 23.063 ( 0.000 -12.608 0.000) 12.608 ======================= Grid point 34 (20/90) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 16.457 31.828 0.000) 35.831 2.558 ( 11.729 33.956 0.000) 35.925 3.680 ( 10.947 17.808 0.000) 20.904 3.979 ( -3.962 4.070 0.000) 5.680 4.290 ( 10.112 -10.074 0.000) 14.274 4.415 ( -1.342 -0.121 0.000) 1.347 4.478 ( 1.782 -10.141 0.000) 10.297 4.505 ( -7.800 15.519 0.000) 17.369 4.516 ( 0.808 0.198 0.000) 0.832 4.886 ( 14.488 29.014 0.000) 32.430 4.923 ( 6.870 12.142 0.000) 13.951 5.079 ( -1.340 7.156 0.000) 7.280 5.350 ( 8.113 39.501 0.000) 40.326 5.582 ( -1.494 10.738 0.000) 10.841 5.955 ( -5.094 8.513 0.000) 9.921 6.481 ( -7.028 -5.263 0.000) 8.780 6.774 ( -6.260 -11.903 0.000) 13.449 6.990 ( 6.631 -12.656 0.000) 14.288 7.160 ( -24.460 -11.460 0.000) 27.011 7.193 ( -12.222 19.774 0.000) 23.246 7.488 ( -1.336 8.735 0.000) 8.836 7.696 ( 8.452 5.954 0.000) 10.339 7.764 ( 7.712 -3.441 0.000) 8.445 7.972 ( -6.605 -16.733 0.000) 17.990 8.282 ( 3.476 4.853 0.000) 5.970 8.583 ( 3.562 8.009 0.000) 8.765 8.750 ( 6.378 -5.406 0.000) 8.361 8.822 ( 14.276 7.510 0.000) 16.130 8.924 ( -11.289 -2.446 0.000) 11.551 9.093 ( -1.099 -3.184 0.000) 3.368 9.170 ( 21.536 7.785 0.000) 22.900 9.590 ( 0.818 -9.247 0.000) 9.283 9.708 ( -0.848 -3.577 0.000) 3.676 9.746 ( 20.438 -9.050 0.000) 22.352 9.866 ( 16.766 -8.809 0.000) 18.940 10.042 ( 13.312 -0.663 0.000) 13.329 10.062 ( 0.506 21.125 0.000) 21.131 10.996 ( -4.784 -6.330 0.000) 7.934 11.109 ( 1.826 -0.719 0.000) 1.963 11.191 ( 3.125 -0.482 0.000) 3.162 11.607 ( 2.636 49.802 0.000) 49.872 11.859 ( 5.218 45.441 0.000) 45.740 11.931 ( 1.405 2.969 0.000) 3.285 12.143 ( -2.051 20.512 0.000) 20.614 12.185 ( 12.885 1.120 0.000) 12.933 13.018 ( -1.076 7.684 0.000) 7.759 13.297 ( 4.158 21.216 0.000) 21.619 13.394 ( -7.171 -17.053 0.000) 18.500 13.682 ( -6.036 5.676 0.000) 8.286 13.862 ( -4.890 -11.428 0.000) 12.430 14.187 ( 1.422 -10.108 0.000) 10.207 14.543 ( 4.342 -12.549 0.000) 13.279 14.584 ( 2.298 -22.628 0.000) 22.744 14.713 ( 1.423 -29.361 0.000) 29.396 14.719 ( 4.008 10.297 0.000) 11.049 15.076 ( -1.963 -0.108 0.000) 1.966 15.746 ( -1.972 -18.812 0.000) 18.915 15.777 ( -11.152 -11.396 0.000) 15.944 15.948 ( -8.099 4.987 0.000) 9.512 16.243 ( -8.116 -2.723 0.000) 8.561 17.116 ( -21.784 9.624 0.000) 23.815 17.480 ( -18.041 3.737 0.000) 18.424 17.660 ( -26.642 -6.793 0.000) 27.495 17.973 ( -24.562 -9.045 0.000) 26.174 18.446 ( 24.991 11.055 0.000) 27.327 19.148 ( 18.735 -8.050 0.000) 20.391 19.446 ( 21.170 3.311 0.000) 21.428 19.875 ( 25.514 -12.203 0.000) 28.281 21.288 ( 0.622 5.220 0.000) 5.257 21.762 ( -0.020 -8.156 0.000) 8.156 22.492 ( -8.937 3.644 0.000) 9.651 22.949 ( -11.565 -11.960 0.000) 16.637 ======================= Grid point 35 (21/90) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 24.260 25.012 0.000) 34.844 2.834 ( 15.883 30.468 0.000) 34.360 3.897 ( 8.213 6.800 0.000) 10.663 3.942 ( 0.186 2.219 0.000) 2.227 4.326 ( -7.094 22.018 0.000) 23.133 4.346 ( -4.625 -5.131 0.000) 6.908 4.401 ( -0.589 -3.895 0.000) 3.939 4.561 ( 3.259 -1.913 0.000) 3.779 4.611 ( 8.644 -16.141 0.000) 18.310 5.036 ( 1.765 0.237 0.000) 1.780 5.147 ( 11.882 6.657 0.000) 13.620 5.204 ( 17.243 24.219 0.000) 29.730 5.540 ( -3.221 8.408 0.000) 9.003 5.583 ( 16.557 37.808 0.000) 41.274 5.832 ( -6.532 4.997 0.000) 8.225 6.243 ( -17.208 -5.586 0.000) 18.092 6.620 ( -15.638 -11.257 0.000) 19.268 6.748 ( -8.421 -14.323 0.000) 16.615 6.996 ( -7.512 18.791 0.000) 20.237 7.161 ( 9.955 -9.059 0.000) 13.460 7.428 ( -4.081 10.495 0.000) 11.261 7.736 ( -6.313 -6.090 0.000) 8.772 7.891 ( 4.099 -2.439 0.000) 4.770 7.904 ( -1.925 -18.737 0.000) 18.835 8.294 ( -0.731 10.517 0.000) 10.542 8.666 ( 3.992 6.497 0.000) 7.625 8.847 ( 1.958 1.041 0.000) 2.218 8.919 ( 12.495 -5.992 0.000) 13.858 9.044 ( -4.138 -0.322 0.000) 4.151 9.103 ( 14.448 7.223 0.000) 16.153 9.537 ( -10.637 -10.267 0.000) 14.784 9.624 ( 2.514 -5.360 0.000) 5.920 9.659 ( 25.987 7.108 0.000) 26.942 10.072 ( 0.357 18.007 0.000) 18.011 10.193 ( 17.105 -1.459 0.000) 17.167 10.281 ( 24.369 -4.127 0.000) 24.716 10.417 ( 25.813 -1.921 0.000) 25.884 10.866 ( -8.366 -5.230 0.000) 9.866 11.144 ( 5.695 3.303 0.000) 6.583 11.394 ( 17.050 2.029 0.000) 17.171 11.672 ( 3.673 49.237 0.000) 49.374 11.988 ( 6.874 45.487 0.000) 46.004 12.051 ( 11.288 6.562 0.000) 13.057 12.098 ( -1.788 19.254 0.000) 19.336 12.478 ( 17.331 6.811 0.000) 18.621 12.969 ( -4.139 7.022 0.000) 8.151 13.198 ( -12.780 -15.149 0.000) 19.820 13.425 ( 9.341 17.749 0.000) 20.057 13.541 ( -8.304 3.902 0.000) 9.175 13.789 ( -1.630 -9.413 0.000) 9.553 14.180 ( -2.221 -4.468 0.000) 4.990 14.631 ( 1.248 -15.214 0.000) 15.265 14.661 ( 7.737 -11.256 0.000) 13.659 14.734 ( 0.247 -29.315 0.000) 29.316 14.789 ( 2.546 8.771 0.000) 9.133 15.046 ( -0.834 -7.153 0.000) 7.202 15.505 ( -15.705 -10.579 0.000) 18.935 15.696 ( -2.978 -18.360 0.000) 18.600 15.722 ( -15.006 6.904 0.000) 16.518 16.040 ( -12.162 -0.942 0.000) 12.199 16.712 ( -17.867 6.503 0.000) 19.014 17.093 ( -30.252 -5.260 0.000) 30.706 17.115 ( -20.447 -1.559 0.000) 20.506 17.457 ( -27.498 -7.826 0.000) 28.590 18.959 ( 27.435 6.725 0.000) 28.247 19.516 ( 18.945 -8.472 0.000) 20.754 19.875 ( 21.769 1.368 0.000) 21.812 20.364 ( 22.659 -18.262 0.000) 29.102 21.298 ( 0.194 4.966 0.000) 4.969 21.756 ( -0.810 -8.093 0.000) 8.134 22.242 ( -16.770 2.669 0.000) 16.981 22.636 ( -20.182 -10.422 0.000) 22.714 ======================= Grid point 36 (22/90) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 16.965 24.122 0.000) 29.490 3.220 ( 21.386 16.779 0.000) 27.182 3.894 ( -6.753 2.267 0.000) 7.123 3.998 ( 6.124 -1.775 0.000) 6.376 4.181 ( -6.626 -1.808 0.000) 6.868 4.301 ( -8.612 2.531 0.000) 8.976 4.401 ( 8.256 12.901 0.000) 15.317 4.555 ( -3.848 -0.284 0.000) 3.858 4.769 ( 6.996 -17.793 0.000) 19.119 5.110 ( 3.264 -4.144 0.000) 5.275 5.219 ( -10.928 -11.760 0.000) 16.053 5.448 ( 3.149 6.442 0.000) 7.171 5.562 ( 10.599 9.642 0.000) 14.329 5.796 ( 5.141 3.775 0.000) 6.378 5.862 ( -6.399 14.810 0.000) 16.133 6.049 ( 20.086 22.074 0.000) 29.845 6.383 ( -3.705 -10.170 0.000) 10.824 6.744 ( 4.073 -6.490 0.000) 7.662 6.877 ( -5.550 12.412 0.000) 13.596 7.318 ( 4.531 -7.123 0.000) 8.442 7.354 ( -3.160 3.438 0.000) 4.670 7.487 ( -17.798 -14.741 0.000) 23.110 7.816 ( -7.512 -14.584 0.000) 16.405 7.887 ( -4.942 -6.578 0.000) 8.227 8.348 ( 7.237 16.875 0.000) 18.361 8.718 ( 1.287 7.874 0.000) 7.979 8.886 ( 1.570 -0.064 0.000) 1.571 8.952 ( -4.614 3.510 0.000) 5.797 9.222 ( 14.687 -5.058 0.000) 15.534 9.334 ( -7.652 -7.343 0.000) 10.605 9.372 ( 13.067 7.072 0.000) 14.858 9.657 ( -0.134 1.747 0.000) 1.753 10.048 ( 11.287 2.357 0.000) 11.531 10.068 ( -0.909 12.162 0.000) 12.196 10.439 ( 8.189 -4.278 0.000) 9.240 10.691 ( -9.121 -4.312 0.000) 10.088 10.740 ( 24.791 2.627 0.000) 24.929 10.899 ( 22.963 -1.783 0.000) 23.032 11.484 ( 29.056 13.845 0.000) 32.186 11.729 ( 1.497 43.106 0.000) 43.132 11.779 ( 20.908 9.698 0.000) 23.048 12.020 ( -1.361 28.619 0.000) 28.652 12.154 ( 4.391 36.050 0.000) 36.316 12.357 ( 19.616 10.337 0.000) 22.173 12.843 ( 14.647 15.550 0.000) 21.363 12.896 ( 4.403 4.958 0.000) 6.631 12.934 ( -13.368 -11.003 0.000) 17.314 13.362 ( -10.459 5.089 0.000) 11.631 13.657 ( 13.965 7.558 0.000) 15.879 13.825 ( 6.298 -10.294 0.000) 12.068 14.104 ( -6.172 -3.062 0.000) 6.890 14.589 ( -5.167 -8.229 0.000) 9.717 14.702 ( -5.467 -25.391 0.000) 25.973 14.801 ( -0.694 6.717 0.000) 6.753 14.837 ( 9.775 -7.196 0.000) 12.138 14.968 ( -9.870 -7.578 0.000) 12.444 15.233 ( -14.562 -7.968 0.000) 16.599 15.434 ( -8.928 3.386 0.000) 9.548 15.645 ( -1.968 -18.017 0.000) 18.124 15.809 ( -11.065 -2.647 0.000) 11.377 16.444 ( -12.724 -0.083 0.000) 12.724 16.555 ( -22.231 -4.660 0.000) 22.714 16.655 ( -27.742 -5.199 0.000) 28.225 16.980 ( -20.695 -6.964 0.000) 21.835 19.488 ( 27.363 1.468 0.000) 27.402 19.879 ( 18.975 -8.923 0.000) 20.969 20.251 ( 16.726 -0.571 0.000) 16.736 20.707 ( 12.661 -18.974 0.000) 22.811 21.288 ( -1.384 4.671 0.000) 4.872 21.726 ( -2.246 -8.177 0.000) 8.479 21.865 ( -21.605 1.953 0.000) 21.693 22.207 ( -23.193 -8.729 0.000) 24.781 ======================= Grid point 37 (23/90) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 15.252 14.323 0.000) 20.923 3.518 ( 8.877 6.710 0.000) 11.127 3.777 ( -2.050 1.735 0.000) 2.686 4.078 ( -3.692 -3.787 0.000) 5.288 4.122 ( -8.521 5.124 0.000) 9.943 4.179 ( 8.874 -9.765 0.000) 13.194 4.426 ( -6.887 2.638 0.000) 7.375 4.585 ( 9.719 10.443 0.000) 14.266 4.845 ( -0.789 -20.020 0.000) 20.035 4.965 ( -10.565 -4.861 0.000) 11.630 5.088 ( -3.677 -1.574 0.000) 3.999 5.237 ( -16.574 -3.384 0.000) 16.916 5.815 ( 9.267 0.703 0.000) 9.293 5.860 ( 3.750 16.773 0.000) 17.187 5.997 ( 17.351 -5.407 0.000) 18.174 6.489 ( 12.176 -3.047 0.000) 12.551 6.517 ( 20.159 12.359 0.000) 23.645 6.773 ( -6.562 3.952 0.000) 7.660 6.857 ( 6.542 2.712 0.000) 7.082 7.084 ( -17.196 -4.785 0.000) 17.850 7.325 ( 0.883 -8.583 0.000) 8.628 7.364 ( -1.759 -11.070 0.000) 11.208 7.623 ( -11.624 -10.824 0.000) 15.883 7.702 ( -13.742 -7.959 0.000) 15.881 8.538 ( 10.662 14.854 0.000) 18.285 8.722 ( -0.379 10.512 0.000) 10.518 8.881 ( -2.937 5.422 0.000) 6.166 8.883 ( -2.298 -1.726 0.000) 2.874 9.237 ( 2.402 0.985 0.000) 2.597 9.502 ( 10.671 -2.054 0.000) 10.867 9.556 ( -0.579 4.784 0.000) 4.818 9.610 ( 0.597 6.222 0.000) 6.251 10.051 ( -0.016 6.961 0.000) 6.961 10.133 ( -0.275 1.943 0.000) 1.962 10.488 ( -0.694 -7.123 0.000) 7.157 10.544 ( -5.577 -4.140 0.000) 6.946 11.262 ( 22.447 6.933 0.000) 23.493 11.316 ( 24.065 6.986 0.000) 25.058 11.701 ( -4.683 27.784 0.000) 28.176 11.984 ( 13.360 25.181 0.000) 28.506 12.019 ( 1.474 33.308 0.000) 33.341 12.119 ( -9.687 25.732 0.000) 27.495 12.185 ( 24.631 14.568 0.000) 28.616 12.743 ( 14.487 17.894 0.000) 23.023 12.745 ( -5.668 3.454 0.000) 6.637 12.922 ( 14.912 1.254 0.000) 14.965 13.133 ( -13.346 8.195 0.000) 15.661 13.369 ( 29.660 9.902 0.000) 31.269 13.893 ( -17.297 -4.326 0.000) 17.830 13.893 ( 11.581 -8.197 0.000) 14.188 14.099 ( 20.696 -5.817 0.000) 21.498 14.419 ( -20.467 -6.339 0.000) 21.426 14.474 ( -9.618 -13.749 0.000) 16.779 14.750 ( -3.758 8.209 0.000) 9.029 14.777 ( -9.989 -6.931 0.000) 12.158 14.848 ( -19.472 7.298 0.000) 20.794 15.059 ( 13.021 -7.272 0.000) 14.915 15.448 ( 3.736 -13.026 0.000) 13.551 15.634 ( 1.157 -18.093 0.000) 18.130 15.636 ( -5.798 -4.457 0.000) 7.313 16.060 ( -20.014 -2.458 0.000) 20.165 16.107 ( -26.507 -5.649 0.000) 27.103 16.405 ( -0.382 -6.862 0.000) 6.872 16.657 ( -13.231 -8.467 0.000) 15.708 20.001 ( 25.292 -3.082 0.000) 25.479 20.256 ( 20.197 -9.967 0.000) 22.523 20.487 ( 6.248 -3.349 0.000) 7.089 20.827 ( -1.361 -16.693 0.000) 16.748 21.246 ( -2.601 4.667 0.000) 5.343 21.455 ( -19.034 2.902 0.000) 19.254 21.674 ( -2.836 -8.452 0.000) 8.915 21.809 ( -15.960 -7.727 0.000) 17.732 ======================= Grid point 38 (24/90) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( -0.732 2.478 0.000) 2.584 3.598 ( 0.732 2.478 0.000) 2.584 3.947 ( -14.419 6.561 0.000) 15.842 3.947 ( 14.419 6.561 0.000) 15.842 4.069 ( -5.087 -5.971 0.000) 7.844 4.069 ( 5.087 -5.971 0.000) 7.844 4.612 ( -15.725 -4.536 0.000) 16.366 4.612 ( 15.725 -4.536 0.000) 16.366 4.799 ( -7.218 0.075 0.000) 7.218 4.799 ( 7.218 0.075 0.000) 7.218 5.061 ( -2.048 -3.449 0.000) 4.011 5.061 ( 2.048 -3.449 0.000) 4.011 5.888 ( -0.854 7.008 0.000) 7.060 5.888 ( 0.854 7.008 0.000) 7.060 6.431 ( -23.806 -12.101 0.000) 26.705 6.431 ( 23.806 -12.101 0.000) 26.705 6.679 ( -3.845 8.842 0.000) 9.642 6.679 ( 3.845 8.842 0.000) 9.642 6.970 ( -3.804 0.495 0.000) 3.836 6.970 ( 3.804 0.495 0.000) 3.836 7.393 ( -1.516 -11.208 0.000) 11.310 7.393 ( 1.516 -11.208 0.000) 11.310 7.442 ( -1.810 -6.633 0.000) 6.876 7.442 ( 1.810 -6.633 0.000) 6.876 8.692 ( -4.229 11.336 0.000) 12.099 8.692 ( 4.229 11.336 0.000) 12.099 8.843 ( -0.076 2.933 0.000) 2.934 8.843 ( 0.076 2.933 0.000) 2.934 9.384 ( -10.801 5.997 0.000) 12.354 9.384 ( 10.801 5.997 0.000) 12.354 9.637 ( -2.822 1.254 0.000) 3.088 9.637 ( 2.822 1.254 0.000) 3.088 10.087 ( -3.306 4.244 0.000) 5.380 10.087 ( 3.306 4.244 0.000) 5.380 10.482 ( -1.036 -5.372 0.000) 5.471 10.482 ( 1.036 -5.372 0.000) 5.471 11.550 ( -10.962 15.145 0.000) 18.696 11.550 ( 10.962 15.145 0.000) 18.696 11.801 ( -22.086 11.676 0.000) 24.983 11.801 ( 22.086 11.676 0.000) 24.983 12.056 ( -1.288 34.771 0.000) 34.794 12.056 ( 1.288 34.771 0.000) 34.794 12.604 ( -14.184 14.399 0.000) 20.212 12.604 ( 14.184 14.399 0.000) 20.212 12.893 ( -8.755 13.915 0.000) 16.440 12.893 ( 8.755 13.915 0.000) 16.440 13.431 ( -29.047 -2.623 0.000) 29.166 13.431 ( 29.047 -2.623 0.000) 29.166 13.947 ( -28.286 2.340 0.000) 28.383 13.947 ( 28.286 2.340 0.000) 28.383 14.174 ( -18.059 -11.019 0.000) 21.155 14.174 ( 18.059 -11.019 0.000) 21.155 14.503 ( -18.784 -6.560 0.000) 19.897 14.503 ( 18.784 -6.560 0.000) 19.897 14.690 ( -0.814 8.542 0.000) 8.580 14.690 ( 0.814 8.542 0.000) 8.580 15.332 ( -14.019 -10.176 0.000) 17.323 15.332 ( 14.019 -10.176 0.000) 17.323 15.682 ( -1.676 -15.602 0.000) 15.692 15.682 ( 1.676 -15.602 0.000) 15.692 15.783 ( -0.992 -1.111 0.000) 1.489 15.783 ( 0.992 -1.111 0.000) 1.489 16.467 ( -6.574 -8.975 0.000) 11.125 16.467 ( 6.574 -8.975 0.000) 11.125 20.411 ( -14.819 -5.523 0.000) 15.814 20.411 ( 14.819 -5.523 0.000) 15.814 20.633 ( -17.314 -12.724 0.000) 21.487 20.633 ( 17.314 -12.724 0.000) 21.487 21.230 ( -3.321 5.016 0.000) 6.016 21.230 ( 3.321 5.016 0.000) 6.016 21.648 ( -1.599 -8.377 0.000) 8.528 21.648 ( 1.599 -8.377 0.000) 8.528 ======================= Grid point 44 (25/90) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 0.000 32.779 0.000) 32.779 3.127 ( 0.000 30.389 0.000) 30.389 3.553 ( 0.000 -29.330 0.000) 29.330 3.658 ( 0.000 -16.411 0.000) 16.411 4.207 ( 0.000 3.319 0.000) 3.319 4.348 ( 0.000 -7.650 0.000) 7.650 4.382 ( 0.000 8.923 0.000) 8.923 4.488 ( 0.000 -2.359 0.000) 2.359 5.075 ( 0.000 8.258 0.000) 8.258 5.105 ( 0.000 16.919 0.000) 16.919 5.177 ( 0.000 -0.674 0.000) 0.674 5.222 ( 0.000 12.061 0.000) 12.061 5.893 ( 0.000 14.687 0.000) 14.687 6.015 ( 0.000 25.451 0.000) 25.451 6.122 ( 0.000 -3.471 0.000) 3.471 6.508 ( 0.000 -22.809 0.000) 22.809 6.665 ( 0.000 24.041 0.000) 24.041 6.799 ( 0.000 8.492 0.000) 8.492 7.165 ( 0.000 -22.527 0.000) 22.527 7.385 ( 0.000 -37.069 0.000) 37.069 7.558 ( 0.000 2.430 0.000) 2.430 7.564 ( 0.000 1.975 0.000) 1.975 7.656 ( 0.000 15.686 0.000) 15.686 7.865 ( 0.000 0.430 0.000) 0.430 8.493 ( 0.000 12.657 0.000) 12.657 8.638 ( 0.000 0.808 0.000) 0.808 8.745 ( 0.000 6.420 0.000) 6.420 8.795 ( 0.000 4.015 0.000) 4.015 8.987 ( 0.000 -3.925 0.000) 3.925 9.061 ( 0.000 3.495 0.000) 3.495 9.108 ( 0.000 2.124 0.000) 2.124 9.241 ( 0.000 -8.077 0.000) 8.077 9.290 ( 0.000 -15.095 0.000) 15.095 9.386 ( 0.000 -12.000 0.000) 12.000 9.776 ( 0.000 6.221 0.000) 6.221 9.887 ( 0.000 -2.967 0.000) 2.967 10.507 ( 0.000 18.948 0.000) 18.948 10.838 ( 0.000 -12.702 0.000) 12.702 11.112 ( 0.000 1.536 0.000) 1.536 11.141 ( 0.000 -1.449 0.000) 1.449 11.968 ( 0.000 -0.717 0.000) 0.717 11.978 ( 0.000 -1.135 0.000) 1.135 12.601 ( 0.000 20.017 0.000) 20.017 12.602 ( 0.000 43.884 0.000) 43.884 12.853 ( 0.000 49.944 0.000) 49.944 13.092 ( 0.000 -13.638 0.000) 13.638 13.261 ( 0.000 13.850 0.000) 13.850 13.590 ( 0.000 -16.638 0.000) 16.638 13.601 ( 0.000 -37.741 0.000) 37.741 13.753 ( 0.000 23.369 0.000) 23.369 13.861 ( 0.000 -42.928 0.000) 42.928 13.952 ( 0.000 10.527 0.000) 10.527 14.184 ( 0.000 -17.510 0.000) 17.510 14.204 ( 0.000 -14.876 0.000) 14.876 14.971 ( 0.000 16.273 0.000) 16.273 15.281 ( 0.000 13.073 0.000) 13.073 15.352 ( 0.000 -19.667 0.000) 19.667 15.592 ( 0.000 -15.551 0.000) 15.551 16.125 ( 0.000 4.981 0.000) 4.981 16.229 ( 0.000 -4.801 0.000) 4.801 17.564 ( 0.000 9.551 0.000) 9.551 17.770 ( 0.000 -9.913 0.000) 9.913 17.889 ( 0.000 7.936 0.000) 7.936 18.072 ( 0.000 -9.352 0.000) 9.352 18.413 ( 0.000 14.699 0.000) 14.699 18.699 ( 0.000 -11.999 0.000) 11.999 19.311 ( 0.000 5.938 0.000) 5.938 19.441 ( 0.000 -6.379 0.000) 6.379 21.414 ( 0.000 7.338 0.000) 7.338 21.583 ( 0.000 -8.528 0.000) 8.528 22.682 ( 0.000 5.909 0.000) 5.909 22.835 ( 0.000 -8.968 0.000) 8.968 ======================= Grid point 45 (26/90) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 11.382 30.748 0.000) 32.787 3.226 ( 9.252 29.236 0.000) 30.665 3.624 ( 6.788 -26.658 0.000) 27.508 3.734 ( 6.915 -15.595 0.000) 17.059 4.235 ( 2.656 0.447 0.000) 2.694 4.327 ( -1.931 -5.875 0.000) 6.184 4.376 ( -0.097 7.369 0.000) 7.370 4.482 ( -0.635 -3.079 0.000) 3.144 5.024 ( -6.751 22.575 0.000) 23.563 5.114 ( 2.844 6.434 0.000) 7.035 5.183 ( 0.355 0.814 0.000) 0.888 5.293 ( 5.007 2.735 0.000) 5.705 5.862 ( -2.728 14.902 0.000) 15.150 6.067 ( 5.053 23.965 0.000) 24.492 6.081 ( -4.294 -1.428 0.000) 4.525 6.410 ( -7.463 -4.575 0.000) 8.753 6.609 ( -14.720 1.039 0.000) 14.757 6.799 ( 10.699 6.995 0.000) 12.783 6.842 ( -24.275 -16.465 0.000) 29.332 7.358 ( -0.894 -32.760 0.000) 32.772 7.583 ( -7.377 16.550 0.000) 18.120 7.639 ( 4.114 5.601 0.000) 6.950 7.720 ( 8.675 -2.251 0.000) 8.962 7.807 ( -6.053 -2.050 0.000) 6.391 8.479 ( 1.821 7.452 0.000) 7.672 8.622 ( -1.646 -6.473 0.000) 6.679 8.746 ( 2.078 7.789 0.000) 8.061 8.889 ( 5.829 -4.146 0.000) 7.153 8.964 ( 1.909 10.224 0.000) 10.401 9.108 ( 5.819 7.922 0.000) 9.830 9.306 ( 6.281 -15.235 0.000) 16.479 9.340 ( 5.241 -12.605 0.000) 13.651 9.389 ( 17.107 5.637 0.000) 18.012 9.606 ( 21.368 -10.875 0.000) 23.976 9.901 ( 14.560 6.776 0.000) 16.059 10.013 ( 12.967 -3.258 0.000) 13.370 10.489 ( -1.886 18.040 0.000) 18.138 10.804 ( -3.485 -12.029 0.000) 12.524 11.120 ( 1.679 1.889 0.000) 2.528 11.167 ( 4.093 -1.986 0.000) 4.550 12.009 ( 6.926 4.933 0.000) 8.503 12.126 ( 12.352 -5.390 0.000) 13.477 12.560 ( -4.080 19.551 0.000) 19.972 12.618 ( 1.234 39.920 0.000) 39.939 12.890 ( 3.627 48.106 0.000) 48.243 13.049 ( -4.156 -9.469 0.000) 10.340 13.247 ( -1.447 13.816 0.000) 13.891 13.558 ( -3.696 -27.888 0.000) 28.132 13.566 ( -2.140 -15.283 0.000) 15.432 13.801 ( 4.625 23.343 0.000) 23.797 13.871 ( 1.424 -37.863 0.000) 37.890 14.040 ( 7.545 -2.278 0.000) 7.881 14.210 ( 0.542 -14.105 0.000) 14.115 14.233 ( 5.004 -17.393 0.000) 18.098 14.979 ( 0.831 14.794 0.000) 14.817 15.219 ( -6.228 11.494 0.000) 13.073 15.340 ( -1.260 -19.085 0.000) 19.127 15.500 ( -9.167 -14.241 0.000) 16.936 16.059 ( -6.818 5.446 0.000) 8.726 16.167 ( -6.425 -4.571 0.000) 7.885 17.311 ( -22.346 9.145 0.000) 24.145 17.498 ( -24.247 -8.483 0.000) 25.688 17.600 ( -22.092 7.453 0.000) 23.315 17.779 ( -23.666 -9.231 0.000) 25.403 18.698 ( 21.519 12.403 0.000) 24.838 18.947 ( 19.115 -11.003 0.000) 22.056 19.533 ( 19.275 5.138 0.000) 19.948 19.668 ( 19.864 -7.908 0.000) 21.380 21.419 ( 0.392 7.221 0.000) 7.231 21.585 ( 0.145 -8.419 0.000) 8.420 22.586 ( -9.750 5.534 0.000) 11.212 22.732 ( -10.521 -8.558 0.000) 13.562 ======================= Grid point 46 (27/90) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 16.592 25.267 0.000) 30.227 3.432 ( 10.974 25.847 0.000) 28.080 3.772 ( 7.202 -17.976 0.000) 19.365 3.863 ( 4.690 -12.388 0.000) 13.247 4.261 ( -2.157 -1.149 0.000) 2.444 4.321 ( 3.331 -8.059 0.000) 8.720 4.396 ( 1.727 3.031 0.000) 3.489 4.476 ( 0.838 -4.353 0.000) 4.433 4.872 ( -8.100 27.015 0.000) 28.204 5.084 ( -6.250 4.865 0.000) 7.921 5.188 ( -2.359 -3.344 0.000) 4.093 5.349 ( -0.840 -13.333 0.000) 13.360 5.822 ( -0.785 15.156 0.000) 15.177 5.957 ( -7.595 4.383 0.000) 8.769 6.187 ( 5.189 13.899 0.000) 14.836 6.280 ( -2.184 10.983 0.000) 11.198 6.379 ( -12.714 -8.962 0.000) 15.555 6.439 ( -8.175 -12.868 0.000) 15.245 7.020 ( 11.247 3.289 0.000) 11.718 7.364 ( -4.198 -1.359 0.000) 4.413 7.427 ( -3.479 -8.263 0.000) 8.965 7.622 ( -12.736 -6.987 0.000) 14.527 7.641 ( -3.700 9.310 0.000) 10.018 7.805 ( -0.203 -6.051 0.000) 6.054 8.556 ( 6.272 10.758 0.000) 12.453 8.735 ( 12.793 -7.650 0.000) 14.906 8.811 ( 3.870 7.269 0.000) 8.235 8.957 ( 1.522 -6.182 0.000) 6.367 8.973 ( -0.905 8.932 0.000) 8.978 9.249 ( -7.156 -15.504 0.000) 17.076 9.294 ( 12.053 9.441 0.000) 15.310 9.481 ( 8.617 -8.124 0.000) 11.843 9.847 ( 23.622 10.318 0.000) 25.777 10.066 ( 21.555 -9.772 0.000) 23.667 10.276 ( 22.623 3.407 0.000) 22.878 10.360 ( 22.076 -3.872 0.000) 22.413 10.432 ( -4.111 15.500 0.000) 16.036 10.705 ( -6.769 -10.345 0.000) 12.363 11.255 ( 15.248 6.417 0.000) 16.543 11.372 ( 18.689 -3.899 0.000) 19.092 12.232 ( 16.024 10.220 0.000) 19.005 12.437 ( 19.742 -7.946 0.000) 21.281 12.450 ( -7.287 17.719 0.000) 19.159 12.619 ( -2.385 22.540 0.000) 22.665 12.953 ( -3.431 4.959 0.000) 6.031 12.985 ( 4.650 46.317 0.000) 46.550 13.204 ( -3.021 14.448 0.000) 14.761 13.480 ( -4.109 -15.052 0.000) 15.603 13.523 ( -1.886 -14.716 0.000) 14.836 13.910 ( 2.224 -34.065 0.000) 34.138 13.918 ( 7.241 24.620 0.000) 25.663 14.174 ( 3.108 -9.055 0.000) 9.574 14.240 ( 4.376 -14.697 0.000) 15.335 14.367 ( 8.579 -17.423 0.000) 19.420 14.997 ( 0.844 11.865 0.000) 11.895 15.063 ( -9.148 7.047 0.000) 11.548 15.269 ( -13.814 -11.372 0.000) 17.892 15.308 ( -1.908 -17.546 0.000) 17.650 15.869 ( -12.677 6.795 0.000) 14.383 15.990 ( -11.582 -4.263 0.000) 12.341 16.845 ( -23.735 6.227 0.000) 24.538 16.974 ( -28.021 -5.995 0.000) 28.655 17.145 ( -24.797 4.527 0.000) 25.207 17.285 ( -26.308 -8.071 0.000) 27.519 19.127 ( 22.452 9.025 0.000) 24.198 19.325 ( 19.524 -9.552 0.000) 21.735 19.930 ( 20.157 4.279 0.000) 20.606 20.074 ( 20.181 -9.869 0.000) 22.465 21.423 ( -0.199 6.901 0.000) 6.903 21.583 ( -0.610 -8.143 0.000) 8.166 22.317 ( -17.769 4.703 0.000) 18.380 22.445 ( -18.729 -7.610 0.000) 20.216 ======================= Grid point 47 (28/90) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.584 ( 11.160 16.854 0.000) 20.214 3.622 ( 8.629 18.927 0.000) 20.801 3.874 ( 3.705 -9.994 0.000) 10.658 3.876 ( -3.031 -5.202 0.000) 6.021 4.185 ( -5.340 4.162 0.000) 6.770 4.390 ( -3.149 5.087 0.000) 5.983 4.398 ( 3.615 -15.570 0.000) 15.984 4.506 ( -0.650 -4.813 0.000) 4.857 4.769 ( -1.535 20.997 0.000) 21.053 4.971 ( -3.181 -2.074 0.000) 3.797 5.047 ( -8.545 -6.614 0.000) 10.806 5.233 ( -9.959 -20.751 0.000) 23.017 5.766 ( -3.241 8.119 0.000) 8.742 5.885 ( -1.607 -0.269 0.000) 1.629 6.205 ( 1.401 17.513 0.000) 17.569 6.269 ( 6.655 4.163 0.000) 7.850 6.420 ( 10.165 3.494 0.000) 10.749 6.505 ( 10.123 -13.798 0.000) 17.113 7.155 ( -10.837 12.372 0.000) 16.448 7.192 ( 1.981 1.497 0.000) 2.483 7.312 ( -12.376 -4.882 0.000) 13.305 7.481 ( -0.984 -16.888 0.000) 16.917 7.520 ( -8.300 9.827 0.000) 12.863 7.722 ( -7.916 -8.991 0.000) 11.979 8.695 ( 6.323 15.012 0.000) 16.289 8.875 ( 2.459 6.459 0.000) 6.911 8.887 ( -0.311 -1.563 0.000) 1.594 8.968 ( -0.151 -2.029 0.000) 2.034 9.096 ( 14.727 -4.969 0.000) 15.542 9.144 ( 0.319 -8.729 0.000) 8.735 9.518 ( 10.161 6.588 0.000) 12.109 9.631 ( 5.860 -3.761 0.000) 6.963 10.147 ( 7.281 6.757 0.000) 9.934 10.306 ( 4.871 -7.671 0.000) 9.087 10.331 ( -6.137 12.177 0.000) 13.636 10.554 ( -8.345 -8.758 0.000) 12.098 10.795 ( 29.980 2.648 0.000) 30.097 10.852 ( 28.111 -2.658 0.000) 28.236 11.743 ( 33.010 9.822 0.000) 34.440 11.867 ( 30.385 -1.407 0.000) 30.417 12.283 ( -10.029 14.571 0.000) 17.689 12.488 ( -11.059 -0.009 0.000) 11.059 12.614 ( 23.184 13.641 0.000) 26.899 12.874 ( 24.959 -8.958 0.000) 26.518 12.915 ( -0.137 29.438 0.000) 29.439 13.081 ( 3.945 35.792 0.000) 36.008 13.140 ( -3.042 16.432 0.000) 16.712 13.399 ( -4.589 -3.428 0.000) 5.728 13.507 ( 0.496 -16.919 0.000) 16.927 13.930 ( -1.386 -28.546 0.000) 28.580 14.075 ( 9.201 25.125 0.000) 26.756 14.144 ( -5.109 -7.132 0.000) 8.773 14.327 ( 1.775 -17.109 0.000) 17.201 14.552 ( 10.365 -18.180 0.000) 20.927 14.892 ( -8.516 2.026 0.000) 8.754 15.004 ( -0.329 10.374 0.000) 10.379 15.018 ( -10.676 -9.015 0.000) 13.973 15.274 ( -1.343 -15.905 0.000) 15.961 15.588 ( -15.705 8.322 0.000) 17.774 15.739 ( -13.867 -5.347 0.000) 14.862 16.445 ( -18.606 0.484 0.000) 18.612 16.476 ( -21.293 -2.641 0.000) 21.456 16.646 ( -26.685 4.592 0.000) 27.077 16.805 ( -22.781 -9.108 0.000) 24.535 19.557 ( 22.310 5.125 0.000) 22.891 19.698 ( 19.369 -7.990 0.000) 20.952 20.271 ( 14.588 3.033 0.000) 14.900 20.403 ( 13.387 -10.070 0.000) 16.752 21.405 ( -1.758 6.475 0.000) 6.710 21.556 ( -2.175 -7.830 0.000) 8.126 21.928 ( -21.715 4.152 0.000) 22.109 22.042 ( -22.041 -6.752 0.000) 23.052 ======================= Grid point 48 (29/90) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( 1.529 9.949 0.000) 10.066 3.749 ( 1.181 8.281 0.000) 8.365 3.806 ( 0.571 0.607 0.000) 0.833 3.923 ( 0.657 -11.525 0.000) 11.544 4.098 ( -2.289 8.568 0.000) 8.869 4.272 ( -7.595 7.182 0.000) 10.453 4.418 ( -6.369 -4.913 0.000) 8.043 4.425 ( -1.281 -19.348 0.000) 19.391 4.801 ( 3.943 10.989 0.000) 11.675 4.908 ( -0.712 2.133 0.000) 2.248 5.011 ( -0.648 -5.623 0.000) 5.660 5.053 ( -6.846 -12.168 0.000) 13.962 5.828 ( 9.423 1.775 0.000) 9.588 5.904 ( 6.950 -4.691 0.000) 8.385 6.199 ( -4.439 15.865 0.000) 16.474 6.509 ( -6.209 -11.938 0.000) 13.456 6.538 ( 17.711 8.325 0.000) 19.570 6.759 ( 14.930 -10.479 0.000) 18.240 6.955 ( -4.962 11.219 0.000) 12.267 7.077 ( -4.459 1.823 0.000) 4.818 7.243 ( -2.758 -0.578 0.000) 2.818 7.343 ( -9.483 7.549 0.000) 12.121 7.391 ( -8.367 -10.978 0.000) 13.803 7.525 ( -11.739 -8.863 0.000) 14.709 8.793 ( 4.672 7.907 0.000) 9.184 8.864 ( -0.086 -0.631 0.000) 0.637 8.898 ( -0.217 5.764 0.000) 5.768 8.952 ( -1.611 0.667 0.000) 1.744 9.267 ( 11.355 3.366 0.000) 11.843 9.394 ( 13.621 -7.284 0.000) 15.446 9.638 ( 0.046 3.071 0.000) 3.071 9.674 ( -0.891 0.167 0.000) 0.906 10.206 ( 0.446 5.121 0.000) 5.140 10.223 ( -3.977 9.097 0.000) 9.928 10.337 ( -0.109 -6.970 0.000) 6.971 10.410 ( -5.878 -8.208 0.000) 10.096 11.354 ( 25.415 2.704 0.000) 25.558 11.382 ( 27.087 0.267 0.000) 27.089 12.061 ( -13.178 10.765 0.000) 17.016 12.220 ( -16.347 -4.034 0.000) 16.838 12.401 ( 32.576 11.007 0.000) 34.385 12.454 ( 28.713 7.445 0.000) 29.662 12.922 ( 0.226 37.066 0.000) 37.067 13.040 ( 7.058 13.163 0.000) 14.935 13.097 ( -3.388 21.573 0.000) 21.838 13.112 ( 15.186 15.249 0.000) 21.521 13.288 ( -7.659 4.667 0.000) 8.969 13.401 ( 25.499 -7.367 0.000) 26.542 13.566 ( 7.564 -19.783 0.000) 21.179 13.805 ( -12.210 -20.042 0.000) 23.468 13.972 ( -12.524 -5.239 0.000) 13.576 14.260 ( -9.462 -16.279 0.000) 18.829 14.283 ( 12.632 21.174 0.000) 24.655 14.742 ( -7.172 3.598 0.000) 8.024 14.747 ( 8.791 -17.991 0.000) 20.024 14.871 ( -5.443 -6.223 0.000) 8.268 14.993 ( 0.343 9.818 0.000) 9.824 15.266 ( 0.797 -15.643 0.000) 15.664 15.310 ( -12.421 3.495 0.000) 12.904 15.484 ( -11.692 -9.884 0.000) 15.310 16.088 ( -14.642 5.050 0.000) 15.489 16.169 ( -20.616 10.297 0.000) 23.044 16.240 ( -6.051 -8.410 0.000) 10.361 16.430 ( -15.498 -12.706 0.000) 20.041 19.983 ( 21.552 1.680 0.000) 21.617 20.074 ( 19.575 -6.842 0.000) 20.736 20.457 ( 3.268 1.103 0.000) 3.449 20.556 ( 1.279 -8.780 0.000) 8.873 21.359 ( -2.575 6.154 0.000) 6.671 21.504 ( -2.837 -7.596 0.000) 8.108 21.536 ( -17.011 4.779 0.000) 17.669 21.656 ( -16.070 -6.621 0.000) 17.380 ======================= Grid point 49 (30/90) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( -1.247 7.607 0.000) 7.709 3.709 ( 1.247 7.607 0.000) 7.709 3.888 ( -3.763 -8.697 0.000) 9.476 3.888 ( 3.763 -8.697 0.000) 9.476 4.132 ( -5.791 9.527 0.000) 11.149 4.132 ( 5.791 9.527 0.000) 11.149 4.375 ( -2.056 -13.192 0.000) 13.352 4.375 ( 2.056 -13.192 0.000) 13.352 4.885 ( -3.521 5.291 0.000) 6.355 4.885 ( 3.521 5.291 0.000) 6.355 4.988 ( -0.316 -4.300 0.000) 4.311 4.988 ( 0.316 -4.300 0.000) 4.311 6.027 ( -11.306 7.078 0.000) 13.339 6.027 ( 11.306 7.078 0.000) 13.339 6.205 ( -19.961 -9.712 0.000) 22.198 6.205 ( 19.961 -9.712 0.000) 22.198 6.855 ( -12.364 8.721 0.000) 15.130 6.855 ( 12.364 8.721 0.000) 15.130 7.009 ( -7.566 -1.987 0.000) 7.822 7.009 ( 7.566 -1.987 0.000) 7.822 7.213 ( -0.854 -1.397 0.000) 1.637 7.213 ( 0.854 -1.397 0.000) 1.637 7.315 ( -7.417 -6.603 0.000) 9.930 7.315 ( 7.417 -6.603 0.000) 9.930 8.868 ( -2.723 5.033 0.000) 5.723 8.868 ( 2.723 5.033 0.000) 5.723 8.903 ( -3.264 1.535 0.000) 3.607 8.903 ( 3.264 1.535 0.000) 3.607 9.500 ( -11.450 5.417 0.000) 12.667 9.500 ( 11.450 5.417 0.000) 12.667 9.605 ( -7.653 -3.940 0.000) 8.608 9.605 ( 7.653 -3.940 0.000) 8.608 10.197 ( -0.616 6.219 0.000) 6.250 10.197 ( 0.616 6.219 0.000) 6.250 10.342 ( -1.405 -7.306 0.000) 7.440 10.342 ( 1.405 -7.306 0.000) 7.440 11.765 ( -17.971 6.759 0.000) 19.200 11.765 ( 17.971 6.759 0.000) 19.200 11.858 ( -21.590 -2.064 0.000) 21.689 11.858 ( 21.590 -2.064 0.000) 21.689 12.869 ( -10.287 36.531 0.000) 37.952 12.869 ( 10.287 36.531 0.000) 37.952 12.904 ( -17.793 12.855 0.000) 21.951 12.904 ( 17.793 12.855 0.000) 21.951 13.099 ( -8.632 -0.246 0.000) 8.636 13.099 ( 8.632 -0.246 0.000) 8.636 13.497 ( -18.404 -0.315 0.000) 18.406 13.497 ( 18.404 -0.315 0.000) 18.406 13.707 ( -13.276 -11.169 0.000) 17.349 13.707 ( 13.276 -11.169 0.000) 17.349 13.944 ( -22.684 -12.641 0.000) 25.968 13.944 ( 22.684 -12.641 0.000) 25.968 14.546 ( -13.358 11.566 0.000) 17.669 14.546 ( 13.358 11.566 0.000) 17.669 14.826 ( -0.398 -4.800 0.000) 4.817 14.826 ( 0.398 -4.800 0.000) 4.817 15.094 ( -9.858 -1.706 0.000) 10.004 15.094 ( 9.858 -1.706 0.000) 10.004 15.321 ( -5.317 -16.145 0.000) 16.998 15.321 ( 5.317 -16.145 0.000) 16.998 15.944 ( -1.391 12.670 0.000) 12.746 15.944 ( 1.391 12.670 0.000) 12.746 16.230 ( -5.031 -13.256 0.000) 14.178 16.230 ( 5.031 -13.256 0.000) 14.178 20.347 ( -14.305 -0.071 0.000) 14.305 20.347 ( 14.305 -0.071 0.000) 14.305 20.420 ( -14.598 -7.058 0.000) 16.214 20.420 ( 14.598 -7.058 0.000) 16.214 21.344 ( -2.823 5.946 0.000) 6.582 21.344 ( 2.823 5.946 0.000) 6.582 21.483 ( -2.237 -7.275 0.000) 7.611 21.483 ( 2.237 -7.275 0.000) 7.611 ======================= Grid point 99 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 0.000 0.000 34.642) 34.642 0.926 ( 0.000 0.000 46.537) 46.537 1.526 ( 0.000 0.000 73.941) 73.941 2.632 ( 0.000 0.000 -19.849) 19.849 3.136 ( 0.000 0.000 0.144) 0.144 3.171 ( 0.000 0.000 -1.351) 1.351 3.392 ( 0.000 0.000 -34.786) 34.786 4.244 ( 0.000 0.000 20.513) 20.513 4.576 ( 0.000 0.000 20.805) 20.805 4.953 ( 0.000 0.000 3.566) 3.566 4.963 ( 0.000 0.000 2.850) 2.850 5.116 ( 0.000 0.000 -12.835) 12.835 5.367 ( 0.000 0.000 -7.813) 7.813 5.375 ( 0.000 0.000 16.892) 16.892 5.694 ( 0.000 0.000 3.549) 3.549 5.787 ( 0.000 0.000 -43.691) 43.691 5.871 ( 0.000 0.000 -1.728) 1.728 6.818 ( 0.000 0.000 0.841) 0.841 6.940 ( 0.000 0.000 -5.584) 5.584 7.123 ( 0.000 0.000 1.619) 1.619 7.210 ( 0.000 0.000 -34.317) 34.317 7.436 ( 0.000 0.000 -4.520) 4.520 7.704 ( 0.000 0.000 0.947) 0.947 8.046 ( 0.000 0.000 -7.833) 7.833 8.401 ( 0.000 0.000 2.636) 2.636 8.507 ( 0.000 0.000 34.686) 34.686 8.682 ( 0.000 0.000 1.947) 1.947 8.920 ( 0.000 0.000 6.534) 6.534 9.119 ( 0.000 0.000 16.914) 16.914 9.251 ( 0.000 0.000 -1.876) 1.876 9.404 ( 0.000 0.000 4.388) 4.388 9.449 ( 0.000 0.000 6.995) 6.995 9.511 ( 0.000 0.000 11.364) 11.364 9.694 ( 0.000 0.000 -4.014) 4.014 9.717 ( 0.000 0.000 7.215) 7.215 10.108 ( 0.000 0.000 -10.491) 10.491 10.438 ( 0.000 0.000 -7.738) 7.738 10.528 ( 0.000 0.000 -10.204) 10.204 11.008 ( 0.000 0.000 -1.843) 1.843 11.043 ( 0.000 0.000 1.577) 1.577 11.108 ( 0.000 0.000 -0.166) 0.166 11.199 ( 0.000 0.000 -3.501) 3.501 11.315 ( 0.000 0.000 8.663) 8.663 11.676 ( 0.000 0.000 7.304) 7.304 12.036 ( 0.000 0.000 -10.293) 10.293 12.639 ( 0.000 0.000 -19.666) 19.666 13.181 ( 0.000 0.000 0.178) 0.178 13.209 ( 0.000 0.000 -0.471) 0.471 13.588 ( 0.000 0.000 14.699) 14.699 14.174 ( 0.000 0.000 -3.931) 3.931 14.342 ( 0.000 0.000 -2.717) 2.717 14.389 ( 0.000 0.000 -5.449) 5.449 15.023 ( 0.000 0.000 7.677) 7.677 15.052 ( 0.000 0.000 4.937) 4.937 15.594 ( 0.000 0.000 -0.286) 0.286 15.611 ( 0.000 0.000 -1.408) 1.408 15.886 ( 0.000 0.000 1.726) 1.726 16.008 ( 0.000 0.000 -1.069) 1.069 16.527 ( 0.000 0.000 5.992) 5.992 16.621 ( 0.000 0.000 4.771) 4.771 17.019 ( 0.000 0.000 -4.646) 4.646 17.395 ( 0.000 0.000 -13.848) 13.848 17.723 ( 0.000 0.000 2.022) 2.022 18.013 ( 0.000 0.000 -6.864) 6.864 18.363 ( 0.000 0.000 7.201) 7.201 18.696 ( 0.000 0.000 -2.707) 2.707 19.038 ( 0.000 0.000 2.465) 2.465 19.065 ( 0.000 0.000 1.128) 1.128 22.101 ( 0.000 0.000 4.469) 4.469 22.414 ( 0.000 0.000 -2.955) 2.955 23.553 ( 0.000 0.000 0.908) 0.908 23.630 ( 0.000 0.000 -0.887) 0.887 ======================= Grid point 100 (32/90) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 29.746 0.000 23.367) 37.826 1.185 ( 28.428 0.000 29.097) 40.679 2.199 ( 55.592 0.000 49.912) 74.711 2.751 ( 11.891 0.000 -17.559) 21.206 3.282 ( 10.954 0.000 -11.379) 15.795 3.361 ( 19.044 0.000 -0.833) 19.062 3.443 ( 8.230 0.000 -21.952) 23.444 4.336 ( 9.244 0.000 19.557) 21.631 4.573 ( -0.450 0.000 20.330) 20.335 4.841 ( -9.376 0.000 2.792) 9.782 4.985 ( 2.277 0.000 -3.678) 4.325 5.217 ( 8.741 0.000 -12.952) 15.625 5.305 ( -5.277 0.000 -6.619) 8.465 5.555 ( 16.252 0.000 17.934) 24.202 5.670 ( -2.305 0.000 6.281) 6.691 5.680 ( -15.957 0.000 -4.815) 16.668 5.914 ( 11.590 0.000 -35.892) 37.717 6.742 ( -5.388 0.000 4.969) 7.330 6.944 ( -0.773 0.000 -8.492) 8.527 7.178 ( 6.032 0.000 -2.683) 6.601 7.373 ( 3.540 0.000 -8.316) 9.038 7.555 ( 9.759 0.000 -8.535) 12.964 7.638 ( 4.495 0.000 -9.604) 10.604 8.105 ( 5.326 0.000 -9.977) 11.309 8.506 ( 0.294 0.000 26.405) 26.407 8.519 ( 10.542 0.000 1.966) 10.724 8.800 ( 11.557 0.000 1.946) 11.720 8.945 ( -0.010 0.000 7.775) 7.775 9.126 ( -8.295 0.000 8.256) 11.704 9.191 ( 7.043 0.000 17.770) 19.115 9.351 ( -5.274 0.000 13.090) 14.113 9.436 ( 4.489 0.000 2.765) 5.272 9.558 ( 4.703 0.000 7.671) 8.998 9.583 ( -0.013 0.000 -1.075) 1.075 9.901 ( 4.279 0.000 -3.986) 5.847 10.084 ( -0.839 0.000 -7.808) 7.853 10.323 ( -17.103 0.000 -3.174) 17.395 10.476 ( 4.405 0.000 -7.405) 8.616 10.806 ( -8.064 0.000 10.315) 13.093 11.072 ( -1.177 0.000 5.110) 5.244 11.122 ( 1.558 0.000 -1.182) 1.956 11.197 ( -0.126 0.000 -2.634) 2.637 11.213 ( -6.210 0.000 7.479) 9.721 11.659 ( -1.512 0.000 7.929) 8.071 11.980 ( -4.671 0.000 -9.414) 10.509 12.668 ( 2.263 0.000 -20.791) 20.913 13.267 ( 7.838 0.000 -0.379) 7.847 13.354 ( 8.816 0.000 -6.437) 10.916 13.575 ( -0.586 0.000 15.245) 15.257 14.163 ( -0.631 0.000 -4.176) 4.223 14.310 ( -3.962 0.000 2.595) 4.736 14.327 ( -6.449 0.000 -3.665) 7.418 15.025 ( 0.199 0.000 6.287) 6.291 15.026 ( 0.645 0.000 1.844) 1.953 15.502 ( -8.437 0.000 1.688) 8.605 15.617 ( 0.644 0.000 -1.540) 1.669 15.810 ( -8.232 0.000 0.615) 8.255 15.927 ( -8.582 0.000 -3.030) 9.102 16.432 ( -12.859 0.000 2.479) 13.095 16.483 ( -14.785 0.000 7.732) 16.685 16.489 ( -3.882 0.000 5.322) 6.588 17.298 ( -9.248 0.000 -14.857) 17.500 17.948 ( -27.365 0.000 6.481) 28.122 18.099 ( 25.410 0.000 3.597) 25.664 18.333 ( -19.043 0.000 -0.621) 19.053 19.228 ( 39.725 0.000 -20.458) 44.684 19.405 ( 22.818 0.000 1.238) 22.851 19.665 ( 56.035 0.000 -42.324) 70.223 22.090 ( -1.149 0.000 3.598) 3.777 22.345 ( -7.201 0.000 -2.410) 7.593 23.119 ( -34.404 0.000 27.756) 44.205 23.411 ( -14.356 0.000 0.474) 14.363 ======================= Grid point 101 (33/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 36.332 0.000 14.313) 39.050 1.856 ( 37.806 0.000 9.234) 38.917 3.035 ( 19.260 0.000 -18.091) 26.424 3.382 ( 2.361 0.000 -28.571) 28.668 3.382 ( 60.320 0.000 33.591) 69.043 3.806 ( 23.685 0.000 0.173) 23.685 3.862 ( 32.342 0.000 -0.491) 32.345 4.534 ( -5.620 0.000 18.648) 19.476 4.569 ( 13.250 0.000 15.018) 20.028 4.662 ( -5.901 0.000 3.296) 6.760 4.989 ( -5.015 0.000 -9.951) 11.143 5.245 ( 2.827 0.000 -7.233) 7.766 5.334 ( -16.885 0.000 -3.409) 17.226 5.428 ( 10.762 0.000 -9.841) 14.583 5.588 ( -3.670 0.000 3.746) 5.244 5.978 ( 24.782 0.000 25.542) 35.588 6.202 ( 16.354 0.000 -25.478) 30.275 6.629 ( -6.432 0.000 4.159) 7.659 6.862 ( -8.776 0.000 -8.093) 11.938 7.200 ( -6.858 0.000 8.456) 10.887 7.378 ( 12.027 0.000 1.794) 12.160 7.766 ( 11.553 0.000 -6.343) 13.180 7.910 ( 10.088 0.000 -19.495) 21.950 8.216 ( 5.036 0.000 -14.847) 15.678 8.535 ( 3.737 0.000 16.263) 16.686 8.699 ( 5.816 0.000 0.077) 5.816 8.883 ( -5.165 0.000 2.361) 5.679 9.015 ( -6.184 0.000 4.030) 7.381 9.080 ( 13.624 0.000 1.246) 13.681 9.312 ( 3.287 0.000 14.893) 15.251 9.314 ( 2.849 0.000 13.777) 14.069 9.514 ( -9.291 0.000 -0.829) 9.328 9.590 ( 10.838 0.000 1.191) 10.904 9.740 ( 17.176 0.000 3.416) 17.512 9.911 ( -4.571 0.000 2.312) 5.122 9.985 ( -14.832 0.000 -7.513) 16.626 10.194 ( 13.655 0.000 -3.798) 14.173 10.629 ( 11.666 0.000 -7.195) 13.706 10.690 ( -4.960 0.000 13.301) 14.196 11.023 ( -3.675 0.000 8.033) 8.834 11.080 ( -7.574 0.000 6.146) 9.754 11.164 ( 2.060 0.000 -4.326) 4.792 11.213 ( 2.981 0.000 -1.325) 3.263 11.650 ( 2.327 0.000 8.144) 8.470 11.910 ( -1.245 0.000 -8.037) 8.133 12.699 ( 0.585 0.000 -21.592) 21.600 13.353 ( -2.021 0.000 4.456) 4.893 13.515 ( 8.467 0.000 -5.596) 10.150 13.673 ( 13.578 0.000 9.189) 16.395 14.106 ( -5.851 0.000 1.005) 5.936 14.154 ( -10.833 0.000 0.735) 10.858 14.269 ( 1.201 0.000 -1.426) 1.864 15.027 ( -0.617 0.000 1.895) 1.993 15.044 ( -0.911 0.000 0.074) 0.914 15.330 ( -8.438 0.000 7.009) 10.969 15.558 ( -17.258 0.000 -0.416) 17.263 15.583 ( -10.893 0.000 -0.744) 10.919 15.731 ( -4.553 0.000 -4.832) 6.639 16.241 ( -7.136 0.000 0.637) 7.165 16.361 ( -1.599 0.000 -1.364) 2.101 16.395 ( -5.449 0.000 3.657) 6.563 17.044 ( -16.710 0.000 -13.915) 21.746 17.434 ( -24.120 0.000 6.793) 25.059 17.721 ( -30.691 0.000 -2.230) 30.772 18.869 ( 39.200 0.000 8.445) 40.099 19.825 ( 27.317 0.000 -3.608) 27.554 19.839 ( 22.168 0.000 2.359) 22.293 20.472 ( 27.866 0.000 -42.121) 50.504 22.057 ( -2.224 0.000 1.008) 2.442 22.141 ( -13.840 0.000 -0.853) 13.866 22.589 ( -21.047 0.000 24.968) 32.655 23.027 ( -24.666 0.000 -0.021) 24.666 ======================= Grid point 102 (34/90) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 36.194 0.000 8.305) 37.135 2.575 ( 36.118 0.000 -1.327) 36.143 3.429 ( 21.649 0.000 -9.528) 23.653 3.445 ( 5.131 0.000 -19.309) 19.979 4.070 ( -3.731 0.000 2.351) 4.410 4.300 ( 30.058 0.000 3.772) 30.294 4.430 ( -1.119 0.000 13.458) 13.504 4.599 ( 11.731 0.000 -3.617) 12.276 4.680 ( 7.047 0.000 5.466) 8.918 4.701 ( 23.078 0.000 5.497) 23.724 4.944 ( 6.673 0.000 9.616) 11.704 5.032 ( -12.057 0.000 1.545) 12.156 5.400 ( 12.568 0.000 5.121) 13.572 5.616 ( 10.873 0.000 -6.690) 12.766 5.627 ( 7.966 0.000 -4.136) 8.976 6.319 ( -1.643 0.000 10.641) 10.767 6.398 ( 0.853 0.000 -7.697) 7.744 6.657 ( 21.080 0.000 14.477) 25.572 6.752 ( 2.112 0.000 1.664) 2.688 7.198 ( 7.705 0.000 -10.204) 12.786 7.661 ( 14.412 0.000 0.109) 14.412 7.883 ( -8.909 0.000 -3.717) 9.653 7.977 ( 10.001 0.000 -5.112) 11.232 8.243 ( -3.427 0.000 -20.397) 20.683 8.644 ( -16.078 0.000 -3.281) 16.409 8.663 ( 5.693 0.000 9.281) 10.888 8.767 ( -4.580 0.000 -10.740) 11.676 8.903 ( -0.686 0.000 1.474) 1.625 9.194 ( -1.929 0.000 2.609) 3.244 9.257 ( -15.355 0.000 4.970) 16.139 9.306 ( -2.756 0.000 6.461) 7.025 9.387 ( -4.771 0.000 1.055) 4.887 9.651 ( -4.778 0.000 14.051) 14.841 9.819 ( 12.592 0.000 -0.592) 12.606 9.948 ( 2.743 0.000 -1.494) 3.124 10.187 ( 21.386 0.000 1.067) 21.413 10.443 ( 5.894 0.000 0.952) 5.971 10.606 ( -4.402 0.000 11.948) 12.733 10.913 ( -7.257 0.000 4.366) 8.469 10.948 ( 23.654 0.000 -6.960) 24.656 10.973 ( -2.890 0.000 14.798) 15.077 11.191 ( 1.468 0.000 -3.898) 4.166 11.308 ( 4.704 0.000 -7.650) 8.981 11.871 ( 24.122 0.000 5.144) 24.665 11.989 ( 10.692 0.000 -8.727) 13.801 12.683 ( -2.092 0.000 -18.623) 18.741 13.277 ( -2.769 0.000 9.239) 9.645 13.685 ( 8.836 0.000 -5.302) 10.305 13.925 ( -10.832 0.000 4.129) 11.592 13.983 ( -6.256 0.000 2.422) 6.708 14.038 ( 20.627 0.000 3.035) 20.849 14.328 ( 4.488 0.000 -3.443) 5.657 14.881 ( -20.844 0.000 -1.229) 20.880 14.910 ( -16.099 0.000 0.161) 16.100 15.157 ( -8.103 0.000 3.320) 8.757 15.226 ( -19.213 0.000 0.937) 19.236 15.310 ( -3.468 0.000 7.799) 8.535 15.775 ( 4.984 0.000 -4.557) 6.753 16.115 ( -7.286 0.000 -0.428) 7.298 16.300 ( -3.763 0.000 1.959) 4.243 16.348 ( -1.436 0.000 -5.591) 5.773 16.701 ( -16.176 0.000 -7.420) 17.797 17.050 ( -15.993 0.000 0.595) 16.005 17.124 ( -30.393 0.000 -0.755) 30.402 19.616 ( 37.618 0.000 8.841) 38.643 20.266 ( 22.531 0.000 2.892) 22.716 20.307 ( 22.681 0.000 -0.284) 22.683 20.845 ( 12.717 0.000 -23.951) 27.118 21.818 ( -19.420 0.000 1.535) 19.480 22.007 ( -2.889 0.000 -3.053) 4.203 22.264 ( -13.608 0.000 11.640) 17.907 22.494 ( -29.930 0.000 0.532) 29.934 ======================= Grid point 103 (35/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 29.459 0.000 0.226) 29.460 3.229 ( 31.562 0.000 -8.571) 32.705 3.618 ( 13.902 0.000 -3.449) 14.324 3.828 ( -16.292 0.000 0.401) 16.297 3.853 ( 21.450 0.000 -1.880) 21.532 4.268 ( -19.930 0.000 -15.954) 25.529 4.322 ( -12.217 0.000 12.086) 17.185 4.583 ( -7.408 0.000 0.280) 7.413 4.747 ( -0.397 0.000 5.037) 5.053 4.925 ( -3.833 0.000 10.240) 10.934 5.110 ( 19.355 0.000 10.848) 22.187 5.315 ( 16.352 0.000 0.166) 16.352 5.650 ( 10.120 0.000 13.188) 16.623 5.802 ( 14.130 0.000 1.345) 14.194 6.030 ( -1.239 0.000 -0.657) 1.402 6.304 ( 34.672 0.000 -2.451) 34.758 6.360 ( -5.129 0.000 -4.635) 6.913 6.845 ( 8.157 0.000 8.988) 12.138 7.197 ( 28.000 0.000 12.095) 30.501 7.426 ( -1.335 0.000 -16.470) 16.524 7.589 ( 2.707 0.000 -5.163) 5.830 8.013 ( 10.236 0.000 4.031) 11.001 8.033 ( -22.737 0.000 -19.130) 29.714 8.143 ( 2.704 0.000 -8.317) 8.745 8.213 ( -14.875 0.000 -0.480) 14.883 8.560 ( -5.772 0.000 -10.728) 12.182 8.817 ( -20.186 0.000 12.930) 23.972 8.850 ( 2.344 0.000 -0.697) 2.446 8.989 ( -1.573 0.000 -7.179) 7.350 9.076 ( -5.859 0.000 4.503) 7.390 9.174 ( -9.544 0.000 -3.821) 10.281 9.234 ( -4.748 0.000 1.300) 4.923 9.823 ( 15.079 0.000 20.452) 25.410 10.055 ( 7.879 0.000 6.306) 10.092 10.065 ( 12.578 0.000 -1.483) 12.665 10.378 ( 0.243 0.000 -1.525) 1.544 10.410 ( -6.989 0.000 10.484) 12.600 10.455 ( -11.213 0.000 5.393) 12.442 10.815 ( -1.942 0.000 7.549) 7.795 10.915 ( -3.820 0.000 13.500) 14.030 11.228 ( 2.593 0.000 -6.045) 6.577 11.338 ( -1.339 0.000 -9.990) 10.079 11.521 ( 30.552 0.000 -10.813) 32.409 12.208 ( 2.368 0.000 -21.667) 21.796 12.563 ( 43.782 0.000 1.494) 43.808 12.737 ( 16.124 0.000 0.239) 16.126 13.324 ( 8.131 0.000 7.387) 10.985 13.676 ( -14.457 0.000 7.485) 16.279 13.829 ( 1.715 0.000 -2.923) 3.389 13.864 ( -3.852 0.000 -1.138) 4.017 14.291 ( -35.175 0.000 0.415) 35.178 14.391 ( -28.179 0.000 -1.511) 28.219 14.459 ( 4.727 0.000 -0.854) 4.804 14.482 ( 22.666 0.000 -0.865) 22.682 14.932 ( -13.556 0.000 3.826) 14.086 15.041 ( -6.213 0.000 -0.029) 6.214 15.349 ( 6.268 0.000 9.662) 11.517 15.884 ( 6.263 0.000 -4.594) 7.767 15.906 ( -15.509 0.000 -0.520) 15.518 16.218 ( -11.101 0.000 -5.758) 12.505 16.270 ( 0.929 0.000 1.476) 1.744 16.556 ( 0.832 0.000 -5.254) 5.319 16.612 ( -20.714 0.000 1.671) 20.782 16.799 ( -10.507 0.000 -3.894) 11.205 20.298 ( 32.868 0.000 7.118) 33.630 20.690 ( 16.796 0.000 1.840) 16.896 20.722 ( 24.867 0.000 1.824) 24.934 20.991 ( 2.491 0.000 -8.718) 9.067 21.406 ( -22.708 0.000 5.040) 23.260 21.899 ( -31.355 0.000 2.297) 31.439 21.956 ( -1.991 0.000 -7.497) 7.757 22.052 ( -8.254 0.000 -1.044) 8.319 ======================= Grid point 104 (36/90) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( -19.217 0.000 -4.185) 19.667 3.490 ( 19.217 0.000 -4.185) 19.667 3.785 ( -25.847 0.000 -12.350) 28.646 3.785 ( 25.847 0.000 -12.350) 28.646 3.980 ( -21.276 0.000 8.591) 22.945 3.980 ( 21.276 0.000 8.591) 22.945 4.292 ( -19.255 0.000 0.207) 19.256 4.292 ( 19.255 0.000 0.207) 19.256 4.801 ( -6.206 0.000 11.432) 13.008 4.801 ( 6.206 0.000 11.432) 13.008 5.418 ( -7.154 0.000 5.008) 8.733 5.418 ( 7.154 0.000 5.008) 8.733 5.818 ( -9.947 0.000 4.313) 10.841 5.818 ( 9.947 0.000 4.313) 10.841 6.137 ( -17.064 0.000 -0.340) 17.068 6.137 ( 17.064 0.000 -0.340) 17.068 7.109 ( -18.011 0.000 1.869) 18.108 7.109 ( 18.011 0.000 1.869) 18.108 7.171 ( -40.603 0.000 -5.122) 40.924 7.171 ( 40.603 0.000 -5.122) 40.924 7.850 ( -17.340 0.000 -4.376) 17.883 7.850 ( 17.340 0.000 -4.376) 17.883 7.920 ( -17.017 0.000 -11.186) 20.364 7.920 ( 17.017 0.000 -11.186) 20.364 8.401 ( -17.519 0.000 4.327) 18.045 8.401 ( 17.519 0.000 4.327) 18.045 8.676 ( -14.211 0.000 -1.380) 14.278 8.676 ( 14.211 0.000 -1.380) 14.278 9.041 ( -4.823 0.000 -4.345) 6.492 9.041 ( 4.823 0.000 -4.345) 6.492 9.124 ( -6.386 0.000 1.113) 6.482 9.124 ( 6.386 0.000 1.113) 6.482 10.119 ( -11.968 0.000 23.110) 26.024 10.119 ( 11.968 0.000 23.110) 26.024 10.276 ( -5.451 0.000 -0.467) 5.471 10.276 ( 5.451 0.000 -0.467) 5.471 10.281 ( -9.069 0.000 -1.750) 9.237 10.281 ( 9.069 0.000 -1.750) 9.237 10.837 ( -3.514 0.000 11.048) 11.593 10.837 ( 3.514 0.000 11.048) 11.593 11.287 ( -3.300 0.000 -8.493) 9.112 11.287 ( 3.300 0.000 -8.493) 9.112 12.004 ( -19.138 0.000 -19.106) 27.042 12.004 ( 19.138 0.000 -19.106) 27.042 13.255 ( -26.718 0.000 7.540) 27.761 13.255 ( 26.718 0.000 7.540) 27.761 13.406 ( -39.557 0.000 -0.080) 39.557 13.406 ( 39.557 0.000 -0.080) 39.557 13.663 ( -24.056 0.000 2.831) 24.222 13.663 ( 24.056 0.000 2.831) 24.222 13.970 ( -9.164 0.000 -2.653) 9.540 13.970 ( 9.164 0.000 -2.653) 9.540 14.670 ( -13.162 0.000 2.241) 13.351 14.670 ( 13.162 0.000 2.241) 13.351 14.858 ( -14.364 0.000 -0.906) 14.393 14.858 ( 14.364 0.000 -0.906) 14.393 15.564 ( -16.511 0.000 4.316) 17.066 15.564 ( 16.511 0.000 4.316) 17.066 16.023 ( -8.488 0.000 -4.793) 9.748 16.023 ( 8.488 0.000 -4.793) 9.748 16.349 ( -7.823 0.000 2.059) 8.089 16.349 ( 7.823 0.000 2.059) 8.089 16.636 ( -6.484 0.000 -5.399) 8.438 16.636 ( 6.484 0.000 -5.399) 8.438 20.863 ( -24.217 0.000 2.511) 24.347 20.863 ( 24.217 0.000 2.511) 24.347 20.936 ( -8.198 0.000 0.596) 8.219 20.936 ( 8.198 0.000 0.596) 8.219 21.316 ( -26.900 0.000 6.059) 27.574 21.316 ( 26.900 0.000 6.059) 27.574 21.952 ( -2.183 0.000 -8.424) 8.702 21.952 ( 2.183 0.000 -8.424) 8.702 ======================= Grid point 110 (37/90) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 27.103 34.737) 44.059 1.333 ( 0.000 31.832 30.835) 44.318 1.902 ( 0.000 40.176 45.240) 60.504 2.807 ( 0.000 17.297 -19.229) 25.864 3.373 ( 0.000 22.298 6.660) 23.271 3.500 ( 0.000 28.066 -2.770) 28.203 3.516 ( 0.000 11.571 -33.696) 35.627 4.372 ( 0.000 11.102 16.632) 19.997 4.596 ( 0.000 0.860 16.202) 16.225 4.849 ( 0.000 -8.880 1.687) 9.039 4.964 ( 0.000 -2.382 3.131) 3.934 5.117 ( 0.000 -1.047 -10.096) 10.150 5.194 ( 0.000 -9.914 5.566) 11.370 5.295 ( 0.000 -5.370 10.626) 11.906 5.643 ( 0.000 2.579 -2.568) 3.639 5.873 ( 0.000 7.951 -38.805) 39.611 6.244 ( 0.000 23.347 -6.542) 24.246 7.056 ( 0.000 21.001 4.077) 21.393 7.109 ( 0.000 -1.528 -27.160) 27.203 7.120 ( 0.000 -0.364 0.886) 0.958 7.257 ( 0.000 16.221 -14.447) 21.721 7.321 ( 0.000 -9.537 -6.405) 11.488 7.677 ( 0.000 -0.723 7.464) 7.499 8.167 ( 0.000 8.502 -7.862) 11.580 8.380 ( 0.000 -0.025 11.009) 11.009 8.542 ( 0.000 0.532 17.054) 17.062 8.663 ( 0.000 0.248 12.314) 12.316 8.884 ( 0.000 -3.204 7.124) 7.811 9.112 ( 0.000 -1.485 15.851) 15.920 9.234 ( 0.000 -13.001 7.702) 15.111 9.254 ( 0.000 -0.090 0.077) 0.118 9.462 ( 0.000 -1.562 2.666) 3.090 9.596 ( 0.000 4.321 13.065) 13.761 9.733 ( 0.000 1.563 4.955) 5.195 9.738 ( 0.000 12.195 13.864) 18.465 10.040 ( 0.000 -3.789 -10.388) 11.057 10.322 ( 0.000 -10.532 -7.288) 12.808 10.342 ( 0.000 -7.202 2.695) 7.689 10.847 ( 0.000 0.586 11.045) 11.060 11.020 ( 0.000 1.067 -0.991) 1.456 11.196 ( 0.000 10.727 3.212) 11.197 11.229 ( 0.000 0.962 1.744) 1.992 11.397 ( 0.000 9.066 1.969) 9.277 11.681 ( 0.000 0.525 7.792) 7.809 12.023 ( 0.000 -1.178 -9.724) 9.795 12.582 ( 0.000 -1.290 -16.718) 16.768 12.967 ( 0.000 -2.353 1.462) 2.770 13.564 ( 0.000 2.993 1.066) 3.177 13.825 ( 0.000 9.423 -12.300) 15.495 14.256 ( 0.000 7.200 -3.562) 8.033 14.291 ( 0.000 -4.831 -2.761) 5.564 14.356 ( 0.000 -3.277 -6.473) 7.255 14.983 ( 0.000 -3.663 7.222) 8.098 15.007 ( 0.000 -4.262 5.718) 7.132 15.496 ( 0.000 -9.462 0.371) 9.470 15.533 ( 0.000 -7.531 -1.695) 7.720 15.908 ( 0.000 1.951 1.664) 2.564 16.048 ( 0.000 2.285 -2.821) 3.630 16.426 ( 0.000 -9.010 5.296) 10.451 16.570 ( 0.000 -4.355 4.211) 6.058 17.071 ( 0.000 4.488 -3.785) 5.871 17.430 ( 0.000 3.149 -12.901) 13.280 17.753 ( 0.000 3.233 2.024) 3.814 18.249 ( 0.000 0.356 -1.682) 1.719 18.588 ( 0.000 18.198 -29.203) 34.409 18.642 ( 0.000 1.320 -8.648) 8.748 19.034 ( 0.000 -0.489 1.127) 1.228 19.078 ( 0.000 1.171 1.781) 2.132 22.073 ( 0.000 -2.685 5.138) 5.797 22.428 ( 0.000 1.230 -3.297) 3.519 22.586 ( 0.000 -48.100 54.931) 73.014 23.566 ( 0.000 -10.418 -4.038) 11.173 ======================= Grid point 111 (38/90) ======================= q-point: ( 0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 14.410 25.480 24.920) 38.443 1.565 ( 22.181 25.098 26.481) 42.698 2.514 ( 48.219 27.726 30.170) 63.277 2.928 ( 13.428 17.822 -14.460) 26.590 3.427 ( 2.066 12.089 -16.699) 20.718 3.607 ( 13.161 18.776 -7.578) 24.149 3.659 ( 15.204 24.606 -3.115) 29.091 4.427 ( 4.811 7.757 16.529) 18.882 4.623 ( 2.762 3.458 14.578) 15.235 4.807 ( -6.202 -4.139 2.495) 7.863 4.915 ( -1.495 -6.933 -3.337) 7.838 5.140 ( -3.394 -9.124 3.181) 10.242 5.204 ( 6.490 -0.769 -10.863) 12.677 5.454 ( 14.710 -7.538 16.916) 23.651 5.621 ( -2.384 4.244 -3.447) 5.964 5.959 ( 4.438 7.955 -29.165) 30.555 6.089 ( -8.369 19.444 -10.626) 23.686 6.961 ( -8.250 17.337 5.167) 19.883 7.103 ( -2.321 8.503 -8.367) 12.153 7.186 ( 5.241 0.727 -5.274) 7.470 7.326 ( 5.152 -0.909 -3.576) 6.337 7.487 ( 13.117 -5.889 -20.473) 25.017 7.600 ( -3.535 0.404 7.155) 7.991 8.188 ( 4.335 4.915 -6.567) 9.277 8.480 ( 6.917 0.381 16.629) 18.015 8.557 ( 3.465 1.997 6.650) 7.760 8.793 ( 11.766 -0.379 6.599) 13.495 8.890 ( -2.044 -4.243 7.911) 9.207 9.069 ( -3.593 -6.101 8.998) 11.450 9.199 ( -1.823 1.421 10.705) 10.952 9.311 ( 6.397 -6.818 5.550) 10.872 9.472 ( 4.982 2.310 9.216) 10.728 9.630 ( 1.839 5.379 2.453) 6.191 9.693 ( 1.487 13.971 3.477) 14.474 9.947 ( 9.304 1.107 3.176) 9.893 10.044 ( 2.205 -0.128 -7.959) 8.260 10.243 ( -8.897 -1.500 1.215) 9.104 10.383 ( 6.801 -8.579 -6.569) 12.768 10.821 ( -1.917 4.574 9.491) 10.709 11.043 ( 0.497 -0.296 -1.057) 1.205 11.167 ( -3.089 7.227 3.706) 8.689 11.234 ( 0.761 2.941 4.614) 5.524 11.373 ( -2.092 10.562 0.184) 10.769 11.690 ( 1.247 2.738 7.403) 7.991 11.974 ( -3.827 -0.071 -8.785) 9.583 12.663 ( 5.088 -0.148 -20.920) 21.530 13.034 ( 7.445 -6.971 2.541) 10.511 13.542 ( -2.041 2.292 0.534) 3.116 13.741 ( -4.962 8.368 -3.187) 10.238 14.173 ( -6.033 -2.407 1.288) 6.622 14.287 ( -4.384 0.545 -4.911) 6.606 14.354 ( 1.023 2.944 -2.484) 3.986 14.986 ( 0.615 -3.461 3.624) 5.049 14.995 ( -0.132 -3.320 5.772) 6.660 15.456 ( -5.252 -5.177 0.700) 7.408 15.522 ( 0.615 -9.153 -1.320) 9.268 15.820 ( -9.131 1.275 1.123) 9.288 15.954 ( -9.631 1.635 -2.969) 10.210 16.376 ( -5.558 -8.038 3.417) 10.352 16.394 ( -12.144 -3.537 2.818) 12.959 16.645 ( -18.949 10.817 3.386) 22.080 17.299 ( -10.470 0.254 -14.078) 17.546 17.903 ( -24.177 -3.831 5.022) 24.988 18.138 ( 14.078 2.709 2.786) 14.605 18.297 ( -11.233 -2.773 0.617) 11.587 19.267 ( 33.205 2.932 -16.611) 37.244 19.379 ( 22.442 -2.350 0.856) 22.580 19.636 ( 49.827 -2.537 -38.683) 63.131 22.057 ( -1.585 -3.213 4.707) 5.916 22.340 ( -8.655 -3.588 3.412) 9.971 22.493 ( -8.475 -32.186 40.566) 52.473 23.400 ( -15.953 -7.535 -3.168) 17.925 ======================= Grid point 112 (39/90) ======================= q-point: ( 0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 31.852 14.045 11.491) 36.659 2.106 ( 32.135 17.311 15.430) 39.628 3.146 ( 18.760 9.731 -20.223) 29.251 3.445 ( 1.087 6.414 -24.752) 25.593 3.638 ( 53.604 20.998 24.952) 62.745 3.970 ( 21.587 16.052 4.439) 27.265 4.067 ( 26.207 18.650 -1.754) 32.213 4.517 ( 4.417 2.043 17.997) 18.644 4.596 ( -9.805 1.316 6.647) 11.919 4.738 ( 3.975 4.976 4.933) 8.056 4.845 ( -7.915 -10.781 -3.394) 13.799 5.147 ( 6.753 -5.474 -4.753) 9.907 5.352 ( 7.191 -1.855 -6.474) 9.852 5.546 ( -4.918 10.719 -4.201) 12.520 5.766 ( -5.545 10.998 -6.002) 13.702 5.828 ( 16.426 -10.262 20.233) 28.009 6.268 ( 14.641 6.119 -20.200) 25.688 6.763 ( -12.064 10.254 3.425) 16.199 6.967 ( -12.338 5.672 2.562) 13.819 7.232 ( 1.075 3.822 1.558) 4.265 7.409 ( 10.075 2.979 1.248) 10.580 7.674 ( 8.426 -8.394 -2.997) 12.266 7.769 ( 11.183 -7.659 -19.755) 23.958 8.265 ( -0.897 1.666 -8.414) 8.625 8.564 ( 5.839 2.876 11.995) 13.647 8.681 ( 1.961 -3.615 1.841) 4.506 8.783 ( -5.462 -5.307 1.449) 7.752 8.978 ( -4.175 -3.711 3.220) 6.447 9.078 ( 14.141 -1.000 4.408) 14.846 9.181 ( -1.731 -4.854 11.252) 12.376 9.452 ( 6.673 4.821 2.436) 8.585 9.602 ( -5.227 7.310 0.892) 9.031 9.657 ( 4.468 -3.259 0.408) 5.545 9.753 ( 13.662 10.669 9.840) 19.933 10.071 ( -1.482 15.510 3.763) 16.029 10.088 ( -0.211 8.872 -5.352) 10.363 10.215 ( 18.018 2.228 -2.774) 18.366 10.597 ( 14.493 -2.659 -6.225) 15.996 10.791 ( -0.180 8.853 10.639) 13.842 10.999 ( -4.816 -2.499 0.517) 5.450 11.086 ( -5.341 6.288 6.705) 10.632 11.252 ( 1.076 3.975 5.100) 6.555 11.338 ( -1.086 11.927 -2.749) 12.288 11.759 ( 7.258 8.778 5.541) 12.666 11.923 ( -0.454 1.985 -7.848) 8.108 12.714 ( 0.847 1.360 -20.228) 20.292 13.201 ( 5.986 -9.643 -0.275) 11.353 13.507 ( -0.235 -2.236 -0.411) 2.285 13.733 ( 5.150 1.418 3.303) 6.281 14.027 ( -7.867 -3.300 6.755) 10.882 14.192 ( -5.060 1.492 -3.268) 6.206 14.367 ( 0.806 7.716 -2.454) 8.137 14.982 ( -2.045 -4.602 1.450) 5.240 15.010 ( 0.905 -2.629 2.649) 3.840 15.331 ( -6.929 -1.008 4.804) 8.491 15.529 ( -4.632 -6.589 -0.392) 8.063 15.558 ( -16.908 0.332 0.043) 16.912 15.711 ( -11.411 -0.876 -4.018) 12.129 16.187 ( -7.643 -4.553 1.090) 8.963 16.289 ( -4.078 -7.201 1.085) 8.347 16.436 ( -5.851 4.028 0.375) 7.113 17.030 ( -17.547 -1.321 -13.667) 22.280 17.398 ( -24.312 -3.390 6.320) 25.348 17.682 ( -30.457 -3.635 -2.352) 30.764 18.881 ( 37.782 1.165 8.284) 38.697 19.799 ( 22.389 -3.320 1.636) 22.693 19.831 ( 25.887 0.051 -2.856) 26.044 20.411 ( 28.996 -5.796 -40.773) 50.366 22.011 ( -3.403 -5.123 3.839) 7.249 22.123 ( -13.343 -3.531 3.911) 14.346 22.295 ( -11.526 -17.436 24.140) 31.931 23.000 ( -24.607 -5.118 -2.259) 25.235 ======================= Grid point 113 (40/90) ======================= q-point: ( 0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 34.498 7.387 5.660) 35.731 2.747 ( 33.439 12.058 6.110) 36.068 3.439 ( 7.335 2.657 -22.269) 23.596 3.567 ( 16.744 9.249 -10.496) 21.819 4.160 ( -6.485 7.177 4.576) 10.701 4.412 ( 9.531 2.356 10.104) 14.088 4.506 ( 7.240 7.547 -2.804) 10.828 4.546 ( 11.578 -2.075 5.944) 13.179 4.628 ( -2.496 -0.653 -0.570) 2.642 4.781 ( 14.902 8.509 10.826) 20.289 4.868 ( 20.217 5.582 5.678) 21.729 5.378 ( -3.559 12.624 -2.569) 13.365 5.417 ( 17.576 6.831 3.823) 19.240 5.465 ( 6.066 -7.680 -4.296) 10.688 5.744 ( 4.650 4.891 -1.150) 6.846 6.153 ( 7.066 -14.196 12.943) 20.469 6.475 ( 4.460 6.345 -6.187) 9.921 6.585 ( 0.852 -1.464 2.668) 3.160 6.816 ( 0.462 0.868 11.557) 11.599 7.338 ( 10.741 11.803 -10.296) 18.992 7.663 ( 14.479 -3.222 -0.246) 14.836 7.737 ( -6.431 -8.797 -6.638) 12.760 7.920 ( 7.100 -7.579 -6.799) 12.413 8.163 ( -6.059 -4.084 -10.407) 12.716 8.517 ( -16.044 -12.466 -1.495) 20.373 8.632 ( -7.365 -5.142 -1.767) 9.155 8.713 ( 1.813 4.179 5.084) 6.826 8.939 ( -1.096 -2.843 -1.842) 3.561 9.137 ( -1.498 1.817 5.424) 5.913 9.280 ( 5.984 2.931 1.656) 6.866 9.381 ( -14.016 -0.073 -3.350) 14.411 9.456 ( -9.211 5.396 0.261) 10.678 9.718 ( 9.067 8.966 15.008) 19.694 10.088 ( 6.434 17.073 3.488) 18.575 10.109 ( 5.414 17.288 1.057) 18.147 10.280 ( 23.992 7.245 2.186) 25.158 10.537 ( 7.602 9.391 -1.801) 12.216 10.723 ( 1.120 9.494 6.363) 11.484 10.896 ( -3.461 1.247 3.562) 5.120 10.961 ( -6.492 1.018 13.076) 14.634 11.041 ( 23.226 4.826 -5.690) 24.395 11.293 ( 3.677 4.553 -2.031) 6.195 11.333 ( 0.548 10.622 -3.237) 11.118 11.985 ( 9.406 5.227 -5.292) 11.991 12.047 ( 22.867 9.572 -0.794) 24.802 12.719 ( -0.213 3.042 -16.987) 17.259 13.199 ( -2.305 -6.099 6.607) 9.282 13.540 ( 0.577 -12.205 -6.061) 13.639 13.844 ( -0.023 -4.014 8.614) 9.504 13.999 ( 7.232 0.713 -0.632) 7.294 14.125 ( 2.560 3.863 2.376) 5.208 14.395 ( 2.231 5.868 -4.180) 7.542 14.844 ( -15.740 -3.192 1.197) 16.105 14.936 ( -14.413 1.580 -2.040) 14.642 15.158 ( -11.051 0.494 4.126) 11.806 15.214 ( -19.438 -1.070 1.766) 19.547 15.286 ( -4.604 -2.572 6.701) 8.527 15.706 ( 4.988 -6.388 -4.096) 9.081 16.065 ( -6.486 -4.723 0.081) 8.023 16.220 ( -2.840 -7.202 1.434) 7.873 16.361 ( -3.622 0.794 -5.204) 6.389 16.667 ( -17.186 -3.149 -7.503) 19.015 16.990 ( -20.362 -5.374 1.418) 21.107 17.109 ( -26.147 -1.620 -1.754) 26.255 19.600 ( 36.338 -1.322 8.747) 37.399 20.219 ( 21.987 -4.311 3.048) 22.612 20.297 ( 21.999 -0.981 -0.484) 22.026 20.813 ( 14.225 -3.389 -25.329) 29.247 21.804 ( -18.574 -2.051 2.926) 18.915 21.942 ( -5.452 -7.088 0.819) 8.979 22.074 ( -10.912 -11.626 11.171) 19.469 22.488 ( -27.468 -3.061 -1.263) 27.667 ======================= Grid point 114 (41/90) ======================= q-point: ( 0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( 30.219 4.661 -0.037) 30.576 3.362 ( 29.557 9.101 -0.908) 30.940 3.590 ( 11.021 -0.925 -6.987) 13.082 3.892 ( -12.140 5.055 2.509) 13.388 3.947 ( 15.092 7.721 -6.405) 18.122 4.252 ( -16.692 -0.232 -3.404) 17.037 4.396 ( -10.281 2.568 4.097) 11.362 4.579 ( -10.076 1.924 -3.624) 10.880 4.723 ( 3.415 -2.448 8.200) 9.214 4.971 ( 1.502 8.160 6.690) 10.658 5.223 ( 13.172 3.337 0.302) 13.591 5.377 ( 4.860 7.863 8.351) 12.457 5.526 ( 7.487 -7.747 9.272) 14.214 5.885 ( 7.701 -0.093 -1.268) 7.805 6.036 ( 8.325 3.885 2.546) 9.533 6.242 ( 30.668 -3.010 1.026) 30.832 6.425 ( -3.030 4.440 -4.048) 6.729 6.797 ( 11.955 -4.361 9.495) 15.877 7.040 ( 21.213 -10.248 3.781) 23.860 7.411 ( -19.145 -5.758 -4.115) 20.411 7.640 ( 12.667 4.380 -11.670) 17.772 7.833 ( -3.771 -13.504 -12.477) 18.768 8.054 ( 1.869 -4.427 1.896) 5.166 8.105 ( -3.417 -2.964 -5.678) 7.260 8.113 ( -14.461 -3.829 -1.843) 15.072 8.430 ( -7.691 -8.854 -0.684) 11.747 8.712 ( -3.626 -0.967 4.067) 5.534 8.936 ( 1.392 -0.414 -2.081) 2.537 8.987 ( -16.850 5.628 -4.735) 18.386 9.207 ( 1.448 8.804 -0.081) 8.923 9.276 ( -7.945 7.298 -0.176) 10.789 9.355 ( 0.256 7.954 -0.054) 7.959 9.932 ( 12.210 6.149 17.218) 21.985 10.177 ( 4.739 10.782 10.197) 15.579 10.260 ( 7.646 16.484 0.976) 18.198 10.506 ( -3.977 12.045 1.939) 12.832 10.570 ( 4.315 16.113 -0.117) 16.681 10.643 ( -10.480 15.545 6.914) 19.982 10.867 ( 0.485 6.719 6.762) 9.545 10.915 ( 0.035 0.757 12.015) 12.039 11.330 ( 1.960 8.416 -7.583) 11.496 11.356 ( 1.304 2.917 -8.304) 8.898 11.587 ( 27.705 6.682 -9.804) 30.138 12.187 ( 5.387 -0.483 -18.534) 19.307 12.662 ( 32.176 8.276 0.453) 33.226 12.777 ( 17.556 3.644 0.344) 17.933 13.249 ( 6.574 -7.030 4.616) 10.675 13.462 ( -6.115 -12.088 6.368) 14.968 13.869 ( 2.721 0.648 -3.704) 4.641 13.963 ( -6.504 4.692 0.071) 8.020 14.299 ( -29.554 0.899 -0.576) 29.573 14.451 ( -19.000 2.637 -2.258) 19.315 14.458 ( 7.627 -0.281 1.193) 7.725 14.484 ( 4.393 3.284 -1.221) 5.619 14.900 ( -13.375 -2.904 4.213) 14.321 15.020 ( -7.087 -2.029 0.296) 7.378 15.326 ( 6.578 -2.163 9.351) 11.636 15.807 ( 2.331 -6.126 -2.797) 7.126 15.887 ( -10.232 -2.942 -1.371) 10.735 16.190 ( -11.971 -3.117 -4.739) 13.247 16.201 ( 0.479 -6.154 0.988) 6.251 16.494 ( -7.020 -6.097 -3.814) 10.050 16.574 ( -12.107 -3.207 0.366) 12.530 16.782 ( -11.428 -1.720 -4.610) 12.443 20.260 ( 31.548 -3.518 7.209) 32.552 20.659 ( 19.764 -4.199 1.962) 20.300 20.666 ( 19.737 -3.860 2.069) 20.217 20.987 ( 3.985 -0.805 -10.579) 11.333 21.405 ( -21.757 -0.116 4.482) 22.214 21.728 ( -20.682 -12.781 5.175) 24.857 21.917 ( -4.334 -4.303 -6.554) 8.958 22.039 ( -15.043 -2.697 -2.263) 15.450 ======================= Grid point 115 (42/90) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( -19.347 4.542 -3.796) 20.232 3.547 ( 19.347 4.542 -3.796) 20.232 3.806 ( -9.185 0.346 -1.501) 9.314 3.806 ( 9.185 0.346 -1.501) 9.314 4.024 ( -10.632 6.197 1.028) 12.349 4.024 ( 10.632 6.197 1.028) 12.349 4.341 ( -13.703 2.729 -3.036) 14.299 4.341 ( 13.703 2.729 -3.036) 14.299 4.827 ( -9.009 3.068 11.103) 14.624 4.827 ( 9.009 3.068 11.103) 14.624 5.423 ( -3.933 -1.386 3.128) 5.213 5.423 ( 3.933 -1.386 3.128) 5.213 5.747 ( -14.163 -3.878 5.696) 15.750 5.747 ( 14.163 -3.878 5.696) 15.750 6.235 ( -13.162 7.954 -0.991) 15.411 6.235 ( 13.162 7.954 -0.991) 15.411 6.945 ( -26.231 -11.655 -2.919) 28.851 6.945 ( 26.231 -11.655 -2.919) 28.851 7.176 ( -18.775 -3.463 -0.363) 19.096 7.176 ( 18.775 -3.463 -0.363) 19.096 7.711 ( -9.048 -8.195 -4.216) 12.915 7.711 ( 9.048 -8.195 -4.216) 12.915 7.910 ( -8.284 -4.845 -6.473) 11.575 7.910 ( 8.284 -4.845 -6.473) 11.575 8.344 ( -10.621 -1.814 6.390) 12.527 8.344 ( 10.621 -1.814 6.390) 12.527 8.692 ( -8.032 1.564 -7.546) 11.131 8.692 ( 8.032 1.564 -7.546) 11.131 9.063 ( -9.182 5.679 1.178) 10.860 9.063 ( 9.182 5.679 1.178) 10.860 9.314 ( -4.110 11.099 -2.618) 12.122 9.314 ( 4.110 11.099 -2.618) 12.122 10.149 ( -8.780 1.155 16.875) 19.058 10.149 ( 8.780 1.155 16.875) 19.058 10.418 ( -10.771 16.267 4.649) 20.056 10.418 ( 10.771 16.267 4.649) 20.056 10.537 ( -5.162 19.564 -0.176) 20.234 10.537 ( 5.162 19.564 -0.176) 20.234 10.895 ( -1.853 6.966 8.994) 11.526 10.895 ( 1.853 6.966 8.994) 11.526 11.355 ( -0.941 6.282 -8.717) 10.785 11.355 ( 0.941 6.282 -8.717) 10.785 12.039 ( -17.603 3.304 -18.867) 26.014 12.039 ( 17.603 3.304 -18.867) 26.014 13.089 ( -20.064 -9.417 10.073) 24.345 13.089 ( 20.064 -9.417 10.073) 24.345 13.511 ( -36.709 2.830 -3.260) 36.962 13.511 ( 36.709 2.830 -3.260) 36.962 13.681 ( -18.136 3.557 4.222) 18.957 13.681 ( 18.136 3.557 4.222) 18.957 14.029 ( -9.278 4.900 -4.200) 11.302 14.029 ( 9.278 4.900 -4.200) 11.302 14.656 ( -11.612 -1.225 2.267) 11.895 14.656 ( 11.612 -1.225 2.267) 11.895 14.821 ( -14.943 -3.463 -0.245) 15.341 14.821 ( 14.943 -3.463 -0.245) 15.341 15.540 ( -15.927 -2.176 4.400) 16.666 15.540 ( 15.927 -2.176 4.400) 16.666 15.975 ( -9.109 -4.577 -4.335) 11.078 15.975 ( 9.109 -4.577 -4.335) 11.078 16.281 ( -7.570 -6.472 2.382) 10.240 16.281 ( 7.570 -6.472 2.382) 10.240 16.611 ( -6.506 -2.357 -5.856) 9.065 16.611 ( 6.506 -2.357 -5.856) 9.065 20.759 ( -14.676 -6.930 3.719) 16.651 20.759 ( 14.676 -6.930 3.719) 16.651 20.988 ( -1.660 1.289 -2.447) 3.225 20.988 ( 1.660 1.289 -2.447) 3.225 21.249 ( -21.729 -5.250 7.724) 23.652 21.249 ( 21.729 -5.250 7.724) 23.652 21.895 ( -2.289 -5.153 -7.997) 9.785 21.895 ( 2.289 -5.153 -7.997) 9.785 ======================= Grid point 121 (43/90) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.000 25.445 35.244) 43.469 1.914 ( 0.000 33.595 23.577) 41.043 2.879 ( 0.000 42.176 8.085) 42.944 3.334 ( 0.000 31.759 -13.346) 34.449 3.854 ( 0.000 19.805 -31.255) 37.002 3.978 ( 0.000 32.669 9.942) 34.149 4.223 ( 0.000 36.603 -2.103) 36.663 4.551 ( 0.000 -6.791 3.950) 7.856 4.575 ( 0.000 -16.423 1.099) 16.460 4.652 ( 0.000 14.643 9.782) 17.610 4.817 ( 0.000 -7.192 5.584) 9.105 4.978 ( 0.000 -9.460 10.347) 14.020 5.182 ( 0.000 5.659 14.897) 15.936 5.312 ( 0.000 7.139 -8.053) 10.762 5.767 ( 0.000 8.529 -2.298) 8.833 6.097 ( 0.000 12.262 -30.713) 33.070 6.685 ( 0.000 13.080 -17.850) 22.129 6.933 ( 0.000 -10.375 -33.486) 35.056 7.099 ( 0.000 -3.006 2.256) 3.758 7.156 ( 0.000 0.718 -3.198) 3.278 7.517 ( 0.000 17.338 12.990) 21.665 7.686 ( 0.000 1.340 14.824) 14.884 7.705 ( 0.000 22.655 -4.481) 23.094 8.317 ( 0.000 3.917 -8.504) 9.362 8.350 ( 0.000 -7.592 15.160) 16.954 8.536 ( 0.000 4.492 12.717) 13.487 8.785 ( 0.000 -7.508 11.506) 13.738 8.790 ( 0.000 10.105 11.289) 15.150 8.902 ( 0.000 -15.805 5.200) 16.638 9.096 ( 0.000 2.197 4.157) 4.702 9.230 ( 0.000 -2.432 3.091) 3.933 9.380 ( 0.000 -6.047 1.599) 6.255 9.744 ( 0.000 1.157 13.224) 13.274 9.773 ( 0.000 1.583 -0.302) 1.611 9.857 ( 0.000 -2.960 -6.116) 6.794 10.035 ( 0.000 -15.425 -5.719) 16.451 10.041 ( 0.000 5.779 10.283) 11.796 10.634 ( 0.000 36.870 0.564) 36.875 11.048 ( 0.000 1.572 1.056) 1.894 11.076 ( 0.000 20.927 2.618) 21.090 11.219 ( 0.000 -1.756 5.724) 5.987 11.343 ( 0.000 1.288 8.489) 8.586 11.677 ( 0.000 16.452 -5.369) 17.306 11.798 ( 0.000 10.315 1.434) 10.414 11.988 ( 0.000 -2.103 -8.204) 8.469 12.608 ( 0.000 4.923 -21.771) 22.321 12.951 ( 0.000 0.837 0.216) 0.865 13.565 ( 0.000 -4.453 -9.990) 10.938 13.904 ( 0.000 4.281 11.605) 12.369 14.140 ( 0.000 -9.458 -2.751) 9.850 14.244 ( 0.000 -7.597 -8.534) 11.426 14.439 ( 0.000 9.918 -1.344) 10.009 14.859 ( 0.000 -9.467 7.956) 12.366 14.890 ( 0.000 -6.520 3.884) 7.589 15.201 ( 0.000 -18.316 1.353) 18.366 15.293 ( 0.000 -14.183 -0.659) 14.198 15.962 ( 0.000 3.115 1.491) 3.454 16.056 ( 0.000 -2.337 -0.824) 2.479 16.177 ( 0.000 -14.120 5.730) 15.238 16.461 ( 0.000 -5.579 2.944) 6.308 17.189 ( 0.000 6.585 -2.960) 7.219 17.521 ( 0.000 5.357 -10.936) 12.177 17.855 ( 0.000 5.879 0.448) 5.896 18.184 ( 0.000 -4.081 4.468) 6.052 18.460 ( 0.000 -9.461 -3.411) 10.057 18.999 ( 0.000 11.605 -41.889) 43.467 19.005 ( 0.000 -2.702 0.386) 2.729 19.109 ( 0.000 1.717 0.282) 1.740 21.930 ( 0.000 -17.925 47.178) 50.469 21.992 ( 0.000 -4.874 7.175) 8.674 22.465 ( 0.000 2.311 -4.220) 4.811 23.286 ( 0.000 -14.898 -6.503) 16.256 ======================= Grid point 122 (44/90) ======================= q-point: ( 0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 9.322 30.291 21.062) 38.054 2.111 ( 15.899 28.050 24.268) 40.355 3.128 ( 18.621 26.837 -1.845) 32.716 3.489 ( 18.475 31.609 -2.532) 36.700 3.745 ( -5.878 18.163 -22.679) 29.644 4.159 ( 13.718 31.136 4.500) 34.320 4.315 ( 8.903 31.669 -1.744) 32.943 4.533 ( -1.423 -5.147 5.121) 7.399 4.615 ( 5.138 -8.898 0.343) 10.280 4.724 ( 4.313 8.122 5.155) 10.542 4.762 ( -3.000 -3.636 5.182) 7.005 5.035 ( 2.491 -4.545 11.338) 12.466 5.188 ( 2.795 1.228 6.520) 7.199 5.379 ( 6.936 3.314 0.652) 7.715 5.760 ( -0.813 8.429 -1.028) 8.530 6.140 ( 2.352 8.611 -26.087) 27.572 6.475 ( -12.199 14.548 -20.164) 27.695 6.991 ( -0.556 -13.651 -13.980) 19.547 7.130 ( 1.512 -3.394 -0.873) 3.817 7.234 ( 4.273 6.470 -8.520) 11.520 7.500 ( -0.935 10.737 9.864) 14.610 7.545 ( -7.683 4.645 10.268) 13.640 7.723 ( -1.618 16.543 -1.297) 16.673 8.217 ( 2.230 -3.028 4.943) 6.211 8.491 ( 3.336 -5.354 4.087) 7.516 8.606 ( 3.404 3.234 11.702) 12.609 8.788 ( -1.382 0.077 7.009) 7.144 8.819 ( 7.961 0.243 6.754) 10.442 8.941 ( -3.312 -5.154 0.795) 6.178 9.136 ( 11.619 -5.406 3.049) 13.173 9.186 ( -1.334 -3.217 3.787) 5.145 9.539 ( 10.557 2.730 2.755) 11.247 9.797 ( -1.922 1.485 -4.569) 5.175 9.835 ( 3.130 2.687 7.670) 8.709 9.893 ( 11.636 -3.407 -1.319) 12.196 10.076 ( 6.543 -1.640 3.770) 7.728 10.166 ( 11.909 -4.705 3.094) 13.173 10.650 ( 1.890 38.302 0.982) 38.362 11.050 ( -0.407 4.217 0.656) 4.287 11.112 ( 2.331 20.199 1.974) 20.428 11.220 ( 1.664 -0.696 7.147) 7.371 11.310 ( -2.827 1.330 8.974) 9.502 11.662 ( -1.235 16.146 -5.710) 17.171 11.819 ( 2.287 7.370 1.064) 7.790 12.012 ( 2.732 5.391 -7.599) 9.709 12.682 ( 6.290 3.033 -23.544) 24.558 12.956 ( 1.039 -0.658 1.447) 1.899 13.509 ( -5.505 -6.234 -10.511) 13.403 13.845 ( -4.890 5.454 12.477) 14.468 14.070 ( -5.789 -6.916 2.874) 9.466 14.228 ( -1.653 -5.696 -7.372) 9.462 14.496 ( 4.116 8.551 -3.672) 10.176 14.880 ( 1.947 -7.975 7.485) 11.109 14.886 ( -0.584 -6.347 3.458) 7.252 15.222 ( 2.056 -18.550 0.234) 18.665 15.269 ( -2.069 -12.816 -0.716) 13.001 15.870 ( -9.392 3.409 1.365) 10.085 15.950 ( -10.647 -2.900 -0.440) 11.043 16.142 ( -3.416 -13.645 4.448) 14.753 16.321 ( -11.742 -3.028 2.318) 12.346 16.874 ( -22.049 10.297 -1.733) 24.397 17.318 ( -14.088 1.884 -11.831) 18.493 17.796 ( -24.015 -6.274 2.346) 24.932 18.110 ( -22.769 -6.301 -2.919) 23.804 18.319 ( 24.314 6.056 5.895) 25.741 19.284 ( 21.958 -3.795 -1.602) 22.341 19.346 ( 24.401 1.368 -8.807) 25.978 19.570 ( 37.623 -3.549 -31.606) 49.264 21.881 ( -4.177 -14.623 36.692) 39.719 21.997 ( -0.304 -7.032 11.922) 13.845 22.394 ( -7.354 1.714 -3.403) 8.283 23.158 ( -12.852 -13.670 -6.017) 19.704 ======================= Grid point 123 (45/90) ======================= q-point: ( 0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 22.119 26.417 8.989) 35.607 2.502 ( 24.052 20.799 16.567) 35.855 3.421 ( 12.903 15.972 -17.617) 27.054 3.636 ( -1.988 10.905 -20.236) 23.073 4.031 ( 27.200 14.343 12.107) 33.048 4.419 ( 5.738 8.674 3.441) 10.955 4.457 ( 2.546 13.435 0.770) 13.696 4.546 ( 3.728 -4.410 3.358) 6.680 4.735 ( 10.825 18.572 2.450) 21.636 4.773 ( 10.616 12.270 10.341) 19.240 4.850 ( 6.009 10.268 -0.788) 11.923 5.043 ( 2.953 -1.762 2.224) 4.095 5.331 ( 9.807 -0.413 0.476) 9.827 5.546 ( 8.016 -11.254 7.450) 15.698 5.747 ( 0.798 8.291 5.030) 9.731 6.023 ( -11.392 8.221 -13.334) 19.369 6.464 ( 8.385 12.268 -16.674) 22.335 6.857 ( -14.722 -5.358 -7.681) 17.448 6.995 ( -14.517 -1.965 12.923) 19.535 7.259 ( 5.497 0.674 -1.129) 5.652 7.465 ( 3.081 -8.531 5.669) 10.697 7.618 ( 4.082 10.977 -4.037) 12.388 7.751 ( 5.950 8.037 -8.260) 12.970 8.223 ( -6.384 -5.960 -1.004) 8.791 8.443 ( -8.004 -14.297 5.584) 17.310 8.656 ( 1.006 1.795 9.510) 9.730 8.773 ( 2.191 2.966 -3.796) 5.292 8.913 ( -0.566 0.040 -0.109) 0.578 9.062 ( 14.372 -0.742 4.149) 14.977 9.113 ( 0.790 -3.071 4.248) 5.301 9.497 ( 15.472 1.268 -3.129) 15.836 9.604 ( -6.625 -2.649 -5.141) 8.794 9.747 ( 1.919 4.606 4.807) 6.929 9.945 ( 12.072 9.543 15.720) 21.998 10.204 ( 12.281 1.080 -1.453) 12.414 10.301 ( 20.181 4.663 1.836) 20.793 10.481 ( 19.887 -0.108 -1.521) 19.945 10.717 ( 5.572 35.920 2.302) 36.422 10.985 ( -5.855 1.027 3.421) 6.858 11.169 ( 4.219 28.576 1.345) 28.917 11.203 ( -4.605 3.215 8.248) 9.979 11.359 ( 7.850 5.698 6.098) 11.457 11.640 ( -0.822 16.143 -5.660) 17.126 11.906 ( 7.403 3.616 -2.711) 8.674 12.110 ( 8.150 16.899 -4.863) 19.382 12.757 ( 0.433 2.953 -17.741) 17.990 13.039 ( 7.406 -4.797 -4.885) 10.086 13.367 ( -8.739 -10.474 -8.533) 16.090 13.769 ( -1.765 3.842 14.082) 14.703 13.967 ( -3.826 -3.961 5.538) 7.810 14.187 ( -2.206 -2.042 -4.082) 5.070 14.551 ( 1.183 8.918 -4.921) 10.254 14.856 ( -2.864 -7.040 2.695) 8.063 14.926 ( 2.545 -5.651 4.999) 7.963 15.207 ( -3.048 -13.358 0.595) 13.714 15.288 ( 2.323 -14.074 -0.259) 14.267 15.609 ( -17.288 4.563 1.193) 17.920 15.681 ( -15.692 -3.175 -0.475) 16.017 16.059 ( -5.294 -11.608 2.204) 12.947 16.104 ( -8.972 -4.949 2.491) 10.545 16.543 ( -11.938 5.799 -2.218) 13.456 16.997 ( -20.035 -1.491 -12.483) 23.652 17.292 ( -25.033 -6.630 4.700) 26.319 17.575 ( -29.398 -6.421 -2.845) 30.226 18.925 ( 33.762 3.210 7.618) 34.759 19.697 ( 20.840 -6.248 2.339) 21.881 19.830 ( 24.557 -0.190 -3.818) 24.853 20.240 ( 29.320 -9.814 -33.991) 45.950 21.781 ( -6.167 -12.590 27.403) 30.781 21.965 ( -3.150 -6.605 7.201) 10.267 22.184 ( -14.187 0.264 -1.098) 14.232 22.817 ( -21.755 -11.090 -4.747) 24.875 ======================= Grid point 124 (46/90) ======================= q-point: ( 0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 26.671 18.404 4.413) 32.704 3.001 ( 26.555 12.213 8.857) 30.541 3.566 ( 3.295 9.504 -19.757) 22.170 3.762 ( 14.612 8.045 -11.506) 20.264 4.265 ( -9.822 0.511 4.897) 10.987 4.370 ( 4.089 -3.831 7.753) 9.566 4.450 ( -6.701 -1.519 5.548) 8.831 4.596 ( 3.920 4.005 7.353) 9.245 4.904 ( -2.372 10.709 -8.981) 14.176 5.011 ( 9.920 0.443 2.356) 10.206 5.066 ( 17.117 21.118 -0.961) 27.201 5.308 ( 4.912 -4.026 -4.871) 8.004 5.489 ( 20.421 8.691 5.683) 22.909 5.673 ( 10.988 -0.090 3.721) 11.601 5.841 ( -5.124 6.254 4.527) 9.266 5.913 ( 11.839 0.635 13.232) 17.766 6.532 ( -9.145 -3.730 -5.043) 11.089 6.627 ( 3.740 5.180 -5.904) 8.699 6.807 ( -4.268 -0.292 10.362) 11.211 7.408 ( 7.939 -9.524 -4.169) 13.081 7.507 ( -2.308 -10.100 -0.962) 10.405 7.639 ( -4.442 -1.663 -9.270) 10.413 7.863 ( 7.157 6.724 -5.480) 11.246 8.083 ( -3.172 -3.707 0.086) 4.879 8.236 ( -12.902 -12.361 4.250) 18.366 8.548 ( -9.902 -1.585 -5.774) 11.571 8.821 ( 0.186 5.340 3.772) 6.540 8.912 ( 1.187 1.688 -0.460) 2.115 9.222 ( 8.981 3.300 -1.843) 9.744 9.321 ( 9.332 1.656 1.714) 9.631 9.378 ( -11.770 -0.110 -1.902) 11.923 9.559 ( -5.241 4.046 -0.815) 6.671 9.898 ( 8.404 7.996 8.839) 14.584 10.253 ( 8.542 2.913 16.928) 19.184 10.454 ( 23.729 7.779 -0.452) 24.975 10.650 ( 7.435 11.353 -0.118) 13.571 10.781 ( 9.879 16.129 3.633) 19.260 10.854 ( 1.284 6.989 1.749) 7.318 10.981 ( 8.313 8.895 5.359) 13.302 11.165 ( 7.160 18.265 -0.572) 19.627 11.284 ( 9.367 25.877 0.554) 27.526 11.507 ( 6.737 13.999 0.555) 15.546 11.639 ( 1.288 16.674 -4.264) 17.259 12.093 ( 10.787 6.851 -8.801) 15.516 12.364 ( 19.104 18.653 -1.801) 26.761 12.781 ( 4.663 2.408 -10.359) 11.612 13.084 ( -5.559 -4.395 -1.149) 7.179 13.256 ( -0.590 -12.538 -6.676) 14.217 13.788 ( 2.832 -1.103 10.477) 10.908 13.969 ( 4.597 -4.057 -0.468) 6.149 14.163 ( 0.632 -0.294 1.490) 1.645 14.541 ( -1.962 7.203 -6.434) 9.856 14.752 ( -9.313 -5.313 3.045) 11.146 14.933 ( -4.924 -2.772 -2.284) 6.095 15.135 ( -16.231 -6.707 3.883) 17.986 15.169 ( -3.346 -8.438 4.682) 10.214 15.233 ( -19.269 4.755 3.443) 20.143 15.536 ( 3.058 -8.503 -2.804) 9.462 15.933 ( -6.433 -7.192 1.807) 9.818 16.008 ( -2.519 -12.371 2.566) 12.883 16.375 ( -7.889 0.410 -5.765) 9.780 16.580 ( -19.963 -4.678 -7.491) 21.830 16.840 ( -23.836 -8.512 2.267) 25.412 17.049 ( -22.800 -4.266 -3.517) 23.461 19.570 ( 32.711 -1.283 8.320) 33.777 20.093 ( 20.652 -7.423 3.521) 22.227 20.266 ( 20.279 -1.921 -1.289) 20.410 20.686 ( 17.468 -8.900 -25.412) 32.095 21.638 ( -9.143 -10.722 17.904) 22.784 21.833 ( -16.107 -1.867 -0.579) 16.226 21.908 ( -8.191 -5.836 2.601) 10.389 22.358 ( -24.708 -8.418 -3.205) 26.299 ======================= Grid point 125 (47/90) ======================= q-point: ( 0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( 26.006 10.486 1.464) 28.078 3.459 ( 19.118 1.197 5.169) 19.841 3.694 ( 10.938 9.529 -6.670) 15.967 4.003 ( -11.493 5.082 4.320) 13.288 4.069 ( 11.538 1.534 -10.480) 15.662 4.265 ( -8.821 1.366 0.424) 8.936 4.391 ( -4.411 -0.605 5.139) 6.800 4.628 ( -8.256 -1.102 3.928) 9.209 4.747 ( -3.241 6.178 -2.714) 7.486 5.132 ( 1.495 -1.611 -1.894) 2.901 5.263 ( -1.569 6.403 2.275) 6.974 5.287 ( 1.168 -11.402 2.628) 11.759 5.643 ( -1.187 12.479 13.769) 18.620 5.814 ( 4.734 -3.510 0.372) 5.905 6.098 ( 25.324 -1.546 0.140) 25.371 6.282 ( 17.292 8.781 0.731) 19.407 6.486 ( 2.630 -1.096 -2.965) 4.112 6.726 ( 11.213 -0.361 3.675) 11.805 6.877 ( 9.970 -3.637 2.720) 10.955 7.204 ( -23.476 -12.494 -4.710) 27.008 7.526 ( 2.349 -13.448 -7.244) 15.455 7.584 ( 0.604 -10.800 -7.735) 13.297 7.913 ( -13.915 -7.313 4.440) 16.335 7.944 ( -12.923 -11.634 5.558) 18.255 8.191 ( 14.746 11.753 -3.272) 19.138 8.416 ( -0.695 6.634 -6.844) 9.557 8.768 ( -4.434 5.947 2.266) 7.757 8.950 ( -1.917 0.971 2.065) 2.980 9.116 ( -7.053 6.075 -6.075) 11.116 9.396 ( 4.552 8.384 -3.977) 10.336 9.418 ( -5.841 5.697 -0.127) 8.161 9.485 ( 4.549 4.115 0.411) 6.148 10.037 ( 7.019 4.692 11.943) 14.626 10.289 ( -2.548 2.139 15.293) 15.651 10.626 ( -1.070 7.451 5.382) 9.254 10.797 ( -4.718 -3.239 15.587) 16.604 10.915 ( 10.180 20.496 -2.874) 23.065 10.985 ( 11.835 28.850 1.219) 31.207 11.093 ( 8.709 16.191 1.707) 18.463 11.279 ( 2.058 30.723 -0.646) 30.799 11.506 ( 4.465 14.938 -6.402) 16.854 11.582 ( 0.231 14.500 -8.059) 16.591 11.814 ( 19.042 15.017 -7.307) 25.328 12.253 ( 3.411 8.265 -16.467) 18.738 12.843 ( 16.413 5.114 3.279) 17.501 12.876 ( 15.017 5.178 2.389) 16.064 13.082 ( 3.963 -3.701 0.299) 5.430 13.283 ( 11.048 -4.204 4.592) 12.681 13.869 ( 5.228 -1.141 -5.962) 8.011 13.979 ( -8.074 -2.316 -0.213) 8.402 14.257 ( -0.901 -6.411 -1.566) 6.661 14.468 ( -4.986 2.550 -2.979) 6.343 14.497 ( -11.835 1.662 1.982) 12.114 14.626 ( -16.379 7.760 -2.511) 18.297 14.816 ( -12.630 -5.081 5.021) 14.510 14.949 ( -9.492 -4.916 1.363) 10.776 15.261 ( 7.951 -3.858 8.160) 12.029 15.648 ( 6.912 -8.489 -2.676) 11.270 15.779 ( -10.989 -6.828 1.002) 12.977 15.997 ( 1.455 -12.411 2.847) 12.816 16.107 ( -16.524 -5.121 -4.709) 17.928 16.312 ( -15.677 -10.546 -1.122) 18.927 16.488 ( -4.282 -5.079 -2.301) 7.030 16.719 ( -12.693 -4.470 -6.011) 14.739 20.165 ( 28.429 -5.035 7.241) 29.765 20.504 ( 22.083 -9.134 3.296) 24.124 20.588 ( 11.914 -4.384 1.356) 12.767 20.923 ( 6.927 -6.435 -14.166) 17.031 21.392 ( -16.686 -2.407 6.288) 17.993 21.480 ( -17.850 -6.912 7.311) 20.490 21.793 ( -4.971 -7.000 -5.203) 10.039 21.934 ( -16.896 -6.791 -3.207) 18.490 ======================= Grid point 126 (48/90) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( -10.800 2.500 1.768) 11.226 3.628 ( 10.800 2.500 1.768) 11.226 3.829 ( -1.996 2.966 2.835) 4.563 3.829 ( 1.996 2.966 2.835) 4.563 4.179 ( -10.570 4.558 1.449) 11.602 4.179 ( 10.570 4.558 1.449) 11.602 4.373 ( -13.182 2.362 -9.255) 16.279 4.373 ( 13.182 2.362 -9.255) 16.279 4.922 ( -15.763 4.572 7.602) 18.088 4.922 ( 15.763 4.572 7.602) 18.088 5.279 ( -2.811 -11.291 3.391) 12.119 5.279 ( 2.811 -11.291 3.391) 12.119 5.764 ( -7.813 4.887 4.787) 10.384 5.764 ( 7.813 4.887 4.787) 10.384 6.428 ( -8.216 9.580 -4.355) 13.351 6.428 ( 8.216 9.580 -4.355) 13.351 6.663 ( -25.114 -14.087 -2.879) 28.939 6.663 ( 25.114 -14.087 -2.879) 28.939 7.039 ( -3.958 -7.753 -2.677) 9.107 7.039 ( 3.958 -7.753 -2.677) 9.107 7.575 ( -11.563 -5.044 2.233) 12.811 7.575 ( 11.563 -5.044 2.233) 12.811 7.704 ( -9.404 -12.816 0.415) 15.901 7.704 ( 9.404 -12.816 0.415) 15.901 8.430 ( -4.267 9.096 0.374) 10.054 8.430 ( 4.267 9.096 0.374) 10.054 8.758 ( -7.843 4.928 -4.275) 10.201 8.758 ( 7.843 4.928 -4.275) 10.201 9.215 ( -10.258 7.355 -0.053) 12.622 9.215 ( 10.258 7.355 -0.053) 12.622 9.505 ( -2.417 6.616 -3.889) 8.046 9.505 ( 2.417 6.616 -3.889) 8.046 10.181 ( -7.516 2.168 14.182) 16.197 10.181 ( 7.516 2.168 14.182) 16.197 10.676 ( -5.677 3.726 12.341) 14.086 10.676 ( 5.677 3.726 12.341) 14.086 11.042 ( -3.466 26.847 -1.128) 27.094 11.042 ( 3.466 26.847 -1.128) 27.094 11.262 ( -4.610 27.007 1.558) 27.442 11.262 ( 4.610 27.007 1.558) 27.442 11.550 ( -2.430 13.198 -8.704) 15.995 11.550 ( 2.430 13.198 -8.704) 15.995 12.153 ( -13.159 8.549 -17.561) 23.550 12.153 ( 13.159 8.549 -17.561) 23.550 12.958 ( -8.813 -1.737 13.395) 16.128 12.958 ( 8.813 -1.737 13.395) 16.128 13.497 ( -26.791 -2.331 -1.640) 26.942 13.497 ( 26.791 -2.331 -1.640) 26.942 13.804 ( -22.139 6.289 0.262) 23.016 13.804 ( 22.139 6.289 0.262) 23.016 14.130 ( -11.158 3.231 -8.076) 14.148 14.130 ( 11.158 3.231 -8.076) 14.148 14.620 ( -7.617 -2.795 1.853) 8.322 14.620 ( 7.617 -2.795 1.853) 8.322 14.724 ( -14.023 -4.733 2.133) 14.953 14.724 ( 14.023 -4.733 2.133) 14.953 15.483 ( -15.047 -3.059 4.079) 15.887 15.483 ( 15.047 -3.059 4.079) 15.887 15.835 ( -11.168 -8.139 -3.453) 14.244 15.835 ( 11.168 -8.139 -3.453) 14.244 16.080 ( -7.255 -12.456 3.759) 14.897 16.080 ( 7.255 -12.456 3.759) 14.897 16.536 ( -6.502 -5.012 -6.802) 10.662 16.536 ( 6.502 -5.012 -6.802) 10.662 20.603 ( -13.531 -7.590 4.531) 16.162 20.603 ( 13.531 -7.590 4.531) 16.162 20.896 ( -13.535 -10.160 -2.369) 17.089 20.896 ( 13.535 -10.160 -2.369) 17.089 21.193 ( -3.885 0.946 6.353) 7.506 21.193 ( 3.885 0.946 6.353) 7.506 21.756 ( -2.527 -7.596 -6.870) 10.549 21.756 ( 2.527 -7.596 -6.870) 10.549 ======================= Grid point 132 (49/90) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 0.000 28.005 23.375) 36.479 2.619 ( 0.000 32.913 17.875) 37.454 3.523 ( 0.000 20.361 -4.882) 20.938 4.005 ( 0.000 27.406 -3.324) 27.607 4.146 ( 0.000 -22.908 2.250) 23.018 4.287 ( 0.000 16.516 -25.482) 30.366 4.383 ( 0.000 -6.039 -8.380) 10.329 4.450 ( 0.000 -10.627 -0.260) 10.630 4.677 ( 0.000 24.406 7.651) 25.578 4.758 ( 0.000 2.179 13.438) 13.614 4.938 ( 0.000 16.717 9.286) 19.123 5.293 ( 0.000 3.180 9.610) 10.122 5.303 ( 0.000 37.631 3.696) 37.813 5.542 ( 0.000 13.813 -5.533) 14.880 5.962 ( 0.000 8.352 -2.535) 8.728 6.263 ( 0.000 0.563 -21.389) 21.396 6.609 ( 0.000 -14.131 -16.844) 21.987 6.859 ( 0.000 8.913 -31.014) 32.270 7.063 ( 0.000 0.463 8.679) 8.691 7.436 ( 0.000 16.811 -1.979) 16.927 7.727 ( 0.000 3.138 11.068) 11.505 7.739 ( 0.000 4.655 17.229) 17.847 8.023 ( 0.000 -7.162 14.189) 15.894 8.124 ( 0.000 -24.777 0.120) 24.777 8.202 ( 0.000 9.891 9.476) 13.697 8.632 ( 0.000 -0.632 1.260) 1.409 8.700 ( 0.000 9.143 8.412) 12.424 8.724 ( 0.000 -4.407 3.331) 5.524 8.965 ( 0.000 5.973 4.599) 7.538 9.154 ( 0.000 -4.237 4.828) 6.424 9.225 ( 0.000 -8.037 4.093) 9.020 9.271 ( 0.000 12.033 -4.520) 12.854 9.515 ( 0.000 -16.414 -6.347) 17.599 9.656 ( 0.000 -13.540 -2.300) 13.734 9.696 ( 0.000 -10.393 -8.371) 13.345 9.850 ( 0.000 -0.900 -5.079) 5.158 10.376 ( 0.000 18.826 26.550) 32.547 11.076 ( 0.000 -0.101 4.519) 4.520 11.161 ( 0.000 -2.775 6.861) 7.401 11.280 ( 0.000 -2.469 8.803) 9.142 11.581 ( 0.000 47.808 -0.295) 47.809 11.790 ( 0.000 42.445 -1.332) 42.466 11.936 ( 0.000 -2.018 -6.976) 7.262 11.953 ( 0.000 4.828 -1.917) 5.194 12.053 ( 0.000 18.027 -10.560) 20.892 12.786 ( 0.000 7.528 -32.217) 33.085 13.039 ( 0.000 9.507 1.687) 9.656 13.429 ( 0.000 -4.606 -6.728) 8.153 13.896 ( 0.000 -13.710 -2.211) 13.887 14.025 ( 0.000 -13.843 -9.169) 16.604 14.068 ( 0.000 10.260 20.940) 23.319 14.496 ( 0.000 -26.564 1.197) 26.591 14.632 ( 0.000 -24.712 -0.024) 24.712 14.666 ( 0.000 11.661 -1.090) 11.712 14.771 ( 0.000 -15.973 8.693) 18.185 15.110 ( 0.000 -1.353 0.048) 1.354 15.861 ( 0.000 -15.144 9.899) 18.092 15.934 ( 0.000 -8.935 3.965) 9.776 16.038 ( 0.000 4.074 1.038) 4.204 16.347 ( 0.000 -5.268 1.345) 5.437 17.344 ( 0.000 8.177 -2.665) 8.600 17.653 ( 0.000 7.249 -8.798) 11.399 17.896 ( 0.000 -4.617 -3.650) 5.885 18.188 ( 0.000 3.696 3.524) 5.107 18.261 ( 0.000 -5.851 -0.609) 5.883 18.907 ( 0.000 -6.800 0.905) 6.860 19.144 ( 0.000 3.425 -32.052) 32.235 19.145 ( 0.000 1.554 -4.398) 4.664 21.711 ( 0.000 -4.747 32.938) 33.278 21.876 ( 0.000 -5.871 10.664) 12.173 22.525 ( 0.000 3.478 -5.454) 6.469 22.987 ( 0.000 -12.834 -7.758) 14.997 ======================= Grid point 133 (50/90) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 9.200 28.149 16.666) 33.982 2.744 ( 11.178 30.948 16.908) 36.994 3.597 ( 6.572 16.719 -7.852) 19.605 4.021 ( 0.130 12.826 1.947) 12.974 4.165 ( -5.737 11.230 -19.895) 23.555 4.235 ( 6.902 -3.895 -4.536) 9.132 4.358 ( -1.830 -7.737 -5.859) 9.876 4.548 ( 8.448 -13.515 3.226) 16.262 4.718 ( -2.414 7.520 11.578) 14.015 4.855 ( 13.494 15.933 3.876) 21.236 5.021 ( 8.864 19.839 9.190) 23.593 5.253 ( -3.298 6.549 8.651) 11.340 5.377 ( 6.692 33.145 2.356) 33.896 5.544 ( -0.171 11.264 -3.697) 11.857 5.951 ( -1.157 8.637 0.976) 8.769 6.196 ( -6.746 -4.048 -20.236) 21.712 6.630 ( 0.906 -11.453 -14.359) 18.390 6.789 ( -5.149 11.208 -24.245) 27.202 7.068 ( 1.503 -2.226 6.164) 6.724 7.431 ( -8.081 -2.374 8.786) 12.171 7.502 ( -12.477 11.696 3.837) 17.527 7.762 ( 1.405 8.169 11.703) 14.341 7.969 ( -8.149 -7.954 0.986) 11.430 8.081 ( 2.624 -12.335 15.625) 20.079 8.259 ( 1.485 1.667 1.496) 2.687 8.680 ( 1.626 1.499 4.727) 5.218 8.771 ( 5.650 -4.911 2.813) 7.997 8.847 ( 11.144 3.215 1.921) 11.757 8.921 ( -9.245 3.103 0.441) 9.762 9.078 ( -5.893 -4.137 -1.223) 7.303 9.160 ( 18.214 4.356 -0.846) 18.747 9.557 ( 5.293 -5.173 -2.161) 7.710 9.645 ( 1.158 -7.963 -3.731) 8.870 9.747 ( 22.742 -5.343 0.054) 23.361 9.853 ( 17.371 -8.195 -1.276) 19.249 9.964 ( 10.837 1.204 -3.437) 11.433 10.392 ( 2.051 15.628 24.795) 29.381 11.052 ( -3.527 -2.337 5.558) 6.985 11.187 ( 3.340 -1.357 6.916) 7.799 11.280 ( 1.405 -1.065 8.747) 8.923 11.602 ( 2.347 46.266 -0.674) 46.330 11.842 ( 5.070 43.627 -1.702) 43.954 11.893 ( 1.263 4.766 -3.546) 6.073 12.030 ( -1.753 16.180 -10.425) 19.328 12.130 ( 12.114 3.092 -5.682) 13.733 12.807 ( 1.781 4.991 -30.712) 31.166 13.035 ( -0.242 9.675 0.793) 9.710 13.364 ( -6.412 -3.479 -6.535) 9.794 13.858 ( -3.425 -11.344 -0.427) 11.858 13.976 ( -3.897 -2.515 9.119) 10.231 14.093 ( 1.604 -1.463 2.471) 3.289 14.561 ( 5.769 -23.612 1.729) 24.368 14.635 ( 1.097 -16.430 -1.295) 16.518 14.710 ( 3.228 3.242 -0.430) 4.596 14.771 ( 0.151 -16.511 7.570) 18.164 15.086 ( -2.102 -2.182 0.063) 3.030 15.817 ( -7.628 -12.047 6.011) 15.474 15.833 ( -6.510 -11.572 6.795) 14.915 15.960 ( -7.943 4.538 1.146) 9.219 16.261 ( -8.300 -3.181 1.027) 8.947 17.076 ( -22.009 9.203 -3.260) 24.077 17.392 ( -18.953 5.330 -8.879) 21.598 17.643 ( -24.625 -8.173 -0.556) 25.952 17.938 ( -24.497 -9.332 -3.802) 26.489 18.496 ( 24.771 10.250 5.044) 27.279 19.158 ( 19.482 -7.696 1.132) 20.977 19.380 ( 21.709 1.361 -9.420) 23.704 19.497 ( 27.634 -3.214 -24.402) 37.005 21.686 ( -2.513 -4.315 29.826) 30.241 21.868 ( -1.057 -6.139 10.135) 11.896 22.444 ( -8.361 3.043 -4.882) 10.149 22.879 ( -10.998 -12.159 -7.187) 17.901 ======================= Grid point 134 (51/90) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 17.548 25.747 6.649) 31.860 2.998 ( 14.643 26.047 12.099) 32.237 3.736 ( 7.523 10.445 -10.123) 16.375 3.903 ( -8.527 15.135 -15.738) 23.441 4.184 ( 3.136 -4.950 0.710) 5.903 4.311 ( -0.347 -5.214 -0.795) 5.286 4.408 ( 6.934 -4.060 -4.460) 9.190 4.633 ( -0.888 2.167 11.374) 11.613 4.781 ( 9.796 -7.629 5.467) 13.567 5.040 ( -0.537 6.161 2.040) 6.512 5.237 ( 7.310 1.156 6.771) 10.031 5.273 ( 14.916 22.002 6.155) 27.285 5.477 ( -4.705 14.604 -4.974) 16.130 5.576 ( 10.833 21.910 -0.376) 24.445 5.939 ( 1.619 10.985 9.879) 14.862 6.043 ( -6.896 -3.453 -11.903) 14.183 6.613 ( -1.670 -13.876 -10.925) 17.739 6.715 ( -4.911 7.002 -7.573) 11.423 6.994 ( -18.967 3.712 7.868) 20.867 7.190 ( 5.812 -8.083 4.854) 11.076 7.405 ( -5.886 5.852 -3.187) 8.891 7.754 ( -8.838 0.036 2.349) 9.145 7.898 ( 3.348 -1.757 1.564) 4.092 8.032 ( -6.461 -16.389 7.687) 19.221 8.264 ( -0.633 8.380 -0.993) 8.462 8.657 ( -3.471 -0.646 -2.479) 4.314 8.853 ( 1.777 2.440 -0.255) 3.030 8.921 ( 7.860 -2.356 -4.302) 9.265 9.022 ( 2.939 -1.428 3.666) 4.911 9.113 ( 14.277 4.424 1.735) 15.047 9.494 ( -0.462 -5.711 -5.158) 7.710 9.518 ( 5.224 -3.086 -3.358) 6.935 9.811 ( 16.319 3.620 9.051) 19.009 10.181 ( 10.784 10.549 5.298) 15.989 10.212 ( 19.856 1.227 1.980) 19.992 10.277 ( 23.728 -4.862 0.210) 24.222 10.514 ( 14.105 3.594 12.480) 19.173 10.945 ( -6.914 -2.547 7.506) 10.518 11.243 ( 4.393 2.580 8.226) 9.675 11.444 ( 15.119 2.102 5.254) 16.144 11.667 ( 3.941 44.556 -0.864) 44.739 11.963 ( 5.751 41.461 -2.925) 41.960 11.988 ( 2.597 9.672 -7.345) 12.419 12.005 ( 7.264 18.277 -6.107) 20.594 12.406 ( 16.059 6.382 -7.375) 18.789 12.826 ( -0.331 0.767 -20.117) 20.134 13.045 ( 1.381 4.660 -5.009) 6.980 13.208 ( -8.526 2.622 -6.343) 10.946 13.798 ( -1.772 -7.823 1.794) 8.219 13.895 ( -4.271 1.125 14.146) 14.819 14.116 ( 0.558 -4.085 -1.948) 4.560 14.644 ( 1.628 -14.808 -0.337) 14.901 14.673 ( 0.366 -15.235 -2.350) 15.420 14.761 ( 3.104 -1.327 1.781) 3.816 14.794 ( 2.580 -14.964 4.424) 15.816 15.051 ( -1.100 -6.481 -0.134) 6.575 15.565 ( -14.858 -7.283 5.412) 17.410 15.717 ( -11.592 -1.182 1.747) 11.782 15.767 ( -7.632 -7.860 5.225) 12.138 16.059 ( -11.686 -1.286 1.279) 11.826 16.669 ( -18.309 6.099 -3.606) 19.632 16.983 ( -24.480 0.440 -9.512) 26.267 17.135 ( -25.317 -7.636 1.319) 26.476 17.419 ( -27.870 -8.303 -3.799) 29.328 19.021 ( 28.314 6.022 6.363) 29.639 19.543 ( 19.907 -8.246 2.780) 21.725 19.824 ( 22.763 -0.236 -5.505) 23.420 20.037 ( 26.145 -8.774 -23.625) 36.314 21.615 ( -4.817 -3.445 23.020) 23.770 21.829 ( -3.148 -6.536 7.266) 10.268 22.209 ( -15.690 2.026 -3.246) 16.150 22.582 ( -19.230 -10.541 -5.649) 22.645 ======================= Grid point 135 (52/90) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 18.351 21.496 1.768) 28.319 3.291 ( 14.818 16.119 5.108) 22.483 3.794 ( -0.768 9.594 -9.363) 13.428 3.900 ( 9.007 6.603 -7.919) 13.691 4.169 ( -3.399 -7.533 0.721) 8.296 4.315 ( -1.279 -1.375 4.803) 5.157 4.465 ( -2.055 -3.244 -3.702) 5.334 4.648 ( 2.387 5.513 12.792) 14.133 4.894 ( -0.386 -9.844 10.374) 14.306 4.975 ( -2.864 -3.614 -11.222) 12.132 5.186 ( -10.747 -8.252 -1.718) 13.658 5.485 ( 3.503 11.825 -1.910) 12.480 5.557 ( 13.059 8.489 3.264) 15.914 5.811 ( 11.384 7.463 3.328) 14.013 5.952 ( -2.062 1.680 1.498) 3.052 6.119 ( 13.918 16.053 11.243) 24.038 6.465 ( -7.109 -1.431 5.092) 8.860 6.650 ( 1.358 -3.567 -7.449) 8.370 6.834 ( 0.618 4.576 -2.893) 5.449 7.261 ( -8.591 -4.560 -8.284) 12.776 7.322 ( 2.850 -5.869 0.043) 6.524 7.473 ( -15.797 -7.220 -1.601) 17.442 7.887 ( -7.755 -14.140 6.015) 17.213 7.934 ( -4.386 -5.378 3.827) 7.925 8.297 ( 6.199 16.513 -3.746) 18.031 8.594 ( -1.613 5.768 -10.788) 12.339 8.899 ( 3.960 1.137 1.579) 4.412 8.985 ( -0.719 4.328 3.340) 5.514 9.220 ( 10.735 -3.706 -5.480) 12.610 9.336 ( -1.428 -3.477 5.299) 6.496 9.383 ( 7.692 3.740 -0.169) 8.555 9.609 ( 0.013 0.488 -3.819) 3.850 10.071 ( 6.813 8.292 6.971) 12.798 10.327 ( 3.695 5.481 19.154) 20.263 10.535 ( 15.884 -1.314 6.601) 17.251 10.668 ( 11.314 -0.808 -1.129) 11.399 10.840 ( 1.871 -0.069 9.418) 9.602 10.905 ( 21.718 -0.967 0.994) 21.762 11.481 ( 20.804 13.640 -1.558) 24.925 11.710 ( 0.609 32.123 -3.255) 32.293 11.780 ( 16.066 14.162 0.427) 21.421 11.978 ( 2.467 26.540 -2.936) 26.815 12.123 ( 6.607 39.178 -2.346) 39.800 12.271 ( 17.813 10.593 -8.129) 22.262 12.692 ( 8.779 4.815 -10.190) 14.286 12.858 ( 8.408 5.825 -4.060) 11.005 12.983 ( -4.416 -0.535 1.371) 4.655 13.179 ( 4.631 7.085 -12.204) 14.852 13.817 ( -0.881 4.042 9.030) 9.933 13.821 ( 2.069 -9.949 1.615) 10.289 14.108 ( -1.670 -4.993 0.510) 5.289 14.588 ( -7.566 -9.689 -3.265) 12.719 14.639 ( -2.856 -10.496 -2.001) 11.060 14.786 ( -1.493 -4.772 -1.009) 5.101 14.879 ( 3.869 -11.252 3.495) 12.402 14.994 ( -7.494 -8.191 1.137) 11.159 15.302 ( -12.725 -3.300 5.745) 14.346 15.450 ( -9.011 4.564 1.271) 10.180 15.677 ( -3.287 -16.031 4.392) 16.943 15.849 ( -9.291 -3.071 3.372) 10.350 16.379 ( -14.065 0.129 -5.758) 15.199 16.495 ( -22.597 -2.872 -6.130) 23.589 16.659 ( -25.199 -7.786 0.712) 26.384 16.926 ( -21.962 -7.479 -5.098) 23.754 19.563 ( 27.631 0.956 7.425) 28.627 19.921 ( 19.560 -8.597 4.182) 21.771 20.224 ( 18.249 -1.739 -2.950) 18.567 20.466 ( 18.161 -10.730 -18.311) 27.933 21.499 ( -7.258 -2.392 15.308) 17.109 21.742 ( -6.173 -6.466 1.723) 9.104 21.860 ( -19.568 0.808 -0.564) 19.593 22.171 ( -22.347 -8.729 -3.762) 24.284 ======================= Grid point 136 (53/90) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( 16.605 13.303 1.294) 21.315 3.524 ( 9.807 5.862 2.162) 11.628 3.853 ( 3.951 4.001 3.906) 6.846 4.042 ( -2.216 -0.665 -2.751) 3.595 4.114 ( 3.585 1.965 -1.647) 4.408 4.234 ( -6.202 -2.242 7.663) 10.110 4.407 ( -0.306 1.899 -2.245) 2.956 4.648 ( -8.198 2.159 1.485) 8.607 4.764 ( -1.763 -6.605 -0.933) 6.900 4.975 ( 3.845 -7.270 0.584) 8.245 5.099 ( -1.972 -6.140 1.139) 6.548 5.335 ( -18.090 -3.410 4.242) 18.891 5.780 ( 8.639 0.499 -1.328) 8.755 5.907 ( -0.652 11.574 5.847) 12.983 6.006 ( 12.115 -4.987 1.139) 13.151 6.419 ( 17.219 -1.562 -4.597) 17.891 6.566 ( 6.509 15.225 -4.361) 17.123 6.696 ( 0.731 -3.742 1.508) 4.100 6.910 ( 4.539 -0.686 1.688) 4.891 6.970 ( -13.246 -3.227 -9.252) 16.477 7.314 ( -0.051 -7.621 -1.818) 7.835 7.343 ( -0.526 -8.126 -1.767) 8.333 7.679 ( -12.955 -12.564 5.098) 18.753 7.749 ( -13.611 -8.799 3.617) 16.606 8.503 ( 12.639 15.397 -2.912) 20.132 8.607 ( 2.896 10.712 -6.455) 12.838 8.921 ( -4.774 7.122 3.860) 9.402 8.974 ( -0.041 1.571 6.350) 6.541 9.206 ( 0.842 2.110 -3.405) 4.093 9.482 ( 8.476 -0.914 -3.985) 9.411 9.525 ( -3.031 2.548 -1.599) 4.271 9.552 ( 1.371 4.324 -4.449) 6.354 10.153 ( 3.935 6.719 11.325) 13.743 10.334 ( -2.611 2.880 16.826) 17.270 10.645 ( -1.376 -4.550 13.654) 14.458 10.681 ( -0.731 -5.356 12.680) 13.784 11.168 ( 19.353 7.493 -8.058) 22.263 11.317 ( 21.558 5.681 -0.129) 22.294 11.640 ( -6.097 20.219 -7.958) 22.568 11.830 ( 6.070 14.022 -15.138) 21.508 11.988 ( 6.438 31.329 -0.706) 31.991 12.072 ( 3.025 33.069 2.082) 33.272 12.259 ( 10.703 28.836 -0.393) 30.761 12.551 ( 4.916 18.107 -14.058) 23.445 12.812 ( 7.984 0.343 4.783) 9.314 12.966 ( 17.156 3.849 4.815) 18.230 13.206 ( -1.337 7.966 2.764) 8.537 13.331 ( 25.641 8.915 -3.368) 27.355 13.801 ( 0.303 -6.040 -3.998) 7.250 13.912 ( -0.708 -2.278 -3.610) 4.327 14.057 ( 0.682 -11.681 1.195) 11.762 14.400 ( -12.094 -12.015 -6.756) 18.338 14.529 ( -8.285 -3.220 6.250) 10.866 14.708 ( -5.906 -1.997 -1.273) 6.363 14.723 ( -15.275 0.409 -4.771) 16.007 14.843 ( -9.093 -4.330 0.471) 10.082 15.192 ( 5.829 -1.572 8.913) 10.765 15.460 ( 4.871 -9.089 0.589) 10.329 15.626 ( -2.609 -10.355 2.448) 10.955 15.727 ( -2.370 -9.275 6.542) 11.595 16.012 ( -19.337 -2.710 -4.242) 19.981 16.104 ( -22.649 -7.009 -0.743) 23.720 16.357 ( -3.388 -7.401 -4.217) 9.167 16.583 ( -13.867 -8.667 -7.029) 17.799 20.072 ( 24.650 -3.282 6.941) 25.818 20.302 ( 19.906 -9.484 4.406) 22.485 20.495 ( 8.409 -3.881 0.452) 9.272 20.717 ( 6.654 -11.394 -9.607) 16.321 21.339 ( -8.852 -0.031 7.634) 11.689 21.460 ( -18.003 1.641 0.655) 18.090 21.641 ( -5.812 -7.126 -3.049) 9.688 21.779 ( -16.445 -7.463 -3.089) 18.321 ======================= Grid point 137 (54/90) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.678 ( -3.010 3.070 7.063) 8.269 3.678 ( 3.010 3.070 7.063) 8.269 3.905 ( -6.806 2.800 -1.493) 7.509 3.905 ( 6.806 2.800 -1.493) 7.509 4.164 ( -3.282 -2.289 6.071) 7.271 4.164 ( 3.282 -2.289 6.071) 7.271 4.476 ( -7.576 4.043 -7.773) 11.583 4.476 ( 7.576 4.043 -7.773) 11.583 4.940 ( -16.224 -4.324 7.484) 18.383 4.940 ( 16.224 -4.324 7.484) 18.383 5.061 ( -2.624 -6.474 0.499) 7.003 5.061 ( 2.624 -6.474 0.499) 7.003 5.876 ( -3.205 4.676 -0.269) 5.675 5.876 ( 3.205 4.676 -0.269) 5.675 6.352 ( -21.204 -12.162 -7.584) 25.594 6.352 ( 21.204 -12.162 -7.584) 25.594 6.671 ( -3.098 10.522 0.104) 10.969 6.671 ( 3.098 10.522 0.104) 10.969 6.925 ( -2.934 -1.382 -4.867) 5.849 6.925 ( 2.934 -1.382 -4.867) 5.849 7.428 ( -11.341 -12.282 2.619) 16.921 7.428 ( 11.341 -12.282 2.619) 16.921 7.470 ( -13.005 -6.407 2.620) 14.733 7.470 ( 13.005 -6.407 2.620) 14.733 8.659 ( -1.797 11.584 -0.645) 11.740 8.659 ( 1.797 11.584 -0.645) 11.740 8.889 ( -4.538 6.579 3.044) 8.552 8.889 ( 4.538 6.579 3.044) 8.552 9.345 ( -10.454 5.043 -2.996) 11.988 9.345 ( 10.454 5.043 -2.996) 11.988 9.584 ( -1.492 0.836 -5.076) 5.356 9.584 ( 1.492 0.836 -5.076) 5.356 10.248 ( -5.489 4.325 14.526) 16.120 10.248 ( 5.489 4.325 14.526) 16.120 10.650 ( -1.738 -4.759 15.247) 16.067 10.650 ( 1.738 -4.759 15.247) 16.067 11.458 ( -11.382 12.275 -9.723) 19.359 11.458 ( 11.382 12.275 -9.723) 19.359 11.703 ( -15.153 8.440 -8.162) 19.169 11.703 ( 15.153 8.440 -8.162) 19.169 12.070 ( -2.334 37.334 1.501) 37.437 12.070 ( 2.334 37.334 1.501) 37.437 12.478 ( -9.114 22.584 -10.221) 26.412 12.478 ( 9.114 22.584 -10.221) 26.412 13.039 ( -12.901 8.767 11.732) 19.518 13.039 ( 12.901 8.767 11.732) 19.518 13.450 ( -25.090 -1.529 1.555) 25.185 13.450 ( 25.090 -1.529 1.555) 25.185 13.893 ( -17.266 0.505 -4.816) 17.932 13.893 ( 17.266 0.505 -4.816) 17.932 14.093 ( -14.718 -7.984 -7.621) 18.397 14.093 ( 14.718 -7.984 -7.621) 18.397 14.500 ( -10.188 -6.433 0.997) 12.090 14.500 ( 10.188 -6.433 0.997) 12.090 14.695 ( -5.321 1.091 -0.726) 5.480 14.695 ( 5.321 1.091 -0.726) 5.480 15.388 ( -11.633 -7.280 4.970) 14.595 15.388 ( 11.633 -7.280 4.970) 14.595 15.708 ( -10.882 -3.987 -0.807) 11.618 15.708 ( 10.882 -3.987 -0.807) 11.618 15.789 ( -8.001 -11.370 4.124) 14.501 15.789 ( 8.001 -11.370 4.124) 14.501 16.390 ( -6.077 -9.047 -7.422) 13.186 16.390 ( 6.077 -9.047 -7.422) 13.186 20.459 ( -13.119 -5.575 4.611) 14.981 20.459 ( 13.119 -5.575 4.611) 14.981 20.650 ( -13.656 -11.551 1.190) 17.925 20.650 ( 13.656 -11.551 1.190) 17.925 21.246 ( -2.213 3.438 1.877) 4.499 21.246 ( 2.213 3.438 1.877) 4.499 21.594 ( -2.671 -7.529 -5.268) 9.570 21.594 ( 2.671 -7.529 -5.268) 9.570 ======================= Grid point 143 (55/90) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 0.000 27.873 12.953) 30.735 3.263 ( 0.000 26.781 13.400) 29.946 3.629 ( 0.000 -24.955 7.090) 25.943 3.713 ( 0.000 -6.475 3.130) 7.192 4.157 ( 0.000 -7.191 -2.087) 7.488 4.201 ( 0.000 -6.541 -9.568) 11.590 4.401 ( 0.000 10.934 -0.033) 10.934 4.512 ( 0.000 0.154 -7.726) 7.728 5.002 ( 0.000 18.699 0.732) 18.714 5.065 ( 0.000 12.877 -0.009) 12.877 5.279 ( 0.000 -4.602 4.227) 6.249 5.284 ( 0.000 3.875 5.862) 7.027 5.803 ( 0.000 14.457 -9.848) 17.493 5.857 ( 0.000 11.935 -14.129) 18.495 6.022 ( 0.000 -3.946 -8.289) 9.181 6.234 ( 0.000 -20.725 -16.097) 26.242 6.548 ( 0.000 34.379 -2.046) 34.440 7.141 ( 0.000 1.725 21.558) 21.627 7.204 ( 0.000 17.186 -10.451) 20.114 7.398 ( 0.000 -23.606 3.961) 23.936 7.615 ( 0.000 -13.635 18.928) 23.328 7.619 ( 0.000 -11.306 1.982) 11.479 7.874 ( 0.000 6.058 0.989) 6.138 7.901 ( 0.000 0.667 14.032) 14.048 8.464 ( 0.000 10.139 -1.112) 10.200 8.600 ( 0.000 -2.910 -3.201) 4.326 8.747 ( 0.000 7.100 -4.880) 8.615 8.876 ( 0.000 6.103 10.909) 12.500 9.043 ( 0.000 -5.492 -11.753) 12.972 9.066 ( 0.000 -6.970 6.312) 9.403 9.116 ( 0.000 1.990 7.425) 7.687 9.157 ( 0.000 -6.526 2.907) 7.144 9.372 ( 0.000 -6.136 2.497) 6.624 9.403 ( 0.000 -9.233 0.936) 9.280 9.650 ( 0.000 8.472 -10.476) 13.473 9.804 ( 0.000 -4.623 -7.851) 9.111 10.722 ( 0.000 13.963 19.104) 23.663 10.965 ( 0.000 -9.198 11.985) 15.108 11.173 ( 0.000 2.434 6.035) 6.507 11.225 ( 0.000 -2.493 8.248) 8.616 11.902 ( 0.000 -0.679 -6.260) 6.297 11.913 ( 0.000 -1.262 -6.475) 6.596 12.423 ( 0.000 16.436 -17.116) 23.730 12.586 ( 0.000 30.737 -4.865) 31.119 12.785 ( 0.000 14.226 -17.416) 22.488 12.835 ( 0.000 42.673 -6.627) 43.185 13.307 ( 0.000 13.655 2.429) 13.870 13.545 ( 0.000 15.625 -8.482) 17.779 13.549 ( 0.000 -28.807 -2.892) 28.952 13.591 ( 0.000 -22.093 -2.084) 22.191 13.830 ( 0.000 -37.852 -1.599) 37.886 13.971 ( 0.000 -27.167 -6.140) 27.852 14.298 ( 0.000 11.111 19.955) 22.840 14.525 ( 0.000 -10.655 15.655) 18.937 14.921 ( 0.000 12.200 -4.355) 12.954 15.108 ( 0.000 -3.119 -8.518) 9.071 15.623 ( 0.000 -4.150 17.633) 18.115 15.718 ( 0.000 -10.048 11.313) 15.131 16.133 ( 0.000 4.856 0.396) 4.872 16.238 ( 0.000 -5.118 0.328) 5.129 17.530 ( 0.000 9.411 -2.665) 9.781 17.731 ( 0.000 -9.418 -2.912) 9.857 17.823 ( 0.000 8.923 -6.861) 11.255 18.023 ( 0.000 -9.977 -5.372) 11.331 18.456 ( 0.000 13.137 4.191) 13.789 18.718 ( 0.000 -11.133 2.139) 11.337 19.171 ( 0.000 0.864 -11.794) 11.826 19.178 ( 0.000 0.351 -21.342) 21.345 21.685 ( 0.000 1.662 22.878) 22.938 21.759 ( 0.000 -4.952 15.768) 16.527 22.616 ( 0.000 5.397 -6.680) 8.588 22.761 ( 0.000 -8.692 -7.593) 11.542 ======================= Grid point 144 (56/90) ======================= q-point: ( 0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 7.553 27.098 9.525) 29.700 3.354 ( 8.172 24.955 11.906) 28.832 3.681 ( 5.363 -23.173 5.558) 24.426 3.762 ( 3.941 -4.446 0.469) 5.960 4.184 ( 0.636 -5.713 -7.701) 9.609 4.223 ( 4.398 -10.112 -0.847) 11.060 4.400 ( -1.072 9.357 -0.541) 9.434 4.478 ( -2.575 3.068 -8.355) 9.266 4.924 ( -4.765 15.916 2.339) 16.778 5.151 ( 5.165 9.241 1.813) 10.740 5.238 ( -2.686 -3.753 0.472) 4.639 5.361 ( 5.278 0.637 6.580) 8.459 5.800 ( -0.322 14.349 -6.870) 15.912 5.883 ( 2.306 12.784 -15.368) 20.123 6.022 ( -0.017 -3.812 -5.289) 6.520 6.221 ( -0.422 -12.377 -11.026) 16.581 6.500 ( -5.959 25.040 -2.788) 25.890 7.014 ( -15.086 -11.032 17.751) 25.776 7.093 ( -3.987 11.342 8.463) 14.702 7.339 ( -4.970 1.712 -5.028) 7.274 7.520 ( -2.109 -17.432 7.947) 19.274 7.723 ( -2.986 -12.511 0.697) 12.881 7.826 ( -1.270 7.310 6.089) 9.598 7.902 ( -1.527 1.083 10.146) 10.317 8.445 ( 1.122 7.211 -1.797) 7.516 8.581 ( -1.208 -6.873 -2.550) 7.430 8.783 ( 1.083 3.967 -1.466) 4.366 8.868 ( 0.040 -1.527 -0.828) 1.738 9.015 ( 1.228 2.201 0.759) 2.632 9.052 ( 3.957 5.420 -0.886) 6.769 9.212 ( 11.475 -1.994 -4.127) 12.357 9.323 ( 3.480 -12.029 0.245) 12.525 9.525 ( 16.641 1.277 7.264) 18.202 9.653 ( 22.304 -8.210 4.168) 24.130 9.840 ( 19.067 6.565 -4.137) 20.585 9.952 ( 14.578 -3.113 -5.111) 15.758 10.699 ( -2.339 13.064 18.465) 22.740 10.931 ( -3.517 -8.827 11.898) 15.226 11.196 ( 2.885 1.982 6.943) 7.776 11.245 ( 3.391 -2.186 7.981) 8.943 11.930 ( 5.401 4.584 -7.375) 10.226 12.040 ( 10.141 -5.096 -8.520) 14.191 12.398 ( -2.273 15.819 -15.582) 22.321 12.587 ( -0.407 21.594 -7.581) 22.890 12.799 ( 1.581 16.022 -14.709) 21.807 12.867 ( 3.374 46.612 -4.060) 46.910 13.290 ( -1.819 12.776 2.442) 13.134 13.462 ( -3.469 -3.492 -5.527) 7.401 13.574 ( -0.712 -13.124 -0.794) 13.167 13.661 ( 5.515 -14.480 -6.309) 16.730 13.863 ( 3.111 -34.057 -1.127) 34.217 13.994 ( 2.222 -26.235 -5.964) 26.996 14.329 ( 3.171 8.172 17.692) 19.744 14.535 ( 1.072 -10.166 14.745) 17.942 14.919 ( -0.308 10.798 -5.063) 11.930 15.081 ( -2.821 -2.350 -7.681) 8.514 15.570 ( -5.204 -5.713 16.323) 18.060 15.632 ( -8.442 -8.669 11.668) 16.809 16.067 ( -6.703 5.363 0.415) 8.594 16.176 ( -6.314 -4.807 0.329) 7.942 17.268 ( -22.765 9.142 -3.473) 24.776 17.460 ( -23.891 -9.067 -2.603) 25.686 17.540 ( -22.480 8.453 -6.444) 24.866 17.735 ( -23.679 -9.785 -4.810) 26.069 18.730 ( 21.756 11.619 3.489) 24.910 18.966 ( 19.600 -10.443 2.122) 22.310 19.406 ( 20.610 1.275 -12.041) 23.903 19.440 ( 22.187 -2.133 -17.532) 28.358 21.667 ( -1.880 1.917 20.913) 21.085 21.746 ( -1.451 -5.147 14.474) 15.431 22.527 ( -9.168 5.033 -6.105) 12.110 22.664 ( -9.926 -8.282 -6.999) 14.701 ======================= Grid point 145 (57/90) ======================= q-point: ( 0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 13.323 24.084 3.535) 27.750 3.523 ( 8.269 21.009 7.036) 23.648 3.810 ( 6.300 -15.602 3.648) 17.217 3.830 ( 3.373 -6.110 -3.431) 7.777 4.198 ( 1.664 -1.660 -6.679) 7.080 4.290 ( -5.226 7.394 -6.252) 11.003 4.342 ( 1.901 -4.888 -1.298) 5.403 4.485 ( 3.216 -6.548 -1.115) 7.379 4.853 ( -2.086 11.948 6.152) 13.600 5.119 ( -7.595 -9.251 -2.453) 12.218 5.222 ( -2.245 8.702 4.442) 10.024 5.435 ( 1.122 -8.056 4.744) 9.416 5.814 ( 1.720 15.825 -0.895) 15.943 5.917 ( 0.566 11.334 -5.491) 12.607 6.024 ( 1.177 4.478 -4.390) 6.380 6.266 ( 5.389 -8.339 -3.902) 10.668 6.380 ( -2.278 10.275 0.901) 10.563 6.629 ( -20.101 -10.453 15.021) 27.184 7.141 ( 3.739 7.996 10.427) 13.662 7.225 ( -5.541 12.792 -12.112) 18.467 7.456 ( -7.839 -8.367 -2.265) 11.687 7.574 ( -7.918 -19.832 3.119) 21.580 7.731 ( -7.245 5.830 3.858) 10.068 7.878 ( -2.484 -4.723 5.417) 7.604 8.519 ( 6.182 10.929 -2.877) 12.882 8.649 ( 6.570 -1.181 -5.509) 8.655 8.812 ( 3.018 -2.612 -3.784) 5.500 8.849 ( 0.676 -4.334 -6.838) 8.124 9.075 ( 3.461 6.184 6.287) 9.474 9.212 ( 7.290 -0.894 0.591) 7.368 9.336 ( 2.418 -2.279 1.254) 3.551 9.431 ( 10.005 -5.757 -3.769) 12.143 9.942 ( 22.558 8.332 8.162) 25.395 10.124 ( 23.000 -8.211 5.261) 24.982 10.263 ( 22.265 3.081 -0.745) 22.489 10.312 ( 21.029 0.072 -1.705) 21.098 10.647 ( -1.689 9.453 17.270) 19.760 10.839 ( -5.479 -7.592 12.701) 15.779 11.330 ( 13.124 5.200 6.521) 15.550 11.427 ( 16.649 -3.337 5.366) 17.808 12.108 ( 12.694 8.785 -10.890) 18.892 12.217 ( 2.202 4.379 -16.425) 17.140 12.411 ( 9.344 2.922 -8.530) 12.985 12.554 ( -2.522 4.420 -10.105) 11.314 12.853 ( 3.975 27.021 -5.191) 27.801 12.958 ( 5.833 44.957 -2.454) 45.400 13.240 ( -3.174 13.001 2.622) 13.637 13.416 ( -1.631 0.703 -4.006) 4.382 13.559 ( -0.572 -11.801 1.646) 11.929 13.769 ( 5.714 -12.904 -7.248) 15.865 13.925 ( 2.661 -22.001 -1.317) 22.200 14.047 ( 2.706 -25.430 -5.780) 26.219 14.405 ( 3.956 1.437 12.434) 13.127 14.565 ( 1.849 -9.731 11.494) 15.173 14.906 ( -1.188 7.492 -6.574) 10.038 15.005 ( -4.697 -1.094 -4.824) 6.822 15.417 ( -11.392 -5.131 12.242) 17.492 15.457 ( -7.225 -9.606 12.973) 17.686 15.883 ( -12.068 6.813 0.821) 13.883 16.005 ( -11.047 -4.339 0.679) 11.888 16.799 ( -23.731 6.379 -3.645) 24.842 16.938 ( -28.063 -6.503 -2.465) 28.912 17.084 ( -24.503 4.854 -6.225) 25.743 17.237 ( -26.736 -8.652 -5.019) 28.546 19.174 ( 23.394 8.321 4.864) 25.301 19.359 ( 20.491 -9.075 3.584) 22.696 19.832 ( 21.860 1.301 -9.070) 23.703 19.893 ( 22.894 -4.786 -14.999) 27.785 21.611 ( -3.994 2.467 15.910) 16.588 21.699 ( -3.503 -5.520 10.666) 12.510 22.273 ( -16.733 4.208 -4.505) 17.833 22.393 ( -17.712 -7.324 -5.383) 19.909 ======================= Grid point 146 (58/90) ======================= q-point: ( 0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.570 ( 11.621 18.665 0.360) 21.990 3.648 ( 4.418 15.147 0.936) 15.806 3.857 ( 0.743 -3.522 0.355) 3.617 3.919 ( 3.776 -11.908 2.391) 12.719 4.154 ( -4.773 10.680 -5.127) 12.772 4.280 ( 3.849 -0.628 -3.835) 5.470 4.371 ( 1.840 -2.046 -3.352) 4.337 4.540 ( -0.019 -18.621 -0.310) 18.624 4.850 ( 1.339 8.563 5.998) 10.540 4.956 ( -8.508 -0.493 2.238) 8.811 5.085 ( -8.554 3.403 4.417) 10.211 5.368 ( -8.553 -16.233 5.648) 19.198 5.776 ( -3.510 9.259 2.919) 10.324 5.912 ( -2.442 -0.629 3.363) 4.203 6.176 ( 14.438 13.167 -3.970) 19.939 6.272 ( -6.268 9.607 5.220) 12.603 6.447 ( 10.547 -12.195 -3.901) 16.588 6.518 ( 7.526 -4.940 5.365) 10.479 7.026 ( -9.702 10.820 -11.902) 18.784 7.161 ( -12.583 -0.662 -7.741) 14.789 7.280 ( -0.930 1.345 1.061) 1.950 7.461 ( -6.103 -3.855 1.512) 7.376 7.609 ( -6.643 -3.769 5.377) 9.340 7.765 ( -9.104 -9.894 2.925) 13.759 8.639 ( 5.876 13.813 -4.636) 15.711 8.764 ( 2.857 9.109 -6.827) 11.737 8.854 ( 7.588 -4.375 -2.569) 9.128 9.003 ( 7.793 -7.550 -1.146) 10.911 9.140 ( 4.490 1.618 4.318) 6.436 9.233 ( 0.429 -5.444 8.016) 9.699 9.486 ( 8.464 5.268 -2.571) 10.296 9.579 ( 4.787 -3.214 -4.298) 7.192 10.240 ( 7.585 8.074 8.587) 14.016 10.404 ( 6.083 -6.129 10.574) 13.653 10.503 ( -0.225 6.793 13.700) 15.294 10.637 ( 3.017 -3.893 5.132) 7.113 10.838 ( 18.324 0.723 6.567) 19.479 10.872 ( 24.118 -1.991 2.685) 24.349 11.729 ( 25.102 9.330 -3.342) 26.988 11.848 ( 22.151 -1.474 -3.511) 22.476 12.160 ( -1.961 12.180 -9.353) 15.482 12.327 ( 4.880 -0.517 -10.526) 11.614 12.580 ( 13.726 8.280 -6.818) 17.420 12.751 ( 19.710 -2.308 -10.072) 22.254 12.938 ( 4.442 33.029 1.903) 33.381 13.078 ( 5.832 31.936 -0.916) 32.477 13.188 ( -0.514 17.950 3.974) 18.392 13.388 ( -1.427 1.813 -1.185) 2.594 13.556 ( 0.124 -13.428 3.620) 13.908 13.876 ( 4.552 -14.647 -6.502) 16.659 13.950 ( 0.083 -5.391 -5.059) 7.394 14.065 ( -1.927 -21.030 -5.440) 21.807 14.443 ( -0.713 -3.337 6.951) 7.744 14.594 ( 0.620 -12.622 3.982) 13.249 14.870 ( -2.546 4.287 -6.944) 8.549 14.912 ( -5.327 -0.914 -1.190) 5.534 15.220 ( -7.323 -1.095 12.963) 14.929 15.343 ( -4.341 -12.448 8.532) 15.703 15.627 ( -13.422 8.376 3.043) 16.111 15.776 ( -11.884 -5.161 2.607) 13.216 16.390 ( -19.574 1.274 -4.655) 20.160 16.442 ( -21.092 -3.270 -2.501) 21.490 16.594 ( -26.121 3.475 -5.132) 26.847 16.746 ( -23.415 -9.051 -5.792) 25.763 19.619 ( 22.850 4.534 6.222) 24.112 19.748 ( 20.025 -7.519 5.060) 21.981 20.211 ( 16.917 0.966 -5.853) 17.927 20.283 ( 17.043 -6.162 -10.726) 21.059 21.513 ( -6.176 3.059 9.404) 11.659 21.609 ( -5.796 -5.783 5.043) 9.616 21.906 ( -20.529 3.556 -2.309) 20.962 22.010 ( -21.049 -6.396 -3.331) 22.250 ======================= Grid point 147 (59/90) ======================= q-point: ( 0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 2.698 10.357 1.191) 10.769 3.744 ( 5.891 9.469 0.119) 11.153 3.855 ( -0.794 -3.149 3.753) 4.963 3.951 ( -1.841 -10.700 1.458) 10.954 4.128 ( 2.932 7.726 2.465) 8.624 4.295 ( -1.767 0.650 2.946) 3.496 4.440 ( 0.300 -0.406 0.737) 0.893 4.469 ( -3.446 -9.341 3.657) 10.606 4.808 ( -2.146 6.865 2.074) 7.486 4.903 ( 1.863 -0.877 -1.230) 2.399 4.987 ( -2.735 -2.502 0.812) 3.795 5.143 ( -12.778 -12.371 4.743) 18.407 5.805 ( 6.660 2.107 -0.925) 7.046 5.884 ( 3.842 -5.096 -1.232) 6.500 6.172 ( -7.639 12.921 -3.340) 15.377 6.440 ( -4.831 -7.130 -7.987) 11.746 6.557 ( 11.199 2.325 2.898) 11.799 6.726 ( 14.104 -4.941 -2.843) 15.213 6.936 ( 3.918 7.125 -2.082) 8.393 7.019 ( -0.218 3.011 -5.153) 5.972 7.239 ( -3.683 -1.058 -0.714) 3.898 7.300 ( -10.266 3.547 -1.490) 10.963 7.437 ( -11.306 -7.686 3.460) 14.102 7.548 ( -12.723 -10.130 1.044) 16.297 8.764 ( 6.778 8.978 -1.810) 11.394 8.822 ( 4.922 6.284 0.568) 8.002 8.981 ( 0.793 1.602 5.110) 5.414 9.037 ( -1.926 0.300 7.147) 7.408 9.240 ( 8.608 3.602 -3.179) 9.858 9.377 ( 10.764 -7.480 -2.451) 13.334 9.579 ( -0.960 2.203 -4.828) 5.392 9.602 ( -1.072 0.348 -6.304) 6.404 10.313 ( 2.162 8.051 11.964) 14.582 10.418 ( -2.146 3.950 16.754) 17.347 10.500 ( -0.039 -6.116 14.828) 16.040 10.571 ( -4.067 -6.229 14.769) 16.537 11.288 ( 21.933 4.348 -6.375) 23.251 11.351 ( 23.498 -1.400 -3.383) 23.781 11.892 ( -9.589 7.070 -16.304) 20.193 11.967 ( -5.145 0.364 -18.152) 18.870 12.478 ( 26.545 13.140 3.754) 29.856 12.552 ( 21.714 4.926 7.044) 23.353 12.940 ( 13.358 19.232 -8.005) 24.747 12.987 ( 1.475 31.626 3.245) 31.826 13.051 ( 8.225 19.436 -7.027) 22.244 13.118 ( 4.095 12.871 7.040) 15.231 13.359 ( 2.097 5.326 1.279) 5.865 13.418 ( 19.693 -1.903 2.130) 19.899 13.560 ( 1.141 -16.857 1.159) 16.936 13.809 ( -10.877 -20.804 -0.275) 23.478 13.931 ( -10.569 -3.079 -5.307) 12.220 14.024 ( 3.163 -5.203 -10.588) 12.214 14.395 ( -2.673 -2.680 2.614) 4.600 14.588 ( 0.097 -13.058 -7.022) 14.827 14.748 ( -12.091 2.754 -2.437) 12.638 14.796 ( -6.067 0.065 -8.964) 10.824 15.179 ( 2.855 0.231 14.020) 14.309 15.304 ( 0.367 -9.739 6.691) 11.822 15.426 ( -6.093 1.882 8.857) 10.914 15.577 ( -8.422 -8.509 7.327) 14.036 16.033 ( -14.786 4.883 -4.856) 16.311 16.121 ( -20.953 8.228 -4.735) 23.003 16.185 ( -7.234 -8.313 -5.028) 12.113 16.360 ( -16.014 -12.141 -6.831) 21.225 20.048 ( 21.210 1.320 6.294) 22.163 20.130 ( 19.382 -6.405 5.408) 21.117 20.450 ( 6.384 0.097 -1.138) 6.485 20.518 ( 5.982 -6.629 -4.103) 9.827 21.384 ( -6.399 3.844 2.641) 7.918 21.480 ( -8.156 -3.672 -1.310) 9.040 21.540 ( -14.353 1.585 -0.364) 14.445 21.635 ( -16.113 -5.993 -2.172) 17.328 ======================= Grid point 148 (60/90) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.766 ( -3.511 5.181 4.747) 7.855 3.766 ( 3.511 5.181 4.747) 7.855 3.880 ( -3.974 -4.813 -0.265) 6.248 3.880 ( 3.974 -4.813 -0.265) 6.248 4.221 ( -5.262 8.033 7.965) 12.476 4.221 ( 5.262 8.033 7.965) 12.476 4.424 ( -3.354 -8.820 4.850) 10.609 4.424 ( 3.354 -8.820 4.850) 10.609 4.886 ( -7.119 1.879 -0.182) 7.365 4.886 ( 7.119 1.879 -0.182) 7.365 4.966 ( -3.204 -4.414 -2.248) 5.899 4.966 ( 3.204 -4.414 -2.248) 5.899 5.970 ( -10.385 5.400 -5.186) 12.802 5.970 ( 10.385 5.400 -5.186) 12.802 6.127 ( -17.622 -9.326 -7.362) 21.254 6.127 ( 17.622 -9.326 -7.362) 21.254 6.875 ( -13.817 9.016 1.840) 16.601 6.875 ( 13.817 9.016 1.840) 16.601 6.988 ( -9.456 2.883 -1.579) 10.011 6.988 ( 9.456 2.883 -1.579) 10.011 7.211 ( -8.961 -5.078 -0.035) 10.300 7.211 ( 8.961 -5.078 -0.035) 10.300 7.309 ( -10.715 -8.702 -0.929) 13.835 7.309 ( 10.715 -8.702 -0.929) 13.835 8.878 ( -3.557 8.349 3.064) 9.579 8.878 ( 3.557 8.349 3.064) 9.579 8.972 ( -3.377 0.020 5.855) 6.759 8.972 ( 3.377 0.020 5.855) 6.759 9.445 ( -10.398 4.983 -5.515) 12.782 9.445 ( 10.398 4.983 -5.515) 12.782 9.547 ( -6.112 -3.950 -5.791) 9.300 9.547 ( 6.112 -3.950 -5.791) 9.300 10.363 ( -3.074 6.588 15.581) 17.194 10.363 ( 3.074 6.588 15.581) 17.194 10.514 ( -1.815 -7.412 16.148) 17.860 10.514 ( 1.815 -7.412 16.148) 17.860 11.644 ( -15.002 6.538 -12.065) 20.332 11.644 ( 15.002 6.538 -12.065) 20.332 11.741 ( -15.908 -2.433 -10.860) 19.415 11.741 ( 15.908 -2.433 -10.860) 19.415 12.863 ( -5.194 31.502 0.779) 31.936 12.863 ( 5.194 31.502 0.779) 31.936 12.934 ( -4.656 18.818 0.715) 19.399 12.934 ( 4.656 18.818 0.715) 19.399 13.179 ( -5.229 1.022 7.676) 9.344 13.179 ( 5.229 1.022 7.676) 9.344 13.508 ( -11.839 1.339 0.412) 11.922 13.508 ( 11.839 1.339 0.412) 11.922 13.680 ( -10.138 -13.074 -1.832) 16.645 13.680 ( 10.138 -13.074 -1.832) 16.645 13.877 ( -19.540 -11.400 -5.718) 23.333 13.877 ( 19.540 -11.400 -5.718) 23.333 14.483 ( -12.161 5.826 -5.299) 14.488 14.483 ( 12.161 5.826 -5.299) 14.488 14.659 ( -6.379 -6.846 -10.999) 14.441 14.659 ( 6.379 -6.846 -10.999) 14.441 15.271 ( -4.893 0.640 12.107) 13.074 15.271 ( 4.893 0.640 12.107) 13.074 15.440 ( -6.176 -13.267 10.852) 18.219 15.440 ( 6.176 -13.267 10.852) 18.219 15.887 ( -1.526 11.666 -5.581) 13.022 15.887 ( 1.526 11.666 -5.581) 13.022 16.157 ( -4.540 -12.817 -7.124) 15.350 16.157 ( 4.540 -12.817 -7.124) 15.350 20.392 ( -12.447 -0.366 4.157) 13.128 20.392 ( 12.447 -0.366 4.157) 13.128 20.455 ( -12.272 -6.419 3.103) 14.192 20.455 ( 12.272 -6.419 3.103) 14.192 21.332 ( -2.630 4.779 -1.001) 5.546 21.332 ( 2.630 4.779 -1.001) 5.546 21.448 ( -2.684 -6.286 -3.310) 7.595 21.448 ( 2.684 -6.286 -3.310) 7.595 ======================= Grid point 198 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 0.000 0.000 33.596) 33.596 1.819 ( 0.000 0.000 44.076) 44.076 1.982 ( 0.000 0.000 -27.895) 27.895 2.650 ( 0.000 0.000 -40.259) 40.259 3.003 ( 0.000 0.000 37.728) 37.728 3.135 ( 0.000 0.000 -0.513) 0.513 3.270 ( 0.000 0.000 32.041) 32.041 4.450 ( 0.000 0.000 -58.049) 58.049 4.665 ( 0.000 0.000 21.066) 21.066 4.912 ( 0.000 0.000 12.971) 12.971 5.014 ( 0.000 0.000 1.158) 1.158 5.034 ( 0.000 0.000 4.189) 4.189 5.071 ( 0.000 0.000 -22.516) 22.516 5.185 ( 0.000 0.000 -10.214) 10.214 5.762 ( 0.000 0.000 3.235) 3.235 5.823 ( 0.000 0.000 -2.980) 2.980 5.840 ( 0.000 0.000 29.431) 29.431 6.491 ( 0.000 0.000 -35.647) 35.647 6.842 ( 0.000 0.000 1.598) 1.598 6.882 ( 0.000 0.000 -2.626) 2.626 7.186 ( 0.000 0.000 5.092) 5.092 7.314 ( 0.000 0.000 -7.204) 7.204 7.756 ( 0.000 0.000 4.547) 4.547 7.881 ( 0.000 0.000 -7.950) 7.950 8.475 ( 0.000 0.000 4.786) 4.786 8.580 ( 0.000 0.000 -5.468) 5.468 9.069 ( 0.000 0.000 7.632) 7.632 9.192 ( 0.000 0.000 -4.578) 4.578 9.235 ( 0.000 0.000 32.670) 32.670 9.410 ( 0.000 0.000 11.174) 11.174 9.499 ( 0.000 0.000 4.330) 4.330 9.537 ( 0.000 0.000 1.156) 1.156 9.583 ( 0.000 0.000 -7.188) 7.188 9.784 ( 0.000 0.000 -22.451) 22.451 9.850 ( 0.000 0.000 21.104) 21.104 9.936 ( 0.000 0.000 14.250) 14.250 10.223 ( 0.000 0.000 -13.634) 13.634 10.247 ( 0.000 0.000 -17.939) 17.939 11.016 ( 0.000 0.000 2.936) 2.936 11.076 ( 0.000 0.000 1.575) 1.575 11.099 ( 0.000 0.000 -0.762) 0.762 11.107 ( 0.000 0.000 -5.412) 5.412 11.521 ( 0.000 0.000 12.162) 12.162 11.784 ( 0.000 0.000 -14.059) 14.059 11.894 ( 0.000 0.000 14.735) 14.735 12.239 ( 0.000 0.000 -19.771) 19.771 13.187 ( 0.000 0.000 0.436) 0.436 13.197 ( 0.000 0.000 -0.614) 0.614 13.858 ( 0.000 0.000 12.154) 12.154 14.057 ( 0.000 0.000 -8.020) 8.020 14.296 ( 0.000 0.000 -1.333) 1.333 14.305 ( 0.000 0.000 -2.491) 2.491 15.148 ( 0.000 0.000 3.500) 3.500 15.149 ( 0.000 0.000 3.767) 3.767 15.579 ( 0.000 0.000 -0.857) 0.857 15.581 ( 0.000 0.000 -1.180) 1.180 15.930 ( 0.000 0.000 2.486) 2.486 15.976 ( 0.000 0.000 -2.077) 2.077 16.720 ( 0.000 0.000 12.470) 12.470 16.752 ( 0.000 0.000 9.257) 9.257 16.895 ( 0.000 0.000 -7.561) 7.561 17.062 ( 0.000 0.000 -18.390) 18.390 17.783 ( 0.000 0.000 4.107) 4.107 17.883 ( 0.000 0.000 -5.984) 5.984 18.503 ( 0.000 0.000 6.704) 6.704 18.619 ( 0.000 0.000 -5.045) 5.045 19.079 ( 0.000 0.000 1.324) 1.324 19.085 ( 0.000 0.000 0.633) 0.633 22.212 ( 0.000 0.000 6.312) 6.312 22.331 ( 0.000 0.000 -5.395) 5.395 23.577 ( 0.000 0.000 1.458) 1.458 23.606 ( 0.000 0.000 -1.445) 1.445 ======================= Grid point 199 (62/90) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 19.601 0.000 28.969) 34.978 1.855 ( 7.965 0.000 30.428) 31.453 2.200 ( 18.720 0.000 -20.116) 27.479 2.672 ( 3.570 0.000 -36.953) 37.125 3.315 ( 26.773 0.000 13.005) 29.764 3.350 ( 20.106 0.000 -0.448) 20.111 3.485 ( 24.138 0.000 48.982) 54.607 4.610 ( 15.787 0.000 -50.883) 53.276 4.725 ( 5.170 0.000 17.787) 18.523 4.881 ( -4.444 0.000 6.347) 7.749 4.900 ( -6.516 0.000 5.105) 8.277 4.960 ( -3.880 0.000 0.467) 3.908 5.165 ( -1.542 0.000 -6.725) 6.899 5.249 ( 12.168 0.000 -19.135) 22.676 5.648 ( -5.557 0.000 0.217) 5.561 5.660 ( -11.707 0.000 -1.795) 11.844 6.114 ( 20.377 0.000 29.584) 35.922 6.698 ( 13.459 0.000 -25.402) 28.747 6.812 ( -3.385 0.000 2.935) 4.481 6.902 ( 3.438 0.000 -9.629) 10.224 7.319 ( 13.662 0.000 3.537) 14.112 7.419 ( 10.477 0.000 -6.045) 12.096 7.689 ( -6.561 0.000 8.173) 10.481 7.885 ( 0.150 0.000 -11.250) 11.251 8.580 ( 9.495 0.000 4.014) 10.309 8.662 ( 6.949 0.000 -3.457) 7.761 9.017 ( -2.283 0.000 10.423) 10.670 9.144 ( -4.588 0.000 -3.242) 5.618 9.240 ( -2.402 0.000 21.812) 21.944 9.435 ( 2.289 0.000 7.003) 7.368 9.509 ( -3.067 0.000 -3.601) 4.730 9.537 ( -3.369 0.000 -1.638) 3.746 9.578 ( 9.184 0.000 9.274) 13.052 9.786 ( -5.599 0.000 15.730) 16.696 9.808 ( 4.190 0.000 -13.710) 14.336 9.979 ( 1.455 0.000 4.010) 4.266 10.151 ( -7.527 0.000 -9.418) 12.056 10.273 ( 5.009 0.000 -12.435) 13.406 10.949 ( -3.441 0.000 5.958) 6.881 11.062 ( -1.376 0.000 -5.071) 5.254 11.124 ( 1.620 0.000 1.393) 2.137 11.150 ( 2.009 0.000 -1.600) 2.568 11.459 ( -5.298 0.000 14.452) 15.392 11.742 ( -3.601 0.000 -13.923) 14.381 11.891 ( -0.326 0.000 15.404) 15.408 12.250 ( 0.916 0.000 -20.575) 20.595 13.263 ( 6.850 0.000 0.061) 6.850 13.278 ( 6.982 0.000 -1.838) 7.220 13.848 ( -0.615 0.000 12.026) 12.042 14.044 ( -0.719 0.000 -7.949) 7.981 14.280 ( -2.861 0.000 -0.592) 2.922 14.300 ( -0.785 0.000 -2.011) 2.159 15.099 ( -3.481 0.000 3.885) 5.216 15.122 ( -2.611 0.000 2.263) 3.455 15.536 ( -3.558 0.000 1.771) 3.974 15.577 ( -0.049 0.000 -2.333) 2.333 15.833 ( -9.982 0.000 1.799) 10.143 15.876 ( -10.213 0.000 -2.407) 10.493 16.495 ( -16.170 0.000 3.492) 16.543 16.545 ( -18.722 0.000 -0.706) 18.735 16.664 ( -5.750 0.000 12.554) 13.808 16.966 ( -8.294 0.000 -17.333) 19.215 18.076 ( -23.942 0.000 5.907) 24.659 18.151 ( -5.203 0.000 -0.561) 5.233 18.377 ( 17.920 0.000 7.681) 19.497 18.668 ( 47.856 0.000 -22.375) 52.828 19.432 ( 24.357 0.000 1.330) 24.394 19.454 ( 27.560 0.000 -1.328) 27.592 22.180 ( -3.342 0.000 5.126) 6.119 22.276 ( -5.618 0.000 -4.399) 7.135 23.378 ( -20.983 0.000 4.805) 21.526 23.416 ( -15.873 0.000 -0.220) 15.874 ======================= Grid point 200 (63/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 27.773 0.000 19.550) 33.964 2.142 ( 20.463 0.000 15.437) 25.633 2.648 ( 27.009 0.000 -16.165) 31.476 2.819 ( 12.062 0.000 -26.477) 29.095 3.815 ( 25.413 0.000 0.681) 25.422 3.829 ( 26.832 0.000 -0.185) 26.833 4.196 ( 42.994 0.000 42.619) 60.538 4.680 ( -11.608 0.000 1.686) 11.730 4.729 ( -6.753 0.000 -0.728) 6.792 4.847 ( 0.735 0.000 3.364) 3.443 4.997 ( 9.791 0.000 5.220) 11.095 5.027 ( 21.458 0.000 -23.007) 31.461 5.157 ( 1.133 0.000 3.646) 3.818 5.333 ( -8.364 0.000 -2.537) 8.740 5.567 ( -1.685 0.000 -3.544) 3.925 5.665 ( 18.423 0.000 -21.176) 28.069 6.551 ( 23.662 0.000 30.295) 38.441 6.706 ( -7.401 0.000 3.659) 8.256 6.753 ( -5.202 0.000 -3.168) 6.090 7.120 ( 15.448 0.000 -22.701) 27.459 7.529 ( -7.750 0.000 15.316) 17.165 7.645 ( 15.918 0.000 -2.999) 16.198 7.664 ( 12.439 0.000 -3.895) 13.035 7.878 ( -0.567 0.000 -18.078) 18.087 8.727 ( 2.143 0.000 1.654) 2.707 8.727 ( -1.566 0.000 2.971) 3.358 9.001 ( -5.164 0.000 4.542) 6.877 9.041 ( -6.019 0.000 -0.432) 6.034 9.190 ( 2.149 0.000 12.298) 12.485 9.422 ( -5.166 0.000 -7.026) 8.720 9.473 ( -0.304 0.000 2.521) 2.539 9.495 ( -2.376 0.000 0.486) 2.425 9.703 ( -0.059 0.000 7.127) 7.127 9.813 ( -6.260 0.000 -6.261) 8.854 9.846 ( 18.342 0.000 8.653) 20.281 10.019 ( 5.177 0.000 -3.448) 6.220 10.150 ( 11.236 0.000 8.608) 14.154 10.419 ( 10.758 0.000 -13.665) 17.391 10.903 ( -1.825 0.000 8.589) 8.781 11.052 ( 0.244 0.000 -6.810) 6.815 11.111 ( -3.210 0.000 3.402) 4.677 11.172 ( 0.024 0.000 -2.702) 2.703 11.369 ( -2.910 0.000 17.806) 18.042 11.689 ( -0.706 0.000 -14.116) 14.134 11.892 ( 1.303 0.000 16.182) 16.234 12.267 ( 0.912 0.000 -21.355) 21.374 13.387 ( 4.419 0.000 0.748) 4.482 13.422 ( 7.544 0.000 -3.294) 8.232 13.877 ( 5.245 0.000 10.119) 11.397 14.046 ( 0.733 0.000 -6.579) 6.620 14.191 ( -6.197 0.000 2.900) 6.842 14.245 ( -4.020 0.000 -1.894) 4.444 15.055 ( -1.951 0.000 0.868) 2.136 15.060 ( -3.904 0.000 0.820) 3.989 15.483 ( -1.785 0.000 7.566) 7.774 15.554 ( -17.971 0.000 0.395) 17.975 15.561 ( -10.009 0.000 -1.434) 10.111 15.626 ( -6.615 0.000 -5.684) 8.722 16.265 ( -8.299 0.000 1.947) 8.525 16.316 ( -6.825 0.000 -2.890) 7.412 16.522 ( -8.350 0.000 9.442) 12.604 16.759 ( -12.457 0.000 -14.151) 18.853 17.556 ( -27.174 0.000 5.743) 27.774 17.656 ( -29.399 0.000 -4.301) 29.712 19.122 ( 41.175 0.000 17.339) 44.677 19.545 ( 40.024 0.000 -24.126) 46.733 19.897 ( 23.449 0.000 3.309) 23.682 19.983 ( 26.184 0.000 -7.754) 27.308 22.085 ( -6.480 0.000 1.649) 6.686 22.117 ( -10.858 0.000 -1.513) 10.963 22.912 ( -25.409 0.000 9.213) 27.027 23.011 ( -24.943 0.000 -2.075) 25.029 ======================= Grid point 201 (64/90) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 26.127 0.000 7.169) 27.093 2.590 ( 25.069 0.000 2.384) 25.182 3.149 ( 22.244 0.000 -7.879) 23.598 3.205 ( 29.972 0.000 -10.868) 31.882 4.116 ( -2.327 0.000 3.622) 4.305 4.230 ( 4.799 0.000 -7.478) 8.886 4.561 ( 1.268 0.000 0.695) 1.446 4.563 ( 3.519 0.000 1.494) 3.823 4.870 ( 2.448 0.000 9.409) 9.723 4.907 ( 19.212 0.000 7.738) 20.712 5.119 ( -6.137 0.000 7.616) 9.781 5.178 ( 2.378 0.000 7.608) 7.971 5.353 ( 27.053 0.000 -3.214) 27.244 5.470 ( 18.706 0.000 -10.811) 21.605 5.688 ( 18.760 0.000 15.124) 24.098 6.131 ( 25.486 0.000 -22.674) 34.112 6.504 ( -12.117 0.000 7.239) 14.115 6.612 ( -5.750 0.000 -6.398) 8.602 7.023 ( 23.357 0.000 20.993) 31.405 7.288 ( -3.233 0.000 8.294) 8.902 7.500 ( 8.079 0.000 -9.638) 12.577 7.741 ( -4.590 0.000 -19.840) 20.364 7.875 ( 8.637 0.000 2.495) 8.991 7.952 ( 7.954 0.000 -6.128) 10.041 8.598 ( -15.876 0.000 -0.909) 15.902 8.623 ( -11.693 0.000 -3.857) 12.313 8.838 ( -4.710 0.000 7.255) 8.650 8.920 ( -4.556 0.000 -0.948) 4.654 9.227 ( -2.111 0.000 1.911) 2.848 9.282 ( -11.014 0.000 -3.184) 11.465 9.369 ( -9.542 0.000 1.372) 9.640 9.385 ( -7.157 0.000 0.888) 7.212 9.817 ( 7.138 0.000 1.280) 7.252 9.819 ( 10.022 0.000 0.435) 10.031 10.114 ( 6.430 0.000 12.700) 14.235 10.208 ( 14.473 0.000 0.381) 14.478 10.477 ( 15.713 0.000 6.057) 16.840 10.727 ( 21.305 0.000 -14.967) 26.036 10.860 ( -2.902 0.000 12.383) 12.718 11.015 ( -5.255 0.000 5.999) 7.975 11.069 ( 1.964 0.000 -8.582) 8.804 11.148 ( -2.417 0.000 -7.631) 8.004 11.349 ( -0.774 0.000 21.152) 21.166 11.735 ( 4.434 0.000 -16.916) 17.488 12.033 ( 17.217 0.000 11.502) 20.705 12.320 ( 7.125 0.000 -17.300) 18.710 13.433 ( 1.993 0.000 7.069) 7.345 13.566 ( 7.397 0.000 -6.510) 9.854 13.994 ( -3.994 0.000 2.352) 4.635 14.014 ( -5.468 0.000 0.368) 5.480 14.128 ( 9.927 0.000 5.714) 11.454 14.240 ( 5.572 0.000 -5.291) 7.684 14.882 ( -19.866 0.000 1.070) 19.895 14.904 ( -18.521 0.000 -0.839) 18.540 15.206 ( -12.085 0.000 1.986) 12.247 15.233 ( -14.034 0.000 -0.540) 14.044 15.498 ( 2.024 0.000 9.764) 9.972 15.661 ( 4.067 0.000 -6.844) 7.961 16.126 ( -7.627 0.000 2.209) 7.940 16.217 ( -5.118 0.000 -6.662) 8.401 16.374 ( -5.966 0.000 5.808) 8.326 16.527 ( -10.165 0.000 -9.207) 13.715 17.072 ( -22.360 0.000 1.474) 22.408 17.102 ( -27.211 0.000 -1.427) 27.249 19.869 ( 35.976 0.000 16.556) 39.603 20.213 ( 29.999 0.000 -13.820) 33.029 20.334 ( 22.117 0.000 3.702) 22.424 20.440 ( 21.029 0.000 -11.173) 23.813 21.864 ( -15.179 0.000 3.076) 15.488 21.935 ( -8.827 0.000 -3.935) 9.664 22.437 ( -23.589 0.000 5.578) 24.240 22.495 ( -27.972 0.000 -0.882) 27.986 ======================= Grid point 202 (65/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 22.749 0.000 0.380) 22.752 3.082 ( 25.542 0.000 -5.274) 26.081 3.643 ( 27.422 0.000 5.236) 27.918 3.770 ( 27.895 0.000 -6.310) 28.600 3.854 ( -19.011 0.000 3.573) 19.344 3.994 ( -19.995 0.000 -10.831) 22.740 4.514 ( -12.920 0.000 6.219) 14.339 4.580 ( -8.971 0.000 -1.142) 9.044 4.943 ( 5.701 0.000 12.838) 14.047 5.136 ( 2.951 0.000 11.073) 11.459 5.147 ( 12.118 0.000 -6.343) 13.677 5.322 ( 8.836 0.000 -4.460) 9.898 5.728 ( 13.939 0.000 1.371) 14.007 5.794 ( 16.416 0.000 -2.867) 16.665 6.254 ( -12.733 0.000 11.183) 16.947 6.309 ( -5.041 0.000 -0.665) 5.084 6.368 ( 42.483 0.000 15.713) 45.295 6.837 ( 23.952 0.000 -21.028) 31.873 7.195 ( -3.270 0.000 7.641) 8.311 7.367 ( 6.997 0.000 1.322) 7.121 7.552 ( -2.062 0.000 -1.307) 2.441 7.623 ( -3.856 0.000 -15.556) 16.026 8.049 ( -0.024 0.000 0.483) 0.483 8.066 ( -7.601 0.000 -1.864) 7.827 8.228 ( -6.203 0.000 2.803) 6.807 8.348 ( -4.122 0.000 -9.313) 10.185 8.843 ( -0.773 0.000 -0.129) 0.783 8.869 ( -7.230 0.000 -3.523) 8.042 9.013 ( -9.881 0.000 6.865) 12.032 9.102 ( -7.360 0.000 -1.842) 7.587 9.199 ( -8.258 0.000 3.976) 9.165 9.250 ( -6.644 0.000 -0.603) 6.672 10.017 ( 12.373 0.000 1.705) 12.490 10.038 ( 11.924 0.000 -1.090) 11.974 10.251 ( 5.937 0.000 8.473) 10.346 10.337 ( 0.041 0.000 -2.607) 2.607 10.606 ( -0.759 0.000 16.986) 17.003 10.767 ( -7.163 0.000 18.907) 20.219 11.000 ( 3.343 0.000 -18.658) 18.955 11.003 ( 4.886 0.000 11.250) 12.265 11.090 ( -3.187 0.000 -13.456) 13.828 11.258 ( 18.091 0.000 -14.422) 23.136 11.280 ( -6.262 0.000 22.358) 23.218 11.748 ( -4.884 0.000 -24.336) 24.821 12.608 ( 39.620 0.000 3.085) 39.740 12.681 ( 31.115 0.000 -4.144) 31.390 13.517 ( 7.216 0.000 10.699) 12.905 13.709 ( 7.671 0.000 -8.361) 11.347 13.804 ( -12.948 0.000 4.748) 13.791 13.856 ( -11.463 0.000 -0.859) 11.495 14.316 ( -34.376 0.000 2.139) 34.442 14.360 ( -30.843 0.000 -1.837) 30.897 14.439 ( 11.634 0.000 -0.640) 11.652 14.451 ( 19.369 0.000 -1.687) 19.442 15.013 ( -12.145 0.000 3.633) 12.677 15.050 ( -8.246 0.000 -0.027) 8.247 15.563 ( 4.785 0.000 11.062) 12.052 15.755 ( 5.641 0.000 -8.312) 10.045 15.929 ( -12.642 0.000 3.875) 13.222 16.064 ( -10.168 0.000 -8.798) 13.446 16.324 ( 0.993 0.000 4.211) 4.327 16.433 ( 0.595 0.000 -6.519) 6.546 16.656 ( -18.017 0.000 2.701) 18.219 16.719 ( -14.161 0.000 -3.734) 14.645 20.493 ( 28.315 0.000 12.054) 30.774 20.707 ( 20.772 0.000 -3.650) 21.090 20.752 ( 20.660 0.000 0.879) 20.679 20.787 ( 14.514 0.000 -8.060) 16.602 21.554 ( -15.583 0.000 9.731) 18.372 21.766 ( -7.536 0.000 -11.056) 13.380 21.956 ( -27.494 0.000 3.238) 27.684 22.016 ( -19.668 0.000 -2.606) 19.840 ======================= Grid point 203 (66/90) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.457 ( -21.607 0.000 1.537) 21.662 3.457 ( 21.607 0.000 1.537) 21.662 3.562 ( -24.031 0.000 -8.965) 25.649 3.562 ( 24.031 0.000 -8.965) 25.649 4.147 ( -23.665 0.000 7.610) 24.859 4.147 ( 23.665 0.000 7.610) 24.859 4.260 ( -22.057 0.000 -3.661) 22.359 4.260 ( 22.057 0.000 -3.661) 22.359 5.080 ( -7.190 0.000 15.417) 17.011 5.080 ( 7.190 0.000 15.417) 17.011 5.349 ( -6.514 0.000 -10.554) 12.402 5.349 ( 6.514 0.000 -10.554) 12.402 5.997 ( -13.970 0.000 9.911) 17.128 5.997 ( 13.970 0.000 9.911) 17.128 6.116 ( -14.970 0.000 -2.536) 15.183 6.116 ( 14.970 0.000 -2.536) 15.183 7.113 ( -30.389 0.000 0.095) 30.390 7.113 ( 30.389 0.000 0.095) 30.390 7.136 ( -6.876 0.000 -0.162) 6.878 7.136 ( 6.876 0.000 -0.162) 6.878 7.711 ( -20.793 0.000 -6.907) 21.910 7.711 ( 20.793 0.000 -6.907) 21.910 7.717 ( -12.298 0.000 -6.320) 13.827 7.717 ( 12.298 0.000 -6.320) 13.827 8.512 ( -21.611 0.000 5.964) 22.419 8.512 ( 21.611 0.000 5.964) 22.419 8.617 ( -18.869 0.000 -4.468) 19.391 8.617 ( 18.869 0.000 -4.468) 19.391 9.052 ( -6.635 0.000 3.954) 7.724 9.052 ( 6.635 0.000 3.954) 7.724 9.122 ( -6.275 0.000 -1.957) 6.574 9.122 ( 6.275 0.000 -1.957) 6.574 10.237 ( -8.280 0.000 -0.523) 8.297 10.237 ( 8.280 0.000 -0.523) 8.297 10.246 ( -8.721 0.000 -1.389) 8.831 10.246 ( 8.721 0.000 -1.389) 8.831 10.628 ( -5.488 0.000 24.157) 24.773 10.628 ( 5.488 0.000 24.157) 24.773 11.037 ( -2.086 0.000 -16.874) 17.003 11.037 ( 2.086 0.000 -16.874) 17.003 11.137 ( -7.878 0.000 19.115) 20.675 11.137 ( 7.878 0.000 19.115) 20.675 11.567 ( -13.130 0.000 -23.538) 26.953 11.567 ( 13.130 0.000 -23.538) 26.953 13.368 ( -33.543 0.000 3.324) 33.707 13.368 ( 33.543 0.000 3.324) 33.707 13.401 ( -38.071 0.000 -0.616) 38.076 13.401 ( 38.071 0.000 -0.616) 38.076 13.759 ( -17.643 0.000 6.537) 18.815 13.759 ( 17.643 0.000 6.537) 18.815 13.887 ( -12.972 0.000 -5.738) 14.185 13.887 ( 12.972 0.000 -5.738) 14.185 14.734 ( -16.136 0.000 4.049) 16.636 14.734 ( 16.136 0.000 4.049) 16.636 14.813 ( -16.584 0.000 -3.538) 16.957 14.813 ( 16.584 0.000 -3.538) 16.957 15.698 ( -9.808 0.000 8.891) 13.238 15.698 ( 9.808 0.000 8.891) 13.238 15.883 ( -7.956 0.000 -9.016) 12.024 15.883 ( 7.956 0.000 -9.016) 12.024 16.411 ( -8.135 0.000 4.263) 9.185 16.411 ( 8.135 0.000 4.263) 9.185 16.515 ( -7.401 0.000 -6.177) 9.639 16.515 ( 7.401 0.000 -6.177) 9.639 20.914 ( -11.726 0.000 2.256) 11.940 20.914 ( 11.726 0.000 2.256) 11.941 20.941 ( -1.205 0.000 -0.400) 1.270 20.941 ( 1.205 0.000 -0.400) 1.270 21.490 ( -16.343 0.000 11.312) 19.877 21.490 ( 16.343 0.000 11.312) 19.877 21.735 ( -6.983 0.000 -12.722) 14.512 21.735 ( 6.983 0.000 -12.722) 14.512 ======================= Grid point 209 (67/90) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.000 34.574 23.132) 41.598 2.016 ( 0.000 17.668 40.352) 44.050 2.266 ( 0.000 24.329 -20.995) 32.135 2.799 ( 0.000 13.665 -38.685) 41.028 3.071 ( 0.000 9.271 41.982) 42.994 3.407 ( 0.000 22.356 -4.744) 22.854 3.607 ( 0.000 29.552 23.532) 37.776 4.513 ( 0.000 7.234 -48.089) 48.630 4.745 ( 0.000 7.494 16.787) 18.384 4.847 ( 0.000 -7.430 7.840) 10.802 4.885 ( 0.000 -10.242 1.459) 10.345 5.018 ( 0.000 -2.283 5.010) 5.506 5.124 ( 0.000 4.323 -21.433) 21.864 5.187 ( 0.000 1.225 -7.978) 8.071 5.747 ( 0.000 4.289 13.484) 14.150 5.797 ( 0.000 -3.255 27.080) 27.275 6.039 ( 0.000 13.613 -13.879) 19.441 6.428 ( 0.000 -5.859 -35.218) 35.702 7.110 ( 0.000 23.062 1.732) 23.127 7.148 ( 0.000 22.423 -2.472) 22.558 7.152 ( 0.000 -2.413 2.526) 3.494 7.218 ( 0.000 -6.760 -4.179) 7.948 7.827 ( 0.000 5.820 7.965) 9.865 7.994 ( 0.000 8.313 -8.987) 12.242 8.490 ( 0.000 1.538 4.925) 5.159 8.586 ( 0.000 0.591 -4.195) 4.236 9.044 ( 0.000 -2.294 8.346) 8.656 9.185 ( 0.000 -1.750 -5.484) 5.756 9.203 ( 0.000 -2.007 29.544) 29.612 9.421 ( 0.000 -6.684 7.866) 10.322 9.456 ( 0.000 0.192 13.642) 13.644 9.503 ( 0.000 -3.354 -0.191) 3.359 9.651 ( 0.000 3.866 -3.436) 5.172 9.747 ( 0.000 -1.886 -18.252) 18.349 9.884 ( 0.000 -4.365 10.626) 11.487 9.964 ( 0.000 13.741 11.122) 17.678 10.123 ( 0.000 -8.932 -12.294) 15.197 10.214 ( 0.000 1.125 -12.402) 12.453 11.050 ( 0.000 2.966 4.224) 5.161 11.091 ( 0.000 2.520 10.249) 10.554 11.165 ( 0.000 4.870 -6.284) 7.950 11.216 ( 0.000 10.233 -2.332) 10.495 11.539 ( 0.000 1.963 10.972) 11.146 11.785 ( 0.000 0.112 -13.309) 13.309 11.898 ( 0.000 -0.462 13.760) 13.768 12.216 ( 0.000 -2.063 -18.388) 18.503 13.071 ( 0.000 -3.910 8.499) 9.355 13.298 ( 0.000 1.502 -14.879) 14.954 13.951 ( 0.000 8.293 11.332) 14.043 14.143 ( 0.000 7.979 -7.863) 11.202 14.244 ( 0.000 -4.861 -1.292) 5.029 14.258 ( 0.000 -4.506 -2.911) 5.365 15.094 ( 0.000 -4.414 4.147) 6.056 15.114 ( 0.000 -3.862 2.804) 4.773 15.493 ( 0.000 -8.493 -0.414) 8.504 15.501 ( 0.000 -7.622 -1.188) 7.714 15.950 ( 0.000 1.848 2.469) 3.083 15.999 ( 0.000 1.896 -2.390) 3.051 16.582 ( 0.000 -10.058 9.054) 13.533 16.656 ( 0.000 -7.300 2.667) 7.772 17.000 ( 0.000 6.839 -1.307) 6.962 17.135 ( 0.000 5.763 -14.341) 15.455 17.832 ( 0.000 4.350 6.262) 7.624 18.013 ( 0.000 10.012 -12.793) 16.245 18.462 ( 0.000 -3.501 4.628) 5.803 18.560 ( 0.000 -5.173 -4.690) 6.983 19.069 ( 0.000 -0.779 1.946) 2.096 19.094 ( 0.000 0.385 -0.312) 0.496 22.200 ( 0.000 -1.169 7.182) 7.276 22.334 ( 0.000 0.293 -6.071) 6.078 23.215 ( 0.000 -26.880 17.589) 32.123 23.449 ( 0.000 -14.949 -8.113) 17.009 ======================= Grid point 210 (68/90) ======================= q-point: ( 0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 7.149 24.706 28.376) 38.298 2.116 ( 11.774 21.099 29.731) 38.311 2.396 ( 12.082 18.376 -22.053) 31.145 2.808 ( 2.648 12.262 -34.789) 36.981 3.420 ( 30.795 10.503 27.637) 42.691 3.601 ( 18.255 21.364 -2.752) 28.236 3.778 ( 17.794 26.632 28.138) 42.634 4.626 ( 9.606 3.380 -33.143) 34.672 4.781 ( 0.709 -0.056 7.248) 7.282 4.826 ( -3.811 -7.279 2.791) 8.677 4.897 ( 3.621 -1.988 1.703) 4.468 4.917 ( -3.117 3.471 5.104) 6.915 5.158 ( -2.392 0.372 -4.418) 5.037 5.268 ( 11.511 1.869 -20.458) 23.548 5.628 ( -5.532 4.104 8.258) 10.753 5.865 ( -10.498 11.469 -12.622) 20.026 6.049 ( 16.699 -4.673 28.260) 33.156 6.650 ( 14.281 -4.861 -30.690) 34.198 7.046 ( -3.507 17.170 3.145) 17.804 7.107 ( -0.232 14.379 -3.157) 14.723 7.283 ( 9.221 1.582 0.640) 9.377 7.320 ( 7.071 -3.458 -2.898) 8.387 7.784 ( -3.714 6.431 10.452) 12.821 7.997 ( 0.779 7.750 -10.963) 13.448 8.588 ( 8.490 0.782 4.045) 9.437 8.662 ( 5.802 0.252 -2.465) 6.309 9.005 ( -1.760 -1.282 9.542) 9.787 9.125 ( -6.422 -3.803 -1.345) 7.583 9.178 ( -2.697 -2.986 17.801) 18.250 9.397 ( -3.508 -8.526 2.004) 9.435 9.443 ( -0.213 -3.993 8.452) 9.351 9.561 ( 5.233 -1.241 1.524) 5.590 9.649 ( 1.216 6.933 0.846) 7.089 9.812 ( 3.480 3.328 -7.248) 8.702 9.871 ( 4.300 2.875 5.940) 7.876 9.998 ( 1.319 5.480 0.624) 5.671 10.177 ( -0.478 6.114 -5.225) 8.056 10.220 ( 7.194 -3.088 -8.167) 11.314 11.000 ( -2.846 4.244 6.222) 8.052 11.058 ( -2.530 1.505 0.922) 3.085 11.208 ( 1.540 5.878 0.566) 6.103 11.240 ( 2.270 9.125 -1.640) 9.545 11.504 ( -3.159 3.397 11.333) 12.246 11.751 ( -2.863 0.898 -12.813) 13.159 11.908 ( 1.067 0.999 14.339) 14.413 12.248 ( 2.642 -0.399 -19.963) 20.141 13.127 ( 5.264 -6.504 7.240) 11.065 13.322 ( 2.172 -1.556 -12.484) 12.766 13.922 ( -2.235 6.491 11.210) 13.145 14.103 ( -2.637 4.336 -7.063) 8.697 14.241 ( -1.719 -3.324 0.418) 3.765 14.287 ( 2.002 -0.435 -3.707) 4.235 15.062 ( -2.543 -3.346 4.000) 5.802 15.093 ( -1.980 -2.942 1.887) 4.017 15.469 ( -2.509 -6.728 0.762) 7.221 15.493 ( 0.274 -8.241 -1.484) 8.378 15.852 ( -10.087 1.833 2.148) 10.475 15.900 ( -10.159 1.947 -2.566) 10.658 16.450 ( -14.350 -4.568 2.998) 15.355 16.462 ( -11.600 -6.440 2.706) 13.541 16.732 ( -14.237 5.476 7.590) 17.037 16.982 ( -10.760 1.651 -16.344) 19.638 18.021 ( -21.131 -4.794 6.532) 22.631 18.132 ( -17.277 -2.810 -3.856) 17.924 18.397 ( 25.862 2.503 10.461) 28.009 18.720 ( 43.862 4.403 -23.438) 49.925 19.405 ( 23.983 -2.471 1.712) 24.171 19.438 ( 26.153 -1.602 -1.737) 26.259 22.165 ( -3.578 -1.380 6.000) 7.120 22.277 ( -5.885 0.043 -5.013) 7.731 23.064 ( -14.551 -22.925 17.639) 32.379 23.297 ( -14.953 -12.816 -7.702) 21.147 ======================= Grid point 211 (69/90) ======================= q-point: ( 0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 20.885 13.215 23.190) 33.890 2.439 ( 20.199 21.251 13.405) 32.238 2.705 ( 19.391 6.619 -18.730) 27.761 2.948 ( 12.815 11.036 -24.115) 29.454 4.003 ( 24.483 16.233 2.831) 29.512 4.036 ( 25.360 17.405 -1.355) 30.788 4.291 ( 31.983 9.978 33.060) 47.068 4.669 ( -10.141 -1.385 1.741) 10.382 4.709 ( -6.624 -3.056 -1.117) 7.380 4.791 ( 4.540 -4.832 -9.455) 11.548 4.907 ( 9.389 1.254 12.828) 15.946 5.117 ( -0.295 -0.971 0.059) 1.016 5.192 ( 17.426 6.386 -4.118) 19.011 5.484 ( 3.436 9.900 -17.744) 20.608 5.549 ( 1.306 3.596 4.208) 5.687 5.791 ( 9.202 8.365 -17.180) 21.208 6.364 ( 12.860 -11.140 24.670) 29.968 6.734 ( -6.062 -1.563 -9.348) 11.251 7.018 ( 0.395 17.538 5.072) 18.261 7.212 ( 11.149 9.566 -13.121) 19.697 7.402 ( 0.457 -6.488 2.690) 7.038 7.462 ( 8.138 -9.209 -3.615) 12.811 7.763 ( 3.330 4.143 8.772) 10.257 8.008 ( -1.021 6.334 -14.496) 15.852 8.703 ( -2.246 -2.607 2.359) 4.172 8.710 ( 1.082 -1.124 0.896) 1.800 8.928 ( -9.492 -5.814 7.269) 13.295 8.993 ( -5.052 -3.706 -0.760) 6.312 9.202 ( 6.116 1.215 8.825) 10.806 9.339 ( -3.128 -7.496 1.688) 8.296 9.428 ( -1.186 -0.971 -0.825) 1.741 9.534 ( -6.029 -2.916 -6.695) 9.470 9.793 ( 9.580 5.675 9.648) 14.733 9.905 ( 9.380 13.079 0.681) 16.110 10.019 ( 7.235 14.274 2.077) 16.137 10.128 ( 15.578 7.447 -5.997) 18.278 10.201 ( 5.745 8.376 9.672) 14.025 10.421 ( 12.957 1.058 -11.176) 17.143 10.964 ( -1.228 5.487 5.248) 7.691 11.009 ( -2.614 -0.558 -0.069) 2.674 11.207 ( -0.983 6.066 4.446) 7.585 11.271 ( 0.178 9.455 -2.825) 9.870 11.442 ( -2.815 5.621 13.011) 14.451 11.710 ( -0.424 2.267 -12.925) 13.129 11.951 ( 4.289 5.155 14.027) 15.548 12.300 ( 2.758 2.770 -20.512) 20.881 13.238 ( 5.250 -10.251 4.150) 12.242 13.365 ( 2.043 -7.170 -8.470) 11.284 13.911 ( 2.310 2.820 9.593) 10.262 14.063 ( -1.678 0.874 -5.230) 5.561 14.184 ( -3.652 -0.011 4.913) 6.121 14.293 ( -1.141 3.892 -5.097) 6.514 15.021 ( -2.488 -3.053 2.146) 4.485 15.045 ( -2.940 -1.733 0.260) 3.423 15.437 ( -0.418 -5.135 5.076) 7.233 15.507 ( -0.467 -6.831 -2.048) 7.147 15.571 ( -18.548 1.997 1.627) 18.726 15.628 ( -15.643 1.398 -3.938) 16.192 16.224 ( -8.471 -3.568 2.650) 9.566 16.280 ( -6.487 -3.915 -2.361) 7.936 16.511 ( -10.232 -0.221 8.332) 13.197 16.744 ( -13.679 -1.211 -14.303) 19.828 17.515 ( -27.039 -3.952 5.618) 27.897 17.615 ( -29.212 -3.896 -4.385) 29.795 19.128 ( 39.669 0.638 17.008) 43.166 19.545 ( 38.674 -0.061 -24.028) 45.531 19.863 ( 23.101 -3.197 3.454) 23.575 19.949 ( 25.613 -3.165 -7.152) 26.780 22.063 ( -6.908 -1.972 2.563) 7.627 22.111 ( -11.258 -0.574 -2.044) 11.456 22.712 ( -20.607 -15.705 15.174) 30.026 22.918 ( -23.327 -9.359 -6.636) 25.996 ======================= Grid point 212 (70/90) ======================= q-point: ( 0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 26.185 8.279 12.110) 30.014 2.839 ( 20.528 17.062 -4.462) 27.063 3.123 ( 24.218 -0.062 -1.999) 24.301 3.314 ( 24.109 7.986 -13.938) 28.971 4.221 ( -7.350 8.501 3.938) 11.907 4.345 ( -3.583 8.660 -8.426) 12.602 4.583 ( 3.778 1.244 3.652) 5.399 4.610 ( 4.453 4.558 0.199) 6.376 4.737 ( 12.464 -4.663 10.916) 17.212 4.893 ( 8.847 -3.298 -2.376) 9.736 5.090 ( 0.887 1.634 11.281) 11.434 5.281 ( 9.967 -3.563 -7.928) 13.225 5.394 ( 15.414 11.220 7.489) 20.483 5.613 ( 11.644 9.569 -9.973) 18.072 5.738 ( 23.402 6.733 20.646) 31.926 6.201 ( 25.001 5.934 -21.965) 33.804 6.409 ( -6.644 -10.082 11.602) 16.745 6.574 ( -7.563 -3.716 -4.468) 9.537 7.103 ( 6.606 4.640 17.321) 19.110 7.317 ( 0.778 4.192 6.093) 7.437 7.483 ( 6.057 -0.356 -14.479) 15.699 7.565 ( 2.161 -11.665 -10.501) 15.844 7.871 ( 6.432 -5.436 0.988) 8.479 7.952 ( -1.090 2.104 -7.866) 8.215 8.527 ( -16.959 -6.370 1.699) 18.196 8.572 ( -12.954 -4.633 -2.775) 14.034 8.852 ( 0.245 2.214 6.022) 6.421 8.916 ( -0.087 -0.293 -0.962) 1.009 9.188 ( -7.217 -3.335 1.068) 8.022 9.244 ( -12.340 -1.945 -4.511) 13.281 9.379 ( 0.378 2.893 4.030) 4.976 9.448 ( -3.781 3.869 -2.230) 5.851 9.991 ( 11.241 11.776 8.105) 18.185 10.075 ( 8.569 17.723 -2.846) 19.891 10.209 ( 7.318 14.698 10.372) 19.421 10.352 ( 13.576 12.767 -0.304) 18.638 10.543 ( 17.908 5.551 4.964) 19.394 10.736 ( 19.343 1.616 -9.766) 21.729 10.929 ( -2.525 6.728 2.073) 7.480 10.964 ( -1.173 -0.385 0.774) 1.456 11.198 ( 0.480 5.394 3.254) 6.318 11.255 ( -0.857 11.168 -3.785) 11.823 11.389 ( -3.157 5.179 16.873) 17.930 11.748 ( 3.527 1.896 -16.543) 17.021 12.142 ( 18.139 9.385 9.026) 22.329 12.389 ( 8.689 6.179 -15.562) 18.864 13.309 ( 2.766 -10.237 5.237) 11.827 13.420 ( 4.171 -12.073 -6.054) 14.135 13.980 ( -2.512 -1.992 4.029) 5.149 14.009 ( -1.319 0.282 0.675) 1.508 14.176 ( 6.173 2.818 4.152) 7.955 14.290 ( 2.794 4.169 -6.213) 7.987 14.877 ( -16.543 -0.881 2.003) 16.687 14.910 ( -15.761 0.337 -1.225) 15.812 15.213 ( -14.273 0.732 1.856) 14.412 15.232 ( -16.323 -0.057 -0.018) 16.323 15.456 ( 2.341 -4.175 8.760) 9.983 15.602 ( 4.546 -5.548 -6.205) 9.484 16.091 ( -6.859 -3.194 3.196) 8.213 16.193 ( -3.950 -2.782 -6.055) 7.746 16.330 ( -8.013 -3.556 5.102) 10.143 16.487 ( -11.474 -3.600 -9.681) 15.438 17.026 ( -23.465 -4.293 2.120) 23.949 17.069 ( -25.979 -3.107 -2.194) 26.256 19.851 ( 34.919 -1.648 16.385) 38.608 20.197 ( 29.419 -1.555 -14.355) 32.771 20.293 ( 21.762 -3.803 3.992) 22.450 20.400 ( 21.028 -3.712 -10.818) 23.937 21.850 ( -15.518 -1.248 2.455) 15.760 21.904 ( -9.397 -2.850 -2.865) 10.229 22.301 ( -21.771 -10.677 9.515) 26.048 22.436 ( -25.861 -6.342 -4.409) 26.990 ======================= Grid point 213 (71/90) ======================= q-point: ( 0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 24.268 7.350 4.136) 25.692 3.237 ( 21.348 11.868 -9.042) 26.045 3.624 ( 26.066 -1.144 8.021) 27.296 3.799 ( 22.013 2.876 -8.621) 23.816 3.944 ( -14.812 7.139 4.008) 16.924 4.079 ( -17.667 6.816 -9.525) 21.197 4.522 ( -13.075 0.818 5.164) 14.081 4.569 ( -9.368 -1.603 -0.001) 9.504 4.928 ( 7.208 -0.223 11.615) 13.672 5.098 ( 8.570 -1.342 -0.536) 8.691 5.182 ( 6.557 2.293 2.956) 7.549 5.362 ( 3.350 -0.175 -9.239) 9.830 5.722 ( 13.895 3.405 9.373) 17.103 5.856 ( 14.357 3.981 -3.499) 15.304 6.196 ( -7.141 -4.318 10.373) 13.313 6.335 ( 7.890 -0.631 -0.491) 7.930 6.408 ( 18.369 4.128 11.951) 22.300 6.782 ( 22.585 -4.975 -16.215) 28.245 7.119 ( -1.700 -7.197 9.191) 11.797 7.320 ( -12.982 -6.573 -6.577) 15.968 7.485 ( 5.088 -2.956 -1.890) 6.180 7.579 ( 2.474 -4.089 -9.856) 10.954 8.037 ( 2.490 0.268 -0.696) 2.599 8.054 ( 2.394 -0.027 -1.832) 3.015 8.156 ( -11.419 -5.237 6.017) 13.929 8.313 ( -5.009 -4.351 -8.910) 11.109 8.803 ( -9.342 -1.945 4.298) 10.465 8.882 ( -15.414 0.631 -3.849) 15.900 9.000 ( 0.608 1.571 5.879) 6.115 9.129 ( 3.814 5.616 -5.912) 9.003 9.325 ( -8.466 7.236 2.719) 11.464 9.357 ( -3.861 7.257 -0.446) 8.232 10.205 ( 10.332 10.439 6.190) 15.938 10.256 ( 10.125 18.233 -0.505) 20.862 10.348 ( 6.613 13.276 9.070) 17.385 10.495 ( 0.784 13.492 -4.519) 14.250 10.716 ( 1.903 7.878 14.453) 16.571 10.818 ( -5.570 9.182 10.848) 15.265 10.997 ( 4.373 1.895 1.185) 4.911 11.050 ( 4.200 5.323 -14.770) 16.252 11.200 ( -0.600 7.677 -1.084) 7.777 11.298 ( -1.285 3.567 15.493) 15.950 11.368 ( 10.161 8.779 -7.573) 15.416 11.766 ( -3.414 1.856 -23.421) 23.741 12.688 ( 35.706 7.374 2.038) 36.517 12.739 ( 28.900 5.396 -2.942) 29.547 13.387 ( 4.848 -10.575 7.904) 14.065 13.509 ( 4.249 -11.855 -2.917) 12.926 13.849 ( -7.298 0.587 2.820) 7.846 13.931 ( -6.967 3.130 -3.668) 8.473 14.311 ( -22.229 -1.016 2.379) 22.379 14.383 ( -18.967 0.200 -4.228) 19.434 14.471 ( 2.415 3.883 0.190) 4.576 14.473 ( 3.461 3.260 0.034) 4.755 14.986 ( -12.301 -2.492 3.881) 13.137 15.030 ( -8.975 -1.981 -0.324) 9.197 15.529 ( 5.304 -3.262 10.329) 12.061 15.707 ( 6.148 -4.698 -7.403) 10.708 15.907 ( -12.315 -2.145 4.273) 13.211 16.045 ( -11.007 -1.984 -8.558) 14.083 16.262 ( 1.335 -5.809 4.734) 7.611 16.379 ( 0.397 -5.018 -6.695) 8.376 16.611 ( -17.611 -4.159 2.937) 18.332 16.685 ( -14.688 -3.197 -4.563) 15.709 20.457 ( 27.433 -3.330 12.306) 30.251 20.680 ( 19.980 -2.681 -3.373) 20.439 20.704 ( 20.382 -4.464 1.463) 20.916 20.751 ( 15.071 -3.371 -9.488) 18.125 21.535 ( -15.783 -1.623 8.634) 18.063 21.722 ( -8.494 -4.102 -9.120) 13.121 21.867 ( -23.610 -7.112 5.108) 25.181 21.970 ( -20.783 -4.587 -4.617) 21.778 ======================= Grid point 214 (72/90) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( -20.660 6.701 2.894) 21.912 3.535 ( 20.660 6.701 2.894) 21.912 3.657 ( -20.629 7.812 -8.925) 23.796 3.657 ( 20.629 7.812 -8.925) 23.796 4.149 ( -21.124 0.773 8.043) 22.616 4.149 ( 21.124 0.773 8.043) 22.616 4.278 ( -18.455 1.020 -4.562) 19.038 4.278 ( 18.455 1.020 -4.562) 19.038 5.078 ( -7.870 -0.107 13.636) 15.745 5.078 ( 7.870 -0.107 13.636) 15.745 5.326 ( -7.002 -2.466 -10.562) 12.910 5.326 ( 7.002 -2.466 -10.562) 12.910 5.978 ( -10.645 -0.743 13.482) 17.194 5.978 ( 10.645 -0.743 13.482) 17.194 6.175 ( -11.723 4.420 -6.039) 13.909 6.175 ( 11.723 4.420 -6.039) 13.909 6.939 ( -21.758 -11.598 3.668) 24.927 6.939 ( 21.758 -11.598 3.668) 24.927 7.084 ( -4.863 -8.065 -8.829) 12.910 7.084 ( 4.863 -8.065 -8.829) 12.910 7.673 ( -14.537 0.478 3.066) 14.864 7.673 ( 14.537 0.478 3.067) 14.864 7.790 ( -13.960 0.877 -6.754) 15.533 7.790 ( 13.960 0.877 -6.754) 15.533 8.452 ( -15.313 -3.396 4.758) 16.391 8.452 ( 15.313 -3.396 4.758) 16.391 8.552 ( -10.259 -1.900 -5.937) 12.004 8.552 ( 10.259 -1.900 -5.937) 12.004 9.140 ( -9.692 6.892 5.893) 13.272 9.140 ( 9.692 6.892 5.893) 13.272 9.250 ( -6.768 8.715 -4.488) 11.912 9.250 ( 6.768 8.715 -4.488) 11.912 10.364 ( -4.701 8.691 5.362) 11.242 10.364 ( 4.701 8.691 5.362) 11.242 10.438 ( -5.504 16.078 -2.707) 17.208 10.438 ( 5.504 16.078 -2.707) 17.208 10.732 ( -1.906 12.618 17.944) 22.019 10.732 ( 1.906 12.618 17.944) 22.019 11.053 ( -1.397 3.990 -8.787) 9.751 11.053 ( 1.397 3.990 -8.787) 9.751 11.225 ( -3.558 6.550 11.550) 13.747 11.225 ( 3.558 6.550 11.550) 13.747 11.617 ( -11.342 4.601 -22.499) 25.613 11.617 ( 11.342 4.601 -22.499) 25.613 13.278 ( -21.703 -5.005 8.562) 23.862 13.278 ( 21.703 -5.005 8.562) 23.862 13.420 ( -29.371 -0.329 -5.951) 29.970 13.420 ( 29.371 -0.329 -5.951) 29.970 13.791 ( -12.123 2.745 6.584) 14.066 13.791 ( 12.123 2.745 6.584) 14.066 13.922 ( -8.783 2.698 -6.351) 11.170 13.922 ( 8.783 2.698 -6.351) 11.170 14.717 ( -15.011 -1.486 3.730) 15.539 14.717 ( 15.011 -1.486 3.730) 15.539 14.788 ( -16.224 -2.308 -3.037) 16.666 14.788 ( 16.224 -2.308 -3.037) 16.666 15.673 ( -10.060 -2.412 8.630) 13.472 15.673 ( 10.060 -2.412 8.630) 13.472 15.848 ( -8.617 -3.479 -8.317) 12.471 15.848 ( 8.617 -3.479 -8.317) 12.471 16.354 ( -7.745 -5.345 5.056) 10.683 16.354 ( 7.745 -5.345 5.056) 10.683 16.476 ( -7.032 -3.626 -7.100) 10.631 16.476 ( 7.032 -3.626 -7.100) 10.631 20.848 ( -8.399 -5.159 4.732) 10.934 20.848 ( 8.399 -5.159 4.732) 10.934 20.930 ( -1.408 -2.359 -3.522) 4.467 20.930 ( 1.408 -2.359 -3.522) 4.467 21.444 ( -13.582 -3.841 11.687) 18.325 21.444 ( 13.582 -3.841 11.687) 18.325 21.687 ( -6.540 -4.260 -12.295) 14.563 21.687 ( 6.540 -4.260 -12.295) 14.563 ======================= Grid point 220 (73/90) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 0.000 26.687 23.524) 35.575 2.498 ( 0.000 26.803 33.852) 43.178 2.848 ( 0.000 27.823 -13.627) 30.981 3.188 ( 0.000 22.430 -35.390) 41.900 3.451 ( 0.000 26.596 25.190) 36.632 3.902 ( 0.000 21.833 -15.570) 26.817 4.391 ( 0.000 41.378 17.316) 44.856 4.594 ( 0.000 -16.457 1.023) 16.489 4.600 ( 0.000 -15.078 0.712) 15.095 4.793 ( 0.000 17.532 -11.908) 21.194 4.978 ( 0.000 15.254 3.056) 15.558 5.000 ( 0.000 0.742 12.320) 12.342 5.206 ( 0.000 3.027 -8.881) 9.383 5.238 ( 0.000 3.191 -8.998) 9.547 5.771 ( 0.000 3.217 9.705) 10.224 5.908 ( 0.000 8.879 16.797) 19.000 6.262 ( 0.000 -8.749 -32.640) 33.792 6.294 ( 0.000 7.879 -20.729) 22.176 7.123 ( 0.000 -0.472 1.224) 1.312 7.143 ( 0.000 3.595 -0.385) 3.615 7.655 ( 0.000 24.883 2.309) 24.990 7.670 ( 0.000 24.279 0.000) 24.279 7.943 ( 0.000 3.831 11.294) 11.926 8.142 ( 0.000 4.211 -9.330) 10.236 8.537 ( 0.000 2.396 6.057) 6.514 8.622 ( 0.000 3.498 -1.894) 3.978 8.957 ( 0.000 -6.959 6.303) 9.389 9.018 ( 0.000 -14.930 2.149) 15.084 9.177 ( 0.000 -0.085 22.786) 22.786 9.309 ( 0.000 -2.646 6.405) 6.930 9.339 ( 0.000 -9.087 16.630) 18.951 9.409 ( 0.000 -4.764 -0.961) 4.860 9.597 ( 0.000 -6.975 -16.408) 17.829 9.668 ( 0.000 -9.229 -13.192) 16.100 9.781 ( 0.000 -5.321 2.316) 5.803 9.891 ( 0.000 -11.800 -7.867) 14.182 10.429 ( 0.000 28.625 15.733) 32.663 10.608 ( 0.000 36.155 -4.187) 36.397 11.128 ( 0.000 4.203 6.919) 8.096 11.231 ( 0.000 12.092 13.254) 17.941 11.264 ( 0.000 3.443 -3.818) 5.142 11.444 ( 0.000 9.433 -3.063) 9.918 11.624 ( 0.000 6.604 3.443) 7.448 11.789 ( 0.000 0.262 -10.853) 10.856 11.877 ( 0.000 -0.620 8.815) 8.836 12.166 ( 0.000 -2.021 -20.106) 20.207 13.031 ( 0.000 0.392 8.137) 8.146 13.272 ( 0.000 -2.430 -15.588) 15.776 14.095 ( 0.000 -9.256 -1.097) 9.321 14.118 ( 0.000 -8.706 -3.762) 9.484 14.169 ( 0.000 11.722 12.445) 17.097 14.360 ( 0.000 11.731 -6.870) 13.594 14.957 ( 0.000 -10.401 3.171) 10.873 14.975 ( 0.000 -9.942 2.099) 10.162 15.227 ( 0.000 -16.175 1.709) 16.265 15.270 ( 0.000 -12.866 -2.008) 13.022 15.999 ( 0.000 2.563 2.037) 3.273 16.034 ( 0.000 0.843 -1.445) 1.673 16.349 ( 0.000 -11.572 10.310) 15.499 16.487 ( 0.000 -8.237 -2.099) 8.500 17.150 ( 0.000 7.531 0.752) 7.568 17.275 ( 0.000 7.357 -11.551) 13.695 17.930 ( 0.000 3.486 8.162) 8.875 18.171 ( 0.000 1.986 -12.407) 12.565 18.374 ( 0.000 -5.089 0.689) 5.135 18.482 ( 0.000 1.849 -10.042) 10.211 19.038 ( 0.000 -2.470 2.697) 3.657 19.091 ( 0.000 -0.953 -2.136) 2.339 22.166 ( 0.000 -1.924 9.669) 9.859 22.344 ( 0.000 0.701 -7.922) 7.953 22.673 ( 0.000 -21.983 28.170) 35.733 23.082 ( 0.000 -17.947 -14.700) 23.199 ======================= Grid point 221 (74/90) ======================= q-point: ( 0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -1.233 28.322 29.652) 41.024 2.587 ( 9.410 22.809 22.869) 33.642 2.905 ( 5.132 27.094 -16.884) 32.334 3.142 ( -1.701 18.512 -32.190) 37.172 3.761 ( 26.797 21.121 20.813) 39.967 4.096 ( 17.495 22.290 -11.193) 30.466 4.455 ( 4.428 22.061 11.994) 25.499 4.571 ( -2.080 -14.711 -0.477) 14.865 4.643 ( 5.808 2.423 3.229) 7.073 4.813 ( 0.897 12.928 -6.100) 14.323 4.934 ( -2.049 4.464 14.345) 15.163 5.115 ( 10.616 13.040 0.967) 16.842 5.198 ( -3.020 3.113 -3.651) 5.669 5.316 ( 9.771 2.136 -12.006) 15.627 5.759 ( 0.361 7.526 0.761) 7.573 5.979 ( -0.438 0.431 8.327) 8.350 6.079 ( -0.958 6.379 -7.891) 10.192 6.514 ( 9.502 -7.289 -27.300) 29.811 7.144 ( 2.169 -0.846 1.454) 2.745 7.174 ( 3.216 2.706 -1.229) 4.379 7.625 ( -3.579 22.158 2.843) 22.624 7.641 ( -3.652 21.180 0.546) 21.499 7.886 ( -5.160 2.571 13.125) 14.335 8.117 ( -0.965 2.339 -9.822) 10.143 8.611 ( 4.855 0.604 5.218) 7.153 8.691 ( 3.639 2.681 -2.179) 5.018 8.952 ( -1.940 -3.836 5.822) 7.237 8.972 ( -4.300 -8.902 4.525) 10.872 9.072 ( -5.467 -10.778 10.842) 16.236 9.206 ( -5.406 -8.459 -1.341) 10.128 9.293 ( 4.521 -5.860 11.874) 13.991 9.526 ( -0.170 -2.961 -7.605) 8.163 9.709 ( 8.685 -0.503 -0.045) 8.700 9.794 ( 15.698 -3.077 -6.413) 17.235 9.894 ( 9.419 -1.230 2.592) 9.846 9.993 ( 10.394 -7.129 -6.575) 14.216 10.473 ( 4.496 25.564 14.665) 29.812 10.638 ( 3.097 35.628 -3.319) 35.916 11.113 ( -1.160 5.773 5.364) 7.966 11.176 ( -2.429 11.658 2.009) 12.076 11.346 ( 4.114 6.543 5.215) 9.324 11.441 ( 0.340 7.958 -0.373) 7.974 11.598 ( -2.235 6.282 4.004) 7.777 11.780 ( -0.469 1.677 -9.996) 10.146 11.935 ( 5.701 2.463 7.667) 9.866 12.229 ( 5.866 -1.189 -20.464) 21.322 13.033 ( 0.185 -1.686 7.102) 7.301 13.243 ( -2.848 -4.334 -13.597) 14.552 14.027 ( -4.901 -2.059 3.841) 6.559 14.094 ( -2.140 -5.740 -3.890) 7.257 14.201 ( 1.331 4.406 9.487) 10.545 14.385 ( 2.049 9.313 -7.720) 12.269 14.955 ( -0.576 -7.844 3.440) 8.584 14.984 ( 0.635 -8.375 1.594) 8.549 15.226 ( 0.165 -16.594 0.754) 16.612 15.252 ( -1.001 -12.952 -1.290) 13.055 15.905 ( -9.685 2.920 1.902) 10.293 15.936 ( -10.043 0.859 -1.125) 10.143 16.270 ( -7.195 -10.297 7.169) 14.463 16.350 ( -11.535 -5.510 -0.426) 12.790 16.871 ( -19.621 7.533 3.150) 21.252 17.044 ( -16.045 4.469 -13.659) 21.540 17.883 ( -21.227 -8.291 6.311) 23.647 18.017 ( -23.298 -7.837 -6.409) 25.403 18.490 ( 29.043 6.178 11.994) 32.023 18.828 ( 35.945 5.536 -23.628) 43.370 19.331 ( 22.346 -4.521 2.594) 22.946 19.389 ( 23.631 -3.058 -3.015) 24.018 22.126 ( -4.169 -2.238 8.539) 9.762 22.279 ( -6.620 0.217 -6.433) 9.233 22.591 ( -8.304 -19.682 25.413) 33.199 22.969 ( -11.448 -16.475 -13.738) 24.315 ======================= Grid point 222 (75/90) ======================= q-point: ( 0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 11.918 23.244 21.026) 33.532 2.842 ( 16.441 15.987 15.909) 27.910 3.015 ( 6.677 22.959 -21.594) 32.218 3.222 ( 10.579 13.950 -19.768) 26.406 4.297 ( 24.721 9.818 12.804) 29.520 4.452 ( 9.945 13.685 -1.989) 17.034 4.490 ( 3.834 -0.151 2.304) 4.476 4.547 ( 0.424 -10.150 -2.249) 10.405 4.749 ( 4.097 14.370 0.859) 14.967 4.795 ( -1.508 8.980 -3.327) 9.695 5.051 ( 13.884 13.456 11.634) 22.565 5.133 ( -2.730 3.185 4.013) 5.805 5.355 ( 13.588 9.941 4.475) 17.421 5.530 ( 9.786 -2.341 -4.669) 11.093 5.798 ( 2.619 10.280 -4.353) 11.467 5.959 ( 9.579 9.206 -6.897) 14.969 6.204 ( 6.545 -1.195 9.239) 11.385 6.578 ( -3.746 -10.797 -19.253) 22.389 7.178 ( -1.464 -3.212 5.556) 6.582 7.244 ( 4.097 -2.539 -1.436) 5.029 7.547 ( -4.985 14.750 0.621) 15.582 7.559 ( -1.310 13.355 -1.610) 13.516 7.787 ( -3.746 0.728 12.164) 12.749 8.060 ( -6.357 -1.518 -12.781) 14.355 8.585 ( -8.693 -9.380 5.929) 14.096 8.678 ( -7.164 -3.418 -4.135) 8.950 8.833 ( 0.083 -1.841 6.573) 6.827 8.907 ( -2.742 -3.417 -1.393) 4.598 9.177 ( 6.349 -5.423 4.579) 9.523 9.195 ( 5.055 -3.097 4.728) 7.582 9.436 ( 7.972 -0.662 -3.050) 8.561 9.471 ( -4.215 0.270 -6.158) 7.467 9.905 ( 11.754 4.369 10.031) 16.058 10.078 ( 13.235 3.723 -5.088) 14.660 10.206 ( 23.037 4.007 4.028) 23.728 10.285 ( 19.628 2.799 -3.513) 20.135 10.589 ( 7.080 20.039 10.267) 23.603 10.725 ( 5.849 31.723 -2.612) 32.363 11.075 ( -2.709 7.920 5.445) 9.986 11.170 ( 1.371 16.829 -2.709) 17.101 11.349 ( -2.422 7.624 7.003) 10.632 11.490 ( 2.576 10.138 -4.632) 11.440 11.572 ( 0.802 6.778 9.591) 11.772 11.792 ( 2.156 4.968 -9.590) 11.013 12.092 ( 10.894 8.234 6.505) 15.126 12.364 ( 7.825 2.880 -19.042) 20.788 13.042 ( 0.965 -6.682 3.794) 7.745 13.175 ( -3.783 -8.916 -9.287) 13.418 13.952 ( -2.046 -0.773 5.669) 6.076 14.045 ( -2.813 -3.026 -2.940) 5.071 14.206 ( -0.531 3.033 9.859) 10.329 14.410 ( -0.062 7.043 -9.229) 11.610 14.926 ( -2.659 -6.259 3.809) 7.794 14.978 ( -1.674 -5.203 -0.546) 5.493 15.236 ( 1.319 -14.680 2.198) 14.902 15.274 ( 2.691 -14.247 -1.365) 14.563 15.638 ( -17.276 4.179 1.673) 17.853 15.667 ( -16.856 1.623 -1.081) 16.969 16.124 ( -7.402 -7.206 3.419) 10.881 16.150 ( -7.390 -6.378 1.270) 9.844 16.539 ( -15.023 2.884 3.812) 15.766 16.725 ( -17.301 -0.102 -13.648) 22.037 17.390 ( -26.746 -7.879 5.400) 28.401 17.496 ( -28.534 -7.346 -4.994) 29.885 19.152 ( 35.575 1.810 15.650) 38.908 19.540 ( 35.090 -0.428 -22.892) 41.899 19.768 ( 22.241 -5.679 3.960) 23.294 19.861 ( 24.106 -4.968 -6.220) 25.386 22.008 ( -8.001 -3.137 5.362) 10.130 22.095 ( -12.240 -0.797 -3.001) 12.627 22.370 ( -14.166 -14.985 18.852) 27.940 22.665 ( -19.327 -13.230 -11.039) 25.892 ======================= Grid point 223 (76/90) ======================= q-point: ( 0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 21.167 16.009 12.005) 29.128 3.160 ( 14.587 7.158 -11.304) 19.794 3.248 ( 19.455 17.758 6.432) 27.115 3.506 ( 17.882 9.941 -14.001) 24.792 4.344 ( -10.908 0.562 4.881) 11.963 4.454 ( -8.505 -0.103 -4.770) 9.752 4.529 ( 1.548 -4.412 8.102) 9.355 4.702 ( 0.261 3.575 -8.366) 9.102 4.807 ( 9.035 5.939 10.258) 14.904 4.989 ( 13.058 13.084 -6.581) 19.622 5.108 ( 2.708 1.684 6.169) 6.945 5.219 ( 1.972 0.244 -4.721) 5.122 5.629 ( 15.246 7.062 7.221) 18.288 5.734 ( 12.056 3.289 -1.793) 12.625 5.997 ( 16.724 12.944 14.911) 25.876 6.192 ( 3.714 -4.417 13.843) 14.998 6.329 ( 7.487 0.773 -15.329) 17.077 6.445 ( -0.081 -1.277 -11.863) 11.932 7.069 ( -7.618 -7.286 14.495) 17.923 7.310 ( -0.334 -11.132 -7.996) 13.710 7.465 ( -3.866 3.032 -3.295) 5.916 7.477 ( -8.913 -4.286 -3.626) 10.534 7.834 ( 9.617 7.515 3.800) 12.783 7.985 ( 2.938 2.599 -8.936) 9.759 8.349 ( -15.003 -10.117 5.494) 18.911 8.435 ( -14.725 -7.467 -4.148) 17.023 8.920 ( 4.306 1.670 2.161) 5.099 8.938 ( 4.745 4.686 3.845) 7.698 9.154 ( -2.770 -0.317 -1.213) 3.041 9.242 ( -7.662 2.237 -6.601) 10.358 9.446 ( 4.083 2.562 4.799) 6.802 9.522 ( -0.173 2.611 -2.828) 3.853 10.138 ( 11.037 5.326 13.103) 17.941 10.349 ( 13.858 7.843 -7.567) 17.630 10.603 ( 9.467 7.002 13.851) 18.180 10.707 ( 23.142 13.277 4.995) 27.143 10.793 ( 16.597 18.277 -2.968) 24.866 10.848 ( 6.210 13.420 -4.484) 15.452 11.057 ( 3.741 15.397 4.606) 16.501 11.175 ( -1.737 14.208 -6.077) 15.550 11.326 ( 1.161 13.836 10.359) 17.323 11.523 ( 2.065 13.342 -7.367) 15.381 11.604 ( 0.759 14.077 9.273) 16.874 11.857 ( 3.425 9.207 -14.168) 17.241 12.379 ( 19.896 12.300 4.706) 23.860 12.551 ( 13.119 8.485 -11.651) 19.490 13.079 ( 2.260 -9.966 1.187) 10.288 13.139 ( 2.436 -12.859 -4.811) 13.944 13.943 ( -1.612 -1.804 4.370) 4.995 13.985 ( -2.336 -2.573 0.470) 3.507 14.216 ( 2.731 0.779 5.957) 6.599 14.383 ( -2.032 4.168 -9.213) 10.314 14.827 ( -9.272 -4.206 4.149) 10.994 14.894 ( -8.886 -2.662 -2.429) 9.589 15.196 ( -15.330 -5.441 2.049) 16.396 15.211 ( -12.930 -5.647 0.504) 14.118 15.348 ( -2.500 -1.723 6.378) 7.064 15.459 ( 1.711 -5.758 -4.856) 7.724 16.002 ( -5.605 -5.228 5.021) 9.163 16.068 ( -1.850 -8.896 1.182) 9.162 16.274 ( -13.117 -1.262 -1.244) 13.236 16.393 ( -15.601 -4.587 -10.226) 19.210 16.896 ( -24.262 -7.960 3.396) 25.759 16.971 ( -24.585 -6.300 -4.082) 25.705 19.806 ( 31.889 -2.277 15.492) 35.526 20.146 ( 27.794 -3.252 -15.286) 31.887 20.182 ( 20.883 -6.463 4.508) 22.320 20.293 ( 20.580 -6.103 -9.223) 23.363 21.815 ( -14.939 -2.564 1.829) 15.268 21.827 ( -12.122 -3.526 -0.098) 12.625 22.062 ( -17.473 -10.798 11.467) 23.524 22.255 ( -22.506 -9.905 -7.533) 25.718 ======================= Grid point 224 (77/90) ======================= q-point: ( 0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 22.163 11.052 6.324) 25.561 3.469 ( 17.937 7.290 -9.056) 21.375 3.663 ( 21.203 7.387 9.398) 24.340 3.871 ( 17.155 3.655 -10.302) 20.342 4.097 ( -11.851 6.333 5.187) 14.404 4.217 ( -14.184 5.236 -6.002) 16.268 4.499 ( -5.842 -3.556 4.753) 8.329 4.558 ( -14.373 1.332 -1.958) 14.567 4.927 ( 4.423 -0.681 11.025) 11.899 5.083 ( 4.458 -1.453 -3.810) 6.042 5.246 ( -0.571 1.580 -1.914) 2.547 5.265 ( 3.970 -5.045 -3.725) 7.422 5.891 ( 3.408 8.306 9.330) 12.948 5.920 ( 11.476 1.265 7.934) 14.009 6.116 ( 6.204 -0.514 0.556) 6.250 6.253 ( 1.285 -6.440 -8.472) 10.719 6.473 ( 11.630 0.941 9.495) 15.043 6.709 ( 14.230 0.322 -7.925) 16.291 6.954 ( -4.298 -6.773 4.432) 9.165 7.062 ( -19.346 -15.577 -7.744) 26.017 7.429 ( 3.178 -4.579 -1.080) 5.678 7.465 ( 6.720 -7.182 -3.965) 10.605 8.003 ( -12.415 -7.884 2.927) 14.996 8.015 ( -13.237 -8.126 1.403) 15.595 8.159 ( 16.210 11.222 2.170) 19.835 8.273 ( 7.231 5.871 -7.222) 11.786 8.845 ( -12.061 6.235 5.035) 14.481 8.948 ( -14.783 6.065 -4.675) 16.648 9.082 ( 7.942 4.443 5.986) 10.892 9.251 ( 7.804 4.967 -9.286) 13.108 9.449 ( -6.784 4.179 2.204) 8.267 9.483 ( -1.328 4.029 -0.904) 4.337 10.327 ( 8.963 4.645 15.703) 18.668 10.573 ( 7.478 8.419 0.021) 11.261 10.632 ( -1.463 7.646 6.224) 9.967 10.850 ( -1.564 13.780 -5.486) 14.914 11.049 ( 9.125 23.847 6.346) 26.310 11.105 ( 4.781 9.260 4.774) 11.463 11.140 ( 8.896 12.626 3.353) 15.805 11.254 ( 8.311 13.613 -6.401) 17.186 11.372 ( 2.759 18.079 7.043) 19.598 11.539 ( -3.102 19.825 3.436) 20.358 11.629 ( 5.100 16.614 -8.879) 19.516 11.871 ( -2.486 10.814 -20.983) 23.737 12.878 ( 30.772 8.752 1.933) 32.051 12.911 ( 22.935 11.357 -0.714) 25.603 13.152 ( 6.252 -9.864 6.704) 13.466 13.286 ( 11.360 -8.491 -4.945) 15.020 13.836 ( -6.324 -1.597 3.477) 7.391 13.939 ( -5.278 -1.936 -4.677) 7.313 14.251 ( -9.316 -4.799 2.272) 10.723 14.345 ( -6.973 -3.396 -6.249) 9.960 14.572 ( -8.105 5.023 2.250) 9.797 14.594 ( -12.088 6.000 -0.602) 13.509 14.907 ( -12.648 -5.401 4.052) 14.337 14.961 ( -10.939 -4.799 -1.024) 11.990 15.428 ( 6.804 -5.935 8.108) 12.134 15.565 ( 7.333 -8.028 -5.741) 12.296 15.841 ( -12.058 -4.062 5.589) 13.897 15.980 ( -14.010 -3.985 -7.603) 16.430 16.092 ( 2.155 -9.838 6.633) 12.059 16.233 ( -0.936 -8.470 -6.654) 10.812 16.488 ( -16.538 -7.418 2.846) 18.348 16.585 ( -15.546 -6.326 -6.580) 18.028 20.362 ( 25.149 -5.306 12.328) 28.506 20.574 ( 19.369 -7.611 2.853) 21.005 20.596 ( 17.534 -5.150 -2.942) 18.510 20.646 ( 15.862 -6.505 -11.472) 20.628 21.497 ( -15.708 -1.782 5.888) 16.870 21.606 ( -11.490 -6.258 -1.343) 13.153 21.712 ( -17.706 -6.855 2.809) 19.193 21.838 ( -19.363 -7.314 -6.359) 21.653 ======================= Grid point 225 (78/90) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( -17.489 7.541 5.324) 19.776 3.695 ( 17.489 7.541 5.324) 19.776 3.817 ( -15.478 6.018 -5.341) 17.444 3.817 ( 15.478 6.018 -5.341) 17.444 4.200 ( -17.711 4.146 3.642) 18.550 4.200 ( 17.711 4.146 3.642) 18.550 4.283 ( -15.282 -0.089 -3.089) 15.592 4.283 ( 15.283 -0.089 -3.089) 15.592 5.071 ( -9.323 -0.960 8.271) 12.500 5.071 ( 9.323 -0.960 8.271) 12.500 5.236 ( -4.890 -6.155 -7.139) 10.619 5.236 ( 4.890 -6.155 -7.139) 10.619 5.977 ( -4.985 0.081 15.013) 15.820 5.977 ( 4.985 0.081 15.013) 15.820 6.259 ( -4.624 1.845 -12.225) 13.200 6.259 ( 4.624 1.845 -12.225) 13.200 6.697 ( -14.604 -8.823 6.129) 18.130 6.697 ( 14.604 -8.823 6.129) 18.130 6.880 ( -5.180 -8.844 -11.196) 15.179 6.880 ( 5.180 -8.844 -11.196) 15.179 7.653 ( -17.898 -4.008 4.313) 18.842 7.653 ( 17.898 -4.008 4.313) 18.842 7.705 ( -15.818 -8.528 -0.908) 17.994 7.705 ( 15.818 -8.528 -0.908) 17.994 8.485 ( -3.648 7.781 5.812) 10.375 8.485 ( 3.648 7.781 5.812) 10.375 8.635 ( -6.323 9.367 -8.003) 13.848 8.635 ( 6.323 9.367 -8.003) 13.848 9.275 ( -10.096 5.044 5.802) 12.690 9.275 ( 10.096 5.044 5.802) 12.690 9.404 ( -6.361 5.172 -6.334) 10.360 9.404 ( 6.361 5.172 -6.334) 10.360 10.490 ( -7.873 4.509 16.276) 18.634 10.490 ( 7.873 4.509 16.276) 18.634 10.759 ( -7.300 10.588 -8.258) 15.283 10.759 ( 7.300 10.588 -8.258) 15.283 11.136 ( -1.466 17.365 10.381) 20.285 11.136 ( 1.466 17.365 10.381) 20.285 11.290 ( -3.713 16.503 -3.735) 17.323 11.290 ( 3.713 16.503 -3.735) 17.323 11.442 ( -5.115 20.652 6.712) 22.309 11.442 ( 5.115 20.652 6.712) 22.309 11.771 ( -7.414 12.120 -20.464) 24.913 11.771 ( 7.414 12.120 -20.464) 24.913 13.214 ( -4.085 -0.170 12.053) 12.728 13.214 ( 4.085 -0.170 12.053) 12.728 13.411 ( -12.813 0.317 -7.470) 14.835 13.411 ( 12.813 0.317 -7.470) 14.835 13.844 ( -5.364 1.457 4.272) 7.010 13.844 ( 5.364 1.457 4.272) 7.010 13.966 ( -7.725 0.684 -7.746) 10.962 13.966 ( 7.725 0.684 -7.746) 10.962 14.672 ( -10.460 -3.260 3.118) 11.391 14.672 ( 10.460 -3.260 3.118) 11.391 14.726 ( -12.694 -3.289 -1.842) 13.242 14.726 ( 12.694 -3.289 -1.842) 13.242 15.598 ( -11.067 -4.505 7.077) 13.887 15.598 ( 11.067 -4.505 7.077) 13.887 15.736 ( -10.440 -6.795 -6.429) 14.017 15.736 ( 10.440 -6.795 -6.429) 14.017 16.194 ( -6.831 -9.640 7.681) 14.092 16.194 ( 6.831 -9.640 7.681) 14.092 16.368 ( -6.201 -6.604 -9.437) 13.081 16.368 ( 6.201 -6.604 -9.437) 13.081 20.714 ( -8.007 -7.192 6.176) 12.409 20.714 ( 8.007 -7.192 6.176) 12.409 20.826 ( -1.689 -7.456 -4.788) 9.020 20.826 ( 1.689 -7.456 -4.788) 9.020 21.362 ( -7.150 -3.262 10.330) 12.980 21.362 ( 7.150 -3.262 10.330) 12.980 21.576 ( -5.343 -5.834 -10.725) 13.327 21.576 ( 5.343 -5.834 -10.725) 13.327 ======================= Grid point 231 (79/90) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 0.000 19.302 24.903) 31.508 3.089 ( 0.000 28.445 28.551) 40.302 3.341 ( 0.000 18.455 -14.099) 23.224 3.692 ( 0.000 24.209 -31.709) 39.893 4.044 ( 0.000 25.072 7.719) 26.234 4.208 ( 0.000 -19.360 3.481) 19.671 4.275 ( 0.000 11.148 -13.603) 17.587 4.281 ( 0.000 -14.754 -4.027) 15.293 4.954 ( 0.000 5.899 16.824) 17.828 5.046 ( 0.000 3.577 15.087) 15.505 5.125 ( 0.000 15.658 4.640) 16.331 5.301 ( 0.000 2.297 -8.730) 9.027 5.383 ( 0.000 20.835 1.119) 20.865 5.406 ( 0.000 13.307 -6.399) 14.766 5.964 ( 0.000 15.240 -1.284) 15.294 6.018 ( 0.000 -0.209 9.272) 9.274 6.274 ( 0.000 19.605 -26.699) 33.124 6.278 ( 0.000 -9.063 -15.871) 18.277 7.241 ( 0.000 12.083 8.669) 14.871 7.376 ( 0.000 17.271 -4.765) 17.916 7.927 ( 0.000 -6.990 8.979) 11.379 8.005 ( 0.000 8.417 8.582) 12.021 8.073 ( 0.000 -14.172 -5.425) 15.175 8.089 ( 0.000 12.171 -0.852) 12.201 8.540 ( 0.000 -3.261 15.999) 16.328 8.689 ( 0.000 -11.079 4.019) 11.785 8.740 ( 0.000 6.862 -4.289) 8.092 8.752 ( 0.000 -11.666 -1.330) 11.741 9.170 ( 0.000 -4.689 12.564) 13.411 9.234 ( 0.000 5.155 2.751) 5.843 9.276 ( 0.000 -0.557 6.795) 6.818 9.328 ( 0.000 -3.417 3.485) 4.881 9.362 ( 0.000 -12.471 -7.534) 14.570 9.487 ( 0.000 -6.934 -12.677) 14.449 9.615 ( 0.000 -10.340 0.039) 10.340 9.713 ( 0.000 -5.111 -7.970) 9.468 10.956 ( 0.000 16.077 29.058) 33.209 11.219 ( 0.000 4.275 8.711) 9.704 11.291 ( 0.000 -0.572 3.772) 3.816 11.366 ( 0.000 15.917 -8.707) 18.143 11.637 ( 0.000 26.419 11.044) 28.635 11.777 ( 0.000 35.648 -0.391) 35.650 11.779 ( 0.000 2.326 -6.442) 6.849 11.821 ( 0.000 7.573 -10.101) 12.625 11.906 ( 0.000 9.142 -0.855) 9.182 12.167 ( 0.000 1.943 -27.638) 27.706 13.110 ( 0.000 7.713 5.812) 9.658 13.262 ( 0.000 2.773 -9.068) 9.482 13.861 ( 0.000 -13.052 -0.639) 13.067 13.892 ( 0.000 -13.164 -4.065) 13.777 14.415 ( 0.000 11.174 13.670) 17.656 14.537 ( 0.000 -28.861 2.754) 28.992 14.595 ( 0.000 -28.511 -2.798) 28.648 14.604 ( 0.000 11.059 -5.872) 12.521 14.942 ( 0.000 -9.130 7.770) 11.989 15.066 ( 0.000 -6.339 -4.566) 7.812 16.017 ( 0.000 -2.319 3.584) 4.269 16.053 ( 0.000 2.524 -0.081) 2.526 16.120 ( 0.000 -9.632 14.236) 17.188 16.325 ( 0.000 -7.047 -5.221) 8.770 17.319 ( 0.000 8.615 1.630) 8.768 17.443 ( 0.000 8.756 -10.408) 13.602 17.900 ( 0.000 -6.471 5.067) 8.219 18.078 ( 0.000 -9.202 -10.622) 14.053 18.373 ( 0.000 6.665 8.708) 10.966 18.618 ( 0.000 8.454 -18.581) 20.414 18.953 ( 0.000 -5.822 3.795) 6.950 19.046 ( 0.000 -3.456 -5.240) 6.277 22.126 ( 0.000 -1.663 13.422) 13.525 22.322 ( 0.000 -11.835 27.046) 29.522 22.367 ( 0.000 1.615 -10.486) 10.610 22.750 ( 0.000 -13.163 -16.649) 21.224 ======================= Grid point 232 (80/90) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 0.969 20.507 25.053) 32.390 3.121 ( 3.728 27.631 19.131) 33.813 3.388 ( 4.736 17.085 -13.451) 22.254 3.601 ( -6.594 25.622 -27.873) 38.430 4.194 ( 8.470 4.418 9.197) 13.261 4.223 ( 6.215 -5.304 2.410) 8.519 4.269 ( -0.606 -13.910 -3.369) 14.325 4.432 ( 12.952 6.495 -11.754) 18.657 4.972 ( -2.360 8.016 13.929) 16.244 5.076 ( 6.344 3.046 12.946) 14.735 5.185 ( 5.633 16.961 2.831) 18.095 5.275 ( -0.873 3.082 -4.226) 5.303 5.432 ( 4.077 14.510 -0.349) 15.076 5.445 ( 2.419 10.570 -5.112) 11.988 5.930 ( -1.608 13.470 0.774) 13.588 6.051 ( 3.663 2.747 7.603) 8.875 6.279 ( 3.110 19.693 -21.060) 29.000 6.342 ( 3.359 -8.269 -16.017) 18.335 7.218 ( -2.191 9.085 8.438) 12.591 7.368 ( -1.487 14.562 -6.310) 15.940 7.773 ( -14.176 -8.992 13.118) 21.305 7.942 ( -8.715 -5.088 -3.946) 10.836 7.972 ( -3.376 6.412 8.732) 11.347 8.122 ( -0.503 4.101 -5.823) 7.140 8.505 ( -5.724 -10.120 14.628) 18.685 8.702 ( -0.168 -4.867 -4.810) 6.845 8.794 ( 0.900 -9.632 4.809) 10.803 8.903 ( 9.686 3.481 1.936) 10.473 8.945 ( -4.550 5.022 0.518) 6.797 8.987 ( -8.553 -12.099 -7.813) 16.750 9.244 ( 6.038 -0.665 9.315) 11.120 9.438 ( -0.000 -5.750 -9.136) 10.794 9.674 ( 16.795 -2.124 4.926) 17.631 9.747 ( 23.617 -0.243 -1.000) 23.639 9.829 ( 18.630 -4.471 -0.099) 19.159 9.883 ( 15.755 -2.720 -4.525) 16.616 10.920 ( -2.704 13.666 25.348) 28.924 11.175 ( -4.165 5.784 3.160) 7.796 11.334 ( 3.850 -0.171 6.136) 7.246 11.396 ( 2.910 11.280 -2.401) 11.895 11.654 ( 1.517 21.171 10.252) 23.572 11.785 ( 3.066 26.983 -4.397) 27.510 11.799 ( -0.136 15.748 -7.917) 17.627 11.833 ( 2.780 16.791 -4.174) 17.524 12.008 ( 9.438 6.010 -3.178) 11.632 12.226 ( 5.974 1.098 -24.985) 25.713 13.089 ( -2.121 7.583 4.653) 9.147 13.214 ( -4.674 3.065 -7.678) 9.497 13.854 ( -0.656 -11.794 0.735) 11.835 13.904 ( 1.020 -12.060 -4.433) 12.889 14.364 ( -3.557 3.785 12.893) 13.900 14.549 ( -1.512 -7.313 -6.155) 9.677 14.616 ( 5.619 -20.281 2.833) 21.235 14.676 ( 4.227 -11.297 -2.764) 12.375 14.930 ( -1.014 -8.814 7.312) 11.497 15.046 ( -1.771 -6.075 -4.223) 7.608 15.920 ( -9.631 -2.149 4.452) 10.826 15.968 ( -8.617 3.052 -0.154) 9.143 16.057 ( -6.024 -9.206 12.166) 16.403 16.237 ( -8.271 -5.222 -4.793) 10.892 17.042 ( -21.887 8.695 1.486) 23.598 17.173 ( -20.561 7.798 -11.112) 24.638 17.683 ( -22.199 -10.469 5.055) 25.059 17.821 ( -23.327 -10.477 -7.667) 26.697 18.648 ( 26.222 8.647 10.720) 29.619 18.946 ( 28.735 5.731 -20.399) 35.703 19.213 ( 20.819 -6.791 3.786) 22.224 19.309 ( 21.707 -4.507 -5.638) 22.876 22.079 ( -4.788 -1.887 12.407) 13.432 22.251 ( -6.986 -8.044 17.988) 20.906 22.312 ( -5.879 -1.712 -2.813) 6.738 22.659 ( -9.238 -12.411 -15.405) 21.834 ======================= Grid point 233 (81/90) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 7.394 21.625 16.299) 28.071 3.222 ( 6.127 20.629 7.182) 22.686 3.503 ( 4.579 15.618 -14.849) 22.031 3.545 ( 4.886 23.863 -12.335) 27.303 4.225 ( 0.373 -14.657 1.995) 14.797 4.278 ( 2.566 -13.777 -3.312) 14.400 4.457 ( 8.309 3.941 9.288) 13.071 4.663 ( 8.476 -3.139 -9.561) 13.157 4.917 ( -1.397 10.942 12.222) 16.463 5.107 ( -3.570 4.560 -3.387) 6.709 5.326 ( 4.336 3.209 4.998) 7.353 5.373 ( 8.251 6.832 6.518) 12.540 5.419 ( -1.143 15.086 -2.664) 15.362 5.542 ( 9.098 3.427 -6.709) 11.812 5.991 ( 7.048 13.213 11.429) 18.838 6.163 ( 7.977 7.523 10.978) 15.516 6.364 ( 2.059 5.702 -17.542) 18.560 6.402 ( 6.667 4.963 -14.506) 16.718 7.141 ( -8.919 0.370 6.122) 10.824 7.268 ( -8.675 5.251 -5.741) 11.653 7.471 ( -13.121 -12.382 16.095) 24.177 7.734 ( -15.150 -4.751 -7.284) 17.469 7.951 ( 2.377 7.347 3.992) 8.693 8.047 ( -4.011 0.341 -5.170) 6.552 8.361 ( -7.352 -6.219 9.839) 13.768 8.551 ( -13.021 -6.131 -8.139) 16.534 8.822 ( 8.394 -2.129 -0.041) 8.660 8.860 ( -0.207 -2.772 -2.286) 3.599 9.108 ( 8.079 0.194 4.293) 9.151 9.168 ( 13.099 1.695 0.548) 13.220 9.411 ( 5.836 -2.125 -0.625) 6.243 9.460 ( 3.826 -2.603 -3.395) 5.739 9.993 ( 16.740 4.639 9.030) 19.578 10.143 ( 17.832 3.485 -5.637) 19.023 10.278 ( 26.457 2.505 2.199) 26.666 10.293 ( 25.127 -1.080 0.525) 25.156 10.885 ( -0.436 9.009 20.543) 22.436 11.101 ( -2.991 6.510 3.492) 7.970 11.349 ( -0.826 1.936 3.107) 3.753 11.512 ( 5.921 10.351 -6.862) 13.759 11.697 ( 4.428 12.222 9.855) 16.313 11.833 ( 4.845 21.234 -1.902) 21.862 11.896 ( 8.054 24.328 -5.287) 26.166 11.913 ( 5.600 30.483 -4.963) 31.388 12.244 ( 14.713 4.978 -4.397) 16.143 12.398 ( 12.197 0.210 -18.275) 21.972 13.035 ( -3.069 7.273 1.891) 8.117 13.100 ( -6.481 4.562 -4.571) 9.150 13.842 ( -0.284 -9.244 3.118) 9.760 13.921 ( 0.624 -9.119 -4.553) 10.212 14.293 ( -4.132 1.161 13.155) 13.838 14.517 ( -2.573 -4.262 -9.458) 10.688 14.704 ( 2.175 -15.218 2.505) 15.576 14.746 ( 2.615 -13.596 -1.666) 13.945 14.922 ( 0.847 -10.385 5.991) 12.019 15.017 ( -0.803 -7.711 -3.493) 8.503 15.679 ( -14.451 -0.443 5.135) 15.343 15.736 ( -14.785 4.921 -0.503) 15.591 15.925 ( -6.722 -9.700 9.172) 14.947 16.053 ( -9.622 -4.115 -2.984) 10.882 16.627 ( -20.047 5.479 1.292) 20.822 16.760 ( -22.106 3.833 -11.216) 25.083 17.194 ( -26.442 -10.492 4.928) 28.871 17.314 ( -27.617 -9.818 -6.469) 30.016 19.212 ( 30.161 4.004 13.104) 33.128 19.535 ( 30.045 0.108 -18.545) 35.307 19.632 ( 21.784 -6.959 4.218) 23.254 19.751 ( 22.827 -5.286 -6.996) 24.453 21.944 ( -9.121 -2.497 9.647) 13.509 22.065 ( -12.169 -3.788 7.238) 14.657 22.141 ( -11.636 -4.884 4.446) 13.380 22.409 ( -16.297 -10.606 -12.101) 22.903 ======================= Grid point 234 (82/90) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 13.872 17.928 7.011) 23.727 3.356 ( 8.622 12.365 -1.361) 15.135 3.638 ( 11.124 17.865 -2.142) 21.154 3.733 ( 11.915 12.241 -8.493) 19.077 4.227 ( -0.432 -10.096 4.801) 11.188 4.339 ( 1.743 -9.949 -5.816) 11.656 4.479 ( -3.544 -1.725 9.351) 10.147 4.703 ( -3.789 -4.638 -12.709) 14.049 4.910 ( -0.810 5.089 11.728) 12.810 5.085 ( 0.957 -1.919 -3.511) 4.114 5.177 ( -11.015 -1.367 9.317) 14.492 5.373 ( -1.996 6.280 -8.250) 10.559 5.671 ( 13.972 6.818 7.173) 17.122 5.822 ( 17.065 5.836 -6.649) 19.222 6.028 ( -1.030 -1.324 12.643) 12.754 6.330 ( -2.404 5.139 -14.674) 15.733 6.413 ( 10.846 13.519 14.088) 22.336 6.599 ( 9.799 7.827 -3.343) 12.979 6.863 ( -9.041 -10.701 7.061) 15.688 7.057 ( -16.203 -12.039 -11.539) 23.251 7.338 ( -3.528 -4.889 2.753) 6.627 7.420 ( -12.992 -3.533 -4.083) 14.069 7.990 ( -4.783 -7.797 3.023) 9.634 7.997 ( -3.588 -4.355 1.943) 5.968 8.266 ( 1.693 11.108 1.979) 11.409 8.382 ( -0.900 6.655 -9.200) 11.390 8.934 ( 7.451 -1.301 2.809) 8.069 9.017 ( 9.749 0.243 -3.985) 10.535 9.173 ( -1.299 3.196 5.456) 6.455 9.314 ( -0.130 4.009 -6.290) 7.460 9.461 ( 4.084 -1.389 5.273) 6.813 9.540 ( 1.007 -1.030 -3.208) 3.517 10.268 ( 11.040 7.345 11.655) 17.654 10.481 ( 16.441 5.897 -8.851) 19.581 10.707 ( 11.126 3.642 13.870) 18.150 10.757 ( 20.110 -3.097 5.365) 21.042 10.959 ( 12.472 2.801 6.522) 14.350 11.071 ( 0.302 6.807 9.036) 11.317 11.357 ( 2.332 6.870 -6.410) 9.681 11.541 ( -0.918 12.111 -14.009) 18.541 11.859 ( 9.896 18.697 8.322) 22.733 11.983 ( 9.712 30.497 3.591) 32.207 12.038 ( 6.791 33.895 -7.531) 35.379 12.098 ( 12.484 18.275 -7.879) 23.492 12.571 ( 19.371 2.737 0.542) 19.571 12.706 ( 19.769 4.301 -10.461) 22.776 12.987 ( -1.639 3.278 0.239) 3.673 13.021 ( 1.544 8.382 -3.614) 9.258 13.854 ( 1.441 -7.780 3.078) 8.490 13.915 ( -2.188 -4.668 -1.452) 5.356 14.201 ( -5.055 -3.235 9.906) 11.582 14.419 ( -7.876 -4.639 -10.911) 14.234 14.691 ( -2.873 -8.923 4.065) 10.217 14.758 ( -1.721 -9.802 -2.309) 10.216 14.942 ( -1.625 -13.533 2.728) 13.900 14.987 ( -4.975 -11.378 -1.705) 12.534 15.409 ( -11.701 3.143 4.429) 12.900 15.461 ( -10.113 5.714 -0.749) 11.639 15.823 ( -3.741 -11.156 8.639) 14.597 15.907 ( -4.811 -6.103 1.037) 7.840 16.271 ( -17.689 1.010 -3.110) 17.989 16.334 ( -20.858 -0.095 -8.449) 22.505 16.701 ( -24.184 -10.187 3.916) 26.533 16.807 ( -23.898 -9.168 -6.303) 26.361 19.771 ( 27.561 -0.649 13.527) 30.708 20.030 ( 20.645 -7.338 6.011) 22.720 20.076 ( 24.675 -3.309 -15.301) 29.222 20.164 ( 19.725 -5.787 -7.702) 21.952 21.736 ( -12.296 -3.188 6.129) 14.104 21.790 ( -16.014 -1.277 0.670) 16.079 21.880 ( -14.918 -6.121 6.606) 17.426 22.055 ( -19.686 -8.549 -8.056) 22.924 ======================= Grid point 235 (83/90) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.536 ( 16.166 10.587 3.382) 19.618 3.577 ( 14.135 5.798 0.908) 15.305 3.879 ( 11.267 9.372 1.805) 14.766 3.963 ( 8.794 5.256 -4.824) 11.324 4.167 ( -4.449 -0.622 4.816) 6.586 4.273 ( -6.253 0.432 -5.350) 8.241 4.441 ( -1.312 -0.696 7.269) 7.419 4.573 ( -10.251 -0.343 -5.598) 11.685 4.887 ( 0.407 -2.587 8.202) 8.610 4.998 ( -1.608 -5.625 -0.893) 5.918 5.123 ( -1.200 -5.871 4.279) 7.363 5.283 ( -9.011 -2.383 -8.233) 12.436 5.836 ( 4.301 -1.858 6.636) 8.124 5.979 ( 3.605 -8.399 -5.322) 10.576 6.106 ( -2.858 6.404 11.980) 13.882 6.348 ( 0.681 5.225 -12.300) 13.381 6.418 ( 10.054 0.533 7.461) 12.531 6.689 ( -11.875 -10.911 -15.426) 22.317 6.835 ( 5.669 4.661 6.853) 10.041 6.933 ( 2.763 3.287 -2.139) 4.797 7.282 ( 1.384 -7.930 -0.397) 8.059 7.303 ( 1.874 -7.037 -2.031) 7.560 7.774 ( -14.632 -12.855 3.485) 19.786 7.799 ( -14.564 -11.321 0.872) 18.467 8.467 ( 14.700 16.127 1.185) 21.853 8.532 ( 14.011 16.225 -3.416) 21.708 9.020 ( -8.612 8.550 5.597) 13.364 9.089 ( -3.168 5.864 2.164) 7.008 9.147 ( 5.776 1.508 1.921) 6.271 9.322 ( 5.506 1.647 -10.901) 12.323 9.490 ( -5.181 -0.246 0.044) 5.187 9.513 ( -0.476 -0.926 -1.549) 1.866 10.446 ( 8.207 6.999 16.837) 19.995 10.707 ( -0.440 5.634 14.448) 15.514 10.749 ( 5.851 4.836 -3.589) 8.397 10.949 ( 0.896 -3.130 5.214) 6.147 11.140 ( 6.670 2.812 10.808) 13.008 11.287 ( 15.146 1.351 -3.558) 15.617 11.391 ( -1.032 6.268 -9.716) 11.609 11.544 ( 1.110 7.401 -14.846) 16.626 12.023 ( 6.996 34.795 4.590) 35.787 12.131 ( 3.169 34.296 2.662) 34.545 12.170 ( 7.020 34.909 -6.123) 36.130 12.278 ( 3.818 25.776 -11.112) 28.327 12.957 ( 19.006 -1.511 9.364) 21.241 13.087 ( 17.471 6.439 6.709) 19.792 13.145 ( 19.332 3.955 -7.713) 21.187 13.230 ( 21.397 7.855 -6.960) 23.832 13.797 ( -9.184 -1.952 3.253) 9.937 13.856 ( -3.123 -6.238 -2.188) 7.311 14.103 ( -7.281 -9.520 3.706) 12.545 14.235 ( -10.910 -8.182 -8.874) 16.270 14.606 ( -4.589 -3.689 2.887) 6.558 14.668 ( -9.116 -0.519 -2.793) 9.548 14.732 ( -14.141 -9.985 3.919) 17.749 14.811 ( -10.856 -10.007 -3.364) 15.143 15.342 ( 4.618 -0.229 6.279) 7.798 15.439 ( 5.541 -2.090 -3.196) 6.729 15.736 ( -7.978 -6.281 7.947) 12.894 15.873 ( -0.889 -8.690 2.088) 8.981 15.915 ( -15.221 -2.504 -0.062) 15.425 16.053 ( -7.498 -7.438 -5.586) 11.948 16.306 ( -15.209 -9.750 1.346) 18.116 16.418 ( -16.325 -9.628 -8.529) 20.783 20.256 ( 22.154 -4.164 11.301) 25.216 20.405 ( 17.996 -7.932 5.206) 20.344 20.479 ( 14.941 -5.457 -4.137) 16.436 20.499 ( 15.084 -6.770 -10.280) 19.469 21.470 ( -14.674 -0.687 3.547) 15.112 21.499 ( -12.638 -3.316 2.748) 13.352 21.588 ( -14.240 -4.937 0.278) 15.074 21.687 ( -17.249 -6.667 -6.033) 19.452 ======================= Grid point 236 (84/90) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.813 ( -5.329 3.107 5.719) 8.412 3.813 ( 5.329 3.107 5.719) 8.412 3.891 ( -5.609 1.224 -1.673) 5.980 3.891 ( 5.609 1.224 -1.673) 5.980 4.266 ( -10.267 3.342 5.274) 12.017 4.266 ( 10.267 3.342 5.274) 12.017 4.369 ( -8.004 7.964 -4.338) 12.095 4.369 ( 8.004 7.964 -4.338) 12.095 5.017 ( -11.201 -4.481 2.605) 12.342 5.017 ( 11.201 -4.481 2.605) 12.342 5.072 ( -7.141 -9.187 -1.450) 11.726 5.072 ( 7.141 -9.187 -1.450) 11.726 5.943 ( -8.074 -3.502 8.137) 11.986 5.943 ( 8.074 -3.502 8.137) 11.986 6.157 ( -14.141 -10.001 -11.655) 20.876 6.157 ( 14.141 -10.001 -11.655) 20.876 6.702 ( -5.507 8.246 3.262) 10.439 6.702 ( 5.507 8.246 3.262) 10.439 6.801 ( -4.906 2.437 -6.537) 8.529 6.801 ( 4.906 2.437 -6.537) 8.529 7.477 ( -13.041 -12.077 2.260) 17.918 7.477 ( 13.041 -12.077 2.260) 17.918 7.504 ( -13.286 -9.823 0.068) 16.523 7.504 ( 13.286 -9.823 0.068) 16.523 8.733 ( -8.453 13.952 7.738) 18.055 8.733 ( 8.453 13.952 7.738) 18.055 8.884 ( -9.526 12.838 -5.030) 16.759 8.884 ( 9.526 12.838 -5.030) 16.759 9.333 ( -9.361 0.387 3.350) 9.950 9.333 ( 9.361 0.387 3.350) 9.950 9.455 ( -5.288 -0.367 -7.442) 9.137 9.455 ( 5.288 -0.367 -7.442) 9.137 10.596 ( -7.351 5.934 19.552) 21.714 10.596 ( 7.351 5.934 19.552) 21.714 10.889 ( -5.821 2.584 -1.619) 6.571 10.889 ( 5.821 2.584 -1.619) 6.571 11.285 ( -7.252 2.523 1.936) 7.919 11.285 ( 7.252 2.523 1.936) 7.919 11.507 ( -6.084 2.095 -12.426) 13.993 11.507 ( 6.084 2.095 -12.426) 13.993 12.125 ( -3.295 38.196 4.564) 38.609 12.125 ( 3.295 38.196 4.564) 38.609 12.267 ( -3.375 32.650 -9.882) 34.279 12.267 ( 3.375 32.650 -9.882) 34.279 13.281 ( -10.680 5.794 11.660) 16.840 13.281 ( 10.680 5.794 11.660) 16.840 13.446 ( -10.744 2.654 -3.852) 11.718 13.446 ( 10.744 2.654 -3.852) 11.718 13.823 ( -5.916 -3.960 0.107) 7.120 13.823 ( 5.916 -3.960 0.107) 7.120 13.922 ( -13.897 -5.456 -8.446) 17.153 13.922 ( 13.897 -5.456 -8.446) 17.153 14.556 ( -2.654 -7.731 4.229) 9.204 14.556 ( 2.654 -7.731 4.229) 9.204 14.644 ( -5.043 -5.669 -4.113) 8.630 14.644 ( 5.043 -5.668 -4.113) 8.630 15.503 ( -9.798 -3.818 6.362) 12.291 15.503 ( 9.798 -3.818 6.362) 12.291 15.626 ( -10.081 -1.328 -5.843) 11.727 15.626 ( 10.081 -1.328 -5.843) 11.727 15.963 ( -5.482 -11.913 11.488) 17.435 15.963 ( 5.482 -11.913 11.488) 17.435 16.197 ( -5.086 -9.704 -11.571) 15.935 16.197 ( 5.086 -9.704 -11.571) 15.935 20.567 ( -7.320 -6.218 5.538) 11.087 20.567 ( 7.320 -6.218 5.538) 11.087 20.647 ( -3.347 -8.498 -2.106) 9.373 20.647 ( 3.347 -8.498 -2.106) 9.373 21.319 ( -2.280 -0.853 5.769) 6.262 21.319 ( 2.280 -0.853 5.769) 6.262 21.459 ( -3.799 -5.029 -7.746) 9.986 21.459 ( 3.799 -5.029 -7.746) 9.986 ======================= Grid point 242 (85/90) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 0.000 19.016 17.439) 25.802 3.618 ( 0.000 15.284 20.842) 25.845 3.648 ( 0.000 11.545 -10.709) 15.747 3.791 ( 0.000 -15.025 7.464) 16.777 4.020 ( 0.000 -6.979 -7.993) 10.611 4.167 ( 0.000 17.068 -21.574) 27.509 4.214 ( 0.000 -14.590 7.027) 16.194 4.347 ( 0.000 2.218 -5.301) 5.746 5.133 ( 0.000 11.551 8.276) 14.209 5.156 ( 0.000 7.229 10.514) 12.759 5.302 ( 0.000 -3.124 -2.869) 4.241 5.364 ( 0.000 -10.892 -7.440) 13.191 5.524 ( 0.000 21.729 -2.431) 21.865 5.659 ( 0.000 11.007 -9.011) 14.225 5.893 ( 0.000 -10.445 -2.442) 10.726 5.971 ( 0.000 -18.967 -9.770) 21.336 6.649 ( 0.000 40.875 10.779) 42.272 6.920 ( 0.000 34.711 -15.625) 38.066 7.434 ( 0.000 -27.976 8.554) 29.255 7.569 ( 0.000 -11.917 -3.367) 12.383 7.629 ( 0.000 3.293 13.924) 14.309 7.851 ( 0.000 14.347 -5.605) 15.403 7.990 ( 0.000 -12.241 14.342) 18.856 8.100 ( 0.000 -7.359 3.765) 8.266 8.501 ( 0.000 1.402 7.137) 7.273 8.556 ( 0.000 -4.294 -0.020) 4.294 8.623 ( 0.000 1.510 -6.256) 6.436 8.757 ( 0.000 -8.067 -15.806) 17.745 9.124 ( 0.000 3.766 13.088) 13.619 9.237 ( 0.000 -4.915 8.811) 10.089 9.257 ( 0.000 3.245 4.841) 5.829 9.294 ( 0.000 1.527 7.413) 7.569 9.364 ( 0.000 -3.795 -3.327) 5.047 9.408 ( 0.000 -8.868 1.750) 9.039 9.429 ( 0.000 9.307 -10.440) 13.986 9.601 ( 0.000 -6.433 -12.251) 13.837 11.154 ( 0.000 5.500 21.968) 22.646 11.240 ( 0.000 -2.950 12.907) 13.240 11.319 ( 0.000 4.096 6.129) 7.371 11.399 ( 0.000 -3.005 3.130) 4.339 11.783 ( 0.000 -0.063 -1.617) 1.618 11.789 ( 0.000 -0.574 0.623) 0.847 12.013 ( 0.000 8.430 -21.325) 22.931 12.141 ( 0.000 -3.085 -28.437) 28.604 12.692 ( 0.000 46.651 2.561) 46.722 12.760 ( 0.000 47.703 -3.755) 47.851 13.356 ( 0.000 15.131 2.853) 15.398 13.427 ( 0.000 13.600 -4.463) 14.314 13.510 ( 0.000 -25.668 -0.320) 25.670 13.538 ( 0.000 -21.466 -2.635) 21.627 13.839 ( 0.000 -34.044 2.019) 34.104 13.891 ( 0.000 -33.113 -3.126) 33.261 14.622 ( 0.000 8.480 12.750) 15.312 14.781 ( 0.000 -7.098 10.450) 12.633 14.811 ( 0.000 8.442 -7.102) 11.032 14.954 ( 0.000 -5.393 -7.746) 9.438 15.961 ( 0.000 -2.049 11.373) 11.556 15.973 ( 0.000 -3.844 16.197) 16.647 16.111 ( 0.000 3.235 -3.660) 4.885 16.197 ( 0.000 -5.070 -5.978) 7.839 17.511 ( 0.000 9.667 2.264) 9.929 17.641 ( 0.000 10.057 -9.934) 14.136 17.718 ( 0.000 -9.793 3.089) 10.269 17.861 ( 0.000 -10.733 -9.894) 14.598 18.573 ( 0.000 10.891 7.938) 13.477 18.792 ( 0.000 -9.403 5.625) 10.958 18.794 ( 0.000 7.985 -15.419) 17.364 18.944 ( 0.000 -6.162 -9.952) 11.705 22.108 ( 0.000 0.310 17.925) 17.928 22.155 ( 0.000 -4.604 22.686) 23.149 22.420 ( 0.000 3.693 -13.196) 13.703 22.534 ( 0.000 -7.576 -15.519) 17.270 ======================= Grid point 243 (86/90) ======================= q-point: ( 0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 2.196 19.334 15.624) 24.955 3.614 ( -0.191 14.825 2.922) 15.112 3.690 ( 3.680 7.550 2.677) 8.815 3.813 ( 2.364 -13.057 4.989) 14.176 4.029 ( 1.167 -3.944 -6.497) 7.689 4.128 ( -2.927 19.620 -16.754) 25.965 4.296 ( 6.238 -15.757 4.816) 17.618 4.389 ( 3.509 -1.841 -3.665) 5.397 5.106 ( -2.147 4.415 12.624) 13.545 5.205 ( 3.613 9.872 3.302) 11.019 5.242 ( -5.137 -5.515 -0.031) 7.538 5.381 ( 0.337 -7.788 -9.589) 12.357 5.607 ( 8.172 20.828 -2.456) 22.508 5.684 ( 3.235 12.561 -7.220) 14.845 5.947 ( 5.330 -10.357 -0.642) 11.665 6.021 ( 5.250 -16.953 -7.756) 19.368 6.616 ( -3.504 37.278 12.218) 39.385 6.908 ( -1.485 32.204 -15.654) 35.838 7.331 ( -11.210 -27.358 10.492) 31.372 7.503 ( -6.842 -0.572 0.496) 6.883 7.538 ( -8.215 -4.549 9.814) 13.583 7.788 ( -4.306 11.781 -5.186) 13.573 7.936 ( -6.839 -15.744 9.445) 19.592 8.037 ( -6.019 -5.747 1.179) 8.405 8.465 ( -1.668 4.744 5.594) 7.522 8.586 ( 3.270 -6.076 2.820) 7.454 8.655 ( -2.431 -1.755 -8.604) 9.111 8.739 ( -1.747 -9.307 -9.952) 13.737 9.057 ( 4.506 8.479 4.565) 10.632 9.100 ( -0.399 6.813 1.097) 6.912 9.214 ( 3.754 -2.582 2.790) 5.343 9.285 ( 0.394 -7.997 -3.715) 8.827 9.672 ( 22.539 2.007 7.548) 23.854 9.739 ( 24.043 -3.957 4.047) 24.700 9.778 ( 24.212 2.730 -2.772) 24.523 9.836 ( 19.985 -2.362 -6.303) 21.088 11.114 ( -3.485 6.456 20.803) 22.059 11.215 ( -2.406 -2.574 14.812) 15.226 11.333 ( 1.444 2.843 3.324) 4.606 11.413 ( 2.143 -3.263 2.876) 4.849 11.806 ( 3.763 2.828 0.307) 4.717 11.854 ( 4.511 -1.068 -4.945) 6.778 12.031 ( 2.816 6.566 -18.095) 19.454 12.161 ( 1.991 -4.174 -25.773) 26.185 12.732 ( 3.992 45.307 2.373) 45.544 12.796 ( 3.744 46.431 -3.681) 46.727 13.334 ( -1.966 12.627 2.254) 12.977 13.383 ( -2.626 8.442 -2.856) 9.291 13.554 ( 1.867 -15.176 -0.702) 15.307 13.569 ( 3.840 -19.539 -2.717) 20.097 13.872 ( 3.100 -33.349 1.784) 33.540 13.919 ( 2.657 -33.227 -2.790) 33.450 14.623 ( 0.069 7.738 11.717) 14.042 14.775 ( -0.615 -6.771 9.687) 11.835 14.802 ( -0.960 7.578 -6.940) 10.321 14.938 ( -1.629 -5.322 -7.281) 9.164 15.875 ( -8.278 -1.062 12.169) 14.756 15.908 ( -6.568 -4.380 15.456) 17.355 16.041 ( -7.127 3.778 -4.280) 9.131 16.131 ( -6.609 -4.780 -6.330) 10.324 17.237 ( -22.984 9.952 2.011) 25.126 17.365 ( -22.680 10.209 -9.732) 26.708 17.457 ( -22.980 -10.822 3.451) 25.634 17.591 ( -23.091 -11.129 -8.786) 27.097 18.844 ( 22.862 9.762 8.356) 26.226 19.038 ( 21.045 -6.472 3.305) 22.265 19.080 ( 23.670 3.630 -12.739) 27.124 19.201 ( 21.620 -5.757 -9.931) 24.478 22.059 ( -5.024 0.300 16.684) 17.427 22.105 ( -5.128 -4.391 20.624) 21.701 22.347 ( -7.471 3.344 -12.073) 14.586 22.455 ( -8.147 -7.207 -14.317) 17.981 ======================= Grid point 244 (87/90) ======================= q-point: ( 0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 6.627 19.232 9.578) 22.484 3.616 ( 0.643 14.857 -2.703) 15.115 3.777 ( 5.244 2.248 3.025) 6.458 3.875 ( 3.745 -13.848 0.191) 14.347 4.066 ( -0.389 14.163 -7.423) 15.995 4.078 ( 1.708 9.981 -6.138) 11.841 4.390 ( 2.038 -14.431 2.959) 14.872 4.447 ( 2.042 -13.248 -2.713) 13.677 5.067 ( -1.525 2.720 12.561) 12.942 5.128 ( -6.006 -3.048 3.496) 7.589 5.232 ( -1.871 3.481 -2.132) 4.491 5.365 ( -1.909 -7.434 -11.111) 13.505 5.796 ( 9.777 17.416 0.108) 19.973 5.829 ( 12.796 17.610 -2.835) 21.952 6.065 ( 4.456 -6.375 5.548) 9.554 6.164 ( 9.160 -13.283 -4.701) 16.806 6.529 ( -3.508 22.389 13.047) 26.150 6.813 ( -10.319 16.062 -7.713) 20.590 7.015 ( -19.073 -11.895 4.560) 22.936 7.261 ( -18.576 -12.956 -13.477) 26.354 7.423 ( -1.962 12.241 15.711) 20.013 7.678 ( -10.456 7.307 -7.050) 14.575 7.793 ( -2.908 -17.193 10.341) 20.273 7.933 ( -5.376 -9.643 -1.698) 11.170 8.483 ( 3.547 10.521 0.236) 11.105 8.547 ( -2.384 5.862 -5.202) 8.192 8.705 ( 8.471 -8.010 -2.737) 11.975 8.737 ( 1.128 -8.230 -4.474) 9.435 9.191 ( 7.095 6.089 4.969) 10.588 9.249 ( 11.276 4.435 0.352) 12.122 9.335 ( 4.073 -4.607 0.311) 6.157 9.373 ( 8.620 -4.892 -2.280) 10.170 10.111 ( 21.881 6.321 7.923) 24.114 10.225 ( 23.197 2.480 -2.093) 23.422 10.235 ( 23.647 -3.090 3.240) 24.067 10.291 ( 25.376 -1.491 -1.218) 25.449 11.047 ( -2.741 7.204 21.376) 22.724 11.163 ( -2.563 -2.074 18.535) 18.826 11.386 ( 4.511 4.289 -5.381) 8.228 11.505 ( 7.170 -5.130 -4.905) 10.089 11.918 ( 5.039 8.051 -3.926) 10.278 11.949 ( 9.816 3.436 -2.471) 10.689 12.164 ( 10.207 -1.576 -13.145) 16.717 12.233 ( 7.204 -6.001 -17.508) 19.860 12.839 ( 6.948 41.702 2.124) 42.330 12.898 ( 6.600 42.978 -3.398) 43.614 13.294 ( -1.924 13.158 2.850) 13.600 13.350 ( -0.887 12.527 -2.873) 12.883 13.589 ( 1.832 -11.996 1.863) 12.277 13.649 ( 4.321 -15.691 -4.633) 16.922 13.930 ( 2.076 -30.171 1.785) 30.294 13.976 ( 2.564 -33.279 -2.610) 33.480 14.619 ( -0.790 5.431 9.082) 10.612 14.754 ( -1.706 -5.962 7.194) 9.497 14.774 ( -1.899 5.085 -6.096) 8.162 14.895 ( -2.675 -5.378 -6.286) 8.695 15.674 ( -11.589 0.936 12.438) 17.026 15.744 ( -9.681 -5.587 14.308) 18.157 15.856 ( -11.257 4.939 -4.810) 13.201 15.962 ( -10.253 -4.752 -6.422) 12.998 16.768 ( -24.172 7.967 2.175) 25.544 16.884 ( -26.222 6.566 -6.805) 27.875 16.975 ( -25.248 -8.634 1.380) 26.719 17.098 ( -26.705 -10.334 -8.256) 29.802 19.321 ( 25.268 6.333 10.154) 27.959 19.468 ( 22.446 -7.230 7.222) 24.663 19.572 ( 25.645 2.273 -14.587) 29.591 19.646 ( 23.181 -4.504 -10.185) 25.717 21.918 ( -9.475 0.281 13.185) 16.239 21.962 ( -9.657 -3.869 15.218) 18.434 22.140 ( -13.752 2.504 -8.981) 16.615 22.231 ( -14.708 -6.315 -11.087) 19.471 ======================= Grid point 245 (88/90) ======================= q-point: ( 0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 8.593 17.108 2.812) 19.350 3.650 ( 3.076 14.326 -0.957) 14.684 3.878 ( 4.505 -1.999 2.168) 5.384 3.943 ( 3.003 -10.719 -2.520) 11.414 4.076 ( 3.750 13.544 1.766) 14.164 4.182 ( 7.427 3.749 -6.608) 10.625 4.374 ( -1.893 -9.527 3.226) 10.235 4.464 ( 0.424 -16.623 -5.437) 17.495 5.018 ( -4.915 2.259 7.525) 9.268 5.053 ( -1.269 -1.437 8.198) 8.420 5.129 ( -8.699 4.185 -0.291) 9.658 5.301 ( -5.154 -8.966 -10.386) 14.657 5.933 ( -1.018 13.293 9.173) 16.183 6.010 ( -2.191 7.780 3.411) 8.773 6.134 ( 13.877 8.717 3.207) 16.699 6.314 ( -1.233 -8.565 -7.508) 11.456 6.510 ( -5.426 -0.843 15.414) 16.363 6.607 ( 3.749 -7.893 4.567) 9.859 6.763 ( -4.732 2.813 -12.127) 13.318 6.875 ( -16.368 -5.714 -18.642) 25.458 7.386 ( -3.987 10.527 7.501) 13.527 7.490 ( -8.959 9.686 -1.430) 13.271 7.709 ( -7.653 -14.527 5.121) 17.199 7.785 ( -10.420 -13.267 -1.607) 16.946 8.580 ( 8.219 14.516 -0.111) 16.682 8.640 ( 9.531 14.272 -5.459) 18.009 8.832 ( 9.378 -8.490 1.200) 12.707 8.909 ( 11.938 -9.753 -5.937) 16.519 9.278 ( 1.094 5.519 7.825) 9.638 9.372 ( -0.473 -1.709 4.083) 4.452 9.425 ( 5.999 1.437 -2.713) 6.739 9.491 ( 2.660 -3.217 -4.503) 6.140 10.442 ( 12.021 8.901 10.700) 18.391 10.602 ( 16.072 2.364 -0.345) 16.249 10.637 ( 15.100 -4.350 4.197) 16.265 10.718 ( 15.983 -3.074 1.783) 16.374 11.046 ( 4.618 5.681 18.398) 19.802 11.136 ( 0.445 -1.161 20.734) 20.772 11.492 ( 4.544 6.368 -19.554) 21.061 11.606 ( 1.138 -3.082 -20.822) 21.079 12.124 ( 19.000 10.150 6.758) 22.577 12.251 ( 20.798 3.279 1.459) 21.106 12.385 ( 15.656 1.285 -8.419) 17.822 12.510 ( 19.280 -4.085 -13.216) 23.729 12.990 ( 8.245 37.400 2.982) 38.414 13.045 ( 8.711 35.425 -2.431) 36.561 13.268 ( -0.459 18.719 4.131) 19.175 13.344 ( 0.538 14.176 -3.276) 14.560 13.624 ( 1.712 -11.883 4.028) 12.663 13.733 ( 4.273 -12.514 -6.920) 14.925 13.928 ( -2.713 -24.161 1.968) 24.392 13.984 ( -2.348 -30.644 -3.210) 30.901 14.573 ( -4.449 1.536 6.783) 8.256 14.693 ( -5.339 -6.153 4.254) 9.190 14.723 ( -3.801 1.225 -5.875) 7.104 14.828 ( -5.248 -5.887 -6.360) 10.132 15.473 ( -7.984 3.607 11.500) 14.457 15.566 ( -7.985 -2.153 9.116) 12.309 15.657 ( -7.745 1.488 0.593) 7.909 15.776 ( -7.849 -6.379 -4.159) 10.936 16.327 ( -21.753 4.658 0.144) 22.247 16.398 ( -22.969 4.540 -3.980) 23.749 16.499 ( -24.199 -7.117 -0.312) 25.226 16.601 ( -24.053 -9.800 -7.903) 27.148 19.792 ( 23.399 2.778 10.996) 26.002 19.886 ( 20.900 -5.969 8.531) 23.350 20.033 ( 21.862 -0.388 -12.764) 25.319 20.065 ( 19.948 -3.324 -9.261) 22.243 21.704 ( -12.508 0.231 8.256) 14.989 21.741 ( -13.031 -3.000 8.163) 15.667 21.835 ( -17.197 1.464 -4.713) 17.891 21.908 ( -18.131 -5.325 -7.005) 20.153 ======================= Grid point 246 (89/90) ======================= q-point: ( 0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( 5.577 9.580 1.882) 11.244 3.756 ( 6.666 9.870 0.133) 11.911 3.921 ( -0.468 -6.096 2.905) 6.769 3.960 ( -2.552 -8.098 -0.732) 8.522 4.205 ( 9.155 8.555 6.141) 13.954 4.346 ( 9.209 6.549 -5.137) 12.413 4.410 ( 7.093 -5.089 4.190) 9.683 4.510 ( 3.402 -5.444 -2.437) 6.867 4.901 ( -8.322 3.875 4.906) 10.409 4.923 ( -8.500 -0.126 3.662) 9.256 5.011 ( -4.135 -2.923 2.479) 5.638 5.140 ( -12.211 -9.939 -5.875) 16.805 5.852 ( -1.340 2.428 5.349) 6.026 5.918 ( -5.901 -0.164 4.222) 7.258 6.069 ( -13.189 -1.705 -3.860) 13.848 6.226 ( -12.644 -11.037 -12.846) 21.135 6.619 ( 11.792 9.353 2.774) 15.304 6.669 ( 14.320 10.313 -2.566) 17.833 6.888 ( 12.903 -8.007 -1.342) 15.244 6.918 ( 11.771 -4.079 -4.080) 13.109 7.249 ( -9.244 6.756 2.251) 11.669 7.290 ( -12.108 8.424 -1.072) 14.789 7.500 ( -13.318 -12.754 2.789) 18.650 7.543 ( -14.087 -12.565 -1.422) 18.930 8.790 ( 12.308 13.527 4.447) 18.821 8.859 ( 12.427 12.472 0.518) 17.614 9.050 ( 10.863 -4.465 1.491) 11.839 9.121 ( 7.785 -5.376 -3.046) 9.939 9.235 ( -4.159 7.144 7.192) 10.957 9.330 ( -2.300 -1.159 -0.348) 2.600 9.459 ( -3.684 -1.234 -6.666) 7.715 9.476 ( -2.540 -1.939 -5.584) 6.434 10.616 ( 7.105 8.842 16.683) 20.174 10.791 ( 3.102 -4.278 16.931) 17.736 10.822 ( 3.421 1.305 9.593) 10.268 10.838 ( 2.462 0.341 7.934) 8.314 11.205 ( 6.761 2.330 5.902) 9.272 11.255 ( 12.950 -2.748 -4.004) 13.831 11.489 ( -4.652 4.434 -21.269) 22.219 11.575 ( -3.558 -2.696 -21.430) 21.890 12.572 ( 23.474 16.758 6.144) 29.489 12.674 ( 19.887 10.839 3.215) 22.876 12.761 ( 19.152 14.848 -5.128) 24.770 12.879 ( 15.256 12.543 -9.461) 21.899 13.108 ( 5.027 26.653 7.152) 28.050 13.260 ( 9.149 15.839 -7.958) 19.948 13.292 ( 8.255 11.932 9.742) 17.477 13.445 ( 12.801 8.742 -3.344) 15.858 13.627 ( -2.649 -14.129 5.010) 15.223 13.752 ( -8.365 -5.795 -6.255) 11.945 13.836 ( -3.628 -16.900 0.940) 17.310 13.905 ( -4.018 -21.754 -4.307) 22.537 14.455 ( -6.861 -4.069 4.895) 9.359 14.539 ( -9.355 -7.883 1.525) 12.328 14.604 ( -8.763 -3.482 -8.560) 12.736 14.646 ( -13.154 -3.906 -6.829) 15.327 15.419 ( 2.695 5.735 9.464) 11.390 15.479 ( -0.284 3.484 5.760) 6.737 15.595 ( 1.008 -4.631 7.991) 9.291 15.689 ( -1.154 -8.806 1.573) 9.020 15.945 ( -16.580 4.451 -2.100) 17.295 16.007 ( -18.779 4.688 -6.176) 20.317 16.097 ( -14.963 -9.482 -1.018) 17.744 16.194 ( -17.739 -11.043 -8.710) 22.638 20.210 ( 19.342 0.068 9.502) 21.550 20.264 ( 17.777 -4.983 7.434) 19.903 20.391 ( 13.799 -2.400 -6.332) 15.371 20.394 ( 13.479 -2.739 -7.014) 15.439 21.458 ( -12.000 0.132 4.022) 12.657 21.477 ( -13.209 -0.484 1.238) 13.276 21.518 ( -14.346 -0.609 -1.319) 14.420 21.569 ( -15.752 -4.399 -4.343) 16.922 ======================= Grid point 247 (90/90) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.846 ( -4.118 1.049 2.827) 5.104 3.846 ( 4.118 1.049 2.827) 5.104 3.878 ( -3.559 -1.778 -0.497) 4.009 3.878 ( 3.559 -1.778 -0.497) 4.009 4.411 ( -10.136 9.262 10.032) 17.005 4.411 ( 10.136 9.262 10.032) 17.005 4.515 ( -3.034 2.961 1.423) 4.472 4.515 ( 3.034 2.961 1.423) 4.472 4.872 ( -9.943 -5.846 -0.438) 11.542 4.872 ( 9.943 -5.846 -0.438) 11.542 4.907 ( -6.119 -6.352 -3.235) 9.395 4.907 ( 6.119 -6.352 -3.235) 9.395 5.886 ( -4.751 -0.297 -1.235) 4.918 5.886 ( 4.751 -0.297 -1.235) 4.918 5.960 ( -10.160 -7.221 -7.889) 14.752 5.960 ( 10.160 -7.221 -7.889) 14.752 6.918 ( -14.257 10.611 2.298) 17.920 6.918 ( 14.257 10.611 2.298) 17.920 6.958 ( -13.285 9.916 -1.660) 16.661 6.958 ( 13.285 9.916 -1.660) 16.661 7.224 ( -11.304 -10.690 1.654) 15.646 7.224 ( 11.304 -10.690 1.654) 15.646 7.271 ( -11.438 -11.500 -2.660) 16.436 7.271 ( 11.438 -11.500 -2.660) 16.436 9.006 ( -7.308 10.840 9.056) 15.903 9.006 ( 7.308 10.840 9.056) 15.903 9.101 ( -6.365 4.842 4.369) 9.113 9.101 ( 6.365 4.842 4.369) 9.113 9.312 ( -9.210 -0.181 -5.034) 10.497 9.312 ( 9.210 -0.181 -5.034) 10.497 9.394 ( -5.764 -5.032 -8.870) 11.715 9.394 ( 5.764 -5.032 -8.870) 11.715 10.736 ( -5.402 7.020 19.757) 21.652 10.736 ( 5.402 7.020 19.757) 21.652 10.866 ( -0.905 -4.497 13.849) 14.589 10.866 ( 0.905 -4.497 13.849) 14.589 11.356 ( -7.925 4.771 -12.338) 15.420 11.356 ( 7.925 4.771 -12.338) 15.420 11.464 ( -8.064 -4.661 -16.066) 18.571 11.464 ( 8.064 -4.661 -16.066) 18.571 12.893 ( -7.178 31.111 1.871) 31.983 12.893 ( 7.178 31.111 1.871) 31.983 12.926 ( -4.497 26.242 -1.246) 26.654 12.926 ( 4.497 26.242 -1.246) 26.654 13.345 ( -6.312 -3.461 7.924) 10.706 13.345 ( 6.312 -3.461 7.924) 10.706 13.470 ( -9.598 -6.174 -4.586) 12.299 13.470 ( 9.598 -6.173 -4.586) 12.299 13.683 ( -13.201 -4.550 2.720) 14.225 13.683 ( 13.201 -4.550 2.720) 14.225 13.766 ( -14.329 -7.027 -5.052) 16.740 13.766 ( 14.329 -7.027 -5.052) 16.740 14.405 ( -4.789 -3.827 -0.980) 6.208 14.405 ( 4.789 -3.827 -0.980) 6.208 14.472 ( -2.641 -8.849 -7.302) 11.773 14.472 ( 2.641 -8.849 -7.302) 11.773 15.504 ( -1.638 4.823 11.267) 12.365 15.504 ( 1.638 4.823 11.267) 12.365 15.657 ( -5.329 -4.282 4.062) 7.952 15.657 ( 5.329 -4.282 4.062) 7.952 15.770 ( -1.885 1.753 0.023) 2.574 15.770 ( 1.885 1.753 0.023) 2.574 15.968 ( -3.216 -11.638 -11.564) 16.719 15.968 ( 3.216 -11.638 -11.564) 16.719 20.479 ( -5.982 -1.697 3.682) 7.227 20.479 ( 5.982 -1.697 3.682) 7.227 20.507 ( -4.476 -4.320 1.105) 6.318 20.507 ( 4.476 -4.320 1.105) 6.318 21.324 ( -0.801 1.253 0.770) 1.674 21.324 ( 0.801 1.253 0.770) 1.674 21.371 ( -2.249 -3.267 -3.778) 5.477 21.371 ( 2.249 -3.267 -3.778) 5.477 =================== 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 3/32400 10.0 1479.143 2143.492 2001.450 0.000 0.000 0.000 3/32400 20.0 1504.838 1420.536 1602.565 0.000 0.000 0.000 3/32400 30.0 637.164 543.171 608.853 0.000 0.000 0.000 3/32400 40.0 330.588 284.434 300.121 0.000 0.000 -0.000 3/32400 50.0 199.057 172.792 174.324 0.000 0.000 -0.000 3/32400 60.0 132.493 115.794 113.331 0.000 0.000 -0.000 3/32400 70.0 94.939 83.450 79.952 0.000 0.000 -0.000 3/32400 80.0 71.924 63.538 59.911 0.000 0.000 -0.000 3/32400 90.0 56.874 50.472 46.985 0.000 0.000 -0.000 3/32400 100.0 46.512 41.450 38.169 0.000 0.000 -0.000 3/32400 110.0 39.073 34.959 31.881 0.000 0.000 -0.000 3/32400 120.0 33.546 30.125 27.231 0.000 0.000 -0.000 3/32400 130.0 29.318 26.419 23.687 0.000 0.000 -0.000 3/32400 140.0 26.004 23.506 20.916 0.000 0.000 -0.000 3/32400 150.0 23.352 21.167 18.702 0.000 0.000 -0.000 3/32400 160.0 21.189 19.253 16.899 0.000 0.000 -0.000 3/32400 170.0 19.398 17.661 15.408 0.000 0.000 -0.000 3/32400 180.0 17.894 16.318 14.157 0.000 0.000 -0.000 3/32400 190.0 16.613 15.171 13.094 0.000 0.000 -0.000 3/32400 200.0 15.512 14.180 12.180 0.000 0.000 -0.000 3/32400 210.0 14.555 13.315 11.388 0.000 0.000 -0.000 3/32400 220.0 13.716 12.554 10.695 0.000 0.000 -0.000 3/32400 230.0 12.975 11.879 10.083 0.000 0.000 -0.000 3/32400 240.0 12.314 11.276 9.539 0.000 0.000 -0.000 3/32400 250.0 11.723 10.735 9.053 0.000 0.000 -0.000 3/32400 260.0 11.189 10.245 8.616 0.000 0.000 -0.000 3/32400 270.0 10.705 9.800 8.221 0.000 0.000 -0.000 3/32400 280.0 10.264 9.393 7.861 0.000 0.000 -0.000 3/32400 290.0 9.861 9.021 7.533 0.000 0.000 -0.000 3/32400 300.0 9.490 8.678 7.233 0.000 0.000 -0.000 3/32400 310.0 9.148 8.362 6.956 0.000 0.000 -0.000 3/32400 320.0 8.831 8.069 6.701 0.000 0.000 -0.000 3/32400 330.0 8.536 7.796 6.465 0.000 0.000 -0.000 3/32400 340.0 8.262 7.542 6.245 0.000 0.000 -0.000 3/32400 350.0 8.006 7.305 6.041 0.000 0.000 -0.000 3/32400 360.0 7.766 7.082 5.850 0.000 0.000 -0.000 3/32400 370.0 7.541 6.874 5.671 0.000 0.000 -0.000 3/32400 380.0 7.329 6.677 5.503 0.000 0.000 -0.000 3/32400 390.0 7.129 6.492 5.345 0.000 0.000 -0.000 3/32400 400.0 6.941 6.317 5.197 0.000 0.000 -0.000 3/32400 410.0 6.762 6.152 5.057 0.000 0.000 -0.000 3/32400 420.0 6.593 5.996 4.924 0.000 0.000 -0.000 3/32400 430.0 6.433 5.847 4.798 0.000 0.000 -0.000 3/32400 440.0 6.280 5.706 4.679 0.000 0.000 -0.000 3/32400 450.0 6.135 5.572 4.566 0.000 0.000 -0.000 3/32400 460.0 5.996 5.444 4.459 0.000 0.000 -0.000 3/32400 470.0 5.864 5.321 4.356 0.000 0.000 -0.000 3/32400 480.0 5.737 5.205 4.258 0.000 0.000 -0.000 3/32400 490.0 5.616 5.093 4.165 0.000 0.000 -0.000 3/32400 500.0 5.501 4.987 4.076 0.000 0.000 -0.000 3/32400 510.0 5.390 4.884 3.990 0.000 0.000 -0.000 3/32400 520.0 5.283 4.786 3.909 0.000 0.000 -0.000 3/32400 530.0 5.181 4.692 3.830 0.000 0.000 -0.000 3/32400 540.0 5.083 4.602 3.755 0.000 0.000 -0.000 3/32400 550.0 4.988 4.515 3.683 0.000 0.000 -0.000 3/32400 560.0 4.897 4.431 3.613 0.000 0.000 -0.000 3/32400 570.0 4.810 4.351 3.547 0.000 0.000 -0.000 3/32400 580.0 4.725 4.273 3.482 0.000 0.000 -0.000 3/32400 590.0 4.643 4.198 3.420 0.000 0.000 -0.000 3/32400 600.0 4.565 4.126 3.361 0.000 0.000 -0.000 3/32400 610.0 4.489 4.057 3.303 0.000 0.000 -0.000 3/32400 620.0 4.415 3.989 3.247 0.000 0.000 -0.000 3/32400 630.0 4.344 3.924 3.193 0.000 0.000 -0.000 3/32400 640.0 4.275 3.861 3.141 0.000 0.000 -0.000 3/32400 650.0 4.208 3.800 3.091 0.000 0.000 -0.000 3/32400 660.0 4.144 3.741 3.043 0.000 0.000 -0.000 3/32400 670.0 4.081 3.684 2.995 0.000 0.000 -0.000 3/32400 680.0 4.020 3.628 2.950 0.000 0.000 -0.000 3/32400 690.0 3.962 3.574 2.905 0.000 0.000 -0.000 3/32400 700.0 3.904 3.522 2.862 0.000 0.000 -0.000 3/32400 710.0 3.849 3.472 2.821 0.000 0.000 -0.000 3/32400 720.0 3.795 3.422 2.780 0.000 0.000 -0.000 3/32400 730.0 3.742 3.374 2.741 0.000 0.000 -0.000 3/32400 740.0 3.691 3.328 2.703 0.000 0.000 -0.000 3/32400 750.0 3.642 3.283 2.666 0.000 0.000 -0.000 3/32400 760.0 3.593 3.239 2.630 0.000 0.000 -0.000 3/32400 770.0 3.546 3.196 2.595 0.000 0.000 -0.000 3/32400 780.0 3.500 3.154 2.560 0.000 0.000 -0.000 3/32400 790.0 3.456 3.114 2.527 0.000 0.000 -0.000 3/32400 800.0 3.412 3.074 2.495 0.000 0.000 -0.000 3/32400 810.0 3.370 3.035 2.463 0.000 0.000 -0.000 3/32400 820.0 3.328 2.998 2.432 0.000 0.000 -0.000 3/32400 830.0 3.288 2.961 2.402 0.000 0.000 -0.000 3/32400 840.0 3.249 2.925 2.373 0.000 0.000 -0.000 3/32400 850.0 3.210 2.890 2.344 0.000 0.000 -0.000 3/32400 860.0 3.173 2.856 2.317 0.000 0.000 -0.000 3/32400 870.0 3.136 2.823 2.289 0.000 0.000 -0.000 3/32400 880.0 3.100 2.791 2.263 0.000 0.000 -0.000 3/32400 890.0 3.065 2.759 2.237 0.000 0.000 -0.000 3/32400 900.0 3.031 2.728 2.212 0.000 0.000 -0.000 3/32400 910.0 2.998 2.697 2.187 0.000 0.000 -0.000 3/32400 920.0 2.965 2.668 2.163 0.000 0.000 -0.000 3/32400 930.0 2.933 2.639 2.139 0.000 0.000 -0.000 3/32400 940.0 2.901 2.610 2.116 0.000 0.000 -0.000 3/32400 950.0 2.871 2.583 2.093 0.000 0.000 -0.000 3/32400 960.0 2.841 2.555 2.071 0.000 0.000 -0.000 3/32400 970.0 2.811 2.529 2.049 0.000 0.000 -0.000 3/32400 980.0 2.783 2.503 2.028 0.000 0.000 -0.000 3/32400 990.0 2.754 2.477 2.007 0.000 0.000 -0.000 3/32400 1000.0 2.727 2.452 1.987 0.000 0.000 -0.000 3/32400 Thermal conductivity related properties were written into "kappa-m1095.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:20:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|