----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:59:03]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.404679240003370 0.000000000000000 0.000000000000000 b 0.000000000000000 6.723766080000000 0.000000000000000 c -2.881473081524633 0.000000000000000 5.964517785854234 Atomic positions (fractional): *1 O 0.66836416224688 0.38621095000891 0.43837753139022 15.999 2 O 0.33163583775312 0.88621095000891 0.06162246860978 15.999 3 O 0.33163583775312 0.61378904999109 0.56162246860979 15.999 4 O 0.66836416224688 0.11378904999109 0.93837753139021 15.999 *5 Cl 0.19251382000269 0.36318895781208 0.93430785733998 35.453 6 Cl 0.80748617999731 0.86318895781208 0.56569214266002 35.453 7 Cl 0.19251382000269 0.13681104218792 0.43430785733998 35.453 8 Cl 0.80748617999731 0.63681104218792 0.06569214266002 35.453 *9 Cd 0.58813626184866 0.12425344242557 0.23354859121494 112.411 10 Cd 0.41186373815134 0.62425344242557 0.26645140878506 112.411 11 Cd 0.41186373815134 0.87574655757443 0.76645140878506 112.411 12 Cd 0.58813626184866 0.37574655757443 0.73354859121494 112.411 *13 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 14 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.404679240003370 0.000000000000000 0.000000000000000 b 0.000000000000000 6.723766080000000 0.000000000000000 c -2.881473081524633 0.000000000000000 5.964517785854234 Atomic positions (fractional): *1 O 0.66836416224688 0.38621095000891 0.43837753139022 15.999 > 1 2 O 0.33163583775312 0.88621095000891 0.06162246860978 15.999 > 2 3 O 0.33163583775312 0.61378904999109 0.56162246860979 15.999 > 3 4 O 0.66836416224688 0.11378904999109 0.93837753139021 15.999 > 4 *5 Cl 0.19251382000269 0.36318895781208 0.93430785733998 35.453 > 5 6 Cl 0.80748617999731 0.86318895781208 0.56569214266002 35.453 > 6 7 Cl 0.19251382000269 0.13681104218792 0.43430785733998 35.453 > 7 8 Cl 0.80748617999731 0.63681104218792 0.06569214266002 35.453 > 8 *9 Cd 0.58813626184866 0.12425344242557 0.23354859121494 112.411 > 9 10 Cd 0.41186373815134 0.62425344242557 0.26645140878506 112.411 > 10 11 Cd 0.41186373815134 0.87574655757443 0.76645140878506 112.411 > 11 12 Cd 0.58813626184866 0.37574655757443 0.73354859121494 112.411 > 12 *13 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 13 14 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.809358480006740 0.000000000000000 0.000000000000000 b 0.000000000000000 13.447532160000000 0.000000000000000 c -5.762946163049266 0.000000000000000 11.929035571708468 Atomic positions (fractional): *1 O 0.33418208112344 0.19310547500445 0.21918876569511 15.999 > 1 2 O 0.83418208112344 0.19310547500445 0.21918876569511 15.999 > 1 3 O 0.33418208112344 0.69310547500445 0.21918876569511 15.999 > 1 4 O 0.83418208112344 0.69310547500445 0.21918876569511 15.999 > 1 5 O 0.33418208112344 0.19310547500445 0.71918876569511 15.999 > 1 6 O 0.83418208112344 0.19310547500445 0.71918876569511 15.999 > 1 7 O 0.33418208112344 0.69310547500445 0.71918876569511 15.999 > 1 8 O 0.83418208112344 0.69310547500445 0.71918876569511 15.999 > 1 9 O 0.16581791887656 0.44310547500445 0.03081123430489 15.999 > 2 10 O 0.66581791887656 0.44310547500445 0.03081123430489 15.999 > 2 11 O 0.16581791887656 0.94310547500445 0.03081123430489 15.999 > 2 12 O 0.66581791887656 0.94310547500445 0.03081123430489 15.999 > 2 13 O 0.16581791887656 0.44310547500445 0.53081123430489 15.999 > 2 14 O 0.66581791887656 0.44310547500445 0.53081123430489 15.999 > 2 15 O 0.16581791887656 0.94310547500445 0.53081123430489 15.999 > 2 16 O 0.66581791887656 0.94310547500445 0.53081123430489 15.999 > 2 17 O 0.16581791887656 0.30689452499555 0.28081123430489 15.999 > 3 18 O 0.66581791887656 0.30689452499555 0.28081123430489 15.999 > 3 19 O 0.16581791887656 0.80689452499555 0.28081123430489 15.999 > 3 20 O 0.66581791887656 0.80689452499555 0.28081123430489 15.999 > 3 21 O 0.16581791887656 0.30689452499555 0.78081123430489 15.999 > 3 22 O 0.66581791887656 0.30689452499555 0.78081123430489 15.999 > 3 23 O 0.16581791887656 0.80689452499555 0.78081123430489 15.999 > 3 24 O 0.66581791887656 0.80689452499555 0.78081123430489 15.999 > 3 25 O 0.33418208112344 0.05689452499555 0.46918876569511 15.999 > 4 26 O 0.83418208112344 0.05689452499555 0.46918876569511 15.999 > 4 27 O 0.33418208112344 0.55689452499555 0.46918876569511 15.999 > 4 28 O 0.83418208112344 0.55689452499555 0.46918876569511 15.999 > 4 29 O 0.33418208112344 0.05689452499555 0.96918876569511 15.999 > 4 30 O 0.83418208112344 0.05689452499555 0.96918876569511 15.999 > 4 31 O 0.33418208112344 0.55689452499555 0.96918876569511 15.999 > 4 32 O 0.83418208112344 0.55689452499555 0.96918876569511 15.999 > 4 *33 Cl 0.09625691000134 0.18159447890604 0.46715392866999 35.453 > 5 34 Cl 0.59625691000134 0.18159447890604 0.46715392866999 35.453 > 5 35 Cl 0.09625691000134 0.68159447890604 0.46715392866999 35.453 > 5 36 Cl 0.59625691000134 0.68159447890604 0.46715392866999 35.453 > 5 37 Cl 0.09625691000134 0.18159447890604 0.96715392866999 35.453 > 5 38 Cl 0.59625691000134 0.18159447890604 0.96715392866999 35.453 > 5 39 Cl 0.09625691000134 0.68159447890604 0.96715392866999 35.453 > 5 40 Cl 0.59625691000134 0.68159447890604 0.96715392866999 35.453 > 5 41 Cl 0.40374308999866 0.43159447890604 0.28284607133001 35.453 > 6 42 Cl 0.90374308999866 0.43159447890604 0.28284607133001 35.453 > 6 43 Cl 0.40374308999866 0.93159447890604 0.28284607133001 35.453 > 6 44 Cl 0.90374308999866 0.93159447890604 0.28284607133001 35.453 > 6 45 Cl 0.40374308999866 0.43159447890604 0.78284607133001 35.453 > 6 46 Cl 0.90374308999866 0.43159447890604 0.78284607133001 35.453 > 6 47 Cl 0.40374308999866 0.93159447890604 0.78284607133001 35.453 > 6 48 Cl 0.90374308999866 0.93159447890604 0.78284607133001 35.453 > 6 49 Cl 0.09625691000134 0.06840552109396 0.21715392866999 35.453 > 7 50 Cl 0.59625691000134 0.06840552109396 0.21715392866999 35.453 > 7 51 Cl 0.09625691000134 0.56840552109396 0.21715392866999 35.453 > 7 52 Cl 0.59625691000134 0.56840552109396 0.21715392866999 35.453 > 7 53 Cl 0.09625691000134 0.06840552109396 0.71715392866999 35.453 > 7 54 Cl 0.59625691000134 0.06840552109396 0.71715392866999 35.453 > 7 55 Cl 0.09625691000134 0.56840552109396 0.71715392866999 35.453 > 7 56 Cl 0.59625691000134 0.56840552109396 0.71715392866999 35.453 > 7 57 Cl 0.40374308999866 0.31840552109396 0.03284607133001 35.453 > 8 58 Cl 0.90374308999866 0.31840552109396 0.03284607133001 35.453 > 8 59 Cl 0.40374308999866 0.81840552109396 0.03284607133001 35.453 > 8 60 Cl 0.90374308999866 0.81840552109396 0.03284607133001 35.453 > 8 61 Cl 0.40374308999866 0.31840552109396 0.53284607133001 35.453 > 8 62 Cl 0.90374308999866 0.31840552109396 0.53284607133001 35.453 > 8 63 Cl 0.40374308999866 0.81840552109396 0.53284607133001 35.453 > 8 64 Cl 0.90374308999866 0.81840552109396 0.53284607133001 35.453 > 8 *65 Cd 0.29406813092433 0.06212672121279 0.11677429560747 112.411 > 9 66 Cd 0.79406813092433 0.06212672121279 0.11677429560747 112.411 > 9 67 Cd 0.29406813092433 0.56212672121279 0.11677429560747 112.411 > 9 68 Cd 0.79406813092433 0.56212672121279 0.11677429560747 112.411 > 9 69 Cd 0.29406813092433 0.06212672121279 0.61677429560747 112.411 > 9 70 Cd 0.79406813092433 0.06212672121279 0.61677429560747 112.411 > 9 71 Cd 0.29406813092433 0.56212672121279 0.61677429560747 112.411 > 9 72 Cd 0.79406813092433 0.56212672121279 0.61677429560747 112.411 > 9 73 Cd 0.20593186907567 0.31212672121279 0.13322570439253 112.411 > 10 74 Cd 0.70593186907567 0.31212672121279 0.13322570439253 112.411 > 10 75 Cd 0.20593186907567 0.81212672121279 0.13322570439253 112.411 > 10 76 Cd 0.70593186907567 0.81212672121279 0.13322570439253 112.411 > 10 77 Cd 0.20593186907567 0.31212672121279 0.63322570439253 112.411 > 10 78 Cd 0.70593186907567 0.31212672121279 0.63322570439253 112.411 > 10 79 Cd 0.20593186907567 0.81212672121279 0.63322570439253 112.411 > 10 80 Cd 0.70593186907567 0.81212672121279 0.63322570439253 112.411 > 10 81 Cd 0.20593186907567 0.43787327878721 0.38322570439253 112.411 > 11 82 Cd 0.70593186907567 0.43787327878721 0.38322570439253 112.411 > 11 83 Cd 0.20593186907567 0.93787327878721 0.38322570439253 112.411 > 11 84 Cd 0.70593186907567 0.93787327878721 0.38322570439253 112.411 > 11 85 Cd 0.20593186907567 0.43787327878721 0.88322570439253 112.411 > 11 86 Cd 0.70593186907567 0.43787327878721 0.88322570439253 112.411 > 11 87 Cd 0.20593186907567 0.93787327878721 0.88322570439253 112.411 > 11 88 Cd 0.70593186907567 0.93787327878721 0.88322570439253 112.411 > 11 89 Cd 0.29406813092433 0.18787327878721 0.36677429560747 112.411 > 12 90 Cd 0.79406813092433 0.18787327878721 0.36677429560747 112.411 > 12 91 Cd 0.29406813092433 0.68787327878721 0.36677429560747 112.411 > 12 92 Cd 0.79406813092433 0.68787327878721 0.36677429560747 112.411 > 12 93 Cd 0.29406813092433 0.18787327878721 0.86677429560747 112.411 > 12 94 Cd 0.79406813092433 0.18787327878721 0.86677429560747 112.411 > 12 95 Cd 0.29406813092433 0.68787327878721 0.86677429560747 112.411 > 12 96 Cd 0.79406813092433 0.68787327878721 0.86677429560747 112.411 > 12 *97 Cd 0.00000000000000 0.25000000000000 0.25000000000000 112.411 > 13 98 Cd 0.50000000000000 0.25000000000000 0.25000000000000 112.411 > 13 99 Cd 0.00000000000000 0.75000000000000 0.25000000000000 112.411 > 13 100 Cd 0.50000000000000 0.75000000000000 0.25000000000000 112.411 > 13 101 Cd 0.00000000000000 0.25000000000000 0.75000000000000 112.411 > 13 102 Cd 0.50000000000000 0.25000000000000 0.75000000000000 112.411 > 13 103 Cd 0.00000000000000 0.75000000000000 0.75000000000000 112.411 > 13 104 Cd 0.50000000000000 0.75000000000000 0.75000000000000 112.411 > 13 105 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 14 106 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 14 107 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 14 108 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 14 109 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 14 110 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 14 111 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 14 112 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9136294 0.0000000 -0.0358487 0.0000000 4.9217163 0.0000000 -0.0358486 0.0000000 4.9807785 -------------------------- Born effective charges -------------------------- 1 O -2.1778324 0.0850236 0.1219608 -0.0160928 -2.0658756 -0.1350931 0.0883793 -0.1647386 -1.9494238 2 O -2.1778324 -0.0850236 0.1219608 0.0160928 -2.0658756 0.1350931 0.0883793 0.1647386 -1.9494238 3 O -2.1778324 0.0850236 0.1219608 -0.0160928 -2.0658756 -0.1350931 0.0883793 -0.1647386 -1.9494238 4 O -2.1778324 -0.0850236 0.1219608 0.0160928 -2.0658756 0.1350931 0.0883793 0.1647386 -1.9494238 5 Cl -1.2410069 -0.2108168 -0.1911436 -0.1688649 -1.5195775 0.0282370 -0.1465143 0.1143786 -1.6894407 6 Cl -1.2410069 0.2108168 -0.1911436 0.1688649 -1.5195775 -0.0282370 -0.1465143 -0.1143786 -1.6894407 7 Cl -1.2410069 0.2108168 -0.1911436 0.1688649 -1.5195775 -0.0282370 -0.1465143 -0.1143786 -1.6894407 8 Cl -1.2410069 -0.2108168 -0.1911436 -0.1688649 -1.5195775 0.0282370 -0.1465143 0.1143786 -1.6894407 9 Cd 2.1228167 0.0259751 -0.0528650 0.0006195 2.4719477 0.0911659 -0.0432315 0.0585855 2.4863825 10 Cd 2.1228167 -0.0259751 -0.0528650 -0.0006195 2.4719477 -0.0911659 -0.0432315 -0.0585855 2.4863825 11 Cd 2.1228167 0.0259751 -0.0528650 0.0006195 2.4719477 0.0911659 -0.0432315 0.0585855 2.4863825 12 Cd 2.1228167 -0.0259751 -0.0528650 -0.0006195 2.4719477 -0.0911659 -0.0432315 -0.0585855 2.4863825 13 Cd 2.5920454 -0.0364975 0.2440957 -0.0041879 2.2270107 -0.2294762 0.2027330 -0.2181450 2.3049640 14 Cd 2.5920454 0.0364975 0.2440957 0.0041879 2.2270107 0.2294762 0.2027330 0.2181450 2.3049640 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1866 Number of blocks in projector: 1866 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1866, 1831), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (396, 389), data: True |-- (396, 388), data: True |-- (396, 388), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.336 Solver_block: 200 / 480 - Time: 3.314 Solver_block: 300 / 480 - Time: 3.148 Solver_block: 400 / 480 - Time: 3.073 Solver_block: 480 / 480 - Time: 2.503 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.603 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1866 Number of blocks in projector: 1866 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1866, 1831), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (396, 389), data: True |-- (396, 388), data: True |-- (396, 388), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:59:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:59:46]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.404679240003370 0.000000000000000 0.000000000000000 b 0.000000000000000 6.723766080000000 0.000000000000000 c -2.881473081524633 0.000000000000000 5.964517785854234 Atomic positions (fractional): 1 O 0.66836416224688 0.38621095000891 0.43837753139022 15.999 2 O 0.33163583775312 0.88621095000891 0.06162246860978 15.999 3 O 0.33163583775312 0.61378904999109 0.56162246860979 15.999 4 O 0.66836416224688 0.11378904999109 0.93837753139021 15.999 5 Cl 0.19251382000269 0.36318895781208 0.93430785733998 35.453 6 Cl 0.80748617999731 0.86318895781208 0.56569214266002 35.453 7 Cl 0.19251382000269 0.13681104218792 0.43430785733998 35.453 8 Cl 0.80748617999731 0.63681104218792 0.06569214266002 35.453 9 Cd 0.58813626184866 0.12425344242557 0.23354859121494 112.411 10 Cd 0.41186373815134 0.62425344242557 0.26645140878506 112.411 11 Cd 0.41186373815134 0.87574655757443 0.76645140878506 112.411 12 Cd 0.58813626184866 0.37574655757443 0.73354859121494 112.411 13 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 14 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.809358480006740 0.000000000000000 0.000000000000000 b 0.000000000000000 13.447532160000000 0.000000000000000 c -5.762946163049266 0.000000000000000 11.929035571708468 Atomic positions (fractional): 1 O 0.33418208112344 0.19310547500445 0.21918876569511 15.999 > 1 2 O 0.83418208112344 0.19310547500445 0.21918876569511 15.999 > 1 3 O 0.33418208112344 0.69310547500445 0.21918876569511 15.999 > 1 4 O 0.83418208112344 0.69310547500445 0.21918876569511 15.999 > 1 5 O 0.33418208112344 0.19310547500445 0.71918876569511 15.999 > 1 6 O 0.83418208112344 0.19310547500445 0.71918876569511 15.999 > 1 7 O 0.33418208112344 0.69310547500445 0.71918876569511 15.999 > 1 8 O 0.83418208112344 0.69310547500445 0.71918876569511 15.999 > 1 9 O 0.16581791887656 0.44310547500445 0.03081123430489 15.999 > 9 10 O 0.66581791887656 0.44310547500445 0.03081123430489 15.999 > 9 11 O 0.16581791887656 0.94310547500445 0.03081123430489 15.999 > 9 12 O 0.66581791887656 0.94310547500445 0.03081123430489 15.999 > 9 13 O 0.16581791887656 0.44310547500445 0.53081123430489 15.999 > 9 14 O 0.66581791887656 0.44310547500445 0.53081123430489 15.999 > 9 15 O 0.16581791887656 0.94310547500445 0.53081123430489 15.999 > 9 16 O 0.66581791887656 0.94310547500445 0.53081123430489 15.999 > 9 17 O 0.16581791887656 0.30689452499555 0.28081123430489 15.999 > 17 18 O 0.66581791887656 0.30689452499555 0.28081123430489 15.999 > 17 19 O 0.16581791887656 0.80689452499555 0.28081123430489 15.999 > 17 20 O 0.66581791887656 0.80689452499555 0.28081123430489 15.999 > 17 21 O 0.16581791887656 0.30689452499555 0.78081123430489 15.999 > 17 22 O 0.66581791887656 0.30689452499555 0.78081123430489 15.999 > 17 23 O 0.16581791887656 0.80689452499555 0.78081123430489 15.999 > 17 24 O 0.66581791887656 0.80689452499555 0.78081123430489 15.999 > 17 25 O 0.33418208112344 0.05689452499555 0.46918876569511 15.999 > 25 26 O 0.83418208112344 0.05689452499555 0.46918876569511 15.999 > 25 27 O 0.33418208112344 0.55689452499555 0.46918876569511 15.999 > 25 28 O 0.83418208112344 0.55689452499555 0.46918876569511 15.999 > 25 29 O 0.33418208112344 0.05689452499555 0.96918876569511 15.999 > 25 30 O 0.83418208112344 0.05689452499555 0.96918876569511 15.999 > 25 31 O 0.33418208112344 0.55689452499555 0.96918876569511 15.999 > 25 32 O 0.83418208112344 0.55689452499555 0.96918876569511 15.999 > 25 33 Cl 0.09625691000134 0.18159447890604 0.46715392866999 35.453 > 33 34 Cl 0.59625691000134 0.18159447890604 0.46715392866999 35.453 > 33 35 Cl 0.09625691000134 0.68159447890604 0.46715392866999 35.453 > 33 36 Cl 0.59625691000134 0.68159447890604 0.46715392866999 35.453 > 33 37 Cl 0.09625691000134 0.18159447890604 0.96715392866999 35.453 > 33 38 Cl 0.59625691000134 0.18159447890604 0.96715392866999 35.453 > 33 39 Cl 0.09625691000134 0.68159447890604 0.96715392866999 35.453 > 33 40 Cl 0.59625691000134 0.68159447890604 0.96715392866999 35.453 > 33 41 Cl 0.40374308999866 0.43159447890604 0.28284607133001 35.453 > 41 42 Cl 0.90374308999866 0.43159447890604 0.28284607133001 35.453 > 41 43 Cl 0.40374308999866 0.93159447890604 0.28284607133001 35.453 > 41 44 Cl 0.90374308999866 0.93159447890604 0.28284607133001 35.453 > 41 45 Cl 0.40374308999866 0.43159447890604 0.78284607133001 35.453 > 41 46 Cl 0.90374308999866 0.43159447890604 0.78284607133001 35.453 > 41 47 Cl 0.40374308999866 0.93159447890604 0.78284607133001 35.453 > 41 48 Cl 0.90374308999866 0.93159447890604 0.78284607133001 35.453 > 41 49 Cl 0.09625691000134 0.06840552109396 0.21715392866999 35.453 > 49 50 Cl 0.59625691000134 0.06840552109396 0.21715392866999 35.453 > 49 51 Cl 0.09625691000134 0.56840552109396 0.21715392866999 35.453 > 49 52 Cl 0.59625691000134 0.56840552109396 0.21715392866999 35.453 > 49 53 Cl 0.09625691000134 0.06840552109396 0.71715392866999 35.453 > 49 54 Cl 0.59625691000134 0.06840552109396 0.71715392866999 35.453 > 49 55 Cl 0.09625691000134 0.56840552109396 0.71715392866999 35.453 > 49 56 Cl 0.59625691000134 0.56840552109396 0.71715392866999 35.453 > 49 57 Cl 0.40374308999866 0.31840552109396 0.03284607133001 35.453 > 57 58 Cl 0.90374308999866 0.31840552109396 0.03284607133001 35.453 > 57 59 Cl 0.40374308999866 0.81840552109396 0.03284607133001 35.453 > 57 60 Cl 0.90374308999866 0.81840552109396 0.03284607133001 35.453 > 57 61 Cl 0.40374308999866 0.31840552109396 0.53284607133001 35.453 > 57 62 Cl 0.90374308999866 0.31840552109396 0.53284607133001 35.453 > 57 63 Cl 0.40374308999866 0.81840552109396 0.53284607133001 35.453 > 57 64 Cl 0.90374308999866 0.81840552109396 0.53284607133001 35.453 > 57 65 Cd 0.29406813092433 0.06212672121279 0.11677429560747 112.411 > 65 66 Cd 0.79406813092433 0.06212672121279 0.11677429560747 112.411 > 65 67 Cd 0.29406813092433 0.56212672121279 0.11677429560747 112.411 > 65 68 Cd 0.79406813092433 0.56212672121279 0.11677429560747 112.411 > 65 69 Cd 0.29406813092433 0.06212672121279 0.61677429560747 112.411 > 65 70 Cd 0.79406813092433 0.06212672121279 0.61677429560747 112.411 > 65 71 Cd 0.29406813092433 0.56212672121279 0.61677429560747 112.411 > 65 72 Cd 0.79406813092433 0.56212672121279 0.61677429560747 112.411 > 65 73 Cd 0.20593186907567 0.31212672121279 0.13322570439253 112.411 > 73 74 Cd 0.70593186907567 0.31212672121279 0.13322570439253 112.411 > 73 75 Cd 0.20593186907567 0.81212672121279 0.13322570439253 112.411 > 73 76 Cd 0.70593186907567 0.81212672121279 0.13322570439253 112.411 > 73 77 Cd 0.20593186907567 0.31212672121279 0.63322570439253 112.411 > 73 78 Cd 0.70593186907567 0.31212672121279 0.63322570439253 112.411 > 73 79 Cd 0.20593186907567 0.81212672121279 0.63322570439253 112.411 > 73 80 Cd 0.70593186907567 0.81212672121279 0.63322570439253 112.411 > 73 81 Cd 0.20593186907567 0.43787327878721 0.38322570439253 112.411 > 81 82 Cd 0.70593186907567 0.43787327878721 0.38322570439253 112.411 > 81 83 Cd 0.20593186907567 0.93787327878721 0.38322570439253 112.411 > 81 84 Cd 0.70593186907567 0.93787327878721 0.38322570439253 112.411 > 81 85 Cd 0.20593186907567 0.43787327878721 0.88322570439253 112.411 > 81 86 Cd 0.70593186907567 0.43787327878721 0.88322570439253 112.411 > 81 87 Cd 0.20593186907567 0.93787327878721 0.88322570439253 112.411 > 81 88 Cd 0.70593186907567 0.93787327878721 0.88322570439253 112.411 > 81 89 Cd 0.29406813092433 0.18787327878721 0.36677429560747 112.411 > 89 90 Cd 0.79406813092433 0.18787327878721 0.36677429560747 112.411 > 89 91 Cd 0.29406813092433 0.68787327878721 0.36677429560747 112.411 > 89 92 Cd 0.79406813092433 0.68787327878721 0.36677429560747 112.411 > 89 93 Cd 0.29406813092433 0.18787327878721 0.86677429560747 112.411 > 89 94 Cd 0.79406813092433 0.18787327878721 0.86677429560747 112.411 > 89 95 Cd 0.29406813092433 0.68787327878721 0.86677429560747 112.411 > 89 96 Cd 0.79406813092433 0.68787327878721 0.86677429560747 112.411 > 89 97 Cd 0.00000000000000 0.25000000000000 0.25000000000000 112.411 > 97 98 Cd 0.50000000000000 0.25000000000000 0.25000000000000 112.411 > 97 99 Cd 0.00000000000000 0.75000000000000 0.25000000000000 112.411 > 97 100 Cd 0.50000000000000 0.75000000000000 0.25000000000000 112.411 > 97 101 Cd 0.00000000000000 0.25000000000000 0.75000000000000 112.411 > 97 102 Cd 0.50000000000000 0.25000000000000 0.75000000000000 112.411 > 97 103 Cd 0.00000000000000 0.75000000000000 0.75000000000000 112.411 > 97 104 Cd 0.50000000000000 0.75000000000000 0.75000000000000 112.411 > 97 105 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 105 106 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 105 107 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 105 108 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 105 109 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 105 110 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 105 111 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 105 112 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9136294 0.0000000 -0.0358487 0.0000000 4.9217163 0.0000000 -0.0358486 0.0000000 4.9807785 -------------------------- Born effective charges -------------------------- 1 O -2.1778324 0.0850236 0.1219608 -0.0160928 -2.0658756 -0.1350931 0.0883793 -0.1647386 -1.9494238 2 O -2.1778324 -0.0850236 0.1219608 0.0160928 -2.0658756 0.1350931 0.0883793 0.1647386 -1.9494238 3 O -2.1778324 0.0850236 0.1219608 -0.0160928 -2.0658756 -0.1350931 0.0883793 -0.1647386 -1.9494238 4 O -2.1778324 -0.0850236 0.1219608 0.0160928 -2.0658756 0.1350931 0.0883793 0.1647386 -1.9494238 5 Cl -1.2410069 -0.2108168 -0.1911436 -0.1688649 -1.5195775 0.0282370 -0.1465143 0.1143786 -1.6894407 6 Cl -1.2410069 0.2108168 -0.1911436 0.1688649 -1.5195775 -0.0282370 -0.1465143 -0.1143786 -1.6894407 7 Cl -1.2410069 0.2108168 -0.1911436 0.1688649 -1.5195775 -0.0282370 -0.1465143 -0.1143786 -1.6894407 8 Cl -1.2410069 -0.2108168 -0.1911436 -0.1688649 -1.5195775 0.0282370 -0.1465143 0.1143786 -1.6894407 9 Cd 2.1228167 0.0259751 -0.0528650 0.0006195 2.4719477 0.0911659 -0.0432315 0.0585855 2.4863825 10 Cd 2.1228167 -0.0259751 -0.0528650 -0.0006195 2.4719477 -0.0911659 -0.0432315 -0.0585855 2.4863825 11 Cd 2.1228167 0.0259751 -0.0528650 0.0006195 2.4719477 0.0911659 -0.0432315 0.0585855 2.4863825 12 Cd 2.1228167 -0.0259751 -0.0528650 -0.0006195 2.4719477 -0.0911659 -0.0432315 -0.0585855 2.4863825 13 Cd 2.5920454 -0.0364975 0.2440957 -0.0041879 2.2270107 -0.2294762 0.2027330 -0.2181450 2.3049640 14 Cd 2.5920454 0.0364975 0.2440957 0.0041879 2.2270107 0.2294762 0.2027330 0.2181450 2.3049640 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 97, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:00:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:00:06]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.404679240003370 0.000000000000000 0.000000000000000 b 0.000000000000000 6.723766080000000 0.000000000000000 c -2.881473081524633 0.000000000000000 5.964517785854234 Atomic positions (fractional): 1 O 0.66836416224688 0.38621095000891 0.43837753139022 15.999 2 O 0.33163583775312 0.88621095000891 0.06162246860978 15.999 3 O 0.33163583775312 0.61378904999109 0.56162246860979 15.999 4 O 0.66836416224688 0.11378904999109 0.93837753139021 15.999 5 Cl 0.19251382000269 0.36318895781208 0.93430785733998 35.453 6 Cl 0.80748617999731 0.86318895781208 0.56569214266002 35.453 7 Cl 0.19251382000269 0.13681104218792 0.43430785733998 35.453 8 Cl 0.80748617999731 0.63681104218792 0.06569214266002 35.453 9 Cd 0.58813626184866 0.12425344242557 0.23354859121494 112.411 10 Cd 0.41186373815134 0.62425344242557 0.26645140878506 112.411 11 Cd 0.41186373815134 0.87574655757443 0.76645140878506 112.411 12 Cd 0.58813626184866 0.37574655757443 0.73354859121494 112.411 13 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 14 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.809358480006740 0.000000000000000 0.000000000000000 b 0.000000000000000 13.447532160000000 0.000000000000000 c -5.762946163049266 0.000000000000000 11.929035571708468 Atomic positions (fractional): 1 O 0.33418208112344 0.19310547500445 0.21918876569511 15.999 > 1 2 O 0.83418208112344 0.19310547500445 0.21918876569511 15.999 > 1 3 O 0.33418208112344 0.69310547500445 0.21918876569511 15.999 > 1 4 O 0.83418208112344 0.69310547500445 0.21918876569511 15.999 > 1 5 O 0.33418208112344 0.19310547500445 0.71918876569511 15.999 > 1 6 O 0.83418208112344 0.19310547500445 0.71918876569511 15.999 > 1 7 O 0.33418208112344 0.69310547500445 0.71918876569511 15.999 > 1 8 O 0.83418208112344 0.69310547500445 0.71918876569511 15.999 > 1 9 O 0.16581791887656 0.44310547500445 0.03081123430489 15.999 > 9 10 O 0.66581791887656 0.44310547500445 0.03081123430489 15.999 > 9 11 O 0.16581791887656 0.94310547500445 0.03081123430489 15.999 > 9 12 O 0.66581791887656 0.94310547500445 0.03081123430489 15.999 > 9 13 O 0.16581791887656 0.44310547500445 0.53081123430489 15.999 > 9 14 O 0.66581791887656 0.44310547500445 0.53081123430489 15.999 > 9 15 O 0.16581791887656 0.94310547500445 0.53081123430489 15.999 > 9 16 O 0.66581791887656 0.94310547500445 0.53081123430489 15.999 > 9 17 O 0.16581791887656 0.30689452499555 0.28081123430489 15.999 > 17 18 O 0.66581791887656 0.30689452499555 0.28081123430489 15.999 > 17 19 O 0.16581791887656 0.80689452499555 0.28081123430489 15.999 > 17 20 O 0.66581791887656 0.80689452499555 0.28081123430489 15.999 > 17 21 O 0.16581791887656 0.30689452499555 0.78081123430489 15.999 > 17 22 O 0.66581791887656 0.30689452499555 0.78081123430489 15.999 > 17 23 O 0.16581791887656 0.80689452499555 0.78081123430489 15.999 > 17 24 O 0.66581791887656 0.80689452499555 0.78081123430489 15.999 > 17 25 O 0.33418208112344 0.05689452499555 0.46918876569511 15.999 > 25 26 O 0.83418208112344 0.05689452499555 0.46918876569511 15.999 > 25 27 O 0.33418208112344 0.55689452499555 0.46918876569511 15.999 > 25 28 O 0.83418208112344 0.55689452499555 0.46918876569511 15.999 > 25 29 O 0.33418208112344 0.05689452499555 0.96918876569511 15.999 > 25 30 O 0.83418208112344 0.05689452499555 0.96918876569511 15.999 > 25 31 O 0.33418208112344 0.55689452499555 0.96918876569511 15.999 > 25 32 O 0.83418208112344 0.55689452499555 0.96918876569511 15.999 > 25 33 Cl 0.09625691000134 0.18159447890604 0.46715392866999 35.453 > 33 34 Cl 0.59625691000134 0.18159447890604 0.46715392866999 35.453 > 33 35 Cl 0.09625691000134 0.68159447890604 0.46715392866999 35.453 > 33 36 Cl 0.59625691000134 0.68159447890604 0.46715392866999 35.453 > 33 37 Cl 0.09625691000134 0.18159447890604 0.96715392866999 35.453 > 33 38 Cl 0.59625691000134 0.18159447890604 0.96715392866999 35.453 > 33 39 Cl 0.09625691000134 0.68159447890604 0.96715392866999 35.453 > 33 40 Cl 0.59625691000134 0.68159447890604 0.96715392866999 35.453 > 33 41 Cl 0.40374308999866 0.43159447890604 0.28284607133001 35.453 > 41 42 Cl 0.90374308999866 0.43159447890604 0.28284607133001 35.453 > 41 43 Cl 0.40374308999866 0.93159447890604 0.28284607133001 35.453 > 41 44 Cl 0.90374308999866 0.93159447890604 0.28284607133001 35.453 > 41 45 Cl 0.40374308999866 0.43159447890604 0.78284607133001 35.453 > 41 46 Cl 0.90374308999866 0.43159447890604 0.78284607133001 35.453 > 41 47 Cl 0.40374308999866 0.93159447890604 0.78284607133001 35.453 > 41 48 Cl 0.90374308999866 0.93159447890604 0.78284607133001 35.453 > 41 49 Cl 0.09625691000134 0.06840552109396 0.21715392866999 35.453 > 49 50 Cl 0.59625691000134 0.06840552109396 0.21715392866999 35.453 > 49 51 Cl 0.09625691000134 0.56840552109396 0.21715392866999 35.453 > 49 52 Cl 0.59625691000134 0.56840552109396 0.21715392866999 35.453 > 49 53 Cl 0.09625691000134 0.06840552109396 0.71715392866999 35.453 > 49 54 Cl 0.59625691000134 0.06840552109396 0.71715392866999 35.453 > 49 55 Cl 0.09625691000134 0.56840552109396 0.71715392866999 35.453 > 49 56 Cl 0.59625691000134 0.56840552109396 0.71715392866999 35.453 > 49 57 Cl 0.40374308999866 0.31840552109396 0.03284607133001 35.453 > 57 58 Cl 0.90374308999866 0.31840552109396 0.03284607133001 35.453 > 57 59 Cl 0.40374308999866 0.81840552109396 0.03284607133001 35.453 > 57 60 Cl 0.90374308999866 0.81840552109396 0.03284607133001 35.453 > 57 61 Cl 0.40374308999866 0.31840552109396 0.53284607133001 35.453 > 57 62 Cl 0.90374308999866 0.31840552109396 0.53284607133001 35.453 > 57 63 Cl 0.40374308999866 0.81840552109396 0.53284607133001 35.453 > 57 64 Cl 0.90374308999866 0.81840552109396 0.53284607133001 35.453 > 57 65 Cd 0.29406813092433 0.06212672121279 0.11677429560747 112.411 > 65 66 Cd 0.79406813092433 0.06212672121279 0.11677429560747 112.411 > 65 67 Cd 0.29406813092433 0.56212672121279 0.11677429560747 112.411 > 65 68 Cd 0.79406813092433 0.56212672121279 0.11677429560747 112.411 > 65 69 Cd 0.29406813092433 0.06212672121279 0.61677429560747 112.411 > 65 70 Cd 0.79406813092433 0.06212672121279 0.61677429560747 112.411 > 65 71 Cd 0.29406813092433 0.56212672121279 0.61677429560747 112.411 > 65 72 Cd 0.79406813092433 0.56212672121279 0.61677429560747 112.411 > 65 73 Cd 0.20593186907567 0.31212672121279 0.13322570439253 112.411 > 73 74 Cd 0.70593186907567 0.31212672121279 0.13322570439253 112.411 > 73 75 Cd 0.20593186907567 0.81212672121279 0.13322570439253 112.411 > 73 76 Cd 0.70593186907567 0.81212672121279 0.13322570439253 112.411 > 73 77 Cd 0.20593186907567 0.31212672121279 0.63322570439253 112.411 > 73 78 Cd 0.70593186907567 0.31212672121279 0.63322570439253 112.411 > 73 79 Cd 0.20593186907567 0.81212672121279 0.63322570439253 112.411 > 73 80 Cd 0.70593186907567 0.81212672121279 0.63322570439253 112.411 > 73 81 Cd 0.20593186907567 0.43787327878721 0.38322570439253 112.411 > 81 82 Cd 0.70593186907567 0.43787327878721 0.38322570439253 112.411 > 81 83 Cd 0.20593186907567 0.93787327878721 0.38322570439253 112.411 > 81 84 Cd 0.70593186907567 0.93787327878721 0.38322570439253 112.411 > 81 85 Cd 0.20593186907567 0.43787327878721 0.88322570439253 112.411 > 81 86 Cd 0.70593186907567 0.43787327878721 0.88322570439253 112.411 > 81 87 Cd 0.20593186907567 0.93787327878721 0.88322570439253 112.411 > 81 88 Cd 0.70593186907567 0.93787327878721 0.88322570439253 112.411 > 81 89 Cd 0.29406813092433 0.18787327878721 0.36677429560747 112.411 > 89 90 Cd 0.79406813092433 0.18787327878721 0.36677429560747 112.411 > 89 91 Cd 0.29406813092433 0.68787327878721 0.36677429560747 112.411 > 89 92 Cd 0.79406813092433 0.68787327878721 0.36677429560747 112.411 > 89 93 Cd 0.29406813092433 0.18787327878721 0.86677429560747 112.411 > 89 94 Cd 0.79406813092433 0.18787327878721 0.86677429560747 112.411 > 89 95 Cd 0.29406813092433 0.68787327878721 0.86677429560747 112.411 > 89 96 Cd 0.79406813092433 0.68787327878721 0.86677429560747 112.411 > 89 97 Cd 0.00000000000000 0.25000000000000 0.25000000000000 112.411 > 97 98 Cd 0.50000000000000 0.25000000000000 0.25000000000000 112.411 > 97 99 Cd 0.00000000000000 0.75000000000000 0.25000000000000 112.411 > 97 100 Cd 0.50000000000000 0.75000000000000 0.25000000000000 112.411 > 97 101 Cd 0.00000000000000 0.25000000000000 0.75000000000000 112.411 > 97 102 Cd 0.50000000000000 0.25000000000000 0.75000000000000 112.411 > 97 103 Cd 0.00000000000000 0.75000000000000 0.75000000000000 112.411 > 97 104 Cd 0.50000000000000 0.75000000000000 0.75000000000000 112.411 > 97 105 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 105 106 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 105 107 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 105 108 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 105 109 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 105 110 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 105 111 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 105 112 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9136294 0.0000000 -0.0358487 0.0000000 4.9217163 0.0000000 -0.0358486 0.0000000 4.9807785 -------------------------- Born effective charges -------------------------- 1 O -2.1778324 0.0850236 0.1219608 -0.0160928 -2.0658756 -0.1350931 0.0883793 -0.1647386 -1.9494238 2 O -2.1778324 -0.0850236 0.1219608 0.0160928 -2.0658756 0.1350931 0.0883793 0.1647386 -1.9494238 3 O -2.1778324 0.0850236 0.1219608 -0.0160928 -2.0658756 -0.1350931 0.0883793 -0.1647386 -1.9494238 4 O -2.1778324 -0.0850236 0.1219608 0.0160928 -2.0658756 0.1350931 0.0883793 0.1647386 -1.9494238 5 Cl -1.2410069 -0.2108168 -0.1911436 -0.1688649 -1.5195775 0.0282370 -0.1465143 0.1143786 -1.6894407 6 Cl -1.2410069 0.2108168 -0.1911436 0.1688649 -1.5195775 -0.0282370 -0.1465143 -0.1143786 -1.6894407 7 Cl -1.2410069 0.2108168 -0.1911436 0.1688649 -1.5195775 -0.0282370 -0.1465143 -0.1143786 -1.6894407 8 Cl -1.2410069 -0.2108168 -0.1911436 -0.1688649 -1.5195775 0.0282370 -0.1465143 0.1143786 -1.6894407 9 Cd 2.1228167 0.0259751 -0.0528650 0.0006195 2.4719477 0.0911659 -0.0432315 0.0585855 2.4863825 10 Cd 2.1228167 -0.0259751 -0.0528650 -0.0006195 2.4719477 -0.0911659 -0.0432315 -0.0585855 2.4863825 11 Cd 2.1228167 0.0259751 -0.0528650 0.0006195 2.4719477 0.0911659 -0.0432315 0.0585855 2.4863825 12 Cd 2.1228167 -0.0259751 -0.0528650 -0.0006195 2.4719477 -0.0911659 -0.0432315 -0.0585855 2.4863825 13 Cd 2.5920454 -0.0364975 0.2440957 -0.0041879 2.2270107 -0.2294762 0.2027330 -0.2181450 2.3049640 14 Cd 2.5920454 0.0364975 0.2440957 0.0041879 2.2270107 0.2294762 0.2027330 0.2181450 2.3049640 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 301, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/148) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.027 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.776 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.419 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.341 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.946 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 6.038 ( 0.000 0.000 0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 10.648 ( 0.000 0.000 0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.380 ( 0.000 0.000 0.000) 0.000 12.258 ( 0.000 0.000 0.000) 0.000 13.455 ( 0.000 0.000 0.000) 0.000 13.827 ( 0.000 0.000 0.000) 0.000 13.936 ( 0.000 0.000 0.000) 0.000 14.394 ( 0.000 0.000 0.000) 0.000 14.531 ( 0.000 0.000 0.000) 0.000 14.842 ( 0.000 0.000 0.000) 0.000 15.242 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/148) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 13.917 0.000 13.869) 19.648 0.369 ( 16.813 0.000 8.630) 18.898 0.766 ( 33.386 0.000 17.447) 37.670 1.124 ( 9.080 0.000 0.989) 9.133 1.594 ( -1.674 0.000 0.720) 1.822 1.765 ( -0.048 0.000 -4.187) 4.187 1.784 ( -3.370 0.000 4.399) 5.542 2.058 ( 7.921 0.000 -4.525) 9.122 2.123 ( -5.313 0.000 -4.520) 6.976 2.582 ( -0.612 0.000 -6.496) 6.524 2.738 ( -3.901 0.000 -2.573) 4.673 2.755 ( 21.708 0.000 -30.392) 37.349 2.897 ( 3.297 0.000 7.828) 8.494 2.943 ( -3.979 0.000 0.850) 4.069 3.413 ( 0.456 0.000 -2.219) 2.265 3.423 ( 4.581 0.000 5.008) 6.787 3.578 ( -3.245 0.000 4.994) 5.956 3.635 ( -1.448 0.000 1.097) 1.816 3.692 ( 5.549 0.000 0.040) 5.549 4.210 ( -4.900 0.000 -2.884) 5.685 4.283 ( 4.260 0.000 5.292) 6.793 4.383 ( 1.049 0.000 3.255) 3.420 4.505 ( 4.406 0.000 -13.416) 14.121 4.766 ( 0.112 0.000 2.369) 2.371 4.802 ( -10.884 0.000 -6.243) 12.547 5.201 ( 5.358 0.000 9.740) 11.116 5.533 ( -2.477 0.000 -1.948) 3.151 5.694 ( -5.943 0.000 -5.355) 8.000 5.776 ( -34.112 0.000 65.597) 73.937 6.188 ( 10.820 0.000 5.777) 12.266 9.860 ( 2.671 0.000 0.086) 2.673 10.663 ( 1.691 0.000 0.198) 1.703 11.369 ( -1.626 0.000 0.764) 1.797 11.444 ( -14.076 0.000 23.961) 27.789 12.617 ( 14.055 0.000 -41.957) 44.248 13.404 ( -5.816 0.000 0.762) 5.866 13.928 ( 9.177 0.000 3.713) 9.899 13.946 ( 1.605 0.000 -1.042) 1.914 14.384 ( -1.296 0.000 0.830) 1.538 14.548 ( 1.584 0.000 0.923) 1.834 14.900 ( 5.858 0.000 0.438) 5.875 16.121 ( -2.124 0.000 -5.916) 6.285 ======================= Grid point 2 (3/148) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 12.526 0.000 13.584) 18.477 0.724 ( 15.590 0.000 8.723) 17.865 1.285 ( 5.559 0.000 3.665) 6.659 1.323 ( 11.309 0.000 6.278) 12.935 1.568 ( 1.435 0.000 -3.116) 3.430 1.794 ( 0.836 0.000 2.998) 3.113 1.824 ( 9.926 0.000 7.823) 12.638 1.992 ( -2.910 0.000 -6.240) 6.885 2.170 ( 10.087 0.000 -8.009) 12.880 2.474 ( -3.949 0.000 -8.562) 9.429 2.675 ( -0.523 0.000 -0.844) 0.993 2.838 ( 10.829 0.000 -15.007) 18.506 2.874 ( -5.129 0.000 2.348) 5.640 3.093 ( 8.428 0.000 9.678) 12.833 3.403 ( 1.637 0.000 -3.898) 4.227 3.545 ( 4.378 0.000 4.106) 6.002 3.570 ( -3.035 0.000 6.090) 6.804 3.614 ( -2.157 0.000 1.468) 2.609 3.792 ( 5.280 0.000 0.683) 5.324 4.102 ( -4.677 0.000 -2.000) 5.087 4.418 ( -0.602 0.000 3.945) 3.991 4.442 ( 2.937 0.000 0.931) 3.081 4.484 ( 6.110 0.000 2.985) 6.800 4.497 ( -16.329 0.000 -8.352) 18.341 4.788 ( -0.368 0.000 3.033) 3.055 5.374 ( 4.899 0.000 8.617) 9.912 5.482 ( -12.169 0.000 -6.952) 14.014 5.548 ( 2.997 0.000 4.221) 5.177 5.711 ( -18.241 0.000 27.108) 32.674 6.431 ( 10.842 0.000 5.299) 12.068 9.925 ( 4.440 0.000 0.145) 4.442 10.707 ( 2.949 0.000 0.387) 2.974 11.337 ( -2.914 0.000 1.049) 3.097 11.385 ( -8.913 0.000 9.838) 13.275 12.488 ( 0.865 0.000 -18.252) 18.272 13.287 ( -7.752 0.000 0.692) 7.783 13.970 ( 2.095 0.000 -1.188) 2.408 14.172 ( 13.379 0.000 5.298) 14.390 14.371 ( -1.390 0.000 1.737) 2.224 14.602 ( 2.954 0.000 2.873) 4.120 15.026 ( 7.534 0.000 0.275) 7.539 15.994 ( -6.827 0.000 -5.824) 8.974 ======================= Grid point 3 (4/148) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 9.128 0.000 12.986) 15.873 1.048 ( 13.426 0.000 7.777) 15.516 1.342 ( -1.180 0.000 -3.838) 4.015 1.366 ( 0.025 0.000 5.226) 5.226 1.564 ( 0.002 0.000 -2.413) 2.413 1.808 ( -7.366 0.000 -4.497) 8.630 1.827 ( 0.514 0.000 -0.527) 0.737 2.223 ( 4.132 0.000 -10.659) 11.431 2.300 ( 21.836 0.000 11.157) 24.521 2.348 ( -2.637 0.000 -5.175) 5.808 2.687 ( -1.465 0.000 1.385) 2.016 2.867 ( 5.201 0.000 3.212) 6.112 2.889 ( 5.345 0.000 -7.131) 8.912 3.277 ( 6.134 0.000 1.001) 6.215 3.425 ( 4.686 0.000 -3.361) 5.767 3.579 ( -1.989 0.000 6.770) 7.056 3.580 ( -2.416 0.000 1.528) 2.859 3.640 ( 3.113 0.000 1.367) 3.400 3.898 ( 5.463 0.000 4.664) 7.183 4.027 ( -3.268 0.000 0.569) 3.317 4.130 ( -16.531 0.000 -8.829) 18.742 4.405 ( -2.178 0.000 -1.908) 2.896 4.431 ( -1.188 0.000 2.928) 3.160 4.725 ( 9.511 0.000 5.550) 11.012 4.806 ( 0.605 0.000 4.088) 4.132 5.183 ( -14.237 0.000 -6.347) 15.588 5.500 ( 3.305 0.000 4.670) 5.721 5.597 ( -13.364 0.000 11.137) 17.396 5.669 ( 4.034 0.000 6.851) 7.950 6.633 ( 7.746 0.000 3.555) 8.523 10.006 ( 4.376 0.000 0.147) 4.379 10.766 ( 3.164 0.000 0.456) 3.197 11.290 ( -3.202 0.000 0.766) 3.292 11.310 ( -6.263 0.000 4.450) 7.683 12.361 ( -1.851 0.000 -8.873) 9.064 13.167 ( -6.089 0.000 0.332) 6.098 13.995 ( 1.721 0.000 -0.805) 1.900 14.365 ( -1.080 0.000 1.798) 2.097 14.420 ( 9.508 0.000 1.957) 9.708 14.725 ( 7.315 0.000 7.613) 10.558 15.147 ( 5.821 0.000 0.013) 5.821 15.794 ( -9.711 0.000 -6.849) 11.883 ======================= Grid point 4 (5/148) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.338 0.000 4.770) 4.782 1.296 ( 8.566 0.000 3.515) 9.259 1.382 ( 8.926 0.000 0.393) 8.934 1.383 ( -2.381 0.000 3.213) 3.999 1.535 ( -3.259 0.000 0.931) 3.389 1.636 ( -5.872 0.000 -5.914) 8.335 1.793 ( -1.879 0.000 -2.196) 2.890 2.186 ( 0.138 0.000 -3.435) 3.438 2.294 ( -0.261 0.000 -2.713) 2.725 2.645 ( -2.357 0.000 0.630) 2.440 2.671 ( 10.444 0.000 6.914) 12.525 2.884 ( -0.880 0.000 -3.694) 3.798 3.062 ( 9.394 0.000 2.630) 9.755 3.345 ( 3.149 0.000 -1.970) 3.715 3.470 ( 2.056 0.000 -1.609) 2.610 3.546 ( -2.489 0.000 0.745) 2.598 3.600 ( -0.627 0.000 2.218) 2.305 3.685 ( 1.553 0.000 -0.350) 1.592 3.821 ( -10.070 0.000 -3.539) 10.674 4.000 ( -0.609 0.000 -0.192) 0.639 4.086 ( 8.629 0.000 8.129) 11.855 4.331 ( -5.412 0.000 -1.516) 5.620 4.431 ( -0.633 0.000 1.101) 1.270 4.731 ( -2.745 0.000 -5.399) 6.056 4.873 ( -2.067 0.000 -0.833) 2.228 5.067 ( 3.954 0.000 5.612) 6.865 5.450 ( -8.206 0.000 1.640) 8.369 5.567 ( 1.243 0.000 1.618) 2.041 5.764 ( 1.605 0.000 2.901) 3.315 6.747 ( 2.835 0.000 1.269) 3.106 10.065 ( 1.895 0.000 0.064) 1.896 10.813 ( 1.510 0.000 0.224) 1.527 11.250 ( -1.544 0.000 0.247) 1.563 11.256 ( -2.412 0.000 1.294) 2.737 12.286 ( -0.965 0.000 -2.716) 2.883 13.094 ( -2.271 0.000 0.082) 2.272 14.012 ( 0.678 0.000 -0.276) 0.732 14.363 ( -0.431 0.000 0.761) 0.875 14.519 ( 2.262 0.000 -0.128) 2.266 14.947 ( 7.668 0.000 6.379) 9.975 15.217 ( 2.156 0.000 -0.037) 2.157 15.576 ( -7.319 0.000 -5.107) 8.925 ======================= Grid point 9 (6/148) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 0.000 19.326 0.000) 19.326 0.433 ( 0.000 20.370 0.000) 20.370 0.923 ( 0.000 40.463 0.000) 40.463 1.054 ( 0.000 0.615 0.000) 0.615 1.591 ( 0.000 -8.786 0.000) 8.786 1.666 ( 0.000 4.916 0.000) 4.916 1.979 ( 0.000 -2.571 0.000) 2.571 1.998 ( 0.000 9.476 0.000) 9.476 2.009 ( 0.000 3.092 0.000) 3.092 2.174 ( 0.000 -1.865 0.000) 1.865 2.584 ( 0.000 -3.886 0.000) 3.886 2.815 ( 0.000 -2.128 0.000) 2.128 2.862 ( 0.000 -7.801 0.000) 7.801 3.054 ( 0.000 0.726 0.000) 0.726 3.214 ( 0.000 -10.570 0.000) 10.570 3.543 ( 0.000 8.150 0.000) 8.150 3.638 ( 0.000 3.446 0.000) 3.446 3.659 ( 0.000 0.603 0.000) 0.603 3.685 ( 0.000 3.341 0.000) 3.341 4.231 ( 0.000 0.546 0.000) 0.546 4.339 ( 0.000 4.910 0.000) 4.910 4.397 ( 0.000 6.521 0.000) 6.521 4.706 ( 0.000 -0.605 0.000) 0.605 4.813 ( 0.000 -8.508 0.000) 8.508 5.008 ( 0.000 7.280 0.000) 7.280 5.150 ( 0.000 2.641 0.000) 2.641 5.577 ( 0.000 -13.310 0.000) 13.310 5.580 ( 0.000 1.764 0.000) 1.764 5.707 ( 0.000 -4.160 0.000) 4.160 6.108 ( 0.000 2.865 0.000) 2.865 9.866 ( 0.000 2.749 0.000) 2.749 10.581 ( 0.000 -5.793 0.000) 5.793 11.374 ( 0.000 3.217 0.000) 3.217 11.787 ( 0.000 -1.750 0.000) 1.750 12.354 ( 0.000 8.658 0.000) 8.658 13.692 ( 0.000 -6.460 0.000) 6.460 13.848 ( 0.000 1.463 0.000) 1.463 13.946 ( 0.000 0.855 0.000) 0.855 14.408 ( 0.000 1.322 0.000) 1.322 14.542 ( 0.000 0.926 0.000) 0.926 15.255 ( 0.000 1.264 0.000) 1.264 15.614 ( 0.000 -2.084 0.000) 2.084 ======================= Grid point 10 (7/148) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 10.625 14.486 6.371) 19.062 0.561 ( 9.155 14.175 8.404) 18.851 1.110 ( 8.292 1.888 2.853) 8.970 1.171 ( 16.934 26.455 6.904) 32.161 1.579 ( -1.452 -5.798 1.223) 6.101 1.697 ( 3.760 5.146 1.418) 6.529 1.907 ( -5.616 3.704 2.584) 7.207 2.070 ( 1.110 -0.187 -4.581) 4.718 2.090 ( 5.017 0.869 -3.103) 5.962 2.316 ( 15.958 -9.527 -2.110) 18.705 2.550 ( -0.743 -3.768 -5.272) 6.522 2.796 ( -3.322 -6.318 -3.744) 8.060 2.857 ( 2.576 -3.051 0.841) 4.081 3.072 ( 2.369 3.572 1.868) 4.676 3.277 ( 3.791 -9.623 3.182) 10.822 3.511 ( -0.170 6.518 -4.154) 7.731 3.611 ( -4.904 3.024 6.929) 9.012 3.671 ( -1.394 2.816 1.165) 3.351 3.719 ( 4.290 1.497 0.911) 4.634 4.278 ( 2.878 0.749 5.919) 6.624 4.338 ( -3.673 7.107 -0.373) 8.008 4.416 ( 3.250 3.076 0.646) 4.521 4.672 ( -4.895 2.157 -2.553) 5.927 4.701 ( -1.713 3.844 -13.016) 13.679 4.985 ( -7.709 7.789 -0.968) 11.002 5.119 ( 3.671 -3.678 8.353) 9.837 5.462 ( -2.718 -6.913 -4.091) 8.480 5.629 ( -1.566 -2.878 -0.889) 3.395 5.741 ( -15.621 -3.161 33.594) 37.183 6.194 ( 7.690 -0.494 3.050) 8.287 9.889 ( 2.577 2.670 0.088) 3.711 10.595 ( 1.523 -5.917 0.095) 6.110 11.373 ( -1.389 2.430 1.998) 3.439 11.599 ( -16.658 6.158 10.737) 20.753 12.484 ( 12.640 -1.502 -16.021) 20.462 13.468 ( -13.688 -1.288 -2.652) 14.002 13.939 ( 8.521 1.234 3.625) 9.342 14.030 ( 3.676 3.374 0.188) 4.993 14.450 ( 2.530 3.478 -2.605) 5.028 14.549 ( 1.726 0.644 -0.332) 1.872 15.021 ( -4.874 8.199 -2.920) 9.975 15.866 ( 7.449 -13.966 1.967) 15.950 ======================= Grid point 11 (8/148) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 9.767 9.174 12.189) 18.114 0.842 ( 14.146 8.741 6.735) 17.941 1.261 ( 5.715 -1.703 2.547) 6.485 1.460 ( 6.781 8.218 2.442) 10.931 1.576 ( 0.308 1.846 -0.601) 1.966 1.828 ( -2.166 3.198 2.937) 4.852 1.905 ( 6.105 7.159 9.501) 13.372 1.988 ( 4.128 1.738 -5.049) 6.750 2.199 ( 9.676 2.053 -7.971) 12.703 2.438 ( 0.677 -4.363 -5.974) 7.428 2.524 ( 5.546 -6.774 -3.621) 9.474 2.736 ( -1.997 -5.834 0.053) 6.167 2.880 ( 1.357 -2.930 -2.445) 4.050 3.191 ( 7.256 4.118 4.106) 9.299 3.349 ( 3.908 -5.578 -2.696) 7.325 3.505 ( 0.162 -0.056 2.667) 2.672 3.598 ( -3.345 1.319 7.053) 7.917 3.647 ( -2.395 2.993 1.501) 4.116 3.804 ( 4.077 1.163 1.249) 4.419 4.236 ( -4.388 8.693 -3.682) 10.410 4.392 ( -3.929 -1.778 1.006) 4.429 4.450 ( 1.874 2.710 5.355) 6.287 4.546 ( -1.361 8.035 -3.816) 8.999 4.597 ( -2.006 5.130 -2.133) 5.906 4.878 ( -4.290 5.586 2.253) 7.395 5.282 ( 3.795 -7.091 9.647) 12.560 5.403 ( -4.842 -5.070 -3.692) 7.923 5.555 ( -2.319 0.173 1.976) 3.052 5.718 ( -12.769 -0.409 20.722) 24.344 6.380 ( 9.250 -4.803 3.845) 11.109 9.951 ( 4.304 2.468 0.133) 4.964 10.633 ( 2.598 -6.296 0.167) 6.813 11.353 ( -2.651 1.962 1.632) 3.680 11.450 ( -10.182 4.201 7.478) 13.313 12.476 ( 1.861 0.653 -12.193) 12.351 13.259 ( -9.513 -3.086 -0.047) 10.002 14.057 ( 1.970 5.614 -0.740) 5.995 14.185 ( 12.684 1.201 4.857) 13.635 14.426 ( -2.049 4.965 -0.630) 5.408 14.607 ( 3.607 0.475 2.147) 4.224 15.045 ( 5.635 1.973 0.118) 5.972 15.875 ( -3.476 -9.367 -3.527) 10.595 ======================= Grid point 12 (9/148) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 7.845 5.414 12.381) 15.625 1.130 ( 12.318 5.574 5.706) 14.675 1.357 ( 3.387 1.757 3.953) 5.494 1.510 ( 0.724 4.964 -0.881) 5.094 1.544 ( -2.520 5.873 -2.524) 6.871 1.784 ( -5.815 -1.213 -1.957) 6.255 1.842 ( -1.683 1.106 -1.732) 2.657 2.214 ( 2.686 -1.161 -9.021) 9.484 2.355 ( 12.702 3.844 5.092) 14.214 2.378 ( 3.371 3.191 -1.548) 4.893 2.660 ( 4.148 -1.993 0.982) 4.706 2.716 ( 5.250 -8.134 1.612) 9.815 2.892 ( 2.139 -2.987 -1.526) 3.978 3.319 ( 4.983 1.079 -1.534) 5.324 3.374 ( 1.925 -4.756 -5.186) 7.295 3.541 ( -0.441 -1.813 6.352) 6.621 3.607 ( -0.368 -0.888 0.534) 1.100 3.629 ( -1.135 1.434 3.822) 4.237 3.889 ( 3.833 1.015 3.560) 5.329 4.152 ( -2.821 5.899 -5.064) 8.270 4.182 ( -11.311 8.642 0.813) 14.258 4.457 ( -3.102 5.629 -4.123) 7.636 4.528 ( 0.476 6.377 3.678) 7.377 4.741 ( 9.159 0.690 6.718) 11.380 4.857 ( -1.526 4.022 3.804) 5.742 5.152 ( -12.217 -1.225 -8.121) 14.721 5.420 ( -0.022 -6.573 7.582) 10.034 5.583 ( -2.841 -0.657 5.962) 6.637 5.690 ( -2.438 0.586 8.824) 9.174 6.553 ( 6.902 -7.443 2.749) 10.516 10.030 ( 4.212 2.198 0.121) 4.753 10.682 ( 2.640 -6.906 0.181) 7.396 11.309 ( -3.386 1.684 0.776) 3.860 11.360 ( -5.975 3.571 4.403) 8.237 12.393 ( -1.371 3.098 -6.927) 7.711 13.125 ( -6.145 -3.863 0.239) 7.263 14.076 ( 1.342 6.610 -1.014) 6.821 14.393 ( -1.766 2.679 1.308) 3.465 14.424 ( 9.389 0.416 1.827) 9.574 14.724 ( 6.595 -0.091 6.599) 9.330 15.151 ( 5.603 0.569 0.066) 5.632 15.731 ( -7.773 -5.400 -5.734) 11.066 ======================= Grid point 13 (10/148) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 3.414 5.191 6.890) 9.277 1.344 ( 6.095 1.521 3.222) 7.060 1.438 ( 0.842 5.858 3.300) 6.776 1.487 ( 2.724 9.785 -4.653) 11.172 1.529 ( 1.417 -0.614 1.478) 2.138 1.622 ( -8.826 1.505 -2.544) 9.308 1.810 ( -1.063 1.929 -2.321) 3.200 2.174 ( 0.019 -1.028 -2.792) 2.976 2.309 ( -0.775 1.455 -3.430) 3.805 2.627 ( -2.178 -1.610 0.495) 2.753 2.670 ( 9.136 -0.516 5.917) 10.897 2.845 ( 0.851 -3.180 -3.795) 5.024 3.010 ( 10.559 -4.608 6.303) 13.132 3.277 ( -6.893 -9.775 -5.511) 13.169 3.366 ( 1.815 -1.526 -1.134) 2.628 3.583 ( 1.888 -0.441 -0.240) 1.953 3.601 ( -0.481 2.673 0.571) 2.776 3.653 ( 0.482 -3.870 1.217) 4.086 3.918 ( -3.254 4.099 -1.974) 5.593 4.053 ( -0.939 8.096 4.028) 9.091 4.195 ( 4.928 8.652 4.667) 10.997 4.355 ( -5.000 6.067 -4.303) 8.963 4.593 ( 3.540 7.160 5.603) 9.757 4.776 ( -8.212 6.516 -8.806) 13.691 4.842 ( -0.521 -2.316 0.230) 2.385 5.052 ( 4.297 -1.135 4.996) 6.687 5.396 ( -5.449 -4.449 1.660) 7.228 5.581 ( -0.201 0.802 1.827) 2.006 5.746 ( 0.966 -1.680 2.942) 3.523 6.653 ( 2.551 -8.758 0.999) 9.176 10.086 ( 1.809 1.962 0.050) 2.669 10.718 ( 1.168 -7.491 0.080) 7.582 11.266 ( -1.645 1.422 0.335) 2.200 11.314 ( -2.045 4.056 1.341) 4.736 12.333 ( -0.805 4.182 -2.221) 4.803 13.053 ( -2.192 -3.788 0.076) 4.377 14.087 ( 0.548 6.674 -0.424) 6.710 14.380 ( -0.714 1.595 0.713) 1.888 14.526 ( 2.400 0.523 -0.177) 2.463 14.916 ( 6.353 -2.745 5.488) 8.832 15.223 ( 2.279 0.548 0.095) 2.346 15.551 ( -5.969 -2.254 -4.327) 7.709 ======================= Grid point 18 (11/148) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 0.000 15.879 0.000) 15.879 0.865 ( 0.000 20.165 0.000) 20.165 1.036 ( 0.000 -0.259 0.000) 0.259 1.432 ( 0.000 -5.482 0.000) 5.482 1.628 ( 0.000 10.382 0.000) 10.382 1.831 ( 0.000 18.604 0.000) 18.604 1.878 ( 0.000 -5.149 0.000) 5.149 2.089 ( 0.000 4.204 0.000) 4.204 2.179 ( 0.000 2.972 0.000) 2.972 2.188 ( 0.000 7.877 0.000) 7.877 2.484 ( 0.000 -4.193 0.000) 4.193 2.723 ( 0.000 -2.800 0.000) 2.800 2.773 ( 0.000 -1.215 0.000) 1.215 2.953 ( 0.000 -13.329 0.000) 13.329 3.077 ( 0.000 -0.539 0.000) 0.539 3.598 ( 0.000 -7.276 0.000) 7.276 3.668 ( 0.000 3.484 0.000) 3.484 3.743 ( 0.000 1.832 0.000) 1.832 3.765 ( 0.000 9.124 0.000) 9.124 4.262 ( 0.000 2.825 0.000) 2.825 4.475 ( 0.000 5.181 0.000) 5.181 4.518 ( 0.000 0.355 0.000) 0.355 4.692 ( 0.000 1.610 0.000) 1.610 4.752 ( 0.000 3.511 0.000) 3.511 5.059 ( 0.000 -10.829 0.000) 10.829 5.145 ( 0.000 5.370 0.000) 5.370 5.390 ( 0.000 -2.141 0.000) 2.141 5.578 ( 0.000 -7.854 0.000) 7.854 5.650 ( 0.000 5.094 0.000) 5.094 6.103 ( 0.000 -3.407 0.000) 3.407 9.951 ( 0.000 5.232 0.000) 5.232 10.427 ( 0.000 -8.165 0.000) 8.165 11.460 ( 0.000 4.580 0.000) 4.580 11.734 ( 0.000 -3.171 0.000) 3.171 12.600 ( 0.000 13.827 0.000) 13.827 13.505 ( 0.000 -11.028 0.000) 11.028 13.884 ( 0.000 1.845 0.000) 1.845 13.961 ( 0.000 0.288 0.000) 0.288 14.452 ( 0.000 2.754 0.000) 2.754 14.560 ( 0.000 0.558 0.000) 0.558 15.296 ( 0.000 2.596 0.000) 2.596 15.550 ( 0.000 -3.830 0.000) 3.830 ======================= Grid point 19 (12/148) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 5.379 12.508 0.852) 13.642 0.919 ( 4.388 17.448 4.557) 18.560 1.101 ( 5.808 -0.040 1.170) 5.925 1.433 ( 0.611 -3.473 2.009) 4.058 1.651 ( 0.523 5.302 2.520) 5.894 1.883 ( -0.552 -5.394 2.058) 5.799 1.961 ( 11.120 20.852 4.742) 24.102 2.091 ( -2.568 3.478 -0.697) 4.380 2.170 ( 0.477 2.349 1.147) 2.657 2.249 ( 8.011 4.023 -4.525) 10.042 2.476 ( 0.934 -2.467 -1.687) 3.132 2.664 ( -3.298 -4.019 -2.866) 5.937 2.800 ( 2.614 -1.307 -0.956) 3.075 3.032 ( 5.712 -10.186 3.436) 12.174 3.116 ( 3.620 -2.208 0.839) 4.322 3.564 ( -1.503 -3.889 -3.383) 5.369 3.679 ( -1.756 2.221 2.715) 3.923 3.724 ( -0.888 2.294 -0.069) 2.461 3.785 ( -0.100 7.318 5.531) 9.174 4.299 ( 2.344 1.928 3.693) 4.780 4.491 ( -2.947 3.414 0.854) 4.590 4.518 ( 1.270 6.212 2.617) 6.859 4.689 ( 1.413 -1.940 -2.062) 3.164 4.758 ( -0.323 5.359 0.587) 5.401 4.996 ( -7.538 -7.557 2.608) 10.988 5.109 ( -2.666 1.751 -1.624) 3.579 5.355 ( 2.417 0.081 -4.014) 4.686 5.639 ( -1.694 1.805 0.918) 2.641 5.641 ( -4.962 -4.254 16.035) 17.316 6.136 ( 3.822 -5.247 0.081) 6.492 9.972 ( 2.322 5.095 0.063) 5.600 10.439 ( 1.386 -8.160 0.022) 8.277 11.447 ( -2.083 4.083 1.223) 4.744 11.652 ( -9.656 -0.419 3.742) 10.364 12.596 ( 1.274 10.182 -4.543) 11.222 13.355 ( -12.230 -8.427 -1.144) 14.896 13.973 ( 8.156 1.847 3.111) 8.922 14.064 ( 6.794 0.232 1.965) 7.076 14.504 ( 5.758 2.226 -1.835) 6.441 14.575 ( 2.075 1.215 -1.406) 2.785 15.180 ( -6.400 6.731 -2.823) 9.708 15.634 ( 3.867 -8.743 2.093) 9.786 ======================= Grid point 20 (13/148) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 8.419 6.200 4.271) 11.294 1.078 ( 5.663 13.067 9.294) 17.006 1.215 ( 7.004 -2.416 0.332) 7.417 1.508 ( 4.527 1.729 0.947) 4.937 1.690 ( 1.575 1.811 4.938) 5.490 1.878 ( -2.749 0.496 2.757) 3.925 1.995 ( -5.203 3.952 -3.854) 7.585 2.144 ( 5.347 4.785 -0.019) 7.175 2.309 ( 9.709 -1.857 2.752) 10.261 2.318 ( 7.208 9.651 -2.914) 12.393 2.499 ( 3.355 1.507 -3.138) 4.835 2.611 ( -0.701 -4.140 0.324) 4.212 2.823 ( 1.352 -0.844 -2.030) 2.581 3.169 ( 6.755 -8.033 1.434) 10.593 3.192 ( 4.487 -5.463 -1.017) 7.142 3.505 ( -1.615 -2.472 -3.354) 4.469 3.650 ( -3.722 3.107 3.115) 5.763 3.709 ( -2.727 2.061 3.254) 4.720 3.856 ( 2.379 5.398 5.786) 8.263 4.329 ( -2.818 1.669 -0.860) 3.386 4.501 ( 2.608 7.508 5.507) 9.669 4.526 ( -2.353 4.366 2.012) 5.352 4.690 ( 0.374 3.831 -2.616) 4.654 4.718 ( -2.490 6.714 -2.659) 7.638 4.888 ( -6.912 -5.046 5.584) 10.218 5.131 ( 2.786 -6.632 6.802) 9.900 5.391 ( 1.604 5.110 -2.599) 5.953 5.566 ( -4.307 1.920 0.516) 4.744 5.675 ( -7.060 -3.497 15.430) 17.325 6.228 ( 5.790 -9.499 0.604) 11.141 10.028 ( 3.877 4.705 0.087) 6.097 10.473 ( 2.319 -8.168 -0.010) 8.491 11.410 ( -3.449 3.036 1.554) 4.850 11.514 ( -9.294 1.471 4.541) 10.448 12.559 ( -0.811 6.981 -5.068) 8.665 13.149 ( -10.039 -7.178 -0.305) 12.345 14.142 ( 5.603 2.618 1.846) 6.454 14.215 ( 10.132 1.150 3.763) 10.869 14.545 ( -0.128 5.076 -2.915) 5.855 14.623 ( 4.370 1.012 0.707) 4.541 15.120 ( 1.299 5.267 -0.325) 5.435 15.661 ( -1.145 -10.115 -1.232) 10.253 ======================= Grid point 21 (14/148) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 7.916 2.538 6.388) 10.484 1.215 ( 2.628 2.745 7.648) 8.540 1.385 ( 10.038 1.251 1.127) 10.178 1.534 ( -1.541 3.821 1.257) 4.308 1.765 ( -1.518 -0.329 0.369) 1.596 1.850 ( 0.685 13.793 2.414) 14.020 1.893 ( -2.359 4.057 -1.703) 4.992 2.187 ( 1.434 0.107 -6.644) 6.798 2.391 ( 9.270 -3.467 2.065) 10.110 2.427 ( -0.369 1.886 -4.044) 4.478 2.590 ( 1.899 -3.663 1.045) 4.256 2.675 ( 9.046 4.303 4.300) 10.902 2.820 ( 0.222 -2.106 -0.867) 2.288 3.201 ( -1.850 -9.346 -4.176) 10.403 3.281 ( 6.629 -5.422 -3.528) 9.262 3.474 ( -0.727 -3.964 1.853) 4.435 3.617 ( -1.153 2.223 -0.129) 2.508 3.686 ( -2.918 2.020 2.915) 4.593 3.951 ( 2.462 5.244 5.413) 7.928 4.275 ( -1.836 5.066 1.917) 5.719 4.406 ( -7.155 9.664 -1.219) 12.086 4.598 ( 0.752 6.974 -2.693) 7.514 4.672 ( -1.208 7.048 1.141) 7.241 4.728 ( 3.331 -2.994 3.253) 5.535 4.879 ( -0.352 -0.941 8.883) 8.940 5.225 ( -0.499 -1.415 -0.397) 1.552 5.298 ( -4.375 5.466 -1.685) 7.201 5.571 ( -0.382 -0.390 5.482) 5.509 5.675 ( -3.993 -1.884 9.130) 10.142 6.327 ( 4.646 -13.510 0.545) 14.297 10.098 ( 3.746 4.188 0.055) 5.619 10.514 ( 2.270 -8.232 -0.055) 8.539 11.353 ( -4.062 2.297 1.002) 4.773 11.421 ( -5.344 1.729 3.618) 6.681 12.497 ( -1.735 6.569 -3.495) 7.640 13.009 ( -6.004 -6.864 0.049) 9.119 14.221 ( 3.459 6.069 0.137) 6.987 14.419 ( 7.903 -0.477 2.120) 8.196 14.493 ( -2.443 5.835 -0.777) 6.373 14.720 ( 4.664 -0.408 4.161) 6.264 15.181 ( 4.489 2.598 0.108) 5.188 15.588 ( -4.293 -7.607 -3.563) 9.434 ======================= Grid point 22 (15/148) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 3.537 -0.043 3.464) 4.951 1.351 ( 3.574 -0.693 4.503) 5.790 1.472 ( 0.228 0.101 1.608) 1.628 1.534 ( 0.061 0.301 -2.969) 2.985 1.692 ( -1.896 8.876 -0.666) 9.100 1.868 ( -1.848 10.134 6.845) 12.368 1.905 ( 2.567 13.834 -6.114) 15.341 2.156 ( 0.541 0.170 -1.190) 1.318 2.357 ( -1.714 3.055 -4.161) 5.439 2.579 ( -1.013 -2.968 0.173) 3.141 2.621 ( 10.176 -4.616 4.585) 12.078 2.781 ( 0.459 -2.318 -4.545) 5.123 2.869 ( 2.210 -8.264 6.456) 10.717 3.073 ( -5.491 -8.135 -5.026) 11.027 3.347 ( 3.394 -1.209 -2.174) 4.208 3.489 ( -0.155 -7.324 1.818) 7.548 3.614 ( 1.090 1.322 -0.648) 1.832 3.656 ( -2.063 1.403 0.653) 2.579 4.008 ( 0.817 5.449 1.358) 5.675 4.271 ( -3.036 10.286 2.190) 10.946 4.352 ( 2.028 3.443 2.055) 4.494 4.557 ( -1.331 10.498 -2.474) 10.867 4.671 ( 0.011 3.832 0.800) 3.915 4.755 ( -0.938 -3.820 -0.059) 3.934 5.005 ( 3.081 2.977 8.265) 9.309 5.095 ( -2.785 12.863 -7.440) 15.118 5.289 ( -2.056 -4.296 2.154) 5.227 5.593 ( -0.545 0.415 2.209) 2.313 5.697 ( -0.232 -2.777 3.055) 4.135 6.387 ( 1.742 -15.887 0.212) 15.984 10.147 ( 1.582 3.783 0.015) 4.100 10.543 ( 0.964 -8.317 -0.039) 8.373 11.305 ( -1.798 2.124 0.426) 2.815 11.381 ( -1.748 1.793 1.288) 2.816 12.453 ( -0.795 6.827 -1.213) 6.979 12.940 ( -2.016 -6.624 0.031) 6.924 14.268 ( 1.878 9.448 -0.382) 9.641 14.429 ( -2.086 3.034 0.542) 3.722 14.536 ( 2.677 0.300 -0.265) 2.707 14.838 ( 3.363 -4.570 3.543) 6.690 15.246 ( 2.227 1.809 0.217) 2.877 15.485 ( -3.182 -3.865 -2.662) 5.670 ======================= Grid point 27 (16/148) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.000 4.237 0.000) 4.237 1.042 ( 0.000 0.713 0.000) 0.713 1.278 ( 0.000 18.330 0.000) 18.330 1.416 ( 0.000 5.220 0.000) 5.220 1.572 ( 0.000 -7.863 0.000) 7.863 1.638 ( 0.000 -14.127 0.000) 14.127 2.182 ( 0.000 4.365 0.000) 4.365 2.240 ( 0.000 4.071 0.000) 4.071 2.253 ( 0.000 5.590 0.000) 5.590 2.301 ( 0.000 2.038 0.000) 2.038 2.450 ( 0.000 4.067 0.000) 4.067 2.662 ( 0.000 -12.692 0.000) 12.692 2.806 ( 0.000 3.980 0.000) 3.980 2.847 ( 0.000 9.134 0.000) 9.134 3.030 ( 0.000 2.043 0.000) 2.043 3.340 ( 0.000 -16.539 0.000) 16.539 3.731 ( 0.000 2.366 0.000) 2.366 3.760 ( 0.000 -0.264 0.000) 0.264 4.016 ( 0.000 14.248 0.000) 14.248 4.321 ( 0.000 -12.655 0.000) 12.655 4.361 ( 0.000 6.557 0.000) 6.557 4.534 ( 0.000 -7.533 0.000) 7.533 4.720 ( 0.000 2.716 0.000) 2.716 4.786 ( 0.000 -1.206 0.000) 1.206 5.042 ( 0.000 9.951 0.000) 9.951 5.212 ( 0.000 -1.491 0.000) 1.491 5.380 ( 0.000 -0.371 0.000) 0.371 5.406 ( 0.000 -5.828 0.000) 5.828 5.795 ( 0.000 8.208 0.000) 8.208 5.975 ( 0.000 -8.026 0.000) 8.026 10.084 ( 0.000 7.163 0.000) 7.163 10.250 ( 0.000 -8.270 0.000) 8.270 11.560 ( 0.000 4.701 0.000) 4.701 11.655 ( 0.000 -4.154 0.000) 4.154 12.915 ( 0.000 15.374 0.000) 15.374 13.234 ( 0.000 -14.191 0.000) 14.191 13.923 ( 0.000 1.760 0.000) 1.760 13.954 ( 0.000 -0.979 0.000) 0.979 14.514 ( 0.000 2.755 0.000) 2.755 14.557 ( 0.000 -1.066 0.000) 1.066 15.366 ( 0.000 3.934 0.000) 3.934 15.458 ( 0.000 -4.571 0.000) 4.571 ======================= Grid point 28 (17/148) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 2.558 4.303 -3.027) 5.849 1.081 ( 4.419 -1.001 -1.981) 4.945 1.296 ( 0.097 15.600 4.260) 16.172 1.447 ( 2.509 4.724 6.244) 8.222 1.598 ( 0.622 -6.522 2.472) 7.002 1.689 ( 4.118 -11.198 1.787) 12.064 2.143 ( -3.776 2.780 1.925) 5.069 2.183 ( -5.126 -0.489 2.979) 5.949 2.338 ( 6.268 9.104 0.275) 11.057 2.372 ( 7.248 3.300 -4.004) 8.914 2.448 ( 0.643 2.092 -0.166) 2.195 2.615 ( -1.732 -6.638 -2.693) 7.370 2.840 ( 3.096 4.337 -0.020) 5.328 2.936 ( 6.572 1.816 2.084) 7.130 3.049 ( 2.850 3.048 -1.488) 4.430 3.350 ( 1.478 -14.977 -1.337) 15.109 3.727 ( -1.556 1.902 1.952) 3.139 3.748 ( -1.698 0.014 0.928) 1.934 4.029 ( -0.750 14.497 4.547) 15.212 4.317 ( -1.113 -7.101 2.602) 7.644 4.428 ( 3.957 -0.487 4.718) 6.177 4.537 ( 0.567 -6.359 0.140) 6.386 4.721 ( -0.561 4.598 3.153) 5.603 4.799 ( -0.577 -1.824 3.997) 4.431 4.981 ( -4.275 7.471 -3.782) 9.402 5.111 ( -5.226 -2.885 -7.510) 9.593 5.405 ( 1.986 3.517 5.860) 7.117 5.505 ( -0.601 -5.998 13.763) 15.025 5.776 ( -0.768 8.793 -3.108) 9.358 5.977 ( 1.258 -9.201 -1.987) 9.496 10.102 ( 1.950 6.990 0.032) 7.257 10.264 ( 1.572 -8.136 0.012) 8.286 11.534 ( -3.373 4.012 1.181) 5.373 11.611 ( -5.487 -3.004 1.640) 6.466 12.856 ( -5.196 13.292 -1.350) 14.335 13.132 ( -9.244 -12.189 -0.672) 15.313 14.014 ( 8.058 1.936 2.484) 8.651 14.050 ( 7.951 -1.333 2.120) 8.336 14.553 ( 4.694 2.180 -1.418) 5.366 14.584 ( 3.465 -0.530 -1.382) 3.768 15.319 ( -3.521 6.636 -1.008) 7.580 15.467 ( -0.202 -7.300 0.679) 7.335 ======================= Grid point 29 (18/148) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 4.683 2.782 1.503) 5.651 1.143 ( 3.125 -3.011 0.842) 4.421 1.373 ( 3.914 12.915 5.765) 14.675 1.606 ( -2.001 -6.652 3.378) 7.724 1.618 ( 9.369 6.194 5.606) 12.553 1.793 ( 5.397 -7.479 3.139) 9.742 2.078 ( -3.460 3.445 -1.086) 5.002 2.145 ( -0.523 -2.900 -0.058) 2.947 2.409 ( 1.951 9.986 -0.633) 10.194 2.453 ( 2.525 1.189 -0.822) 2.910 2.483 ( 3.645 -0.825 -0.584) 3.782 2.610 ( 3.491 -3.340 -0.565) 4.864 2.879 ( 1.711 5.279 -2.389) 6.042 3.034 ( 3.147 -8.437 -2.660) 9.390 3.117 ( 6.407 7.529 -0.353) 9.892 3.359 ( 1.005 -10.898 -1.740) 11.081 3.703 ( -2.747 1.741 1.202) 3.467 3.724 ( -2.230 -0.282 1.672) 2.801 4.065 ( -1.004 12.879 7.552) 14.964 4.307 ( -3.260 -6.613 3.575) 8.194 4.549 ( 4.501 -0.757 5.346) 7.029 4.564 ( 1.928 -1.451 -0.150) 2.418 4.765 ( 0.190 3.755 4.636) 5.969 4.818 ( -2.640 -1.055 6.236) 6.853 4.861 ( -3.935 7.262 -3.847) 9.111 5.003 ( -1.235 -5.866 -0.379) 6.007 5.500 ( 1.289 3.744 8.467) 9.347 5.585 ( -2.916 -4.503 12.615) 13.708 5.712 ( -2.502 11.736 -5.247) 13.096 5.986 ( 2.016 -12.824 -2.909) 13.303 10.148 ( 3.228 6.510 0.026) 7.266 10.301 ( 2.593 -7.776 -0.020) 8.197 11.472 ( -5.015 2.602 1.825) 5.938 11.514 ( -7.012 -1.219 2.614) 7.582 12.748 ( -5.155 10.157 -1.635) 11.507 12.965 ( -8.457 -9.808 -0.508) 12.960 14.188 ( 7.966 1.892 2.613) 8.594 14.219 ( 8.929 -0.809 3.012) 9.458 14.621 ( 3.175 2.104 -1.941) 4.275 14.640 ( 4.065 0.199 -0.724) 4.134 15.265 ( -1.257 8.133 -0.489) 8.244 15.454 ( -1.267 -9.395 -0.497) 9.493 ======================= Grid point 30 (19/148) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 5.147 0.140 4.494) 6.834 1.217 ( 3.220 -1.398 4.280) 5.536 1.481 ( 2.888 6.122 2.706) 7.290 1.575 ( -2.886 -1.658 1.143) 3.519 1.805 ( 5.254 4.543 2.665) 7.440 1.907 ( 2.555 -3.236 3.112) 5.166 2.059 ( 4.416 6.912 0.572) 8.222 2.202 ( 7.722 -5.229 1.101) 9.390 2.390 ( -2.258 8.171 -1.320) 8.580 2.461 ( -0.164 1.068 -0.844) 1.371 2.536 ( 3.107 0.382 -2.471) 3.988 2.689 ( 3.305 -6.349 1.411) 7.296 2.847 ( -1.721 4.711 -4.647) 6.837 2.999 ( -2.673 -8.925 -6.118) 11.146 3.233 ( 6.412 3.407 0.161) 7.263 3.364 ( 0.405 -6.568 0.509) 6.600 3.665 ( -1.816 2.019 0.052) 2.716 3.696 ( -2.288 -0.743 1.064) 2.630 4.114 ( -0.284 9.271 6.177) 11.144 4.285 ( -2.580 -4.948 4.430) 7.125 4.552 ( -3.006 4.409 -0.892) 5.410 4.631 ( 0.067 -4.141 1.211) 4.315 4.746 ( 1.267 5.887 -1.123) 6.126 4.794 ( -1.539 2.498 -1.430) 3.265 4.908 ( 3.161 4.545 9.416) 10.923 5.062 ( 2.390 -8.499 7.047) 11.297 5.576 ( -0.586 1.349 7.132) 7.282 5.612 ( -2.308 13.835 -3.981) 14.580 5.624 ( -3.158 1.017 6.656) 7.436 5.994 ( 1.490 -17.340 -2.564) 17.591 10.206 ( 3.087 5.895 -0.019) 6.655 10.347 ( 2.486 -7.348 -0.073) 7.757 11.400 ( -4.591 1.950 1.558) 5.225 11.430 ( -4.875 -0.700 2.478) 5.513 12.660 ( -3.446 8.481 -1.229) 9.237 12.843 ( -5.125 -8.476 -0.284) 9.909 14.325 ( 6.296 3.924 1.361) 7.542 14.391 ( 7.675 -2.214 1.837) 8.197 14.618 ( -1.791 5.107 -0.731) 5.461 14.695 ( 1.620 -2.223 1.396) 3.084 15.272 ( 1.949 5.925 -0.342) 6.246 15.422 ( -1.157 -7.791 -1.633) 8.044 ======================= Grid point 31 (20/148) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 2.824 -0.337 2.735) 3.946 1.319 ( 2.918 -1.649 3.333) 4.726 1.503 ( -0.593 1.881 0.631) 2.071 1.530 ( -2.065 -0.626 -1.487) 2.621 1.851 ( 0.475 5.777 -0.085) 5.797 1.931 ( 0.238 -1.177 0.376) 1.259 2.218 ( 7.178 9.107 4.170) 12.323 2.311 ( -0.509 14.628 -0.946) 14.668 2.404 ( 2.635 -3.628 1.773) 4.822 2.483 ( 7.397 -3.754 2.207) 8.584 2.524 ( -1.244 -0.724 -3.531) 3.813 2.679 ( -5.848 -8.696 -2.559) 10.788 2.778 ( -1.466 1.539 -2.503) 3.283 2.894 ( -2.198 -8.722 -2.671) 9.383 3.328 ( 3.985 0.360 -0.115) 4.003 3.372 ( -0.902 -3.587 1.243) 3.902 3.647 ( -0.203 1.437 -0.244) 1.472 3.667 ( -1.412 -0.327 0.167) 1.459 4.147 ( 0.003 7.182 2.010) 7.458 4.292 ( -0.514 -5.680 2.515) 6.233 4.488 ( -2.271 7.834 -0.521) 8.173 4.618 ( -0.825 -4.383 -0.050) 4.460 4.771 ( 1.241 3.938 -1.057) 4.262 4.774 ( -0.112 3.663 -0.038) 3.665 5.039 ( 3.032 2.755 5.481) 6.843 5.133 ( 0.311 -5.456 2.418) 5.976 5.526 ( -1.935 18.287 -2.072) 18.505 5.615 ( -0.090 3.897 1.935) 4.351 5.637 ( -0.962 -2.606 3.095) 4.158 5.996 ( 0.485 -20.437 -1.051) 20.470 10.245 ( 1.288 5.451 -0.023) 5.601 10.378 ( 1.040 -7.064 -0.050) 7.140 11.351 ( -1.818 2.141 0.648) 2.883 11.388 ( -1.713 -0.990 0.987) 2.211 12.612 ( -1.214 7.948 -0.451) 8.053 12.783 ( -1.701 -7.929 -0.100) 8.110 14.433 ( 5.296 4.904 0.114) 7.219 14.486 ( 0.957 0.129 0.301) 1.011 14.572 ( -1.805 5.461 0.010) 5.751 14.719 ( -0.227 -6.671 1.565) 6.856 15.304 ( 1.374 3.650 -0.090) 3.902 15.394 ( -0.528 -4.508 -1.090) 4.668 ======================= Grid point 63 (21/148) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( -1.524 0.000 15.616) 15.690 0.425 ( -0.797 0.000 19.616) 19.632 0.906 ( 1.696 0.000 40.594) 40.630 1.032 ( 0.723 0.000 0.426) 0.840 1.515 ( 3.979 0.000 -5.578) 6.852 1.751 ( 8.595 0.000 -4.512) 9.707 1.767 ( -3.622 0.000 -0.638) 3.678 2.005 ( -5.586 0.000 0.621) 5.620 2.087 ( 4.277 0.000 6.223) 7.551 2.204 ( -4.861 0.000 1.809) 5.187 2.553 ( -4.944 0.000 -5.540) 7.425 2.774 ( -2.920 0.000 -1.141) 3.135 2.932 ( 0.999 0.000 -1.625) 1.907 2.958 ( 1.968 0.000 -1.567) 2.516 3.374 ( 5.012 0.000 1.008) 5.113 3.406 ( -1.414 0.000 -3.511) 3.785 3.566 ( 5.127 0.000 -0.695) 5.174 3.704 ( -1.823 0.000 5.209) 5.518 3.781 ( -4.872 0.000 4.013) 6.312 4.251 ( -3.742 0.000 -2.631) 4.574 4.289 ( 5.602 0.000 1.543) 5.810 4.351 ( -0.254 0.000 4.793) 4.800 4.405 ( 2.521 0.000 4.813) 5.434 4.757 ( 2.347 0.000 0.984) 2.545 4.879 ( -4.713 0.000 -3.070) 5.624 5.212 ( 6.998 0.000 8.622) 11.104 5.523 ( -2.174 0.000 -5.987) 6.370 5.732 ( 0.995 0.000 3.374) 3.518 6.051 ( 9.350 0.000 0.719) 9.377 6.365 ( 20.490 0.000 -3.890) 20.856 9.865 ( -1.217 0.000 2.635) 2.902 10.602 ( 2.258 0.000 -4.162) 4.735 11.413 ( -0.544 0.000 2.917) 2.968 11.794 ( 25.978 0.000 -0.222) 25.979 13.048 ( -86.197 0.000 0.987) 86.203 13.451 ( 1.653 0.000 -0.517) 1.732 13.850 ( 2.787 0.000 2.057) 3.464 13.943 ( -1.883 0.000 0.674) 2.000 14.402 ( 0.182 0.000 0.770) 0.792 14.531 ( 1.270 0.000 0.027) 1.270 14.869 ( -0.392 0.000 2.486) 2.517 15.469 ( 37.847 0.000 -2.092) 37.904 ======================= Grid point 64 (22/148) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 15.601 0.000 11.416) 19.332 0.666 ( 8.971 0.000 16.649) 18.912 1.160 ( 11.213 0.000 2.275) 11.441 1.272 ( 5.683 0.000 15.073) 16.109 1.610 ( -0.217 0.000 9.343) 9.345 1.706 ( 6.265 0.000 0.707) 6.305 1.845 ( 1.602 0.000 1.285) 2.054 1.937 ( 2.066 0.000 -5.459) 5.837 2.081 ( -6.727 0.000 -1.648) 6.926 2.366 ( 16.941 0.000 -3.089) 17.220 2.427 ( -2.979 0.000 -7.410) 7.986 2.695 ( -3.752 0.000 -1.664) 4.105 2.959 ( -1.410 0.000 0.531) 1.506 3.017 ( 7.509 0.000 0.675) 7.539 3.354 ( -0.123 0.000 -5.248) 5.249 3.478 ( 5.806 0.000 0.036) 5.806 3.664 ( 4.224 0.000 0.948) 4.329 3.694 ( -3.448 0.000 3.216) 4.715 3.776 ( -1.416 0.000 8.733) 8.847 4.149 ( -4.666 0.000 -3.025) 5.561 4.357 ( 4.043 0.000 -3.806) 5.553 4.477 ( 0.462 0.000 5.049) 5.070 4.479 ( 5.293 0.000 11.447) 12.611 4.676 ( -13.788 0.000 -5.858) 14.981 4.807 ( 1.439 0.000 2.624) 2.993 5.384 ( 4.642 0.000 5.894) 7.502 5.520 ( 4.943 0.000 2.485) 5.533 5.640 ( -10.667 0.000 -0.228) 10.669 6.270 ( 12.748 0.000 1.951) 12.897 6.280 ( -16.120 0.000 -0.192) 16.121 9.888 ( 1.411 0.000 2.470) 2.845 10.622 ( 3.955 0.000 -3.928) 5.574 11.411 ( -2.538 0.000 2.943) 3.886 11.928 ( -20.887 0.000 8.353) 22.495 12.253 ( -6.824 0.000 4.520) 8.185 13.419 ( -5.177 0.000 0.683) 5.222 13.934 ( 0.657 0.000 -0.154) 0.675 14.013 ( 11.291 0.000 3.964) 11.966 14.408 ( -0.312 0.000 1.282) 1.319 14.574 ( 3.148 0.000 1.382) 3.438 14.930 ( 4.472 0.000 2.306) 5.032 15.819 ( 12.176 0.000 -14.099) 18.629 ======================= Grid point 65 (23/148) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 10.678 0.000 13.284) 17.043 0.989 ( 13.967 0.000 10.852) 17.687 1.322 ( -0.848 0.000 -4.229) 4.313 1.376 ( 7.839 0.000 4.634) 9.107 1.537 ( -4.265 0.000 -0.848) 4.348 1.816 ( -1.644 0.000 -1.755) 2.404 1.927 ( -8.027 0.000 -1.348) 8.139 2.001 ( 7.511 0.000 -4.970) 9.006 2.133 ( 18.579 0.000 20.380) 27.577 2.327 ( -2.156 0.000 -5.450) 5.861 2.582 ( 12.939 0.000 -6.670) 14.557 2.658 ( 1.655 0.000 -0.961) 1.914 2.919 ( -3.903 0.000 1.785) 4.292 3.143 ( 6.858 0.000 -4.090) 7.985 3.331 ( 2.731 0.000 -3.974) 4.822 3.564 ( 4.738 0.000 -1.980) 5.135 3.648 ( -3.389 0.000 0.864) 3.497 3.705 ( -0.910 0.000 3.925) 4.029 3.887 ( 4.576 0.000 9.472) 10.520 4.045 ( -4.312 0.000 -4.050) 5.916 4.338 ( -15.376 0.000 -6.318) 16.624 4.391 ( 2.157 0.000 -0.424) 2.198 4.520 ( -2.387 0.000 5.026) 5.564 4.660 ( 5.537 0.000 4.968) 7.439 4.859 ( 0.854 0.000 6.550) 6.605 5.395 ( -15.555 0.000 -1.805) 15.660 5.490 ( 3.620 0.000 3.465) 5.011 5.660 ( 5.302 0.000 4.806) 7.156 5.977 ( -18.123 0.000 0.545) 18.131 6.494 ( 11.239 0.000 0.867) 11.273 9.950 ( 3.242 0.000 2.122) 3.875 10.670 ( 5.115 0.000 -3.720) 6.325 11.374 ( -4.120 0.000 2.163) 4.653 11.635 ( -19.067 0.000 11.274) 22.151 12.263 ( 2.174 0.000 -3.599) 4.204 13.305 ( -8.041 0.000 1.033) 8.107 13.957 ( 1.862 0.000 -0.004) 1.862 14.255 ( 11.992 0.000 2.409) 12.232 14.412 ( -0.972 0.000 2.032) 2.253 14.676 ( 6.577 0.000 3.899) 7.646 15.042 ( 6.313 0.000 1.241) 6.434 15.780 ( -1.759 0.000 -12.257) 12.383 ======================= Grid point 66 (24/148) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 1.835 0.000 -6.091) 6.362 1.227 ( 7.465 0.000 7.889) 10.861 1.312 ( 3.274 0.000 12.959) 13.366 1.468 ( -1.019 0.000 4.288) 4.407 1.498 ( 3.011 0.000 -3.796) 4.845 1.758 ( -10.068 0.000 -0.197) 10.070 1.782 ( -0.311 0.000 -3.370) 3.384 2.080 ( 5.322 0.000 -3.114) 6.166 2.284 ( 0.520 0.000 0.260) 0.581 2.572 ( 13.382 0.000 12.363) 18.218 2.696 ( -0.071 0.000 -0.621) 0.625 2.715 ( 8.976 0.000 -6.983) 11.372 2.920 ( 5.354 0.000 2.184) 5.782 3.179 ( 5.283 0.000 -8.246) 9.793 3.382 ( 4.722 0.000 -1.943) 5.106 3.592 ( 0.352 0.000 -4.662) 4.675 3.609 ( -0.234 0.000 -1.235) 1.257 3.720 ( -2.045 0.000 6.407) 6.726 3.891 ( -7.608 0.000 -7.385) 10.603 4.066 ( 6.396 0.000 8.470) 10.613 4.102 ( -7.509 0.000 0.776) 7.549 4.421 ( -1.558 0.000 3.956) 4.251 4.504 ( -3.598 0.000 3.656) 5.129 4.710 ( 0.242 0.000 -2.442) 2.454 4.913 ( -3.764 0.000 2.549) 4.545 5.159 ( -7.055 0.000 3.003) 7.667 5.559 ( 1.633 0.000 1.256) 2.060 5.663 ( -16.345 0.000 -4.080) 16.847 5.748 ( 2.157 0.000 -0.233) 2.169 6.659 ( 7.399 0.000 -0.930) 7.457 10.026 ( 3.312 0.000 1.686) 3.716 10.730 ( 5.030 0.000 -3.737) 6.266 11.312 ( -4.283 0.000 1.092) 4.420 11.443 ( -12.380 0.000 7.150) 14.296 12.265 ( 0.653 0.000 -0.271) 0.707 13.182 ( -6.610 0.000 1.094) 6.700 13.990 ( 1.647 0.000 0.312) 1.676 14.403 ( -1.937 0.000 1.782) 2.632 14.428 ( 7.043 0.000 -0.806) 7.089 14.865 ( 9.476 0.000 4.635) 10.548 15.154 ( 5.267 0.000 0.692) 5.312 15.604 ( -6.165 0.000 -10.023) 11.767 ======================= Grid point 67 (25/148) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -2.113 0.000 -3.295) 3.914 1.320 ( 0.796 0.000 -1.864) 2.027 1.402 ( 1.122 0.000 -3.179) 3.371 1.424 ( -7.466 0.000 0.654) 7.495 1.567 ( -2.864 0.000 -1.194) 3.103 1.654 ( 1.766 0.000 12.230) 12.357 1.780 ( 2.238 0.000 1.445) 2.664 2.151 ( 5.407 0.000 -0.140) 5.409 2.347 ( 1.998 0.000 7.451) 7.714 2.647 ( -2.825 0.000 -0.410) 2.855 2.715 ( -2.215 0.000 -4.368) 4.898 2.800 ( 6.902 0.000 -1.969) 7.178 3.070 ( 5.034 0.000 -1.700) 5.313 3.235 ( 7.577 0.000 -7.472) 10.642 3.437 ( 2.939 0.000 -1.059) 3.124 3.499 ( -0.936 0.000 -8.777) 8.827 3.614 ( 2.515 0.000 -1.322) 2.842 3.745 ( -3.048 0.000 9.685) 10.153 3.777 ( -1.035 0.000 0.203) 1.055 4.041 ( -1.877 0.000 1.987) 2.734 4.177 ( -4.538 0.000 0.141) 4.540 4.326 ( -5.863 0.000 0.968) 5.943 4.463 ( -3.502 0.000 1.857) 3.964 4.769 ( 5.517 0.000 9.435) 10.930 4.812 ( -1.976 0.000 -5.194) 5.557 5.147 ( -5.022 0.000 1.654) 5.288 5.376 ( -7.372 0.000 -7.988) 10.870 5.561 ( -0.975 0.000 -2.124) 2.337 5.729 ( -0.985 0.000 -6.325) 6.402 6.724 ( 1.999 0.000 -3.429) 3.969 10.080 ( 1.053 0.000 1.374) 1.731 10.770 ( 3.047 0.000 -4.131) 5.133 11.258 ( -2.217 0.000 0.449) 2.262 11.322 ( -7.080 0.000 4.232) 8.249 12.301 ( 1.969 0.000 4.218) 4.655 13.106 ( -2.912 0.000 1.021) 3.085 14.016 ( 0.825 0.000 0.670) 1.063 14.377 ( -2.106 0.000 0.565) 2.181 14.503 ( 3.042 0.000 -1.443) 3.367 14.959 ( -2.156 0.000 -5.624) 6.023 15.225 ( 1.895 0.000 0.782) 2.050 15.503 ( 3.520 0.000 -1.170) 3.709 ======================= Grid point 68 (26/148) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -7.494 0.000 -2.858) 8.020 1.217 ( -12.520 0.000 -3.158) 12.912 1.293 ( -0.611 0.000 -5.215) 5.251 1.343 ( -0.593 0.000 -5.523) 5.555 1.553 ( 1.900 0.000 2.767) 3.357 1.827 ( 3.320 0.000 11.516) 11.985 1.837 ( 1.028 0.000 1.609) 1.909 2.285 ( 7.518 0.000 5.226) 9.156 2.440 ( -0.526 0.000 9.686) 9.700 2.525 ( -13.812 0.000 -5.408) 14.833 2.628 ( 0.999 0.000 -0.393) 1.073 2.875 ( 5.090 0.000 -4.295) 6.659 2.956 ( -9.356 0.000 -7.185) 11.796 3.237 ( 0.200 0.000 -11.472) 11.474 3.465 ( 1.112 0.000 -0.494) 1.217 3.504 ( 4.654 0.000 -4.413) 6.414 3.631 ( -0.322 0.000 -2.993) 3.011 3.737 ( -10.015 0.000 11.519) 15.264 3.872 ( 9.768 0.000 3.009) 10.221 3.949 ( -8.469 0.000 -3.789) 9.278 4.076 ( 3.987 0.000 4.639) 6.117 4.375 ( 4.070 0.000 2.501) 4.778 4.422 ( -2.107 0.000 0.335) 2.134 4.742 ( -0.011 0.000 -6.131) 6.131 4.851 ( -12.103 0.000 -6.378) 13.681 5.095 ( 8.966 0.000 12.395) 15.298 5.312 ( 3.521 0.000 -10.051) 10.649 5.489 ( -3.417 0.000 -6.036) 6.936 5.624 ( -2.572 0.000 -9.679) 10.015 6.670 ( -3.531 0.000 -6.133) 7.077 10.078 ( -2.541 0.000 1.451) 2.926 10.760 ( 0.184 0.000 -4.572) 4.576 11.251 ( 0.922 0.000 0.346) 0.984 11.268 ( -2.143 0.000 1.819) 2.811 12.415 ( 4.782 0.000 9.568) 10.697 13.101 ( 1.489 0.000 0.583) 1.599 14.029 ( -0.377 0.000 1.370) 1.420 14.346 ( -1.098 0.000 -0.724) 1.315 14.508 ( -2.118 0.000 -1.192) 2.430 14.746 ( -9.412 0.000 -11.540) 14.891 15.227 ( -2.530 0.000 0.943) 2.700 15.662 ( 10.780 0.000 2.085) 10.980 ======================= Grid point 69 (27/148) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -14.106 0.000 -2.265) 14.287 0.944 ( -15.893 0.000 -1.538) 15.967 1.255 ( 1.214 0.000 -5.304) 5.441 1.327 ( 1.886 0.000 -4.096) 4.509 1.642 ( 3.404 0.000 5.275) 6.278 1.815 ( -3.809 0.000 -1.465) 4.081 1.893 ( -6.799 0.000 1.356) 6.933 2.217 ( -15.342 0.000 5.120) 16.174 2.433 ( -9.456 0.000 4.687) 10.554 2.479 ( 7.801 0.000 7.781) 11.019 2.649 ( 2.863 0.000 -1.761) 3.361 2.805 ( -1.429 0.000 -0.667) 1.576 2.913 ( 4.133 0.000 -5.998) 7.284 3.046 ( -7.045 0.000 -15.461) 16.990 3.474 ( 0.518 0.000 -0.488) 0.712 3.509 ( -0.020 0.000 -7.763) 7.763 3.593 ( -0.280 0.000 0.767) 0.817 3.654 ( -7.944 0.000 11.518) 13.992 3.851 ( -3.638 0.000 -1.957) 4.131 4.034 ( 6.005 0.000 2.382) 6.460 4.299 ( 13.181 0.000 5.214) 14.175 4.408 ( 1.442 0.000 1.625) 2.173 4.469 ( 2.490 0.000 2.632) 3.623 4.565 ( -10.045 0.000 -5.159) 11.292 4.703 ( 1.701 0.000 -6.550) 6.767 5.232 ( 2.273 0.000 -19.995) 20.124 5.341 ( -5.238 0.000 -10.410) 11.654 5.414 ( 10.741 0.000 14.071) 17.702 5.514 ( -1.153 0.000 -7.030) 7.124 6.507 ( -7.834 0.000 -8.458) 11.529 10.023 ( -5.067 0.000 1.859) 5.398 10.710 ( -1.124 0.000 -4.662) 4.795 11.268 ( 0.954 0.000 -0.002) 0.954 11.287 ( 2.507 0.000 0.577) 2.572 12.634 ( 8.169 0.000 16.481) 18.394 13.163 ( 5.292 0.000 -0.291) 5.300 14.026 ( -1.691 0.000 2.171) 2.752 14.331 ( -13.096 0.000 -6.460) 14.603 14.333 ( 0.543 0.000 -1.087) 1.215 14.593 ( -0.912 0.000 -4.357) 4.452 15.156 ( -6.413 0.000 0.901) 6.476 15.844 ( 9.491 0.000 -2.712) 9.871 ======================= Grid point 70 (28/148) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -15.756 0.000 4.199) 16.306 0.658 ( -17.205 0.000 2.877) 17.444 1.228 ( -17.687 0.000 0.974) 17.714 1.228 ( -2.143 0.000 -1.771) 2.780 1.575 ( -9.850 0.000 -3.220) 10.363 1.703 ( -3.844 0.000 -5.659) 6.841 1.797 ( 3.215 0.000 4.191) 5.282 2.183 ( -1.967 0.000 10.488) 10.671 2.256 ( -10.296 0.000 0.101) 10.296 2.655 ( 3.868 0.000 6.627) 7.673 2.707 ( 2.804 0.000 2.402) 3.693 2.742 ( -7.575 0.000 -20.905) 22.235 2.837 ( 4.177 0.000 -0.668) 4.230 2.973 ( 4.334 0.000 -2.767) 5.141 3.403 ( -2.768 0.000 -8.047) 8.510 3.475 ( 0.039 0.000 -0.582) 0.583 3.627 ( 1.116 0.000 3.400) 3.579 3.647 ( -4.371 0.000 8.311) 9.390 3.766 ( -2.668 0.000 -0.802) 2.786 4.156 ( 5.550 0.000 3.093) 6.354 4.339 ( -6.853 0.000 -2.472) 7.285 4.369 ( -0.165 0.000 -0.387) 0.420 4.611 ( 4.777 0.000 -0.432) 4.797 4.658 ( 14.623 0.000 6.131) 15.856 4.709 ( 3.395 0.000 1.691) 3.793 5.022 ( -4.245 0.000 -22.439) 22.837 5.164 ( -4.573 0.000 -9.605) 10.638 5.484 ( 2.737 0.000 -2.624) 3.792 5.688 ( 7.589 0.000 12.084) 14.269 6.271 ( -9.907 0.000 -9.863) 13.979 9.947 ( -5.338 0.000 2.294) 5.810 10.654 ( -0.747 0.000 -4.536) 4.597 11.294 ( 1.900 0.000 0.686) 2.020 11.338 ( 2.355 0.000 1.233) 2.658 12.994 ( 13.868 0.000 26.047) 29.509 13.270 ( 7.357 0.000 -1.235) 7.460 14.007 ( -2.613 0.000 2.373) 3.530 14.060 ( -11.248 0.000 -4.382) 12.072 14.348 ( 1.716 0.000 -0.190) 1.726 14.561 ( -0.780 0.000 -1.067) 1.322 15.032 ( -8.150 0.000 0.885) 8.198 15.900 ( 3.415 0.000 -15.623) 15.992 ======================= Grid point 71 (29/148) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -12.396 0.000 15.426) 19.790 0.430 ( -14.722 0.000 12.325) 19.200 0.824 ( -28.613 0.000 22.226) 36.231 1.118 ( -8.610 0.000 0.254) 8.614 1.513 ( 3.161 0.000 -5.876) 6.672 1.663 ( 5.892 0.000 -6.993) 9.145 1.856 ( -1.982 0.000 2.282) 3.023 2.109 ( -7.282 0.000 0.768) 7.322 2.228 ( -1.332 0.000 3.749) 3.979 2.360 ( -18.303 0.000 -20.343) 27.365 2.664 ( -4.748 0.000 1.087) 4.871 2.784 ( 2.083 0.000 1.199) 2.404 2.914 ( 5.276 0.000 -2.564) 5.866 2.998 ( 1.293 0.000 -8.530) 8.628 3.326 ( 0.376 0.000 -2.878) 2.903 3.456 ( -1.488 0.000 -1.540) 2.141 3.570 ( -3.263 0.000 -4.995) 5.966 3.675 ( 0.044 0.000 5.022) 5.022 3.817 ( 2.789 0.000 1.710) 3.272 4.244 ( -2.963 0.000 -0.554) 3.014 4.267 ( 3.670 0.000 2.082) 4.219 4.356 ( -0.976 0.000 0.770) 1.243 4.453 ( -11.664 0.000 -12.352) 16.989 4.723 ( 1.390 0.000 -2.425) 2.795 4.894 ( 6.811 0.000 0.291) 6.817 5.069 ( 0.982 0.000 0.330) 1.036 5.235 ( 27.500 0.000 35.848) 45.181 5.549 ( 4.476 0.000 -1.272) 4.653 5.894 ( 7.091 0.000 12.604) 14.462 6.040 ( -5.646 0.000 -7.725) 9.568 9.887 ( -3.771 0.000 2.567) 4.562 10.614 ( 0.550 0.000 -4.359) 4.394 11.384 ( 1.203 0.000 2.177) 2.487 11.394 ( 8.577 0.000 8.685) 12.207 13.383 ( 6.522 0.000 -1.490) 6.690 13.567 ( 23.613 0.000 16.931) 29.056 13.925 ( -1.758 0.000 6.706) 6.933 13.977 ( -2.884 0.000 1.816) 3.408 14.381 ( 1.486 0.000 0.739) 1.660 14.545 ( -0.855 0.000 0.525) 1.003 14.911 ( -6.106 0.000 1.448) 6.276 15.524 ( -26.227 0.000 -37.714) 45.937 ======================= Grid point 72 (30/148) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 1.958 13.867 8.231) 16.245 0.591 ( 0.362 12.007 12.769) 17.532 1.035 ( -0.037 0.871 -0.750) 1.150 1.284 ( -0.935 27.992 26.970) 38.882 1.561 ( 6.162 -0.367 -3.397) 7.046 1.623 ( 0.095 -0.639 -0.421) 0.771 1.868 ( 5.184 1.605 -6.765) 8.673 2.040 ( -5.695 2.823 1.299) 6.487 2.111 ( 2.282 2.267 5.257) 6.162 2.163 ( -4.866 -1.478 1.881) 5.423 2.543 ( -5.476 -1.551 -3.923) 6.912 2.758 ( 0.941 -2.089 -2.871) 3.673 2.848 ( -0.092 -5.901 -1.047) 5.994 3.021 ( 2.913 2.278 -2.403) 4.410 3.258 ( 2.126 -10.174 0.658) 10.414 3.471 ( 0.910 5.600 -4.704) 7.370 3.602 ( 4.423 3.391 0.880) 5.643 3.730 ( -1.332 1.657 4.995) 5.429 3.777 ( -0.846 1.518 4.639) 4.954 4.295 ( 3.379 0.621 4.225) 5.445 4.383 ( -1.318 4.233 0.008) 4.434 4.398 ( 1.083 6.782 2.856) 7.438 4.569 ( -1.319 8.889 -8.390) 12.294 4.721 ( -1.114 1.320 0.620) 1.835 4.988 ( 0.278 4.498 -3.955) 5.995 5.171 ( 5.955 -1.127 9.484) 11.255 5.466 ( -5.613 -7.227 -5.714) 10.789 5.632 ( 3.796 -4.712 4.587) 7.593 6.008 ( 13.963 -8.014 4.607) 16.746 6.181 ( 2.930 -5.684 5.349) 8.337 9.893 ( -1.167 2.634 2.529) 3.834 10.562 ( 1.200 -4.360 -2.680) 5.257 11.415 ( 0.174 1.364 3.153) 3.440 11.801 ( 14.628 -0.650 0.215) 14.644 12.612 ( -31.515 -8.968 15.909) 36.424 13.609 ( -5.765 -1.801 -6.174) 8.637 13.861 ( 3.993 1.566 1.533) 4.555 13.970 ( 2.026 1.120 1.619) 2.825 14.425 ( -3.381 1.561 1.296) 3.943 14.532 ( -0.536 0.801 -0.445) 1.062 15.105 ( -11.203 9.724 -8.110) 16.907 15.511 ( 23.948 1.984 -4.757) 24.496 ======================= Grid point 73 (31/148) ======================= q-point: ( 0.11 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 13.104 9.118 9.014) 18.333 0.772 ( 7.686 8.029 11.404) 15.925 1.141 ( 10.503 -0.622 1.684) 10.655 1.442 ( 0.412 9.666 5.648) 11.203 1.597 ( -3.222 -0.899 0.756) 3.430 1.796 ( 14.142 12.429 16.362) 24.944 1.924 ( 7.550 0.570 -7.047) 10.343 1.945 ( -6.528 4.490 0.792) 7.962 2.078 ( -3.637 1.087 -0.551) 3.836 2.278 ( 8.105 -4.109 1.882) 9.280 2.422 ( -2.018 -0.636 -6.248) 6.596 2.723 ( -1.410 -0.671 -2.399) 2.863 2.863 ( 1.176 -6.340 -0.281) 6.454 3.087 ( 6.295 2.737 -1.101) 6.952 3.273 ( 1.193 -6.838 -4.021) 8.021 3.484 ( 3.027 0.639 -0.584) 3.148 3.672 ( 1.001 1.177 0.988) 1.835 3.738 ( -1.455 2.787 3.651) 4.818 3.813 ( -0.093 3.514 7.272) 8.077 4.266 ( -5.081 7.617 -4.685) 10.285 4.415 ( 2.262 5.017 -4.382) 7.035 4.453 ( 3.099 -0.572 8.493) 9.059 4.554 ( 0.029 6.255 3.017) 6.945 4.672 ( -5.185 2.210 1.473) 5.826 4.935 ( -2.884 7.933 -1.792) 8.629 5.324 ( 2.577 -5.179 6.233) 8.503 5.424 ( 2.563 -7.772 2.741) 8.630 5.634 ( -4.846 -0.515 1.655) 5.146 6.143 ( -8.736 -9.873 5.046) 14.116 6.235 ( 9.081 -3.570 0.511) 9.771 9.916 ( 1.378 2.570 2.391) 3.771 10.574 ( 2.700 -4.592 -2.514) 5.890 11.424 ( -2.084 1.595 2.922) 3.927 11.845 ( -13.373 -5.495 6.991) 16.059 12.339 ( -5.547 7.753 3.032) 10.003 13.425 ( -9.404 -1.696 -1.549) 9.681 14.004 ( 5.502 3.241 1.093) 6.478 14.039 ( 7.674 3.366 2.141) 8.649 14.432 ( 1.002 2.048 0.526) 2.340 14.559 ( 3.483 -0.729 1.255) 3.774 14.994 ( 0.184 5.334 0.220) 5.342 15.741 ( 9.228 -6.125 -9.416) 14.537 ======================= Grid point 74 (32/148) ======================= q-point: ( 0.22 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 9.971 4.165 8.737) 13.896 1.069 ( 14.287 6.438 9.993) 18.586 1.330 ( 5.437 -2.170 4.543) 7.410 1.454 ( 0.935 6.278 -3.164) 7.092 1.551 ( -0.982 4.097 -0.851) 4.298 1.831 ( -5.174 1.583 -2.079) 5.796 1.934 ( -5.867 1.063 0.099) 5.964 2.016 ( 6.960 1.280 -5.147) 8.751 2.256 ( 13.335 9.763 18.280) 24.643 2.333 ( -0.160 0.464 -4.034) 4.063 2.447 ( 10.078 -6.011 -2.458) 11.989 2.708 ( 1.535 -0.495 -1.597) 2.270 2.865 ( -0.591 -4.091 0.718) 4.195 3.179 ( 5.367 1.346 -5.283) 7.650 3.262 ( 3.032 -5.696 -4.517) 7.876 3.535 ( 3.117 -2.633 -1.564) 4.370 3.650 ( -2.913 0.021 0.506) 2.957 3.742 ( -2.169 2.698 3.923) 5.232 3.900 ( 2.200 2.467 7.052) 7.788 4.151 ( -3.296 8.356 -2.104) 9.226 4.374 ( -9.132 4.279 -1.653) 10.220 4.434 ( -0.474 3.810 -3.495) 5.192 4.588 ( -0.273 5.407 4.808) 7.240 4.702 ( 3.710 3.194 5.178) 7.126 4.915 ( -0.287 4.834 4.069) 6.325 5.304 ( -10.248 -6.478 -1.021) 12.167 5.472 ( 0.837 -3.772 4.244) 5.739 5.633 ( 2.162 -1.133 4.133) 4.800 5.952 ( -13.911 -2.280 1.908) 14.225 6.420 ( 10.187 -6.892 0.066) 12.299 9.976 ( 3.138 2.405 2.083) 4.469 10.612 ( 3.871 -5.147 -2.296) 6.838 11.392 ( -3.942 1.772 2.030) 4.775 11.636 ( -15.391 -0.254 8.270) 17.474 12.322 ( 0.662 5.586 -2.252) 6.060 13.263 ( -8.687 -3.993 0.317) 9.566 14.040 ( 1.584 6.443 -0.570) 6.659 14.264 ( 11.626 0.748 2.393) 11.893 14.441 ( -0.900 2.668 1.610) 3.244 14.669 ( 6.865 -0.591 3.509) 7.732 15.056 ( 5.196 1.483 0.927) 5.483 15.717 ( -1.376 -5.439 -9.991) 11.458 ======================= Grid point 75 (33/148) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 7.793 3.175 2.211) 8.701 1.345 ( 4.208 3.796 10.300) 11.756 1.409 ( 3.641 6.387 1.460) 7.495 1.445 ( 2.760 2.694 -2.445) 4.566 1.521 ( -3.435 2.932 1.007) 4.627 1.749 ( -3.295 -1.029 -3.236) 4.732 1.819 ( -5.376 4.702 1.155) 7.235 2.091 ( 4.783 0.634 -2.231) 5.316 2.290 ( 0.025 0.972 -1.151) 1.507 2.562 ( 10.978 -3.746 5.249) 12.732 2.663 ( 10.671 -0.019 -0.572) 10.686 2.702 ( -2.539 -1.358 0.855) 3.004 2.914 ( 6.307 -0.668 3.390) 7.192 3.175 ( 2.625 -2.016 -10.091) 10.620 3.290 ( 3.180 -6.686 -4.303) 8.563 3.550 ( 1.683 -2.579 -3.630) 4.761 3.617 ( -0.934 0.435 0.177) 1.046 3.730 ( -3.436 0.663 5.352) 6.394 3.930 ( -2.128 3.207 -1.213) 4.035 4.172 ( 0.973 9.882 5.952) 11.577 4.209 ( -4.258 7.855 1.378) 9.041 4.402 ( -3.215 2.481 -0.803) 4.140 4.629 ( 1.167 5.579 6.260) 8.466 4.757 ( 1.018 4.723 -3.780) 6.135 4.917 ( -8.377 1.419 0.985) 8.553 5.118 ( -4.299 -3.233 3.871) 6.627 5.496 ( -2.878 -5.601 0.001) 6.297 5.641 ( -5.222 -0.764 -0.583) 5.309 5.771 ( -4.062 0.887 -1.307) 4.358 6.568 ( 6.938 -8.452 -1.152) 10.996 10.049 ( 3.168 2.183 1.699) 4.205 10.662 ( 3.792 -5.739 -2.127) 7.200 11.329 ( -4.362 1.630 0.942) 4.751 11.468 ( -10.522 1.759 5.320) 11.921 12.315 ( 0.258 4.600 -0.260) 4.615 13.134 ( -6.347 -4.393 0.620) 7.744 14.063 ( 1.453 6.277 -0.199) 6.446 14.420 ( 0.662 1.588 0.403) 1.767 14.443 ( 4.095 1.209 0.920) 4.368 14.846 ( 8.478 -1.641 4.063) 9.543 15.158 ( 5.196 0.497 0.569) 5.251 15.569 ( -5.036 -3.103 -8.687) 10.510 ======================= Grid point 76 (34/148) ======================= q-point: ( 0.44 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -2.555 7.009 -4.024) 8.476 1.369 ( -3.708 3.173 -1.866) 5.225 1.416 ( 3.038 2.228 -3.131) 4.899 1.502 ( -2.860 7.052 1.385) 7.735 1.545 ( 0.889 -0.833 -1.042) 1.603 1.658 ( -2.188 0.328 7.378) 7.702 1.820 ( 1.393 4.782 4.057) 6.424 2.151 ( 4.299 0.009 0.435) 4.321 2.345 ( 2.936 0.192 6.454) 7.093 2.635 ( -2.518 -1.325 -0.314) 2.863 2.712 ( -2.054 -0.561 -3.786) 4.343 2.768 ( 8.192 -2.551 -0.261) 8.584 3.048 ( -3.267 -4.253 -8.149) 9.755 3.126 ( 9.299 -8.616 -2.094) 12.849 3.327 ( 4.555 -2.297 -3.116) 5.977 3.558 ( 2.708 -1.391 -4.819) 5.700 3.612 ( -0.224 1.373 1.123) 1.788 3.722 ( -3.076 -1.944 6.785) 7.699 3.884 ( -0.428 7.615 -0.476) 7.642 4.121 ( -5.375 5.724 2.562) 8.259 4.246 ( -6.083 6.609 -3.025) 9.478 4.349 ( 2.118 7.018 4.899) 8.817 4.635 ( -8.350 8.339 -3.523) 12.315 4.769 ( 6.472 1.179 8.097) 10.433 4.793 ( -0.452 -0.254 -2.316) 2.373 5.134 ( -4.053 -0.874 2.349) 4.765 5.339 ( -6.050 -3.143 -6.660) 9.531 5.567 ( -1.983 0.399 -2.833) 3.481 5.711 ( -1.564 -1.572 -6.252) 6.633 6.629 ( 2.081 -8.730 -3.143) 9.509 10.101 ( 0.972 2.018 1.439) 2.663 10.698 ( 2.087 -6.038 -2.184) 6.751 11.272 ( -2.337 1.355 0.225) 2.711 11.358 ( -5.952 2.646 2.563) 7.000 12.341 ( 1.646 3.677 3.196) 5.142 13.060 ( -2.601 -4.268 0.527) 5.026 14.086 ( 1.096 6.319 0.378) 6.425 14.394 ( -2.212 1.624 0.561) 2.801 14.516 ( 2.911 1.025 -0.776) 3.183 14.925 ( -2.045 -3.002 -4.909) 6.107 15.228 ( 1.922 0.354 0.474) 2.011 15.489 ( 3.247 -1.407 -1.145) 3.719 ======================= Grid point 77 (35/148) ======================= q-point: (-0.44 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -9.244 4.541 -4.623) 11.289 1.272 ( -7.024 -0.293 -4.144) 8.160 1.356 ( -6.626 9.543 -3.893) 12.253 1.441 ( 3.669 6.316 -6.175) 9.565 1.546 ( 1.064 1.449 2.156) 2.807 1.775 ( 2.898 -2.560 7.975) 8.863 1.872 ( -0.160 2.225 4.486) 5.010 2.271 ( 5.877 -1.286 5.502) 8.152 2.449 ( 0.725 1.065 7.827) 7.932 2.547 ( -10.128 1.215 -4.122) 11.002 2.630 ( -0.283 -0.111 1.556) 1.585 2.818 ( -7.378 -6.686 -9.489) 13.754 2.874 ( 2.383 -3.284 -3.002) 5.047 3.278 ( 7.560 -2.484 -4.766) 9.276 3.345 ( 0.387 -1.977 -4.161) 4.623 3.539 ( -0.302 -3.839 -5.834) 6.991 3.608 ( -1.469 1.272 1.664) 2.558 3.710 ( -7.433 -1.692 7.561) 10.737 3.932 ( -2.646 0.311 -1.053) 2.865 3.989 ( 4.158 9.091 0.109) 9.998 4.191 ( 0.358 8.637 2.548) 9.013 4.448 ( 4.045 7.175 4.094) 9.198 4.521 ( -3.052 6.392 -1.360) 7.213 4.748 ( 1.698 -0.038 -7.627) 7.814 4.843 ( -10.201 -0.705 -4.647) 11.232 5.118 ( 7.165 3.472 12.703) 14.993 5.272 ( 1.782 -3.494 -9.066) 9.878 5.489 ( -2.378 -0.153 -6.874) 7.276 5.604 ( -2.438 -1.746 -9.674) 10.128 6.586 ( -2.875 -7.735 -5.389) 9.855 10.100 ( -2.485 2.056 1.523) 3.567 10.693 ( -0.298 -5.715 -2.497) 6.244 11.261 ( 1.014 1.219 -0.006) 1.586 11.305 ( -1.661 2.608 0.299) 3.107 12.433 ( 3.907 1.800 7.357) 8.522 13.055 ( 1.703 -4.223 0.111) 4.555 14.104 ( 0.037 6.587 1.247) 6.704 14.368 ( -0.501 2.028 -0.317) 2.113 14.521 ( -2.767 1.017 -0.725) 3.036 14.738 ( -7.902 -0.699 -10.354) 13.043 15.228 ( -2.476 0.203 0.738) 2.591 15.624 ( 9.132 -3.394 1.751) 9.898 ======================= Grid point 78 (36/148) ======================= q-point: (-0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -11.942 5.522 -3.809) 13.697 1.046 ( -14.023 5.774 -2.041) 15.302 1.265 ( -0.790 2.701 -4.364) 5.193 1.453 ( 2.568 8.522 -4.639) 10.037 1.604 ( 1.452 -1.883 3.309) 4.075 1.805 ( -2.213 -1.059 -1.393) 2.822 1.899 ( -2.857 1.266 2.996) 4.329 2.254 ( -13.225 2.592 2.921) 13.790 2.441 ( -7.322 0.188 4.452) 8.571 2.479 ( 2.778 0.399 5.452) 6.132 2.620 ( -3.125 -4.131 -1.569) 5.412 2.664 ( 1.154 -4.951 -1.171) 5.217 2.903 ( 1.697 -2.974 -1.493) 3.736 3.196 ( -4.737 9.743 -12.018) 16.180 3.366 ( 4.392 -5.802 -4.746) 8.688 3.448 ( -4.670 -7.009 -3.772) 9.228 3.616 ( 0.124 1.193 1.343) 1.801 3.630 ( -5.045 0.328 6.296) 8.074 3.851 ( -3.261 0.191 -1.659) 3.664 4.172 ( 7.354 10.031 0.308) 12.442 4.290 ( 8.715 -0.554 6.039) 10.617 4.440 ( -4.683 2.638 -4.892) 7.267 4.586 ( 5.644 9.221 8.065) 13.488 4.623 ( -6.182 4.784 -2.021) 8.074 4.732 ( 4.041 1.120 -7.667) 8.739 5.170 ( -1.459 -4.521 -15.076) 15.806 5.363 ( 1.076 1.198 -6.241) 6.445 5.409 ( 5.829 0.285 5.880) 8.285 5.499 ( 0.125 -1.390 -6.562) 6.709 6.448 ( -6.518 -5.477 -7.224) 11.165 10.047 ( -4.949 2.246 1.875) 5.749 10.653 ( -1.490 -5.083 -2.743) 5.965 11.298 ( 1.589 2.491 -1.343) 3.246 11.304 ( 3.130 1.496 0.349) 3.487 12.597 ( 5.320 -2.207 12.089) 13.391 13.120 ( 5.954 -4.036 -0.476) 7.209 14.102 ( -1.715 5.575 1.356) 5.988 14.336 ( -11.857 0.642 -5.826) 13.226 14.391 ( 1.943 5.221 0.659) 5.610 14.612 ( -0.900 1.684 -3.580) 4.058 15.158 ( -6.095 0.345 0.725) 6.147 15.772 ( 7.170 -6.204 -2.321) 9.761 ======================= Grid point 79 (37/148) ======================= q-point: (-0.22 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -11.892 9.225 0.848) 15.074 0.787 ( -14.956 8.958 1.731) 17.519 1.218 ( -3.520 -0.739 -1.510) 3.901 1.422 ( -6.082 13.948 0.659) 15.230 1.584 ( -4.753 -5.967 -0.536) 7.648 1.684 ( -7.630 7.578 -6.388) 12.508 1.834 ( 0.862 2.270 -0.071) 2.429 2.178 ( -4.140 0.364 10.581) 11.368 2.262 ( -9.175 -0.291 -1.419) 9.289 2.524 ( -9.107 -7.695 -2.964) 12.285 2.596 ( 1.998 -3.964 4.173) 6.093 2.720 ( 5.637 -3.473 0.072) 6.621 2.897 ( -1.480 -4.688 -1.230) 5.067 3.049 ( -1.516 9.778 -6.515) 11.847 3.319 ( -4.759 -7.746 -4.628) 10.201 3.404 ( 5.028 -2.073 -6.223) 8.265 3.610 ( -2.183 0.298 5.404) 5.836 3.665 ( 0.874 3.196 4.230) 5.373 3.765 ( -3.490 -0.043 -3.336) 4.828 4.265 ( 4.406 8.018 0.322) 9.154 4.297 ( -5.368 0.139 -3.126) 6.214 4.447 ( 1.586 -0.760 1.063) 2.055 4.616 ( 3.316 4.208 2.246) 5.809 4.761 ( 8.936 6.662 -3.343) 11.637 4.825 ( 6.141 0.665 10.001) 11.755 5.023 ( 3.216 4.338 -12.025) 13.182 5.228 ( -1.213 4.139 -16.711) 17.259 5.452 ( 2.522 -3.063 -1.275) 4.168 5.638 ( 4.564 -2.856 8.769) 10.290 6.260 ( -7.134 -1.616 -7.358) 10.375 9.973 ( -5.222 2.433 2.243) 6.182 10.605 ( -1.126 -4.583 -2.710) 5.442 11.322 ( 2.234 2.380 -0.410) 3.290 11.383 ( 5.495 3.639 0.393) 6.603 12.794 ( 2.353 -10.543 15.962) 19.274 13.263 ( 11.300 -2.968 0.233) 11.686 14.047 ( -7.525 1.919 -2.600) 8.189 14.097 ( -6.543 2.761 -1.911) 7.355 14.479 ( 4.446 9.159 4.026) 10.948 14.580 ( -1.224 1.682 -0.475) 2.133 15.052 ( -5.363 2.097 0.824) 5.817 15.794 ( 0.472 -8.254 -11.572) 14.222 ======================= Grid point 80 (38/148) ======================= q-point: (-0.11 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -8.131 12.030 8.250) 16.700 0.588 ( -11.031 12.699 7.923) 18.594 1.103 ( -6.843 0.438 1.303) 6.979 1.251 ( -16.142 28.696 13.988) 35.773 1.525 ( 2.285 -3.446 -4.617) 6.198 1.618 ( 3.142 1.474 -5.130) 6.194 1.862 ( 1.317 -0.005 -1.653) 2.114 2.125 ( -5.901 0.593 -0.146) 5.932 2.174 ( -7.401 -2.201 4.918) 9.155 2.273 ( -11.404 -2.158 -3.407) 12.096 2.620 ( -1.830 -5.128 1.578) 5.669 2.776 ( 0.210 -1.626 -2.871) 3.307 2.862 ( 0.161 -4.748 -1.327) 4.932 3.014 ( 1.157 3.108 -3.702) 4.970 3.235 ( -1.418 -10.354 -0.149) 10.451 3.458 ( 6.953 3.426 -6.799) 10.311 3.588 ( -3.403 4.720 0.434) 5.835 3.702 ( -0.341 1.590 4.104) 4.415 3.743 ( 0.942 -0.671 3.163) 3.367 4.234 ( -0.609 0.774 1.400) 1.712 4.337 ( 2.566 6.174 2.465) 7.126 4.422 ( -2.179 2.887 -1.207) 3.813 4.657 ( 1.114 1.740 -4.559) 5.005 4.751 ( -0.884 4.002 -8.337) 9.290 4.978 ( 6.252 -2.021 7.319) 9.836 5.061 ( 1.393 8.316 -15.399) 17.557 5.348 ( 19.010 3.065 16.402) 25.294 5.551 ( 6.947 -0.069 0.249) 6.952 5.707 ( 0.657 -9.256 5.538) 10.806 6.134 ( -1.460 2.810 -1.615) 3.555 9.914 ( -3.658 2.576 2.481) 5.116 10.574 ( 0.071 -4.375 -2.617) 5.099 11.370 ( 2.110 1.868 2.255) 3.609 11.527 ( 11.562 6.578 1.723) 13.413 12.872 ( -11.285 -19.593 16.072) 27.741 13.519 ( 15.428 -5.302 1.178) 16.356 13.882 ( -5.940 1.033 -1.350) 6.179 14.016 ( -4.838 1.142 -0.634) 5.011 14.513 ( -4.416 2.537 2.224) 5.557 14.571 ( -2.698 1.898 1.415) 3.590 15.104 ( 12.929 8.903 4.091) 16.222 15.535 ( -13.126 -0.097 -23.711) 27.102 ======================= Grid point 81 (39/148) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.236 11.690 1.711) 11.816 0.863 ( 2.012 12.707 0.261) 12.868 1.072 ( -0.006 4.070 3.296) 5.237 1.453 ( 2.593 -3.465 1.817) 4.694 1.657 ( 1.775 2.280 0.415) 2.919 1.810 ( 4.083 -6.657 -5.622) 9.623 1.963 ( 0.810 26.069 13.610) 29.419 2.088 ( -1.097 3.024 -3.150) 4.502 2.156 ( 2.473 1.972 4.693) 5.659 2.230 ( -4.173 6.281 0.205) 7.544 2.505 ( -3.739 -1.352 1.671) 4.313 2.690 ( -0.275 -3.047 -0.936) 3.200 2.745 ( -2.967 -2.822 -4.009) 5.731 2.979 ( 4.425 -8.619 0.685) 9.713 3.077 ( 0.702 -3.737 0.047) 3.802 3.533 ( -0.168 -1.856 -5.203) 5.527 3.682 ( 2.329 3.434 1.079) 4.287 3.750 ( 0.432 1.114 3.860) 4.041 3.856 ( 1.382 6.422 5.190) 8.371 4.311 ( 2.230 1.613 4.500) 5.275 4.475 ( 1.830 2.248 -4.151) 5.063 4.547 ( 1.358 5.549 5.425) 7.879 4.687 ( -2.505 5.074 -0.572) 5.687 4.796 ( -0.753 3.141 3.251) 4.583 4.961 ( 3.615 -5.072 -2.618) 6.756 5.195 ( 6.060 -4.018 -6.354) 9.656 5.300 ( -6.647 1.033 7.372) 9.980 5.631 ( 1.443 3.562 -0.568) 3.885 5.800 ( 8.571 -9.570 9.337) 15.882 6.100 ( -0.574 -4.899 -0.445) 4.953 9.975 ( -1.025 5.024 2.210) 5.583 10.429 ( 0.111 -7.557 -0.269) 7.563 11.476 ( 0.681 3.983 1.566) 4.334 11.752 ( 3.986 -3.467 1.139) 5.404 12.664 ( -8.898 9.713 5.640) 14.329 13.469 ( -1.158 -9.855 -3.166) 10.415 13.901 ( 3.412 1.962 1.609) 4.252 13.983 ( 2.309 0.102 1.866) 2.970 14.469 ( -3.079 2.521 1.468) 4.241 14.553 ( -1.177 0.835 -0.448) 1.511 15.239 ( -5.220 4.636 -4.432) 8.270 15.506 ( 9.010 -2.271 -3.509) 9.932 ======================= Grid point 82 (40/148) ======================= q-point: ( 0.11 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 6.847 5.645 5.030) 10.201 0.969 ( 10.074 8.756 0.117) 13.348 1.165 ( 6.344 4.374 4.704) 9.028 1.489 ( -0.223 0.756 3.483) 3.571 1.691 ( 1.912 3.708 -0.407) 4.191 1.858 ( 5.608 -5.433 -3.693) 8.638 2.010 ( -3.568 3.676 -2.913) 5.893 2.137 ( -1.644 11.739 4.179) 12.569 2.199 ( 5.351 4.862 4.337) 8.431 2.270 ( 4.220 6.976 6.942) 10.708 2.438 ( -1.496 3.373 -1.513) 3.988 2.650 ( -2.805 -4.631 1.527) 5.625 2.744 ( 4.125 -3.059 -3.098) 5.998 3.064 ( 5.342 -5.450 -2.083) 7.910 3.103 ( 2.709 -7.456 -1.894) 8.156 3.487 ( -0.474 -1.833 -3.088) 3.623 3.712 ( -1.104 2.365 1.136) 2.846 3.775 ( -0.877 0.648 3.797) 3.950 3.932 ( 1.184 8.219 7.588) 11.249 4.366 ( -0.968 2.343 1.207) 2.808 4.483 ( 2.908 2.790 -3.188) 5.138 4.565 ( -1.501 6.424 2.365) 7.008 4.691 ( 1.017 6.171 3.760) 7.297 4.774 ( -3.509 6.204 1.939) 7.387 5.002 ( -0.775 -4.367 0.408) 4.454 5.179 ( -0.975 -7.620 3.513) 8.447 5.340 ( 2.999 4.043 3.010) 5.866 5.639 ( -1.824 1.585 2.234) 3.291 5.936 ( -2.292 -9.324 8.091) 12.556 6.114 ( 4.563 -7.879 -2.295) 9.390 9.996 ( 1.283 4.895 2.128) 5.489 10.440 ( 1.462 -7.459 -0.295) 7.606 11.482 ( -1.859 3.564 2.031) 4.504 11.740 ( -7.033 -4.364 3.562) 9.011 12.559 ( -5.624 12.310 1.258) 13.593 13.320 ( -10.228 -7.798 -2.038) 13.022 14.043 ( 9.060 1.514 3.340) 9.774 14.103 ( 7.180 1.308 1.539) 7.459 14.484 ( 3.061 2.659 0.063) 4.056 14.560 ( 2.462 0.643 0.309) 2.563 15.129 ( -3.082 6.971 -1.799) 7.832 15.598 ( 4.257 -7.086 -4.634) 9.476 ======================= Grid point 83 (41/148) ======================= q-point: ( 0.22 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 8.633 2.779 5.311) 10.510 1.189 ( 12.963 1.068 -0.212) 13.009 1.314 ( 3.148 4.724 9.502) 11.069 1.537 ( 2.949 4.857 2.153) 6.076 1.714 ( 3.257 5.016 -4.526) 7.500 1.884 ( -7.051 4.526 -1.161) 8.458 1.943 ( 3.329 -1.930 0.604) 3.895 2.086 ( -0.745 5.831 -2.659) 6.452 2.286 ( 4.214 -2.458 0.394) 4.895 2.375 ( 0.947 2.749 -2.787) 4.027 2.515 ( 6.820 4.061 4.675) 9.212 2.656 ( 0.988 -1.813 4.104) 4.594 2.803 ( 3.508 1.064 2.289) 4.322 3.108 ( 2.660 -8.505 -6.019) 10.754 3.130 ( 4.322 -5.311 -4.990) 8.473 3.475 ( 0.979 -3.125 -1.014) 3.428 3.669 ( -3.763 1.995 0.800) 4.333 3.777 ( -2.408 0.218 2.801) 3.700 4.013 ( 0.393 8.224 7.193) 10.933 4.331 ( -1.617 7.177 1.776) 7.568 4.474 ( -1.448 3.442 -3.823) 5.344 4.571 ( -1.595 8.688 -0.126) 8.834 4.696 ( -0.431 3.309 2.299) 4.052 4.778 ( -1.384 3.746 4.811) 6.252 4.982 ( -0.620 -1.078 5.125) 5.274 5.218 ( -1.399 -0.693 -0.889) 1.796 5.364 ( -1.545 -2.026 2.868) 3.837 5.636 ( -0.933 1.280 3.923) 4.230 5.883 ( -8.096 -4.195 3.984) 9.951 6.210 ( 7.400 -12.543 -1.978) 14.697 10.050 ( 2.831 4.562 1.938) 5.708 10.473 ( 2.428 -7.426 -0.188) 7.815 11.445 ( -4.077 3.004 1.664) 5.330 11.616 ( -9.893 -1.634 4.273) 10.899 12.491 ( -2.596 9.810 -1.050) 10.202 13.137 ( -8.978 -7.665 -0.747) 11.829 14.167 ( 3.516 4.650 0.598) 5.860 14.282 ( 10.418 0.643 2.291) 10.686 14.518 ( 0.129 4.194 0.284) 4.206 14.657 ( 6.742 -0.433 2.405) 7.171 15.116 ( 2.321 4.394 -0.029) 4.969 15.575 ( -1.096 -7.449 -6.233) 9.774 ======================= Grid point 84 (42/148) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 6.763 0.824 3.130) 7.497 1.330 ( 4.307 -3.429 1.278) 5.652 1.460 ( 3.687 4.925 6.439) 8.906 1.577 ( -2.137 3.335 2.396) 4.629 1.732 ( -2.808 12.464 -4.933) 13.696 1.739 ( 2.479 1.075 -5.076) 5.751 1.994 ( -2.431 10.596 5.676) 12.264 2.096 ( 4.698 0.799 -1.199) 4.914 2.335 ( -0.879 3.165 -2.983) 4.437 2.445 ( 12.846 -5.985 1.237) 14.226 2.594 ( 1.382 -5.078 -1.058) 5.368 2.707 ( 0.796 -1.032 1.231) 1.793 2.895 ( 1.730 -2.295 2.808) 4.018 3.044 ( -1.600 -7.623 -7.479) 10.798 3.200 ( 7.757 -1.739 -3.541) 8.703 3.487 ( 1.124 -3.982 -1.718) 4.480 3.629 ( -1.434 1.571 1.740) 2.748 3.739 ( -4.294 -0.123 2.698) 5.072 4.047 ( -1.313 7.682 3.402) 8.504 4.371 ( -4.014 6.271 -0.438) 7.459 4.379 ( -0.059 7.512 4.655) 8.838 4.551 ( 0.096 9.906 -0.648) 9.927 4.697 ( -2.006 1.557 2.147) 3.326 4.774 ( -1.438 -2.971 -0.407) 3.326 5.064 ( 1.493 -0.803 6.782) 6.990 5.088 ( -5.982 13.122 -4.769) 15.189 5.360 ( -2.878 -5.850 0.976) 6.592 5.636 ( -2.247 0.276 0.567) 2.333 5.766 ( -5.957 -1.327 -0.604) 6.133 6.311 ( 5.630 -15.292 -1.747) 16.389 10.117 ( 2.777 4.140 1.705) 5.268 10.516 ( 2.355 -7.494 0.037) 7.856 11.375 ( -4.778 2.520 0.853) 5.469 11.492 ( -7.571 0.187 2.861) 8.096 12.450 ( -1.085 7.745 -0.672) 7.849 13.004 ( -5.685 -7.551 -0.458) 9.464 14.219 ( 2.733 7.362 -0.251) 7.857 14.446 ( 6.973 0.123 0.265) 6.979 14.497 ( -3.060 4.405 1.331) 5.526 14.799 ( 5.832 -2.779 2.595) 6.962 15.184 ( 4.532 2.172 0.111) 5.026 15.482 ( -2.618 -4.909 -5.870) 8.088 ======================= Grid point 85 (43/148) ======================= q-point: ( 0.44 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -1.539 0.299 -2.133) 2.647 1.374 ( -2.546 -1.971 -1.954) 3.766 1.472 ( -3.522 2.145 -0.897) 4.220 1.567 ( 2.910 -0.045 4.882) 5.684 1.694 ( -1.369 8.860 -0.002) 8.965 1.740 ( 2.648 8.912 -6.730) 11.478 2.009 ( -1.632 12.810 4.843) 13.791 2.155 ( 2.115 0.780 1.504) 2.710 2.372 ( 4.256 2.556 5.334) 7.287 2.582 ( -0.501 -3.685 -1.008) 3.853 2.675 ( 3.922 -3.792 -4.889) 7.325 2.708 ( 4.813 -3.202 4.016) 7.039 2.817 ( -3.779 -11.041 -9.265) 14.900 3.032 ( 2.830 -4.571 -0.038) 5.376 3.308 ( 6.346 -0.182 -2.157) 6.705 3.473 ( -0.663 -5.342 -3.032) 6.178 3.643 ( 0.590 1.300 1.084) 1.793 3.693 ( -3.866 -0.649 4.975) 6.334 4.042 ( -1.783 7.204 1.823) 7.642 4.269 ( -4.890 8.443 -1.663) 9.898 4.397 ( -3.233 3.784 0.347) 4.990 4.578 ( 1.300 11.577 3.864) 12.273 4.666 ( -2.738 -0.996 -1.026) 3.089 4.731 ( 0.181 -1.214 -2.415) 2.709 4.982 ( -2.427 9.257 -2.959) 10.017 5.150 ( 1.437 4.005 5.470) 6.930 5.269 ( -4.440 -1.499 -3.484) 5.839 5.572 ( -2.882 0.076 -3.923) 4.868 5.668 ( -3.035 -2.275 -5.679) 6.829 6.365 ( 2.316 -15.778 -2.258) 16.106 10.164 ( 0.768 3.849 1.583) 4.232 10.547 ( 0.958 -7.522 0.203) 7.585 11.311 ( -2.605 2.169 0.059) 3.390 11.402 ( -4.447 1.057 0.657) 4.618 12.448 ( 0.847 6.148 0.938) 6.276 12.934 ( -1.845 -7.248 -0.570) 7.501 14.262 ( 2.379 9.461 -0.146) 9.756 14.446 ( -3.251 3.282 0.861) 4.699 14.534 ( 3.029 0.428 0.184) 3.064 14.840 ( -1.947 -4.974 -3.486) 6.378 15.246 ( 1.934 1.488 -0.139) 2.444 15.443 ( 2.642 -2.868 -1.080) 4.047 ======================= Grid point 86 (44/148) ======================= q-point: (-0.44 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -7.090 2.572 -5.750) 9.484 1.249 ( -6.112 -1.606 -5.093) 8.116 1.468 ( 0.313 0.422 0.234) 0.575 1.558 ( -6.976 6.249 -0.331) 9.372 1.690 ( 4.545 6.985 -4.519) 9.480 1.778 ( 2.490 4.134 1.731) 5.127 1.972 ( -4.012 7.637 1.809) 8.815 2.249 ( 3.046 0.365 5.955) 6.699 2.464 ( -0.776 -1.925 1.830) 2.767 2.528 ( -7.727 -4.900 -2.050) 9.376 2.591 ( 1.502 -0.435 0.583) 1.668 2.715 ( -2.552 -1.748 -4.565) 5.514 2.841 ( 2.637 0.043 1.177) 2.888 3.120 ( 7.332 -8.410 -0.759) 11.183 3.373 ( 3.976 0.374 -3.068) 5.036 3.408 ( -3.705 -6.591 -3.480) 8.324 3.642 ( -0.849 1.255 1.244) 1.960 3.689 ( -3.298 -0.272 4.371) 5.483 3.979 ( -6.501 4.533 -1.476) 8.062 4.205 ( 2.488 8.823 -2.167) 9.420 4.358 ( -0.463 5.906 1.035) 6.014 4.629 ( 0.400 8.385 0.822) 8.435 4.633 ( 1.259 1.952 -1.195) 2.612 4.726 ( 1.379 0.855 -3.150) 3.543 4.843 ( -8.601 1.169 -4.566) 9.808 5.173 ( -1.208 -5.733 -7.450) 9.478 5.289 ( 5.948 12.316 9.681) 16.757 5.481 ( -1.461 -0.534 -8.346) 8.490 5.556 ( -2.426 -2.548 -9.388) 10.025 6.352 ( -1.092 -13.912 -3.234) 14.325 10.164 ( -2.325 3.898 1.674) 4.837 10.548 ( -1.082 -7.403 0.100) 7.482 11.296 ( 1.171 1.878 -0.405) 2.250 11.352 ( -0.886 1.461 -1.317) 2.158 12.497 ( 2.796 4.274 3.069) 5.959 12.932 ( 2.221 -7.068 -0.836) 7.456 14.275 ( -1.844 8.501 0.159) 8.700 14.432 ( 1.624 3.845 0.891) 4.268 14.539 ( -3.930 0.490 -0.175) 3.964 14.716 ( -3.770 -1.534 -7.186) 8.259 15.244 ( -2.128 1.481 0.174) 2.599 15.528 ( 5.562 -5.384 0.902) 7.794 ======================= Grid point 87 (45/148) ======================= q-point: (-0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -6.192 6.527 -4.939) 10.263 1.105 ( -5.716 0.760 -3.941) 6.984 1.353 ( -9.073 3.434 -1.747) 9.857 1.535 ( 0.994 2.740 1.017) 3.087 1.669 ( -3.172 3.537 -5.980) 7.638 1.783 ( 0.339 0.161 -4.040) 4.058 1.982 ( 1.524 5.890 5.342) 8.097 2.249 ( -5.286 -2.600 -1.091) 5.991 2.391 ( -3.177 -5.763 -2.388) 7.001 2.494 ( -2.766 1.750 6.178) 6.991 2.589 ( -2.948 0.088 0.846) 3.068 2.638 ( -3.713 2.689 1.479) 4.817 2.857 ( -0.955 0.499 0.803) 1.344 3.209 ( 2.214 -5.698 -1.661) 6.335 3.289 ( -6.883 -6.701 -2.196) 9.854 3.418 ( 6.359 5.381 -6.222) 10.398 3.609 ( -4.839 0.591 0.787) 4.938 3.664 ( 0.424 1.049 1.619) 1.975 3.866 ( -3.709 2.118 -2.602) 5.001 4.298 ( 4.733 1.029 3.277) 5.848 4.399 ( 5.535 8.804 -2.374) 10.667 4.520 ( -6.857 5.963 -5.672) 10.712 4.674 ( 4.319 -5.308 -5.955) 9.071 4.743 ( -0.481 5.944 1.023) 6.050 4.764 ( 1.452 5.038 5.812) 7.827 5.065 ( -1.168 -5.158 -8.938) 10.386 5.388 ( 1.014 0.137 -12.518) 12.560 5.435 ( -1.898 -0.787 -6.715) 7.022 5.499 ( 7.018 6.198 7.276) 11.858 6.279 ( -3.451 -10.227 -4.085) 11.541 10.117 ( -4.577 4.225 1.870) 6.504 10.516 ( -2.321 -7.277 -0.163) 7.640 11.340 ( 2.997 1.769 -0.344) 3.497 11.355 ( 3.955 2.219 -2.281) 5.076 12.589 ( 3.491 1.981 5.250) 6.608 12.999 ( 6.542 -7.056 -1.038) 9.678 14.211 ( -4.604 4.464 -0.629) 6.444 14.350 ( -11.010 0.386 -4.539) 11.915 14.532 ( 5.050 6.950 2.944) 9.082 14.654 ( -0.660 1.977 -1.891) 2.814 15.182 ( -4.633 2.317 0.207) 5.184 15.610 ( 3.587 -8.499 -1.662) 9.373 ======================= Grid point 88 (46/148) ======================= q-point: (-0.22 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -4.174 13.005 -1.634) 13.756 0.979 ( -7.074 8.454 0.576) 11.038 1.209 ( -6.774 0.139 -0.433) 6.790 1.459 ( -6.822 -3.896 -4.153) 8.887 1.606 ( 2.120 2.229 -2.496) 3.962 1.781 ( 3.242 -1.058 -4.663) 5.777 2.029 ( -1.301 12.932 0.693) 13.016 2.164 ( -3.396 -2.033 0.225) 3.964 2.251 ( -9.519 -1.223 1.287) 9.684 2.454 ( -8.967 3.313 2.734) 9.943 2.531 ( -1.966 -2.611 1.303) 3.519 2.657 ( 1.763 -0.237 4.388) 4.735 2.828 ( -1.354 -0.898 -1.707) 2.357 3.129 ( -8.428 -6.641 -0.933) 10.771 3.173 ( -4.804 -0.874 -1.610) 5.141 3.481 ( 8.168 8.126 -9.914) 15.200 3.594 ( 1.332 -3.689 3.885) 5.521 3.699 ( 1.846 -0.148 0.256) 1.869 3.791 ( -3.073 3.747 -0.687) 4.894 4.310 ( -3.314 1.257 -2.583) 4.385 4.433 ( 2.193 2.585 -0.122) 3.392 4.490 ( 2.322 8.596 -0.333) 8.910 4.707 ( 3.471 -5.750 -5.441) 8.643 4.774 ( 1.690 7.086 2.302) 7.640 4.793 ( 1.116 -4.567 0.146) 4.704 5.111 ( 8.437 2.228 5.467) 10.297 5.291 ( 2.530 1.195 -17.964) 18.181 5.380 ( 1.297 -2.972 -1.920) 3.769 5.647 ( 2.590 4.357 5.177) 7.245 6.182 ( -3.408 -5.927 -3.564) 7.711 10.049 ( -4.803 4.616 2.057) 6.972 10.473 ( -2.187 -7.322 -0.282) 7.647 11.382 ( 3.363 3.011 -0.955) 4.614 11.457 ( 8.112 2.498 -0.746) 8.521 12.687 ( 1.323 0.496 6.789) 6.934 13.146 ( 11.281 -7.506 -0.698) 13.568 14.089 ( -9.123 2.158 -2.996) 9.842 14.148 ( -6.575 1.778 -2.096) 7.126 14.616 ( -2.423 2.928 1.389) 4.047 14.636 ( 0.117 3.645 3.588) 5.116 15.129 ( 0.293 5.116 0.500) 5.149 15.607 ( -0.434 -8.817 -6.306) 10.848 ======================= Grid point 89 (47/148) ======================= q-point: (-0.11 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -3.236 16.242 -0.135) 16.562 0.893 ( -5.566 14.720 3.518) 16.125 1.095 ( -4.983 -0.215 1.047) 5.097 1.395 ( 2.276 -5.957 -1.836) 6.636 1.627 ( 1.964 1.772 -1.112) 2.870 1.800 ( 2.874 -4.374 -4.465) 6.879 1.948 ( -7.200 24.643 4.852) 26.128 2.119 ( -1.016 -0.237 -2.591) 2.793 2.149 ( -5.101 -1.348 4.011) 6.628 2.320 ( -6.794 6.378 0.997) 9.372 2.519 ( -1.342 -3.128 2.608) 4.288 2.701 ( 0.516 -3.379 -1.037) 3.572 2.816 ( -1.037 1.142 2.379) 2.835 2.974 ( -5.020 -11.462 -3.891) 13.104 3.094 ( -3.151 0.345 0.520) 3.212 3.537 ( 5.291 2.414 -5.564) 8.049 3.658 ( 1.219 -3.995 0.182) 4.181 3.702 ( 1.208 4.241 -0.020) 4.410 3.794 ( 0.981 5.269 4.344) 6.899 4.265 ( -0.279 2.315 1.018) 2.544 4.468 ( 2.455 0.237 -2.088) 3.232 4.501 ( -0.352 7.308 1.670) 7.505 4.701 ( -0.079 1.069 1.085) 1.525 4.787 ( -1.108 2.801 2.564) 3.956 4.898 ( 7.779 -6.033 -3.223) 10.358 5.191 ( 3.347 3.372 -15.115) 15.844 5.293 ( 1.498 -3.447 8.586) 9.372 5.508 ( 11.577 -4.177 6.390) 13.867 5.666 ( -1.312 4.206 -0.393) 4.423 6.121 ( -1.379 -3.786 -0.987) 4.148 9.994 ( -3.311 4.921 2.185) 6.321 10.441 ( -1.188 -7.494 -0.255) 7.592 11.436 ( 2.808 3.871 0.418) 4.800 11.613 ( 9.805 1.228 -0.054) 9.881 12.728 ( -4.053 2.892 7.335) 8.865 13.360 ( 12.713 -9.354 -0.858) 15.807 13.923 ( -5.914 2.489 -1.388) 6.565 14.034 ( -6.049 0.293 -0.559) 6.082 14.550 ( -6.448 1.740 2.348) 7.079 14.603 ( -4.649 1.130 1.089) 4.907 15.231 ( 7.895 4.368 1.642) 9.171 15.499 ( -2.619 -3.126 -9.728) 10.548 ======================= Grid point 90 (48/148) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -1.668 3.804 -3.805) 5.633 1.015 ( -1.378 0.473 -3.217) 3.532 1.282 ( 3.532 14.352 0.840) 14.804 1.475 ( 5.565 4.935 4.445) 8.665 1.584 ( 0.999 -10.358 -0.751) 10.433 1.627 ( 3.119 -7.132 1.834) 7.998 2.171 ( 4.976 3.098 -1.255) 5.994 2.189 ( 5.543 1.559 -1.484) 5.946 2.338 ( -5.348 7.063 6.802) 11.169 2.367 ( -5.038 7.126 0.482) 8.740 2.456 ( -2.516 -2.348 2.066) 4.014 2.613 ( -2.796 -10.806 -5.011) 12.235 2.755 ( 3.059 7.612 -0.804) 8.243 2.906 ( 1.782 -3.102 1.712) 3.966 3.039 ( -2.288 8.743 1.516) 9.164 3.354 ( -1.544 -14.003 0.667) 14.104 3.744 ( 2.004 2.368 1.122) 3.299 3.771 ( 0.801 -0.016 1.546) 1.741 4.086 ( 1.876 14.860 6.107) 16.175 4.364 ( 0.493 0.431 2.472) 2.557 4.414 ( 3.631 -6.247 5.183) 8.892 4.508 ( 1.245 -8.780 -0.943) 8.918 4.769 ( 1.125 3.723 3.916) 5.519 4.819 ( 2.306 0.228 2.417) 3.349 4.978 ( -0.679 6.069 -3.212) 6.900 5.097 ( -1.290 -4.411 -7.171) 8.517 5.420 ( 3.377 7.446 7.083) 10.817 5.597 ( 6.332 -8.886 8.861) 14.056 5.767 ( -1.481 8.030 -2.366) 8.501 5.953 ( -1.430 -8.577 -2.101) 8.946 10.102 ( -0.794 6.882 1.697) 7.132 10.261 ( -0.453 -7.907 0.961) 7.978 11.570 ( 0.919 4.638 0.854) 4.805 11.667 ( 1.386 -4.393 0.884) 4.691 12.927 ( -2.444 13.849 1.102) 14.106 13.220 ( -0.611 -13.215 -1.266) 13.289 13.942 ( 2.556 1.775 1.692) 3.542 13.973 ( 2.032 -1.040 1.725) 2.861 14.524 ( -2.217 2.328 0.878) 3.332 14.557 ( -1.602 -0.667 0.121) 1.740 15.335 ( -0.744 4.566 -2.675) 5.344 15.432 ( 2.987 -4.348 -2.410) 5.800 ======================= Grid point 91 (49/148) ======================= q-point: ( 0.11 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 5.970 2.331 -0.428) 6.423 1.034 ( 6.082 -1.103 -2.301) 6.596 1.370 ( 5.110 12.667 2.926) 13.969 1.578 ( 2.879 5.722 6.163) 8.889 1.626 ( 3.561 -8.435 -0.894) 9.199 1.726 ( 5.216 -6.107 3.066) 8.597 2.137 ( -5.421 6.596 -3.312) 9.158 2.210 ( -5.429 -0.292 -0.173) 5.440 2.336 ( 3.927 5.409 0.898) 6.744 2.380 ( 3.984 1.927 1.659) 4.726 2.451 ( 0.637 -0.627 0.570) 1.060 2.552 ( 0.866 -6.187 -3.808) 7.316 2.823 ( 3.472 4.545 1.171) 5.838 2.943 ( 1.998 -7.651 -3.303) 8.569 3.056 ( 2.401 11.197 2.602) 11.744 3.346 ( 0.010 -11.588 0.422) 11.595 3.760 ( -1.654 1.790 1.449) 2.835 3.780 ( -1.547 -0.176 2.383) 2.846 4.174 ( 0.780 13.951 8.119) 16.160 4.395 ( -0.563 -1.501 3.631) 3.969 4.502 ( 3.151 -0.775 -1.604) 3.619 4.545 ( 2.237 -7.885 5.077) 9.641 4.825 ( 1.309 5.444 2.687) 6.210 4.860 ( -1.138 1.432 1.685) 2.487 4.939 ( -1.969 2.397 1.074) 3.283 5.040 ( -1.357 -5.893 3.594) 7.034 5.522 ( 2.985 10.567 2.501) 11.262 5.720 ( -1.972 4.141 0.094) 4.587 5.742 ( 1.518 -6.988 7.104) 10.080 5.914 ( -0.026 -10.223 -3.425) 10.782 10.120 ( 1.150 6.712 1.675) 7.013 10.275 ( 1.106 -7.749 0.969) 7.888 11.565 ( -2.596 4.104 1.523) 5.089 11.652 ( -4.193 -4.078 1.873) 6.142 12.837 ( -6.983 13.394 -0.248) 15.107 13.109 ( -8.806 -11.752 -1.415) 14.753 14.075 ( 8.907 1.473 3.169) 9.568 14.102 ( 8.673 -0.927 2.606) 9.104 14.537 ( 3.097 2.164 0.046) 3.779 14.566 ( 2.628 -0.442 -0.064) 2.666 15.283 ( -2.137 7.496 -2.232) 8.108 15.443 ( 0.518 -7.453 -2.730) 7.954 ======================= Grid point 92 (50/148) ======================= q-point: ( 0.22 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 7.786 0.616 2.655) 8.249 1.153 ( 7.514 -1.857 0.242) 7.744 1.497 ( 4.407 9.644 5.397) 11.897 1.651 ( -0.878 -0.370 1.942) 2.164 1.717 ( 7.309 2.307 1.700) 7.851 1.851 ( 6.112 -6.159 2.058) 8.918 2.021 ( -2.965 6.267 -2.740) 7.455 2.118 ( -0.797 -2.824 -1.362) 3.234 2.394 ( 0.176 9.953 -1.226) 10.030 2.428 ( 2.360 2.267 -2.051) 3.861 2.474 ( 1.743 -2.970 -0.566) 3.490 2.590 ( 5.414 -5.565 -2.051) 8.031 2.857 ( -1.193 -0.645 0.839) 1.595 2.927 ( 0.789 -7.388 -5.951) 9.520 3.145 ( 5.101 9.593 2.251) 11.095 3.360 ( 1.059 -8.293 0.591) 8.381 3.720 ( -3.530 2.387 1.153) 4.415 3.761 ( -2.812 -1.418 2.039) 3.752 4.232 ( -1.865 11.295 7.409) 13.636 4.403 ( -2.233 -2.131 4.782) 5.692 4.528 ( 1.956 2.680 -2.400) 4.095 4.621 ( 1.559 -5.792 2.481) 6.491 4.769 ( -4.176 5.894 -2.096) 7.521 4.836 ( -3.141 0.270 0.228) 3.161 4.987 ( 1.707 3.921 9.141) 10.092 5.113 ( 2.051 -6.917 7.380) 10.321 5.543 ( 0.610 14.205 -4.800) 15.006 5.690 ( -2.832 3.722 3.364) 5.761 5.780 ( -3.613 -5.245 5.370) 8.330 5.907 ( 2.913 -15.116 -3.954) 15.894 10.166 ( 2.400 6.280 1.632) 6.918 10.313 ( 2.100 -7.387 1.033) 7.749 11.511 ( -4.980 3.027 1.648) 6.056 11.570 ( -6.671 -2.531 2.309) 7.500 12.717 ( -5.661 11.056 -1.126) 12.471 12.945 ( -7.927 -10.156 -1.252) 12.944 14.239 ( 6.542 2.505 2.140) 7.325 14.278 ( 8.646 -1.076 2.427) 9.044 14.599 ( 2.860 3.079 -0.032) 4.202 14.643 ( 5.244 -1.161 0.973) 5.459 15.243 ( -0.200 7.271 -1.529) 7.433 15.409 ( -1.020 -8.042 -3.460) 8.814 ======================= Grid point 93 (51/148) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 5.103 -0.542 1.948) 5.489 1.283 ( 6.009 -1.280 2.945) 6.813 1.558 ( -2.464 3.815 3.556) 5.768 1.608 ( -5.626 -0.667 1.574) 5.880 1.808 ( 4.374 5.009 -2.882) 7.247 1.886 ( 1.018 0.008 -4.240) 4.361 2.107 ( 9.617 5.787 4.166) 11.972 2.229 ( 10.341 -0.098 2.224) 10.578 2.364 ( 0.717 2.770 -1.494) 3.228 2.424 ( -0.180 4.583 -3.490) 5.763 2.491 ( 1.027 -1.877 -1.345) 2.527 2.650 ( 2.368 -5.922 -2.808) 6.969 2.798 ( -3.805 -2.181 -3.362) 5.526 2.884 ( -0.697 -7.612 -2.010) 7.904 3.253 ( 4.973 5.749 1.109) 7.682 3.383 ( 0.844 -5.770 -0.111) 5.833 3.677 ( -2.351 2.431 1.482) 3.692 3.720 ( -3.337 -1.564 1.510) 3.983 4.236 ( -3.582 9.389 5.461) 11.437 4.398 ( -3.480 -4.226 5.244) 7.581 4.509 ( -2.212 5.139 -2.488) 6.123 4.613 ( -1.450 -5.216 -1.634) 5.655 4.742 ( 1.166 5.686 0.688) 5.845 4.789 ( -1.677 1.366 -0.091) 2.165 5.083 ( 0.920 2.750 5.811) 6.494 5.174 ( -0.864 -5.021 2.800) 5.813 5.500 ( 0.058 18.024 -4.203) 18.508 5.656 ( -3.299 1.455 0.086) 3.607 5.724 ( -5.109 -1.905 0.981) 5.540 5.938 ( 3.361 -19.105 -2.222) 19.525 10.223 ( 2.277 5.766 1.604) 6.403 10.359 ( 1.974 -7.012 1.178) 7.380 11.430 ( -5.278 2.484 1.057) 5.929 11.475 ( -5.895 -1.642 1.594) 6.324 12.631 ( -2.922 9.051 -1.308) 9.600 12.825 ( -4.558 -9.013 -1.302) 10.184 14.349 ( 5.088 4.781 0.889) 7.038 14.424 ( 6.224 -2.267 1.285) 6.748 14.613 ( -1.614 5.867 0.160) 6.087 14.724 ( 2.072 -4.402 0.935) 4.954 15.256 ( 2.679 4.577 -1.048) 5.406 15.368 ( 0.046 -5.599 -3.129) 6.414 ======================= Grid point 94 (52/148) ======================= q-point: ( 0.44 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -1.661 -0.293 -1.037) 1.980 1.336 ( -2.468 -1.415 -1.841) 3.388 1.518 ( -2.318 1.950 0.972) 3.181 1.550 ( -0.362 -1.103 3.314) 3.512 1.844 ( 1.567 4.989 -0.995) 5.323 1.882 ( 1.899 2.262 -4.214) 5.146 2.222 ( -0.302 6.853 -3.169) 7.556 2.312 ( 0.546 12.648 0.013) 12.660 2.414 ( -0.400 -5.004 -1.922) 5.376 2.481 ( 8.657 -1.299 1.505) 8.882 2.530 ( 1.402 -4.739 -2.322) 5.460 2.614 ( 1.502 -6.177 3.609) 7.310 2.744 ( 1.429 2.794 -1.285) 3.392 2.882 ( 1.313 -8.671 -0.400) 8.779 3.321 ( 2.792 1.542 -1.194) 3.405 3.375 ( -1.196 -3.549 -1.204) 3.934 3.668 ( -0.491 0.970 1.553) 1.896 3.683 ( -2.411 -0.468 2.362) 3.408 4.200 ( -4.793 7.621 2.955) 9.476 4.350 ( -6.545 -5.635 2.399) 8.964 4.451 ( 0.193 7.242 -2.605) 7.698 4.584 ( 0.370 -5.119 -3.021) 5.956 4.773 ( 0.743 4.679 0.753) 4.797 4.783 ( 1.055 3.246 0.563) 3.459 5.070 ( -5.467 2.320 -2.201) 6.333 5.135 ( -3.021 -3.733 -1.875) 5.155 5.497 ( 1.879 15.154 -1.218) 15.319 5.577 ( -2.802 0.461 -5.470) 6.163 5.639 ( -3.347 2.628 -2.112) 4.751 5.979 ( 2.541 -19.908 -0.538) 20.077 10.263 ( 0.545 5.432 1.648) 5.703 10.393 ( 0.508 -6.786 1.342) 6.936 11.359 ( -2.998 2.240 -0.004) 3.743 11.399 ( -3.513 -1.242 0.023) 3.727 12.596 ( -0.059 7.650 -0.893) 7.702 12.767 ( -0.949 -8.219 -1.331) 8.380 14.440 ( 4.823 5.918 0.515) 7.652 14.509 ( 0.572 -0.575 1.756) 1.934 14.559 ( -2.149 5.539 -1.134) 6.049 14.712 ( -2.553 -7.058 -2.229) 7.830 15.295 ( 1.932 3.132 -0.664) 3.739 15.371 ( 2.129 -3.718 -0.950) 4.388 ======================= Grid point 95 (53/148) ======================= q-point: (-0.44 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -5.035 -0.485 -5.817) 7.709 1.217 ( -5.414 -0.970 -4.999) 7.433 1.521 ( -1.139 3.614 2.139) 4.351 1.582 ( -1.194 -1.751 3.238) 3.870 1.837 ( -1.329 4.998 -2.116) 5.588 1.865 ( 0.398 2.470 -4.820) 5.431 2.111 ( -5.157 5.571 -4.489) 8.819 2.284 ( -6.959 -9.469 -7.158) 13.760 2.366 ( 2.776 8.196 3.095) 9.190 2.482 ( -0.999 -2.061 1.338) 2.652 2.612 ( -0.287 1.849 3.160) 3.672 2.680 ( 0.772 -2.779 -0.153) 2.889 2.857 ( 6.209 1.748 3.518) 7.348 2.951 ( 7.447 -6.902 1.500) 10.264 3.319 ( -2.441 -0.698 -1.823) 3.126 3.350 ( 0.932 -2.237 -0.234) 2.435 3.665 ( -0.744 1.014 1.220) 1.752 3.683 ( -0.891 -0.569 2.078) 2.332 4.112 ( -6.072 7.342 -1.450) 9.637 4.252 ( -3.318 -4.297 -1.307) 5.584 4.475 ( 3.611 5.458 -1.558) 6.728 4.573 ( 1.682 -4.081 -4.261) 6.135 4.791 ( 0.680 5.971 0.389) 6.022 4.817 ( 0.776 3.160 2.940) 4.385 4.896 ( -8.411 4.138 -5.738) 10.991 5.031 ( -4.665 -7.343 -6.522) 10.873 5.468 ( -0.918 0.348 -8.726) 8.781 5.489 ( -0.523 -1.212 -9.275) 9.368 5.635 ( 2.531 16.529 3.924) 17.176 6.012 ( 1.321 -17.587 0.182) 17.637 10.264 ( -2.067 5.461 1.716) 6.086 10.395 ( -1.678 -6.780 1.350) 7.113 11.335 ( 0.814 1.675 -0.881) 2.060 11.361 ( 0.035 -0.578 -1.441) 1.553 12.614 ( 2.581 6.629 -0.119) 7.115 12.770 ( 2.577 -7.786 -1.247) 8.296 14.427 ( -6.760 5.289 -0.709) 8.613 14.493 ( -3.854 -0.351 0.512) 3.904 14.567 ( 2.945 3.889 -0.166) 4.881 14.661 ( 1.676 -3.764 -3.179) 5.204 15.301 ( -0.835 3.997 -0.301) 4.095 15.407 ( 1.915 -5.685 0.007) 5.998 ======================= Grid point 96 (54/148) ======================= q-point: (-0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -2.162 0.823 -4.641) 5.186 1.119 ( -0.924 -0.504 -3.952) 4.089 1.449 ( -7.819 6.426 -0.778) 10.151 1.569 ( -1.579 -3.098 0.433) 3.504 1.715 ( -9.198 4.727 -5.182) 11.567 1.805 ( -2.295 -1.098 -6.036) 6.550 2.050 ( 0.348 2.015 0.593) 2.129 2.150 ( -2.549 -6.404 -3.513) 7.736 2.415 ( 0.467 6.753 0.454) 6.785 2.497 ( -0.223 -1.072 2.665) 2.881 2.569 ( -4.130 0.956 0.408) 4.259 2.665 ( -1.424 -3.971 -0.419) 4.239 2.936 ( -0.856 5.872 2.718) 6.527 3.076 ( 2.672 -6.893 1.542) 7.552 3.248 ( -4.984 4.343 1.404) 6.758 3.389 ( 2.561 -6.297 1.613) 6.987 3.655 ( -1.088 1.935 -1.252) 2.548 3.676 ( 0.132 -0.102 -0.351) 0.389 4.001 ( -2.863 10.713 -3.654) 11.675 4.235 ( 1.706 -8.521 -0.025) 8.690 4.503 ( 0.881 2.443 -5.811) 6.365 4.553 ( 0.348 -3.268 -5.682) 6.564 4.707 ( -2.940 8.274 -4.131) 9.704 4.808 ( -5.044 -0.971 -0.403) 5.153 4.858 ( 2.342 4.641 3.047) 6.026 4.958 ( 3.924 -4.903 -0.731) 6.322 5.379 ( 0.963 -0.324 -12.161) 12.203 5.393 ( -0.455 -1.701 -10.135) 10.287 5.732 ( 3.221 13.467 4.828) 14.665 6.025 ( -0.036 -13.395 0.040) 13.395 10.224 ( -3.954 5.822 1.709) 7.242 10.361 ( -3.169 -7.011 1.170) 7.782 11.372 ( 3.860 1.116 -1.061) 4.156 11.382 ( 4.339 0.309 -1.871) 4.735 12.680 ( 4.619 6.222 0.773) 7.788 12.835 ( 6.086 -7.922 -1.019) 10.041 14.293 ( -7.461 3.176 -1.631) 8.271 14.342 ( -9.442 -1.311 -2.828) 9.944 14.647 ( 3.332 3.509 2.052) 5.256 14.681 ( 0.653 0.148 0.076) 0.674 15.270 ( -1.762 6.034 -0.503) 6.306 15.428 ( 0.966 -8.392 -1.123) 8.522 ======================= Grid point 97 (55/148) ======================= q-point: (-0.22 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 1.486 3.477 1.515) 4.073 1.127 ( 3.233 0.495 -0.220) 3.278 1.281 ( -8.626 9.467 -2.633) 13.075 1.447 ( -8.827 -1.436 -8.194) 12.129 1.580 ( -1.286 0.538 -0.770) 1.592 1.706 ( -3.164 -6.369 -4.848) 8.607 2.083 ( 1.892 -0.833 0.052) 2.068 2.109 ( -0.067 -3.097 -2.679) 4.096 2.402 ( -1.227 10.812 -0.171) 10.883 2.485 ( -2.463 -0.602 0.276) 2.550 2.521 ( -3.154 1.011 3.200) 4.605 2.652 ( -0.944 -6.338 2.706) 6.956 2.877 ( -5.434 7.395 -1.705) 9.334 3.043 ( -5.710 -6.187 -0.740) 8.452 3.176 ( -6.408 8.251 4.057) 11.207 3.423 ( -1.910 -11.453 3.032) 12.001 3.636 ( 3.281 4.612 -4.963) 7.528 3.691 ( 2.429 -1.112 -1.448) 3.038 3.973 ( 1.194 13.901 -0.349) 13.957 4.284 ( 1.929 -10.078 1.833) 10.424 4.417 ( -2.489 0.520 -5.349) 5.923 4.502 ( 0.351 -6.310 -5.750) 8.544 4.688 ( 0.968 5.175 -1.327) 5.430 4.742 ( -0.251 -0.282 -0.304) 0.485 4.945 ( 4.242 8.181 2.151) 9.463 5.094 ( 7.677 -4.524 4.068) 9.796 5.298 ( 1.693 0.662 -11.575) 11.717 5.329 ( 1.338 -1.921 -5.441) 5.924 5.804 ( 1.002 9.486 2.671) 9.905 6.014 ( -0.944 -9.495 -0.363) 9.549 10.166 ( -4.076 6.329 1.685) 7.714 10.313 ( -3.167 -7.410 1.015) 8.122 11.441 ( 5.138 2.422 -0.962) 5.761 11.476 ( 7.119 -0.590 -0.882) 7.198 12.782 ( 5.704 7.381 1.556) 9.458 12.964 ( 9.422 -9.128 -0.585) 13.131 14.135 ( -8.981 1.987 -2.258) 9.471 14.163 ( -8.072 -0.408 -1.995) 8.325 14.663 ( -3.593 1.650 1.735) 4.318 14.678 ( -2.889 0.417 2.776) 4.028 15.261 ( 2.151 7.128 -0.846) 7.493 15.426 ( 0.982 -8.213 -3.061) 8.820 ======================= Grid point 98 (56/148) ======================= q-point: (-0.11 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -7.939 3.042 -1.722) 8.675 1.101 ( -4.950 2.289 1.886) 5.770 1.214 ( 4.282 13.724 -1.921) 14.505 1.341 ( 5.631 1.695 -2.680) 6.463 1.570 ( 0.134 -5.085 0.624) 5.125 1.629 ( -1.665 -9.453 -3.036) 10.067 2.105 ( 2.522 0.040 -1.863) 3.136 2.119 ( 3.730 -0.619 -1.805) 4.190 2.373 ( -3.811 12.364 3.108) 13.307 2.446 ( -2.307 4.498 -0.112) 5.056 2.487 ( -4.822 -1.677 5.118) 7.229 2.666 ( -0.361 -11.167 1.080) 11.225 2.768 ( -2.840 7.765 -3.599) 9.017 2.925 ( -5.377 -1.505 -0.414) 5.599 3.094 ( -5.780 7.697 2.789) 10.022 3.389 ( -3.259 -13.842 1.432) 14.293 3.684 ( 4.657 3.454 -1.708) 6.045 3.732 ( 2.786 -0.846 -0.255) 2.923 4.015 ( 1.938 14.991 3.044) 15.420 4.327 ( 1.726 -3.346 2.865) 4.731 4.361 ( -1.203 -3.819 -0.126) 4.006 4.494 ( 2.175 -9.558 -2.937) 10.233 4.715 ( 1.881 3.764 2.165) 4.732 4.766 ( 2.011 0.318 0.782) 2.181 5.000 ( 1.926 9.205 -3.057) 9.889 5.168 ( 2.674 -5.329 -10.898) 12.423 5.308 ( 2.943 3.499 5.012) 6.784 5.401 ( 7.251 -5.126 6.067) 10.754 5.807 ( -1.237 8.312 -0.724) 8.434 5.989 ( -1.297 -8.088 -0.831) 8.233 10.119 ( -2.756 6.739 1.694) 7.475 10.275 ( -2.047 -7.771 0.968) 8.094 11.521 ( 4.095 3.939 -0.035) 5.682 11.593 ( 6.204 -2.578 -0.045) 6.719 12.890 ( 4.371 10.702 1.896) 11.715 13.134 ( 9.513 -11.564 -0.449) 14.980 13.978 ( -6.442 2.490 -0.798) 6.952 14.022 ( -6.691 -1.439 -0.453) 6.859 14.590 ( -5.953 1.751 1.938) 6.501 14.614 ( -5.150 -0.307 1.296) 5.319 15.320 ( 4.160 4.315 -0.967) 6.072 15.415 ( 1.487 -4.477 -3.944) 6.149 ======================= Grid point 126 (57/148) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -2.688 0.000 11.852) 12.153 0.803 ( 0.531 0.000 15.850) 15.859 1.033 ( 2.587 0.000 -0.837) 2.719 1.352 ( -2.467 0.000 -1.989) 3.169 1.634 ( 6.865 0.000 10.558) 12.593 1.684 ( 10.747 0.000 0.039) 10.747 1.846 ( -0.330 0.000 16.410) 16.413 2.024 ( -7.630 0.000 1.042) 7.701 2.156 ( -9.576 0.000 4.357) 10.521 2.358 ( -1.232 0.000 10.529) 10.600 2.402 ( -5.324 0.000 -8.160) 9.743 2.758 ( -4.568 0.000 -0.243) 4.574 2.873 ( 5.473 0.000 -4.077) 6.824 2.923 ( 3.944 0.000 -2.103) 4.469 3.247 ( 1.174 0.000 -9.644) 9.716 3.364 ( 5.578 0.000 -1.877) 5.885 3.596 ( 5.165 0.000 2.121) 5.583 3.806 ( -4.651 0.000 3.046) 5.560 3.877 ( 1.224 0.000 4.948) 5.097 4.193 ( -4.222 0.000 -2.227) 4.774 4.245 ( 3.427 0.000 -2.891) 4.483 4.517 ( 2.694 0.000 5.362) 6.001 4.552 ( 2.248 0.000 9.640) 9.899 4.812 ( -10.005 0.000 -5.750) 11.539 4.833 ( 2.167 0.000 7.659) 7.959 5.359 ( 5.351 0.000 3.769) 6.545 5.446 ( 6.691 0.000 2.016) 6.988 5.816 ( -5.171 0.000 4.179) 6.649 6.050 ( 12.914 0.000 -0.920) 12.947 6.245 ( 5.813 0.000 -7.408) 9.416 9.941 ( -2.372 0.000 4.568) 5.147 10.485 ( 3.711 0.000 -6.647) 7.613 11.493 ( -1.335 0.000 4.544) 4.735 11.783 ( 13.320 0.000 -0.919) 13.351 13.084 ( -42.234 0.000 2.572) 42.312 13.426 ( 4.665 0.000 -2.039) 5.091 13.903 ( 4.814 0.000 2.781) 5.560 13.960 ( -3.389 0.000 0.884) 3.502 14.428 ( -0.937 0.000 1.643) 1.892 14.530 ( 2.490 0.000 -0.162) 2.495 14.943 ( -0.747 0.000 4.522) 4.583 15.404 ( 17.256 0.000 -3.990) 17.711 ======================= Grid point 127 (58/148) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 13.333 0.000 7.204) 15.155 1.000 ( 6.686 0.000 14.206) 15.700 1.194 ( 14.294 0.000 0.288) 14.297 1.280 ( -2.139 0.000 -4.200) 4.714 1.657 ( -5.361 0.000 0.691) 5.405 1.868 ( 5.454 0.000 3.315) 6.383 1.875 ( -5.715 0.000 -1.529) 5.916 2.033 ( -6.003 0.000 -1.182) 6.118 2.162 ( 10.541 0.000 24.456) 26.631 2.287 ( -1.534 0.000 -5.707) 5.909 2.455 ( 2.574 0.000 9.033) 9.393 2.670 ( -4.124 0.000 -0.509) 4.156 2.943 ( 6.699 0.000 -7.356) 9.949 2.954 ( 1.171 0.000 -1.252) 1.715 3.209 ( 3.164 0.000 -6.770) 7.473 3.441 ( 5.375 0.000 -3.114) 6.211 3.707 ( 4.397 0.000 3.238) 5.460 3.720 ( -5.518 0.000 -1.324) 5.675 3.954 ( 1.933 0.000 7.385) 7.634 4.099 ( -5.297 0.000 -1.179) 5.426 4.322 ( 5.969 0.000 0.903) 6.037 4.481 ( -12.797 0.000 -9.531) 15.957 4.610 ( -1.450 0.000 3.154) 3.472 4.650 ( 2.013 0.000 3.495) 4.033 4.946 ( 1.568 0.000 10.901) 11.013 5.468 ( 4.243 0.000 3.731) 5.650 5.613 ( 6.225 0.000 4.047) 7.425 5.658 ( -14.390 0.000 1.413) 14.459 6.139 ( -7.751 0.000 -10.693) 13.207 6.276 ( 13.392 0.000 -1.011) 13.430 9.959 ( 0.106 0.000 4.174) 4.175 10.510 ( 5.454 0.000 -6.425) 8.428 11.481 ( -3.987 0.000 3.465) 5.282 11.902 ( 1.290 0.000 -4.244) 4.436 12.514 ( -27.928 0.000 13.805) 31.154 13.429 ( -3.586 0.000 0.160) 3.590 13.937 ( 0.401 0.000 0.438) 0.594 14.081 ( 11.056 0.000 2.380) 11.309 14.436 ( 0.460 0.000 1.328) 1.405 14.602 ( 5.486 0.000 1.093) 5.594 14.992 ( 2.169 0.000 3.496) 4.114 15.566 ( 7.938 0.000 -10.662) 13.292 ======================= Grid point 128 (59/148) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 7.310 0.000 -1.227) 7.412 1.228 ( 6.203 0.000 10.108) 11.860 1.277 ( 8.252 0.000 0.181) 8.254 1.448 ( 11.177 0.000 1.577) 11.288 1.541 ( -8.069 0.000 1.462) 8.200 1.734 ( -3.067 0.000 -3.984) 5.028 1.920 ( -6.903 0.000 1.782) 7.129 1.997 ( 2.343 0.000 1.715) 2.903 2.267 ( 2.830 0.000 1.304) 3.116 2.500 ( 9.883 0.000 6.515) 11.837 2.598 ( 4.987 0.000 12.087) 13.076 2.639 ( 1.446 0.000 -0.606) 1.568 2.946 ( -1.292 0.000 0.788) 1.513 2.956 ( 4.991 0.000 -12.118) 13.106 3.255 ( 6.137 0.000 -2.930) 6.801 3.475 ( 1.643 0.000 -6.285) 6.496 3.621 ( -2.264 0.000 -3.343) 4.038 3.799 ( 1.973 0.000 5.937) 6.256 3.967 ( -8.636 0.000 -2.685) 9.044 4.067 ( 4.162 0.000 6.181) 7.452 4.197 ( -8.053 0.000 -7.706) 11.146 4.456 ( 5.237 0.000 6.645) 8.461 4.614 ( -2.797 0.000 3.719) 4.653 4.676 ( 0.406 0.000 -1.294) 1.356 5.037 ( -2.018 0.000 7.684) 7.945 5.384 ( -15.888 0.000 0.432) 15.894 5.547 ( 1.981 0.000 1.284) 2.361 5.694 ( 1.766 0.000 -1.675) 2.434 5.849 ( -14.407 0.000 -10.695) 17.943 6.479 ( 10.860 0.000 -2.045) 11.051 10.011 ( 1.885 0.000 3.660) 4.116 10.563 ( 6.469 0.000 -6.254) 8.998 11.417 ( -5.634 0.000 1.742) 5.898 11.763 ( -12.642 0.000 0.498) 12.652 12.339 ( -7.035 0.000 10.161) 12.359 13.328 ( -7.670 0.000 1.071) 7.745 13.968 ( 1.859 0.000 1.017) 2.118 14.274 ( 9.329 0.000 -0.465) 9.341 14.453 ( -0.505 0.000 1.867) 1.934 14.744 ( 8.994 0.000 2.002) 9.214 15.074 ( 4.715 0.000 1.657) 4.997 15.526 ( -0.615 0.000 -11.552) 11.569 ======================= Grid point 129 (60/148) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 1.837 0.000 -3.647) 4.084 1.312 ( -1.697 0.000 -0.760) 1.859 1.400 ( -3.832 0.000 -3.933) 5.491 1.504 ( 7.176 0.000 3.007) 7.781 1.539 ( -1.978 0.000 2.213) 2.968 1.745 ( 3.944 0.000 0.974) 4.062 1.852 ( -4.832 0.000 9.928) 11.042 2.029 ( 5.227 0.000 -2.536) 5.809 2.398 ( 4.825 0.000 9.948) 11.056 2.627 ( 4.986 0.000 -1.537) 5.217 2.666 ( 0.740 0.000 -1.964) 2.099 2.730 ( 0.078 0.000 0.414) 0.421 2.975 ( 3.830 0.000 3.401) 5.122 2.986 ( 9.254 0.000 -7.867) 12.146 3.346 ( 5.799 0.000 -1.118) 5.906 3.360 ( -3.351 0.000 -14.190) 14.580 3.612 ( 1.591 0.000 0.617) 1.707 3.805 ( -4.998 0.000 -3.365) 6.025 3.879 ( 0.354 0.000 8.332) 8.340 4.079 ( -2.227 0.000 -2.108) 3.066 4.183 ( 3.962 0.000 3.450) 5.253 4.509 ( -7.511 0.000 1.794) 7.722 4.574 ( -4.810 0.000 2.783) 5.557 4.722 ( 5.138 0.000 3.129) 6.016 4.920 ( -10.707 0.000 0.427) 10.715 5.242 ( -3.231 0.000 4.013) 5.153 5.482 ( -16.579 0.000 -11.476) 20.164 5.552 ( -0.673 0.000 -2.615) 2.700 5.648 ( -1.795 0.000 -8.596) 8.781 6.602 ( 6.057 0.000 -4.379) 7.474 10.077 ( 2.074 0.000 3.189) 3.804 10.621 ( 5.987 0.000 -6.350) 8.728 11.329 ( -5.071 0.000 0.450) 5.091 11.552 ( -12.155 0.000 2.265) 12.364 12.359 ( -0.731 0.000 9.057) 9.087 13.209 ( -6.670 0.000 1.370) 6.809 14.007 ( 1.443 0.000 1.231) 1.897 14.393 ( 6.197 0.000 -2.410) 6.649 14.438 ( -2.888 0.000 1.492) 3.250 14.881 ( 4.112 0.000 -3.686) 5.522 15.175 ( 5.052 0.000 1.352) 5.229 15.423 ( 0.603 0.000 -6.405) 6.434 ======================= Grid point 130 (61/148) ======================= q-point: (-0.56 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 1.732 0.000 0.475) 1.796 1.225 ( -2.870 0.000 -6.600) 7.197 1.274 ( -4.851 0.000 -7.054) 8.561 1.428 ( -10.671 0.000 0.277) 10.675 1.577 ( 0.537 0.000 2.223) 2.287 1.827 ( 2.873 0.000 2.013) 3.508 1.947 ( 1.898 0.000 13.812) 13.941 2.165 ( 10.250 0.000 1.033) 10.302 2.537 ( 0.880 0.000 6.602) 6.660 2.618 ( -4.843 0.000 -3.755) 6.128 2.653 ( 0.034 0.000 3.187) 3.187 2.713 ( 4.401 0.000 -6.705) 8.020 2.997 ( -6.155 0.000 -5.069) 7.974 3.064 ( 5.069 0.000 -7.331) 8.912 3.277 ( 8.962 0.000 -8.715) 12.501 3.422 ( 3.370 0.000 -0.666) 3.435 3.648 ( -1.203 0.000 2.725) 2.979 3.777 ( 5.792 0.000 -0.739) 5.839 3.937 ( -1.598 0.000 6.646) 6.835 4.063 ( 1.082 0.000 0.800) 1.346 4.173 ( -13.545 0.000 0.313) 13.549 4.355 ( -1.572 0.000 1.757) 2.357 4.504 ( -5.089 0.000 1.963) 5.454 4.672 ( -2.846 0.000 -7.219) 7.759 4.958 ( -1.328 0.000 2.898) 3.188 5.130 ( -8.480 0.000 -8.548) 12.040 5.254 ( 0.385 0.000 7.431) 7.441 5.478 ( -4.691 0.000 -6.283) 7.842 5.512 ( -1.184 0.000 -13.246) 13.299 6.608 ( 0.400 0.000 -7.525) 7.535 10.125 ( 0.222 0.000 3.041) 3.050 10.652 ( 3.711 0.000 -6.741) 7.695 11.266 ( -2.135 0.000 0.311) 2.158 11.391 ( -8.144 0.000 1.676) 8.315 12.464 ( 3.434 0.000 10.951) 11.477 13.130 ( -3.473 0.000 0.967) 3.605 14.040 ( 1.099 0.000 1.605) 1.946 14.387 ( -3.537 0.000 0.448) 3.565 14.460 ( 4.094 0.000 -2.577) 4.837 14.761 ( -8.456 0.000 -11.569) 14.330 15.252 ( 1.773 0.000 1.935) 2.624 15.496 ( 9.145 0.000 -0.552) 9.162 ======================= Grid point 131 (62/148) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -10.940 0.000 1.218) 11.007 1.136 ( -1.185 0.000 -6.145) 6.258 1.205 ( 4.742 0.000 -3.664) 5.993 1.222 ( -11.960 0.000 0.425) 11.968 1.635 ( 3.259 0.000 4.741) 5.753 1.854 ( -1.108 0.000 -0.073) 1.110 2.052 ( -3.157 0.000 8.369) 8.945 2.368 ( 10.907 0.000 1.910) 11.073 2.480 ( -7.677 0.000 0.866) 7.726 2.561 ( 0.157 0.000 1.621) 1.629 2.635 ( -6.672 0.000 -4.791) 8.214 2.721 ( 3.587 0.000 -10.143) 10.759 2.869 ( -2.331 0.000 4.696) 5.243 3.006 ( -4.558 0.000 -7.271) 8.581 3.363 ( 5.348 0.000 -7.142) 8.922 3.446 ( 0.847 0.000 -1.870) 2.053 3.630 ( -1.162 0.000 2.403) 2.669 3.891 ( -7.491 0.000 -3.128) 8.117 3.933 ( -9.716 0.000 5.070) 10.959 3.960 ( 9.112 0.000 5.249) 10.516 4.147 ( 8.604 0.000 2.124) 8.862 4.420 ( 4.236 0.000 1.010) 4.354 4.445 ( -3.085 0.000 1.759) 3.551 4.603 ( 0.721 0.000 -5.298) 5.346 4.714 ( -13.206 0.000 -4.365) 13.909 5.049 ( -0.911 0.000 -9.931) 9.973 5.292 ( -5.411 0.000 -12.679) 13.785 5.417 ( 0.078 0.000 -9.089) 9.089 5.456 ( 7.927 0.000 17.433) 19.151 6.494 ( -4.621 0.000 -10.551) 11.518 10.129 ( -2.929 0.000 3.407) 4.493 10.635 ( 1.128 0.000 -7.026) 7.116 11.265 ( 1.207 0.000 1.042) 1.594 11.300 ( -3.491 0.000 0.795) 3.580 12.668 ( 8.366 0.000 13.481) 15.866 13.107 ( 0.547 0.000 -0.394) 0.674 14.072 ( 0.277 0.000 2.794) 2.808 14.337 ( -2.022 0.000 -0.100) 2.025 14.453 ( -9.642 0.000 -6.145) 11.434 14.522 ( 0.414 0.000 -6.902) 6.914 15.259 ( -3.091 0.000 2.104) 3.739 15.646 ( 8.541 0.000 -3.426) 9.203 ======================= Grid point 132 (63/148) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -11.362 0.000 4.616) 12.264 0.983 ( -13.834 0.000 4.487) 14.544 1.149 ( 4.077 0.000 -4.510) 6.080 1.271 ( 3.526 0.000 1.004) 3.666 1.758 ( 5.174 0.000 5.084) 7.254 1.770 ( -7.645 0.000 -2.752) 8.125 1.909 ( -17.204 0.000 1.733) 17.291 2.394 ( -9.773 0.000 -6.285) 11.620 2.418 ( -5.909 0.000 10.903) 12.402 2.555 ( 9.725 0.000 -0.646) 9.746 2.616 ( -4.144 0.000 -14.875) 15.441 2.652 ( 5.608 0.000 2.446) 6.118 2.880 ( -1.469 0.000 -3.757) 4.034 2.891 ( -3.345 0.000 5.543) 6.474 3.333 ( -0.552 0.000 -6.882) 6.904 3.430 ( 0.385 0.000 -4.714) 4.729 3.675 ( 1.291 0.000 6.630) 6.754 3.768 ( -3.759 0.000 -5.495) 6.657 3.811 ( -6.658 0.000 1.726) 6.878 4.110 ( 4.723 0.000 4.560) 6.565 4.357 ( 6.007 0.000 1.456) 6.181 4.416 ( -5.098 0.000 -3.253) 6.048 4.479 ( 9.308 0.000 3.627) 9.990 4.548 ( -0.149 0.000 -0.512) 0.533 4.645 ( 2.785 0.000 -1.202) 3.034 4.960 ( 0.008 0.000 -0.256) 0.256 5.114 ( -3.446 0.000 -9.859) 10.443 5.374 ( 3.091 0.000 -6.497) 7.195 5.735 ( 7.239 0.000 15.629) 17.224 6.283 ( -7.946 0.000 -12.721) 14.999 10.085 ( -5.420 0.000 4.044) 6.763 10.584 ( 0.111 0.000 -7.015) 7.016 11.282 ( 0.640 0.000 0.894) 1.099 11.316 ( 2.791 0.000 2.176) 3.539 12.982 ( 14.091 0.000 14.561) 20.263 13.140 ( 4.517 0.000 -2.298) 5.068 14.087 ( -1.945 0.000 3.572) 4.067 14.189 ( -10.809 0.000 -5.893) 12.311 14.329 ( 0.932 0.000 0.983) 1.354 14.534 ( 1.975 0.000 -1.769) 2.651 15.184 ( -7.064 0.000 1.841) 7.300 15.692 ( 2.155 0.000 -10.561) 10.779 ======================= Grid point 133 (64/148) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -8.758 0.000 12.686) 15.415 0.807 ( -12.526 0.000 9.525) 15.736 1.207 ( 2.748 0.000 -0.212) 2.756 1.338 ( 1.732 0.000 3.687) 4.074 1.564 ( -8.512 0.000 -7.119) 11.097 1.565 ( -21.684 0.000 6.841) 22.737 1.875 ( 2.342 0.000 1.215) 2.639 2.221 ( -6.248 0.000 -1.909) 6.533 2.379 ( -7.885 0.000 4.049) 8.864 2.425 ( -6.791 0.000 -0.867) 6.846 2.701 ( 8.296 0.000 -2.042) 8.544 2.762 ( 0.761 0.000 2.002) 2.141 2.818 ( -3.569 0.000 -1.988) 4.085 2.867 ( 2.597 0.000 -5.362) 5.957 3.280 ( -0.021 0.000 -2.682) 2.682 3.373 ( 0.195 0.000 -9.420) 9.422 3.622 ( -6.189 0.000 -4.340) 7.559 3.760 ( 0.562 0.000 8.573) 8.592 3.781 ( 1.168 0.000 -0.683) 1.353 4.227 ( 4.544 0.000 3.739) 5.885 4.323 ( -4.519 0.000 2.234) 5.041 4.384 ( -0.659 0.000 0.726) 0.981 4.488 ( -4.109 0.000 -5.190) 6.620 4.669 ( 2.400 0.000 0.923) 2.572 4.736 ( 12.536 0.000 1.988) 12.693 5.042 ( 1.722 0.000 -1.250) 2.128 5.191 ( 16.380 0.000 18.018) 24.351 5.420 ( 6.489 0.000 -3.736) 7.488 5.952 ( 4.208 0.000 12.148) 12.856 6.029 ( -7.705 0.000 -12.704) 14.857 10.020 ( -5.959 0.000 4.539) 7.491 10.530 ( 0.574 0.000 -6.910) 6.934 11.345 ( 5.216 0.000 2.961) 5.998 11.388 ( 2.597 0.000 3.475) 4.338 13.221 ( 7.546 0.000 -3.777) 8.438 13.366 ( 16.829 0.000 7.710) 18.511 14.027 ( -4.377 0.000 1.071) 4.506 14.064 ( -3.554 0.000 2.927) 4.604 14.376 ( 1.874 0.000 3.128) 3.647 14.552 ( 0.935 0.000 -0.017) 0.935 15.062 ( -8.208 0.000 1.892) 8.424 15.499 ( -11.116 0.000 -17.567) 20.789 ======================= Grid point 134 (65/148) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -14.347 0.000 13.238) 19.522 0.732 ( -7.115 0.000 14.302) 15.974 1.125 ( -10.113 0.000 -0.063) 10.113 1.380 ( 1.052 0.000 -1.211) 1.604 1.421 ( -5.654 0.000 22.146) 22.857 1.519 ( 9.183 0.000 -5.201) 10.554 1.843 ( -4.037 0.000 -0.001) 4.037 2.123 ( -5.524 0.000 1.303) 5.675 2.300 ( -12.145 0.000 7.480) 14.263 2.320 ( -2.610 0.000 6.178) 6.707 2.599 ( -8.670 0.000 -7.749) 11.628 2.793 ( 1.828 0.000 0.009) 1.828 2.853 ( 1.643 0.000 -5.393) 5.637 2.862 ( 4.211 0.000 -1.272) 4.398 3.295 ( 3.319 0.000 -1.071) 3.487 3.307 ( 1.690 0.000 -10.001) 10.143 3.534 ( -0.426 0.000 -0.316) 0.530 3.819 ( 2.605 0.000 1.013) 2.795 3.819 ( -1.882 0.000 7.290) 7.529 4.261 ( -2.262 0.000 -2.521) 3.387 4.273 ( -1.835 0.000 -1.609) 2.440 4.414 ( 3.183 0.000 4.443) 5.466 4.450 ( -0.472 0.000 7.876) 7.890 4.741 ( 2.707 0.000 4.492) 5.245 4.886 ( 2.833 0.000 1.321) 3.126 5.168 ( 8.772 0.000 6.142) 10.708 5.455 ( 0.510 0.000 -7.378) 7.395 5.670 ( 17.365 0.000 11.005) 20.558 5.898 ( 4.468 0.000 -5.295) 6.928 6.105 ( 6.291 0.000 6.094) 8.759 9.964 ( -4.680 0.000 4.718) 6.646 10.493 ( 1.921 0.000 -6.801) 7.067 11.456 ( 1.099 0.000 4.464) 4.597 11.528 ( 12.243 0.000 3.985) 12.876 13.330 ( 8.358 0.000 -3.831) 9.194 13.551 ( -0.120 0.000 -5.974) 5.975 13.981 ( -9.291 0.000 -0.918) 9.337 14.018 ( -4.148 0.000 2.007) 4.608 14.422 ( -0.121 0.000 3.179) 3.181 14.535 ( -2.772 0.000 -1.215) 3.027 14.960 ( -5.217 0.000 3.182) 6.111 15.200 ( -0.988 0.000 -2.552) 2.736 ======================= Grid point 135 (66/148) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -0.724 6.309 8.530) 10.634 0.863 ( 1.297 2.238 11.286) 11.579 1.031 ( 0.278 3.196 0.704) 3.285 1.436 ( 1.120 5.216 -3.629) 6.452 1.639 ( 4.114 -1.872 2.936) 5.390 1.714 ( 5.056 2.519 -2.140) 6.041 1.930 ( 5.091 9.581 17.071) 20.227 2.085 ( -5.075 4.257 4.540) 8.030 2.145 ( -9.754 0.699 4.679) 10.841 2.315 ( -0.464 -2.202 8.291) 8.591 2.435 ( -7.343 2.485 -5.008) 9.229 2.706 ( 2.465 -3.549 -2.030) 4.774 2.828 ( 0.380 -5.625 -1.481) 5.829 2.967 ( 3.164 3.304 -2.361) 5.147 3.184 ( 1.080 -5.778 -6.710) 8.921 3.389 ( 4.626 2.105 -3.380) 6.104 3.636 ( 4.700 3.260 1.811) 6.000 3.833 ( -3.220 1.854 3.485) 5.095 3.877 ( 1.937 1.513 5.380) 5.915 4.272 ( -0.156 4.458 -3.772) 5.841 4.336 ( -1.868 7.741 -4.499) 9.146 4.492 ( 3.801 -0.703 7.010) 8.005 4.601 ( 0.276 4.677 4.146) 6.257 4.775 ( -2.013 1.171 5.162) 5.663 4.966 ( -2.283 6.037 0.053) 6.455 5.340 ( 2.340 -0.941 2.647) 3.657 5.383 ( 6.449 -6.051 3.852) 9.645 5.744 ( -0.970 -5.069 5.445) 7.502 6.023 ( 11.058 -3.362 -1.166) 11.616 6.185 ( 2.724 -4.703 -4.446) 7.022 9.967 ( -2.276 2.360 4.406) 5.492 10.471 ( 2.965 -1.739 -5.667) 6.628 11.495 ( -0.675 0.446 4.350) 4.425 11.790 ( 10.626 -0.017 -1.212) 10.695 12.876 ( -25.874 -10.006 9.742) 29.402 13.480 ( -0.916 -0.638 -6.026) 6.129 13.908 ( 5.654 1.284 2.682) 6.388 14.003 ( -0.699 2.180 1.400) 2.683 14.454 ( -3.549 2.153 1.509) 4.417 14.534 ( 0.858 0.541 0.398) 1.090 15.029 ( -3.356 6.336 0.236) 7.174 15.419 ( 14.450 0.931 -4.584) 15.188 ======================= Grid point 136 (67/148) ======================= q-point: ( 0.11 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 12.216 3.568 4.172) 13.392 1.024 ( 5.669 1.479 11.053) 12.510 1.179 ( 13.928 0.865 1.435) 14.029 1.404 ( -0.133 8.615 -4.072) 9.530 1.625 ( -5.018 -2.238 1.529) 5.703 1.856 ( 8.403 -0.519 2.756) 8.859 1.935 ( -8.271 4.450 -1.195) 9.468 2.030 ( -4.590 0.882 -0.704) 4.727 2.275 ( 5.967 5.038 12.262) 14.537 2.300 ( 1.523 2.056 -3.083) 4.006 2.411 ( -0.001 0.762 13.446) 13.467 2.698 ( -1.166 1.326 0.273) 1.787 2.834 ( 2.402 -7.336 -2.902) 8.247 3.014 ( 4.917 1.753 -5.624) 7.673 3.158 ( 2.265 -4.608 -5.126) 7.256 3.437 ( 4.042 -0.546 -3.642) 5.468 3.707 ( -1.064 1.393 1.803) 2.515 3.787 ( -1.260 3.841 0.954) 4.153 3.965 ( 1.413 2.386 6.801) 7.344 4.198 ( -3.640 7.737 -1.186) 8.632 4.347 ( 4.145 2.166 -1.177) 4.823 4.498 ( -8.378 2.767 -6.014) 10.678 4.625 ( 2.541 3.228 4.656) 6.209 4.742 ( -2.712 5.412 0.920) 6.123 4.985 ( 0.980 3.370 8.460) 9.159 5.405 ( 1.421 -5.498 4.175) 7.048 5.528 ( 0.344 -5.796 3.879) 6.982 5.687 ( -5.507 1.136 2.944) 6.347 6.096 ( -6.130 -3.707 -7.583) 10.431 6.214 ( 11.726 -5.794 -1.932) 13.222 9.984 ( 0.150 2.360 4.050) 4.690 10.490 ( 4.504 -2.116 -5.243) 7.229 11.491 ( -3.506 1.004 3.241) 4.879 11.865 ( -1.084 -3.495 -2.692) 4.542 12.527 ( -20.435 2.452 11.781) 23.714 13.395 ( -5.598 -3.598 -1.419) 6.804 14.006 ( 1.825 5.169 -0.096) 5.482 14.097 ( 10.499 1.289 2.335) 10.832 14.454 ( 0.968 1.699 1.370) 2.387 14.593 ( 5.086 -0.552 1.694) 5.389 15.022 ( 0.678 2.813 2.279) 3.684 15.542 ( 6.260 -2.272 -9.372) 11.497 ======================= Grid point 137 (68/148) ======================= q-point: ( 0.22 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 9.569 2.341 0.206) 9.853 1.234 ( 10.691 0.489 5.335) 11.958 1.387 ( 2.195 6.149 -1.053) 6.613 1.448 ( 10.040 2.672 4.330) 11.256 1.549 ( -3.477 0.351 0.811) 3.588 1.765 ( -7.538 3.109 -3.434) 8.847 1.947 ( -4.129 2.812 0.978) 5.090 2.004 ( 3.633 0.944 3.469) 5.111 2.267 ( 1.770 0.544 -0.539) 1.929 2.433 ( 5.490 -6.867 1.136) 8.865 2.584 ( 3.994 1.528 6.551) 7.823 2.740 ( 2.168 5.924 7.908) 10.116 2.855 ( 4.283 -4.745 -3.593) 7.333 3.018 ( 2.178 1.581 -7.235) 7.720 3.178 ( 2.897 -6.776 -3.076) 7.986 3.454 ( 2.020 -1.575 -5.495) 6.062 3.636 ( -3.024 1.712 -2.261) 4.146 3.828 ( 0.564 1.758 5.308) 5.620 3.982 ( -4.102 3.292 0.868) 5.331 4.194 ( 2.207 9.268 3.934) 10.307 4.286 ( -6.668 8.162 -6.859) 12.575 4.424 ( 2.592 -0.902 3.438) 4.399 4.696 ( 0.566 5.409 5.221) 7.539 4.706 ( -0.328 2.568 -2.414) 3.539 5.067 ( -1.907 2.810 7.364) 8.109 5.309 ( -13.682 -6.067 1.097) 15.007 5.510 ( 0.063 -4.123 -1.063) 4.258 5.680 ( -1.023 -0.272 0.276) 1.094 5.863 ( -11.194 0.659 -8.851) 14.286 6.394 ( 10.210 -7.769 -2.176) 13.013 10.035 ( 1.865 2.298 3.589) 4.652 10.536 ( 5.473 -2.555 -4.836) 7.737 11.431 ( -5.427 1.352 1.544) 5.802 11.732 ( -10.992 -2.601 0.580) 11.310 12.390 ( -6.661 4.617 8.247) 11.563 13.270 ( -7.771 -5.243 0.293) 9.379 14.036 ( 1.707 5.667 0.106) 5.919 14.285 ( 9.132 0.985 -0.130) 9.186 14.481 ( -0.172 2.394 1.943) 3.088 14.733 ( 8.555 -0.930 2.122) 8.864 15.081 ( 4.128 0.820 1.333) 4.414 15.499 ( -0.667 -2.407 -10.161) 10.464 ======================= Grid point 138 (69/148) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 3.664 6.751 -3.200) 8.321 1.368 ( -1.542 1.209 -2.666) 3.309 1.416 ( 1.448 4.113 -1.427) 4.588 1.499 ( -0.844 1.206 0.819) 1.684 1.581 ( -0.119 3.458 2.831) 4.470 1.706 ( 2.568 -2.920 1.359) 4.119 1.917 ( -2.373 5.678 7.961) 10.062 2.063 ( 4.264 2.963 -1.057) 5.299 2.359 ( 4.855 -2.526 6.981) 8.870 2.564 ( 8.264 -5.373 -1.223) 9.933 2.631 ( 0.810 -2.055 -2.125) 3.065 2.777 ( -1.748 1.345 0.849) 2.364 2.945 ( 4.764 -3.996 -5.536) 8.325 2.999 ( 1.548 1.040 0.298) 1.888 3.184 ( 2.879 -6.020 -5.466) 8.626 3.438 ( 2.847 0.650 -5.941) 6.620 3.614 ( 1.395 0.508 -0.270) 1.509 3.862 ( -3.683 1.660 4.871) 6.329 3.904 ( -1.684 5.178 0.114) 5.446 4.183 ( -1.364 8.793 -1.665) 9.052 4.272 ( 1.969 6.568 1.554) 7.031 4.438 ( -4.756 0.320 3.285) 5.789 4.675 ( -0.464 1.940 -3.537) 4.061 4.791 ( 2.899 7.708 7.423) 11.087 4.907 ( -14.335 -1.144 -0.192) 14.382 5.209 ( -1.521 -2.530 3.720) 4.748 5.412 ( -9.762 -4.635 -7.734) 13.289 5.591 ( -5.658 1.583 -3.478) 6.827 5.649 ( -3.601 0.314 -9.674) 10.327 6.512 ( 5.902 -8.315 -4.053) 10.973 10.100 ( 2.017 2.195 3.177) 4.357 10.590 ( 5.072 -2.845 -4.690) 7.471 11.342 ( -5.155 1.290 0.246) 5.320 11.547 ( -10.690 -0.496 1.532) 10.811 12.390 ( -1.221 2.937 7.343) 8.002 13.148 ( -6.324 -5.530 0.631) 8.425 14.067 ( 1.614 5.325 0.450) 5.582 14.401 ( 4.980 1.084 -1.673) 5.364 14.473 ( -1.795 2.701 1.501) 3.573 14.860 ( 3.486 -1.841 -3.147) 5.045 15.175 ( 4.958 0.068 1.066) 5.072 15.411 ( 0.883 -1.124 -5.646) 5.824 ======================= Grid point 139 (70/148) ======================= q-point: (-0.56 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -1.939 4.358 -2.097) 5.211 1.293 ( -2.646 1.645 -7.474) 8.097 1.305 ( -3.567 7.688 -3.645) 9.226 1.500 ( -8.739 6.669 -0.007) 10.993 1.545 ( 2.069 -2.268 1.790) 3.554 1.799 ( 3.156 -2.361 3.690) 5.399 1.977 ( -0.207 2.918 9.863) 10.288 2.192 ( 8.712 2.318 3.002) 9.501 2.500 ( 3.475 -2.406 5.114) 6.635 2.576 ( -2.375 -1.472 -3.284) 4.312 2.666 ( 3.913 -2.538 -3.536) 5.853 2.738 ( -1.524 0.834 -3.801) 4.179 2.855 ( -4.815 -6.954 -2.472) 8.812 3.114 ( 7.047 -1.732 -0.331) 7.264 3.201 ( 5.267 -1.465 -8.533) 10.134 3.447 ( 2.342 -0.752 -4.613) 5.228 3.658 ( 0.576 0.494 3.421) 3.504 3.827 ( 1.500 3.237 -0.399) 3.590 3.925 ( -0.631 1.883 5.323) 5.681 4.154 ( -11.804 0.496 0.240) 11.816 4.197 ( -1.445 9.173 -0.967) 9.337 4.425 ( 1.870 7.168 2.360) 7.774 4.610 ( -5.645 6.660 -0.165) 8.732 4.650 ( -3.711 -1.857 -6.565) 7.766 4.952 ( -2.607 -0.283 2.761) 3.808 5.141 ( -6.323 0.493 -9.519) 11.438 5.241 ( 1.164 -0.159 9.416) 9.489 5.470 ( -5.578 -0.896 -7.409) 9.317 5.502 ( -1.604 -0.694 -11.760) 11.889 6.524 ( 0.777 -7.734 -6.840) 10.354 10.148 ( 0.193 2.126 3.073) 3.742 10.622 ( 3.021 -2.790 -4.931) 6.420 11.275 ( -2.344 0.894 0.061) 2.509 11.399 ( -7.328 0.566 0.818) 7.395 12.469 ( 2.611 0.599 8.705) 9.108 13.069 ( -3.042 -5.483 0.149) 6.272 14.102 ( 1.758 5.596 1.099) 5.968 14.404 ( -2.732 1.808 0.452) 3.307 14.492 ( 3.280 2.425 -1.575) 4.373 14.750 ( -7.967 -1.058 -10.299) 13.064 15.250 ( 1.833 -0.172 1.716) 2.517 15.478 ( 8.151 -1.666 -0.679) 8.347 ======================= Grid point 140 (71/148) ======================= q-point: (-0.44 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -9.095 1.005 -1.590) 9.288 1.174 ( -3.848 0.006 -3.916) 5.490 1.256 ( -3.462 7.636 -4.692) 9.608 1.375 ( -2.650 11.036 1.210) 11.414 1.608 ( 2.603 -1.847 3.897) 5.038 1.832 ( -1.180 -1.807 -0.258) 2.174 2.039 ( -3.429 -0.358 8.020) 8.730 2.351 ( 4.606 -1.880 1.605) 5.227 2.503 ( -0.132 2.165 -0.226) 2.180 2.530 ( -4.214 -4.900 -3.589) 7.392 2.608 ( -0.429 -1.843 -5.438) 5.758 2.707 ( -0.507 0.443 -0.015) 0.673 2.839 ( -0.329 -0.066 2.962) 2.981 3.126 ( -1.384 7.093 -5.963) 9.369 3.249 ( 4.649 -7.661 -4.242) 9.915 3.422 ( -0.474 -3.412 -5.376) 6.385 3.661 ( -1.802 2.111 3.304) 4.315 3.852 ( -7.846 -4.632 4.544) 10.181 3.894 ( -7.406 0.767 -2.665) 7.909 4.037 ( 9.370 6.520 3.584) 11.965 4.229 ( 3.651 5.839 0.340) 6.895 4.468 ( -1.018 4.257 -0.475) 4.403 4.556 ( 0.880 7.228 -0.013) 7.281 4.597 ( 2.544 -0.172 -3.408) 4.256 4.756 ( -10.545 3.856 -1.846) 11.378 5.036 ( -1.736 -1.258 -9.616) 9.852 5.280 ( -4.717 -1.030 -12.442) 13.346 5.398 ( 0.312 -1.698 -8.261) 8.439 5.457 ( 6.575 0.676 15.574) 16.919 6.428 ( -3.616 -6.003 -9.556) 11.850 10.152 ( -2.901 2.145 3.420) 4.972 10.610 ( 0.620 -2.418 -5.326) 5.882 11.269 ( 1.170 0.533 0.798) 1.514 11.312 ( -2.980 0.900 0.063) 3.113 12.629 ( 6.388 -2.921 10.610) 12.725 13.048 ( 1.089 -5.299 -1.092) 5.519 14.139 ( 0.433 5.624 2.107) 6.021 14.372 ( -0.674 3.300 0.751) 3.451 14.469 ( -10.704 1.161 -6.386) 12.518 14.546 ( 2.003 2.158 -5.067) 5.860 15.256 ( -3.000 -0.219 1.884) 3.549 15.609 ( 7.330 -3.364 -3.061) 8.627 ======================= Grid point 141 (72/148) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -9.549 3.031 4.049) 10.806 1.045 ( -10.411 2.372 2.321) 10.927 1.185 ( 1.215 5.333 -3.222) 6.348 1.397 ( 2.306 9.016 0.456) 9.317 1.660 ( -3.572 -5.683 0.771) 6.756 1.776 ( -1.677 -1.798 0.159) 2.463 1.946 ( -10.915 3.973 2.249) 11.831 2.320 ( -5.070 -5.957 -4.143) 8.852 2.427 ( -4.050 0.022 4.605) 6.132 2.542 ( -0.394 0.010 -5.082) 5.098 2.626 ( -0.811 -1.051 0.559) 1.441 2.669 ( 1.119 1.922 3.717) 4.331 2.849 ( 2.476 -0.290 -2.637) 3.629 3.031 ( -4.977 9.096 -3.260) 10.869 3.258 ( 1.009 -4.787 -3.631) 6.093 3.352 ( -2.091 -6.164 -5.244) 8.359 3.681 ( -0.358 -0.351 4.726) 4.752 3.736 ( -3.421 -2.639 -0.276) 4.330 3.796 ( -4.851 1.326 -0.728) 5.081 4.190 ( 4.518 6.526 1.562) 8.089 4.361 ( 7.625 -0.681 0.179) 7.657 4.393 ( -4.741 0.842 1.643) 5.088 4.580 ( 4.610 3.467 -3.066) 6.533 4.620 ( 0.445 5.803 -0.039) 5.820 4.745 ( 7.028 9.241 -1.093) 11.661 4.934 ( -1.776 -2.188 -0.095) 2.820 5.127 ( -1.185 1.020 -8.200) 8.348 5.355 ( 2.955 -1.727 -5.983) 6.893 5.697 ( 4.922 -2.611 13.410) 14.521 6.255 ( -5.625 -2.771 -10.813) 12.500 10.109 ( -5.364 2.195 3.980) 7.030 10.564 ( -0.308 -2.041 -5.561) 5.932 11.294 ( 1.012 1.048 0.550) 1.558 11.325 ( 3.453 0.902 1.737) 3.970 12.855 ( 8.198 -8.827 11.053) 16.349 13.095 ( 6.494 -4.521 -1.950) 8.149 14.131 ( -3.511 3.206 1.451) 4.971 14.205 ( -10.375 1.641 -5.423) 11.822 14.433 ( 4.916 8.238 3.023) 10.058 14.564 ( 1.762 2.640 -1.405) 3.471 15.182 ( -6.774 -0.104 1.577) 6.956 15.644 ( 1.507 -4.243 -8.945) 10.014 ======================= Grid point 142 (73/148) ======================= q-point: (-0.22 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -8.995 4.690 11.257) 15.154 0.904 ( -10.509 6.769 8.654) 15.204 1.198 ( -0.086 -0.542 -0.403) 0.681 1.440 ( 2.810 6.472 -1.399) 7.193 1.495 ( -6.629 -5.267 -5.465) 10.078 1.701 ( -12.752 10.740 6.685) 17.962 1.863 ( -0.092 0.633 1.953) 2.055 2.201 ( -4.596 -2.608 -1.705) 5.553 2.372 ( -7.812 -0.109 -3.273) 8.471 2.411 ( -7.133 -0.887 7.681) 10.520 2.642 ( 0.092 -4.072 0.707) 4.134 2.740 ( 2.534 -2.565 0.280) 3.617 2.866 ( -4.718 0.159 -2.730) 5.453 2.922 ( 3.222 7.591 -5.997) 10.196 3.250 ( -0.789 -2.877 -0.331) 3.001 3.282 ( 1.989 -4.643 -6.474) 8.211 3.640 ( -4.018 1.369 -4.296) 6.040 3.724 ( 1.789 -2.636 1.747) 3.633 3.794 ( -0.272 2.255 7.362) 7.704 4.261 ( 1.988 2.172 2.514) 3.872 4.352 ( -0.828 3.420 2.915) 4.570 4.411 ( -0.146 0.784 -1.352) 1.570 4.609 ( -1.100 7.444 -4.481) 8.758 4.678 ( 3.847 3.306 0.697) 5.120 4.824 ( 9.236 4.980 -3.982) 11.223 4.979 ( 2.185 -4.244 2.963) 5.618 5.262 ( 14.816 4.470 13.154) 20.311 5.413 ( 7.398 -0.738 -2.345) 7.796 5.786 ( -3.957 -8.716 2.133) 9.807 6.117 ( -0.733 2.468 -3.733) 4.535 10.044 ( -5.865 2.241 4.406) 7.671 10.515 ( 0.245 -1.761 -5.704) 5.975 11.352 ( 3.906 0.867 2.675) 4.813 11.418 ( 5.362 2.368 2.550) 6.392 13.035 ( 3.863 -13.617 5.257) 15.099 13.273 ( 13.687 -6.243 0.878) 15.069 13.995 ( -7.994 0.399 -1.077) 8.076 14.094 ( -4.186 1.769 1.132) 4.683 14.539 ( 1.892 6.464 0.661) 6.767 14.605 ( 3.556 6.350 3.034) 7.885 15.077 ( -4.823 1.679 1.502) 5.323 15.486 ( -8.368 -1.456 -14.568) 16.863 ======================= Grid point 143 (74/148) ======================= q-point: (-0.11 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -11.382 4.872 11.510) 16.905 0.812 ( -7.164 5.511 10.920) 14.175 1.127 ( -8.490 1.007 1.286) 8.646 1.414 ( 3.371 0.093 -4.808) 5.873 1.514 ( 7.596 1.566 -2.821) 8.253 1.641 ( -3.608 16.551 14.275) 22.153 1.837 ( -3.530 0.946 2.643) 4.510 2.137 ( -3.360 -0.081 1.624) 3.733 2.273 ( -4.197 -2.513 2.770) 5.622 2.307 ( -11.745 0.717 9.924) 15.393 2.620 ( -6.651 -0.932 -2.320) 7.105 2.682 ( 0.604 -2.666 -6.271) 6.841 2.815 ( 2.991 -3.381 -2.664) 5.242 2.952 ( 1.065 3.320 -0.758) 3.568 3.217 ( -0.123 -6.722 -3.158) 7.428 3.331 ( 6.254 3.127 -4.683) 8.416 3.574 ( 0.617 3.045 -1.389) 3.403 3.787 ( 2.967 -0.673 2.727) 4.085 3.843 ( -1.576 1.578 7.011) 7.358 4.293 ( -0.279 3.162 -0.754) 3.263 4.377 ( 3.044 -1.210 2.573) 4.165 4.414 ( -1.157 8.112 -0.304) 8.199 4.553 ( -0.684 7.557 1.118) 7.670 4.737 ( 1.486 1.814 3.158) 3.933 4.936 ( 4.168 1.712 2.017) 4.937 5.136 ( 9.306 -2.767 7.308) 12.151 5.463 ( -1.839 1.327 -7.909) 8.228 5.621 ( 7.734 -5.489 8.830) 12.958 5.785 ( 12.985 -6.254 1.841) 14.530 6.140 ( 2.463 0.596 0.955) 2.708 9.989 ( -4.560 2.309 4.554) 6.846 10.481 ( 1.493 -1.618 -5.822) 6.225 11.444 ( 2.300 -0.040 4.405) 4.970 11.579 ( 11.024 3.293 2.228) 11.719 13.083 ( -4.574 -15.858 5.025) 17.252 13.481 ( 8.989 -6.333 -4.489) 11.877 13.888 ( -4.745 -0.996 1.522) 5.082 14.030 ( -4.256 0.986 2.126) 4.858 14.537 ( -1.333 2.610 0.312) 2.947 14.582 ( -8.772 3.648 -0.298) 9.505 15.133 ( 4.914 11.509 -3.495) 12.993 15.210 ( -2.772 1.099 -3.548) 4.635 ======================= Grid point 144 (75/148) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 1.651 5.660 1.474) 6.077 0.873 ( 1.317 1.225 0.441) 1.852 1.168 ( -1.017 7.220 5.615) 9.203 1.496 ( 5.733 1.460 1.297) 6.057 1.661 ( -0.902 1.803 -0.440) 2.064 1.707 ( 5.712 -1.197 -0.882) 5.902 2.038 ( -2.819 1.729 -0.700) 3.381 2.193 ( 4.097 1.558 3.209) 5.432 2.223 ( -2.367 3.706 0.054) 4.397 2.382 ( -4.185 9.179 15.179) 18.226 2.512 ( -7.288 3.588 -2.167) 8.407 2.619 ( 4.389 -3.169 -1.930) 5.747 2.713 ( -0.295 -3.001 -0.235) 3.024 2.969 ( 3.354 -3.323 -0.840) 4.796 3.049 ( -2.069 -5.156 -2.936) 6.284 3.427 ( 1.802 0.264 -4.779) 5.114 3.711 ( 4.023 3.580 2.064) 5.767 3.856 ( -1.559 0.028 4.877) 5.120 3.976 ( 3.192 8.248 6.425) 10.931 4.372 ( 1.563 4.373 -3.480) 5.803 4.407 ( 0.405 0.488 0.881) 1.085 4.596 ( 0.113 7.285 0.277) 7.291 4.720 ( 0.853 5.718 2.511) 6.303 4.853 ( -0.444 5.738 4.808) 7.499 4.998 ( 2.017 -4.547 3.171) 5.899 5.194 ( 4.185 -9.277 4.517) 11.135 5.383 ( -2.068 5.135 2.123) 5.929 5.675 ( 3.242 -0.449 4.716) 5.740 5.903 ( 7.948 -7.430 1.222) 10.949 6.065 ( -0.219 -6.833 -3.531) 7.695 10.040 ( -1.959 4.421 3.849) 6.180 10.401 ( 1.250 -4.753 -2.478) 5.504 11.523 ( 0.443 2.311 2.825) 3.677 11.759 ( 5.167 -2.942 -0.730) 5.990 12.809 ( -11.829 3.329 7.613) 14.455 13.381 ( 0.077 -7.661 -5.076) 9.190 13.948 ( 5.343 2.100 2.744) 6.363 14.028 ( 1.765 0.270 2.159) 2.802 14.505 ( -4.395 2.431 1.792) 5.333 14.553 ( -0.724 1.049 0.552) 1.389 15.159 ( -3.298 5.630 -2.430) 6.963 15.420 ( 8.410 -1.236 -4.643) 9.686 ======================= Grid point 145 (76/148) ======================= q-point: ( 0.11 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 10.128 2.571 -1.507) 10.557 1.026 ( 10.287 -0.970 4.585) 11.304 1.265 ( 7.137 6.468 4.084) 10.462 1.561 ( 1.678 5.571 0.554) 5.845 1.622 ( -1.341 1.943 -1.590) 2.846 1.845 ( 7.411 -0.749 2.788) 7.953 1.971 ( -3.861 0.961 -0.780) 4.054 2.143 ( -5.881 7.248 -0.369) 9.341 2.272 ( 0.460 -1.543 1.237) 2.031 2.325 ( -0.457 1.724 -4.151) 4.518 2.534 ( -0.912 1.501 8.171) 8.357 2.659 ( 2.488 -8.352 -1.732) 8.885 2.787 ( 5.691 9.842 7.965) 13.881 2.977 ( 0.952 -4.734 -5.085) 7.012 3.032 ( 2.365 -6.440 -3.672) 7.782 3.420 ( 1.661 -1.502 -3.937) 4.529 3.753 ( -2.411 2.678 2.953) 4.659 3.844 ( -2.006 1.199 2.305) 3.283 4.087 ( 1.753 9.206 7.070) 11.740 4.362 ( -0.459 6.635 -0.555) 6.674 4.404 ( 2.401 2.658 -2.617) 4.436 4.610 ( -2.175 6.585 -0.827) 6.984 4.729 ( 0.662 5.507 1.938) 5.875 4.852 ( -3.513 4.899 -0.267) 6.034 5.039 ( 1.293 -0.250 6.064) 6.206 5.268 ( 0.027 -5.865 5.688) 8.170 5.423 ( -1.136 -2.284 3.300) 4.171 5.710 ( -2.069 1.430 3.558) 4.357 5.994 ( -1.580 -6.194 -1.650) 6.602 6.040 ( 6.154 -9.719 -4.432) 12.327 10.057 ( 0.296 4.402 3.604) 5.697 10.416 ( 2.669 -4.804 -2.161) 5.905 11.527 ( -2.528 2.387 2.155) 4.090 11.771 ( -2.995 -4.810 -0.721) 5.711 12.644 ( -12.121 8.252 6.402) 16.000 13.272 ( -7.386 -7.759 -2.518) 11.004 14.098 ( 6.064 2.886 1.266) 6.834 14.129 ( 9.016 1.543 1.380) 9.251 14.502 ( 1.678 2.631 1.472) 3.450 14.587 ( 3.726 0.020 2.004) 4.231 15.109 ( -1.293 5.206 -0.050) 5.365 15.472 ( 3.143 -4.218 -6.815) 8.610 ======================= Grid point 146 (77/148) ======================= q-point: ( 0.22 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 12.200 0.334 -1.213) 12.264 1.232 ( 7.684 -0.956 4.921) 9.175 1.447 ( 10.092 3.526 -0.308) 10.695 1.586 ( -1.711 4.685 1.295) 5.153 1.601 ( 2.819 5.844 -0.816) 6.539 1.843 ( -8.312 3.244 -2.805) 9.353 1.989 ( 5.453 0.249 0.888) 5.530 2.090 ( -1.163 7.324 4.919) 8.899 2.286 ( 4.176 -2.208 -0.822) 4.795 2.319 ( 0.309 0.503 -1.152) 1.294 2.557 ( 0.720 -3.595 0.662) 3.725 2.697 ( 2.694 -6.616 -1.417) 7.282 2.908 ( -1.696 -0.560 0.854) 1.979 3.009 ( 6.930 2.854 -3.571) 8.302 3.023 ( 1.173 -5.742 1.183) 5.979 3.416 ( 1.977 -2.282 -4.639) 5.535 3.693 ( -4.383 3.343 0.405) 5.527 3.842 ( -1.954 -0.547 4.241) 4.701 4.123 ( -2.191 9.600 3.312) 10.389 4.384 ( 1.928 6.982 0.081) 7.244 4.425 ( -1.589 2.956 0.362) 3.375 4.536 ( 0.194 11.683 -1.638) 11.799 4.768 ( -3.261 3.266 -3.492) 5.787 4.788 ( 1.077 1.651 5.155) 5.519 5.125 ( 0.923 -0.898 6.373) 6.502 5.208 ( -10.610 1.603 0.892) 10.767 5.395 ( -1.398 -5.356 -1.432) 5.718 5.690 ( -3.100 1.041 0.983) 3.415 5.858 ( -7.959 -1.226 -5.532) 9.769 6.160 ( 8.338 -13.831 -2.434) 16.333 10.106 ( 1.830 4.259 3.306) 5.694 10.455 ( 3.592 -4.914 -1.695) 6.318 11.473 ( -4.956 2.484 0.889) 5.615 11.666 ( -7.880 -3.344 0.320) 8.566 12.525 ( -6.716 7.834 4.322) 11.187 13.119 ( -8.024 -8.612 -1.014) 11.815 14.168 ( 2.936 5.918 -0.528) 6.627 14.309 ( 8.986 0.925 0.378) 9.042 14.545 ( 0.538 3.410 1.853) 3.918 14.709 ( 7.157 -1.347 2.146) 7.593 15.119 ( 2.422 2.964 0.265) 3.837 15.428 ( -0.691 -4.211 -7.241) 8.405 ======================= Grid point 147 (78/148) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 4.998 1.079 -0.515) 5.139 1.342 ( 2.469 -0.348 -0.669) 2.582 1.512 ( -1.060 3.315 -2.803) 4.469 1.595 ( 3.206 4.342 -3.253) 6.302 1.654 ( -3.744 -0.143 3.906) 5.413 1.701 ( 0.629 7.861 -0.618) 7.910 2.058 ( 1.904 6.038 0.189) 6.334 2.150 ( 1.977 5.589 5.651) 8.190 2.335 ( 4.476 0.811 2.724) 5.302 2.438 ( 10.758 -6.046 -1.161) 12.395 2.570 ( 0.029 -4.157 -0.343) 4.171 2.711 ( 1.599 -4.997 -5.596) 7.671 2.836 ( -4.795 -6.461 -0.452) 8.059 2.979 ( -0.316 -3.080 -1.248) 3.339 3.162 ( 6.532 2.923 -0.584) 7.180 3.409 ( 1.919 -2.730 -5.160) 6.145 3.648 ( -0.548 2.664 -0.317) 2.738 3.841 ( -3.469 -2.399 6.628) 7.857 4.093 ( -2.410 10.936 0.412) 11.206 4.339 ( -4.418 4.357 -1.634) 6.416 4.409 ( 0.772 6.581 -1.945) 6.906 4.588 ( 1.486 10.492 2.304) 10.844 4.697 ( -1.334 1.516 -4.234) 4.691 4.806 ( -7.130 -5.955 5.706) 10.902 5.015 ( -5.071 9.038 -1.012) 10.413 5.181 ( -0.099 1.106 2.610) 2.837 5.319 ( -4.742 -3.070 -3.882) 6.854 5.600 ( -5.822 -0.214 -3.602) 6.850 5.664 ( -6.911 0.715 -8.341) 10.855 6.261 ( 5.464 -14.851 -3.006) 16.107 10.167 ( 1.887 4.056 3.068) 5.425 10.505 ( 3.332 -4.996 -1.333) 6.152 11.382 ( -5.301 2.351 -0.228) 5.804 11.528 ( -7.983 -1.377 0.286) 8.106 12.479 ( -2.447 5.361 3.565) 6.887 12.990 ( -5.614 -8.801 -0.844) 10.473 14.210 ( 2.824 7.477 -0.649) 8.019 14.434 ( 5.894 1.451 -1.111) 6.171 14.538 ( -2.848 3.412 2.041) 4.891 14.807 ( 1.881 -3.091 -1.860) 4.068 15.187 ( 4.430 1.266 0.245) 4.614 15.373 ( 1.486 -2.516 -4.075) 5.015 ======================= Grid point 148 (79/148) ======================= q-point: (-0.56 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -6.173 0.895 -4.478) 7.679 1.298 ( -4.738 -1.298 -5.091) 7.074 1.503 ( -2.803 4.143 3.316) 6.002 1.548 ( 3.954 8.293 -5.110) 10.512 1.656 ( -2.999 3.975 0.565) 5.011 1.766 ( 3.375 1.770 3.425) 5.124 2.057 ( -1.932 3.829 2.245) 4.841 2.259 ( 4.004 4.038 5.953) 8.233 2.471 ( 4.007 -2.648 -1.653) 5.079 2.523 ( -1.095 -7.322 -6.674) 9.968 2.553 ( 2.775 -0.948 0.253) 2.943 2.681 ( 2.645 -1.582 -3.119) 4.385 2.820 ( 0.043 -1.155 6.271) 6.377 2.999 ( 3.994 -6.653 -1.833) 7.973 3.225 ( 4.118 1.456 -5.499) 7.023 3.395 ( 0.573 -3.051 -4.035) 5.091 3.667 ( 1.575 0.788 2.013) 2.675 3.821 ( -4.773 -2.410 5.120) 7.403 4.071 ( -0.296 9.196 0.450) 9.211 4.216 ( -8.586 5.258 -2.621) 10.404 4.391 ( -1.404 6.485 -0.772) 6.680 4.585 ( -2.662 -1.624 -5.510) 6.332 4.616 ( 0.178 7.160 -1.747) 7.373 4.724 ( -2.816 4.003 1.952) 5.269 4.964 ( -6.712 1.837 0.690) 6.993 5.115 ( -3.565 -2.491 -7.707) 8.849 5.305 ( 4.043 5.745 5.402) 8.862 5.442 ( -6.396 -1.478 -8.354) 10.625 5.498 ( -3.713 1.048 -7.481) 8.418 6.292 ( 1.829 -13.697 -4.743) 14.610 10.213 ( 0.135 3.912 3.069) 4.974 10.538 ( 1.600 -4.878 -1.317) 5.301 11.305 ( -2.727 1.848 -0.589) 3.347 11.405 ( -5.766 -0.204 -0.540) 5.794 12.500 ( 1.101 2.533 4.021) 4.878 12.915 ( -1.996 -8.491 -1.360) 8.828 14.260 ( 3.018 8.603 -0.191) 9.119 14.464 ( -2.415 3.623 0.931) 4.452 14.538 ( 3.003 1.427 -0.226) 3.332 14.715 ( -6.922 -2.312 -7.184) 10.240 15.252 ( 1.962 0.597 0.917) 2.247 15.427 ( 5.888 -3.125 -0.930) 6.730 ======================= Grid point 149 (80/148) ======================= q-point: (-0.44 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -6.214 0.266 -5.027) 7.997 1.165 ( -5.563 -1.007 -2.383) 6.135 1.437 ( -4.842 7.628 -2.167) 9.291 1.594 ( -4.218 7.820 3.280) 9.471 1.611 ( 3.301 3.504 -0.802) 4.881 1.793 ( -2.747 -1.417 -1.304) 3.355 2.065 ( -1.461 2.375 6.693) 7.251 2.292 ( -4.461 -4.155 -3.873) 7.223 2.380 ( -0.049 -5.507 -3.324) 6.433 2.540 ( 2.609 0.582 0.263) 2.686 2.607 ( 0.811 0.923 0.288) 1.262 2.700 ( 0.443 -1.458 -0.876) 1.757 2.882 ( 0.043 3.183 4.392) 5.425 3.077 ( 6.347 -6.877 -2.499) 9.687 3.246 ( 4.375 1.865 -5.041) 6.930 3.346 ( -2.450 -1.710 -4.355) 5.282 3.692 ( -2.637 0.841 2.896) 4.006 3.777 ( -4.099 -2.554 3.526) 5.980 3.947 ( -11.403 4.553 -1.572) 12.379 4.193 ( 8.056 6.696 0.604) 10.493 4.355 ( -1.196 5.082 -1.593) 5.458 4.534 ( 1.001 -3.509 -6.517) 7.469 4.580 ( -3.554 5.878 -1.467) 7.023 4.733 ( 2.338 7.068 0.314) 7.452 4.848 ( -3.683 3.841 3.086) 6.151 4.991 ( -3.821 -3.085 -7.943) 9.339 5.255 ( -3.429 -1.122 -12.015) 12.545 5.350 ( -0.291 -2.618 -8.056) 8.476 5.524 ( 4.962 6.354 11.007) 13.644 6.248 ( -1.102 -10.615 -6.665) 12.583 10.217 ( -2.802 3.896 3.340) 5.847 10.534 ( -0.676 -4.578 -1.686) 4.925 11.289 ( 1.348 1.244 -0.127) 1.839 11.329 ( -1.956 0.542 -0.960) 2.245 12.583 ( 3.939 -0.691 5.004) 6.405 12.901 ( 2.221 -7.951 -2.188) 8.541 14.276 ( -2.179 6.614 0.156) 6.966 14.459 ( -2.168 3.552 0.028) 4.161 14.498 ( -5.266 2.247 -3.170) 6.544 14.598 ( 3.438 2.251 -2.539) 4.831 15.257 ( -2.495 0.609 1.121) 2.802 15.513 ( 4.608 -5.463 -2.313) 7.512 ======================= Grid point 150 (81/148) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -1.738 2.875 -0.346) 3.377 1.077 ( -5.001 1.897 2.230) 5.795 1.325 ( -5.767 5.631 -0.705) 8.091 1.551 ( -5.091 4.273 0.230) 6.651 1.583 ( -6.522 0.313 -2.063) 6.847 1.715 ( 0.220 -3.123 -0.830) 3.239 2.088 ( -1.584 8.055 3.985) 9.126 2.183 ( -2.726 -6.320 -3.689) 7.809 2.362 ( -1.951 -5.309 -0.941) 5.734 2.535 ( -3.226 -0.690 -3.791) 5.025 2.598 ( -0.759 -1.440 2.385) 2.888 2.730 ( 1.938 0.284 4.181) 4.618 2.855 ( -6.091 4.253 1.119) 7.512 3.159 ( 7.467 -1.606 -5.513) 9.419 3.221 ( -6.404 -2.747 -5.586) 8.931 3.293 ( 1.269 8.416 -0.329) 8.518 3.641 ( -3.844 -2.687 1.122) 4.822 3.714 ( -3.952 -0.073 2.562) 4.710 3.833 ( -1.760 2.603 0.035) 3.142 4.318 ( -0.618 3.769 -2.683) 4.668 4.375 ( 6.944 2.282 1.822) 7.533 4.472 ( -0.502 4.801 0.161) 4.830 4.559 ( 2.806 -3.044 -1.440) 4.384 4.763 ( 1.361 6.650 -0.977) 6.858 4.866 ( -4.196 -3.823 -2.156) 6.072 4.918 ( 6.880 4.462 -2.824) 8.673 5.154 ( 2.031 1.664 -3.642) 4.490 5.307 ( 2.416 -2.642 -4.513) 5.761 5.684 ( 2.451 2.483 7.914) 8.649 6.159 ( -1.781 -6.345 -7.053) 9.653 10.176 ( -5.124 3.971 3.674) 7.451 10.494 ( -1.748 -4.418 -2.102) 5.196 11.323 ( 2.136 1.512 -0.325) 2.637 11.349 ( 4.747 1.113 0.809) 4.943 12.707 ( 4.723 -3.976 5.615) 8.345 12.962 ( 7.366 -7.473 -2.508) 10.789 14.202 ( -6.307 3.277 -0.342) 7.116 14.252 ( -9.430 2.338 -3.773) 10.422 14.603 ( 6.618 6.564 3.136) 9.834 14.633 ( 1.983 3.489 -0.223) 4.020 15.191 ( -5.311 1.350 0.699) 5.524 15.526 ( 0.514 -6.544 -5.869) 8.805 ======================= Grid point 151 (82/148) ======================= q-point: (-0.22 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -6.780 9.054 6.131) 12.866 1.058 ( 0.299 6.630 6.154) 9.051 1.198 ( -9.418 1.402 -0.240) 9.525 1.368 ( -5.090 -5.830 -3.720) 8.587 1.554 ( 1.336 3.909 -1.841) 4.522 1.742 ( 1.194 -4.105 0.365) 4.290 2.085 ( -2.251 13.719 3.544) 14.347 2.121 ( -2.164 -3.979 -1.337) 4.723 2.276 ( -5.016 -6.678 -2.115) 8.616 2.454 ( -3.620 2.159 1.299) 4.410 2.617 ( -2.765 0.097 5.685) 6.322 2.710 ( -7.100 3.059 -0.448) 7.744 2.817 ( 3.750 -4.105 1.462) 5.749 3.019 ( -8.906 -0.078 -8.841) 12.550 3.214 ( -3.603 -1.247 2.405) 4.508 3.319 ( 7.434 9.960 -3.534) 12.921 3.605 ( 1.105 -5.681 -5.164) 7.757 3.722 ( 0.592 1.932 5.633) 5.984 3.841 ( 0.239 3.156 4.180) 5.243 4.297 ( -0.435 1.624 1.973) 2.592 4.398 ( 0.725 1.538 -3.066) 3.506 4.529 ( 1.401 8.279 4.063) 9.328 4.682 ( 6.779 -3.101 2.441) 7.844 4.762 ( 2.391 4.463 -3.315) 6.052 4.849 ( 0.471 -5.312 4.645) 7.073 4.926 ( 3.823 2.832 -10.669) 11.681 5.328 ( 10.158 1.253 9.743) 14.131 5.379 ( 8.542 -2.328 1.920) 9.059 5.696 ( -4.380 1.379 -1.536) 4.842 6.103 ( 0.507 -3.671 -3.119) 4.844 10.112 ( -5.481 4.125 3.909) 7.896 10.447 ( -1.330 -4.507 -2.366) 5.261 11.385 ( 4.115 2.174 1.372) 4.852 11.466 ( 7.614 1.604 1.220) 7.876 12.820 ( 2.695 -5.133 5.301) 7.855 13.117 ( 12.262 -8.159 -1.942) 14.856 14.038 ( -8.656 2.980 -1.427) 9.265 14.133 ( -5.513 1.486 0.617) 5.743 14.626 ( -1.414 3.514 0.059) 3.789 14.720 ( -0.669 2.662 3.397) 4.367 15.138 ( 1.299 3.897 0.309) 4.120 15.432 ( -3.579 -3.577 -9.038) 10.358 ======================= Grid point 152 (83/148) ======================= q-point: (-0.11 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -6.322 8.615 4.766) 11.700 0.931 ( -10.021 4.897 -0.032) 11.154 1.185 ( -3.923 4.048 6.434) 8.554 1.357 ( 7.252 -3.188 -0.984) 7.983 1.595 ( 4.627 3.815 -0.890) 6.063 1.730 ( -1.705 -3.867 -2.120) 4.728 2.067 ( -2.210 7.063 2.789) 7.909 2.113 ( 0.869 2.527 2.834) 3.896 2.229 ( -0.005 -0.269 1.344) 1.371 2.392 ( -9.382 6.293 9.675) 14.874 2.575 ( -1.686 1.902 2.432) 3.517 2.659 ( -1.437 -3.118 -2.354) 4.163 2.789 ( -7.300 0.771 -7.444) 10.455 2.902 ( 4.505 -6.229 -0.173) 7.689 3.131 ( -6.275 -1.598 1.697) 6.694 3.418 ( 5.346 4.228 -5.119) 8.524 3.617 ( 5.045 0.483 -2.122) 5.495 3.801 ( 1.619 0.820 6.704) 6.945 3.894 ( 0.984 4.968 5.238) 7.286 4.344 ( 1.616 0.695 5.701) 5.966 4.383 ( 1.333 2.654 -4.587) 5.465 4.591 ( 1.121 7.245 4.029) 8.366 4.702 ( -0.641 5.648 -2.674) 6.282 4.819 ( 2.499 4.815 0.621) 5.460 4.907 ( 2.620 -6.177 4.281) 7.959 5.022 ( 9.472 -5.859 3.242) 11.600 5.482 ( -3.464 -3.073 5.824) 7.440 5.560 ( 3.141 5.815 -3.501) 7.479 5.681 ( 13.054 -4.533 5.096) 14.728 6.093 ( 0.007 -4.937 -2.087) 5.360 10.060 ( -4.140 4.312 3.972) 7.177 10.413 ( -0.160 -4.672 -2.518) 5.310 11.468 ( 3.061 2.282 2.612) 4.625 11.625 ( 9.148 0.534 0.658) 9.187 12.876 ( -2.633 -2.702 6.357) 7.392 13.314 ( 11.231 -8.990 -3.571) 14.823 13.920 ( -3.974 2.808 1.096) 4.988 14.047 ( -5.039 0.310 1.841) 5.374 14.585 ( -3.154 2.200 0.581) 3.889 14.626 ( -9.408 1.081 1.305) 9.560 15.236 ( 3.208 1.810 -1.487) 3.973 15.305 ( 2.540 3.730 -6.901) 8.246 ======================= Grid point 153 (84/148) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.877 2.072 -2.799) 3.591 0.933 ( -0.515 -0.139 -3.928) 3.964 1.325 ( 3.294 8.343 3.157) 9.509 1.494 ( 7.478 -5.339 -1.740) 9.352 1.646 ( -0.897 2.447 6.578) 7.075 1.710 ( 2.635 -1.572 4.982) 5.851 2.134 ( 0.208 6.211 -1.908) 6.501 2.191 ( 4.804 -0.160 0.792) 4.872 2.291 ( 0.785 2.802 -4.081) 5.012 2.423 ( -2.515 -8.144 -9.049) 12.431 2.490 ( -4.350 2.906 5.965) 7.934 2.565 ( -5.085 -3.835 3.724) 7.377 2.771 ( 2.957 4.217 0.789) 5.211 2.892 ( 0.076 -6.199 -2.925) 6.855 3.090 ( -1.878 12.123 2.701) 12.561 3.341 ( 0.061 -8.804 -2.184) 9.071 3.785 ( 2.296 3.155 3.203) 5.048 3.837 ( 0.048 -1.686 4.415) 4.727 4.238 ( 2.850 15.493 7.663) 17.518 4.417 ( 1.206 -0.052 1.010) 1.574 4.435 ( 2.156 1.774 -0.526) 2.841 4.596 ( 0.931 -11.099 6.316) 12.804 4.815 ( 1.505 2.940 0.462) 3.335 4.856 ( 3.135 -2.744 0.833) 4.248 4.984 ( 1.351 5.509 4.250) 7.088 5.073 ( 3.519 -3.489 5.005) 7.043 5.532 ( -1.503 8.362 1.731) 8.670 5.721 ( 2.792 -7.095 1.773) 7.829 5.738 ( 3.408 3.838 1.688) 5.403 5.897 ( -0.082 -8.447 -2.630) 8.848 10.150 ( -1.346 5.861 2.715) 6.598 10.281 ( -0.316 -6.199 0.697) 6.246 11.590 ( 1.291 3.833 0.979) 4.161 11.678 ( 2.249 -4.237 -0.044) 4.797 12.962 ( -4.024 9.805 2.249) 10.834 13.184 ( -0.641 -10.394 -2.077) 10.619 13.990 ( 3.990 1.748 2.735) 5.144 14.019 ( 2.720 -0.979 2.524) 3.838 14.550 ( -3.245 1.588 1.524) 3.921 14.567 ( -1.944 0.016 0.897) 2.141 15.271 ( -0.251 4.921 -3.004) 5.771 15.365 ( 3.485 -3.733 -3.744) 6.332 ======================= Grid point 154 (85/148) ======================= q-point: ( 0.11 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 9.243 0.799 -1.986) 9.488 1.001 ( 9.621 -1.219 -0.016) 9.698 1.426 ( 5.916 8.240 2.324) 10.407 1.581 ( 5.356 -5.204 -2.500) 7.875 1.700 ( 0.766 6.082 4.963) 7.887 1.806 ( 3.653 -3.453 3.543) 6.150 2.058 ( -3.919 6.765 -2.798) 8.303 2.183 ( -6.339 -3.368 -2.146) 7.493 2.322 ( 4.768 3.766 -1.702) 6.310 2.355 ( 3.271 0.625 -3.573) 4.884 2.497 ( -4.600 -1.741 3.184) 5.859 2.521 ( 1.089 -3.703 1.356) 4.091 2.835 ( 3.475 -2.873 -2.764) 5.289 2.867 ( 0.218 -5.525 -2.169) 5.939 3.117 ( 1.876 12.379 2.885) 12.848 3.334 ( 1.056 -7.219 -2.056) 7.580 3.808 ( -2.743 2.268 3.403) 4.924 3.844 ( -2.649 -0.986 3.264) 4.317 4.329 ( 0.406 11.344 5.570) 12.645 4.434 ( 1.386 -0.260 -0.882) 1.663 4.477 ( 2.155 5.616 1.870) 6.299 4.660 ( 0.674 -6.190 4.994) 7.982 4.811 ( -2.317 3.243 -0.145) 3.988 4.875 ( -1.494 -2.643 -0.634) 3.102 5.060 ( 1.958 5.330 6.511) 8.639 5.171 ( 1.827 -4.494 6.514) 8.122 5.499 ( -1.552 9.137 -2.230) 9.533 5.727 ( 0.340 -6.299 -2.341) 6.729 5.807 ( 1.964 -2.691 1.469) 3.641 5.889 ( -1.389 -5.652 0.203) 5.824 10.167 ( 0.618 5.809 2.638) 6.410 10.296 ( 1.310 -6.131 0.803) 6.321 11.590 ( -2.152 3.499 0.756) 4.177 11.673 ( -2.649 -4.284 -0.073) 5.037 12.851 ( -9.198 10.678 1.662) 14.191 13.078 ( -8.260 -10.245 -1.432) 13.238 14.137 ( 8.474 1.093 2.347) 8.861 14.148 ( 8.667 0.108 1.541) 8.803 14.555 ( 2.077 2.075 1.510) 3.302 14.584 ( 2.662 -0.627 1.660) 3.200 15.234 ( -1.193 6.303 -2.236) 6.793 15.365 ( 0.534 -5.771 -4.377) 7.263 ======================= Grid point 155 (86/148) ======================= q-point: ( 0.22 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 10.384 0.876 -0.042) 10.421 1.190 ( 9.446 -2.395 2.739) 10.122 1.560 ( 7.927 5.864 -1.472) 9.969 1.641 ( 3.176 -0.844 -3.423) 4.745 1.717 ( -1.802 5.865 1.005) 6.217 1.835 ( -1.741 -4.280 -2.439) 5.225 2.038 ( 3.293 4.862 3.135) 6.657 2.141 ( 3.442 -3.617 3.769) 6.256 2.337 ( -1.059 6.926 -3.053) 7.643 2.373 ( 1.050 2.624 -2.477) 3.758 2.472 ( 0.035 -2.463 0.594) 2.534 2.570 ( 4.116 -6.391 -0.634) 7.628 2.801 ( -1.989 -1.660 -3.964) 4.736 2.882 ( 0.327 -6.803 0.059) 6.811 3.188 ( 3.810 8.635 1.121) 9.504 3.338 ( 1.717 -5.343 -2.957) 6.344 3.763 ( -4.494 2.945 2.360) 5.868 3.814 ( -3.666 -1.877 3.232) 5.235 4.350 ( -1.527 9.822 3.431) 10.515 4.445 ( 0.555 0.018 -1.607) 1.700 4.519 ( -0.818 5.296 2.109) 5.759 4.687 ( -2.369 -6.880 3.245) 7.967 4.756 ( -2.816 4.504 0.990) 5.404 4.817 ( -2.861 0.186 -2.004) 3.498 5.132 ( 0.714 3.588 3.486) 5.053 5.226 ( -0.700 -4.206 3.049) 5.242 5.450 ( -0.776 12.581 -3.148) 12.992 5.703 ( -2.369 -3.013 -2.051) 4.347 5.813 ( -4.704 -2.981 -1.678) 5.817 5.853 ( 2.299 -10.969 -1.339) 11.287 10.212 ( 1.893 5.593 2.590) 6.448 10.337 ( 2.341 -5.950 1.035) 6.478 11.532 ( -4.862 2.946 0.233) 5.690 11.597 ( -5.714 -3.175 0.035) 6.537 12.711 ( -7.462 9.473 0.774) 12.084 12.919 ( -8.025 -9.852 -1.118) 12.756 14.268 ( 5.686 3.369 0.271) 6.614 14.312 ( 8.065 -0.834 0.657) 8.135 14.617 ( 2.292 3.169 1.543) 4.204 14.673 ( 4.869 -2.113 1.736) 5.585 15.207 ( 0.545 5.166 -1.694) 5.464 15.324 ( -0.430 -5.437 -4.289) 6.939 ======================= Grid point 156 (87/148) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 4.689 0.544 0.665) 4.767 1.330 ( 2.786 -1.713 0.971) 3.411 1.576 ( -3.212 2.475 -2.618) 4.827 1.610 ( -0.734 -0.762 -2.934) 3.119 1.739 ( 3.023 5.485 -0.017) 6.263 1.812 ( 2.567 0.320 -2.072) 3.315 2.163 ( 4.898 5.375 -0.736) 7.309 2.300 ( 6.029 -6.176 -3.571) 9.340 2.300 ( 2.524 6.032 3.784) 7.555 2.370 ( 3.148 0.516 0.212) 3.197 2.484 ( 1.429 0.004 0.160) 1.438 2.633 ( 3.194 -9.204 -0.457) 9.753 2.734 ( -2.263 4.213 -0.820) 4.852 2.873 ( -1.612 -6.677 0.961) 6.935 3.248 ( 3.116 4.444 -1.780) 5.712 3.338 ( 1.477 -3.851 -3.826) 5.626 3.714 ( -2.610 3.254 1.400) 4.400 3.781 ( -3.500 -3.038 4.133) 6.210 4.338 ( -4.036 11.155 3.636) 12.407 4.420 ( -1.149 3.065 -2.732) 4.263 4.473 ( -3.185 0.241 -2.232) 3.896 4.607 ( -7.564 -9.871 0.894) 12.468 4.765 ( 1.417 3.521 1.200) 3.981 4.768 ( -0.649 3.050 -1.946) 3.676 5.130 ( -2.582 2.755 -0.496) 3.808 5.186 ( -4.787 -2.505 -1.386) 5.578 5.436 ( 1.485 13.252 -2.763) 13.618 5.591 ( -6.403 -1.264 -5.519) 8.547 5.683 ( -5.623 2.435 -3.681) 7.148 5.909 ( 4.057 -17.071 -0.857) 17.567 10.268 ( 1.834 5.328 2.603) 6.207 10.388 ( 2.182 -5.758 1.294) 6.293 11.436 ( -5.550 2.617 -0.502) 6.157 11.489 ( -6.204 -2.227 -0.402) 6.604 12.617 ( -3.766 7.533 0.142) 8.423 12.796 ( -4.796 -9.112 -1.381) 10.389 14.355 ( 4.964 5.581 -0.669) 7.499 14.435 ( 6.301 -1.818 -0.524) 6.579 14.626 ( -2.836 4.792 1.134) 5.683 14.727 ( -0.506 -4.435 -0.428) 4.485 15.233 ( 3.394 3.054 -1.006) 4.675 15.307 ( 2.303 -3.541 -2.476) 4.896 ======================= Grid point 157 (88/148) ======================= q-point: (-0.56 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -6.972 -0.167 -4.552) 8.328 1.265 ( -5.742 -1.115 -4.196) 7.198 1.567 ( 1.324 3.403 2.894) 4.659 1.636 ( 1.533 -2.830 3.940) 5.088 1.756 ( 1.305 8.137 -4.305) 9.298 1.841 ( 0.892 0.883 -0.890) 1.539 2.132 ( -3.002 4.076 -3.420) 6.109 2.268 ( -1.953 -8.462 -6.438) 10.810 2.382 ( 0.906 5.264 2.983) 6.118 2.471 ( 4.165 -2.504 -0.312) 4.870 2.590 ( 7.421 3.714 2.401) 8.639 2.696 ( 0.258 -1.127 -1.669) 2.031 2.744 ( 6.549 -1.092 4.377) 7.952 2.855 ( 0.636 -6.725 -0.000) 6.755 3.268 ( 1.960 2.851 -3.271) 4.761 3.333 ( 1.085 -2.972 -2.329) 3.929 3.701 ( -0.523 2.366 1.932) 3.099 3.760 ( -2.926 -3.023 3.751) 5.636 4.252 ( -7.868 7.212 1.290) 10.751 4.326 ( -6.562 2.712 -4.550) 8.433 4.429 ( -0.046 0.041 0.106) 0.122 4.507 ( -1.705 -4.838 -3.489) 6.204 4.757 ( 1.037 4.975 -2.287) 5.572 4.800 ( 2.154 1.594 -0.161) 2.685 5.018 ( -9.066 2.454 -1.484) 9.508 5.063 ( -5.865 -2.159 -4.184) 7.521 5.391 ( -1.899 1.493 -9.635) 9.933 5.416 ( -5.728 -1.102 -8.330) 10.169 5.636 ( 1.627 12.806 2.444) 13.139 5.964 ( 3.088 -16.480 -1.083) 16.802 10.310 ( 0.160 5.121 2.709) 5.795 10.425 ( 0.549 -5.561 1.429) 5.768 11.348 ( -3.389 2.074 -1.065) 4.114 11.387 ( -4.388 -1.448 -1.161) 4.765 12.585 ( -0.019 5.556 0.022) 5.556 12.733 ( -0.917 -8.137 -1.777) 8.379 14.436 ( 4.979 7.193 -1.336) 8.850 14.531 ( 5.326 -0.903 -0.907) 5.478 14.553 ( -5.222 3.144 1.442) 6.263 14.644 ( -6.570 -4.316 -3.099) 8.450 15.284 ( 2.365 2.491 -0.262) 3.445 15.352 ( 3.668 -3.648 -0.936) 5.257 ======================= Grid point 158 (89/148) ======================= q-point: (-0.44 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -5.437 0.567 -4.579) 7.131 1.127 ( -4.677 -2.057 -3.221) 6.040 1.569 ( -5.027 5.262 1.664) 7.465 1.653 ( -3.266 -1.982 3.084) 4.910 1.737 ( 0.933 6.305 -4.722) 7.932 1.799 ( -5.165 1.010 -1.855) 5.580 2.080 ( -1.555 -0.214 1.646) 2.274 2.151 ( -3.669 -6.736 -4.432) 8.859 2.415 ( 0.238 6.272 0.203) 6.279 2.522 ( 1.283 -2.627 1.198) 3.160 2.621 ( -2.611 0.761 -1.515) 3.113 2.661 ( -0.954 -2.349 -1.736) 3.073 2.919 ( 7.349 0.641 2.490) 7.786 2.962 ( 9.559 -3.743 -0.315) 10.271 3.274 ( 1.071 2.716 -1.963) 3.519 3.332 ( 1.037 -1.621 -1.719) 2.581 3.709 ( -2.400 0.952 2.662) 3.709 3.735 ( -2.794 -1.530 2.659) 4.149 4.083 ( -9.680 7.805 -1.185) 12.491 4.233 ( -0.644 -4.235 -0.596) 4.325 4.430 ( 0.280 2.461 -2.360) 3.421 4.469 ( 0.468 -1.660 -4.648) 4.957 4.730 ( -2.578 7.476 -3.723) 8.741 4.837 ( 2.891 1.111 -2.704) 4.111 4.891 ( -1.734 -0.306 -0.370) 1.799 4.914 ( -7.216 -2.549 -0.855) 7.701 5.250 ( -2.119 1.020 -9.867) 10.144 5.293 ( -1.226 -2.622 -8.188) 8.685 5.724 ( 3.804 11.785 4.125) 13.052 5.993 ( 1.758 -12.924 -2.044) 13.203 10.313 ( -2.541 5.020 2.816) 6.292 10.425 ( -1.887 -5.381 1.295) 5.848 11.315 ( 0.845 1.089 -0.940) 1.668 11.331 ( -0.488 -0.357 -1.318) 1.451 12.615 ( 3.209 3.746 0.329) 4.943 12.734 ( 2.987 -7.183 -2.046) 8.044 14.401 ( -6.453 4.804 -1.516) 8.187 14.470 ( -9.199 -1.609 -2.975) 9.801 14.579 ( 5.652 3.621 1.417) 6.861 14.622 ( 5.029 -0.337 -0.351) 5.053 15.295 ( -1.017 3.216 -0.195) 3.379 15.391 ( 1.586 -5.539 -1.435) 5.938 ======================= Grid point 159 (90/148) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 1.727 1.990 -0.716) 2.731 1.085 ( 1.033 -1.841 0.935) 2.309 1.439 ( -9.427 6.005 -0.303) 11.181 1.555 ( -10.244 -4.036 -2.800) 11.361 1.653 ( -7.096 4.515 0.700) 8.439 1.697 ( -2.121 0.812 -2.588) 3.444 2.071 ( -0.460 -2.804 -0.712) 2.930 2.110 ( -1.235 -5.359 1.622) 5.734 2.395 ( -0.335 8.021 -2.877) 8.527 2.513 ( -1.073 -2.173 -1.012) 2.626 2.579 ( -1.610 0.538 0.623) 1.808 2.655 ( 0.960 -5.578 -1.118) 5.769 2.982 ( -2.981 5.368 2.391) 6.589 3.084 ( 2.982 -4.467 -0.395) 5.386 3.253 ( -0.740 5.718 -2.129) 6.146 3.376 ( 6.084 -3.295 -2.647) 7.408 3.635 ( -7.135 2.720 -0.220) 7.639 3.694 ( -3.520 -2.110 2.307) 4.708 3.985 ( -1.302 12.442 2.009) 12.670 4.282 ( 3.792 -12.351 3.956) 13.513 4.388 ( -1.232 1.982 -3.702) 4.377 4.429 ( -0.718 -1.435 -4.029) 4.337 4.673 ( -0.444 7.475 -0.146) 7.489 4.784 ( -3.365 -3.305 -1.287) 4.889 4.880 ( 3.003 3.662 -1.792) 5.064 4.937 ( 5.139 -1.753 -5.534) 7.753 5.199 ( 2.748 2.334 -0.902) 3.716 5.250 ( 2.138 -2.552 -2.521) 4.176 5.804 ( 1.883 8.105 1.944) 8.545 5.993 ( 0.752 -8.897 -2.915) 9.393 10.273 ( -4.521 5.102 2.830) 7.381 10.387 ( -3.385 -5.418 1.014) 6.468 11.352 ( 3.691 1.065 -0.599) 3.888 11.363 ( 4.925 0.061 -0.102) 4.926 12.697 ( 5.506 2.720 0.837) 6.198 12.804 ( 6.978 -6.809 -1.893) 9.932 14.263 ( -8.144 2.213 -1.138) 8.516 14.285 ( -8.825 0.347 -2.099) 9.077 14.689 ( 2.597 2.049 0.812) 3.406 14.697 ( 4.356 1.617 2.023) 5.068 15.254 ( -2.480 4.650 -0.925) 5.351 15.380 ( -0.459 -6.820 -3.142) 7.523 ======================= Grid point 160 (91/148) ======================= q-point: (-0.22 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 7.191 2.074 3.433) 8.234 1.150 ( 2.857 4.074 2.360) 5.507 1.262 ( -10.480 2.056 0.765) 10.707 1.293 ( -12.270 0.435 -6.001) 13.666 1.597 ( -1.591 0.602 2.439) 2.973 1.642 ( -2.391 -3.973 0.303) 4.647 2.060 ( 0.179 -1.194 -0.847) 1.474 2.096 ( -0.849 -4.835 1.048) 5.020 2.380 ( 0.786 9.951 -2.706) 10.343 2.483 ( -1.797 0.724 -0.992) 2.177 2.572 ( -0.243 -2.023 1.532) 2.549 2.654 ( 1.036 -8.576 -3.039) 9.157 2.889 ( -9.063 8.855 3.278) 13.088 3.034 ( -6.784 -3.180 0.311) 7.498 3.221 ( -2.900 6.844 -0.945) 7.493 3.432 ( -0.483 -10.045 -3.179) 10.547 3.557 ( 3.657 9.300 -0.782) 10.024 3.697 ( 1.348 -4.191 3.156) 5.417 4.033 ( 2.160 15.108 5.235) 16.135 4.341 ( -0.405 1.996 1.664) 2.630 4.396 ( -0.413 -2.304 -0.043) 2.341 4.416 ( 4.644 -17.142 3.294) 18.062 4.700 ( 2.529 5.950 1.145) 6.566 4.763 ( 0.430 -0.295 1.586) 1.670 4.906 ( 3.125 3.899 -5.027) 7.088 4.951 ( 4.444 -0.544 -8.045) 9.207 5.327 ( 5.245 -0.298 6.080) 8.035 5.340 ( 8.375 -1.345 6.419) 10.637 5.806 ( -1.290 7.632 -2.532) 8.144 5.977 ( 0.142 -7.641 -2.882) 8.168 10.215 ( -4.629 5.390 2.822) 7.645 10.335 ( -3.215 -5.718 0.821) 6.611 11.436 ( 5.537 2.355 0.462) 6.035 11.474 ( 7.161 -0.919 0.468) 7.234 12.813 ( 6.627 3.701 1.399) 7.719 12.943 ( 10.340 -7.769 -1.357) 13.005 14.103 ( -8.418 2.789 -0.590) 8.888 14.143 ( -7.266 -0.734 0.128) 7.304 14.694 ( -2.813 2.715 1.086) 4.058 14.733 ( -3.451 -0.861 2.223) 4.194 15.233 ( 2.290 4.869 -1.730) 5.652 15.339 ( 0.098 -4.936 -4.680) 6.802 ======================= Grid point 161 (92/148) ======================= q-point: (-0.11 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -10.139 3.512 -4.177) 11.514 1.055 ( -8.279 2.225 -3.737) 9.351 1.251 ( 2.255 4.201 3.349) 5.827 1.341 ( 9.930 -0.714 1.339) 10.045 1.619 ( 0.022 -1.310 3.089) 3.355 1.639 ( -0.192 -2.555 5.569) 6.130 2.084 ( 3.087 0.975 0.523) 3.279 2.118 ( 2.190 -2.007 1.501) 3.328 2.349 ( -0.652 7.574 -5.556) 9.416 2.449 ( -0.466 0.186 -1.257) 1.354 2.572 ( -2.194 -3.353 1.791) 4.388 2.631 ( -2.537 -9.172 -2.454) 9.828 2.767 ( -6.067 10.571 3.290) 12.624 2.930 ( -4.069 -2.176 0.186) 4.619 3.140 ( -5.275 8.114 1.105) 9.741 3.373 ( -1.292 -9.158 -3.206) 9.788 3.680 ( 6.951 5.203 1.844) 8.876 3.772 ( 2.672 -3.136 4.461) 6.072 4.127 ( 2.631 16.307 6.911) 17.905 4.371 ( 1.549 1.751 2.751) 3.610 4.406 ( 1.452 -0.769 -0.151) 1.651 4.519 ( 1.876 -17.359 6.806) 18.739 4.766 ( 3.294 3.087 1.418) 4.732 4.798 ( 2.309 0.387 -0.103) 2.344 4.930 ( 3.178 4.502 -0.802) 5.568 4.985 ( 4.280 -0.766 -1.587) 4.629 5.472 ( 3.592 2.346 8.069) 9.139 5.562 ( 8.588 -5.328 7.852) 12.798 5.742 ( -1.138 9.324 -5.066) 10.672 5.942 ( -0.996 -8.826 -3.739) 9.637 10.168 ( -3.310 5.702 2.791) 7.159 10.295 ( -1.980 -6.048 0.720) 6.405 11.532 ( 4.340 3.398 0.959) 5.595 11.599 ( 6.301 -2.612 0.365) 6.830 12.933 ( 4.530 6.696 2.090) 8.350 13.114 ( 9.377 -9.503 -1.521) 13.437 13.984 ( -4.894 2.923 1.386) 5.866 14.034 ( -5.490 -1.601 1.637) 5.948 14.625 ( -5.291 1.364 1.084) 5.571 14.638 ( -7.295 0.075 1.266) 7.405 15.281 ( 2.960 2.313 -2.612) 4.576 15.323 ( 3.384 -1.206 -4.245) 5.561 ======================= Grid point 189 (93/148) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -4.216 0.000 6.382) 7.649 0.987 ( 4.144 0.000 -2.838) 5.022 1.073 ( 3.796 0.000 9.616) 10.338 1.298 ( -4.334 0.000 -2.575) 5.041 1.708 ( 1.551 0.000 3.202) 3.558 1.781 ( 10.869 0.000 7.071) 12.966 2.044 ( -11.211 0.000 1.624) 11.328 2.078 ( 2.049 0.000 3.804) 4.321 2.242 ( -1.852 0.000 -6.282) 6.549 2.350 ( -6.104 0.000 4.773) 7.749 2.592 ( 0.346 0.000 7.930) 7.938 2.768 ( -5.971 0.000 0.813) 6.026 2.818 ( 0.104 0.000 3.582) 3.583 2.861 ( 4.749 0.000 -3.410) 5.846 3.082 ( 1.578 0.000 -4.020) 4.318 3.300 ( 5.425 0.000 -4.335) 6.945 3.646 ( 7.549 0.000 3.346) 8.257 3.810 ( -7.145 0.000 -2.185) 7.472 3.984 ( 3.684 0.000 5.320) 6.472 4.169 ( -3.323 0.000 -0.729) 3.402 4.215 ( 7.135 0.000 0.629) 7.163 4.559 ( -11.393 0.000 -10.621) 15.576 4.641 ( -0.173 0.000 -0.265) 0.317 4.671 ( 0.125 0.000 2.340) 2.343 5.083 ( 0.667 0.000 13.871) 13.887 5.417 ( 5.574 0.000 0.768) 5.626 5.571 ( 7.505 0.000 8.937) 11.670 5.891 ( -5.803 0.000 2.394) 6.278 6.017 ( 14.002 0.000 -2.001) 14.144 6.062 ( -3.924 0.000 -9.483) 10.263 10.051 ( -3.376 0.000 5.862) 6.765 10.336 ( 4.250 0.000 -7.357) 8.496 11.593 ( -2.774 0.000 4.778) 5.525 11.750 ( 8.370 0.000 -2.296) 8.679 13.158 ( -26.107 0.000 4.390) 26.473 13.361 ( 9.577 0.000 -4.112) 10.422 13.955 ( 5.625 0.000 1.925) 5.946 13.977 ( -4.523 0.000 0.580) 4.560 14.467 ( -2.736 0.000 1.895) 3.328 14.522 ( 3.474 0.000 -0.644) 3.533 15.053 ( -1.826 0.000 5.836) 6.115 15.304 ( 9.226 0.000 -5.453) 10.717 ======================= Grid point 190 (94/148) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 9.439 0.000 2.825) 9.853 1.162 ( 16.141 0.000 -1.769) 16.237 1.202 ( -1.915 0.000 -3.145) 3.682 1.247 ( 6.495 0.000 7.815) 10.162 1.697 ( -6.811 0.000 1.824) 7.051 1.798 ( -7.645 0.000 -4.993) 9.131 2.034 ( -0.203 0.000 8.039) 8.041 2.040 ( -4.094 0.000 2.430) 4.761 2.215 ( 4.958 0.000 1.348) 5.138 2.428 ( 7.462 0.000 0.934) 7.521 2.671 ( 3.223 0.000 3.705) 4.911 2.675 ( -4.614 0.000 0.439) 4.635 2.826 ( -2.587 0.000 2.955) 3.927 2.907 ( 3.552 0.000 -2.829) 4.541 3.117 ( 5.128 0.000 -1.249) 5.278 3.359 ( 5.366 0.000 -4.725) 7.150 3.647 ( -7.867 0.000 -5.190) 9.424 3.802 ( 5.862 0.000 5.437) 7.995 4.080 ( 2.602 0.000 5.369) 5.967 4.097 ( -6.146 0.000 0.470) 6.164 4.206 ( -10.962 0.000 -14.572) 18.234 4.409 ( 10.190 0.000 7.322) 12.548 4.668 ( -1.073 0.000 -1.011) 1.475 4.676 ( -0.032 0.000 2.207) 2.208 5.175 ( -1.820 0.000 9.239) 9.416 5.480 ( 3.399 0.000 -5.010) 6.055 5.684 ( -17.146 0.000 0.468) 17.153 5.698 ( -0.058 0.000 5.343) 5.343 5.881 ( -6.918 0.000 -12.854) 14.598 6.243 ( 13.213 0.000 -1.871) 13.344 10.061 ( -1.077 0.000 5.549) 5.652 10.365 ( 6.065 0.000 -7.218) 9.427 11.546 ( -6.022 0.000 2.590) 6.556 11.803 ( 0.980 0.000 -5.167) 5.259 12.787 ( -22.379 0.000 12.301) 25.537 13.425 ( -0.871 0.000 -0.440) 0.976 13.949 ( 1.241 0.000 0.617) 1.386 14.108 ( 9.173 0.000 0.197) 9.175 14.463 ( 0.756 0.000 1.261) 1.470 14.612 ( 7.186 0.000 -0.319) 7.193 15.068 ( -0.775 0.000 3.586) 3.669 15.358 ( 3.969 0.000 -9.317) 10.127 ======================= Grid point 191 (95/148) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 1.680 0.000 -1.985) 2.601 1.286 ( 11.277 0.000 0.709) 11.300 1.341 ( -1.263 0.000 0.037) 1.264 1.444 ( 14.399 0.000 -1.783) 14.509 1.537 ( -8.364 0.000 -2.884) 8.848 1.695 ( 1.204 0.000 0.652) 1.369 1.982 ( -3.906 0.000 -2.581) 4.681 2.037 ( -2.510 0.000 9.005) 9.348 2.423 ( 8.010 0.000 11.652) 14.139 2.531 ( 5.383 0.000 -3.641) 6.499 2.630 ( -0.479 0.000 -0.671) 0.825 2.734 ( 1.530 0.000 -5.197) 5.417 2.813 ( 0.541 0.000 4.987) 5.017 2.948 ( 3.687 0.000 -0.835) 3.781 3.224 ( 6.852 0.000 0.303) 6.859 3.342 ( -7.352 0.000 -4.454) 8.595 3.508 ( 3.327 0.000 -9.019) 9.613 3.879 ( -9.813 0.000 -6.119) 11.565 3.935 ( 3.805 0.000 5.724) 6.874 4.080 ( -1.262 0.000 -1.404) 1.888 4.169 ( 2.876 0.000 4.432) 5.284 4.592 ( -2.061 0.000 0.212) 2.072 4.668 ( -2.544 0.000 1.313) 2.863 4.678 ( 7.454 0.000 6.611) 9.963 5.131 ( -10.444 0.000 1.214) 10.514 5.398 ( -12.010 0.000 -0.800) 12.037 5.449 ( 1.219 0.000 -11.639) 11.702 5.608 ( -12.949 0.000 -9.302) 15.944 5.664 ( -5.912 0.000 -0.345) 5.922 6.417 ( 8.989 0.000 -3.724) 9.729 10.103 ( 0.603 0.000 5.200) 5.235 10.420 ( 6.934 0.000 -7.151) 9.960 11.441 ( -7.090 0.000 0.423) 7.102 11.707 ( -6.425 0.000 -4.646) 7.929 12.610 ( -11.269 0.000 14.050) 18.011 13.349 ( -6.834 0.000 0.997) 6.906 13.998 ( 2.063 0.000 1.680) 2.661 14.244 ( 7.310 0.000 -2.207) 7.636 14.490 ( -0.137 0.000 1.642) 1.647 14.739 ( 7.065 0.000 -2.858) 7.621 15.109 ( 3.581 0.000 1.733) 3.978 15.314 ( 1.249 0.000 -8.245) 8.339 ======================= Grid point 192 (96/148) ======================= q-point: ( 0.33 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 2.354 0.000 -2.016) 3.099 1.220 ( -6.234 0.000 -6.717) 9.164 1.315 ( -5.304 0.000 -3.881) 6.572 1.546 ( 7.394 0.000 2.390) 7.770 1.558 ( -1.321 0.000 -0.278) 1.350 1.792 ( 3.672 0.000 1.901) 4.135 1.979 ( 8.671 0.000 -1.688) 8.834 2.094 ( -0.690 0.000 11.378) 11.399 2.553 ( 2.985 0.000 -9.059) 9.538 2.574 ( 0.324 0.000 0.281) 0.428 2.670 ( 3.885 0.000 6.425) 7.509 2.670 ( -4.330 0.000 0.667) 4.382 2.902 ( 6.258 0.000 -1.696) 6.484 3.043 ( 7.615 0.000 -3.259) 8.283 3.110 ( -10.808 0.000 -1.568) 10.922 3.336 ( 5.475 0.000 -0.242) 5.481 3.576 ( 10.275 0.000 -7.401) 12.663 3.727 ( -4.400 0.000 -0.250) 4.407 4.015 ( 0.345 0.000 3.323) 3.341 4.073 ( -0.052 0.000 2.193) 2.194 4.244 ( 1.798 0.000 2.449) 3.039 4.490 ( -6.658 0.000 -3.111) 7.349 4.616 ( -4.471 0.000 1.091) 4.602 4.723 ( -11.100 0.000 -2.633) 11.408 4.990 ( -0.010 0.000 4.061) 4.061 5.199 ( -12.146 0.000 -9.819) 15.618 5.336 ( -0.355 0.000 -16.534) 16.538 5.402 ( -4.134 0.000 8.511) 9.462 5.511 ( -7.989 0.000 -5.428) 9.659 6.480 ( 3.337 0.000 -7.250) 7.981 10.161 ( 0.924 0.000 4.933) 5.019 10.475 ( 6.130 0.000 -7.259) 9.501 11.329 ( -5.137 0.000 -0.377) 5.151 11.539 ( -8.442 0.000 -2.783) 8.889 12.606 ( -2.900 0.000 13.232) 13.546 13.235 ( -6.832 0.000 1.032) 6.909 14.038 ( 1.322 0.000 1.630) 2.099 14.332 ( 5.773 0.000 -3.385) 6.692 14.465 ( -3.778 0.000 1.149) 3.949 14.729 ( -2.946 0.000 -9.520) 9.965 15.216 ( 5.563 0.000 2.755) 6.208 15.335 ( 7.030 0.000 -2.740) 7.545 ======================= Grid point 193 (97/148) ======================= q-point: (-0.56 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.562 0.000 -6.776) 6.799 1.072 ( -3.260 0.000 -7.232) 7.933 1.245 ( -0.882 0.000 3.515) 3.624 1.444 ( -9.985 0.000 1.020) 10.037 1.658 ( 2.173 0.000 5.183) 5.620 1.840 ( 1.924 0.000 -0.942) 2.142 2.178 ( 12.127 0.000 0.154) 12.128 2.184 ( 0.011 0.000 8.161) 8.161 2.492 ( 0.080 0.000 -8.659) 8.660 2.549 ( 0.027 0.000 -2.718) 2.718 2.616 ( -2.343 0.000 -0.917) 2.516 2.681 ( -6.255 0.000 -5.402) 8.265 2.978 ( 2.990 0.000 -0.737) 3.080 2.980 ( -1.161 0.000 5.858) 5.972 3.195 ( 6.601 0.000 -0.193) 6.604 3.394 ( 2.153 0.000 -2.284) 3.139 3.648 ( 2.876 0.000 -2.251) 3.652 3.807 ( 11.615 0.000 4.155) 12.336 3.973 ( -5.885 0.000 -2.804) 6.519 4.110 ( 0.989 0.000 4.218) 4.332 4.170 ( -12.869 0.000 -1.335) 12.938 4.387 ( 0.239 0.000 0.230) 0.332 4.542 ( -4.832 0.000 1.463) 5.049 4.552 ( -2.550 0.000 -3.547) 4.368 4.889 ( -13.113 0.000 -6.199) 14.504 4.998 ( -2.018 0.000 -0.627) 2.113 5.171 ( -1.803 0.000 -17.207) 17.301 5.335 ( -4.513 0.000 -8.427) 9.559 5.555 ( 6.102 0.000 16.992) 18.055 6.412 ( -2.041 0.000 -11.067) 11.254 10.209 ( -0.480 0.000 4.959) 4.982 10.501 ( 3.705 0.000 -7.441) 8.312 11.273 ( -1.141 0.000 0.373) 1.200 11.388 ( -6.466 0.000 -1.575) 6.655 12.720 ( 3.530 0.000 12.317) 12.812 13.136 ( -4.641 0.000 -0.668) 4.688 14.084 ( 2.117 0.000 2.556) 3.318 14.393 ( 4.825 0.000 -4.080) 6.319 14.398 ( -4.299 0.000 0.716) 4.359 14.527 ( -8.997 0.000 -9.689) 13.222 15.311 ( 1.420 0.000 3.706) 3.968 15.462 ( 8.441 0.000 -2.723) 8.869 ======================= Grid point 194 (98/148) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -1.270 0.000 -4.849) 5.013 1.006 ( 1.913 0.000 -5.139) 5.484 1.271 ( -11.287 0.000 2.994) 11.678 1.310 ( 1.062 0.000 8.211) 8.279 1.736 ( 2.702 0.000 4.264) 5.048 1.833 ( -2.054 0.000 -1.943) 2.828 2.158 ( -8.763 0.000 2.345) 9.072 2.359 ( 8.949 0.000 -2.170) 9.208 2.455 ( -7.173 0.000 -8.254) 10.935 2.464 ( 2.341 0.000 -4.529) 5.099 2.573 ( -0.718 0.000 -0.367) 0.806 2.593 ( 3.475 0.000 1.407) 3.749 2.969 ( -5.205 0.000 2.804) 5.912 3.014 ( -2.898 0.000 4.114) 5.032 3.264 ( 2.483 0.000 -1.033) 2.690 3.367 ( -1.178 0.000 -5.813) 5.932 3.721 ( 3.546 0.000 6.085) 7.043 3.793 ( -8.391 0.000 -5.928) 10.274 3.945 ( -9.810 0.000 -2.247) 10.064 4.082 ( 12.187 0.000 5.401) 13.330 4.183 ( 5.696 0.000 2.559) 6.245 4.414 ( 2.170 0.000 -3.277) 3.931 4.491 ( -2.235 0.000 2.427) 3.299 4.521 ( -0.406 0.000 -0.972) 1.053 4.693 ( -6.280 0.000 1.419) 6.438 4.978 ( 0.371 0.000 4.239) 4.255 5.017 ( -0.716 0.000 -12.164) 12.185 5.233 ( 1.282 0.000 -8.512) 8.608 5.820 ( 6.820 0.000 16.758) 18.092 6.233 ( -6.038 0.000 -14.099) 15.337 10.221 ( -3.184 0.000 5.348) 6.224 10.480 ( 1.309 0.000 -7.471) 7.585 11.295 ( 2.440 0.000 1.890) 3.086 11.300 ( -2.434 0.000 -0.619) 2.511 12.929 ( 9.214 0.000 10.414) 13.905 13.069 ( -0.866 0.000 -3.610) 3.713 14.150 ( 1.256 0.000 4.749) 4.913 14.278 ( -8.869 0.000 -7.697) 11.744 14.347 ( -1.743 0.000 1.238) 2.138 14.455 ( 3.774 0.000 -2.001) 4.272 15.315 ( -4.191 0.000 3.267) 5.314 15.538 ( 3.829 0.000 -6.232) 7.314 ======================= Grid point 195 (99/148) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.725 0.000 3.459) 3.534 1.033 ( 1.464 0.000 -1.589) 2.161 1.138 ( -4.552 0.000 4.864) 6.662 1.380 ( -1.546 0.000 7.488) 7.646 1.701 ( -10.830 0.000 -3.763) 11.465 1.817 ( 3.697 0.000 0.185) 3.701 1.960 ( -14.449 0.000 2.105) 14.601 2.284 ( -4.790 0.000 -2.573) 5.437 2.434 ( -1.918 0.000 -1.264) 2.297 2.495 ( 8.556 0.000 -4.754) 9.788 2.623 ( 1.687 0.000 7.276) 7.469 2.703 ( 6.254 0.000 1.551) 6.444 2.870 ( -8.506 0.000 4.069) 9.429 2.924 ( -7.683 0.000 -1.755) 7.881 3.269 ( -2.378 0.000 -9.228) 9.530 3.279 ( -0.770 0.000 1.212) 1.436 3.622 ( -4.733 0.000 -8.134) 9.411 3.802 ( -4.398 0.000 -1.168) 4.550 3.846 ( 2.799 0.000 8.758) 9.195 4.223 ( 2.569 0.000 5.997) 6.524 4.357 ( 5.859 0.000 -1.336) 6.010 4.363 ( -1.934 0.000 -8.717) 8.929 4.518 ( -1.434 0.000 5.407) 5.594 4.559 ( 9.524 0.000 4.360) 10.475 4.691 ( 0.746 0.000 6.967) 7.007 4.971 ( 3.363 0.000 -3.335) 4.736 5.138 ( 10.456 0.000 11.626) 15.637 5.242 ( 6.508 0.000 -5.980) 8.838 5.985 ( -7.560 0.000 -15.301) 17.067 6.045 ( 3.976 0.000 13.575) 14.146 10.190 ( -5.639 0.000 5.826) 8.109 10.430 ( 0.387 0.000 -7.412) 7.422 11.300 ( 2.461 0.000 0.782) 2.582 11.377 ( 3.938 0.000 3.604) 5.338 13.052 ( 3.893 0.000 -6.406) 7.496 13.192 ( 12.441 0.000 5.551) 13.623 14.105 ( -5.465 0.000 -2.336) 5.943 14.170 ( -3.359 0.000 4.173) 5.357 14.386 ( 2.947 0.000 4.753) 5.592 14.506 ( 3.469 0.000 -1.021) 3.616 15.230 ( -7.853 0.000 2.442) 8.224 15.466 ( -4.716 0.000 -9.829) 10.901 ======================= Grid point 196 (100/148) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -5.731 0.000 4.786) 7.466 1.049 ( -1.434 0.000 11.394) 11.484 1.240 ( 5.649 0.000 3.991) 6.917 1.345 ( -5.668 0.000 0.249) 5.673 1.434 ( -12.150 0.000 -4.387) 12.918 1.749 ( -9.318 0.000 3.899) 10.101 1.874 ( 1.224 0.000 1.481) 1.921 2.222 ( -3.240 0.000 2.520) 4.105 2.425 ( -1.005 0.000 5.895) 5.980 2.546 ( 1.982 0.000 -11.088) 11.264 2.680 ( -10.409 0.000 17.237) 20.136 2.771 ( -2.225 0.000 -0.239) 2.238 2.775 ( -0.544 0.000 -3.644) 3.684 2.820 ( 2.180 0.000 0.964) 2.383 3.164 ( -0.116 0.000 -8.675) 8.676 3.263 ( -1.120 0.000 -0.111) 1.125 3.500 ( -0.821 0.000 -7.252) 7.298 3.781 ( 1.909 0.000 0.742) 2.048 3.936 ( -0.769 0.000 6.804) 6.848 4.244 ( -2.699 0.000 -7.792) 8.247 4.280 ( -0.644 0.000 -0.250) 0.691 4.406 ( 3.322 0.000 3.413) 4.763 4.563 ( -0.223 0.000 7.996) 7.999 4.796 ( 1.985 0.000 11.344) 11.516 4.809 ( 10.795 0.000 5.253) 12.005 5.073 ( 8.118 0.000 2.827) 8.596 5.318 ( 5.546 0.000 -5.787) 8.015 5.488 ( 17.097 0.000 10.105) 19.860 5.770 ( -1.497 0.000 -11.092) 11.193 6.172 ( -0.359 0.000 8.702) 8.710 10.132 ( -6.421 0.000 6.093) 8.852 10.377 ( 0.868 0.000 -7.411) 7.462 11.400 ( 7.517 0.000 2.160) 7.821 11.480 ( 3.311 0.000 5.100) 6.080 13.100 ( 8.596 0.000 -7.926) 11.692 13.406 ( 8.987 0.000 -1.192) 9.065 14.049 ( -1.441 0.000 0.170) 1.451 14.126 ( -4.717 0.000 2.976) 5.577 14.480 ( 1.066 0.000 6.549) 6.636 14.546 ( 0.953 0.000 -0.755) 1.215 15.111 ( -7.497 0.000 2.785) 7.998 15.245 ( -9.187 0.000 -7.217) 11.683 ======================= Grid point 197 (101/148) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -16.177 0.000 9.454) 18.737 0.965 ( -0.639 0.000 6.461) 6.492 1.098 ( -12.081 0.000 -1.446) 12.167 1.331 ( 2.355 0.000 -0.050) 2.356 1.519 ( 11.814 0.000 5.437) 13.005 1.675 ( -2.041 0.000 1.683) 2.645 1.949 ( 3.797 0.000 6.898) 7.874 2.179 ( -6.115 0.000 4.252) 7.448 2.384 ( -5.834 0.000 -11.472) 12.870 2.465 ( -4.965 0.000 8.278) 9.653 2.563 ( -9.573 0.000 8.486) 12.793 2.785 ( -0.041 0.000 3.299) 3.300 2.796 ( 3.612 0.000 -0.524) 3.650 2.842 ( -1.123 0.000 -0.464) 1.215 3.112 ( 0.809 0.000 -6.728) 6.777 3.258 ( 2.338 0.000 -2.648) 3.532 3.509 ( 6.097 0.000 -1.505) 6.280 3.864 ( 5.195 0.000 3.105) 6.052 3.921 ( -4.870 0.000 1.628) 5.135 4.168 ( 0.510 0.000 -4.269) 4.299 4.231 ( -2.743 0.000 -1.653) 3.203 4.521 ( 4.259 0.000 5.275) 6.780 4.628 ( 0.584 0.000 5.855) 5.884 4.873 ( -5.951 0.000 -6.645) 8.920 4.939 ( 1.715 0.000 14.452) 14.554 5.279 ( 9.888 0.000 3.675) 10.549 5.355 ( 6.347 0.000 2.425) 6.794 5.812 ( 11.608 0.000 3.094) 12.014 5.813 ( 11.057 0.000 -3.262) 11.528 6.174 ( -4.325 0.000 1.573) 4.602 10.079 ( -5.434 0.000 6.081) 8.155 10.341 ( 2.306 0.000 -7.426) 7.776 11.564 ( 0.844 0.000 5.697) 5.759 11.580 ( 10.679 0.000 1.230) 10.749 13.214 ( 11.693 0.000 -7.296) 13.783 13.452 ( -4.040 0.000 -3.022) 5.045 13.966 ( -7.468 0.000 -0.370) 7.477 14.059 ( -5.446 0.000 1.909) 5.771 14.504 ( -3.424 0.000 4.241) 5.451 14.511 ( -1.690 0.000 -1.091) 2.011 15.046 ( -3.531 0.000 5.171) 6.261 15.176 ( 5.702 0.000 -1.182) 5.823 ======================= Grid point 198 (102/148) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -3.401 1.597 4.532) 5.887 0.951 ( 5.106 -3.546 -1.077) 6.309 1.142 ( -0.014 6.478 8.002) 10.296 1.365 ( -1.204 5.149 -3.418) 6.296 1.703 ( -0.402 -0.806 3.331) 3.451 1.755 ( 10.026 -1.111 5.709) 11.591 2.063 ( -3.180 -0.020 3.070) 4.420 2.124 ( -7.485 4.901 1.062) 9.010 2.229 ( 0.440 -0.769 -4.959) 5.037 2.351 ( -3.114 -0.430 -0.278) 3.156 2.589 ( 1.280 1.285 5.467) 5.760 2.730 ( -3.948 -0.349 7.388) 8.384 2.770 ( 3.892 -6.480 -1.894) 7.793 2.945 ( -1.877 5.211 0.553) 5.566 3.059 ( 0.593 -2.602 -2.824) 3.886 3.304 ( 4.862 0.572 -5.112) 7.078 3.689 ( 7.124 3.726 3.834) 8.906 3.852 ( -5.957 3.397 -1.503) 7.020 4.005 ( 3.997 2.659 6.826) 8.345 4.209 ( 1.241 3.837 -1.880) 4.450 4.284 ( 0.649 4.984 -0.631) 5.066 4.542 ( -7.275 0.557 -7.870) 10.733 4.636 ( 2.591 2.316 4.185) 5.440 4.785 ( -4.162 6.032 -3.671) 8.196 5.098 ( 0.917 1.195 12.008) 12.102 5.389 ( 4.332 -2.498 1.444) 5.205 5.545 ( 6.548 -2.390 9.849) 12.066 5.844 ( -1.970 -3.788 3.775) 5.699 5.983 ( 9.607 -2.973 -2.383) 10.335 6.033 ( -2.701 -2.923 -9.306) 10.121 10.073 ( -3.211 1.950 5.619) 6.759 10.339 ( 3.785 0.090 -6.670) 7.670 11.591 ( -2.100 -0.197 4.597) 5.058 11.750 ( 7.020 -0.331 -2.600) 7.493 13.053 ( -18.335 -6.579 7.662) 20.933 13.351 ( 5.180 -2.331 -6.462) 8.604 13.965 ( 5.421 1.601 2.596) 6.219 14.022 ( -2.778 2.616 0.243) 3.824 14.489 ( -3.437 2.000 1.743) 4.342 14.537 ( 2.352 1.255 -0.259) 2.678 15.083 ( -2.356 2.541 4.296) 5.519 15.312 ( 8.204 0.550 -5.564) 9.928 ======================= Grid point 199 (103/148) ======================= q-point: ( 0.11 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 9.130 -0.565 1.076) 9.211 1.157 ( 16.876 -1.647 -1.067) 16.990 1.210 ( 0.278 2.856 3.370) 4.426 1.357 ( 4.219 7.986 0.588) 9.051 1.674 ( -6.504 -1.164 1.937) 6.886 1.840 ( -4.261 2.488 -5.164) 7.143 2.002 ( -3.045 -1.193 4.726) 5.747 2.075 ( -1.330 2.997 6.745) 7.500 2.211 ( 3.419 0.098 -1.182) 3.619 2.388 ( 3.850 -4.182 0.343) 5.694 2.636 ( -1.099 -0.875 -0.398) 1.460 2.699 ( 1.655 -0.147 -1.475) 2.221 2.849 ( 2.822 -1.806 4.795) 5.850 2.921 ( -1.812 4.281 1.143) 4.787 3.096 ( 4.650 -2.569 -0.543) 5.340 3.340 ( 4.123 -1.479 -5.522) 7.048 3.689 ( -7.842 3.862 -3.829) 9.543 3.844 ( 4.764 3.258 4.843) 7.535 4.075 ( -3.225 2.549 2.888) 5.024 4.200 ( 0.204 6.560 -0.401) 6.575 4.284 ( -6.628 7.330 -9.365) 13.615 4.398 ( 6.689 -0.072 5.134) 8.433 4.696 ( -0.668 2.648 -0.027) 2.731 4.732 ( 0.477 4.064 1.157) 4.252 5.189 ( -1.095 1.117 8.543) 8.685 5.441 ( 2.344 -3.344 -3.862) 5.621 5.584 ( -12.082 -6.086 2.639) 13.783 5.747 ( -5.054 1.580 2.843) 6.010 5.882 ( -5.717 0.034 -11.462) 12.809 6.171 ( 12.263 -6.608 -1.902) 14.059 10.083 ( -0.942 2.015 5.329) 5.774 10.365 ( 5.526 -0.123 -6.421) 8.473 11.553 ( -5.544 0.550 2.505) 6.108 11.783 ( 0.121 -1.954 -4.699) 5.090 12.776 ( -19.349 -0.328 11.585) 22.554 13.362 ( -1.693 -5.485 -1.669) 5.978 14.000 ( 1.743 4.066 -0.638) 4.469 14.128 ( 8.992 1.562 0.677) 9.152 14.483 ( 0.998 1.859 1.342) 2.501 14.618 ( 6.555 0.522 0.477) 6.593 15.081 ( -1.299 1.293 3.131) 3.628 15.353 ( 3.344 -0.545 -8.494) 9.145 ======================= Grid point 200 (104/148) ======================= q-point: ( 0.22 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 6.357 3.027 -1.590) 7.218 1.265 ( 7.539 -0.377 -0.486) 7.564 1.408 ( 3.103 2.740 0.064) 4.140 1.476 ( 11.118 4.038 -0.385) 11.835 1.542 ( -5.626 0.473 -3.503) 6.644 1.714 ( -2.594 2.458 -0.573) 3.619 1.995 ( -1.703 0.562 0.828) 1.975 2.078 ( -1.725 4.501 5.990) 7.689 2.361 ( 6.001 -4.191 7.701) 10.624 2.458 ( 4.785 -5.624 0.572) 7.406 2.598 ( -0.435 -2.127 -2.265) 3.138 2.715 ( 2.108 -2.227 -5.591) 6.376 2.905 ( 0.715 0.073 -1.661) 1.810 2.939 ( 2.575 3.831 4.262) 6.282 3.175 ( 1.404 -3.127 2.530) 4.260 3.334 ( -0.186 -1.524 -4.890) 5.126 3.547 ( -0.261 3.897 -6.946) 7.969 3.929 ( -4.407 4.721 -3.960) 7.575 3.962 ( -0.631 2.387 3.773) 4.510 4.162 ( -0.053 7.416 -2.195) 7.735 4.260 ( 1.758 6.756 2.413) 7.386 4.533 ( -0.082 -1.905 4.632) 5.009 4.645 ( -1.088 0.887 -2.908) 3.229 4.812 ( 4.450 6.429 6.306) 10.045 5.156 ( -10.923 2.393 0.746) 11.207 5.329 ( -10.454 -5.965 -1.046) 12.081 5.399 ( -1.295 -3.917 -8.421) 9.377 5.637 ( -9.899 2.188 -10.139) 14.338 5.678 ( -7.069 0.958 -0.877) 7.187 6.337 ( 8.603 -7.444 -3.288) 11.842 10.126 ( 0.697 2.037 5.004) 5.448 10.418 ( 6.404 -0.302 -6.223) 8.935 11.452 ( -6.940 1.030 0.371) 7.026 11.687 ( -6.161 -1.828 -4.054) 7.599 12.616 ( -10.626 0.804 12.065) 16.097 13.274 ( -6.728 -6.610 0.191) 9.434 14.038 ( 2.351 3.713 -0.086) 4.396 14.266 ( 7.167 1.718 -1.610) 7.544 14.517 ( 0.314 2.353 1.432) 2.773 14.742 ( 6.337 0.239 -1.350) 6.484 15.110 ( 3.032 0.213 1.399) 3.346 15.313 ( 1.145 -0.276 -7.184) 7.280 ======================= Grid point 201 (105/148) ======================= q-point: ( 0.33 0.14 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 2.417 6.167 -3.370) 7.432 1.291 ( -6.528 3.135 -4.825) 8.702 1.342 ( -1.781 4.393 -4.468) 6.514 1.510 ( 5.146 -1.454 1.266) 5.495 1.601 ( -0.489 3.057 0.108) 3.097 1.773 ( 4.229 -1.594 2.779) 5.306 2.002 ( 5.378 1.858 -0.809) 5.747 2.150 ( 1.467 4.984 9.301) 10.654 2.463 ( 3.504 -5.546 -1.756) 6.791 2.544 ( 0.810 -5.736 -1.157) 5.907 2.594 ( 1.817 0.373 0.305) 1.880 2.693 ( 0.345 -3.929 -2.828) 4.853 2.915 ( 0.994 -2.621 0.238) 2.813 3.009 ( 4.152 1.207 -2.001) 4.765 3.124 ( -5.340 1.344 3.051) 6.295 3.337 ( 4.054 -1.202 -4.003) 5.822 3.593 ( 9.112 0.975 -2.961) 9.631 3.795 ( -3.847 7.534 -4.417) 9.543 4.008 ( -0.716 -0.535 4.021) 4.119 4.173 ( 1.184 7.616 0.728) 7.742 4.291 ( -1.428 2.853 0.830) 3.296 4.480 ( -4.412 2.290 -0.482) 4.995 4.601 ( -2.809 -0.774 -2.841) 4.070 4.820 ( -13.786 6.018 -2.148) 15.195 4.994 ( 1.090 0.500 4.374) 4.535 5.177 ( -9.528 -1.965 -8.201) 12.724 5.304 ( -0.504 -2.789 -7.535) 8.051 5.423 ( -4.661 2.356 -0.402) 5.238 5.514 ( -8.403 0.132 -5.145) 9.854 6.401 ( 3.372 -7.242 -6.493) 10.295 10.183 ( 0.996 2.025 4.766) 5.273 10.473 ( 5.690 -0.319 -6.226) 8.440 11.340 ( -5.330 0.960 -0.464) 5.435 11.531 ( -7.904 -0.831 -2.638) 8.374 12.595 ( -3.367 -0.774 11.140) 11.664 13.157 ( -6.549 -6.988 0.104) 9.577 14.077 ( 2.239 3.715 0.440) 4.360 14.355 ( 5.485 1.958 -2.806) 6.464 14.498 ( -3.266 2.733 0.769) 4.328 14.739 ( -3.379 0.767 -7.080) 7.882 15.209 ( 5.683 -0.560 2.307) 6.159 15.332 ( 6.167 -0.370 -2.425) 6.637 ======================= Grid point 202 (106/148) ======================= q-point: (-0.56 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.150 3.728 -7.154) 8.068 1.126 ( -5.786 3.010 -6.557) 9.248 1.319 ( 0.068 7.076 3.326) 7.819 1.509 ( -7.711 5.695 0.444) 9.596 1.621 ( 3.115 -2.491 5.047) 6.433 1.827 ( 1.076 -1.060 -0.470) 1.582 2.147 ( 5.940 -0.763 4.691) 7.608 2.253 ( 4.098 3.922 2.863) 6.354 2.452 ( 0.216 -2.843 -6.483) 7.082 2.496 ( -1.624 -6.105 -7.067) 9.479 2.589 ( -1.947 -0.251 0.645) 2.066 2.671 ( -0.805 -1.337 -2.436) 2.893 2.962 ( -0.369 0.601 7.349) 7.383 3.047 ( 5.251 1.629 -3.687) 6.620 3.144 ( 1.924 -2.724 2.569) 4.210 3.349 ( 1.359 -3.526 -5.260) 6.477 3.728 ( -1.708 4.528 0.850) 4.914 3.780 ( 12.063 0.146 -0.363) 12.069 4.002 ( -1.516 1.212 0.657) 2.049 4.142 ( -14.800 0.432 -0.522) 14.815 4.194 ( 0.570 6.302 0.738) 6.370 4.450 ( 1.250 5.087 -1.443) 5.433 4.523 ( -1.370 -0.952 -2.097) 2.680 4.633 ( -6.016 5.339 0.248) 8.048 4.910 ( -11.133 1.613 -6.508) 12.996 4.999 ( -2.504 0.308 0.286) 2.539 5.162 ( -2.008 -0.758 -16.186) 16.328 5.331 ( -5.162 -0.460 -7.803) 9.367 5.550 ( 5.975 -0.059 15.853) 16.942 6.346 ( -1.524 -6.122 -10.138) 11.941 10.231 ( -0.409 2.016 4.814) 5.235 10.500 ( 3.347 -0.134 -6.400) 7.224 11.277 ( -1.419 0.465 0.251) 1.514 11.388 ( -6.105 -0.148 -1.695) 6.338 12.678 ( 2.362 -3.423 10.336) 11.141 13.057 ( -4.079 -6.952 -1.548) 8.208 14.132 ( 3.081 4.436 1.862) 5.713 14.409 ( 1.845 2.160 -1.353) 3.147 14.442 ( -1.273 2.876 -2.491) 4.012 14.554 ( -8.810 2.312 -6.883) 11.417 15.303 ( 1.532 -0.678 3.407) 3.796 15.444 ( 7.603 -1.619 -2.559) 8.184 ======================= Grid point 203 (107/148) ======================= q-point: (-0.44 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -3.216 1.016 -3.544) 4.892 1.073 ( 2.926 4.033 -4.603) 6.783 1.297 ( -9.270 4.441 5.366) 11.595 1.441 ( -0.246 9.477 3.912) 10.255 1.700 ( 1.107 -2.471 4.348) 5.123 1.807 ( -2.199 -2.208 -1.949) 3.676 2.148 ( -8.655 -0.276 2.473) 9.006 2.334 ( -1.848 -4.292 -2.789) 5.442 2.393 ( 4.552 -3.341 -4.245) 7.064 2.458 ( 3.552 0.748 -4.384) 5.691 2.605 ( 1.831 1.027 0.469) 2.151 2.633 ( 1.588 2.744 -2.232) 3.877 2.956 ( -6.370 1.181 6.265) 9.012 3.093 ( -3.276 3.795 -0.481) 5.037 3.201 ( 4.757 -4.597 0.767) 6.659 3.297 ( -1.046 -5.273 -6.701) 8.591 3.743 ( 0.434 0.731 4.101) 4.189 3.812 ( -7.482 1.958 -4.526) 8.961 3.905 ( -8.602 -1.837 1.538) 8.930 4.122 ( 11.923 3.517 3.622) 12.948 4.224 ( 2.699 3.638 1.037) 4.647 4.446 ( 1.047 1.642 -5.111) 5.470 4.526 ( 0.362 1.962 2.216) 2.982 4.579 ( -0.943 5.226 0.076) 5.311 4.733 ( -4.818 3.641 -0.914) 6.108 4.980 ( -1.114 0.091 2.431) 2.675 5.024 ( 1.139 0.969 -8.257) 8.392 5.226 ( 0.936 -0.694 -7.715) 7.802 5.792 ( 5.348 -2.155 15.360) 16.406 6.191 ( -4.466 -3.899 -12.889) 14.187 10.243 ( -3.134 1.990 5.183) 6.375 10.482 ( 0.950 0.067 -6.535) 6.604 11.296 ( 2.036 0.040 1.659) 2.626 11.304 ( -1.724 0.329 -0.628) 1.864 12.842 ( 6.697 -6.945 8.940) 13.153 12.998 ( 0.305 -6.202 -3.879) 7.321 14.197 ( 0.419 3.865 3.567) 5.276 14.300 ( -8.892 2.154 -6.903) 11.462 14.408 ( 0.976 5.022 1.951) 5.476 14.493 ( 3.272 3.227 -1.766) 4.923 15.307 ( -4.086 -0.726 2.992) 5.116 15.513 ( 3.391 -2.385 -5.608) 6.974 ======================= Grid point 204 (108/148) ======================= q-point: (-0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 1.962 1.575 2.628) 3.638 1.128 ( 3.937 2.474 1.351) 4.842 1.166 ( -8.521 6.905 4.569) 11.882 1.466 ( -3.644 6.423 4.917) 8.872 1.631 ( -9.835 -4.826 -2.354) 11.206 1.800 ( 1.749 -2.216 0.639) 2.894 1.988 ( -9.180 3.226 1.166) 9.800 2.254 ( -3.180 -2.929 0.009) 4.323 2.407 ( -2.954 -1.770 -3.395) 4.836 2.481 ( 4.528 -2.095 -0.962) 5.081 2.657 ( 3.980 1.606 0.535) 4.325 2.736 ( 7.845 2.984 -0.241) 8.397 2.866 ( -9.723 2.117 6.391) 11.827 2.953 ( -8.819 0.266 -2.554) 9.185 3.190 ( -1.614 -4.637 -6.546) 8.183 3.289 ( 0.515 0.562 1.804) 1.958 3.625 ( -6.154 0.175 -7.001) 9.323 3.756 ( -1.877 -1.527 1.449) 2.820 3.886 ( 0.729 1.603 7.273) 7.483 4.264 ( 2.421 2.901 5.641) 6.789 4.319 ( 2.563 -0.156 -3.844) 4.623 4.432 ( 2.915 3.289 -4.474) 6.271 4.568 ( -0.048 4.169 2.136) 4.685 4.593 ( 5.665 2.229 3.114) 6.838 4.737 ( 2.599 3.759 5.479) 7.135 4.958 ( 2.145 -1.056 -1.358) 2.750 5.171 ( 11.029 2.606 9.252) 14.629 5.242 ( 6.859 0.099 -4.351) 8.123 5.878 ( -6.523 -6.510 -3.450) 9.840 6.079 ( 2.527 0.205 1.294) 2.847 10.211 ( -5.592 1.904 5.606) 8.144 10.433 ( 0.052 0.165 -6.594) 6.597 11.309 ( 2.793 0.822 0.785) 3.015 11.379 ( 4.254 0.129 3.300) 5.386 12.966 ( 3.819 -7.498 -3.193) 9.000 13.086 ( 10.552 -8.111 3.333) 13.720 14.110 ( -7.396 1.513 -2.255) 7.879 14.194 ( -3.925 2.033 3.320) 5.528 14.495 ( 4.524 6.966 2.039) 8.553 14.552 ( 4.906 4.554 0.751) 6.735 15.221 ( -7.697 -0.704 2.084) 8.005 15.449 ( -3.961 -1.650 -8.634) 9.641 ======================= Grid point 205 (109/148) ======================= q-point: (-0.22 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -5.229 3.254 5.533) 8.279 1.115 ( -4.861 4.964 10.643) 12.710 1.211 ( 0.159 -1.300 2.083) 2.461 1.377 ( -0.649 -0.291 -1.715) 1.857 1.446 ( -9.940 3.421 -0.050) 10.512 1.772 ( -4.079 0.411 -0.945) 4.207 1.929 ( -0.245 6.365 3.595) 7.314 2.216 ( -2.977 -1.138 2.921) 4.323 2.358 ( -1.888 -4.784 2.739) 5.827 2.547 ( 4.075 -3.725 -2.381) 6.013 2.693 ( -3.319 3.033 -7.633) 8.859 2.715 ( -6.886 -2.976 0.442) 7.515 2.740 ( -8.176 2.499 10.145) 13.267 2.917 ( 3.905 0.097 1.373) 4.141 3.153 ( 3.071 1.909 -4.353) 5.659 3.269 ( -3.728 0.618 1.380) 4.023 3.502 ( 0.317 -0.251 -7.955) 7.966 3.770 ( 2.013 0.818 2.311) 3.172 3.958 ( -0.730 0.914 6.912) 7.010 4.263 ( -1.425 2.147 -5.816) 6.361 4.370 ( 3.827 2.957 5.698) 7.474 4.409 ( -0.775 4.079 -4.403) 6.052 4.597 ( 0.565 3.129 4.443) 5.463 4.758 ( 4.752 -0.198 8.496) 9.737 4.897 ( 7.322 3.576 8.780) 11.979 5.055 ( 7.717 -1.836 3.721) 8.762 5.333 ( 6.256 1.777 -5.178) 8.313 5.508 ( 15.987 1.432 8.906) 18.356 5.689 ( -3.645 -6.310 -7.905) 10.751 6.155 ( 0.168 -2.089 4.882) 5.313 10.153 ( -6.310 1.846 5.838) 8.792 10.381 ( 0.569 0.220 -6.696) 6.723 11.410 ( 6.843 0.820 2.418) 7.304 11.487 ( 4.444 0.666 4.126) 6.101 13.023 ( 7.151 -6.499 -5.103) 10.928 13.287 ( 9.521 -9.589 0.070) 13.513 14.002 ( -5.150 -0.838 1.178) 5.349 14.145 ( -4.789 1.344 3.470) 6.065 14.540 ( 0.678 3.180 -0.057) 3.252 14.657 ( 1.934 7.865 1.692) 8.274 15.113 ( -4.507 0.541 1.878) 4.912 15.261 ( -8.062 1.189 -6.552) 10.456 ======================= Grid point 206 (110/148) ======================= q-point: (-0.11 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -10.908 -1.713 3.034) 11.451 0.978 ( -7.455 0.948 6.847) 10.166 1.173 ( -9.722 6.601 3.436) 12.243 1.365 ( 3.175 1.968 0.418) 3.759 1.525 ( 10.328 1.631 4.181) 11.261 1.702 ( -2.083 1.180 -0.698) 2.494 1.998 ( 3.082 5.044 5.749) 8.246 2.192 ( -3.355 0.100 3.697) 4.994 2.327 ( -4.892 -4.272 -1.743) 6.724 2.482 ( -6.271 0.794 -5.064) 8.099 2.570 ( -5.390 1.554 2.970) 6.347 2.666 ( -0.787 -4.163 10.054) 10.910 2.757 ( 1.304 -2.778 -0.609) 3.128 2.961 ( 0.612 1.189 -0.356) 1.384 3.124 ( -4.194 2.749 -2.354) 5.539 3.260 ( 4.133 0.665 -3.330) 5.349 3.536 ( 7.605 2.401 -1.256) 8.073 3.855 ( 4.178 1.455 3.848) 5.864 3.959 ( -3.602 1.960 2.983) 5.071 4.210 ( 0.413 3.687 -3.944) 5.415 4.332 ( -2.318 7.114 -3.915) 8.444 4.506 ( 4.296 -0.449 6.524) 7.824 4.636 ( 0.009 1.999 1.652) 2.593 4.879 ( -0.876 1.062 6.755) 6.894 5.013 ( -0.715 4.102 3.824) 5.654 5.283 ( 11.030 0.342 6.084) 12.601 5.325 ( 2.696 -2.281 -0.081) 3.533 5.721 ( 8.555 -5.692 1.101) 10.334 5.824 ( 12.510 -0.785 1.806) 12.665 6.141 ( -3.827 -3.312 -0.557) 5.092 10.099 ( -5.273 1.876 5.821) 8.075 10.346 ( 1.955 0.216 -6.772) 7.052 11.545 ( 3.191 -0.791 4.824) 5.837 11.612 ( 8.079 1.699 1.143) 8.335 13.117 ( 5.737 -7.614 -1.834) 9.708 13.375 ( 1.446 -6.493 -4.382) 7.966 13.929 ( -4.048 -0.319 2.230) 4.633 14.087 ( -4.998 1.256 2.639) 5.790 14.530 ( -0.942 1.925 -0.822) 2.295 14.585 ( -7.914 4.605 0.924) 9.203 15.104 ( -3.321 4.555 1.969) 5.971 15.188 ( 7.001 1.187 -1.286) 7.217 ======================= Grid point 207 (111/148) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -3.646 -0.392 0.071) 3.668 0.880 ( 5.962 -1.755 0.063) 6.215 1.291 ( -1.361 6.409 5.648) 8.650 1.463 ( 3.506 3.024 -3.295) 5.683 1.701 ( -1.011 1.939 4.501) 5.004 1.765 ( 6.272 1.743 3.833) 7.554 2.050 ( -5.149 -0.238 1.658) 5.414 2.211 ( 3.936 -0.871 -2.638) 4.818 2.229 ( -3.259 3.565 0.821) 4.899 2.329 ( -4.614 -1.791 -5.270) 7.230 2.598 ( 0.902 -3.423 0.141) 3.543 2.672 ( 5.459 -0.808 -3.592) 6.585 2.749 ( -6.000 2.148 9.573) 11.501 2.919 ( 5.343 -6.432 -3.468) 9.052 3.044 ( -5.518 1.903 4.067) 7.114 3.320 ( 2.618 0.088 -5.746) 6.315 3.786 ( 4.978 4.878 4.979) 8.566 3.916 ( -3.946 1.814 0.522) 4.374 4.132 ( 4.204 9.824 8.472) 13.637 4.309 ( 1.728 5.048 -1.956) 5.683 4.383 ( -0.558 3.905 -1.089) 4.092 4.622 ( -1.707 5.769 -2.436) 6.491 4.721 ( 1.904 5.325 0.817) 5.714 4.891 ( -4.592 3.724 -4.527) 7.446 5.107 ( 2.141 -1.329 9.639) 9.963 5.311 ( 2.651 -5.017 3.882) 6.876 5.489 ( 3.258 -1.424 8.620) 9.325 5.778 ( 2.799 -1.417 4.374) 5.383 5.878 ( 1.145 -7.314 -3.870) 8.353 5.953 ( 1.509 -4.010 -6.075) 7.434 10.131 ( -2.631 3.374 4.711) 6.364 10.329 ( 2.353 -1.205 -4.202) 4.964 11.590 ( -0.711 0.291 3.399) 3.485 11.724 ( 4.135 -2.230 -2.470) 5.308 12.969 ( -10.217 -0.643 7.530) 12.708 13.262 ( 3.091 -5.508 -6.255) 8.889 14.009 ( 5.245 2.104 2.809) 6.311 14.061 ( -0.745 1.003 0.787) 1.477 14.540 ( -3.570 2.451 1.518) 4.589 14.568 ( 0.517 1.457 0.492) 1.622 15.149 ( -2.126 3.491 1.455) 4.338 15.315 ( 5.541 -0.527 -5.170) 7.596 ======================= Grid point 208 (112/148) ======================= q-point: ( 0.11 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 9.311 0.090 -1.345) 9.408 1.088 ( 15.343 -4.217 0.892) 15.937 1.314 ( 0.134 5.960 0.989) 6.043 1.511 ( 5.595 4.943 -1.472) 7.609 1.681 ( -5.073 2.427 1.854) 5.922 1.869 ( 1.717 0.333 -1.853) 2.548 1.993 ( -2.632 0.533 3.136) 4.128 2.181 ( -1.326 5.301 4.783) 7.262 2.231 ( 1.147 1.740 -3.394) 3.983 2.293 ( 1.378 -3.202 1.034) 3.636 2.577 ( -1.318 -4.060 -3.500) 5.520 2.661 ( -2.483 -3.609 1.724) 4.708 2.798 ( 5.088 -3.150 -5.080) 7.850 2.995 ( 4.725 -5.707 0.105) 7.410 3.035 ( -1.608 5.357 8.494) 10.170 3.312 ( 2.162 -1.313 -6.254) 6.746 3.790 ( -6.894 4.867 -0.957) 8.493 3.902 ( 1.442 1.567 4.097) 4.617 4.201 ( -2.486 8.790 2.543) 9.482 4.334 ( 2.321 4.898 -1.505) 5.625 4.441 ( 2.816 4.525 4.400) 6.911 4.499 ( -2.043 12.023 -6.590) 13.862 4.764 ( -1.775 3.416 -1.752) 4.230 4.818 ( 1.562 3.429 1.753) 4.156 5.199 ( 0.024 -1.267 6.816) 6.933 5.354 ( 0.708 -4.558 -1.377) 4.814 5.462 ( -12.175 -3.755 1.986) 12.895 5.767 ( -3.166 0.286 1.933) 3.721 5.876 ( -3.292 -0.812 -8.048) 8.733 5.977 ( 8.899 -10.911 -1.711) 14.184 10.143 ( -0.462 3.493 4.503) 5.718 10.351 ( 4.028 -1.408 -3.901) 5.782 11.568 ( -4.186 0.958 1.767) 4.644 11.723 ( -1.255 -3.436 -3.395) 4.991 12.802 ( -14.262 3.110 8.126) 16.707 13.217 ( -4.056 -7.688 -2.702) 9.102 14.088 ( 3.960 3.740 -1.781) 5.731 14.160 ( 8.682 1.166 0.938) 8.810 14.536 ( 1.379 2.832 1.545) 3.509 14.630 ( 5.067 0.396 1.706) 5.361 15.126 ( -1.927 2.899 1.605) 3.833 15.329 ( 1.885 -1.797 -6.445) 6.952 ======================= Grid point 209 (113/148) ======================= q-point: ( 0.22 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 13.224 0.588 -1.057) 13.279 1.310 ( 0.459 2.995 0.058) 3.031 1.368 ( 14.108 -3.129 -1.866) 14.571 1.551 ( -3.629 0.276 -5.572) 6.655 1.633 ( 3.975 7.567 0.826) 8.587 1.797 ( -5.483 4.152 -1.323) 7.004 2.013 ( 1.218 1.768 2.511) 3.304 2.198 ( -0.418 4.882 2.399) 5.455 2.303 ( 4.348 -1.178 2.794) 5.301 2.344 ( 3.380 -3.428 4.189) 6.381 2.550 ( 2.084 -2.071 -2.577) 3.908 2.624 ( -1.787 -6.056 -2.637) 6.843 2.804 ( 1.579 -5.348 -5.256) 7.663 3.052 ( -0.748 0.423 5.605) 5.670 3.115 ( 2.474 -0.001 4.157) 4.838 3.291 ( 2.066 -2.007 -6.740) 7.330 3.661 ( -4.196 6.234 -3.427) 8.260 3.949 ( -0.411 -1.703 4.644) 4.963 4.134 ( -4.178 11.715 -3.240) 12.853 4.351 ( 0.975 8.188 -3.869) 9.108 4.370 ( -1.460 3.625 -1.326) 4.127 4.595 ( 2.518 6.779 4.488) 8.511 4.680 ( -3.032 2.659 -4.174) 5.804 4.915 ( 3.603 2.218 6.744) 7.961 5.167 ( -12.148 -6.654 -3.593) 14.309 5.247 ( -5.223 5.388 2.106) 7.794 5.310 ( -2.184 -4.147 -5.589) 7.294 5.679 ( -7.345 1.072 -3.574) 8.239 5.696 ( -8.223 1.091 -6.678) 10.649 6.114 ( 7.491 -13.007 -1.989) 15.141 10.186 ( 1.051 3.534 4.274) 5.645 10.399 ( 4.970 -1.582 -3.571) 6.320 11.481 ( -6.270 1.675 -0.067) 6.490 11.635 ( -5.396 -2.890 -2.946) 6.793 12.655 ( -9.799 3.030 7.374) 12.633 13.096 ( -7.213 -9.382 -1.060) 11.882 14.140 ( 3.690 5.297 -2.194) 6.818 14.300 ( 7.394 1.094 -1.341) 7.594 14.580 ( 1.026 3.415 1.337) 3.808 14.742 ( 4.817 -0.486 1.133) 4.972 15.128 ( 1.732 1.634 0.573) 2.449 15.295 ( 0.831 -1.544 -5.014) 5.311 ======================= Grid point 210 (114/148) ======================= q-point: ( 0.33 0.29 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.456 4.864 -4.952) 6.956 1.297 ( 0.655 -0.775 -2.169) 2.395 1.415 ( 0.808 1.242 -4.253) 4.503 1.564 ( 4.560 2.597 -1.007) 5.344 1.673 ( 1.255 5.504 -0.297) 5.653 1.764 ( 0.421 1.463 3.842) 4.133 2.050 ( 2.937 2.814 -0.550) 4.104 2.249 ( 3.205 2.036 3.084) 4.892 2.377 ( 3.427 -2.751 -0.405) 4.413 2.439 ( 1.737 -2.550 0.621) 3.147 2.561 ( -1.300 -6.645 -2.068) 7.080 2.600 ( 3.943 0.444 -0.305) 3.979 2.807 ( 2.914 -4.919 -0.882) 5.785 3.066 ( -3.852 -0.128 7.462) 8.398 3.136 ( -0.654 0.820 -1.519) 1.846 3.295 ( 3.915 -1.955 -5.317) 6.886 3.629 ( 3.274 3.102 -1.404) 4.724 3.954 ( -3.963 -3.054 2.650) 5.662 4.038 ( -0.693 12.501 -4.932) 13.456 4.309 ( -2.928 3.807 -0.857) 4.879 4.374 ( 0.897 5.016 -0.731) 5.148 4.585 ( -3.477 3.079 -5.660) 7.322 4.616 ( -2.130 5.009 0.232) 5.448 4.866 ( -11.783 -3.283 -1.508) 12.325 5.035 ( 0.492 3.293 0.591) 3.382 5.141 ( -8.256 -0.394 -4.248) 9.293 5.257 ( 0.616 -0.157 -4.691) 4.734 5.502 ( -6.424 3.663 -1.821) 7.616 5.509 ( -7.211 0.425 -5.174) 8.886 6.185 ( 3.537 -12.589 -4.214) 13.738 10.244 ( 1.267 3.512 4.135) 5.571 10.455 ( 4.486 -1.574 -3.401) 5.846 11.369 ( -5.584 1.763 -0.903) 5.925 11.503 ( -6.715 -1.741 -2.401) 7.341 12.590 ( -4.403 0.694 6.457) 7.846 12.969 ( -6.016 -9.856 -1.291) 11.619 14.188 ( 3.963 6.252 -1.381) 7.530 14.397 ( 6.003 1.436 -2.778) 6.769 14.569 ( -3.119 3.839 0.934) 5.034 14.750 ( -3.846 -0.050 -2.574) 4.629 15.201 ( 5.212 0.105 1.233) 5.357 15.313 ( 4.673 -1.539 -1.834) 5.251 ======================= Grid point 211 (115/148) ======================= q-point: (-0.56 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -5.895 0.989 -5.039) 7.818 1.170 ( -4.583 0.979 -6.080) 7.677 1.489 ( 4.040 6.732 -0.234) 7.854 1.582 ( -2.652 2.300 2.807) 4.495 1.681 ( -0.186 7.113 2.234) 7.458 1.807 ( 0.647 -0.312 0.738) 1.030 2.139 ( 4.804 -0.306 3.819) 6.145 2.315 ( 1.108 -3.606 -2.307) 4.422 2.329 ( -5.321 -3.163 -3.995) 7.367 2.429 ( 3.556 1.321 -4.196) 5.656 2.594 ( 1.840 -0.131 1.050) 2.123 2.648 ( 1.516 -0.456 -0.427) 1.639 2.903 ( 7.264 -5.466 1.956) 9.299 3.050 ( -4.579 -2.941 6.251) 8.288 3.129 ( 2.647 1.971 -2.771) 4.309 3.299 ( 1.071 -0.385 -5.210) 5.333 3.724 ( 4.937 -0.610 2.860) 5.738 3.857 ( -5.421 0.524 -1.420) 5.629 4.060 ( 5.450 6.797 -1.214) 8.797 4.189 ( -12.120 3.192 0.364) 12.538 4.359 ( -1.916 7.372 -2.154) 7.915 4.461 ( -1.251 -2.264 -4.838) 5.486 4.599 ( -0.127 5.527 -0.296) 5.537 4.726 ( -3.465 2.779 -2.078) 4.904 4.935 ( -7.373 0.836 -6.136) 9.629 5.019 ( -3.718 1.235 2.156) 4.471 5.149 ( -2.403 -0.005 -12.857) 13.079 5.311 ( -6.346 -1.527 -6.524) 9.229 5.583 ( 4.840 3.770 11.392) 12.939 6.166 ( -0.049 -10.314 -7.232) 12.597 10.290 ( -0.179 3.447 4.232) 5.461 10.487 ( 2.356 -1.267 -3.496) 4.402 11.293 ( -2.080 1.036 -0.355) 2.350 11.378 ( -5.155 -0.814 -1.917) 5.560 12.608 ( 0.397 -2.397 5.915) 6.395 12.874 ( -2.791 -9.319 -2.560) 10.059 14.257 ( 4.172 6.796 0.193) 7.977 14.462 ( 4.127 2.080 -3.714) 5.929 14.512 ( -3.412 3.642 -0.018) 4.990 14.606 ( -7.834 2.008 -2.430) 8.444 15.287 ( 1.832 -0.646 2.385) 3.077 15.395 ( 5.586 -2.894 -2.061) 6.620 ======================= Grid point 212 (116/148) ======================= q-point: (-0.44 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -4.187 0.955 -1.605) 4.584 1.118 ( 1.634 -0.003 -2.191) 2.734 1.446 ( -8.237 7.935 2.678) 11.747 1.598 ( 2.182 3.154 0.664) 3.893 1.715 ( -1.574 5.008 5.815) 7.834 1.757 ( -6.381 -1.616 -1.560) 6.765 2.162 ( -5.224 -0.329 -1.740) 5.516 2.221 ( -3.663 -3.339 3.126) 5.860 2.312 ( 3.614 -3.527 -4.125) 6.520 2.496 ( 4.620 1.342 -4.248) 6.418 2.615 ( 0.438 -0.098 0.856) 0.967 2.653 ( 2.753 -0.542 -2.354) 3.663 2.997 ( -3.743 -0.053 4.595) 5.927 3.033 ( 1.510 -5.539 -0.989) 5.825 3.187 ( 5.598 0.101 -1.787) 5.877 3.245 ( -1.523 2.809 -4.301) 5.358 3.741 ( -4.582 -0.129 1.626) 4.864 3.829 ( 1.667 -1.209 0.914) 2.253 3.937 ( -14.803 5.079 1.787) 15.751 4.218 ( 11.371 4.513 1.531) 12.330 4.320 ( -0.573 4.719 -0.598) 4.792 4.434 ( 0.824 -2.278 -4.006) 4.682 4.591 ( -1.491 3.655 2.068) 4.456 4.682 ( 0.857 3.644 -4.333) 5.726 4.811 ( -2.216 3.010 -2.197) 4.335 4.969 ( -3.497 -1.395 -1.529) 4.064 5.072 ( 3.257 3.290 -0.704) 4.683 5.207 ( 0.597 -0.989 -5.389) 5.511 5.759 ( 2.852 -0.222 10.743) 11.118 6.077 ( -1.245 -6.539 -9.456) 11.564 10.301 ( -2.959 3.298 4.512) 6.324 10.475 ( -0.144 -0.892 -3.757) 3.865 11.298 ( 1.884 0.154 0.964) 2.122 11.310 ( -0.681 0.130 -0.803) 1.060 12.695 ( 3.762 -5.690 5.350) 8.669 12.837 ( 2.034 -8.053 -3.865) 9.161 14.293 ( -2.243 4.739 1.653) 5.498 14.359 ( -8.468 2.965 -5.093) 10.317 14.526 ( 4.738 5.327 2.331) 7.501 14.570 ( 3.151 3.479 -1.086) 4.818 15.290 ( -3.503 -0.613 2.047) 4.103 15.442 ( 2.188 -4.070 -4.061) 6.152 ======================= Grid point 213 (117/148) ======================= q-point: (-0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 3.990 2.103 3.210) 5.536 1.159 ( -0.079 1.251 4.202) 4.385 1.334 ( -4.849 6.076 1.470) 7.911 1.530 ( -16.255 -0.862 -0.843) 16.299 1.607 ( -3.457 3.333 3.088) 5.709 1.746 ( 0.117 -1.741 2.767) 3.271 2.092 ( -0.334 3.873 -2.261) 4.497 2.187 ( -2.715 -0.543 2.630) 3.819 2.316 ( -2.030 -6.503 -0.947) 6.878 2.472 ( -1.145 0.873 -2.975) 3.305 2.639 ( 0.707 -2.414 0.695) 2.609 2.717 ( 5.251 -6.214 -3.493) 8.854 2.959 ( -6.204 5.211 5.108) 9.578 2.994 ( -2.318 4.770 -6.342) 8.267 3.134 ( -0.788 -0.550 -1.885) 2.116 3.320 ( 5.443 1.962 0.418) 5.801 3.605 ( -10.210 -1.372 -3.009) 10.732 3.813 ( -2.531 6.478 5.412) 8.812 3.875 ( 1.490 -1.759 4.006) 4.622 4.316 ( 0.203 2.510 1.966) 3.195 4.372 ( 0.810 3.253 -0.397) 3.376 4.483 ( 10.108 0.468 -2.270) 10.371 4.613 ( 1.601 1.292 5.737) 6.094 4.662 ( 1.331 2.816 -4.590) 5.548 4.822 ( 2.808 3.584 2.579) 5.233 4.919 ( -1.262 -2.599 1.819) 3.414 5.226 ( 10.292 2.240 3.823) 11.205 5.251 ( 7.700 0.743 1.105) 7.814 5.776 ( -6.284 -1.979 -1.516) 6.760 6.036 ( 2.933 -4.073 -2.007) 5.406 10.266 ( -5.335 3.111 4.766) 7.801 10.429 ( -1.180 -0.785 -3.973) 4.219 11.330 ( 3.567 1.084 0.779) 3.808 11.380 ( 5.058 -0.062 2.240) 5.532 12.794 ( 4.032 -6.957 1.133) 8.120 12.908 ( 8.867 -8.046 -1.295) 12.043 14.171 ( -8.489 3.671 -1.576) 9.382 14.245 ( -5.223 2.370 2.309) 6.183 14.609 ( 2.447 4.601 -0.937) 5.294 14.676 ( 7.799 5.083 2.438) 9.624 15.211 ( -6.482 0.021 1.079) 6.571 15.394 ( -2.629 -3.431 -5.948) 7.353 ======================= Grid point 214 (118/148) ======================= q-point: (-0.22 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -8.729 3.950 2.886) 10.006 1.184 ( 8.035 1.134 4.377) 9.220 1.219 ( -17.605 1.592 3.748) 18.070 1.346 ( -0.207 -1.643 2.230) 2.778 1.558 ( -2.262 5.886 1.904) 6.587 1.755 ( -1.364 -1.227 0.712) 1.968 2.102 ( 2.487 5.858 -1.124) 6.462 2.165 ( -3.342 -0.975 4.125) 5.397 2.255 ( -3.235 -4.752 1.553) 5.954 2.461 ( 1.780 -3.156 -1.489) 3.917 2.621 ( -0.756 -3.449 -4.143) 5.443 2.758 ( 1.263 -7.177 -6.413) 9.708 2.837 ( -8.280 4.707 3.539) 10.161 2.874 ( -6.402 7.298 2.500) 10.025 3.204 ( 4.752 -1.165 -1.229) 5.045 3.368 ( -6.630 9.381 4.750) 12.430 3.460 ( 5.618 -3.276 -6.878) 9.466 3.859 ( 1.138 6.231 6.349) 8.968 3.944 ( 1.447 -0.587 5.064) 5.299 4.323 ( -0.005 2.949 -1.888) 3.502 4.389 ( 1.074 1.074 3.204) 3.545 4.565 ( 2.618 7.502 -3.834) 8.823 4.669 ( 2.006 2.811 0.246) 3.462 4.764 ( 6.913 -0.970 7.228) 10.049 4.940 ( 4.192 0.923 8.316) 9.358 4.968 ( 4.126 -5.980 5.818) 9.308 5.396 ( 10.010 3.299 -0.810) 10.570 5.515 ( 13.204 -1.305 5.625) 14.411 5.605 ( -6.929 0.906 -4.116) 8.110 6.068 ( 0.373 -6.165 -0.383) 6.188 10.207 ( -5.831 3.080 4.895) 8.213 10.376 ( -0.706 -0.878 -4.158) 4.308 11.430 ( 5.643 1.111 2.488) 6.267 11.500 ( 6.428 0.261 2.107) 6.770 12.880 ( 5.858 -5.398 -0.313) 7.972 13.078 ( 10.658 -9.154 -1.202) 14.101 14.037 ( -6.693 3.380 1.342) 7.617 14.172 ( -5.665 0.929 3.071) 6.510 14.619 ( -0.680 4.105 -0.650) 4.211 14.766 ( -1.856 2.078 0.889) 2.925 15.142 ( 0.592 2.149 0.128) 2.233 15.277 ( -4.417 -0.108 -5.098) 6.746 ======================= Grid point 215 (119/148) ======================= q-point: (-0.11 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -8.905 -0.335 -1.041) 8.972 1.005 ( -11.606 1.039 3.867) 12.277 1.301 ( -4.649 3.707 4.346) 7.365 1.374 ( 7.402 -0.335 2.262) 7.747 1.620 ( 5.387 6.403 2.861) 8.843 1.718 ( -2.761 1.302 1.377) 3.349 2.115 ( -3.525 3.622 1.842) 5.380 2.155 ( 1.893 -1.875 1.300) 2.964 2.251 ( -0.386 -2.703 1.699) 3.215 2.466 ( -0.401 -3.604 -7.933) 8.722 2.570 ( -0.785 -2.103 0.815) 2.388 2.643 ( -1.853 2.256 -4.081) 5.018 2.792 ( -8.439 5.429 12.581) 16.093 2.865 ( 4.437 -5.530 -3.810) 8.049 3.151 ( -7.816 -1.794 0.196) 8.022 3.319 ( 2.456 2.487 -4.912) 6.029 3.617 ( 9.753 5.865 3.106) 11.797 3.931 ( 0.224 1.765 4.903) 5.216 4.008 ( 1.942 6.630 5.602) 8.894 4.307 ( 0.568 4.784 -2.206) 5.299 4.415 ( -0.280 0.919 -1.245) 1.573 4.586 ( 2.092 6.751 1.993) 7.344 4.708 ( 1.734 4.019 -0.693) 4.432 4.921 ( 2.262 2.689 8.971) 9.635 5.022 ( 0.540 -4.568 3.372) 5.704 5.174 ( 8.060 -7.562 9.006) 14.257 5.402 ( -0.769 7.592 -4.157) 8.690 5.629 ( 7.952 -1.773 4.467) 9.292 5.785 ( 9.924 -2.857 3.788) 11.000 6.026 ( -2.831 -7.458 -3.972) 8.911 10.155 ( -4.675 3.209 4.864) 7.470 10.339 ( 0.623 -1.030 -4.284) 4.449 11.538 ( 3.092 0.268 3.767) 4.881 11.631 ( 7.190 -0.195 -0.110) 7.193 12.979 ( 3.006 -3.875 2.921) 5.708 13.220 ( 7.614 -7.428 -4.709) 11.632 13.965 ( -3.122 2.973 2.994) 5.249 14.102 ( -5.138 0.104 3.006) 5.954 14.582 ( -2.289 2.737 -0.592) 3.616 14.650 ( -8.751 1.599 0.732) 8.926 15.184 ( -2.280 2.455 -1.304) 3.595 15.229 ( 7.214 2.193 -2.279) 7.877 ======================= Grid point 216 (120/148) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 1.988 0.060 -1.605) 2.556 0.867 ( -0.120 -0.996 -2.313) 2.521 1.401 ( 1.991 4.224 3.615) 5.905 1.471 ( 4.938 -2.006 -0.413) 5.346 1.773 ( -1.932 3.368 4.385) 5.857 1.803 ( 1.605 0.748 3.083) 3.556 2.095 ( -3.922 5.038 -0.916) 6.450 2.212 ( 5.028 1.434 -1.551) 5.454 2.232 ( -2.857 -5.705 -3.381) 7.221 2.258 ( 2.507 -2.246 -0.767) 3.452 2.576 ( -2.074 1.984 2.366) 3.720 2.636 ( -1.533 -2.718 2.503) 4.001 2.761 ( -2.975 -0.612 -1.997) 3.635 2.794 ( 1.851 -4.133 -5.257) 6.939 3.141 ( -0.335 6.781 2.333) 7.179 3.273 ( 1.434 -4.660 -3.772) 6.164 3.875 ( 1.511 3.245 4.523) 5.768 3.922 ( -1.383 -1.104 2.852) 3.356 4.354 ( 1.654 6.199 1.640) 6.622 4.392 ( 0.340 1.469 -1.695) 2.269 4.496 ( 2.766 10.778 7.352) 13.336 4.699 ( 0.648 -1.606 3.087) 3.540 4.819 ( 2.061 2.713 -0.304) 3.421 4.885 ( -0.038 -5.423 0.701) 5.468 5.091 ( 2.028 3.735 5.329) 6.816 5.200 ( 2.961 -5.030 4.597) 7.430 5.532 ( -1.714 5.259 0.806) 5.590 5.693 ( -2.834 -9.151 -4.312) 10.505 5.793 ( 3.761 2.501 2.924) 5.380 5.867 ( 3.308 -4.054 -0.745) 5.285 10.209 ( -1.464 3.832 2.742) 4.934 10.284 ( 0.336 -2.985 -0.497) 3.045 11.611 ( 0.657 1.796 1.024) 2.170 11.664 ( 1.974 -2.998 -1.196) 3.783 13.017 ( -3.863 4.527 2.844) 6.596 13.135 ( 0.394 -6.110 -2.578) 6.643 14.047 ( 3.525 1.410 2.426) 4.506 14.067 ( 1.380 -0.416 1.680) 2.213 14.581 ( -2.519 1.265 1.359) 3.130 14.590 ( -1.067 0.440 1.057) 1.565 15.224 ( -0.186 3.352 -1.228) 3.574 15.285 ( 2.524 -2.281 -3.594) 4.948 ======================= Grid point 217 (121/148) ======================= q-point: ( 0.11 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 10.767 1.920 -1.710) 11.069 0.999 ( 13.038 -3.767 -0.375) 13.577 1.441 ( 1.346 5.589 -1.272) 5.887 1.532 ( 3.548 -2.401 -2.656) 5.041 1.768 ( -1.766 4.655 1.684) 5.256 1.848 ( 0.863 -2.536 1.209) 2.939 2.048 ( -1.097 4.661 1.332) 4.970 2.158 ( -0.978 -4.811 0.041) 4.910 2.291 ( 4.058 2.850 -1.363) 5.143 2.320 ( 3.667 1.835 0.412) 4.121 2.517 ( -4.630 -0.384 -0.893) 4.731 2.570 ( -5.436 -4.127 1.969) 7.104 2.753 ( 2.707 0.654 -3.076) 4.149 2.845 ( 4.646 -6.940 0.369) 8.359 3.164 ( 0.763 5.744 1.718) 6.044 3.264 ( 1.287 -3.472 -4.176) 5.581 3.873 ( -4.723 2.768 1.538) 5.686 3.909 ( -2.041 -0.697 3.114) 3.788 4.371 ( 0.174 4.722 -0.515) 4.753 4.398 ( 1.778 1.244 -1.479) 2.626 4.589 ( -0.667 9.498 5.862) 11.181 4.708 ( -0.184 3.843 -1.041) 3.986 4.819 ( -3.109 1.197 -2.474) 4.149 4.851 ( -0.717 -0.984 1.460) 1.901 5.152 ( 0.206 0.795 2.577) 2.705 5.250 ( 0.737 -5.476 -0.270) 5.532 5.485 ( -4.704 5.604 1.027) 7.388 5.673 ( 2.671 -10.598 -0.986) 10.973 5.827 ( -0.662 -0.030 -0.227) 0.701 5.853 ( -2.785 -1.612 -3.618) 4.842 10.224 ( 0.524 3.974 2.684) 4.824 10.302 ( 2.116 -3.136 -0.352) 3.800 11.597 ( -2.705 1.871 0.036) 3.289 11.651 ( -1.927 -3.124 -1.842) 4.107 12.904 ( -10.505 6.138 3.112) 12.559 13.052 ( -7.277 -7.576 -1.017) 10.554 14.149 ( 6.573 1.918 -1.071) 6.930 14.171 ( 8.111 -0.197 0.222) 8.117 14.593 ( 2.048 2.301 1.864) 3.600 14.626 ( 3.378 -0.824 2.102) 4.063 15.199 ( -1.376 3.757 -0.915) 4.104 15.275 ( 0.155 -3.209 -3.783) 4.963 ======================= Grid point 218 (122/148) ======================= q-point: ( 0.22 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 12.961 2.841 0.005) 13.269 1.239 ( 11.906 -5.093 1.747) 13.067 1.439 ( 2.968 5.218 -7.019) 9.236 1.528 ( 0.790 -2.711 -7.825) 8.319 1.763 ( -0.085 4.766 2.699) 5.478 1.833 ( -3.281 -1.256 1.512) 3.825 2.084 ( 3.159 4.640 1.393) 5.783 2.190 ( 2.768 -4.702 -0.887) 5.528 2.333 ( 2.016 5.299 0.591) 5.700 2.364 ( -0.115 2.418 3.551) 4.298 2.474 ( 0.209 -4.631 -1.071) 4.758 2.509 ( 0.909 -5.279 -4.580) 7.048 2.774 ( 0.416 4.315 2.171) 4.848 2.929 ( 1.727 -8.177 5.022) 9.750 3.188 ( 1.231 3.562 -0.758) 3.844 3.248 ( 1.547 -2.258 -5.104) 5.792 3.788 ( -4.823 5.441 -0.175) 7.273 3.887 ( -3.195 -3.847 2.794) 5.728 4.366 ( -0.046 6.755 -1.488) 6.917 4.410 ( 0.827 0.815 -1.100) 1.600 4.520 ( -6.347 9.696 -3.453) 12.092 4.705 ( -1.304 0.390 -0.527) 1.460 4.751 ( -1.405 2.705 -3.099) 4.346 4.816 ( -5.167 -8.684 1.453) 10.208 5.144 ( -0.828 3.713 -1.710) 4.171 5.227 ( -1.967 -3.724 -2.830) 5.074 5.426 ( -2.884 11.442 0.901) 11.835 5.651 ( -6.119 -5.374 -2.354) 8.478 5.729 ( -5.873 1.828 -5.277) 8.104 5.831 ( 3.386 -10.827 -0.857) 11.376 10.269 ( 1.843 4.023 2.647) 5.156 10.348 ( 3.218 -3.223 -0.145) 4.557 11.522 ( -5.248 2.139 -1.031) 5.760 11.573 ( -4.835 -2.728 -2.029) 5.911 12.749 ( -9.312 5.863 2.594) 11.305 12.902 ( -8.401 -8.446 -0.469) 11.922 14.242 ( 5.802 3.995 -2.594) 7.507 14.300 ( 7.270 -1.304 -1.943) 7.638 14.654 ( 1.891 3.357 1.846) 4.272 14.714 ( 3.251 -2.133 2.134) 4.436 15.179 ( 0.681 3.064 -0.846) 3.251 15.246 ( 0.507 -2.935 -2.797) 4.086 ======================= Grid point 219 (123/148) ======================= q-point: ( 0.33 0.43 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -1.272 0.751 -2.596) 2.987 1.312 ( -3.356 -0.655 -2.419) 4.189 1.468 ( 7.107 3.777 -5.113) 9.535 1.542 ( 9.402 -2.753 -2.824) 10.196 1.796 ( -1.311 3.356 1.533) 3.915 1.806 ( 1.177 1.683 2.462) 3.207 2.121 ( 0.347 3.427 -1.259) 3.668 2.202 ( 1.193 -4.484 -3.535) 5.833 2.382 ( 2.676 4.269 -0.430) 5.056 2.427 ( 1.604 -0.312 3.736) 4.077 2.463 ( 3.219 -1.882 0.166) 3.733 2.548 ( 6.982 -6.557 -6.397) 11.518 2.809 ( -1.328 5.881 6.976) 9.221 2.964 ( -4.058 -7.276 6.931) 10.838 3.192 ( 1.640 3.106 -2.947) 4.585 3.252 ( 3.571 -2.400 -3.762) 5.715 3.728 ( -1.384 5.708 -0.278) 5.880 3.851 ( -3.030 -5.609 1.784) 6.620 4.317 ( -3.239 10.504 -4.967) 12.063 4.386 ( -5.272 3.995 -2.551) 7.090 4.413 ( 0.513 0.704 -0.645) 1.084 4.593 ( -8.466 -6.162 -2.572) 10.782 4.711 ( -0.148 3.148 -3.320) 4.578 4.763 ( -0.452 -2.698 -2.176) 3.495 5.093 ( -2.785 2.307 -3.535) 5.057 5.133 ( -5.412 -1.228 -3.538) 6.582 5.346 ( -6.028 7.015 -5.107) 10.566 5.463 ( -9.860 -3.489 -5.841) 11.980 5.644 ( 0.143 8.796 1.060) 8.861 5.894 ( 3.518 -13.927 -0.579) 14.376 10.325 ( 1.891 3.984 2.674) 5.157 10.404 ( 3.017 -3.186 0.033) 4.388 11.412 ( -5.598 2.215 -1.625) 6.236 11.460 ( -5.809 -2.238 -2.156) 6.588 12.639 ( -5.277 4.206 1.883) 7.006 12.771 ( -5.688 -8.106 -0.913) 9.945 14.317 ( 5.695 5.312 -2.618) 8.216 14.396 ( 6.503 -1.852 -3.086) 7.432 14.655 ( -3.460 3.970 1.441) 5.460 14.725 ( -3.726 -2.377 0.470) 4.445 15.221 ( 4.139 1.760 -0.090) 4.499 15.269 ( 3.811 -2.439 -1.124) 4.662 ======================= Grid point 220 (124/148) ======================= q-point: (-0.56 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -6.582 0.137 -4.351) 7.892 1.171 ( -6.389 -0.527 -4.372) 7.760 1.585 ( 6.281 3.799 -1.066) 7.418 1.643 ( 2.277 -0.166 -1.492) 2.727 1.786 ( -3.468 4.123 4.851) 7.250 1.836 ( 0.581 1.071 0.014) 1.219 2.125 ( 0.642 -0.719 2.447) 2.630 2.159 ( -2.684 -5.029 -2.603) 6.267 2.394 ( 0.483 4.911 -3.515) 6.058 2.462 ( 3.120 0.116 -2.452) 3.970 2.580 ( 5.728 -0.302 -0.293) 5.743 2.620 ( 4.998 -3.044 -2.810) 6.491 2.836 ( 0.905 0.752 3.819) 3.996 2.922 ( -4.366 -6.380 3.802) 8.616 3.219 ( 2.954 4.626 -0.780) 5.544 3.289 ( 2.364 -1.624 -1.753) 3.361 3.744 ( 2.023 2.476 1.930) 3.735 3.812 ( -2.911 -3.354 1.099) 4.575 4.219 ( -1.680 5.266 -4.332) 7.023 4.248 ( -9.456 1.791 -1.666) 9.767 4.416 ( 0.404 0.644 -0.746) 1.065 4.457 ( -4.122 -0.440 -1.778) 4.510 4.687 ( 0.617 3.120 -3.938) 5.062 4.738 ( 1.015 -1.379 -5.425) 5.689 4.973 ( -6.866 2.696 -2.937) 7.939 5.022 ( -5.048 -1.306 -1.242) 5.360 5.185 ( -4.045 3.368 -7.274) 8.978 5.261 ( -6.289 -3.197 -5.805) 9.136 5.715 ( 3.457 8.523 4.715) 10.336 5.931 ( 1.947 -11.233 -2.088) 11.590 10.370 ( 0.292 3.804 2.794) 4.729 10.443 ( 1.162 -2.896 0.084) 3.122 11.321 ( -2.930 1.500 -1.303) 3.541 11.353 ( -3.984 -1.449 -1.894) 4.643 12.600 ( -0.852 1.992 1.386) 2.572 12.696 ( -1.674 -6.862 -1.700) 7.265 14.395 ( 4.655 5.565 -1.953) 7.514 14.473 ( 4.777 -1.474 -4.015) 6.412 14.586 ( -4.476 2.923 1.576) 5.573 14.624 ( -6.244 -0.495 0.417) 6.277 15.288 ( 2.336 0.996 0.626) 2.615 15.331 ( 3.523 -2.848 -1.067) 4.654 ======================= Grid point 221 (125/148) ======================= q-point: (-0.44 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -2.963 1.673 -0.438) 3.431 1.087 ( -0.361 -2.277 -0.601) 2.382 1.576 ( -6.410 4.340 -0.539) 7.760 1.645 ( -0.341 -1.075 -2.029) 2.321 1.739 ( -5.655 4.044 3.296) 7.694 1.816 ( -4.598 0.253 2.659) 5.317 2.097 ( -3.067 -0.598 0.771) 3.218 2.169 ( -0.268 -5.071 4.435) 6.743 2.346 ( -0.615 6.316 -5.507) 8.402 2.470 ( 2.229 -4.094 -5.166) 6.958 2.616 ( -2.767 0.680 -0.045) 2.849 2.638 ( 0.313 -0.881 -0.146) 0.946 2.934 ( 6.091 -1.819 -1.823) 6.613 2.953 ( 8.191 -3.122 0.333) 8.772 3.247 ( -0.253 3.712 -0.391) 3.741 3.289 ( 0.051 0.183 -2.107) 2.116 3.755 ( -4.747 1.400 1.560) 5.189 3.792 ( -1.069 -1.928 2.429) 3.280 4.079 ( -7.196 7.676 1.167) 10.586 4.227 ( 4.729 -4.807 -0.017) 6.743 4.399 ( -2.057 2.320 -0.333) 3.118 4.412 ( -0.109 0.719 -0.628) 0.961 4.664 ( 0.235 2.949 -2.936) 4.168 4.709 ( 1.841 -0.957 -6.997) 7.298 4.869 ( -2.958 2.633 0.139) 3.963 4.924 ( -4.648 -2.530 -0.366) 5.304 5.140 ( 2.938 2.720 -0.581) 4.046 5.183 ( 1.502 -1.428 -2.532) 3.272 5.803 ( 1.853 4.380 3.377) 5.833 5.929 ( 1.096 -6.942 -3.941) 8.058 10.375 ( -2.511 3.466 2.880) 5.158 10.440 ( -1.534 -2.455 -0.077) 2.896 11.303 ( 1.511 0.298 -0.116) 1.545 11.309 ( 0.594 -0.222 -0.740) 0.975 12.630 ( 2.943 -0.146 1.098) 3.145 12.688 ( 2.855 -5.343 -2.273) 6.470 14.379 ( -5.300 2.955 -0.263) 6.074 14.404 ( -7.371 0.718 -2.575) 7.841 14.611 ( 5.666 2.406 1.335) 6.298 14.623 ( 4.409 1.203 -0.017) 4.570 15.295 ( -1.941 1.386 0.253) 2.399 15.353 ( 0.306 -3.853 -2.017) 4.360 ======================= Grid point 222 (126/148) ======================= q-point: (-0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 4.374 3.105 4.105) 6.754 1.144 ( 3.986 -2.760 4.172) 6.396 1.427 ( -9.665 3.999 -0.912) 10.500 1.505 ( -12.956 -2.743 -1.160) 13.294 1.688 ( -3.812 4.372 2.916) 6.492 1.743 ( -5.810 -0.074 5.049) 7.697 2.074 ( -0.959 -0.176 1.938) 2.169 2.159 ( -3.074 -7.133 2.100) 8.046 2.319 ( 1.173 8.264 -2.941) 8.850 2.468 ( 0.610 -3.826 -4.187) 5.704 2.569 ( -0.128 -1.676 -1.631) 2.342 2.603 ( -1.665 -3.125 -3.152) 4.741 3.037 ( -0.514 2.384 2.545) 3.525 3.070 ( 8.166 0.109 -1.642) 8.331 3.176 ( -5.371 5.565 -3.239) 8.385 3.302 ( 4.572 -4.569 -4.514) 7.884 3.646 ( -7.816 5.283 1.524) 9.557 3.769 ( -2.476 -5.482 4.157) 7.312 4.067 ( 1.402 13.978 5.398) 15.050 4.337 ( 4.528 -7.117 0.539) 8.453 4.381 ( -0.445 0.716 2.196) 2.352 4.427 ( 2.347 -2.856 3.437) 5.048 4.661 ( 1.689 2.695 -1.304) 3.437 4.693 ( 2.634 0.004 -5.703) 6.282 4.868 ( 0.731 1.005 2.732) 3.001 4.884 ( -0.687 -0.451 3.059) 3.168 5.260 ( 8.278 0.927 2.246) 8.628 5.266 ( 7.921 0.368 4.086) 8.921 5.805 ( -2.290 4.172 -2.267) 5.271 5.922 ( 1.401 -6.096 -2.986) 6.931 10.335 ( -4.553 3.244 2.884) 6.291 10.396 ( -3.027 -2.295 -0.272) 3.809 11.353 ( 4.590 1.064 0.714) 4.766 11.373 ( 5.352 -0.675 1.090) 5.504 12.711 ( 5.670 -0.596 0.196) 5.704 12.763 ( 7.658 -5.109 -1.590) 9.342 14.245 ( -8.302 2.822 -0.204) 8.771 14.275 ( -7.012 0.117 1.115) 7.101 14.696 ( 3.129 3.256 -0.168) 4.519 14.732 ( 5.416 0.206 1.056) 5.522 15.236 ( -3.844 2.519 -0.662) 4.644 15.311 ( -2.231 -4.126 -3.092) 5.618 ======================= Grid point 223 (127/148) ======================= q-point: (-0.22 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -9.535 3.725 -0.710) 10.261 1.210 ( -5.700 1.806 1.375) 6.135 1.228 ( -0.710 -0.171 3.571) 3.645 1.298 ( -3.180 -3.435 1.874) 5.042 1.668 ( -0.864 4.318 4.802) 6.515 1.733 ( -1.230 -1.473 6.378) 6.660 2.086 ( -0.181 0.101 3.198) 3.204 2.148 ( -0.838 -4.723 3.752) 6.090 2.293 ( -1.093 6.705 -4.525) 8.162 2.408 ( -1.447 -3.199 -5.963) 6.919 2.566 ( 0.629 -1.796 -2.809) 3.393 2.584 ( 2.543 -5.300 -2.334) 6.325 2.962 ( -8.552 6.185 1.338) 10.639 3.043 ( -7.365 3.356 0.642) 8.119 3.158 ( 2.712 1.205 -2.970) 4.199 3.307 ( 1.330 -8.079 -7.590) 11.164 3.624 ( 2.886 10.443 5.990) 12.380 3.806 ( 1.363 -6.744 5.948) 9.095 4.166 ( 3.223 16.290 7.122) 18.069 4.367 ( 0.781 0.818 0.202) 1.148 4.404 ( 0.529 0.205 1.889) 1.973 4.559 ( 4.897 -15.331 7.067) 17.578 4.689 ( 3.844 3.576 -3.123) 6.109 4.718 ( 3.442 0.296 -0.276) 3.465 4.924 ( 1.712 1.679 6.217) 6.663 4.953 ( 3.260 -0.273 6.010) 6.843 5.446 ( 9.405 1.912 5.230) 10.930 5.486 ( 10.839 -1.619 5.723) 12.363 5.713 ( -3.755 8.066 -5.374) 10.394 5.902 ( -0.722 -8.964 -3.949) 9.822 10.277 ( -4.683 3.342 2.876) 6.432 10.340 ( -2.785 -2.476 -0.404) 3.749 11.459 ( 5.749 1.565 1.616) 6.174 11.490 ( 6.614 -1.168 1.126) 6.810 12.832 ( 8.011 1.022 0.077) 8.076 12.913 ( 10.363 -6.156 -1.290) 12.122 14.116 ( -7.188 3.506 1.859) 8.211 14.170 ( -6.768 -1.348 2.449) 7.323 14.704 ( -2.243 3.648 -0.144) 4.285 14.764 ( -3.399 -1.746 0.546) 3.860 15.197 ( 1.403 2.781 -1.525) 3.468 15.252 ( -0.737 -2.126 -3.229) 3.935 ======================= Grid point 224 (128/148) ======================= q-point: (-0.11 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -10.363 2.664 -2.503) 10.989 0.999 ( -11.271 -1.846 -1.422) 11.509 1.333 ( 1.682 1.152 4.430) 4.877 1.366 ( 6.276 -1.259 1.379) 6.548 1.733 ( 1.692 3.832 6.221) 7.500 1.768 ( -1.496 1.450 5.545) 5.923 2.125 ( 1.413 1.915 2.760) 3.645 2.174 ( -0.831 -0.880 3.200) 3.422 2.222 ( -0.348 1.697 -5.103) 5.389 2.336 ( -1.171 -7.333 -6.888) 10.128 2.569 ( 1.674 0.700 -1.820) 2.570 2.609 ( 1.876 -3.301 -0.360) 3.813 2.830 ( -5.649 3.764 -0.463) 6.804 2.910 ( -8.145 -0.592 -0.827) 8.209 3.144 ( -1.219 4.508 0.065) 4.670 3.280 ( 1.696 -5.514 -4.690) 7.435 3.766 ( 5.693 6.845 5.574) 10.504 3.885 ( 1.522 -4.262 5.008) 6.751 4.281 ( 2.692 15.258 6.855) 16.942 4.386 ( 1.284 2.122 -0.073) 2.481 4.427 ( 0.852 1.696 1.406) 2.362 4.652 ( 0.857 -7.076 4.497) 8.428 4.768 ( 4.769 1.025 -0.705) 4.929 4.802 ( 4.912 -6.310 4.174) 9.021 5.012 ( 1.983 3.954 5.926) 7.394 5.081 ( 4.293 -2.573 7.557) 9.064 5.583 ( -2.930 8.169 -1.838) 8.871 5.656 ( 8.330 4.342 2.258) 9.661 5.707 ( 5.310 -4.088 5.471) 8.651 5.836 ( -0.813 -9.907 -6.052) 11.638 10.229 ( -3.418 3.597 2.819) 5.707 10.299 ( -1.474 -2.757 -0.501) 3.166 11.559 ( 3.843 1.725 1.646) 4.522 11.603 ( 5.368 -2.080 0.025) 5.757 12.971 ( 6.183 2.770 1.268) 6.893 13.072 ( 8.599 -6.256 -2.279) 10.875 14.033 ( -4.276 3.086 3.120) 6.127 14.086 ( -5.209 -1.699 3.054) 6.273 14.635 ( -4.435 2.049 0.027) 4.885 14.662 ( -6.880 -0.384 0.687) 6.925 15.226 ( 1.516 1.677 -2.057) 3.056 15.250 ( 3.868 -0.296 -2.719) 4.737 ======================= Grid point 252 (129/148) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 5.024 0.000 -3.374) 6.051 0.922 ( -5.024 0.000 3.374) 6.051 1.224 ( -5.518 0.000 -5.015) 7.457 1.224 ( 5.518 0.000 5.015) 7.457 1.803 ( 0.172 0.000 -4.525) 4.529 1.803 ( -0.172 0.000 4.525) 4.529 2.134 ( -4.205 0.000 1.258) 4.389 2.134 ( 4.205 0.000 -1.258) 4.389 2.220 ( 6.332 0.000 -10.492) 12.254 2.220 ( -6.332 0.000 10.492) 12.254 2.712 ( -0.602 0.000 -5.730) 5.762 2.712 ( 0.602 0.000 5.730) 5.762 2.859 ( 0.971 0.000 -2.335) 2.529 2.859 ( -0.971 0.000 2.335) 2.529 3.169 ( 5.263 0.000 -8.291) 9.820 3.169 ( -5.263 0.000 8.291) 9.820 3.738 ( -8.407 0.000 -4.475) 9.523 3.738 ( 8.407 0.000 4.475) 9.523 4.113 ( -1.921 0.000 -5.736) 6.049 4.113 ( 1.921 0.000 5.736) 6.049 4.295 ( -13.865 0.000 -8.580) 16.305 4.295 ( 13.865 0.000 8.580) 16.305 4.680 ( -1.531 0.000 -1.128) 1.902 4.680 ( 1.531 0.000 1.128) 1.902 5.332 ( 2.960 0.000 -8.695) 9.185 5.332 ( -2.960 0.000 8.695) 9.185 5.796 ( -1.786 0.000 -11.067) 11.210 5.796 ( 1.786 0.000 11.067) 11.210 5.977 ( -15.028 0.000 1.457) 15.098 5.977 ( 15.028 0.000 -1.457) 15.098 10.185 ( 4.069 0.000 -6.867) 7.982 10.185 ( -4.069 0.000 6.867) 7.982 11.685 ( 5.088 0.000 -3.856) 6.384 11.685 ( -5.088 0.000 3.856) 6.384 13.261 ( -16.459 0.000 5.160) 17.248 13.261 ( 16.459 0.000 -5.160) 17.248 13.980 ( -5.363 0.000 -0.437) 5.381 13.980 ( 5.363 0.000 0.437) 5.381 14.501 ( 3.724 0.000 -1.356) 3.964 14.501 ( -3.724 0.000 1.356) 3.964 15.181 ( 4.507 0.000 -6.161) 7.634 15.181 ( -4.507 0.000 6.161) 7.634 ======================= Grid point 254 (130/148) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 5.185 0.000 2.036) 5.570 1.100 ( 17.279 0.000 -4.145) 17.770 1.137 ( 2.754 0.000 -3.335) 4.325 1.341 ( 2.453 0.000 0.928) 2.622 1.663 ( -11.662 0.000 -5.638) 12.953 1.703 ( -3.040 0.000 -2.912) 4.209 2.048 ( -6.252 0.000 -3.180) 7.014 2.160 ( 1.865 0.000 8.970) 9.162 2.308 ( 8.982 0.000 -7.882) 11.950 2.422 ( 9.711 0.000 12.649) 15.947 2.634 ( -2.270 0.000 -5.140) 5.619 2.736 ( -1.923 0.000 4.141) 4.566 2.866 ( 0.507 0.000 -1.434) 1.521 2.882 ( 1.897 0.000 0.621) 1.996 3.177 ( 0.264 0.000 4.913) 4.920 3.203 ( 7.821 0.000 -11.611) 14.000 3.526 ( -11.425 0.000 -4.349) 12.225 3.897 ( 6.391 0.000 3.179) 7.138 3.960 ( -8.476 0.000 -7.320) 11.199 4.113 ( -3.296 0.000 1.182) 3.502 4.185 ( 2.021 0.000 3.734) 4.246 4.617 ( -0.726 0.000 -2.422) 2.528 4.629 ( 9.593 0.000 11.904) 15.288 4.692 ( -0.215 0.000 -0.862) 0.889 5.263 ( 0.606 0.000 -14.400) 14.413 5.298 ( -6.648 0.000 2.227) 7.011 5.548 ( -12.617 0.000 -12.515) 17.771 5.759 ( -12.028 0.000 1.360) 12.105 5.804 ( -7.086 0.000 3.508) 7.907 6.205 ( 11.315 0.000 -1.660) 11.436 10.191 ( -1.944 0.000 6.787) 7.060 10.216 ( 5.970 0.000 -6.915) 9.135 11.583 ( -8.404 0.000 0.844) 8.447 11.687 ( -0.138 0.000 -5.850) 5.851 13.027 ( -16.423 0.000 10.405) 19.442 13.421 ( 2.207 0.000 0.315) 2.229 13.960 ( 3.598 0.000 0.357) 3.616 14.094 ( 7.101 0.000 -1.338) 7.226 14.488 ( 0.994 0.000 1.130) 1.505 14.581 ( 6.527 0.000 -2.703) 7.065 15.135 ( -3.889 0.000 2.671) 4.718 15.179 ( 2.488 0.000 -7.528) 7.928 ======================= Grid point 255 (131/148) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 1.050 0.000 -0.633) 1.226 1.254 ( -5.749 0.000 -7.578) 9.512 1.304 ( 8.218 0.000 0.208) 8.220 1.384 ( 14.960 0.000 -3.113) 15.281 1.437 ( -2.874 0.000 -5.102) 5.856 1.738 ( 5.577 0.000 2.391) 6.068 1.927 ( -3.999 0.000 -2.453) 4.691 2.247 ( -0.945 0.000 7.927) 7.984 2.386 ( 5.392 0.000 -4.046) 6.741 2.554 ( -1.269 0.000 -4.293) 4.477 2.673 ( 6.911 0.000 7.210) 9.988 2.743 ( -0.392 0.000 2.381) 2.413 2.840 ( -1.248 0.000 -0.807) 1.486 2.927 ( 3.335 0.000 -1.094) 3.510 3.198 ( 2.059 0.000 -15.858) 15.992 3.250 ( 4.196 0.000 1.329) 4.402 3.359 ( -2.562 0.000 4.574) 5.243 3.801 ( -5.073 0.000 -1.393) 5.260 4.003 ( 3.420 0.000 0.461) 3.451 4.113 ( 0.130 0.000 4.039) 4.041 4.245 ( 1.879 0.000 2.445) 3.083 4.513 ( -4.257 0.000 -5.371) 6.853 4.663 ( -1.547 0.000 -1.995) 2.524 4.852 ( -0.305 0.000 4.846) 4.855 5.116 ( -11.397 0.000 -1.419) 11.485 5.125 ( -0.679 0.000 -17.595) 17.608 5.281 ( -8.158 0.000 -5.262) 9.707 5.593 ( -7.794 0.000 5.468) 9.520 5.629 ( -12.206 0.000 -3.751) 12.770 6.320 ( 5.364 0.000 -5.661) 7.799 10.228 ( -0.384 0.000 6.641) 6.652 10.270 ( 6.799 0.000 -6.960) 9.730 11.434 ( -7.923 0.000 -1.037) 7.991 11.595 ( -4.344 0.000 -5.694) 7.162 12.889 ( -10.260 0.000 12.033) 15.813 13.374 ( -6.598 0.000 1.470) 6.759 14.033 ( 2.093 0.000 1.482) 2.564 14.189 ( 5.897 0.000 -2.918) 6.579 14.522 ( -0.160 0.000 1.407) 1.416 14.629 ( 2.069 0.000 -6.952) 7.253 15.152 ( 4.537 0.000 2.640) 5.249 15.184 ( 5.132 0.000 -4.479) 6.812 ======================= Grid point 256 (132/148) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -1.582 0.000 -0.815) 1.779 1.073 ( -6.307 0.000 -6.528) 9.077 1.237 ( -0.028 0.000 -3.908) 3.908 1.515 ( 2.432 0.000 -4.359) 4.992 1.616 ( 10.629 0.000 4.078) 11.384 1.805 ( -0.520 0.000 0.281) 0.591 1.973 ( 11.055 0.000 0.463) 11.064 2.274 ( -0.144 0.000 2.997) 3.000 2.402 ( -1.292 0.000 -0.638) 1.441 2.500 ( -0.235 0.000 -5.146) 5.151 2.706 ( -5.594 0.000 1.262) 5.735 2.721 ( -4.293 0.000 -2.890) 5.175 2.890 ( 6.488 0.000 0.672) 6.523 2.986 ( 5.296 0.000 -0.660) 5.337 3.147 ( 2.544 0.000 -0.581) 2.609 3.319 ( 3.317 0.000 -1.608) 3.686 3.469 ( 8.676 0.000 3.280) 9.275 3.769 ( 1.222 0.000 2.260) 2.569 3.998 ( -2.257 0.000 -4.749) 5.258 4.174 ( 0.900 0.000 7.428) 7.482 4.281 ( -0.640 0.000 1.186) 1.348 4.393 ( -4.374 0.000 -5.474) 7.007 4.611 ( -2.442 0.000 -1.875) 3.079 4.652 ( -12.957 0.000 -4.085) 13.586 4.962 ( -0.608 0.000 -17.493) 17.503 4.978 ( -7.043 0.000 -3.634) 7.925 5.133 ( -8.183 0.000 3.758) 9.005 5.360 ( -11.072 0.000 -9.052) 14.301 5.663 ( 4.674 0.000 14.852) 15.571 6.296 ( -0.290 0.000 -10.329) 10.333 10.282 ( 0.043 0.000 6.526) 6.526 10.325 ( 5.897 0.000 -6.948) 9.113 11.316 ( -4.222 0.000 -0.778) 4.293 11.461 ( -5.738 0.000 -4.209) 7.116 12.868 ( -3.519 0.000 11.024) 11.572 13.245 ( -8.465 0.000 -0.396) 8.474 14.071 ( 2.068 0.000 1.401) 2.497 14.255 ( 5.050 0.000 -3.884) 6.371 14.487 ( -4.161 0.000 0.912) 4.260 14.530 ( -4.698 0.000 -8.689) 9.878 15.283 ( 8.403 0.000 -2.471) 8.758 15.302 ( 6.315 0.000 5.758) 8.546 ======================= Grid point 257 (133/148) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -2.244 0.000 -1.252) 2.570 0.959 ( -2.031 0.000 -2.594) 3.295 1.302 ( 6.796 0.000 0.780) 6.841 1.437 ( -6.027 0.000 -2.887) 6.683 1.767 ( 2.405 0.000 4.470) 5.076 1.800 ( 0.823 0.000 -2.309) 2.451 2.178 ( 10.486 0.000 -0.151) 10.487 2.298 ( -3.473 0.000 3.553) 4.969 2.371 ( 2.263 0.000 -1.124) 2.527 2.453 ( -1.799 0.000 -4.162) 4.534 2.596 ( -3.887 0.000 -1.851) 4.306 2.612 ( -4.676 0.000 -0.291) 4.685 3.008 ( 4.269 0.000 2.540) 4.967 3.052 ( 1.949 0.000 -2.264) 2.987 3.232 ( 3.858 0.000 5.225) 6.495 3.320 ( -0.564 0.000 -4.438) 4.474 3.670 ( 9.635 0.000 4.737) 10.737 3.863 ( -6.831 0.000 -6.760) 9.611 3.889 ( 9.936 0.000 3.119) 10.413 4.137 ( -14.631 0.000 -1.257) 14.685 4.251 ( -0.345 0.000 8.893) 8.900 4.306 ( 0.714 0.000 -7.207) 7.242 4.527 ( -0.341 0.000 -0.492) 0.599 4.554 ( -2.529 0.000 -0.736) 2.634 4.837 ( 1.949 0.000 -12.987) 13.133 4.841 ( -6.503 0.000 3.232) 7.262 5.071 ( -3.385 0.000 6.471) 7.302 5.142 ( -4.100 0.000 -9.498) 10.345 5.911 ( 7.001 0.000 16.480) 17.906 6.147 ( -4.707 0.000 -14.251) 15.008 10.331 ( -1.021 0.000 6.592) 6.670 10.350 ( 3.448 0.000 -6.804) 7.627 11.284 ( 0.567 0.000 0.721) 0.918 11.342 ( -4.312 0.000 -2.455) 4.962 12.943 ( 2.536 0.000 8.478) 8.849 13.085 ( -7.035 0.000 -4.609) 8.410 14.153 ( 4.749 0.000 4.356) 6.444 14.273 ( -0.469 0.000 -6.734) 6.751 14.394 ( -1.499 0.000 -3.465) 3.775 14.420 ( -4.211 0.000 1.358) 4.424 15.391 ( 6.126 0.000 -3.736) 7.175 15.409 ( -0.153 0.000 5.664) 5.666 ======================= Grid point 262 (134/148) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -1.953 -1.094 -0.792) 2.375 0.914 ( 1.954 -1.094 0.792) 2.375 1.279 ( -2.957 4.778 -4.885) 7.446 1.279 ( 2.957 4.778 4.885) 7.446 1.792 ( 2.871 -0.799 -3.233) 4.397 1.792 ( -2.871 -0.799 3.233) 4.397 2.122 ( 3.020 -0.951 -2.196) 3.853 2.122 ( -3.020 -0.951 2.196) 3.853 2.237 ( 5.772 1.744 -7.634) 9.728 2.237 ( -5.772 1.744 7.634) 9.728 2.660 ( 0.413 -3.642 -4.417) 5.740 2.660 ( -0.413 -3.642 4.417) 5.740 2.904 ( 2.268 1.647 -4.292) 5.126 2.904 ( -2.268 1.647 4.292) 5.126 3.162 ( 5.173 -0.083 -8.476) 9.930 3.162 ( -5.173 -0.083 8.476) 9.930 3.787 ( -7.854 4.207 -4.441) 9.955 3.787 ( 7.854 4.207 4.441) 9.955 4.155 ( -0.461 3.922 -5.432) 6.716 4.155 ( 0.461 3.922 5.432) 6.716 4.328 ( -8.710 3.515 -7.056) 11.748 4.328 ( 8.710 3.515 7.056) 11.748 4.718 ( -2.420 3.110 -3.242) 5.103 4.718 ( 2.420 3.110 3.242) 5.103 5.321 ( 2.127 -0.969 -7.774) 8.118 5.321 ( -2.127 -0.969 7.774) 8.118 5.782 ( -0.834 -1.534 -11.296) 11.430 5.782 ( 0.834 -1.534 11.296) 11.430 5.933 ( -10.108 -3.697 0.659) 10.783 5.933 ( 10.108 -3.697 -0.659) 10.783 10.200 ( 3.790 1.265 -6.444) 7.582 10.200 ( -3.790 1.265 6.444) 7.582 11.681 ( 3.896 -0.499 -3.837) 5.492 11.681 ( -3.896 -0.499 3.837) 5.492 13.208 ( 2.899 -4.192 -5.386) 7.415 13.208 ( -2.899 -4.192 5.386) 7.415 14.009 ( -4.930 2.276 -1.367) 5.599 14.009 ( 4.930 2.276 1.367) 5.599 14.521 ( -0.854 1.730 -0.254) 1.946 14.521 ( 0.854 1.730 0.254) 1.946 15.192 ( 4.205 0.899 -5.743) 7.174 15.192 ( -4.205 0.899 5.743) 7.174 ======================= Grid point 264 (135/148) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 7.412 -2.595 0.999) 7.916 1.094 ( 12.908 0.064 -4.061) 13.532 1.231 ( 4.431 5.917 -1.268) 7.500 1.384 ( 3.816 3.798 0.180) 5.387 1.641 ( -10.674 -1.043 -5.032) 11.846 1.730 ( -2.467 2.155 -3.925) 5.112 2.069 ( -5.133 1.755 -1.174) 5.550 2.165 ( 1.658 0.592 7.123) 7.337 2.305 ( 6.595 -1.243 -4.282) 7.961 2.365 ( 7.735 -2.752 8.416) 11.757 2.599 ( -2.432 -2.587 -2.484) 4.333 2.676 ( -0.736 -3.962 0.820) 4.112 2.870 ( -0.716 -1.159 0.704) 1.533 2.965 ( 3.478 4.358 -2.278) 6.023 3.165 ( -1.094 -0.467 5.495) 5.623 3.204 ( 7.691 0.015 -7.318) 10.616 3.577 ( -11.157 4.999 -5.436) 13.380 3.923 ( 2.996 2.649 0.575) 4.040 4.001 ( -5.231 3.785 -5.382) 8.406 4.159 ( -0.874 4.770 1.038) 4.959 4.272 ( 0.757 6.085 2.367) 6.573 4.559 ( 5.129 -1.553 6.814) 8.669 4.638 ( -2.587 1.897 -3.525) 4.766 4.803 ( 4.772 5.994 5.440) 9.397 5.248 ( -0.470 -1.416 -12.852) 12.938 5.302 ( -4.837 0.275 1.848) 5.185 5.520 ( -13.879 -3.079 -10.854) 17.886 5.722 ( -9.322 -1.757 -0.730) 9.514 5.819 ( -7.638 0.413 2.442) 8.029 6.141 ( 10.589 -5.911 -0.825) 12.155 10.206 ( -1.674 1.355 6.305) 6.663 10.229 ( 5.658 1.159 -6.383) 8.608 11.589 ( -7.800 0.393 0.708) 7.842 11.677 ( -0.581 -0.953 -5.100) 5.220 12.997 ( -15.201 -2.303 8.978) 17.803 13.336 ( 1.672 -7.055 -0.383) 7.260 13.974 ( 2.758 1.826 -1.823) 3.777 14.125 ( 6.970 1.963 -0.958) 7.304 14.509 ( 0.968 1.937 1.116) 2.436 14.610 ( 7.050 2.253 -1.077) 7.479 15.144 ( -4.210 0.845 2.681) 5.062 15.195 ( 2.290 1.273 -6.223) 6.752 ======================= Grid point 265 (136/148) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 3.823 3.252 -0.608) 5.055 1.251 ( 8.784 -2.301 -1.036) 9.140 1.320 ( -0.709 4.556 -7.973) 9.211 1.427 ( -5.509 0.174 -5.531) 7.809 1.462 ( 12.201 4.548 -1.122) 13.069 1.735 ( 3.390 0.273 1.847) 3.870 1.974 ( -3.387 4.022 -1.446) 5.453 2.253 ( 0.934 0.550 6.031) 6.128 2.362 ( 3.243 -2.476 -2.312) 4.690 2.512 ( 1.530 -6.625 -1.296) 6.922 2.583 ( 2.540 -0.097 4.119) 4.840 2.677 ( 0.733 -4.696 1.128) 4.885 2.883 ( 1.102 -3.929 1.215) 4.258 2.976 ( 1.064 5.937 -3.128) 6.795 3.181 ( 1.011 -0.044 -4.375) 4.490 3.325 ( 9.302 0.607 -0.122) 9.323 3.358 ( -7.349 4.917 -2.320) 9.142 3.824 ( -4.437 3.742 -3.362) 6.708 4.029 ( 2.049 0.872 0.624) 2.313 4.172 ( 0.744 5.291 2.259) 5.801 4.314 ( 0.944 5.017 3.038) 5.940 4.507 ( -4.256 0.476 -5.520) 6.987 4.635 ( -1.328 -0.496 0.232) 1.437 4.931 ( -0.355 4.528 0.142) 4.545 5.101 ( -5.950 -1.518 -6.196) 8.723 5.146 ( -7.985 2.167 -9.826) 12.845 5.271 ( -5.639 -1.148 -3.351) 6.659 5.561 ( -7.014 -1.880 3.114) 7.901 5.638 ( -12.114 0.417 -3.656) 12.661 6.256 ( 5.026 -5.925 -4.408) 8.933 10.244 ( -0.149 1.396 6.169) 6.326 10.283 ( 6.541 1.110 -6.409) 9.225 11.445 ( -7.824 0.996 -1.000) 7.951 11.587 ( -4.398 -0.778 -5.102) 6.781 12.857 ( -10.076 -2.601 10.250) 14.607 13.280 ( -6.601 -8.157 0.425) 10.502 14.027 ( 3.561 0.852 -0.988) 3.792 14.218 ( 5.716 1.850 -3.037) 6.732 14.537 ( 0.061 1.905 0.462) 1.961 14.695 ( 1.918 4.427 -2.365) 5.373 15.136 ( 3.154 -0.580 0.645) 3.271 15.210 ( 4.661 1.536 -2.042) 5.316 ======================= Grid point 266 (137/148) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -3.025 3.225 -4.087) 6.021 1.181 ( -7.584 6.092 -4.629) 10.773 1.263 ( 4.737 3.654 -3.602) 6.983 1.538 ( 9.259 -0.515 -0.241) 9.276 1.595 ( 3.434 1.519 0.104) 3.756 1.799 ( 1.165 -0.968 0.303) 1.545 1.993 ( 7.574 1.899 0.148) 7.810 2.291 ( 1.016 1.129 0.204) 1.533 2.383 ( 0.446 -1.519 0.252) 1.603 2.472 ( -2.673 -4.219 -3.397) 6.040 2.634 ( -1.466 -0.510 1.779) 2.361 2.701 ( -2.094 -3.441 2.054) 4.522 2.916 ( 4.108 -2.792 -0.717) 5.019 2.999 ( 3.486 3.336 1.635) 5.095 3.147 ( 2.234 1.052 -5.477) 6.008 3.301 ( -1.844 -1.876 2.057) 3.339 3.521 ( 12.584 4.174 0.104) 13.259 3.765 ( -0.670 1.499 0.166) 1.651 4.020 ( -1.688 0.143 -3.744) 4.109 4.215 ( 0.839 4.191 4.329) 6.084 4.326 ( -4.533 2.528 3.057) 6.023 4.398 ( -1.915 2.066 -6.216) 6.825 4.581 ( -4.238 0.188 0.149) 4.245 4.738 ( -9.127 3.905 -6.265) 11.739 4.948 ( -4.444 -0.213 -9.730) 10.699 4.998 ( -3.318 0.902 -9.145) 9.770 5.146 ( -8.548 1.390 3.012) 9.169 5.373 ( -11.268 0.948 -8.227) 13.984 5.636 ( 5.671 -1.853 13.592) 14.843 6.240 ( -0.403 -5.132 -8.743) 10.146 10.298 ( 0.280 1.413 6.054) 6.223 10.339 ( 5.718 1.189 -6.393) 8.659 11.326 ( -4.536 0.847 -0.781) 4.680 11.457 ( -5.662 -0.428 -3.962) 6.924 12.818 ( -3.999 -4.117 9.487) 11.088 13.145 ( -8.002 -8.609 -1.521) 11.851 14.085 ( 4.042 2.059 0.490) 4.563 14.280 ( 4.975 1.854 -4.305) 6.835 14.507 ( -3.327 2.606 0.151) 4.229 14.611 ( -6.496 5.584 -4.586) 9.717 15.256 ( 8.243 -1.660 0.069) 8.409 15.315 ( 5.482 0.294 2.902) 6.210 ======================= Grid point 267 (138/148) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.642 2.898 -2.891) 4.143 1.037 ( -5.524 4.420 -1.498) 7.231 1.367 ( 7.701 5.774 -0.160) 9.627 1.501 ( -6.342 5.406 -1.522) 8.472 1.724 ( 4.740 -2.343 3.789) 6.504 1.794 ( -0.704 -0.778 -2.193) 2.431 2.170 ( 11.039 -0.897 -0.594) 11.092 2.312 ( -1.273 1.077 1.093) 1.994 2.353 ( -2.914 -2.005 -1.142) 3.717 2.394 ( -2.703 -3.976 -1.009) 4.913 2.597 ( -1.112 1.386 0.416) 1.825 2.637 ( -3.780 0.564 -1.091) 3.975 3.036 ( 6.387 1.815 1.538) 6.816 3.085 ( 2.713 2.028 0.376) 3.408 3.165 ( 1.993 -4.245 1.984) 5.092 3.256 ( -3.557 -5.370 -2.775) 7.014 3.728 ( 8.112 4.842 2.139) 9.686 3.804 ( 2.820 -2.732 -0.446) 3.952 3.956 ( 2.661 2.851 -3.469) 5.219 4.143 ( -14.400 1.932 0.412) 14.535 4.282 ( -0.801 2.461 7.627) 8.054 4.333 ( 0.550 1.920 -7.500) 7.762 4.556 ( 0.314 2.727 2.508) 3.718 4.608 ( -2.834 3.443 -3.243) 5.513 4.835 ( -0.479 0.558 -4.899) 4.954 4.865 ( -3.936 1.706 -4.119) 5.947 5.078 ( -2.815 0.785 5.717) 6.420 5.155 ( -4.861 1.075 -8.470) 9.825 5.881 ( 7.174 -2.507 14.849) 16.681 6.104 ( -4.730 -3.859 -12.537) 13.945 10.347 ( -0.788 1.421 6.108) 6.321 10.365 ( 3.269 1.349 -6.282) 7.209 11.287 ( 0.245 0.272 0.691) 0.782 11.341 ( -4.165 -0.152 -2.404) 4.812 12.871 ( 1.636 -6.052 7.592) 9.846 12.993 ( -6.034 -7.808 -4.765) 10.958 14.188 ( 5.617 3.233 3.719) 7.472 14.298 ( 0.278 2.268 -5.954) 6.377 14.445 ( -2.555 4.029 -0.031) 4.771 14.471 ( -4.546 4.441 -1.303) 6.488 15.374 ( 5.619 -1.507 -2.134) 6.197 15.399 ( 0.053 -1.095 3.858) 4.011 ======================= Grid point 272 (139/148) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -6.144 -2.185 0.213) 6.525 0.875 ( 6.144 -2.185 -0.213) 6.525 1.391 ( -0.446 4.734 -3.449) 5.874 1.391 ( 0.446 4.734 3.449) 5.874 1.789 ( -2.021 0.944 -1.925) 2.946 1.789 ( 2.021 0.944 1.925) 2.946 2.106 ( 3.892 -0.230 -4.051) 5.622 2.106 ( -3.892 -0.230 4.051) 5.622 2.273 ( -0.147 0.748 -2.312) 2.434 2.273 ( 0.147 0.748 2.312) 2.434 2.602 ( 1.286 -0.974 -0.790) 1.796 2.602 ( -1.286 -0.974 0.790) 1.796 2.860 ( -0.516 -5.319 -1.273) 5.493 2.860 ( 0.516 -5.319 1.273) 5.493 3.181 ( 2.727 1.325 -7.375) 7.974 3.181 ( -2.727 1.325 7.375) 7.974 3.883 ( -5.364 4.014 -3.373) 7.501 3.883 ( 5.364 4.014 3.373) 7.501 4.272 ( -1.461 6.174 -2.760) 6.919 4.272 ( 1.461 6.174 2.760) 6.919 4.456 ( -5.223 8.642 -9.104) 13.595 4.456 ( 5.223 8.642 9.104) 13.595 4.790 ( -3.483 3.253 -4.269) 6.398 4.790 ( 3.483 3.253 4.269) 6.398 5.288 ( 0.602 -2.479 -5.851) 6.382 5.288 ( -0.602 -2.479 5.851) 6.382 5.707 ( -4.092 -5.769 -10.010) 12.257 5.707 ( 4.092 -5.769 10.010) 12.257 5.862 ( 1.296 -2.013 -3.351) 4.119 5.862 ( -1.296 -2.013 3.351) 4.119 10.232 ( 2.825 1.596 -4.876) 5.857 10.232 ( -2.825 1.596 4.876) 5.857 11.661 ( 2.117 -1.299 -3.268) 4.105 11.661 ( -2.117 -1.299 3.268) 4.105 13.122 ( 3.312 -3.274 -6.371) 7.891 13.122 ( -3.312 -3.274 6.371) 7.891 14.055 ( -3.613 1.761 -1.377) 4.248 14.055 ( 3.613 1.761 1.377) 4.248 14.565 ( -1.767 2.119 -0.066) 2.760 14.565 ( 1.767 2.119 0.066) 2.760 15.213 ( 2.946 0.951 -4.262) 5.268 15.213 ( -2.946 0.951 4.262) 5.268 ======================= Grid point 274 (140/148) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 8.654 -0.872 -0.040) 8.698 1.068 ( 14.985 -2.784 -2.249) 15.406 1.334 ( -1.779 3.609 0.655) 4.077 1.459 ( 3.402 1.422 -4.459) 5.785 1.667 ( -5.757 4.643 -1.661) 7.580 1.794 ( -0.422 3.633 -4.781) 6.020 2.094 ( -2.669 0.371 4.732) 5.445 2.182 ( 5.027 0.146 -1.129) 5.155 2.263 ( 0.770 -1.608 0.783) 1.947 2.340 ( 3.896 -0.249 3.495) 5.239 2.530 ( -3.897 -3.403 1.110) 5.291 2.638 ( 1.295 0.509 -2.146) 2.558 2.779 ( -3.711 -5.998 2.782) 7.582 2.990 ( 8.982 -2.316 -3.402) 9.880 3.163 ( 0.116 0.213 -0.547) 0.599 3.211 ( 0.634 0.327 2.810) 2.899 3.722 ( -8.600 7.543 -5.157) 12.548 3.970 ( 2.213 0.551 1.288) 2.619 4.151 ( -5.201 10.693 -7.228) 13.915 4.297 ( 0.713 7.099 -1.395) 7.270 4.376 ( -0.215 3.662 0.272) 3.678 4.611 ( 2.744 5.600 5.147) 8.086 4.695 ( -3.587 3.303 -3.000) 5.725 4.910 ( 5.403 3.725 6.044) 8.922 5.198 ( -3.063 -3.929 -10.763) 11.860 5.284 ( -2.569 -3.200 -0.005) 4.104 5.446 ( -12.768 -1.072 -5.110) 13.794 5.717 ( -5.979 1.113 -5.045) 7.902 5.813 ( -6.899 -0.922 1.179) 7.060 5.964 ( 8.465 -10.253 0.979) 13.332 10.242 ( -0.753 1.787 4.683) 5.069 10.258 ( 4.659 1.380 -4.684) 6.749 11.594 ( -5.958 -0.026 -0.021) 5.958 11.647 ( -1.660 -1.790 -3.052) 3.908 12.956 ( -12.750 -1.012 5.453) 13.904 13.172 ( -1.690 -7.440 -0.821) 7.674 14.034 ( 3.222 3.379 -3.222) 5.673 14.154 ( 6.812 0.578 -1.546) 7.009 14.564 ( 1.528 2.990 1.124) 3.541 14.653 ( 6.781 1.354 0.479) 6.931 15.169 ( -3.920 1.392 2.132) 4.674 15.220 ( 1.183 0.802 -3.320) 3.615 ======================= Grid point 275 (141/148) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 12.537 1.297 0.036) 12.604 1.247 ( 2.032 1.767 -3.260) 4.229 1.350 ( 9.029 -1.795 -4.711) 10.341 1.415 ( -2.133 -1.686 -4.541) 5.293 1.609 ( 1.411 8.440 -2.567) 8.934 1.775 ( 1.573 3.391 -0.976) 3.864 2.065 ( -3.399 3.926 1.957) 5.549 2.239 ( 2.055 -3.124 -0.070) 3.740 2.302 ( 4.009 -1.998 -1.846) 4.845 2.421 ( 1.349 -1.418 0.396) 1.997 2.522 ( 1.142 -4.718 3.999) 6.289 2.636 ( -1.185 -2.673 3.030) 4.211 2.781 ( 1.179 -1.468 2.828) 3.397 3.067 ( 4.964 3.009 -7.673) 9.621 3.179 ( 0.199 -1.013 1.382) 1.726 3.263 ( -0.121 -4.641 7.461) 8.788 3.544 ( -2.949 9.918 -7.544) 12.805 3.980 ( -0.218 4.312 -3.744) 5.715 4.023 ( -3.524 4.983 -3.666) 7.119 4.303 ( 1.009 5.794 -0.390) 5.894 4.386 ( -0.685 1.743 1.961) 2.711 4.580 ( -3.159 5.499 -4.198) 7.605 4.661 ( -1.975 2.404 1.078) 3.293 4.986 ( -6.607 -1.325 -10.898) 12.813 5.029 ( -1.435 -4.222 0.731) 4.519 5.157 ( -6.041 -2.215 -9.882) 11.793 5.304 ( -4.134 6.389 4.959) 9.083 5.556 ( -5.581 1.529 -2.984) 6.510 5.641 ( -10.991 -0.191 -3.073) 11.414 6.078 ( 4.333 -10.461 -1.266) 11.393 10.281 ( 0.688 1.920 4.589) 5.022 10.310 ( 5.683 1.240 -4.676) 7.463 11.470 ( -7.159 1.167 -1.132) 7.341 11.561 ( -4.629 -1.587 -3.611) 6.082 12.804 ( -9.866 -1.685 6.188) 11.767 13.077 ( -7.380 -9.799 -0.706) 12.287 14.084 ( 4.997 4.048 -2.785) 7.008 14.247 ( 6.308 0.665 -3.516) 7.252 14.602 ( 0.692 3.897 0.890) 4.057 14.763 ( 2.802 1.423 0.833) 3.251 15.140 ( 0.773 1.027 0.470) 1.369 15.231 ( 2.927 0.198 -0.739) 3.025 ======================= Grid point 276 (142/148) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -4.225 3.286 -6.497) 8.417 1.240 ( -3.715 1.274 -3.538) 5.286 1.363 ( 5.581 2.347 -1.214) 6.175 1.539 ( 12.591 1.376 -1.252) 12.728 1.657 ( 2.706 3.184 -1.380) 4.401 1.799 ( 1.665 2.021 -1.109) 2.844 2.047 ( 1.382 3.141 1.057) 3.591 2.262 ( 2.249 -4.880 -3.545) 6.437 2.352 ( 2.426 -0.769 -1.932) 3.195 2.401 ( -2.660 -0.840 1.133) 3.011 2.602 ( 3.419 -3.877 3.277) 6.120 2.637 ( -2.890 -4.531 3.720) 6.536 2.856 ( 2.924 1.775 4.632) 5.758 3.068 ( 1.737 2.234 -2.878) 4.037 3.179 ( 2.139 0.310 -5.335) 5.757 3.254 ( -6.708 -1.999 6.779) 9.744 3.590 ( 10.608 2.928 -1.704) 11.136 3.905 ( -2.937 10.138 -4.384) 11.429 3.971 ( 0.174 -3.039 -3.381) 4.549 4.320 ( 0.127 3.723 1.567) 4.041 4.372 ( -2.239 2.128 0.510) 3.131 4.473 ( -6.511 4.207 -4.109) 8.774 4.620 ( -2.373 2.429 0.596) 3.448 4.763 ( -6.242 -1.929 -7.391) 9.864 4.955 ( -4.215 0.520 -6.424) 7.701 5.009 ( -1.936 0.203 -8.528) 8.748 5.199 ( -9.676 3.614 1.760) 10.477 5.382 ( -10.805 -0.391 -6.573) 12.653 5.627 ( 5.736 1.840 9.492) 11.242 6.089 ( -0.233 -8.752 -4.688) 9.931 10.336 ( 1.056 1.994 4.516) 5.048 10.368 ( 5.123 1.323 -4.654) 7.047 11.349 ( -5.126 1.252 -0.955) 5.362 11.440 ( -5.525 -1.179 -3.257) 6.521 12.726 ( -4.998 -3.793 5.924) 8.629 12.933 ( -7.235 -10.060 -2.080) 12.564 14.163 ( 6.002 4.806 -0.702) 7.721 14.318 ( 5.613 1.395 -4.234) 7.168 14.587 ( -2.943 4.555 0.996) 5.514 14.713 ( -6.954 3.308 -1.347) 7.818 15.226 ( 7.116 -0.917 0.247) 7.179 15.304 ( 3.931 -1.291 1.906) 4.555 ======================= Grid point 277 (143/148) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.871 2.117 -3.982) 4.593 1.101 ( -6.635 1.402 -1.101) 6.870 1.491 ( 8.028 4.485 -0.743) 9.225 1.609 ( -5.246 3.187 0.097) 6.139 1.729 ( 6.546 3.213 1.551) 7.456 1.802 ( -0.477 2.425 -1.802) 3.058 2.142 ( 8.087 -1.106 -1.067) 8.232 2.246 ( -2.729 -5.651 -1.209) 6.391 2.331 ( 2.189 0.582 -4.366) 4.918 2.383 ( -5.656 0.865 5.678) 8.061 2.610 ( -0.285 -1.046 1.011) 1.482 2.643 ( -1.052 0.374 -0.611) 1.273 2.964 ( 6.619 -6.210 3.583) 9.758 3.096 ( -1.543 -5.256 -2.000) 5.831 3.154 ( -0.740 2.416 2.557) 3.595 3.202 ( -1.457 3.954 -1.993) 4.661 3.758 ( 6.699 -0.845 0.120) 6.753 3.829 ( -3.366 2.302 -0.177) 4.082 4.010 ( 9.733 4.157 -3.677) 11.204 4.224 ( -14.626 3.441 1.684) 15.119 4.344 ( 0.011 3.648 1.838) 4.085 4.367 ( -0.075 1.481 -3.935) 4.205 4.613 ( 0.163 1.900 1.935) 2.717 4.654 ( -1.895 0.530 -3.845) 4.319 4.866 ( 0.138 2.322 -3.366) 4.092 4.908 ( -3.576 2.098 -3.598) 5.490 5.106 ( -2.343 1.677 3.586) 4.600 5.178 ( -5.692 0.744 -5.873) 8.213 5.827 ( 6.315 -1.948 10.359) 12.288 5.997 ( -3.991 -5.731 -8.026) 10.639 10.385 ( -0.129 1.944 4.558) 4.957 10.399 ( 2.778 1.660 -4.625) 5.644 11.294 ( -0.656 0.328 0.421) 0.846 11.333 ( -3.689 -0.626 -2.097) 4.289 12.729 ( -0.006 -6.309 5.085) 8.103 12.806 ( -4.336 -8.644 -3.755) 10.373 14.280 ( 6.184 4.922 2.193) 8.202 14.358 ( 1.967 2.972 -4.366) 5.636 14.539 ( -2.853 4.343 1.500) 5.409 14.571 ( -5.805 4.157 -1.573) 7.311 15.334 ( 4.760 -1.975 -0.815) 5.218 15.363 ( 0.155 -2.171 2.038) 2.982 ======================= Grid point 282 (144/148) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -2.316 -1.064 -0.267) 2.563 0.837 ( 2.316 -1.064 0.267) 2.563 1.457 ( -0.185 1.485 -1.259) 1.956 1.457 ( 0.185 1.485 1.259) 1.956 1.822 ( -1.971 1.339 -0.724) 2.490 1.822 ( 1.971 1.339 0.724) 2.490 2.117 ( 2.851 0.986 -2.812) 4.124 2.117 ( -2.851 0.986 2.812) 4.124 2.259 ( -1.156 -1.343 -0.626) 1.879 2.259 ( 1.156 -1.343 0.626) 1.879 2.626 ( -2.620 2.815 -2.579) 4.630 2.626 ( 2.620 2.815 2.579) 4.630 2.731 ( -5.620 -5.633 -0.657) 7.984 2.731 ( 5.620 -5.633 0.657) 7.984 3.198 ( 0.759 0.292 -3.201) 3.303 3.198 ( -0.759 0.292 3.201) 3.303 3.940 ( -1.756 1.298 -1.208) 2.495 3.940 ( 1.756 1.298 1.208) 2.495 4.365 ( -0.798 2.146 -0.632) 2.375 4.365 ( 0.798 2.146 0.632) 2.375 4.670 ( -1.859 8.853 -6.510) 11.145 4.670 ( 1.859 8.853 6.510) 11.145 4.842 ( -3.501 1.418 -2.917) 4.773 4.842 ( 3.501 1.418 2.917) 4.773 5.204 ( -0.648 -4.668 -4.011) 6.189 5.204 ( 0.648 -4.668 4.011) 6.189 5.594 ( -2.940 -3.213 -4.117) 5.993 5.594 ( 2.940 -3.213 4.117) 5.993 5.841 ( -0.259 -0.349 -1.746) 1.799 5.841 ( 0.259 -0.349 1.746) 1.799 10.259 ( 1.071 0.727 -1.869) 2.273 10.259 ( -1.071 0.727 1.869) 2.273 11.636 ( 0.647 -0.812 -1.339) 1.694 11.636 ( -0.647 -0.812 1.339) 1.694 13.077 ( 1.241 -0.960 -2.678) 3.104 13.077 ( -1.241 -0.960 2.678) 3.104 14.080 ( -1.309 0.572 -0.528) 1.523 14.080 ( 1.309 0.572 0.528) 1.523 14.600 ( -0.825 0.937 -0.016) 1.248 14.600 ( 0.825 0.937 0.016) 1.248 15.227 ( 1.016 0.364 -1.602) 1.932 15.227 ( -1.016 0.364 1.602) 1.932 ======================= Grid point 284 (145/148) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 10.904 2.334 -0.022) 11.151 0.990 ( 13.641 -4.052 -0.268) 14.232 1.397 ( -2.876 2.561 -2.256) 4.463 1.445 ( -0.988 -1.855 -5.237) 5.643 1.796 ( -0.747 5.599 0.601) 5.680 1.854 ( 0.790 0.733 -2.125) 2.383 2.106 ( -1.145 1.540 4.490) 4.883 2.159 ( 1.957 -2.402 0.264) 3.110 2.243 ( 2.311 1.017 -3.323) 4.173 2.310 ( 4.539 -3.822 -2.675) 6.509 2.515 ( -6.218 2.559 2.075) 7.037 2.598 ( -5.877 -4.548 0.927) 7.489 2.756 ( 4.676 4.504 3.387) 7.323 2.886 ( 8.666 -6.576 2.506) 11.163 3.178 ( 0.007 1.201 -3.200) 3.418 3.205 ( -1.279 -0.988 2.297) 2.809 3.861 ( -5.031 5.276 -2.714) 7.778 3.945 ( -1.371 -2.626 -0.404) 2.990 4.350 ( -0.285 4.849 -1.097) 4.980 4.385 ( 0.809 0.707 0.133) 1.082 4.542 ( -4.454 13.576 -8.357) 16.552 4.713 ( -0.188 1.664 -0.139) 1.680 4.762 ( -3.517 2.599 -1.150) 4.522 4.884 ( -1.958 -8.966 -0.889) 9.221 5.126 ( -1.806 1.773 -4.754) 5.386 5.206 ( -1.368 -3.692 -3.340) 5.163 5.517 ( -3.122 6.829 1.918) 7.750 5.712 ( 3.493 -9.878 4.507) 11.405 5.757 ( -5.784 1.083 -4.980) 7.709 5.796 ( -3.874 -2.226 -2.792) 5.269 10.273 ( 0.907 0.997 1.782) 2.234 10.279 ( 2.945 0.444 -1.751) 3.454 11.593 ( -3.903 0.208 -0.831) 3.996 11.610 ( -2.715 -1.427 -1.346) 3.350 12.966 ( -10.057 1.995 2.161) 10.478 13.040 ( -6.390 -4.878 0.204) 8.042 14.102 ( 4.981 2.840 -3.109) 6.523 14.147 ( 6.362 -1.266 -2.363) 6.903 14.625 ( 3.011 2.486 1.066) 4.047 14.660 ( 5.073 -0.697 0.915) 5.202 15.200 ( -2.529 1.407 0.872) 3.022 15.223 ( -0.610 -0.589 -0.814) 1.175 ======================= Grid point 285 (146/148) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 14.583 3.721 0.825) 15.073 1.253 ( 15.918 -3.994 -0.982) 16.440 1.317 ( -3.638 1.758 -4.222) 5.844 1.368 ( -1.619 -2.420 -6.316) 6.955 1.769 ( -0.711 5.928 -3.228) 6.787 1.835 ( -0.038 0.513 -2.177) 2.237 2.131 ( -0.035 2.358 1.631) 2.867 2.173 ( -0.363 -1.749 0.463) 1.845 2.286 ( 4.673 0.569 -2.295) 5.237 2.352 ( 4.065 -5.185 -5.081) 8.321 2.483 ( -1.143 0.515 5.030) 5.184 2.526 ( -3.788 -4.138 3.106) 6.413 2.877 ( 4.411 7.981 6.498) 11.197 3.058 ( 7.148 -7.437 4.734) 11.350 3.142 ( -1.124 1.694 -3.222) 3.810 3.189 ( -2.408 -2.218 1.465) 3.587 3.744 ( -3.998 8.499 -4.307) 10.333 3.898 ( -2.400 -5.991 -2.091) 6.785 4.308 ( -2.887 12.172 -5.047) 13.489 4.382 ( -0.469 1.039 -1.736) 2.077 4.430 ( -1.853 5.716 -2.105) 6.366 4.672 ( -4.397 -5.711 -3.244) 7.904 4.687 ( -2.679 3.900 -2.373) 5.294 4.775 ( -4.796 -9.492 -4.377) 11.500 5.063 ( -1.303 3.043 -6.023) 6.873 5.116 ( -2.926 -1.836 -7.599) 8.347 5.478 ( -8.022 8.386 2.937) 11.971 5.584 ( -9.541 -1.069 -4.533) 10.617 5.655 ( -1.966 3.738 -0.767) 4.293 5.835 ( 3.887 -11.590 1.796) 12.355 10.317 ( 2.237 1.217 1.752) 3.092 10.327 ( 4.135 0.218 -1.736) 4.490 11.494 ( -5.960 1.219 -1.550) 6.277 11.525 ( -5.090 -1.681 -2.228) 5.805 12.806 ( -9.769 2.108 2.415) 10.282 12.898 ( -8.967 -6.568 0.125) 11.116 14.175 ( 6.227 3.960 -3.416) 8.132 14.237 ( 6.722 -1.738 -3.576) 7.810 14.688 ( 1.809 3.899 1.301) 4.491 14.754 ( 2.870 -2.011 1.387) 3.769 15.175 ( -0.019 2.039 0.459) 2.090 15.216 ( 1.010 -1.523 0.073) 1.829 ======================= Grid point 286 (147/148) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -5.127 2.673 -5.914) 8.271 1.239 ( -5.810 -1.721 -4.427) 7.505 1.415 ( 11.210 3.698 -0.280) 11.807 1.503 ( 12.283 -3.925 -0.818) 12.921 1.763 ( 3.370 5.344 -3.374) 7.162 1.835 ( 2.413 -0.536 -2.198) 3.308 2.121 ( -0.525 3.323 0.098) 3.365 2.172 ( 0.287 -2.406 -0.892) 2.582 2.339 ( 2.302 -0.085 -1.880) 2.974 2.379 ( 2.065 -2.706 -1.414) 3.686 2.515 ( 1.809 -1.960 2.819) 3.881 2.541 ( 1.777 -2.922 3.375) 4.805 2.967 ( -3.927 6.339 7.178) 10.350 3.073 ( -4.782 -2.607 0.534) 5.473 3.166 ( 1.159 0.240 0.285) 1.218 3.204 ( 5.227 -2.734 1.668) 6.130 3.696 ( 2.694 6.765 -2.595) 7.731 3.843 ( -1.306 -6.493 -2.397) 7.044 4.194 ( -3.156 12.763 -6.296) 14.577 4.346 ( -3.485 -1.471 -0.660) 3.840 4.409 ( -0.266 2.346 -0.391) 2.393 4.516 ( -6.696 -4.109 -4.304) 8.957 4.645 ( -0.765 1.186 -2.013) 2.458 4.689 ( -2.025 -2.709 -3.407) 4.800 4.979 ( -1.770 1.725 -6.634) 7.080 5.007 ( -1.661 -0.591 -7.423) 7.629 5.289 ( -11.232 4.267 -0.960) 12.054 5.358 ( -10.800 -2.025 -4.449) 11.855 5.717 ( 3.651 6.397 4.990) 8.896 5.889 ( 1.211 -9.376 0.386) 9.462 10.374 ( 2.406 1.306 1.750) 3.249 10.386 ( 3.960 0.207 -1.709) 4.318 11.377 ( -5.427 1.437 -1.501) 5.811 11.410 ( -5.463 -1.577 -2.330) 6.145 12.686 ( -6.056 0.494 2.238) 6.475 12.756 ( -6.806 -6.093 -0.542) 9.151 14.264 ( 6.869 4.185 -1.995) 8.287 14.323 ( 6.585 -1.178 -3.267) 7.445 14.682 ( -3.510 3.947 1.076) 5.391 14.738 ( -5.226 -0.968 0.401) 5.330 15.226 ( 4.759 1.079 0.388) 4.895 15.265 ( 3.377 -2.191 1.012) 4.151 ======================= Grid point 287 (148/148) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -1.598 1.340 -3.342) 3.939 1.103 ( -4.923 -0.919 -2.039) 5.408 1.569 ( 6.612 3.412 -0.146) 7.442 1.624 ( 1.290 -1.272 -0.007) 1.812 1.809 ( 4.433 3.173 -2.708) 6.087 1.850 ( -0.961 0.108 0.360) 1.032 2.153 ( 4.216 1.898 -1.685) 4.921 2.175 ( -0.654 -0.710 2.466) 2.648 2.333 ( 0.859 0.022 -2.366) 2.517 2.369 ( -2.921 -2.552 -0.108) 3.880 2.593 ( 4.682 0.608 1.532) 4.964 2.629 ( 3.371 -1.742 1.228) 3.988 2.892 ( -4.073 0.120 1.929) 4.509 2.958 ( -7.940 -5.591 -0.030) 9.711 3.236 ( 3.140 3.284 1.693) 4.849 3.264 ( 1.155 0.977 -0.544) 1.608 3.770 ( 4.857 1.906 0.285) 5.225 3.820 ( -0.801 -2.158 -0.222) 2.312 4.135 ( 2.519 6.018 -3.724) 7.512 4.228 ( -8.244 -2.549 -0.213) 8.632 4.406 ( 0.384 2.310 -0.423) 2.380 4.424 ( -1.652 1.927 -1.316) 2.859 4.627 ( -0.007 -0.014 -0.404) 0.405 4.641 ( -0.880 -1.123 -1.930) 2.401 4.918 ( 0.306 2.067 -3.239) 3.855 4.938 ( -1.380 0.341 -3.183) 3.486 5.144 ( -4.021 1.851 0.765) 4.492 5.177 ( -5.725 -0.945 -2.498) 6.318 5.818 ( 2.963 1.312 4.312) 5.393 5.882 ( -1.206 -4.564 -2.025) 5.136 10.419 ( 0.875 1.096 1.767) 2.256 10.425 ( 1.957 0.575 -1.720) 2.668 11.302 ( -1.828 0.519 -0.328) 1.928 11.317 ( -2.889 -0.818 -1.340) 3.288 12.637 ( -1.523 -1.834 1.844) 3.014 12.663 ( -2.920 -4.246 -1.258) 5.304 14.373 ( 5.775 3.281 0.055) 6.642 14.402 ( 4.162 0.631 -2.276) 4.785 14.613 ( -4.033 2.342 0.935) 4.756 14.629 ( -5.592 1.030 -0.223) 5.691 15.303 ( 3.059 -0.552 -0.038) 3.109 15.317 ( 1.085 -1.724 0.784) 2.182 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/21168 10.0 180.359 162.881 207.260 0.000 5.821 0.000 3/21168 20.0 43.897 35.189 39.890 0.000 1.640 0.000 3/21168 30.0 20.363 16.502 17.551 0.000 1.012 0.000 3/21168 40.0 12.303 10.095 10.409 0.000 0.679 0.000 3/21168 50.0 8.620 7.149 7.239 0.000 0.510 0.000 3/21168 60.0 6.617 5.544 5.547 0.000 0.417 0.000 3/21168 70.0 5.388 4.557 4.520 0.000 0.360 0.000 3/21168 80.0 4.564 3.891 3.834 0.000 0.321 0.000 3/21168 90.0 3.973 3.409 3.344 0.000 0.291 0.000 3/21168 100.0 3.529 3.044 2.975 0.000 0.268 0.000 3/21168 110.0 3.182 2.755 2.685 0.000 0.248 0.000 3/21168 120.0 2.903 2.520 2.450 0.000 0.231 0.000 3/21168 130.0 2.673 2.324 2.256 0.000 0.216 0.000 3/21168 140.0 2.480 2.158 2.093 0.000 0.203 0.000 3/21168 150.0 2.315 2.016 1.952 0.000 0.191 0.000 3/21168 160.0 2.173 1.892 1.830 0.000 0.181 0.000 3/21168 170.0 2.048 1.783 1.724 0.000 0.172 0.000 3/21168 180.0 1.937 1.686 1.629 0.000 0.163 0.000 3/21168 190.0 1.839 1.600 1.545 0.000 0.156 0.000 3/21168 200.0 1.751 1.522 1.469 0.000 0.149 0.000 3/21168 210.0 1.671 1.452 1.400 0.000 0.142 0.000 3/21168 220.0 1.598 1.388 1.338 0.000 0.136 0.000 3/21168 230.0 1.532 1.329 1.281 0.000 0.131 0.000 3/21168 240.0 1.471 1.275 1.229 0.000 0.126 0.000 3/21168 250.0 1.415 1.226 1.181 0.000 0.122 0.000 3/21168 260.0 1.363 1.180 1.137 0.000 0.117 0.000 3/21168 270.0 1.315 1.138 1.096 0.000 0.113 0.000 3/21168 280.0 1.270 1.098 1.057 0.000 0.110 0.000 3/21168 290.0 1.228 1.061 1.022 0.000 0.106 0.000 3/21168 300.0 1.189 1.027 0.988 0.000 0.103 0.000 3/21168 310.0 1.152 0.995 0.957 0.000 0.100 0.000 3/21168 320.0 1.117 0.964 0.928 0.000 0.097 0.000 3/21168 330.0 1.085 0.936 0.901 0.000 0.094 0.000 3/21168 340.0 1.054 0.909 0.875 0.000 0.091 0.000 3/21168 350.0 1.025 0.884 0.850 0.000 0.089 0.000 3/21168 360.0 0.998 0.860 0.827 0.000 0.087 0.000 3/21168 370.0 0.972 0.837 0.805 0.000 0.084 0.000 3/21168 380.0 0.947 0.815 0.784 0.000 0.082 0.000 3/21168 390.0 0.924 0.795 0.765 0.000 0.080 0.000 3/21168 400.0 0.901 0.775 0.746 0.000 0.078 0.000 3/21168 410.0 0.880 0.757 0.728 0.000 0.077 0.000 3/21168 420.0 0.860 0.739 0.711 0.000 0.075 0.000 3/21168 430.0 0.840 0.722 0.695 0.000 0.073 0.000 3/21168 440.0 0.822 0.706 0.679 0.000 0.072 0.000 3/21168 450.0 0.804 0.691 0.664 0.000 0.070 0.000 3/21168 460.0 0.787 0.676 0.650 0.000 0.069 0.000 3/21168 470.0 0.771 0.662 0.636 0.000 0.067 0.000 3/21168 480.0 0.755 0.648 0.623 0.000 0.066 0.000 3/21168 490.0 0.740 0.635 0.611 0.000 0.065 0.000 3/21168 500.0 0.726 0.623 0.599 0.000 0.063 0.000 3/21168 510.0 0.712 0.611 0.587 0.000 0.062 0.000 3/21168 520.0 0.698 0.599 0.576 0.000 0.061 0.000 3/21168 530.0 0.686 0.588 0.565 0.000 0.060 0.000 3/21168 540.0 0.673 0.577 0.555 0.000 0.059 0.000 3/21168 550.0 0.661 0.567 0.545 0.000 0.058 0.000 3/21168 560.0 0.650 0.557 0.536 0.000 0.057 0.000 3/21168 570.0 0.638 0.547 0.526 0.000 0.056 0.000 3/21168 580.0 0.628 0.538 0.517 0.000 0.055 0.000 3/21168 590.0 0.617 0.529 0.509 0.000 0.054 0.000 3/21168 600.0 0.607 0.520 0.500 0.000 0.053 0.000 3/21168 610.0 0.597 0.512 0.492 0.000 0.052 0.000 3/21168 620.0 0.588 0.504 0.484 0.000 0.051 0.000 3/21168 630.0 0.579 0.496 0.477 0.000 0.051 0.000 3/21168 640.0 0.570 0.488 0.469 0.000 0.050 0.000 3/21168 650.0 0.561 0.481 0.462 0.000 0.049 0.000 3/21168 660.0 0.553 0.474 0.455 0.000 0.048 0.000 3/21168 670.0 0.545 0.467 0.448 0.000 0.048 0.000 3/21168 680.0 0.537 0.460 0.442 0.000 0.047 0.000 3/21168 690.0 0.529 0.453 0.436 0.000 0.046 0.000 3/21168 700.0 0.522 0.447 0.429 0.000 0.046 0.000 3/21168 710.0 0.515 0.441 0.423 0.000 0.045 0.000 3/21168 720.0 0.507 0.435 0.418 0.000 0.044 0.000 3/21168 730.0 0.501 0.429 0.412 0.000 0.044 0.000 3/21168 740.0 0.494 0.423 0.406 0.000 0.043 0.000 3/21168 750.0 0.487 0.417 0.401 0.000 0.043 0.000 3/21168 760.0 0.481 0.412 0.396 0.000 0.042 0.000 3/21168 770.0 0.475 0.407 0.391 0.000 0.042 0.000 3/21168 780.0 0.469 0.401 0.386 0.000 0.041 0.000 3/21168 790.0 0.463 0.396 0.381 0.000 0.041 0.000 3/21168 800.0 0.457 0.391 0.376 0.000 0.040 0.000 3/21168 810.0 0.452 0.387 0.372 0.000 0.040 0.000 3/21168 820.0 0.446 0.382 0.367 0.000 0.039 0.000 3/21168 830.0 0.441 0.377 0.363 0.000 0.039 0.000 3/21168 840.0 0.436 0.373 0.358 0.000 0.038 0.000 3/21168 850.0 0.431 0.369 0.354 0.000 0.038 0.000 3/21168 860.0 0.426 0.364 0.350 0.000 0.037 0.000 3/21168 870.0 0.421 0.360 0.346 0.000 0.037 0.000 3/21168 880.0 0.416 0.356 0.342 0.000 0.036 0.000 3/21168 890.0 0.412 0.352 0.338 0.000 0.036 0.000 3/21168 900.0 0.407 0.348 0.335 0.000 0.036 0.000 3/21168 910.0 0.403 0.344 0.331 0.000 0.035 0.000 3/21168 920.0 0.398 0.341 0.327 0.000 0.035 0.000 3/21168 930.0 0.394 0.337 0.324 0.000 0.035 0.000 3/21168 940.0 0.390 0.334 0.321 0.000 0.034 0.000 3/21168 950.0 0.386 0.330 0.317 0.000 0.034 0.000 3/21168 960.0 0.382 0.327 0.314 0.000 0.033 0.000 3/21168 970.0 0.378 0.323 0.311 0.000 0.033 0.000 3/21168 980.0 0.374 0.320 0.308 0.000 0.033 0.000 3/21168 990.0 0.370 0.317 0.304 0.000 0.032 0.000 3/21168 1000.0 0.367 0.314 0.301 0.000 0.032 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m978.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:02:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|