----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:49:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.680938850013558 0.000000000000000 0.000000000000000 b 0.000000000000000 7.604269890000000 0.000000000000000 c -6.475496727596883 0.000000000000000 9.915974393921676 Atomic positions (fractional): *1 P 0.10879772418494 0.11431182339239 0.06176844206761 30.974 2 P 0.89120227581506 0.61431182339238 0.43823155793239 30.974 3 P 0.89120227581506 0.88568817660762 0.93823155793239 30.974 4 P 0.10879772418494 0.38568817660762 0.56176844206761 30.974 *5 S 0.31579329445561 0.47620348794325 0.75301351611018 32.065 6 S 0.68420670554439 0.97620348794324 0.74698648388982 32.065 7 S 0.68420670554439 0.52379651205676 0.24698648388982 32.065 8 S 0.31579329445561 0.02379651205675 0.25301351611018 32.065 *9 S 0.28602712151137 0.29975695453298 0.47765501189610 32.065 10 S 0.71397287848863 0.79975695453298 0.02234498810390 32.065 11 S 0.71397287848863 0.70024304546702 0.52234498810390 32.065 12 S 0.28602712151137 0.20024304546702 0.97765501189610 32.065 *13 S 0.86427567341943 0.20597866804802 0.53863094572929 32.065 14 S 0.13572432658057 0.70597866804802 0.96136905427071 32.065 15 S 0.13572432658057 0.79402133195198 0.46136905427071 32.065 16 S 0.86427567341943 0.29402133195198 0.03863094572929 32.065 *17 Ba 0.79330636485218 0.09562515806387 0.25182072271861 137.327 18 Ba 0.20669363514782 0.59562515806387 0.24817927728139 137.327 19 Ba 0.20669363514782 0.90437484193613 0.74817927728139 137.327 20 Ba 0.79330636485218 0.40437484193613 0.75182072271861 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.680938850013558 0.000000000000000 0.000000000000000 b 0.000000000000000 7.604269890000000 0.000000000000000 c -6.475496727596883 0.000000000000000 9.915974393921676 Atomic positions (fractional): *1 P 0.10879772418494 0.11431182339239 0.06176844206761 30.974 > 1 2 P 0.89120227581506 0.61431182339238 0.43823155793239 30.974 > 2 3 P 0.89120227581506 0.88568817660762 0.93823155793239 30.974 > 3 4 P 0.10879772418494 0.38568817660762 0.56176844206761 30.974 > 4 *5 S 0.31579329445561 0.47620348794325 0.75301351611018 32.065 > 5 6 S 0.68420670554439 0.97620348794324 0.74698648388982 32.065 > 6 7 S 0.68420670554439 0.52379651205676 0.24698648388982 32.065 > 7 8 S 0.31579329445561 0.02379651205675 0.25301351611018 32.065 > 8 *9 S 0.28602712151137 0.29975695453298 0.47765501189610 32.065 > 9 10 S 0.71397287848863 0.79975695453298 0.02234498810390 32.065 > 10 11 S 0.71397287848863 0.70024304546702 0.52234498810390 32.065 > 11 12 S 0.28602712151137 0.20024304546702 0.97765501189610 32.065 > 12 *13 S 0.86427567341943 0.20597866804802 0.53863094572929 32.065 > 13 14 S 0.13572432658057 0.70597866804802 0.96136905427071 32.065 > 14 15 S 0.13572432658057 0.79402133195198 0.46136905427071 32.065 > 15 16 S 0.86427567341943 0.29402133195198 0.03863094572929 32.065 > 16 *17 Ba 0.79330636485218 0.09562515806387 0.25182072271861 137.327 > 17 18 Ba 0.20669363514782 0.59562515806387 0.24817927728139 137.327 > 18 19 Ba 0.20669363514782 0.90437484193613 0.74817927728139 137.327 > 19 20 Ba 0.79330636485218 0.40437484193613 0.75182072271861 137.327 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.361877700027115 0.000000000000000 0.000000000000000 b 0.000000000000000 15.208539780000001 0.000000000000000 c -6.475496727596883 0.000000000000000 9.915974393921676 Atomic positions (fractional): *1 P 0.05439886209247 0.05715591169619 0.06176844206761 30.974 > 1 2 P 0.55439886209247 0.05715591169619 0.06176844206761 30.974 > 1 3 P 0.05439886209247 0.55715591169619 0.06176844206761 30.974 > 1 4 P 0.55439886209247 0.55715591169619 0.06176844206761 30.974 > 1 5 P 0.44560113790753 0.30715591169619 0.43823155793239 30.974 > 2 6 P 0.94560113790753 0.30715591169619 0.43823155793239 30.974 > 2 7 P 0.44560113790753 0.80715591169619 0.43823155793239 30.974 > 2 8 P 0.94560113790753 0.80715591169619 0.43823155793239 30.974 > 2 9 P 0.44560113790753 0.44284408830381 0.93823155793239 30.974 > 3 10 P 0.94560113790753 0.44284408830381 0.93823155793239 30.974 > 3 11 P 0.44560113790753 0.94284408830381 0.93823155793239 30.974 > 3 12 P 0.94560113790753 0.94284408830381 0.93823155793239 30.974 > 3 13 P 0.05439886209247 0.19284408830381 0.56176844206761 30.974 > 4 14 P 0.55439886209247 0.19284408830381 0.56176844206761 30.974 > 4 15 P 0.05439886209247 0.69284408830381 0.56176844206761 30.974 > 4 16 P 0.55439886209247 0.69284408830381 0.56176844206761 30.974 > 4 *17 S 0.15789664722781 0.23810174397162 0.75301351611018 32.065 > 5 18 S 0.65789664722781 0.23810174397162 0.75301351611018 32.065 > 5 19 S 0.15789664722781 0.73810174397162 0.75301351611018 32.065 > 5 20 S 0.65789664722781 0.73810174397162 0.75301351611018 32.065 > 5 21 S 0.34210335277219 0.48810174397162 0.74698648388982 32.065 > 6 22 S 0.84210335277219 0.48810174397162 0.74698648388982 32.065 > 6 23 S 0.34210335277219 0.98810174397162 0.74698648388982 32.065 > 6 24 S 0.84210335277219 0.98810174397162 0.74698648388982 32.065 > 6 25 S 0.34210335277219 0.26189825602838 0.24698648388982 32.065 > 7 26 S 0.84210335277219 0.26189825602838 0.24698648388982 32.065 > 7 27 S 0.34210335277219 0.76189825602838 0.24698648388982 32.065 > 7 28 S 0.84210335277219 0.76189825602838 0.24698648388982 32.065 > 7 29 S 0.15789664722781 0.01189825602838 0.25301351611018 32.065 > 8 30 S 0.65789664722781 0.01189825602838 0.25301351611018 32.065 > 8 31 S 0.15789664722781 0.51189825602838 0.25301351611018 32.065 > 8 32 S 0.65789664722781 0.51189825602838 0.25301351611018 32.065 > 8 *33 S 0.14301356075568 0.14987847726649 0.47765501189610 32.065 > 9 34 S 0.64301356075569 0.14987847726649 0.47765501189610 32.065 > 9 35 S 0.14301356075568 0.64987847726649 0.47765501189610 32.065 > 9 36 S 0.64301356075569 0.64987847726649 0.47765501189610 32.065 > 9 37 S 0.35698643924432 0.39987847726649 0.02234498810390 32.065 > 10 38 S 0.85698643924431 0.39987847726649 0.02234498810390 32.065 > 10 39 S 0.35698643924432 0.89987847726649 0.02234498810390 32.065 > 10 40 S 0.85698643924431 0.89987847726649 0.02234498810390 32.065 > 10 41 S 0.35698643924432 0.35012152273351 0.52234498810390 32.065 > 11 42 S 0.85698643924431 0.35012152273351 0.52234498810390 32.065 > 11 43 S 0.35698643924432 0.85012152273351 0.52234498810390 32.065 > 11 44 S 0.85698643924431 0.85012152273351 0.52234498810390 32.065 > 11 45 S 0.14301356075568 0.10012152273351 0.97765501189610 32.065 > 12 46 S 0.64301356075569 0.10012152273351 0.97765501189610 32.065 > 12 47 S 0.14301356075568 0.60012152273351 0.97765501189610 32.065 > 12 48 S 0.64301356075569 0.60012152273351 0.97765501189610 32.065 > 12 *49 S 0.43213783670971 0.10298933402401 0.53863094572929 32.065 > 13 50 S 0.93213783670971 0.10298933402401 0.53863094572929 32.065 > 13 51 S 0.43213783670971 0.60298933402401 0.53863094572929 32.065 > 13 52 S 0.93213783670971 0.60298933402401 0.53863094572929 32.065 > 13 53 S 0.06786216329029 0.35298933402401 0.96136905427071 32.065 > 14 54 S 0.56786216329029 0.35298933402401 0.96136905427071 32.065 > 14 55 S 0.06786216329029 0.85298933402401 0.96136905427071 32.065 > 14 56 S 0.56786216329029 0.85298933402401 0.96136905427071 32.065 > 14 57 S 0.06786216329029 0.39701066597599 0.46136905427071 32.065 > 15 58 S 0.56786216329029 0.39701066597599 0.46136905427071 32.065 > 15 59 S 0.06786216329029 0.89701066597599 0.46136905427071 32.065 > 15 60 S 0.56786216329029 0.89701066597599 0.46136905427071 32.065 > 15 61 S 0.43213783670971 0.14701066597599 0.03863094572929 32.065 > 16 62 S 0.93213783670971 0.14701066597599 0.03863094572929 32.065 > 16 63 S 0.43213783670971 0.64701066597599 0.03863094572929 32.065 > 16 64 S 0.93213783670971 0.64701066597599 0.03863094572929 32.065 > 16 *65 Ba 0.39665318242609 0.04781257903193 0.25182072271861 137.327 > 17 66 Ba 0.89665318242609 0.04781257903193 0.25182072271861 137.327 > 17 67 Ba 0.39665318242609 0.54781257903193 0.25182072271861 137.327 > 17 68 Ba 0.89665318242609 0.54781257903193 0.25182072271861 137.327 > 17 69 Ba 0.10334681757391 0.29781257903193 0.24817927728139 137.327 > 18 70 Ba 0.60334681757391 0.29781257903193 0.24817927728139 137.327 > 18 71 Ba 0.10334681757391 0.79781257903193 0.24817927728139 137.327 > 18 72 Ba 0.60334681757391 0.79781257903193 0.24817927728139 137.327 > 18 73 Ba 0.10334681757391 0.45218742096807 0.74817927728139 137.327 > 19 74 Ba 0.60334681757391 0.45218742096807 0.74817927728139 137.327 > 19 75 Ba 0.10334681757391 0.95218742096807 0.74817927728139 137.327 > 19 76 Ba 0.60334681757391 0.95218742096807 0.74817927728139 137.327 > 19 77 Ba 0.39665318242609 0.20218742096807 0.75182072271861 137.327 > 20 78 Ba 0.89665318242609 0.20218742096807 0.75182072271861 137.327 > 20 79 Ba 0.39665318242609 0.70218742096807 0.75182072271861 137.327 > 20 80 Ba 0.89665318242609 0.70218742096807 0.75182072271861 137.327 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2784511 0.0000000 -0.1623521 0.0000000 4.9779647 0.0000000 -0.1623564 0.0000000 5.2948843 -------------------------- Born effective charges -------------------------- 1 P 2.1331827 -0.2629439 -0.3283970 -0.3631378 1.6606812 -0.4731436 -0.3191223 -0.4135550 2.0007164 2 P 2.1331827 0.2629439 -0.3283970 0.3631378 1.6606812 0.4731436 -0.3191223 0.4135550 2.0007164 3 P 2.1331827 -0.2629439 -0.3283970 -0.3631378 1.6606812 -0.4731436 -0.3191223 -0.4135550 2.0007164 4 P 2.1331827 0.2629439 -0.3283970 0.3631378 1.6606812 0.4731436 -0.3191223 0.4135550 2.0007164 5 S -1.3942688 0.0668528 -0.0691863 0.0949981 -1.2194714 -0.2309930 -0.1156391 -0.4357705 -2.0375495 6 S -1.3942688 -0.0668528 -0.0691863 -0.0949981 -1.2194714 0.2309930 -0.1156391 0.4357705 -2.0375495 7 S -1.3942688 0.0668528 -0.0691863 0.0949981 -1.2194714 -0.2309930 -0.1156391 -0.4357705 -2.0375495 8 S -1.3942688 -0.0668528 -0.0691863 -0.0949981 -1.2194714 0.2309930 -0.1156391 0.4357705 -2.0375495 9 S -1.9313028 0.1212100 0.2656407 0.1997527 -1.1192938 -0.0608799 0.1659190 0.0205960 -1.5145101 10 S -1.9313028 -0.1212100 0.2656407 -0.1997527 -1.1192938 0.0608799 0.1659190 -0.0205960 -1.5145101 11 S -1.9313028 0.1212100 0.2656407 0.1997527 -1.1192938 -0.0608799 0.1659190 0.0205960 -1.5145101 12 S -1.9313028 -0.1212100 0.2656407 -0.1997527 -1.1192938 0.0608799 0.1659190 -0.0205960 -1.5145101 13 S -1.5431351 -0.4985506 0.2616688 -0.5366278 -1.7863413 0.0170914 0.2762906 0.0066470 -1.2383169 14 S -1.5431351 0.4985506 0.2616688 0.5366278 -1.7863413 -0.0170914 0.2762906 -0.0066470 -1.2383169 15 S -1.5431351 -0.4985506 0.2616688 -0.5366278 -1.7863413 0.0170914 0.2762906 0.0066470 -1.2383169 16 S -1.5431351 0.4985506 0.2616688 0.5366278 -1.7863413 -0.0170914 0.2762906 -0.0066470 -1.2383169 17 Ba 2.7355239 -0.1177948 -0.1297261 -0.1367315 2.4644252 0.2023107 -0.0074482 0.3243160 2.7896601 18 Ba 2.7355239 0.1177948 -0.1297261 0.1367315 2.4644252 -0.2023107 -0.0074482 -0.3243160 2.7896601 19 Ba 2.7355239 -0.1177948 -0.1297261 -0.1367315 2.4644252 0.2023107 -0.0074482 0.3243160 2.7896601 20 Ba 2.7355239 0.1177948 -0.1297261 0.1367315 2.4644252 -0.2023107 -0.0074482 -0.3243160 2.7896601 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.263 Solver_block: 200 / 640 - Time: 2.196 Solver_block: 300 / 640 - Time: 2.189 Solver_block: 400 / 640 - Time: 2.196 Solver_block: 500 / 640 - Time: 2.234 Solver_block: 600 / 640 - Time: 2.243 Solver_block: 640 / 640 - Time: 0.951 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.328 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:50:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:50:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.680938850013558 0.000000000000000 0.000000000000000 b 0.000000000000000 7.604269890000000 0.000000000000000 c -6.475496727596883 0.000000000000000 9.915974393921676 Atomic positions (fractional): 1 P 0.10879772418494 0.11431182339239 0.06176844206761 30.974 2 P 0.89120227581506 0.61431182339238 0.43823155793239 30.974 3 P 0.89120227581506 0.88568817660762 0.93823155793239 30.974 4 P 0.10879772418494 0.38568817660762 0.56176844206761 30.974 5 S 0.31579329445561 0.47620348794325 0.75301351611018 32.065 6 S 0.68420670554439 0.97620348794324 0.74698648388982 32.065 7 S 0.68420670554439 0.52379651205676 0.24698648388982 32.065 8 S 0.31579329445561 0.02379651205675 0.25301351611018 32.065 9 S 0.28602712151137 0.29975695453298 0.47765501189610 32.065 10 S 0.71397287848863 0.79975695453298 0.02234498810390 32.065 11 S 0.71397287848863 0.70024304546702 0.52234498810390 32.065 12 S 0.28602712151137 0.20024304546702 0.97765501189610 32.065 13 S 0.86427567341943 0.20597866804802 0.53863094572929 32.065 14 S 0.13572432658057 0.70597866804802 0.96136905427071 32.065 15 S 0.13572432658057 0.79402133195198 0.46136905427071 32.065 16 S 0.86427567341943 0.29402133195198 0.03863094572929 32.065 17 Ba 0.79330636485218 0.09562515806387 0.25182072271861 137.327 18 Ba 0.20669363514782 0.59562515806387 0.24817927728139 137.327 19 Ba 0.20669363514782 0.90437484193613 0.74817927728139 137.327 20 Ba 0.79330636485218 0.40437484193613 0.75182072271861 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.361877700027115 0.000000000000000 0.000000000000000 b 0.000000000000000 15.208539780000001 0.000000000000000 c -6.475496727596883 0.000000000000000 9.915974393921676 Atomic positions (fractional): 1 P 0.05439886209247 0.05715591169619 0.06176844206761 30.974 > 1 2 P 0.55439886209247 0.05715591169619 0.06176844206761 30.974 > 1 3 P 0.05439886209247 0.55715591169619 0.06176844206761 30.974 > 1 4 P 0.55439886209247 0.55715591169619 0.06176844206761 30.974 > 1 5 P 0.44560113790753 0.30715591169619 0.43823155793239 30.974 > 5 6 P 0.94560113790753 0.30715591169619 0.43823155793239 30.974 > 5 7 P 0.44560113790753 0.80715591169619 0.43823155793239 30.974 > 5 8 P 0.94560113790753 0.80715591169619 0.43823155793239 30.974 > 5 9 P 0.44560113790753 0.44284408830381 0.93823155793239 30.974 > 9 10 P 0.94560113790753 0.44284408830381 0.93823155793239 30.974 > 9 11 P 0.44560113790753 0.94284408830381 0.93823155793239 30.974 > 9 12 P 0.94560113790753 0.94284408830381 0.93823155793239 30.974 > 9 13 P 0.05439886209247 0.19284408830381 0.56176844206761 30.974 > 13 14 P 0.55439886209247 0.19284408830381 0.56176844206761 30.974 > 13 15 P 0.05439886209247 0.69284408830381 0.56176844206761 30.974 > 13 16 P 0.55439886209247 0.69284408830381 0.56176844206761 30.974 > 13 17 S 0.15789664722781 0.23810174397162 0.75301351611018 32.065 > 17 18 S 0.65789664722781 0.23810174397162 0.75301351611018 32.065 > 17 19 S 0.15789664722781 0.73810174397162 0.75301351611018 32.065 > 17 20 S 0.65789664722781 0.73810174397162 0.75301351611018 32.065 > 17 21 S 0.34210335277219 0.48810174397162 0.74698648388982 32.065 > 21 22 S 0.84210335277219 0.48810174397162 0.74698648388982 32.065 > 21 23 S 0.34210335277219 0.98810174397162 0.74698648388982 32.065 > 21 24 S 0.84210335277219 0.98810174397162 0.74698648388982 32.065 > 21 25 S 0.34210335277219 0.26189825602838 0.24698648388982 32.065 > 25 26 S 0.84210335277219 0.26189825602838 0.24698648388982 32.065 > 25 27 S 0.34210335277219 0.76189825602838 0.24698648388982 32.065 > 25 28 S 0.84210335277219 0.76189825602838 0.24698648388982 32.065 > 25 29 S 0.15789664722781 0.01189825602838 0.25301351611018 32.065 > 29 30 S 0.65789664722781 0.01189825602838 0.25301351611018 32.065 > 29 31 S 0.15789664722781 0.51189825602838 0.25301351611018 32.065 > 29 32 S 0.65789664722781 0.51189825602838 0.25301351611018 32.065 > 29 33 S 0.14301356075568 0.14987847726649 0.47765501189610 32.065 > 33 34 S 0.64301356075569 0.14987847726649 0.47765501189610 32.065 > 33 35 S 0.14301356075568 0.64987847726649 0.47765501189610 32.065 > 33 36 S 0.64301356075569 0.64987847726649 0.47765501189610 32.065 > 33 37 S 0.35698643924432 0.39987847726649 0.02234498810390 32.065 > 37 38 S 0.85698643924431 0.39987847726649 0.02234498810390 32.065 > 37 39 S 0.35698643924432 0.89987847726649 0.02234498810390 32.065 > 37 40 S 0.85698643924431 0.89987847726649 0.02234498810390 32.065 > 37 41 S 0.35698643924432 0.35012152273351 0.52234498810390 32.065 > 41 42 S 0.85698643924431 0.35012152273351 0.52234498810390 32.065 > 41 43 S 0.35698643924432 0.85012152273351 0.52234498810390 32.065 > 41 44 S 0.85698643924431 0.85012152273351 0.52234498810390 32.065 > 41 45 S 0.14301356075568 0.10012152273351 0.97765501189610 32.065 > 45 46 S 0.64301356075569 0.10012152273351 0.97765501189610 32.065 > 45 47 S 0.14301356075568 0.60012152273351 0.97765501189610 32.065 > 45 48 S 0.64301356075569 0.60012152273351 0.97765501189610 32.065 > 45 49 S 0.43213783670971 0.10298933402401 0.53863094572929 32.065 > 49 50 S 0.93213783670971 0.10298933402401 0.53863094572929 32.065 > 49 51 S 0.43213783670971 0.60298933402401 0.53863094572929 32.065 > 49 52 S 0.93213783670971 0.60298933402401 0.53863094572929 32.065 > 49 53 S 0.06786216329029 0.35298933402401 0.96136905427071 32.065 > 53 54 S 0.56786216329029 0.35298933402401 0.96136905427071 32.065 > 53 55 S 0.06786216329029 0.85298933402401 0.96136905427071 32.065 > 53 56 S 0.56786216329029 0.85298933402401 0.96136905427071 32.065 > 53 57 S 0.06786216329029 0.39701066597599 0.46136905427071 32.065 > 57 58 S 0.56786216329029 0.39701066597599 0.46136905427071 32.065 > 57 59 S 0.06786216329029 0.89701066597599 0.46136905427071 32.065 > 57 60 S 0.56786216329029 0.89701066597599 0.46136905427071 32.065 > 57 61 S 0.43213783670971 0.14701066597599 0.03863094572929 32.065 > 61 62 S 0.93213783670971 0.14701066597599 0.03863094572929 32.065 > 61 63 S 0.43213783670971 0.64701066597599 0.03863094572929 32.065 > 61 64 S 0.93213783670971 0.64701066597599 0.03863094572929 32.065 > 61 65 Ba 0.39665318242609 0.04781257903193 0.25182072271861 137.327 > 65 66 Ba 0.89665318242609 0.04781257903193 0.25182072271861 137.327 > 65 67 Ba 0.39665318242609 0.54781257903193 0.25182072271861 137.327 > 65 68 Ba 0.89665318242609 0.54781257903193 0.25182072271861 137.327 > 65 69 Ba 0.10334681757391 0.29781257903193 0.24817927728139 137.327 > 69 70 Ba 0.60334681757391 0.29781257903193 0.24817927728139 137.327 > 69 71 Ba 0.10334681757391 0.79781257903193 0.24817927728139 137.327 > 69 72 Ba 0.60334681757391 0.79781257903193 0.24817927728139 137.327 > 69 73 Ba 0.10334681757391 0.45218742096807 0.74817927728139 137.327 > 73 74 Ba 0.60334681757391 0.45218742096807 0.74817927728139 137.327 > 73 75 Ba 0.10334681757391 0.95218742096807 0.74817927728139 137.327 > 73 76 Ba 0.60334681757391 0.95218742096807 0.74817927728139 137.327 > 73 77 Ba 0.39665318242609 0.20218742096807 0.75182072271861 137.327 > 77 78 Ba 0.89665318242609 0.20218742096807 0.75182072271861 137.327 > 77 79 Ba 0.39665318242609 0.70218742096807 0.75182072271861 137.327 > 77 80 Ba 0.89665318242609 0.70218742096807 0.75182072271861 137.327 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2784511 0.0000000 -0.1623521 0.0000000 4.9779647 0.0000000 -0.1623564 0.0000000 5.2948843 -------------------------- Born effective charges -------------------------- 1 P 2.1331827 -0.2629439 -0.3283970 -0.3631378 1.6606812 -0.4731436 -0.3191223 -0.4135550 2.0007164 2 P 2.1331827 0.2629439 -0.3283970 0.3631378 1.6606812 0.4731436 -0.3191223 0.4135550 2.0007164 3 P 2.1331827 -0.2629439 -0.3283970 -0.3631378 1.6606812 -0.4731436 -0.3191223 -0.4135550 2.0007164 4 P 2.1331827 0.2629439 -0.3283970 0.3631378 1.6606812 0.4731436 -0.3191223 0.4135550 2.0007164 5 S -1.3942688 0.0668528 -0.0691863 0.0949981 -1.2194714 -0.2309930 -0.1156391 -0.4357705 -2.0375495 6 S -1.3942688 -0.0668528 -0.0691863 -0.0949981 -1.2194714 0.2309930 -0.1156391 0.4357705 -2.0375495 7 S -1.3942688 0.0668528 -0.0691863 0.0949981 -1.2194714 -0.2309930 -0.1156391 -0.4357705 -2.0375495 8 S -1.3942688 -0.0668528 -0.0691863 -0.0949981 -1.2194714 0.2309930 -0.1156391 0.4357705 -2.0375495 9 S -1.9313028 0.1212100 0.2656407 0.1997527 -1.1192938 -0.0608799 0.1659190 0.0205960 -1.5145101 10 S -1.9313028 -0.1212100 0.2656407 -0.1997527 -1.1192938 0.0608799 0.1659190 -0.0205960 -1.5145101 11 S -1.9313028 0.1212100 0.2656407 0.1997527 -1.1192938 -0.0608799 0.1659190 0.0205960 -1.5145101 12 S -1.9313028 -0.1212100 0.2656407 -0.1997527 -1.1192938 0.0608799 0.1659190 -0.0205960 -1.5145101 13 S -1.5431351 -0.4985506 0.2616688 -0.5366278 -1.7863413 0.0170914 0.2762906 0.0066470 -1.2383169 14 S -1.5431351 0.4985506 0.2616688 0.5366278 -1.7863413 -0.0170914 0.2762906 -0.0066470 -1.2383169 15 S -1.5431351 -0.4985506 0.2616688 -0.5366278 -1.7863413 0.0170914 0.2762906 0.0066470 -1.2383169 16 S -1.5431351 0.4985506 0.2616688 0.5366278 -1.7863413 -0.0170914 0.2762906 -0.0066470 -1.2383169 17 Ba 2.7355239 -0.1177948 -0.1297261 -0.1367315 2.4644252 0.2023107 -0.0074482 0.3243160 2.7896601 18 Ba 2.7355239 0.1177948 -0.1297261 0.1367315 2.4644252 -0.2023107 -0.0074482 -0.3243160 2.7896601 19 Ba 2.7355239 -0.1177948 -0.1297261 -0.1367315 2.4644252 0.2023107 -0.0074482 0.3243160 2.7896601 20 Ba 2.7355239 0.1177948 -0.1297261 0.1367315 2.4644252 -0.2023107 -0.0074482 -0.3243160 2.7896601 ---------------------------------------------------------------------------- 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:50:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:50:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.680938850013558 0.000000000000000 0.000000000000000 b 0.000000000000000 7.604269890000000 0.000000000000000 c -6.475496727596883 0.000000000000000 9.915974393921676 Atomic positions (fractional): 1 P 0.10879772418494 0.11431182339239 0.06176844206761 30.974 2 P 0.89120227581506 0.61431182339238 0.43823155793239 30.974 3 P 0.89120227581506 0.88568817660762 0.93823155793239 30.974 4 P 0.10879772418494 0.38568817660762 0.56176844206761 30.974 5 S 0.31579329445561 0.47620348794325 0.75301351611018 32.065 6 S 0.68420670554439 0.97620348794324 0.74698648388982 32.065 7 S 0.68420670554439 0.52379651205676 0.24698648388982 32.065 8 S 0.31579329445561 0.02379651205675 0.25301351611018 32.065 9 S 0.28602712151137 0.29975695453298 0.47765501189610 32.065 10 S 0.71397287848863 0.79975695453298 0.02234498810390 32.065 11 S 0.71397287848863 0.70024304546702 0.52234498810390 32.065 12 S 0.28602712151137 0.20024304546702 0.97765501189610 32.065 13 S 0.86427567341943 0.20597866804802 0.53863094572929 32.065 14 S 0.13572432658057 0.70597866804802 0.96136905427071 32.065 15 S 0.13572432658057 0.79402133195198 0.46136905427071 32.065 16 S 0.86427567341943 0.29402133195198 0.03863094572929 32.065 17 Ba 0.79330636485218 0.09562515806387 0.25182072271861 137.327 18 Ba 0.20669363514782 0.59562515806387 0.24817927728139 137.327 19 Ba 0.20669363514782 0.90437484193613 0.74817927728139 137.327 20 Ba 0.79330636485218 0.40437484193613 0.75182072271861 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.361877700027115 0.000000000000000 0.000000000000000 b 0.000000000000000 15.208539780000001 0.000000000000000 c -6.475496727596883 0.000000000000000 9.915974393921676 Atomic positions (fractional): 1 P 0.05439886209247 0.05715591169619 0.06176844206761 30.974 > 1 2 P 0.55439886209247 0.05715591169619 0.06176844206761 30.974 > 1 3 P 0.05439886209247 0.55715591169619 0.06176844206761 30.974 > 1 4 P 0.55439886209247 0.55715591169619 0.06176844206761 30.974 > 1 5 P 0.44560113790753 0.30715591169619 0.43823155793239 30.974 > 5 6 P 0.94560113790753 0.30715591169619 0.43823155793239 30.974 > 5 7 P 0.44560113790753 0.80715591169619 0.43823155793239 30.974 > 5 8 P 0.94560113790753 0.80715591169619 0.43823155793239 30.974 > 5 9 P 0.44560113790753 0.44284408830381 0.93823155793239 30.974 > 9 10 P 0.94560113790753 0.44284408830381 0.93823155793239 30.974 > 9 11 P 0.44560113790753 0.94284408830381 0.93823155793239 30.974 > 9 12 P 0.94560113790753 0.94284408830381 0.93823155793239 30.974 > 9 13 P 0.05439886209247 0.19284408830381 0.56176844206761 30.974 > 13 14 P 0.55439886209247 0.19284408830381 0.56176844206761 30.974 > 13 15 P 0.05439886209247 0.69284408830381 0.56176844206761 30.974 > 13 16 P 0.55439886209247 0.69284408830381 0.56176844206761 30.974 > 13 17 S 0.15789664722781 0.23810174397162 0.75301351611018 32.065 > 17 18 S 0.65789664722781 0.23810174397162 0.75301351611018 32.065 > 17 19 S 0.15789664722781 0.73810174397162 0.75301351611018 32.065 > 17 20 S 0.65789664722781 0.73810174397162 0.75301351611018 32.065 > 17 21 S 0.34210335277219 0.48810174397162 0.74698648388982 32.065 > 21 22 S 0.84210335277219 0.48810174397162 0.74698648388982 32.065 > 21 23 S 0.34210335277219 0.98810174397162 0.74698648388982 32.065 > 21 24 S 0.84210335277219 0.98810174397162 0.74698648388982 32.065 > 21 25 S 0.34210335277219 0.26189825602838 0.24698648388982 32.065 > 25 26 S 0.84210335277219 0.26189825602838 0.24698648388982 32.065 > 25 27 S 0.34210335277219 0.76189825602838 0.24698648388982 32.065 > 25 28 S 0.84210335277219 0.76189825602838 0.24698648388982 32.065 > 25 29 S 0.15789664722781 0.01189825602838 0.25301351611018 32.065 > 29 30 S 0.65789664722781 0.01189825602838 0.25301351611018 32.065 > 29 31 S 0.15789664722781 0.51189825602838 0.25301351611018 32.065 > 29 32 S 0.65789664722781 0.51189825602838 0.25301351611018 32.065 > 29 33 S 0.14301356075568 0.14987847726649 0.47765501189610 32.065 > 33 34 S 0.64301356075569 0.14987847726649 0.47765501189610 32.065 > 33 35 S 0.14301356075568 0.64987847726649 0.47765501189610 32.065 > 33 36 S 0.64301356075569 0.64987847726649 0.47765501189610 32.065 > 33 37 S 0.35698643924432 0.39987847726649 0.02234498810390 32.065 > 37 38 S 0.85698643924431 0.39987847726649 0.02234498810390 32.065 > 37 39 S 0.35698643924432 0.89987847726649 0.02234498810390 32.065 > 37 40 S 0.85698643924431 0.89987847726649 0.02234498810390 32.065 > 37 41 S 0.35698643924432 0.35012152273351 0.52234498810390 32.065 > 41 42 S 0.85698643924431 0.35012152273351 0.52234498810390 32.065 > 41 43 S 0.35698643924432 0.85012152273351 0.52234498810390 32.065 > 41 44 S 0.85698643924431 0.85012152273351 0.52234498810390 32.065 > 41 45 S 0.14301356075568 0.10012152273351 0.97765501189610 32.065 > 45 46 S 0.64301356075569 0.10012152273351 0.97765501189610 32.065 > 45 47 S 0.14301356075568 0.60012152273351 0.97765501189610 32.065 > 45 48 S 0.64301356075569 0.60012152273351 0.97765501189610 32.065 > 45 49 S 0.43213783670971 0.10298933402401 0.53863094572929 32.065 > 49 50 S 0.93213783670971 0.10298933402401 0.53863094572929 32.065 > 49 51 S 0.43213783670971 0.60298933402401 0.53863094572929 32.065 > 49 52 S 0.93213783670971 0.60298933402401 0.53863094572929 32.065 > 49 53 S 0.06786216329029 0.35298933402401 0.96136905427071 32.065 > 53 54 S 0.56786216329029 0.35298933402401 0.96136905427071 32.065 > 53 55 S 0.06786216329029 0.85298933402401 0.96136905427071 32.065 > 53 56 S 0.56786216329029 0.85298933402401 0.96136905427071 32.065 > 53 57 S 0.06786216329029 0.39701066597599 0.46136905427071 32.065 > 57 58 S 0.56786216329029 0.39701066597599 0.46136905427071 32.065 > 57 59 S 0.06786216329029 0.89701066597599 0.46136905427071 32.065 > 57 60 S 0.56786216329029 0.89701066597599 0.46136905427071 32.065 > 57 61 S 0.43213783670971 0.14701066597599 0.03863094572929 32.065 > 61 62 S 0.93213783670971 0.14701066597599 0.03863094572929 32.065 > 61 63 S 0.43213783670971 0.64701066597599 0.03863094572929 32.065 > 61 64 S 0.93213783670971 0.64701066597599 0.03863094572929 32.065 > 61 65 Ba 0.39665318242609 0.04781257903193 0.25182072271861 137.327 > 65 66 Ba 0.89665318242609 0.04781257903193 0.25182072271861 137.327 > 65 67 Ba 0.39665318242609 0.54781257903193 0.25182072271861 137.327 > 65 68 Ba 0.89665318242609 0.54781257903193 0.25182072271861 137.327 > 65 69 Ba 0.10334681757391 0.29781257903193 0.24817927728139 137.327 > 69 70 Ba 0.60334681757391 0.29781257903193 0.24817927728139 137.327 > 69 71 Ba 0.10334681757391 0.79781257903193 0.24817927728139 137.327 > 69 72 Ba 0.60334681757391 0.79781257903193 0.24817927728139 137.327 > 69 73 Ba 0.10334681757391 0.45218742096807 0.74817927728139 137.327 > 73 74 Ba 0.60334681757391 0.45218742096807 0.74817927728139 137.327 > 73 75 Ba 0.10334681757391 0.95218742096807 0.74817927728139 137.327 > 73 76 Ba 0.60334681757391 0.95218742096807 0.74817927728139 137.327 > 73 77 Ba 0.39665318242609 0.20218742096807 0.75182072271861 137.327 > 77 78 Ba 0.89665318242609 0.20218742096807 0.75182072271861 137.327 > 77 79 Ba 0.39665318242609 0.70218742096807 0.75182072271861 137.327 > 77 80 Ba 0.89665318242609 0.70218742096807 0.75182072271861 137.327 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2784511 0.0000000 -0.1623521 0.0000000 4.9779647 0.0000000 -0.1623564 0.0000000 5.2948843 -------------------------- Born effective charges -------------------------- 1 P 2.1331827 -0.2629439 -0.3283970 -0.3631378 1.6606812 -0.4731436 -0.3191223 -0.4135550 2.0007164 2 P 2.1331827 0.2629439 -0.3283970 0.3631378 1.6606812 0.4731436 -0.3191223 0.4135550 2.0007164 3 P 2.1331827 -0.2629439 -0.3283970 -0.3631378 1.6606812 -0.4731436 -0.3191223 -0.4135550 2.0007164 4 P 2.1331827 0.2629439 -0.3283970 0.3631378 1.6606812 0.4731436 -0.3191223 0.4135550 2.0007164 5 S -1.3942688 0.0668528 -0.0691863 0.0949981 -1.2194714 -0.2309930 -0.1156391 -0.4357705 -2.0375495 6 S -1.3942688 -0.0668528 -0.0691863 -0.0949981 -1.2194714 0.2309930 -0.1156391 0.4357705 -2.0375495 7 S -1.3942688 0.0668528 -0.0691863 0.0949981 -1.2194714 -0.2309930 -0.1156391 -0.4357705 -2.0375495 8 S -1.3942688 -0.0668528 -0.0691863 -0.0949981 -1.2194714 0.2309930 -0.1156391 0.4357705 -2.0375495 9 S -1.9313028 0.1212100 0.2656407 0.1997527 -1.1192938 -0.0608799 0.1659190 0.0205960 -1.5145101 10 S -1.9313028 -0.1212100 0.2656407 -0.1997527 -1.1192938 0.0608799 0.1659190 -0.0205960 -1.5145101 11 S -1.9313028 0.1212100 0.2656407 0.1997527 -1.1192938 -0.0608799 0.1659190 0.0205960 -1.5145101 12 S -1.9313028 -0.1212100 0.2656407 -0.1997527 -1.1192938 0.0608799 0.1659190 -0.0205960 -1.5145101 13 S -1.5431351 -0.4985506 0.2616688 -0.5366278 -1.7863413 0.0170914 0.2762906 0.0066470 -1.2383169 14 S -1.5431351 0.4985506 0.2616688 0.5366278 -1.7863413 -0.0170914 0.2762906 -0.0066470 -1.2383169 15 S -1.5431351 -0.4985506 0.2616688 -0.5366278 -1.7863413 0.0170914 0.2762906 0.0066470 -1.2383169 16 S -1.5431351 0.4985506 0.2616688 0.5366278 -1.7863413 -0.0170914 0.2762906 -0.0066470 -1.2383169 17 Ba 2.7355239 -0.1177948 -0.1297261 -0.1367315 2.4644252 0.2023107 -0.0074482 0.3243160 2.7896601 18 Ba 2.7355239 0.1177948 -0.1297261 0.1367315 2.4644252 -0.2023107 -0.0074482 -0.3243160 2.7896601 19 Ba 2.7355239 -0.1177948 -0.1297261 -0.1367315 2.4644252 0.2023107 -0.0074482 0.3243160 2.7896601 20 Ba 2.7355239 0.1177948 -0.1297261 0.1367315 2.4644252 -0.2023107 -0.0074482 -0.3243160 2.7896601 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 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 1.522 ( 0.000 0.000 0.000) 0.000 1.816 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.271 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 5.461 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 5.844 ( 0.000 0.000 0.000) 0.000 5.853 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 6.704 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.400 ( 0.000 0.000 0.000) 0.000 7.849 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 8.095 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 11.154 ( 0.000 0.000 0.000) 0.000 11.162 ( 0.000 0.000 0.000) 0.000 12.965 ( 0.000 0.000 0.000) 0.000 12.974 ( 0.000 0.000 0.000) 0.000 16.422 ( 0.000 0.000 0.000) 0.000 16.446 ( 0.000 0.000 0.000) 0.000 16.906 ( 0.000 0.000 0.000) 0.000 17.044 ( 0.000 0.000 0.000) 0.000 17.134 ( 0.000 0.000 0.000) 0.000 17.244 ( 0.000 0.000 0.000) 0.000 17.286 ( 0.000 0.000 0.000) 0.000 17.701 ( 0.000 0.000 0.000) 0.000 17.781 ( 0.000 0.000 0.000) 0.000 17.796 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( 10.896 0.000 11.170) 15.604 0.398 ( 20.139 0.000 5.323) 20.830 0.782 ( 29.074 0.000 24.358) 37.929 1.519 ( 1.109 0.000 -1.893) 2.194 1.758 ( -1.036 0.000 -8.168) 8.234 1.987 ( 3.391 0.000 -5.831) 6.745 1.995 ( -1.661 0.000 -1.249) 2.078 2.131 ( -1.177 0.000 0.041) 1.178 2.155 ( 5.205 0.000 -3.051) 6.034 2.236 ( -1.444 0.000 6.925) 7.074 2.313 ( -0.720 0.000 5.975) 6.018 2.734 ( 0.087 0.000 -5.500) 5.501 2.871 ( 0.294 0.000 -3.657) 3.669 2.892 ( -1.415 0.000 0.563) 1.522 2.920 ( -0.647 0.000 2.488) 2.571 3.083 ( 1.701 0.000 -3.714) 4.085 3.225 ( -2.197 0.000 0.685) 2.301 3.233 ( 9.250 0.000 -13.227) 16.140 3.474 ( -1.259 0.000 -2.626) 2.912 3.670 ( 0.150 0.000 3.870) 3.873 3.687 ( -3.942 0.000 -1.728) 4.304 3.818 ( -15.285 0.000 20.970) 25.949 3.993 ( 1.011 0.000 -0.026) 1.011 4.069 ( 3.273 0.000 -7.161) 7.873 4.173 ( 1.490 0.000 -1.376) 2.028 4.181 ( 8.390 0.000 -5.870) 10.240 4.622 ( 1.164 0.000 0.916) 1.481 4.736 ( 0.033 0.000 0.463) 0.464 4.776 ( 1.479 0.000 -0.388) 1.529 4.833 ( 0.703 0.000 1.047) 1.261 5.487 ( 1.363 0.000 2.243) 2.625 5.613 ( 1.350 0.000 -0.437) 1.419 5.662 ( 1.912 0.000 0.069) 1.913 5.794 ( 0.312 0.000 0.004) 0.312 5.841 ( -0.722 0.000 -0.517) 0.888 5.852 ( 0.543 0.000 0.501) 0.739 6.702 ( 2.232 0.000 0.272) 2.249 6.865 ( 3.743 0.000 -6.221) 7.260 7.289 ( -2.794 0.000 3.204) 4.251 7.332 ( -2.810 0.000 -0.197) 2.817 7.371 ( 2.495 0.000 0.749) 2.605 7.447 ( 2.846 0.000 -0.152) 2.850 7.844 ( -1.048 0.000 0.601) 1.208 7.939 ( -2.161 0.000 -0.532) 2.226 8.174 ( -1.435 0.000 -1.638) 2.177 8.194 ( -2.222 0.000 5.697) 6.114 11.148 ( -0.814 0.000 0.217) 0.842 11.164 ( -0.382 0.000 0.901) 0.978 12.962 ( -0.388 0.000 0.023) 0.388 13.025 ( -3.465 0.000 3.198) 4.716 16.424 ( 0.358 0.000 -0.289) 0.460 16.458 ( 0.944 0.000 0.495) 1.066 16.926 ( 1.796 0.000 0.778) 1.958 17.029 ( 0.178 0.000 -1.698) 1.708 17.169 ( 2.089 0.000 1.229) 2.424 17.279 ( -1.513 0.000 1.235) 1.953 17.497 ( 15.080 0.000 -24.579) 28.837 17.696 ( -2.246 0.000 -6.027) 6.432 17.863 ( -0.409 0.000 7.187) 7.199 17.894 ( -9.584 0.000 13.319) 16.409 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 10.375 0.000 9.850) 14.306 0.780 ( 18.766 0.000 5.152) 19.460 1.452 ( 21.186 0.000 18.207) 27.934 1.528 ( 2.578 0.000 -0.605) 2.649 1.618 ( -1.233 0.000 -13.803) 13.858 1.929 ( -2.057 0.000 -2.962) 3.606 1.983 ( 4.047 0.000 -6.307) 7.494 2.114 ( -1.147 0.000 1.413) 1.820 2.244 ( 2.309 0.000 4.501) 5.059 2.300 ( -0.732 0.000 7.650) 7.685 2.355 ( 1.663 0.000 0.967) 1.923 2.659 ( -1.373 0.000 -4.789) 4.982 2.815 ( -1.904 0.000 -4.712) 5.083 2.886 ( -0.359 0.000 1.361) 1.408 2.936 ( -0.144 0.000 1.958) 1.963 3.068 ( 1.912 0.000 -4.183) 4.600 3.207 ( -0.234 0.000 0.113) 0.259 3.231 ( 3.327 0.000 -6.774) 7.547 3.447 ( 0.837 0.000 -1.526) 1.740 3.600 ( -2.722 0.000 -3.652) 4.555 3.682 ( -3.722 0.000 3.746) 5.280 3.758 ( -9.160 0.000 5.697) 10.787 4.029 ( 3.721 0.000 -0.512) 3.756 4.062 ( 2.499 0.000 -3.124) 4.001 4.195 ( 2.179 0.000 -0.145) 2.183 4.247 ( 3.801 0.000 -0.895) 3.905 4.634 ( -0.227 0.000 -0.563) 0.607 4.719 ( -0.658 0.000 -2.192) 2.289 4.814 ( 3.035 0.000 -0.129) 3.037 4.897 ( 4.233 0.000 2.497) 4.914 5.543 ( 1.610 0.000 3.019) 3.422 5.625 ( 0.597 0.000 -0.767) 0.972 5.701 ( 2.471 0.000 0.049) 2.471 5.796 ( -0.293 0.000 -0.041) 0.296 5.839 ( 1.280 0.000 0.052) 1.282 5.873 ( 1.034 0.000 0.975) 1.421 6.746 ( 2.773 0.000 -0.377) 2.799 6.858 ( 1.889 0.000 -3.550) 4.021 7.275 ( -1.833 0.000 1.378) 2.293 7.300 ( -1.225 0.000 0.782) 1.453 7.436 ( 3.640 0.000 1.203) 3.833 7.478 ( 1.416 0.000 -1.027) 1.749 7.827 ( -1.907 0.000 0.856) 2.091 7.886 ( -2.834 0.000 -0.862) 2.962 8.120 ( -1.936 0.000 -2.596) 3.238 8.227 ( 0.097 0.000 3.517) 3.519 11.133 ( -1.269 0.000 0.375) 1.323 11.169 ( -0.580 0.000 1.432) 1.545 12.954 ( -0.627 0.000 0.039) 0.628 12.995 ( -2.482 0.000 0.494) 2.531 16.427 ( 0.499 0.000 -0.485) 0.696 16.481 ( 1.001 0.000 0.553) 1.144 16.978 ( 3.067 0.000 1.107) 3.260 17.024 ( 1.666 0.000 -1.986) 2.593 17.196 ( -0.359 0.000 0.275) 0.452 17.265 ( -2.256 0.000 2.183) 3.139 17.476 ( 6.629 0.000 -12.420) 14.078 17.591 ( -2.956 0.000 -4.860) 5.688 17.875 ( -5.294 0.000 5.949) 7.963 17.945 ( 0.707 0.000 7.805) 7.837 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 8.130 0.000 7.129) 10.812 1.123 ( 15.751 0.000 4.361) 16.343 1.430 ( -2.114 0.000 -14.464) 14.617 1.558 ( 2.616 0.000 -0.177) 2.621 1.820 ( 4.234 0.000 5.707) 7.107 1.888 ( -0.204 0.000 -0.889) 0.912 1.982 ( 2.339 0.000 -3.878) 4.528 2.159 ( 1.737 0.000 5.126) 5.412 2.284 ( -4.638 0.000 6.986) 8.385 2.376 ( 2.297 0.000 5.245) 5.726 2.411 ( 5.759 0.000 -3.123) 6.551 2.621 ( 0.799 0.000 -0.559) 0.975 2.711 ( -4.007 0.000 -3.924) 5.608 2.920 ( 2.264 0.000 2.851) 3.641 2.953 ( 0.033 0.000 1.135) 1.136 3.068 ( 2.674 0.000 -2.785) 3.861 3.199 ( 0.513 0.000 -4.350) 4.380 3.205 ( 1.248 0.000 -2.858) 3.119 3.466 ( 2.610 0.000 -0.527) 2.663 3.520 ( -2.739 0.000 -2.732) 3.868 3.646 ( -5.436 0.000 4.432) 7.014 3.646 ( -6.204 0.000 -2.113) 6.554 4.082 ( 2.861 0.000 -1.673) 3.314 4.098 ( 4.904 0.000 -0.520) 4.932 4.235 ( 1.346 0.000 1.430) 1.964 4.286 ( 0.815 0.000 1.012) 1.299 4.609 ( -0.855 0.000 -1.903) 2.086 4.682 ( -0.707 0.000 -2.014) 2.134 4.860 ( 2.357 0.000 -0.114) 2.360 5.000 ( 4.526 0.000 1.908) 4.911 5.595 ( 0.975 0.000 2.293) 2.492 5.614 ( -0.609 0.000 -0.860) 1.053 5.737 ( 1.664 0.000 0.014) 1.664 5.790 ( -0.283 0.000 0.132) 0.312 5.875 ( 2.167 0.000 0.447) 2.212 5.904 ( 1.202 0.000 1.090) 1.623 6.779 ( 1.948 0.000 -0.879) 2.138 6.852 ( 1.254 0.000 -2.429) 2.734 7.261 ( -1.166 0.000 0.801) 1.415 7.308 ( 0.340 0.000 1.814) 1.845 7.469 ( -0.370 0.000 -2.134) 2.166 7.507 ( 3.069 0.000 1.038) 3.240 7.801 ( -1.989 0.000 0.698) 2.108 7.840 ( -1.484 0.000 -0.494) 1.564 8.063 ( -1.485 0.000 -2.308) 2.744 8.267 ( 0.690 0.000 2.274) 2.377 11.116 ( -1.173 0.000 0.354) 1.226 11.175 ( -0.500 0.000 1.318) 1.409 12.944 ( -0.593 0.000 0.026) 0.594 12.959 ( -1.766 0.000 -0.295) 1.790 16.429 ( 0.400 0.000 -0.472) 0.619 16.499 ( 0.534 0.000 0.334) 0.630 17.037 ( 2.453 0.000 -2.235) 3.318 17.039 ( 2.679 0.000 0.666) 2.761 17.164 ( -3.151 0.000 -0.094) 3.153 17.257 ( -1.654 0.000 2.380) 2.899 17.452 ( 3.261 0.000 -6.996) 7.718 17.503 ( -2.185 0.000 -2.985) 3.699 17.851 ( -3.237 0.000 2.948) 4.378 18.047 ( 1.635 0.000 6.526) 6.728 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 3.224 0.000 2.648) 4.172 1.276 ( -1.339 0.000 -6.475) 6.612 1.368 ( 8.010 0.000 1.907) 8.234 1.591 ( 0.450 0.000 0.623) 0.768 1.840 ( -1.179 0.000 -0.310) 1.219 1.892 ( 0.503 0.000 0.171) 0.531 1.977 ( 0.423 0.000 -1.022) 1.106 2.189 ( -1.248 0.000 0.950) 1.569 2.272 ( -2.200 0.000 2.390) 3.249 2.438 ( 0.873 0.000 -1.910) 2.100 2.476 ( 2.249 0.000 2.534) 3.388 2.642 ( -0.844 0.000 -0.611) 1.042 2.649 ( 1.289 0.000 0.525) 1.392 2.961 ( 0.100 0.000 0.159) 0.188 3.022 ( 3.699 0.000 4.039) 5.477 3.086 ( 1.530 0.000 -0.964) 1.808 3.165 ( -0.594 0.000 -1.647) 1.751 3.186 ( 0.249 0.000 -2.193) 2.207 3.448 ( -2.596 0.000 -1.815) 3.167 3.511 ( 2.807 0.000 -0.470) 2.846 3.539 ( -2.042 0.000 -2.719) 3.401 3.605 ( -3.885 0.000 2.761) 4.766 4.109 ( 1.446 0.000 -0.593) 1.563 4.165 ( 2.905 0.000 -0.189) 2.911 4.259 ( -0.232 0.000 1.116) 1.140 4.300 ( -0.145 0.000 0.741) 0.755 4.577 ( -0.472 0.000 -1.238) 1.325 4.658 ( -0.268 0.000 -0.811) 0.854 4.886 ( 0.848 0.000 -0.050) 0.850 5.071 ( 1.865 0.000 0.692) 1.989 5.596 ( -0.447 0.000 -0.406) 0.604 5.622 ( 0.263 0.000 0.797) 0.840 5.756 ( 0.533 0.000 0.023) 0.534 5.789 ( -0.074 0.000 0.102) 0.126 5.907 ( 0.940 0.000 0.222) 0.966 5.929 ( 0.552 0.000 0.487) 0.736 6.793 ( 0.678 0.000 -0.424) 0.800 6.848 ( 0.484 0.000 -0.927) 1.046 7.254 ( -0.396 0.000 0.304) 0.500 7.341 ( 0.731 0.000 1.705) 1.855 7.430 ( -0.865 0.000 -1.984) 2.164 7.551 ( 1.180 0.000 0.390) 1.243 7.782 ( -0.867 0.000 0.268) 0.908 7.826 ( -0.192 0.000 0.008) 0.192 8.027 ( -0.573 0.000 -0.942) 1.103 8.293 ( 0.345 0.000 0.805) 0.876 11.104 ( -0.485 0.000 0.142) 0.506 11.180 ( -0.193 0.000 0.537) 0.571 12.935 ( -0.657 0.000 -0.206) 0.688 12.936 ( -0.247 0.000 0.004) 0.247 16.430 ( 0.152 0.000 -0.198) 0.250 16.507 ( 0.142 0.000 0.103) 0.175 17.056 ( 2.346 0.000 -1.716) 2.906 17.073 ( 0.887 0.000 0.134) 0.897 17.110 ( -3.010 0.000 0.607) 3.071 17.260 ( -0.408 0.000 1.101) 1.174 17.436 ( 0.998 0.000 -2.331) 2.536 17.457 ( -0.732 0.000 -0.954) 1.202 17.835 ( -1.135 0.000 0.905) 1.452 18.121 ( 0.780 0.000 2.560) 2.676 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 0.000 15.187 0.000) 15.187 0.472 ( 0.000 24.442 0.000) 24.442 0.493 ( 0.000 24.344 0.000) 24.344 1.520 ( 0.000 -0.211 0.000) 0.211 1.824 ( 0.000 0.573 0.000) 0.573 1.895 ( 0.000 -8.042 0.000) 8.042 1.996 ( 0.000 -1.100 0.000) 1.100 2.059 ( 0.000 -6.752 0.000) 6.752 2.118 ( 0.000 -1.920 0.000) 1.920 2.254 ( 0.000 1.758 0.000) 1.758 2.325 ( 0.000 3.475 0.000) 3.475 2.651 ( 0.000 -5.783 0.000) 5.783 2.910 ( 0.000 0.660 0.000) 0.660 2.916 ( 0.000 0.816 0.000) 0.816 2.968 ( 0.000 1.606 0.000) 1.606 3.043 ( 0.000 -1.365 0.000) 1.365 3.235 ( 0.000 -1.184 0.000) 1.184 3.432 ( 0.000 1.040 0.000) 1.040 3.438 ( 0.000 -3.891 0.000) 3.891 3.543 ( 0.000 2.388 0.000) 2.388 3.720 ( 0.000 -2.108 0.000) 2.108 3.767 ( 0.000 -0.609 0.000) 0.609 4.016 ( 0.000 2.251 0.000) 2.251 4.054 ( 0.000 -0.835 0.000) 0.835 4.088 ( 0.000 -2.276 0.000) 2.276 4.170 ( 0.000 -0.073 0.000) 0.073 4.641 ( 0.000 2.039 0.000) 2.039 4.731 ( 0.000 1.373 0.000) 1.373 4.796 ( 0.000 -0.590 0.000) 0.590 4.831 ( 0.000 0.243 0.000) 0.243 5.489 ( 0.000 2.652 0.000) 2.652 5.606 ( 0.000 0.344 0.000) 0.344 5.645 ( 0.000 0.132 0.000) 0.132 5.786 ( 0.000 -0.487 0.000) 0.487 5.828 ( 0.000 -2.416 0.000) 2.416 5.844 ( 0.000 -0.059 0.000) 0.059 6.684 ( 0.000 0.146 0.000) 0.146 6.703 ( 0.000 -0.097 0.000) 0.097 7.298 ( 0.000 1.012 0.000) 1.012 7.330 ( 0.000 -1.174 0.000) 1.174 7.378 ( 0.000 -0.301 0.000) 0.301 7.437 ( 0.000 0.771 0.000) 0.771 7.849 ( 0.000 0.041 0.000) 0.041 7.942 ( 0.000 -1.720 0.000) 1.720 8.123 ( 0.000 2.611 0.000) 2.611 8.430 ( 0.000 -1.825 0.000) 1.825 11.157 ( 0.000 0.308 0.000) 0.308 11.166 ( 0.000 0.324 0.000) 0.324 12.981 ( 0.000 0.747 0.000) 0.747 13.096 ( 0.000 -0.868 0.000) 0.868 16.419 ( 0.000 -0.303 0.000) 0.303 16.442 ( 0.000 -0.424 0.000) 0.424 16.922 ( 0.000 1.665 0.000) 1.665 17.050 ( 0.000 0.633 0.000) 0.633 17.238 ( 0.000 -0.639 0.000) 0.639 17.249 ( 0.000 -0.383 0.000) 0.383 17.305 ( 0.000 1.952 0.000) 1.952 17.674 ( 0.000 -2.641 0.000) 2.641 17.797 ( 0.000 1.555 0.000) 1.555 17.977 ( 0.000 -0.863 0.000) 0.863 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 9.373 11.555 6.994) 16.441 0.612 ( 13.472 18.348 2.058) 22.856 0.895 ( 22.779 10.455 20.491) 32.374 1.517 ( 1.380 -0.060 -2.232) 2.625 1.766 ( -0.947 0.677 -7.901) 7.987 1.902 ( 0.851 -6.568 -0.691) 6.658 1.971 ( -2.184 -3.155 -0.950) 3.954 2.095 ( 1.728 -3.299 -1.695) 4.092 2.131 ( 5.784 -2.059 -1.288) 6.273 2.273 ( -1.033 1.044 5.395) 5.591 2.326 ( -2.123 1.278 3.001) 3.892 2.636 ( -0.627 -6.097 -2.047) 6.462 2.863 ( -2.130 0.449 -1.708) 2.766 2.926 ( -1.705 2.327 0.942) 3.035 2.967 ( 1.179 1.862 -0.445) 2.248 3.074 ( 2.000 -0.991 -1.643) 2.772 3.158 ( 2.005 -2.584 -8.397) 9.011 3.343 ( -1.357 5.064 -1.671) 5.503 3.498 ( -0.881 2.177 -3.636) 4.328 3.561 ( -0.784 -7.403 5.927) 9.516 3.684 ( -2.345 -1.268 -2.102) 3.395 3.801 ( -4.849 -1.247 9.698) 10.914 4.009 ( 0.552 0.182 -1.451) 1.563 4.057 ( 0.804 0.191 -0.748) 1.115 4.149 ( 5.333 -2.179 -2.096) 6.131 4.182 ( 3.828 0.247 -2.336) 4.492 4.651 ( 0.770 2.274 0.142) 2.405 4.748 ( 1.388 1.598 -0.363) 2.148 4.792 ( 0.965 0.727 -0.430) 1.283 4.834 ( 0.499 0.039 1.068) 1.179 5.510 ( 1.186 2.148 1.941) 3.128 5.623 ( 1.302 0.143 0.151) 1.318 5.659 ( 1.190 0.077 0.339) 1.239 5.789 ( 0.423 -0.276 -0.159) 0.530 5.815 ( -1.117 -2.473 -0.103) 2.715 5.837 ( 0.977 -0.596 -0.693) 1.338 6.702 ( 2.135 0.048 0.209) 2.146 6.796 ( 5.646 -3.678 -0.851) 6.792 7.295 ( -1.232 0.815 1.164) 1.880 7.324 ( -1.644 -0.766 0.096) 1.816 7.378 ( 1.737 0.403 0.328) 1.813 7.457 ( 2.138 0.285 -0.793) 2.298 7.844 ( -1.054 0.040 0.621) 1.224 7.923 ( -1.985 -1.457 -0.266) 2.477 8.146 ( 0.834 1.159 1.579) 2.129 8.310 ( -6.486 3.888 -2.418) 7.939 11.151 ( -0.959 0.298 0.467) 1.108 11.169 ( -0.215 0.443 0.778) 0.921 12.971 ( -0.693 0.837 -0.190) 1.103 13.053 ( -3.595 1.273 0.981) 3.938 16.422 ( 0.431 -0.207 -0.239) 0.535 16.453 ( 0.974 -0.450 0.434) 1.158 16.935 ( 1.282 1.251 0.693) 1.920 17.037 ( 0.027 0.779 -1.353) 1.562 17.201 ( 1.301 2.365 0.929) 2.854 17.299 ( -1.329 1.993 1.154) 2.659 17.413 ( 12.992 -6.369 -11.303) 18.361 17.649 ( -1.450 -2.857 -2.915) 4.331 17.829 ( -1.545 -0.500 7.274) 7.453 17.928 ( -5.599 0.454 3.591) 6.667 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 9.709 9.077 8.891) 15.991 0.898 ( 15.725 11.353 3.807) 19.766 1.458 ( 16.645 -0.175 11.571) 20.273 1.535 ( 4.646 1.156 1.591) 5.045 1.633 ( -0.753 1.461 -12.408) 12.516 1.878 ( -2.850 -4.472 -0.992) 5.395 1.952 ( 3.569 -2.934 -3.545) 5.823 2.093 ( -0.656 -2.649 1.498) 3.113 2.238 ( 5.352 -1.812 1.047) 5.747 2.310 ( -3.657 0.418 3.805) 5.294 2.345 ( 2.369 -0.459 4.906) 5.467 2.589 ( -1.253 -4.306 -2.615) 5.192 2.829 ( -0.573 -1.718 0.321) 1.839 2.864 ( -4.334 2.444 -3.709) 6.206 2.977 ( 0.160 2.146 1.142) 2.436 3.078 ( 4.912 0.285 -5.265) 7.206 3.164 ( 2.565 -2.516 -1.288) 3.816 3.305 ( -1.274 4.955 -1.759) 5.410 3.459 ( 0.239 1.228 -2.383) 2.691 3.567 ( -2.045 -5.837 1.094) 6.281 3.617 ( -3.560 -1.595 -1.161) 4.070 3.784 ( -6.196 0.423 3.609) 7.182 4.017 ( 2.615 -0.990 -1.012) 2.973 4.071 ( 2.327 0.781 -1.245) 2.752 4.192 ( 2.732 -0.382 -0.488) 2.801 4.241 ( 4.131 -0.233 -1.137) 4.291 4.654 ( -0.344 1.798 -0.517) 1.902 4.738 ( -0.541 1.938 -2.103) 2.910 4.825 ( 3.164 1.077 -0.445) 3.372 4.897 ( 4.102 -0.011 2.533) 4.821 5.561 ( 1.433 1.522 2.990) 3.648 5.639 ( 0.367 0.833 -0.209) 0.934 5.686 ( 1.692 -1.169 0.171) 2.064 5.787 ( -0.524 -0.995 -0.475) 1.221 5.814 ( 1.074 -1.964 0.858) 2.397 5.864 ( 2.186 -0.668 0.043) 2.286 6.745 ( 2.743 -0.062 -0.343) 2.765 6.842 ( 2.636 -1.444 -2.294) 3.781 7.282 ( -1.400 0.694 0.494) 1.639 7.301 ( -1.045 0.130 0.849) 1.353 7.434 ( 3.557 -0.162 0.856) 3.663 7.477 ( 1.276 -0.209 -1.030) 1.653 7.827 ( -1.908 0.044 0.856) 2.092 7.877 ( -2.701 -0.901 -0.534) 2.897 8.145 ( -1.521 2.122 -2.124) 3.365 8.239 ( -1.212 0.997 1.869) 2.441 11.137 ( -1.253 0.448 0.527) 1.431 11.174 ( -0.598 0.403 1.267) 1.458 12.958 ( -0.758 0.578 0.019) 0.953 13.008 ( -2.621 1.037 0.150) 2.823 16.427 ( 0.604 0.025 -0.409) 0.730 16.477 ( 1.090 -0.432 0.499) 1.274 16.974 ( 2.129 -0.017 0.562) 2.202 17.034 ( 1.457 0.849 -1.404) 2.194 17.229 ( 0.314 2.992 0.212) 3.015 17.289 ( -1.720 2.243 1.971) 3.446 17.449 ( 6.587 -2.779 -9.777) 12.112 17.571 ( -2.403 -1.622 -4.564) 5.407 17.860 ( -4.225 -1.154 5.679) 7.171 17.930 ( -0.196 -1.574 6.608) 6.796 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 7.966 8.058 6.855) 13.243 1.187 ( 13.278 6.239 3.649) 15.117 1.445 ( -1.812 1.684 -13.509) 13.734 1.548 ( 2.674 -0.928 -1.265) 3.100 1.788 ( 3.163 -4.815 2.269) 6.191 1.841 ( 0.111 -1.935 0.965) 2.165 1.985 ( 4.314 -2.175 -2.121) 5.276 2.101 ( -3.113 -5.127 2.947) 6.683 2.303 ( -2.420 0.998 4.822) 5.487 2.353 ( 5.460 -1.250 5.986) 8.198 2.426 ( 3.245 0.390 -0.350) 3.287 2.564 ( -0.140 -2.251 -0.377) 2.287 2.738 ( -4.590 0.737 -2.329) 5.200 2.851 ( 1.795 -2.577 0.773) 3.234 3.010 ( 1.471 3.112 2.314) 4.147 3.113 ( 4.857 2.809 -3.883) 6.824 3.181 ( 2.217 -0.762 -2.990) 3.800 3.264 ( -0.854 4.357 -2.091) 4.908 3.452 ( 0.574 -0.721 -0.572) 1.085 3.536 ( -3.809 -0.065 -1.781) 4.205 3.546 ( -1.474 -4.935 0.216) 5.155 3.691 ( -6.560 0.645 0.344) 6.600 4.071 ( 3.856 -0.829 0.134) 3.946 4.107 ( 3.851 0.568 -1.755) 4.270 4.226 ( 0.919 -0.767 0.484) 1.291 4.284 ( 1.350 0.184 0.833) 1.597 4.631 ( -0.885 2.028 -1.435) 2.637 4.703 ( -0.737 2.011 -1.911) 2.870 4.872 ( 2.717 1.267 -0.363) 3.020 4.994 ( 4.151 -0.621 1.655) 4.512 5.613 ( 0.881 1.407 2.558) 3.049 5.630 ( -0.752 1.462 -0.359) 1.683 5.714 ( 1.352 -2.074 0.078) 2.477 5.777 ( -0.107 -1.404 -0.230) 1.427 5.852 ( 1.904 -1.685 1.124) 2.780 5.900 ( 1.691 -0.553 0.239) 1.796 6.779 ( 2.007 0.088 -0.670) 2.118 6.850 ( 1.382 -0.279 -2.078) 2.511 7.265 ( -1.086 0.346 0.370) 1.198 7.310 ( 0.441 0.131 1.387) 1.461 7.467 ( 0.022 -0.204 -1.997) 2.008 7.505 ( 2.737 -0.203 1.136) 2.970 7.802 ( -1.927 0.036 0.603) 2.019 7.835 ( -1.586 -0.540 -0.262) 1.696 8.087 ( -1.670 2.262 -2.316) 3.643 8.264 ( 0.516 -0.380 2.069) 2.166 11.122 ( -1.091 0.637 0.378) 1.318 11.177 ( -0.592 0.169 1.213) 1.360 12.947 ( -0.620 0.438 -0.004) 0.760 12.969 ( -1.837 0.869 -0.338) 2.060 16.432 ( 0.486 0.271 -0.409) 0.691 16.496 ( 0.622 -0.336 0.301) 0.768 17.005 ( 1.529 -1.619 -0.643) 2.318 17.051 ( 1.608 0.510 -0.691) 1.823 17.209 ( -2.014 3.558 -0.506) 4.119 17.291 ( -0.746 3.412 2.208) 4.132 17.445 ( 3.536 -0.565 -5.979) 6.969 17.489 ( -2.048 -1.275 -3.030) 3.873 17.844 ( -2.904 -0.593 3.059) 4.260 18.017 ( 1.418 -3.062 6.011) 6.893 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.265 7.876 2.648) 8.928 1.287 ( -1.146 1.374 -5.375) 5.665 1.404 ( 6.569 3.331 0.680) 7.396 1.572 ( 0.372 -1.676 0.388) 1.760 1.796 ( 0.371 -6.664 -0.970) 6.744 1.839 ( -0.828 -0.173 -0.416) 0.943 2.027 ( -0.552 0.459 1.106) 1.318 2.064 ( -0.055 -8.850 -0.577) 8.869 2.324 ( -0.480 1.568 3.426) 3.798 2.418 ( -1.687 -1.255 -1.448) 2.553 2.506 ( 4.453 1.560 1.172) 4.862 2.539 ( -1.624 -2.731 0.548) 3.225 2.711 ( 0.528 1.930 0.668) 2.110 2.887 ( 1.104 -4.300 0.596) 4.479 3.068 ( 1.502 3.087 2.222) 4.089 3.150 ( 2.698 3.903 -0.794) 4.811 3.179 ( 1.063 1.801 -2.771) 3.472 3.238 ( -0.260 3.983 -0.345) 4.007 3.433 ( -3.208 -1.359 -2.240) 4.142 3.459 ( -0.738 -3.367 0.083) 3.448 3.552 ( 2.866 -0.278 -1.475) 3.235 3.603 ( -5.008 -0.062 1.474) 5.221 4.124 ( 2.035 1.424 -0.309) 2.503 4.157 ( 2.922 -0.775 -0.202) 3.030 4.225 ( -1.191 -2.671 0.222) 2.933 4.306 ( 0.140 0.488 0.815) 0.960 4.604 ( -0.465 2.434 -0.905) 2.639 4.679 ( -0.290 2.011 -0.790) 2.180 4.902 ( 1.039 1.597 -0.103) 1.908 5.057 ( 1.656 -1.437 0.510) 2.251 5.616 ( -0.433 1.868 -0.195) 1.928 5.642 ( 0.224 1.703 1.000) 1.987 5.730 ( 0.475 -2.338 0.039) 2.386 5.776 ( 0.024 -1.508 -0.070) 1.510 5.890 ( 1.037 -1.399 0.668) 1.865 5.919 ( 0.452 -1.023 -0.048) 1.120 6.797 ( 0.730 0.383 -0.260) 0.865 6.848 ( 0.457 -0.033 -0.896) 1.007 7.255 ( -0.399 0.119 0.180) 0.453 7.336 ( 0.701 -0.486 1.061) 1.361 7.437 ( -0.673 0.690 -1.413) 1.711 7.548 ( 1.129 -0.370 0.412) 1.258 7.782 ( -0.801 0.101 0.233) 0.840 7.819 ( -0.338 -0.671 0.021) 0.752 8.049 ( -0.616 2.205 -0.887) 2.455 8.287 ( 0.302 -0.688 0.772) 1.077 11.112 ( -0.447 0.746 0.132) 0.880 11.180 ( -0.237 -0.020 0.503) 0.556 12.939 ( -0.175 0.497 -0.042) 0.528 12.944 ( -0.754 0.704 -0.176) 1.046 16.434 ( 0.184 0.421 -0.175) 0.492 16.505 ( 0.177 -0.255 0.092) 0.324 17.014 ( 0.562 -2.621 -0.674) 2.764 17.064 ( 0.472 0.208 -0.079) 0.521 17.174 ( -1.176 3.601 -0.300) 3.800 17.305 ( -0.021 4.515 1.045) 4.634 17.433 ( 0.257 -0.722 -2.010) 2.151 17.452 ( 0.152 -0.023 -1.003) 1.014 17.833 ( -1.011 -0.153 0.980) 1.417 18.084 ( 0.728 -3.700 2.363) 4.450 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.000 14.305 0.000) 14.305 0.867 ( 0.000 13.773 0.000) 13.773 0.905 ( 0.000 21.239 0.000) 21.239 1.512 ( 0.000 -1.038 0.000) 1.038 1.745 ( 0.000 -6.475 0.000) 6.475 1.822 ( 0.000 -1.489 0.000) 1.489 1.940 ( 0.000 -4.980 0.000) 4.980 1.979 ( 0.000 -0.703 0.000) 0.703 2.075 ( 0.000 -1.953 0.000) 1.953 2.251 ( 0.000 -1.852 0.000) 1.852 2.366 ( 0.000 0.802 0.000) 0.802 2.542 ( 0.000 -5.857 0.000) 5.857 2.923 ( 0.000 0.203 0.000) 0.203 2.934 ( 0.000 1.561 0.000) 1.561 2.989 ( 0.000 0.445 0.000) 0.445 3.007 ( 0.000 -2.003 0.000) 2.003 3.206 ( 0.000 -1.326 0.000) 1.326 3.343 ( 0.000 -5.731 0.000) 5.731 3.481 ( 0.000 3.767 0.000) 3.767 3.594 ( 0.000 2.931 0.000) 2.931 3.672 ( 0.000 -2.743 0.000) 2.743 3.749 ( 0.000 -1.470 0.000) 1.470 4.037 ( 0.000 -0.881 0.000) 0.881 4.038 ( 0.000 -1.318 0.000) 1.318 4.074 ( 0.000 2.405 0.000) 2.405 4.166 ( 0.000 -0.395 0.000) 0.395 4.686 ( 0.000 2.631 0.000) 2.631 4.758 ( 0.000 1.214 0.000) 1.214 4.786 ( 0.000 -0.427 0.000) 0.427 4.828 ( 0.000 -0.820 0.000) 0.820 5.544 ( 0.000 2.787 0.000) 2.787 5.610 ( 0.000 -0.030 0.000) 0.030 5.653 ( 0.000 0.863 0.000) 0.863 5.769 ( 0.000 -2.515 0.000) 2.515 5.785 ( 0.000 -0.339 0.000) 0.339 5.839 ( 0.000 -0.545 0.000) 0.545 6.687 ( 0.000 0.236 0.000) 0.236 6.701 ( 0.000 -0.176 0.000) 0.176 7.313 ( 0.000 -0.498 0.000) 0.498 7.317 ( 0.000 0.730 0.000) 0.730 7.377 ( 0.000 0.400 0.000) 0.400 7.443 ( 0.000 -0.300 0.000) 0.300 7.851 ( 0.000 0.184 0.000) 0.184 7.906 ( 0.000 -1.889 0.000) 1.889 8.183 ( 0.000 3.574 0.000) 3.574 8.383 ( 0.000 -3.009 0.000) 3.009 11.164 ( 0.000 0.459 0.000) 0.459 11.172 ( 0.000 0.318 0.000) 0.318 13.000 ( 0.000 1.169 0.000) 1.169 13.075 ( 0.000 -1.328 0.000) 1.328 16.413 ( 0.000 -0.292 0.000) 0.292 16.431 ( 0.000 -0.718 0.000) 0.718 16.965 ( 0.000 2.806 0.000) 2.806 17.063 ( 0.000 0.570 0.000) 0.570 17.221 ( 0.000 -0.950 0.000) 0.950 17.239 ( 0.000 -0.778 0.000) 0.778 17.357 ( 0.000 3.522 0.000) 3.522 17.608 ( 0.000 -4.228 0.000) 4.228 17.835 ( 0.000 2.280 0.000) 2.280 17.954 ( 0.000 -1.534 0.000) 1.534 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 8.669 12.600 3.947) 15.796 0.979 ( 7.855 19.255 0.745) 20.809 1.078 ( 13.746 6.276 11.736) 19.133 1.519 ( 2.468 -0.033 -2.241) 3.334 1.756 ( 0.873 -2.995 -1.280) 3.372 1.799 ( 0.556 -2.071 -3.560) 4.156 1.916 ( -2.771 -1.777 1.779) 3.741 2.022 ( 1.478 -4.693 -2.845) 5.684 2.082 ( 5.418 -2.265 -1.269) 6.008 2.244 ( -1.091 -3.540 1.979) 4.200 2.343 ( -2.492 0.471 1.572) 2.984 2.544 ( -0.540 -4.266 1.029) 4.421 2.902 ( -2.200 3.246 -2.142) 4.468 2.952 ( -0.806 0.844 3.105) 3.317 2.985 ( 2.446 0.331 -2.443) 3.473 3.042 ( 2.196 -2.392 2.360) 4.014 3.124 ( -1.743 -0.657 -7.951) 8.166 3.359 ( -2.837 -5.611 5.347) 8.254 3.475 ( -0.902 1.886 -0.256) 2.106 3.557 ( 0.136 2.590 -5.301) 5.901 3.655 ( -1.167 -1.400 -1.489) 2.354 3.770 ( -0.729 -2.315 3.256) 4.061 3.999 ( -0.738 -0.310 -0.345) 0.872 4.069 ( -0.220 -0.619 0.690) 0.953 4.124 ( 5.651 0.593 -1.246) 5.817 4.185 ( 4.133 0.066 -2.328) 4.744 4.693 ( 0.287 2.196 0.029) 2.215 4.784 ( 2.129 1.829 -0.279) 2.820 4.800 ( 1.921 0.230 0.135) 1.939 4.830 ( 0.341 -0.520 1.343) 1.480 5.549 ( 0.795 1.701 0.148) 1.884 5.627 ( 0.795 0.720 1.248) 1.645 5.653 ( 0.077 -0.794 0.163) 0.814 5.758 ( -1.335 -3.004 0.573) 3.337 5.797 ( 1.213 0.815 -0.259) 1.484 5.834 ( 0.655 0.029 -1.012) 1.206 6.705 ( 2.072 0.306 0.119) 2.098 6.752 ( 4.247 -1.509 0.248) 4.514 7.311 ( -1.089 0.211 1.265) 1.682 7.317 ( 0.109 0.551 -0.979) 1.128 7.384 ( 1.495 0.381 0.020) 1.543 7.452 ( 1.359 -0.793 -0.756) 1.746 7.845 ( -1.115 0.137 0.657) 1.301 7.892 ( -1.725 -1.661 0.169) 2.400 8.188 ( 0.190 2.799 0.486) 2.847 8.329 ( -3.814 -0.945 -2.342) 4.575 11.159 ( -0.913 0.543 0.627) 1.234 11.177 ( -0.129 0.262 0.672) 0.732 12.991 ( -0.788 1.232 -0.115) 1.467 13.057 ( -2.015 -0.567 0.256) 2.109 16.418 ( 0.629 -0.139 -0.122) 0.656 16.442 ( 0.999 -0.743 0.321) 1.286 16.972 ( 0.650 2.545 0.275) 2.641 17.054 ( -0.108 0.785 -0.865) 1.173 17.235 ( 2.370 1.019 0.659) 2.662 17.313 ( 6.973 -3.836 -2.290) 8.282 17.353 ( -0.516 3.366 0.007) 3.405 17.592 ( -0.373 -3.581 -2.599) 4.440 17.837 ( -1.950 1.140 3.679) 4.318 17.920 ( -4.019 -1.010 1.357) 4.360 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 9.595 11.125 6.660) 16.130 1.152 ( 9.994 14.439 2.339) 17.716 1.421 ( 11.877 -4.125 4.957) 13.514 1.555 ( 4.033 -0.271 0.284) 4.052 1.671 ( -1.002 2.741 -11.118) 11.494 1.801 ( -1.124 -2.849 0.652) 3.131 1.893 ( 1.225 -3.177 -2.992) 4.533 2.020 ( -0.318 -4.631 2.419) 5.234 2.170 ( 5.666 -4.032 -0.307) 6.961 2.270 ( 0.139 -4.337 2.696) 5.108 2.365 ( 1.372 2.381 5.604) 6.241 2.546 ( -1.014 -1.261 1.792) 2.415 2.834 ( -3.268 2.293 -0.998) 4.115 2.912 ( -3.776 2.427 -3.826) 5.898 3.007 ( 0.201 1.011 2.374) 2.588 3.071 ( 5.924 -0.517 -4.981) 7.757 3.116 ( 3.105 -2.351 0.987) 4.018 3.359 ( -2.595 -3.270 3.048) 5.169 3.443 ( -1.573 -0.184 -1.284) 2.039 3.507 ( 0.513 1.247 -4.390) 4.592 3.610 ( -1.618 0.239 -2.317) 2.836 3.761 ( -3.810 -2.712 1.070) 4.798 4.005 ( 2.071 -0.023 -0.325) 2.096 4.075 ( 1.609 -0.763 -1.004) 2.044 4.193 ( 3.900 0.869 -0.909) 4.097 4.244 ( 4.391 0.277 -1.142) 4.545 4.690 ( -0.504 2.005 -0.171) 2.074 4.776 ( -0.760 1.354 -1.605) 2.233 4.849 ( 3.691 1.493 -0.609) 4.028 4.897 ( 3.977 0.008 2.188) 4.540 5.576 ( 1.402 -0.152 1.278) 1.903 5.650 ( -0.207 0.657 2.019) 2.134 5.665 ( 0.847 -1.329 0.147) 1.583 5.748 ( -0.845 -2.491 0.804) 2.751 5.809 ( 1.131 1.280 -0.349) 1.743 5.855 ( 2.448 -0.278 -0.574) 2.529 6.747 ( 2.728 0.358 -0.253) 2.763 6.812 ( 3.165 -1.615 -0.908) 3.667 7.297 ( -0.890 0.865 -0.919) 1.544 7.307 ( -0.521 0.537 0.718) 1.037 7.430 ( 3.234 -0.232 0.488) 3.279 7.466 ( 1.183 -0.990 -0.701) 1.694 7.828 ( -1.935 0.072 0.885) 2.129 7.857 ( -2.437 -1.086 0.109) 2.670 8.186 ( -0.869 2.120 -1.232) 2.602 8.252 ( -2.223 0.195 -0.225) 2.243 11.149 ( -1.118 0.768 0.719) 1.535 11.180 ( -0.647 0.138 1.040) 1.232 12.975 ( -0.968 1.131 -0.035) 1.489 13.021 ( -2.270 0.182 -0.092) 2.280 16.429 ( 0.870 0.214 -0.232) 0.926 16.465 ( 1.232 -0.782 0.360) 1.503 16.988 ( 0.849 1.488 -0.124) 1.717 17.050 ( 0.815 0.651 -0.888) 1.370 17.288 ( 2.296 2.628 0.309) 3.503 17.337 ( -0.960 2.640 -0.048) 2.810 17.388 ( 5.712 -2.828 -3.251) 7.155 17.538 ( -1.247 -2.013 -4.442) 5.034 17.844 ( -3.283 -0.391 4.502) 5.586 17.893 ( -1.676 -2.016 4.399) 5.121 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 8.086 9.962 5.386) 13.916 1.326 ( 6.544 7.755 2.347) 10.415 1.494 ( -0.908 3.028 -10.538) 11.002 1.531 ( 2.576 -0.732 -3.199) 4.172 1.673 ( 2.532 -6.367 0.853) 6.905 1.800 ( 2.739 -3.441 -0.444) 4.420 1.877 ( 0.778 -7.483 -3.039) 8.114 2.003 ( -4.089 -5.326 1.423) 6.864 2.296 ( 0.165 -0.855 2.519) 2.666 2.336 ( 7.597 -0.512 7.537) 10.713 2.455 ( 2.246 2.662 2.533) 4.307 2.550 ( -1.428 -0.403 2.136) 2.601 2.757 ( -3.792 2.347 -0.334) 4.472 2.845 ( -0.213 1.182 -1.301) 1.770 3.061 ( 2.119 2.076 3.140) 4.320 3.138 ( 7.137 0.047 -4.347) 8.357 3.162 ( 3.000 -1.133 -1.594) 3.581 3.333 ( -3.046 0.322 0.908) 3.195 3.412 ( -0.856 -2.395 -0.573) 2.607 3.479 ( 0.367 0.281 -2.699) 2.738 3.558 ( -1.539 1.020 -1.827) 2.598 3.676 ( -5.790 -1.983 -0.411) 6.134 4.059 ( 3.936 -0.328 0.485) 3.979 4.105 ( 3.694 -0.922 -1.814) 4.217 4.226 ( 0.853 1.028 -0.781) 1.548 4.292 ( 1.683 0.307 0.490) 1.779 4.674 ( -0.757 2.415 -0.768) 2.645 4.743 ( -0.925 1.746 -1.453) 2.453 4.902 ( 3.302 1.699 -0.759) 3.790 4.978 ( 3.366 -1.021 0.876) 3.625 5.617 ( 1.272 -1.056 1.676) 2.354 5.666 ( -0.780 2.130 1.800) 2.896 5.678 ( 0.653 -1.866 0.664) 2.086 5.743 ( -0.126 -1.701 -0.340) 1.739 5.836 ( 1.736 0.143 0.595) 1.840 5.886 ( 1.691 -0.820 -0.469) 1.937 6.784 ( 2.053 0.468 -0.343) 2.133 6.839 ( 1.641 -0.875 -1.293) 2.265 7.274 ( -0.853 0.682 -0.521) 1.210 7.312 ( 0.462 0.008 0.168) 0.491 7.463 ( 0.628 -0.105 -1.166) 1.329 7.496 ( 2.329 -0.758 1.190) 2.723 7.803 ( -1.824 0.109 0.540) 1.906 7.823 ( -1.707 -0.654 0.177) 1.836 8.137 ( -1.677 2.862 -1.979) 3.862 8.251 ( 0.062 -0.977 1.388) 1.699 11.138 ( -0.924 0.992 0.454) 1.430 11.179 ( -0.738 -0.078 0.986) 1.234 12.960 ( -0.728 0.902 -0.076) 1.162 12.984 ( -1.767 0.543 -0.354) 1.882 16.440 ( 0.693 0.569 -0.260) 0.933 16.486 ( 0.806 -0.727 0.207) 1.105 16.993 ( 0.372 0.387 -0.747) 0.920 17.057 ( 0.690 -0.045 -0.407) 0.803 17.275 ( -1.448 3.286 -2.040) 4.130 17.356 ( 1.246 2.460 1.718) 3.249 17.438 ( 3.880 0.125 -2.207) 4.465 17.468 ( -1.586 -0.603 -3.438) 3.833 17.834 ( -2.390 -0.333 3.025) 3.869 17.944 ( 0.633 -4.311 4.782) 6.469 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 3.490 9.182 2.090) 10.042 1.331 ( -1.507 3.402 -3.881) 5.377 1.464 ( 3.158 2.269 -0.672) 3.946 1.543 ( 0.177 -0.997 0.494) 1.127 1.675 ( 0.663 -5.945 -2.536) 6.497 1.831 ( 1.057 -0.604 -0.807) 1.460 1.863 ( -0.518 -11.385 -0.649) 11.415 1.973 ( -0.927 -5.716 1.772) 6.056 2.342 ( 1.823 1.328 3.220) 3.931 2.424 ( -2.497 1.879 -1.194) 3.346 2.504 ( 0.748 0.366 0.392) 0.921 2.566 ( 1.868 2.089 2.985) 4.095 2.753 ( 0.705 2.708 1.585) 3.216 2.838 ( 0.031 -0.967 -0.324) 1.020 3.115 ( 0.811 1.638 1.407) 2.307 3.172 ( 1.393 0.617 -1.179) 1.927 3.222 ( 6.679 -0.834 -3.662) 7.662 3.288 ( -4.359 1.195 2.254) 5.050 3.386 ( -0.959 -1.364 -1.497) 2.241 3.452 ( -0.675 1.517 -0.863) 1.872 3.539 ( 0.840 -0.517 -0.610) 1.160 3.594 ( -3.349 -1.176 0.230) 3.557 4.134 ( 3.685 -0.932 0.909) 3.908 4.144 ( 2.307 -0.634 -0.924) 2.565 4.203 ( -2.111 1.252 -0.929) 2.625 4.310 ( -0.015 -0.257 0.578) 0.632 4.655 ( -0.357 2.897 -0.530) 2.967 4.720 ( -0.377 1.936 -0.622) 2.068 4.937 ( 1.342 1.816 -0.229) 2.270 5.022 ( 1.226 -2.060 0.084) 2.399 5.648 ( 0.519 -0.092 1.211) 1.321 5.663 ( -0.268 1.054 -0.336) 1.139 5.700 ( 0.103 -0.118 1.579) 1.586 5.734 ( 0.030 -2.263 -0.939) 2.450 5.869 ( 1.047 -0.587 0.768) 1.425 5.896 ( 0.289 -1.211 -0.584) 1.375 6.806 ( 0.783 0.587 -0.028) 0.979 6.844 ( 0.476 -0.373 -0.679) 0.909 7.260 ( -0.339 0.479 -0.139) 0.604 7.322 ( 0.478 -1.054 -0.054) 1.158 7.455 ( -0.178 1.207 -0.419) 1.290 7.535 ( 0.999 -1.028 0.437) 1.499 7.785 ( -0.689 0.208 0.197) 0.746 7.805 ( -0.564 -0.660 0.089) 0.873 8.103 ( -0.612 3.306 -0.694) 3.433 8.265 ( 0.143 -1.692 0.587) 1.796 11.130 ( -0.373 1.132 0.137) 1.200 11.177 ( -0.312 -0.267 0.413) 0.582 12.952 ( -0.129 0.736 -0.041) 0.749 12.959 ( -0.817 0.712 -0.202) 1.102 16.446 ( 0.259 0.777 -0.118) 0.828 16.496 ( 0.259 -0.647 0.059) 0.699 16.988 ( 0.022 -0.096 -0.470) 0.480 17.062 ( 0.218 -0.625 0.004) 0.662 17.235 ( -0.841 3.107 -1.014) 3.375 17.389 ( 0.635 0.433 0.961) 1.231 17.419 ( -0.613 2.726 -1.611) 3.225 17.469 ( 1.291 1.622 -0.533) 2.140 17.831 ( -0.791 -0.008 1.091) 1.347 17.994 ( 0.503 -5.514 1.908) 5.857 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.000 11.596 0.000) 11.596 0.966 ( 0.000 -2.934 0.000) 2.934 1.249 ( 0.000 14.834 0.000) 14.834 1.448 ( 0.000 -6.500 0.000) 6.500 1.701 ( 0.000 1.533 0.000) 1.533 1.760 ( 0.000 -4.075 0.000) 4.075 1.897 ( 0.000 0.136 0.000) 0.136 1.937 ( 0.000 -3.498 0.000) 3.498 2.104 ( 0.000 5.074 0.000) 5.074 2.199 ( 0.000 -3.786 0.000) 3.786 2.372 ( 0.000 0.780 0.000) 0.780 2.429 ( 0.000 -5.424 0.000) 5.424 2.924 ( 0.000 0.051 0.000) 0.051 2.935 ( 0.000 -1.122 0.000) 1.122 2.999 ( 0.000 0.732 0.000) 0.732 3.000 ( 0.000 0.750 0.000) 0.750 3.199 ( 0.000 0.795 0.000) 0.795 3.244 ( 0.000 -4.143 0.000) 4.143 3.556 ( 0.000 3.821 0.000) 3.821 3.619 ( 0.000 -3.002 0.000) 3.002 3.651 ( 0.000 3.109 0.000) 3.109 3.708 ( 0.000 -2.783 0.000) 2.783 4.021 ( 0.000 -0.272 0.000) 0.272 4.024 ( 0.000 -0.483 0.000) 0.483 4.121 ( 0.000 2.174 0.000) 2.174 4.152 ( 0.000 -1.131 0.000) 1.131 4.739 ( 0.000 2.982 0.000) 2.982 4.774 ( 0.000 0.465 0.000) 0.465 4.781 ( 0.000 -0.163 0.000) 0.163 4.795 ( 0.000 -2.546 0.000) 2.546 5.584 ( 0.000 1.480 0.000) 1.480 5.603 ( 0.000 -0.650 0.000) 0.650 5.679 ( 0.000 1.791 0.000) 1.791 5.719 ( 0.000 -2.444 0.000) 2.444 5.798 ( 0.000 1.214 0.000) 1.214 5.822 ( 0.000 -1.215 0.000) 1.215 6.692 ( 0.000 0.263 0.000) 0.263 6.697 ( 0.000 -0.236 0.000) 0.236 7.312 ( 0.000 0.282 0.000) 0.282 7.319 ( 0.000 -0.354 0.000) 0.354 7.397 ( 0.000 1.569 0.000) 1.569 7.426 ( 0.000 -1.362 0.000) 1.362 7.858 ( 0.000 0.592 0.000) 0.592 7.875 ( 0.000 -1.310 0.000) 1.310 8.252 ( 0.000 3.741 0.000) 3.741 8.321 ( 0.000 -3.544 0.000) 3.544 11.172 ( 0.000 0.342 0.000) 0.342 11.176 ( 0.000 -0.000 0.000) 0.000 13.023 ( 0.000 1.318 0.000) 1.318 13.049 ( 0.000 -1.391 0.000) 1.391 16.411 ( 0.000 0.115 0.000) 0.115 16.418 ( 0.000 -0.594 0.000) 0.594 17.020 ( 0.000 2.810 0.000) 2.810 17.060 ( 0.000 -1.168 0.000) 1.168 17.211 ( 0.000 0.021 0.000) 0.021 17.222 ( 0.000 -0.927 0.000) 0.927 17.433 ( 0.000 4.517 0.000) 4.517 17.522 ( 0.000 -4.798 0.000) 4.798 17.879 ( 0.000 2.340 0.000) 2.340 17.920 ( 0.000 -2.019 0.000) 2.019 ======================= Grid point 28 (17/92) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 7.717 11.404 3.234) 14.144 1.077 ( 8.316 -5.892 5.209) 11.446 1.298 ( 4.852 13.801 0.619) 14.642 1.476 ( 2.954 -5.372 -0.200) 6.134 1.740 ( 2.859 1.527 1.777) 3.696 1.772 ( 2.474 -1.433 -3.411) 4.450 1.899 ( 1.377 -0.674 -1.833) 2.389 1.929 ( 1.431 -4.221 -4.756) 6.518 2.088 ( -0.995 3.362 -0.133) 3.509 2.168 ( -2.135 -4.283 -0.149) 4.789 2.365 ( -0.801 2.677 2.765) 3.932 2.450 ( 0.474 -5.596 3.349) 6.539 2.960 ( 0.502 2.099 -0.158) 2.164 2.968 ( -0.359 1.320 1.735) 2.209 2.988 ( 2.408 -0.401 -2.073) 3.203 2.997 ( 0.257 -1.786 2.414) 3.014 3.142 ( -2.858 2.781 -3.453) 5.275 3.231 ( -2.218 -6.384 1.570) 6.938 3.536 ( -1.250 3.236 -1.315) 3.710 3.578 ( -1.089 -0.873 -3.676) 3.932 3.656 ( 0.059 2.045 -0.774) 2.187 3.714 ( -0.171 -3.441 0.462) 3.476 4.008 ( -0.338 1.192 0.131) 1.246 4.038 ( 0.448 -1.874 0.103) 1.930 4.155 ( 4.504 1.812 -1.342) 5.037 4.180 ( 4.432 -0.769 -1.939) 4.899 4.736 ( -0.222 2.501 -0.028) 2.511 4.782 ( 0.080 -1.978 -0.508) 2.044 4.814 ( 3.090 0.880 1.349) 3.485 4.822 ( 2.379 -0.200 1.665) 2.910 5.578 ( 0.531 1.621 -1.496) 2.269 5.613 ( 0.966 -1.954 -0.842) 2.336 5.667 ( -1.505 1.946 1.808) 3.053 5.707 ( -1.703 -2.333 1.650) 3.326 5.816 ( 1.700 1.058 -0.088) 2.004 5.831 ( 1.122 -0.457 -0.488) 1.306 6.714 ( 2.357 0.656 0.117) 2.449 6.729 ( 3.078 -0.964 0.209) 3.232 7.316 ( -0.055 0.435 0.460) 0.635 7.323 ( 0.277 -0.164 -0.239) 0.401 7.400 ( 0.976 1.371 -0.397) 1.729 7.429 ( 0.884 -1.528 -0.696) 1.898 7.851 ( -1.259 0.478 0.633) 1.488 7.865 ( -1.479 -1.127 0.491) 1.924 8.243 ( -0.704 2.941 -0.463) 3.059 8.294 ( -1.909 -2.461 -1.409) 3.419 11.170 ( -0.651 0.548 0.635) 1.062 11.177 ( -0.318 -0.204 0.628) 0.733 13.016 ( -0.855 1.317 0.005) 1.570 13.039 ( -1.145 -1.175 0.112) 1.645 16.419 ( 0.848 0.256 0.032) 0.886 16.428 ( 0.980 -0.675 0.187) 1.204 17.023 ( 0.312 2.530 -0.202) 2.557 17.056 ( -0.009 -0.794 -0.547) 0.964 17.244 ( 3.548 0.323 0.262) 3.573 17.260 ( 4.343 -1.684 -0.325) 4.669 17.429 ( -0.421 4.474 -0.263) 4.501 17.515 ( -0.146 -4.488 -1.239) 4.659 17.865 ( -2.473 1.660 1.708) 3.434 17.896 ( -3.120 -1.500 0.983) 3.599 ======================= Grid point 29 (18/92) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 9.668 10.907 4.637) 15.295 1.293 ( 10.428 -9.109 3.599) 14.306 1.395 ( 4.064 10.252 2.405) 11.287 1.518 ( 1.705 -3.481 -0.059) 3.876 1.729 ( 1.072 2.799 -10.709) 11.121 1.796 ( 2.277 0.037 -0.740) 2.394 1.819 ( -2.199 -1.237 -8.422) 8.792 1.922 ( -0.909 -6.306 -0.058) 6.371 2.138 ( 5.829 1.149 3.791) 7.047 2.190 ( 2.805 -3.787 3.706) 5.995 2.425 ( 1.245 4.041 6.078) 7.404 2.503 ( -0.041 -3.580 4.508) 5.757 2.895 ( -3.516 3.471 -2.239) 5.424 2.938 ( -3.297 -0.452 -3.053) 4.516 3.022 ( 1.247 1.048 3.067) 3.472 3.053 ( 1.952 -1.938 1.583) 3.173 3.117 ( 3.743 3.622 -1.374) 5.387 3.228 ( 0.071 -7.458 1.207) 7.555 3.494 ( -1.067 2.803 -2.611) 3.977 3.522 ( -0.304 -0.184 -4.085) 4.100 3.632 ( -1.493 2.340 -1.429) 3.122 3.694 ( -2.508 -3.916 -0.375) 4.665 4.018 ( 2.064 1.285 -0.752) 2.545 4.048 ( 1.883 -1.741 -1.245) 2.850 4.220 ( 4.167 1.603 -0.956) 4.566 4.242 ( 4.377 -0.636 -1.044) 4.545 4.731 ( -0.508 2.347 0.040) 2.402 4.772 ( -0.641 -1.642 -0.464) 1.822 4.879 ( 3.771 1.437 -0.118) 4.037 4.896 ( 3.899 -0.318 0.983) 4.034 5.579 ( 0.957 0.942 -0.203) 1.358 5.614 ( 0.550 -2.589 -0.262) 2.660 5.682 ( -0.314 1.528 2.757) 3.167 5.710 ( -0.788 -1.580 2.388) 2.970 5.836 ( 1.260 1.199 -0.759) 1.898 5.850 ( 1.872 -0.359 -0.727) 2.040 6.760 ( 2.826 0.986 -0.208) 3.000 6.783 ( 3.050 -1.456 -0.345) 3.397 7.312 ( -0.415 0.610 -0.949) 1.202 7.316 ( -0.257 0.203 -0.448) 0.555 7.430 ( 2.448 0.328 0.321) 2.490 7.444 ( 1.521 -1.120 -0.187) 1.899 7.831 ( -2.013 0.262 0.862) 2.206 7.840 ( -2.186 -0.707 0.629) 2.382 8.222 ( -1.076 1.617 -0.941) 2.158 8.245 ( -1.782 -0.877 -0.874) 2.170 11.165 ( -0.923 0.804 0.813) 1.469 11.177 ( -0.753 -0.434 0.896) 1.249 12.997 ( -1.209 1.150 -0.064) 1.669 13.015 ( -1.636 -0.701 -0.095) 1.783 16.436 ( 1.147 0.562 -0.022) 1.277 16.450 ( 1.277 -0.835 0.180) 1.537 17.023 ( 0.150 1.957 -0.625) 2.060 17.050 ( 0.183 -0.777 -0.786) 1.120 17.316 ( 4.065 0.734 0.244) 4.138 17.333 ( 4.695 -1.406 -1.932) 5.268 17.416 ( -0.243 4.028 0.081) 4.036 17.489 ( -0.424 -3.366 -2.420) 4.167 17.845 ( -3.037 0.481 3.213) 4.448 17.862 ( -2.754 -1.285 2.905) 4.204 ======================= Grid point 30 (19/92) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 8.044 9.534 2.730) 12.770 1.440 ( 2.859 -0.191 0.506) 2.910 1.482 ( 3.173 -1.165 1.050) 3.540 1.523 ( -2.018 -1.465 1.181) 2.759 1.614 ( 2.254 1.573 -9.633) 10.017 1.694 ( -0.305 -6.406 -9.689) 11.620 1.814 ( 0.851 1.689 -0.136) 1.896 1.897 ( -1.912 -5.728 0.765) 6.087 2.299 ( 4.108 1.088 4.076) 5.888 2.323 ( 7.280 -1.046 6.266) 9.662 2.504 ( 0.659 2.209 4.595) 5.141 2.535 ( -1.151 -1.190 3.882) 4.220 2.819 ( -3.138 3.474 -0.292) 4.691 2.860 ( -2.439 -0.436 -1.006) 2.674 3.091 ( 3.143 1.384 1.889) 3.919 3.119 ( 4.841 -1.611 -0.664) 5.145 3.168 ( 3.436 2.139 -1.419) 4.289 3.244 ( 0.150 -5.735 0.880) 5.804 3.451 ( -0.231 3.084 -2.970) 4.288 3.485 ( 0.459 -0.398 -3.052) 3.112 3.581 ( -2.648 1.702 -0.951) 3.288 3.627 ( -4.405 -2.907 -0.581) 5.309 4.062 ( 3.839 0.653 -0.468) 3.922 4.081 ( 3.784 -1.317 -1.449) 4.261 4.257 ( 1.172 1.922 -0.715) 2.362 4.286 ( 1.511 -0.988 -0.181) 1.814 4.720 ( -0.563 2.367 -0.387) 2.463 4.753 ( -0.765 -0.839 -0.654) 1.310 4.932 ( 3.205 1.538 -0.894) 3.666 4.958 ( 2.918 -1.174 -0.232) 3.154 5.605 ( 1.330 0.355 1.077) 1.748 5.633 ( 1.025 -2.419 1.015) 2.817 5.701 ( -0.720 1.469 2.114) 2.673 5.722 ( -0.560 -0.861 1.474) 1.796 5.851 ( 1.421 1.096 -0.605) 1.893 5.870 ( 1.416 -0.921 -0.819) 1.877 6.798 ( 1.991 0.959 -0.264) 2.225 6.819 ( 1.852 -1.195 -0.588) 2.281 7.290 ( -0.471 0.972 -1.209) 1.621 7.306 ( 0.066 -0.630 -1.035) 1.213 7.466 ( 1.294 0.453 0.107) 1.375 7.479 ( 1.944 -0.934 0.926) 2.347 7.806 ( -1.748 0.226 0.580) 1.855 7.812 ( -1.725 -0.442 0.497) 1.849 8.188 ( -1.210 2.406 -1.020) 2.880 8.226 ( -0.556 -1.696 0.258) 1.803 11.157 ( -0.822 0.972 0.582) 1.399 11.172 ( -0.797 -0.592 0.760) 1.250 12.977 ( -0.996 0.804 -0.174) 1.291 12.987 ( -1.397 -0.212 -0.277) 1.440 16.453 ( 0.885 0.836 -0.088) 1.220 16.470 ( 0.929 -0.928 0.072) 1.315 17.014 ( -0.156 1.633 -0.772) 1.813 17.044 ( -0.038 -1.287 -0.556) 1.403 17.328 ( -0.305 2.338 -3.038) 3.846 17.364 ( 1.093 -1.266 -1.331) 2.137 17.454 ( 3.105 1.328 0.734) 3.456 17.469 ( 0.948 0.056 -0.712) 1.187 17.837 ( -1.876 0.778 2.916) 3.553 17.871 ( -0.747 -3.001 3.496) 4.668 ======================= Grid point 31 (20/92) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 2.869 5.612 -0.902) 6.367 1.420 ( -2.174 6.652 -1.037) 7.075 1.469 ( 0.765 -1.736 -1.110) 2.198 1.536 ( -2.109 -1.813 5.637) 6.286 1.580 ( 2.993 -2.343 -9.618) 10.342 1.662 ( 1.937 -8.677 -0.197) 8.893 1.830 ( 1.112 0.999 0.039) 1.495 1.877 ( -1.761 -3.915 1.139) 4.442 2.384 ( 1.384 2.902 2.192) 3.891 2.432 ( 0.556 -1.626 1.223) 2.109 2.543 ( 0.280 3.234 1.575) 3.608 2.583 ( 1.876 -0.596 2.675) 3.322 2.802 ( -0.024 2.231 1.125) 2.499 2.829 ( -0.804 -0.666 -0.309) 1.089 3.134 ( 0.653 0.916 0.198) 1.142 3.166 ( 1.466 -2.274 -1.341) 3.020 3.205 ( 2.419 1.527 -0.904) 3.000 3.254 ( 0.068 -3.177 0.763) 3.269 3.425 ( 0.010 3.496 -1.461) 3.789 3.468 ( 0.273 -0.527 -1.261) 1.394 3.540 ( -1.074 0.588 -0.181) 1.238 3.562 ( -2.469 -1.782 0.126) 3.047 4.121 ( 2.750 -0.150 0.122) 2.757 4.128 ( 2.426 -0.767 -0.611) 2.617 4.248 ( -0.899 2.694 -0.486) 2.881 4.291 ( -0.372 -1.770 0.044) 1.810 4.708 ( -0.263 2.467 -0.308) 2.500 4.737 ( -0.357 -0.376 -0.353) 0.627 4.964 ( 1.338 1.171 -0.391) 1.820 4.987 ( 1.030 -1.481 -0.320) 1.832 5.635 ( 0.747 0.089 0.707) 1.032 5.658 ( 0.594 -1.993 0.462) 2.131 5.707 ( -0.475 1.225 1.152) 1.748 5.722 ( -0.403 -0.149 0.112) 0.444 5.867 ( 0.761 0.264 0.051) 0.808 5.877 ( 0.380 -0.789 -0.592) 1.057 6.819 ( 0.728 0.757 -0.029) 1.051 6.834 ( 0.596 -0.735 -0.299) 0.992 7.275 ( -0.170 1.075 -0.505) 1.200 7.299 ( 0.118 -1.351 -0.594) 1.480 7.481 ( 0.361 1.534 0.172) 1.585 7.511 ( 0.762 -1.533 0.388) 1.755 7.790 ( -0.640 0.261 0.198) 0.719 7.796 ( -0.643 -0.383 0.172) 0.768 8.167 ( -0.426 3.330 -0.307) 3.372 8.224 ( -0.130 -2.694 0.187) 2.703 11.151 ( -0.335 1.072 0.197) 1.140 11.168 ( -0.337 -0.701 0.299) 0.833 12.964 ( -0.327 0.479 -0.097) 0.588 12.967 ( -0.603 0.149 -0.157) 0.641 16.462 ( 0.323 0.979 -0.052) 1.032 16.481 ( 0.324 -0.944 0.009) 0.998 17.005 ( -0.145 1.620 -0.352) 1.665 17.039 ( -0.080 -1.761 -0.154) 1.769 17.293 ( -0.486 3.087 -1.250) 3.366 17.349 ( -0.243 -2.789 -1.007) 2.975 17.489 ( 0.824 2.516 0.298) 2.665 17.500 ( 1.400 1.132 0.167) 1.808 17.841 ( -0.533 1.421 1.180) 1.923 17.896 ( 0.005 -4.410 1.447) 4.641 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -6.474 0.000 22.421) 23.337 0.508 ( 1.111 0.000 24.414) 24.439 0.821 ( -4.796 0.000 38.669) 38.966 1.471 ( 0.794 0.000 -4.727) 4.793 1.694 ( -1.841 0.000 -11.060) 11.212 1.923 ( -1.538 0.000 -3.304) 3.645 1.974 ( 2.724 0.000 -2.776) 3.889 2.070 ( -1.073 0.000 -4.363) 4.493 2.108 ( 0.139 0.000 -2.919) 2.922 2.344 ( -2.124 0.000 7.803) 8.087 2.383 ( 0.273 0.000 6.740) 6.745 2.724 ( -2.447 0.000 0.054) 2.448 2.777 ( 3.935 0.000 -9.691) 10.459 2.910 ( 0.581 0.000 0.298) 0.652 2.937 ( 0.452 0.000 0.259) 0.521 2.974 ( 1.070 0.000 -11.561) 11.610 3.005 ( 5.400 0.000 3.875) 6.646 3.211 ( 1.364 0.000 -0.905) 1.637 3.505 ( -1.810 0.000 0.971) 2.054 3.676 ( 3.251 0.000 1.949) 3.791 3.681 ( 1.765 0.000 -2.848) 3.350 3.762 ( 4.653 0.000 -1.151) 4.793 4.016 ( -1.253 0.000 3.030) 3.279 4.109 ( 0.815 0.000 -0.304) 0.870 4.159 ( -2.075 0.000 -0.887) 2.257 4.329 ( -11.228 0.000 -3.494) 11.759 4.619 ( 0.847 0.000 1.729) 1.925 4.779 ( -1.365 0.000 0.917) 1.645 4.792 ( -4.267 0.000 -1.911) 4.675 4.816 ( 1.463 0.000 -0.542) 1.560 5.510 ( -0.387 0.000 4.472) 4.488 5.605 ( -0.668 0.000 0.290) 0.729 5.640 ( 0.263 0.000 -0.416) 0.492 5.779 ( 0.934 0.000 -1.282) 1.586 5.833 ( 0.051 0.000 -1.696) 1.696 5.834 ( 0.393 0.000 -0.908) 0.989 6.686 ( 0.060 0.000 0.599) 0.602 6.713 ( 3.551 0.000 -0.083) 3.552 7.355 ( 0.450 0.000 0.783) 0.903 7.380 ( -2.307 0.000 -0.106) 2.310 7.403 ( 1.825 0.000 0.262) 1.844 7.425 ( -5.279 0.000 -0.286) 5.287 7.863 ( 0.444 0.000 1.341) 1.413 7.956 ( -0.370 0.000 -0.564) 0.675 8.199 ( -2.255 0.000 0.301) 2.275 8.207 ( 5.899 0.000 0.002) 5.899 11.164 ( -0.471 0.000 0.916) 1.030 11.171 ( 0.424 0.000 0.762) 0.872 12.967 ( -0.035 0.000 0.192) 0.195 13.040 ( 3.225 0.000 -1.454) 3.538 16.426 ( -0.619 0.000 0.363) 0.717 16.445 ( 0.716 0.000 -0.077) 0.720 16.915 ( 0.598 0.000 0.836) 1.028 17.018 ( -0.943 0.000 -2.023) 2.232 17.158 ( 0.826 0.000 1.865) 2.040 17.244 ( -3.739 0.000 -0.569) 3.782 17.315 ( -0.821 0.000 2.882) 2.996 17.651 ( 0.291 0.000 -6.864) 6.870 17.918 ( 1.414 0.000 6.015) 6.179 18.178 ( -10.090 0.000 -2.029) 10.292 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.194 0.000 19.122) 19.123 0.743 ( 0.994 0.000 22.165) 22.187 1.332 ( 14.434 0.000 18.788) 23.693 1.469 ( 4.361 0.000 4.419) 6.208 1.508 ( -2.539 0.000 -15.917) 16.118 1.889 ( 1.108 0.000 -1.744) 2.066 1.939 ( -1.791 0.000 -3.013) 3.505 2.097 ( 1.988 0.000 -2.353) 3.081 2.116 ( 8.818 0.000 -1.709) 8.982 2.399 ( -1.873 0.000 7.265) 7.502 2.429 ( -2.350 0.000 4.491) 5.068 2.682 ( -2.949 0.000 0.443) 2.983 2.709 ( 4.273 0.000 -14.998) 15.595 2.895 ( 3.319 0.000 -7.869) 8.541 2.904 ( -0.662 0.000 0.203) 0.692 2.957 ( 2.320 0.000 -1.986) 3.054 3.131 ( 4.170 0.000 0.251) 4.177 3.204 ( -0.026 0.000 -2.317) 2.317 3.493 ( -3.064 0.000 4.275) 5.259 3.615 ( -2.873 0.000 -3.590) 4.598 3.744 ( 1.769 0.000 2.340) 2.933 3.801 ( 3.191 0.000 -7.393) 8.052 4.015 ( -2.581 0.000 2.798) 3.807 4.083 ( -4.443 0.000 0.862) 4.526 4.148 ( 2.468 0.000 -0.881) 2.621 4.217 ( -0.752 0.000 2.857) 2.954 4.650 ( -0.538 0.000 1.954) 2.027 4.715 ( -1.851 0.000 -2.262) 2.923 4.780 ( 0.961 0.000 0.625) 1.146 4.852 ( 2.957 0.000 0.661) 3.030 5.562 ( 0.329 0.000 4.690) 4.702 5.609 ( 0.626 0.000 0.053) 0.629 5.661 ( 2.318 0.000 -0.210) 2.327 5.789 ( 1.790 0.000 -0.821) 1.969 5.809 ( -0.097 0.000 -2.183) 2.185 5.847 ( 1.954 0.000 -0.797) 2.110 6.707 ( 1.627 0.000 0.132) 1.633 6.770 ( 3.964 0.000 -2.709) 4.801 7.336 ( -2.192 0.000 0.586) 2.269 7.346 ( -4.082 0.000 1.474) 4.340 7.396 ( 2.352 0.000 1.415) 2.744 7.444 ( 1.970 0.000 -0.116) 1.973 7.872 ( -1.485 0.000 1.928) 2.433 7.922 ( -2.366 0.000 -1.206) 2.655 8.146 ( -3.310 0.000 -1.140) 3.501 8.251 ( 0.667 0.000 1.157) 1.336 11.159 ( -1.160 0.000 0.727) 1.369 11.185 ( 0.037 0.000 0.969) 0.970 12.965 ( -0.517 0.000 0.296) 0.596 13.026 ( -1.251 0.000 -1.713) 2.121 16.422 ( -0.180 0.000 0.071) 0.194 16.464 ( 1.342 0.000 0.114) 1.347 16.948 ( 1.868 0.000 1.425) 2.350 16.988 ( 0.283 0.000 -2.155) 2.174 17.200 ( 1.055 0.000 1.735) 2.030 17.264 ( 5.126 0.000 -3.967) 6.481 17.335 ( -1.131 0.000 3.705) 3.874 17.574 ( -0.993 0.000 -5.962) 6.044 18.002 ( 0.768 0.000 6.543) 6.588 18.025 ( -7.626 0.000 1.386) 7.751 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 2.405 0.000 14.800) 14.994 1.023 ( 7.053 0.000 15.566) 17.089 1.289 ( -0.402 0.000 -18.108) 18.113 1.449 ( 6.176 0.000 -4.928) 7.901 1.810 ( 6.777 0.000 11.992) 13.775 1.896 ( -0.835 0.000 -0.355) 0.907 1.906 ( 1.840 0.000 -0.883) 2.041 2.170 ( 5.341 0.000 7.077) 8.867 2.255 ( 9.077 0.000 -2.640) 9.453 2.406 ( -4.016 0.000 2.237) 4.597 2.419 ( -2.844 0.000 3.265) 4.330 2.618 ( 5.135 0.000 -15.228) 16.071 2.660 ( -2.084 0.000 4.321) 4.797 2.897 ( 5.457 0.000 -5.904) 8.040 2.912 ( 1.294 0.000 1.373) 1.887 2.969 ( 1.665 0.000 -2.178) 2.741 3.162 ( 0.551 0.000 -0.365) 0.661 3.169 ( 0.235 0.000 -3.617) 3.625 3.498 ( -2.856 0.000 5.690) 6.367 3.540 ( -2.334 0.000 -1.903) 3.012 3.700 ( -4.220 0.000 -7.873) 8.933 3.775 ( -2.641 0.000 4.209) 4.969 4.018 ( 1.887 0.000 -0.169) 1.895 4.050 ( -0.323 0.000 0.787) 0.851 4.209 ( 3.512 0.000 1.849) 3.969 4.267 ( 2.234 0.000 1.309) 2.590 4.635 ( -2.667 0.000 1.017) 2.854 4.672 ( -0.478 0.000 -2.184) 2.236 4.819 ( 2.400 0.000 0.455) 2.442 4.928 ( 5.076 0.000 0.486) 5.100 5.612 ( -0.097 0.000 -0.704) 0.711 5.613 ( 0.140 0.000 3.587) 3.589 5.702 ( 2.583 0.000 0.031) 2.583 5.791 ( 0.277 0.000 -1.197) 1.228 5.824 ( 3.118 0.000 -0.640) 3.183 5.875 ( 2.298 0.000 -0.737) 2.413 6.738 ( 2.192 0.000 -0.254) 2.207 6.793 ( 2.637 0.000 -2.438) 3.591 7.304 ( -2.706 0.000 1.003) 2.886 7.327 ( -0.469 0.000 1.792) 1.853 7.455 ( 0.041 0.000 -1.244) 1.245 7.463 ( 3.377 0.000 1.354) 3.639 7.856 ( -2.792 0.000 1.771) 3.306 7.864 ( -2.324 0.000 -1.218) 2.624 8.079 ( -2.626 0.000 -1.461) 3.005 8.274 ( 0.553 0.000 1.207) 1.328 11.143 ( -1.490 0.000 0.419) 1.548 11.191 ( -0.329 0.000 0.567) 0.655 12.956 ( -0.805 0.000 0.205) 0.831 12.984 ( -1.749 0.000 -1.180) 2.110 16.422 ( 0.157 0.000 0.022) 0.159 16.486 ( 1.146 0.000 -0.081) 1.148 16.981 ( 1.587 0.000 -2.083) 2.619 17.002 ( 2.592 0.000 1.283) 2.892 17.213 ( -1.678 0.000 1.373) 2.169 17.287 ( 1.855 0.000 -2.371) 3.011 17.364 ( 0.510 0.000 2.542) 2.592 17.499 ( -1.102 0.000 -4.155) 4.298 17.933 ( -4.798 0.000 0.112) 4.799 18.086 ( 0.803 0.000 5.918) 5.973 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.542 0.000 10.218) 10.233 1.148 ( 4.896 0.000 -12.606) 13.523 1.280 ( 8.495 0.000 6.366) 10.615 1.512 ( 5.094 0.000 -1.160) 5.225 1.865 ( -2.878 0.000 0.252) 2.889 1.903 ( 0.160 0.000 2.071) 2.077 1.981 ( 3.553 0.000 4.511) 5.742 2.272 ( -5.787 0.000 3.867) 6.961 2.275 ( -0.161 0.000 -6.954) 6.955 2.409 ( 2.086 0.000 0.570) 2.163 2.429 ( 3.746 0.000 0.416) 3.769 2.562 ( 5.094 0.000 -10.140) 11.347 2.700 ( -1.572 0.000 6.981) 7.155 2.938 ( 4.567 0.000 -2.720) 5.316 2.972 ( 3.422 0.000 -3.948) 5.224 2.999 ( 4.404 0.000 4.948) 6.624 3.153 ( 1.569 0.000 -1.543) 2.200 3.159 ( -0.464 0.000 -0.471) 0.661 3.485 ( -3.456 0.000 -1.553) 3.789 3.517 ( -1.894 0.000 4.612) 4.986 3.549 ( -2.805 0.000 -4.319) 5.150 3.743 ( -6.265 0.000 3.814) 7.335 4.071 ( 5.266 0.000 -1.956) 5.618 4.076 ( 2.128 0.000 0.670) 2.231 4.280 ( 0.951 0.000 3.040) 3.185 4.296 ( 0.592 0.000 -0.518) 0.786 4.604 ( -2.328 0.000 1.770) 2.925 4.653 ( 0.087 0.000 -0.704) 0.710 4.858 ( 2.046 0.000 -0.223) 2.058 5.014 ( 4.754 0.000 -0.526) 4.783 5.596 ( -0.325 0.000 -1.080) 1.127 5.638 ( -0.683 0.000 1.829) 1.952 5.741 ( 1.591 0.000 0.358) 1.631 5.788 ( 0.304 0.000 -0.529) 0.610 5.868 ( 2.862 0.000 -0.860) 2.988 5.901 ( 2.067 0.000 -1.432) 2.514 6.773 ( 1.770 0.000 0.553) 1.854 6.814 ( 2.263 0.000 -1.043) 2.492 7.275 ( -1.654 0.000 0.328) 1.686 7.353 ( 0.282 0.000 2.405) 2.421 7.422 ( -0.850 0.000 -2.420) 2.565 7.526 ( 2.476 0.000 0.819) 2.608 7.823 ( -2.953 0.000 1.191) 3.184 7.832 ( -0.665 0.000 -0.180) 0.689 8.036 ( -1.220 0.000 -0.374) 1.276 8.291 ( 0.455 0.000 0.072) 0.461 11.121 ( -1.327 0.000 0.070) 1.328 11.186 ( -0.439 0.000 -0.339) 0.555 12.944 ( -0.691 0.000 0.024) 0.691 12.948 ( -1.250 0.000 -0.562) 1.371 16.427 ( 0.238 0.000 0.307) 0.389 16.499 ( 0.675 0.000 -0.346) 0.758 16.993 ( 2.409 0.000 -1.713) 2.956 17.052 ( 1.933 0.000 0.651) 2.040 17.184 ( -3.472 0.000 1.846) 3.932 17.283 ( -0.531 0.000 -0.296) 0.608 17.407 ( 1.396 0.000 2.655) 3.000 17.454 ( -0.325 0.000 -1.805) 1.834 17.862 ( -2.718 0.000 -1.707) 3.209 18.139 ( -0.287 0.000 2.257) 2.275 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -4.668 0.000 4.976) 6.823 1.208 ( 10.007 0.000 0.600) 10.025 1.426 ( 7.166 0.000 -3.194) 7.845 1.559 ( -3.478 0.000 3.913) 5.235 1.820 ( -0.700 0.000 -0.744) 1.021 1.923 ( -1.317 0.000 2.587) 2.903 2.074 ( -3.278 0.000 8.290) 8.915 2.177 ( -1.514 0.000 -2.446) 2.877 2.192 ( 1.088 0.000 -7.971) 8.045 2.438 ( 2.553 0.000 -0.679) 2.642 2.465 ( 0.010 0.000 -1.449) 1.449 2.564 ( 5.018 0.000 -6.207) 7.982 2.725 ( -3.717 0.000 4.816) 6.084 2.953 ( 0.303 0.000 -1.115) 1.156 3.017 ( 6.359 0.000 -4.919) 8.039 3.053 ( -3.495 0.000 -1.828) 3.944 3.158 ( 2.073 0.000 1.643) 2.645 3.194 ( 2.078 0.000 3.398) 3.983 3.436 ( 0.327 0.000 1.321) 1.360 3.524 ( -1.161 0.000 1.253) 1.709 3.539 ( 0.956 0.000 2.323) 2.512 3.663 ( -6.574 0.000 1.995) 6.870 4.123 ( 1.427 0.000 1.818) 2.312 4.129 ( 4.111 0.000 -2.509) 4.817 4.280 ( -0.016 0.000 -2.563) 2.563 4.290 ( -2.505 0.000 1.482) 2.911 4.608 ( -1.048 0.000 3.984) 4.120 4.660 ( 0.524 0.000 0.902) 1.044 4.882 ( 1.155 0.000 -0.259) 1.183 5.059 ( 1.848 0.000 -1.825) 2.597 5.588 ( 0.555 0.000 -0.423) 0.698 5.632 ( -1.257 0.000 0.158) 1.267 5.760 ( 0.223 0.000 0.375) 0.436 5.786 ( 0.075 0.000 -0.356) 0.363 5.893 ( 1.456 0.000 -1.374) 2.002 5.910 ( 1.274 0.000 -2.145) 2.495 6.804 ( 0.446 0.000 1.440) 1.507 6.845 ( 1.615 0.000 0.520) 1.697 7.256 ( -0.745 0.000 -0.102) 0.752 7.345 ( -1.527 0.000 -1.550) 2.176 7.427 ( 1.665 0.000 1.911) 2.535 7.556 ( 0.452 0.000 0.025) 0.452 7.792 ( -1.746 0.000 0.658) 1.866 7.826 ( -0.237 0.000 -0.046) 0.242 8.033 ( 0.132 0.000 1.585) 1.590 8.287 ( -0.106 0.000 -1.492) 1.496 11.104 ( -0.593 0.000 -0.135) 0.608 11.171 ( -0.226 0.000 -1.300) 1.319 12.932 ( -0.253 0.000 -0.008) 0.253 12.936 ( -0.240 0.000 -0.033) 0.242 16.435 ( 0.037 0.000 0.700) 0.701 16.502 ( 0.324 0.000 -0.543) 0.632 17.027 ( 3.170 0.000 -0.715) 3.250 17.077 ( 0.481 0.000 0.253) 0.543 17.150 ( -3.282 0.000 2.717) 4.261 17.261 ( -1.346 0.000 -0.861) 1.598 17.450 ( 0.773 0.000 0.509) 0.925 17.471 ( 1.016 0.000 5.431) 5.525 17.807 ( -0.445 0.000 -3.545) 3.573 18.117 ( -1.843 0.000 -3.072) 3.583 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -10.666 0.000 1.571) 10.781 1.403 ( -14.657 0.000 3.452) 15.058 1.448 ( 9.973 0.000 10.097) 14.192 1.504 ( 4.101 0.000 -5.619) 6.957 1.825 ( -0.078 0.000 -1.408) 1.410 1.919 ( -1.796 0.000 2.598) 3.158 2.034 ( -2.533 0.000 0.370) 2.559 2.142 ( 3.236 0.000 -8.169) 8.786 2.201 ( -2.658 0.000 4.732) 5.427 2.384 ( -4.817 0.000 -5.245) 7.121 2.481 ( 0.717 0.000 0.544) 0.900 2.593 ( 7.136 0.000 -4.934) 8.676 2.694 ( -4.192 0.000 4.045) 5.825 2.938 ( 0.152 0.000 -2.165) 2.171 2.944 ( -4.121 0.000 -2.819) 4.993 3.054 ( 3.423 0.000 -3.250) 4.720 3.235 ( 2.145 0.000 5.406) 5.816 3.255 ( -0.904 0.000 3.526) 3.640 3.491 ( 3.104 0.000 1.929) 3.655 3.521 ( 0.402 0.000 0.168) 0.436 3.588 ( -3.461 0.000 0.737) 3.539 3.592 ( 1.790 0.000 1.429) 2.290 4.144 ( -2.034 0.000 2.085) 2.913 4.145 ( -0.074 0.000 -1.068) 1.071 4.249 ( -2.460 0.000 -0.443) 2.500 4.264 ( 1.791 0.000 -1.830) 2.560 4.639 ( -0.902 0.000 3.857) 3.961 4.687 ( 0.888 0.000 1.797) 2.005 4.890 ( -0.586 0.000 0.670) 0.890 5.031 ( -1.841 0.000 -3.151) 3.649 5.602 ( -1.699 0.000 -1.148) 2.050 5.605 ( 1.298 0.000 0.461) 1.378 5.758 ( -0.757 0.000 0.248) 0.797 5.784 ( 0.170 0.000 -0.267) 0.316 5.885 ( -0.380 0.000 -1.680) 1.723 5.897 ( 0.089 0.000 -2.160) 2.162 6.816 ( -1.071 0.000 1.578) 1.907 6.874 ( 0.618 0.000 1.171) 1.324 7.249 ( 0.021 0.000 0.118) 0.120 7.304 ( -0.989 0.000 -1.724) 1.987 7.479 ( 1.112 0.000 2.528) 2.761 7.540 ( -1.810 0.000 -0.779) 1.970 7.784 ( 0.040 0.000 0.505) 0.507 7.825 ( 0.523 0.000 -0.139) 0.541 8.070 ( 0.897 0.000 3.209) 3.332 8.255 ( -0.731 0.000 -2.986) 3.074 11.101 ( 0.351 0.000 -0.066) 0.357 11.154 ( 0.241 0.000 -1.782) 1.799 12.936 ( 0.259 0.000 -0.021) 0.260 12.938 ( 0.801 0.000 0.056) 0.803 16.442 ( -0.320 0.000 0.923) 0.977 16.498 ( 0.014 0.000 -0.715) 0.716 17.071 ( 1.408 0.000 0.264) 1.432 17.071 ( -1.485 0.000 -0.216) 1.501 17.144 ( -0.548 0.000 3.006) 3.055 17.227 ( -0.523 0.000 -1.727) 1.805 17.491 ( 2.066 0.000 2.695) 3.396 17.557 ( -0.278 0.000 9.063) 9.068 17.771 ( 1.820 0.000 -5.234) 5.541 18.019 ( -2.670 0.000 -7.301) 7.774 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -14.880 0.000 1.929) 15.004 1.119 ( -20.590 0.000 0.695) 20.601 1.521 ( 2.933 0.000 -3.146) 4.301 1.669 ( -16.193 0.000 -5.194) 17.006 1.695 ( 4.373 0.000 10.600) 11.467 1.942 ( 0.202 0.000 4.236) 4.241 2.041 ( 2.544 0.000 -0.285) 2.560 2.123 ( 5.249 0.000 -7.473) 9.132 2.144 ( -7.161 0.000 5.116) 8.800 2.255 ( -3.160 0.000 -6.079) 6.852 2.440 ( -4.724 0.000 -1.130) 4.858 2.696 ( 10.165 0.000 -5.471) 11.544 2.717 ( -0.640 0.000 7.398) 7.425 2.878 ( -1.261 0.000 -1.313) 1.820 2.919 ( 0.315 0.000 -1.360) 1.396 3.066 ( 1.560 0.000 -1.486) 2.155 3.233 ( -2.794 0.000 -0.430) 2.827 3.335 ( 0.303 0.000 8.798) 8.803 3.511 ( -2.835 0.000 2.308) 3.656 3.562 ( 5.331 0.000 -5.134) 7.401 3.599 ( 3.309 0.000 -0.514) 3.349 3.610 ( 0.241 0.000 1.067) 1.094 4.102 ( -4.135 0.000 0.185) 4.139 4.111 ( -2.015 0.000 -0.548) 2.088 4.217 ( -0.622 0.000 -0.417) 0.748 4.298 ( 0.917 0.000 3.093) 3.226 4.654 ( -1.064 0.000 1.876) 2.156 4.725 ( 1.059 0.000 1.987) 2.251 4.874 ( -2.888 0.000 1.550) 3.277 4.938 ( -4.102 0.000 -4.075) 5.782 5.554 ( -2.121 0.000 -1.479) 2.586 5.634 ( 0.849 0.000 1.093) 1.385 5.739 ( -1.872 0.000 0.222) 1.885 5.789 ( 0.563 0.000 0.132) 0.578 5.849 ( -1.344 0.000 -1.959) 2.376 5.871 ( -0.531 0.000 -1.743) 1.822 6.799 ( -2.657 0.000 0.859) 2.792 6.889 ( 0.066 0.000 0.543) 0.547 7.259 ( 0.397 0.000 0.984) 1.061 7.282 ( 0.183 0.000 -0.853) 0.872 7.485 ( -3.265 0.000 -1.155) 3.463 7.508 ( -0.584 0.000 1.683) 1.781 7.801 ( 1.094 0.000 0.704) 1.300 7.849 ( 2.245 0.000 0.285) 2.263 8.126 ( 1.087 0.000 3.759) 3.913 8.201 ( -0.952 0.000 -4.110) 4.218 11.113 ( 0.953 0.000 0.244) 0.983 11.143 ( 0.723 0.000 -1.548) 1.708 12.943 ( 0.583 0.000 -0.036) 0.584 12.955 ( 1.421 0.000 -0.581) 1.536 16.444 ( -0.670 0.000 0.950) 1.162 16.486 ( -0.423 0.000 -0.905) 0.999 17.021 ( -3.181 0.000 -1.233) 3.411 17.069 ( -1.567 0.000 0.803) 1.760 17.190 ( 1.235 0.000 2.189) 2.514 17.220 ( 1.305 0.000 -0.844) 1.554 17.576 ( 3.418 0.000 4.286) 5.482 17.650 ( -0.912 0.000 8.707) 8.755 17.758 ( 2.679 0.000 -2.779) 3.860 17.888 ( -1.857 0.000 -8.952) 9.143 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -17.029 0.000 7.424) 18.577 0.743 ( -21.627 0.000 -5.481) 22.311 1.239 ( -31.630 0.000 4.916) 32.010 1.529 ( 0.730 0.000 -1.367) 1.550 1.805 ( 0.538 0.000 3.273) 3.317 1.983 ( 0.118 0.000 0.762) 0.771 2.050 ( -0.338 0.000 -4.377) 4.390 2.130 ( -2.703 0.000 3.826) 4.684 2.173 ( 1.152 0.000 0.157) 1.162 2.179 ( 5.283 0.000 1.102) 5.396 2.318 ( -6.105 0.000 -3.792) 7.187 2.774 ( 7.836 0.000 -7.903) 11.129 2.788 ( -0.408 0.000 4.439) 4.458 2.871 ( 0.955 0.000 0.846) 1.276 2.922 ( 0.104 0.000 0.521) 0.531 3.093 ( 2.486 0.000 0.424) 2.522 3.176 ( -1.526 0.000 -2.825) 3.211 3.438 ( -1.330 0.000 11.645) 11.721 3.477 ( 0.251 0.000 -16.817) 16.819 3.505 ( -0.893 0.000 2.409) 2.569 3.629 ( 1.654 0.000 -2.422) 2.933 3.676 ( 2.609 0.000 2.843) 3.859 4.035 ( -3.414 0.000 0.310) 3.428 4.084 ( 0.488 0.000 -1.557) 1.631 4.212 ( -1.040 0.000 1.462) 1.794 4.359 ( -0.162 0.000 7.487) 7.489 4.642 ( -1.616 0.000 0.010) 1.616 4.757 ( -0.190 0.000 1.710) 1.720 4.831 ( -2.437 0.000 -3.847) 4.554 4.833 ( -3.818 0.000 1.799) 4.221 5.507 ( -2.171 0.000 -0.290) 2.190 5.646 ( -1.168 0.000 1.316) 1.759 5.701 ( -2.727 0.000 0.086) 2.728 5.798 ( -0.596 0.000 -0.258) 0.649 5.818 ( 1.252 0.000 -1.420) 1.893 5.848 ( -0.263 0.000 -0.948) 0.984 6.750 ( -3.446 0.000 0.013) 3.446 6.883 ( -0.106 0.000 -2.402) 2.404 7.287 ( 0.691 0.000 3.155) 3.230 7.295 ( 1.846 0.000 0.209) 1.857 7.418 ( -3.166 0.000 -0.546) 3.212 7.495 ( -2.363 0.000 0.617) 2.442 7.829 ( 1.028 0.000 0.911) 1.374 7.899 ( 2.993 0.000 0.430) 3.024 8.138 ( -0.850 0.000 -4.725) 4.801 8.180 ( 0.673 0.000 3.198) 3.268 11.135 ( 0.940 0.000 0.643) 1.139 11.145 ( 0.940 0.000 -0.753) 1.205 12.953 ( 0.636 0.000 -0.040) 0.637 12.967 ( 1.143 0.000 -1.503) 1.888 16.441 ( -0.908 0.000 0.860) 1.251 16.465 ( -0.755 0.000 -0.961) 1.222 16.956 ( -2.721 0.000 -1.072) 2.924 17.052 ( -1.140 0.000 0.616) 1.296 17.202 ( -1.937 0.000 0.763) 2.082 17.245 ( 1.859 0.000 0.203) 1.870 17.658 ( 1.752 0.000 -8.811) 8.983 17.689 ( 4.078 0.000 4.066) 5.759 17.784 ( 0.510 0.000 -7.203) 7.221 17.860 ( 0.521 0.000 17.144) 17.152 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( -17.867 0.000 3.964) 18.301 0.425 ( -15.019 0.000 17.972) 23.422 0.841 ( -33.481 0.000 26.101) 42.452 1.511 ( -0.115 0.000 -2.894) 2.897 1.800 ( -0.261 0.000 -4.723) 4.730 1.971 ( 0.368 0.000 -2.086) 2.118 1.976 ( -0.993 0.000 -4.082) 4.201 2.130 ( 0.630 0.000 -0.659) 0.912 2.177 ( -4.293 0.000 -5.401) 6.900 2.263 ( 1.806 0.000 8.245) 8.441 2.287 ( 2.125 0.000 6.640) 6.972 2.786 ( -1.486 0.000 -1.070) 1.831 2.795 ( 5.546 0.000 -8.372) 10.042 2.904 ( 0.423 0.000 0.757) 0.867 2.927 ( 0.045 0.000 0.448) 0.450 3.081 ( -1.974 0.000 -4.849) 5.236 3.158 ( -12.615 0.000 -20.347) 23.940 3.176 ( 3.917 0.000 -1.280) 4.121 3.521 ( -0.205 0.000 0.605) 0.639 3.573 ( 1.376 0.000 11.944) 12.023 3.622 ( 1.434 0.000 -0.954) 1.723 3.732 ( 1.610 0.000 0.685) 1.749 4.008 ( -1.190 0.000 1.482) 1.901 4.093 ( 1.785 0.000 -0.996) 2.043 4.201 ( -2.493 0.000 1.342) 2.831 4.455 ( 2.683 0.000 0.859) 2.817 4.612 ( -1.247 0.000 -0.029) 1.247 4.771 ( 1.635 0.000 4.892) 5.158 4.797 ( -2.546 0.000 1.580) 2.997 4.806 ( 1.581 0.000 -1.744) 2.354 5.486 ( -1.375 0.000 2.261) 2.647 5.626 ( -2.233 0.000 0.774) 2.364 5.660 ( -1.966 0.000 -0.108) 1.969 5.783 ( 0.358 0.000 -1.330) 1.378 5.836 ( 1.239 0.000 -0.705) 1.426 5.843 ( 0.092 0.000 -0.143) 0.170 6.700 ( -2.238 0.000 0.157) 2.243 6.791 ( -5.009 0.000 -8.151) 9.567 7.341 ( 2.886 0.000 0.623) 2.952 7.350 ( 0.194 0.000 1.350) 1.364 7.412 ( 3.245 0.000 5.078) 6.026 7.448 ( -3.428 0.000 -0.164) 3.432 7.847 ( 0.266 0.000 0.025) 0.267 7.945 ( 1.871 0.000 0.080) 1.873 8.090 ( 0.826 0.000 0.027) 0.827 8.211 ( -0.537 0.000 1.887) 1.962 11.155 ( 0.364 0.000 0.908) 0.978 11.156 ( 0.779 0.000 0.153) 0.794 12.962 ( 0.403 0.000 0.037) 0.405 12.970 ( 1.142 0.000 0.914) 1.463 16.434 ( -0.911 0.000 0.667) 1.129 16.446 ( -0.340 0.000 -0.615) 0.703 16.916 ( -1.211 0.000 -0.175) 1.224 17.044 ( -0.329 0.000 -0.391) 0.511 17.160 ( -2.684 0.000 0.488) 2.728 17.279 ( 1.292 0.000 1.020) 1.646 17.501 ( -6.889 0.000 -14.715) 16.247 17.710 ( 1.816 0.000 -7.220) 7.445 17.819 ( 2.759 0.000 5.517) 6.168 18.145 ( 9.228 0.000 15.638) 18.158 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 1.252 3.921 18.964) 19.405 0.610 ( 0.068 9.838 19.180) 21.556 1.007 ( -5.755 14.078 27.993) 31.858 1.473 ( 0.071 0.493 -3.838) 3.870 1.697 ( -1.005 -0.028 -10.945) 10.991 1.879 ( 0.057 -4.174 -0.644) 4.224 1.981 ( 4.571 -2.406 -1.397) 5.351 2.014 ( -4.328 -2.134 -3.497) 5.960 2.081 ( 0.724 -3.219 -3.923) 5.126 2.338 ( 0.252 -1.363 6.125) 6.279 2.388 ( -1.036 0.655 5.440) 5.577 2.660 ( -1.649 -4.412 -0.187) 4.714 2.854 ( 2.925 5.018 -10.047) 11.605 2.896 ( 0.393 0.359 -0.559) 0.772 2.952 ( 0.063 -1.325 -5.102) 5.272 2.998 ( -1.242 2.438 -2.973) 4.041 3.049 ( 3.820 2.510 0.357) 4.584 3.297 ( 2.071 7.314 -5.180) 9.198 3.507 ( -0.788 0.087 0.968) 1.251 3.590 ( 1.379 -5.816 2.507) 6.482 3.697 ( -0.593 -1.058 -2.110) 2.434 3.778 ( 4.998 1.032 -0.808) 5.167 4.026 ( -1.829 1.025 1.396) 2.519 4.086 ( 0.989 -1.890 0.076) 2.135 4.115 ( -1.777 -4.643 -0.035) 4.971 4.240 ( -7.385 -5.560 2.228) 9.509 4.640 ( 0.758 2.083 1.036) 2.447 4.743 ( -0.853 -0.070 0.358) 0.927 4.806 ( -1.813 -0.160 0.514) 1.891 4.821 ( 1.266 0.548 -0.753) 1.571 5.529 ( -0.395 1.585 3.902) 4.230 5.614 ( -0.078 0.536 0.501) 0.738 5.637 ( 0.910 0.166 -0.451) 1.029 5.782 ( -0.042 -0.048 -0.582) 0.586 5.813 ( -0.011 -1.452 -1.812) 2.322 5.829 ( -0.471 -0.592 -0.991) 1.247 6.688 ( -0.041 0.119 0.456) 0.473 6.708 ( 2.246 -0.331 0.139) 2.274 7.318 ( 0.066 -2.059 1.055) 2.314 7.360 ( -0.477 -1.640 1.008) 1.984 7.384 ( -1.151 -0.810 0.913) 1.678 7.432 ( -0.874 0.654 -0.461) 1.185 7.864 ( 0.170 0.165 1.503) 1.522 7.944 ( -0.442 -1.125 0.040) 1.209 8.144 ( 1.426 0.581 1.702) 2.295 8.332 ( -0.132 3.356 -5.378) 6.341 11.169 ( -0.318 0.387 0.959) 1.082 11.174 ( 0.432 0.307 0.754) 0.921 12.978 ( -0.187 0.939 -0.010) 0.958 13.060 ( 2.143 0.870 -2.277) 3.246 16.423 ( -0.518 -0.376 0.305) 0.709 16.440 ( 0.652 -0.468 -0.122) 0.812 16.930 ( 0.448 1.612 0.797) 1.853 17.030 ( -0.696 1.016 -1.869) 2.238 17.192 ( 2.642 2.095 -0.628) 3.430 17.240 ( -3.928 -0.389 -0.475) 3.975 17.331 ( -0.567 1.675 2.608) 3.152 17.627 ( -0.074 -2.275 -5.280) 5.750 17.899 ( 0.959 -1.351 6.174) 6.393 18.073 ( -5.251 -6.275 3.560) 8.923 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 3.424 4.790 16.224) 17.259 0.849 ( 3.187 9.330 17.816) 20.362 1.336 ( 10.364 -0.426 8.617) 13.485 1.472 ( 1.865 1.615 -0.701) 2.564 1.551 ( 0.451 3.151 -4.413) 5.442 1.879 ( 1.147 -1.559 -0.576) 2.020 1.915 ( -3.197 -2.469 -2.779) 4.903 2.066 ( 3.587 -3.036 -1.419) 4.909 2.087 ( 8.139 -2.553 -2.382) 8.856 2.404 ( -1.897 -2.742 4.407) 5.526 2.410 ( -1.430 0.588 6.157) 6.349 2.620 ( -1.949 -2.985 -1.209) 3.764 2.777 ( 2.074 4.848 -11.102) 12.290 2.858 ( -0.209 -1.536 -4.261) 4.535 2.919 ( 2.256 1.301 -3.202) 4.128 2.997 ( 1.116 2.259 0.382) 2.549 3.123 ( 2.017 -0.704 1.020) 2.368 3.269 ( 1.638 5.584 -5.434) 7.962 3.498 ( -3.009 0.467 3.793) 4.864 3.592 ( -1.911 -3.247 -1.861) 4.202 3.674 ( -0.966 -5.108 0.920) 5.279 3.812 ( 2.408 -0.309 -4.785) 5.365 3.995 ( -1.670 -1.059 0.755) 2.117 4.091 ( -3.032 0.295 1.571) 3.427 4.132 ( 3.098 -1.742 -0.800) 3.643 4.192 ( 1.129 -2.015 2.111) 3.130 4.664 ( -0.245 1.548 1.343) 2.064 4.729 ( -0.536 1.671 -1.450) 2.277 4.789 ( 0.478 0.690 0.028) 0.840 4.855 ( 2.858 0.294 0.841) 2.993 5.575 ( 0.663 0.521 3.862) 3.953 5.627 ( 0.756 1.494 0.451) 1.734 5.661 ( 1.705 0.368 0.125) 1.749 5.784 ( 0.762 -1.487 -2.954) 3.394 5.789 ( 0.547 -0.390 0.222) 0.707 5.828 ( 1.432 -1.475 -0.488) 2.113 6.706 ( 1.609 -0.039 0.114) 1.613 6.761 ( 3.837 -0.783 -1.765) 4.295 7.314 ( -1.444 -1.162 0.652) 1.965 7.346 ( -3.064 -0.511 1.371) 3.395 7.387 ( 2.606 -0.627 0.306) 2.698 7.448 ( 1.728 0.090 0.037) 1.731 7.873 ( -1.540 0.091 2.031) 2.550 7.916 ( -2.381 -0.555 -0.599) 2.517 8.159 ( -1.649 1.297 -0.245) 2.112 8.268 ( -1.060 1.116 -1.193) 1.947 11.164 ( -1.170 0.480 0.712) 1.451 11.189 ( 0.054 0.322 0.924) 0.980 12.972 ( -0.696 0.760 0.273) 1.066 13.038 ( -1.244 0.784 -1.845) 2.359 16.420 ( -0.030 -0.183 0.047) 0.191 16.458 ( 1.373 -0.583 0.056) 1.493 16.955 ( 1.126 0.913 1.232) 1.903 17.003 ( 0.354 1.400 -1.824) 2.327 17.222 ( 1.347 1.690 1.112) 2.430 17.260 ( 4.894 -0.434 -3.627) 6.107 17.350 ( -1.089 1.489 3.506) 3.961 17.559 ( -1.136 -1.407 -5.162) 5.469 17.971 ( -1.350 -2.657 5.610) 6.352 18.003 ( -4.162 -1.982 2.323) 5.162 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 4.492 5.053 12.390) 14.114 1.098 ( 6.656 6.949 12.173) 15.517 1.304 ( 0.215 1.908 -17.446) 17.551 1.443 ( 5.699 -0.648 -3.659) 6.804 1.788 ( 4.249 -3.368 10.893) 12.168 1.855 ( -1.065 -2.595 -0.425) 2.837 1.897 ( 2.876 -2.420 -1.941) 4.230 2.132 ( 3.244 -4.370 0.854) 5.510 2.235 ( 8.913 -0.891 2.978) 9.440 2.394 ( -2.311 -0.071 3.237) 3.978 2.447 ( -1.737 0.621 3.131) 3.634 2.579 ( 0.223 -2.033 -3.697) 4.225 2.696 ( 1.112 3.641 -6.665) 7.676 2.847 ( 1.032 -2.840 0.597) 3.080 2.940 ( 4.407 2.978 -2.779) 6.001 3.024 ( 2.261 3.105 -0.876) 3.940 3.132 ( 0.259 -1.072 -1.493) 1.856 3.241 ( 1.168 4.846 -3.571) 6.132 3.493 ( -3.125 -0.363 4.859) 5.789 3.540 ( -1.474 -0.518 -1.492) 2.161 3.631 ( -4.759 -5.903 -1.367) 7.705 3.772 ( -2.297 -0.971 -1.328) 2.825 4.006 ( 2.629 -0.760 -0.217) 2.745 4.061 ( -0.211 0.504 -0.018) 0.547 4.193 ( 3.379 -1.287 0.710) 3.685 4.262 ( 2.885 -0.444 2.228) 3.673 4.653 ( -2.023 1.783 0.550) 2.752 4.698 ( -0.784 2.380 -1.664) 3.007 4.821 ( 2.835 0.331 -0.076) 2.855 4.928 ( 4.591 -0.055 0.486) 4.617 5.623 ( 0.643 0.462 1.349) 1.564 5.639 ( -0.225 2.289 1.612) 2.808 5.690 ( 1.559 -0.638 0.234) 1.701 5.766 ( 0.850 -2.393 -2.003) 3.234 5.820 ( 2.260 -0.314 0.233) 2.294 5.859 ( 2.588 -1.280 -0.581) 2.945 6.739 ( 2.295 0.104 -0.132) 2.301 6.792 ( 2.752 -0.154 -2.145) 3.493 7.295 ( -1.785 -0.677 0.514) 1.977 7.326 ( -0.865 -0.251 1.460) 1.715 7.433 ( 2.187 -1.037 -1.029) 2.630 7.479 ( 1.711 0.415 1.113) 2.083 7.853 ( -2.879 -0.119 0.872) 3.011 7.867 ( -2.441 0.045 0.055) 2.442 8.102 ( -2.533 2.169 -1.724) 3.754 8.273 ( 0.404 -0.236 1.195) 1.283 11.148 ( -1.446 0.511 0.362) 1.576 11.194 ( -0.387 0.222 0.524) 0.688 12.960 ( -0.941 0.526 0.202) 1.097 12.994 ( -1.760 0.876 -1.212) 2.309 16.423 ( 0.318 0.064 -0.012) 0.325 16.481 ( 1.252 -0.548 -0.135) 1.373 16.978 ( 0.869 0.008 -0.438) 0.973 17.014 ( 2.154 1.118 -0.066) 2.428 17.238 ( -1.103 2.132 0.455) 2.444 17.293 ( 3.440 0.502 -2.268) 4.151 17.375 ( -0.206 1.301 3.061) 3.332 17.488 ( -1.275 -1.069 -3.783) 4.133 17.921 ( -4.231 -1.120 0.425) 4.397 18.053 ( 0.601 -3.241 5.140) 6.106 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 2.399 5.151 7.683) 9.556 1.171 ( 4.527 2.794 -11.673) 12.828 1.309 ( 8.442 2.442 2.341) 9.094 1.510 ( 3.331 0.263 1.800) 3.796 1.828 ( -1.765 -4.206 1.876) 4.932 1.853 ( -0.596 -3.346 1.094) 3.571 2.000 ( 5.098 -1.538 3.936) 6.622 2.114 ( -3.618 -7.842 -1.790) 8.820 2.353 ( -0.353 -0.235 1.006) 1.092 2.409 ( -1.672 1.209 -4.990) 5.399 2.441 ( 4.402 1.318 1.249) 4.761 2.553 ( 2.102 -0.419 -3.279) 3.917 2.691 ( 0.762 1.360 1.557) 2.203 2.886 ( 0.943 -4.027 2.251) 4.709 3.013 ( 6.976 5.049 -1.868) 8.811 3.061 ( 2.720 3.194 0.766) 4.265 3.126 ( 1.625 -0.637 -2.136) 2.758 3.238 ( 1.045 4.936 -0.345) 5.057 3.477 ( -4.279 -1.029 -0.726) 4.460 3.516 ( -1.849 -0.109 1.806) 2.587 3.524 ( -2.214 -2.312 -0.767) 3.292 3.715 ( -5.352 -2.633 2.080) 6.317 4.068 ( 5.190 -0.261 -1.210) 5.336 4.086 ( 2.633 0.651 0.336) 2.733 4.233 ( 0.452 -2.521 0.104) 2.564 4.319 ( 0.732 0.617 2.239) 2.435 4.625 ( -1.883 1.955 0.995) 2.891 4.677 ( -0.195 2.252 -0.471) 2.309 4.868 ( 2.666 0.991 -0.220) 2.853 5.004 ( 4.266 -0.991 -0.587) 4.418 5.616 ( -0.341 1.949 -1.064) 2.247 5.659 ( -0.787 1.722 1.792) 2.606 5.717 ( 1.303 -2.061 0.161) 2.444 5.767 ( 0.907 -2.247 -0.865) 2.573 5.860 ( 2.291 -0.602 -0.236) 2.381 5.890 ( 2.104 -1.008 -1.214) 2.630 6.777 ( 1.859 0.355 0.580) 1.979 6.815 ( 2.223 0.037 -1.066) 2.466 7.270 ( -1.310 -0.402 -0.068) 1.372 7.343 ( 0.260 -0.939 1.897) 2.132 7.427 ( -0.036 0.536 -1.891) 1.966 7.527 ( 2.007 -0.015 1.002) 2.244 7.817 ( -2.050 -0.320 0.611) 2.163 7.834 ( -1.820 0.009 0.359) 1.855 8.057 ( -1.190 2.157 -0.531) 2.520 8.288 ( 0.222 -0.384 0.360) 0.572 11.127 ( -1.216 0.580 -0.009) 1.347 11.187 ( -0.526 0.083 -0.315) 0.619 12.947 ( -0.757 0.414 0.002) 0.863 12.959 ( -1.266 0.836 -0.544) 1.612 16.430 ( 0.364 0.257 0.241) 0.506 16.495 ( 0.792 -0.413 -0.386) 0.973 16.987 ( 1.222 -0.488 -0.811) 1.546 17.052 ( 1.660 0.262 0.645) 1.800 17.207 ( -2.459 1.837 0.201) 3.076 17.320 ( 0.551 3.588 0.438) 3.657 17.410 ( 0.934 0.265 2.194) 2.399 17.445 ( -0.255 -0.773 -1.224) 1.470 17.859 ( -2.479 -0.292 -1.508) 2.916 18.098 ( -0.128 -4.041 1.761) 4.410 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -3.189 5.946 3.225) 7.479 1.225 ( 9.098 1.812 0.529) 9.292 1.423 ( 8.127 -0.696 -5.995) 10.123 1.560 ( -4.464 0.472 6.437) 7.848 1.809 ( 0.175 -1.266 -0.631) 1.425 1.886 ( -1.444 -3.248 5.862) 6.856 2.022 ( -2.710 -8.082 -3.056) 9.055 2.101 ( -0.165 -1.657 5.455) 5.704 2.274 ( -1.338 3.232 -8.185) 8.902 2.385 ( 2.405 -2.807 -0.794) 3.781 2.492 ( 2.229 -0.232 -1.608) 2.759 2.547 ( 0.278 0.359 -2.815) 2.851 2.715 ( -1.056 0.867 1.331) 1.907 2.899 ( -0.536 -4.105 -0.529) 4.174 3.068 ( 1.152 2.706 -3.656) 4.692 3.100 ( 1.987 4.819 -1.154) 5.339 3.173 ( 3.787 1.333 2.792) 4.891 3.264 ( 0.807 5.275 1.699) 5.600 3.420 ( -0.024 -1.531 1.557) 2.184 3.496 ( -3.027 -1.941 2.784) 4.548 3.541 ( 1.989 -0.450 0.528) 2.106 3.641 ( -5.445 -2.082 1.390) 5.993 4.132 ( 3.890 0.371 -1.864) 4.329 4.140 ( 1.892 1.586 1.879) 3.103 4.217 ( -1.041 -3.525 -1.103) 3.837 4.325 ( -1.793 0.905 0.635) 2.106 4.624 ( -0.695 1.635 2.800) 3.316 4.682 ( 0.371 2.026 1.054) 2.313 4.899 ( 1.314 1.687 -0.117) 2.141 5.046 ( 1.783 -1.322 -1.521) 2.691 5.605 ( 0.449 1.668 -0.844) 1.922 5.648 ( -1.299 1.338 -0.419) 1.911 5.733 ( 0.257 -2.496 0.311) 2.529 5.772 ( 0.444 -1.597 -0.349) 1.694 5.880 ( 0.832 -0.884 -1.241) 1.736 5.904 ( 1.398 -0.645 -1.341) 2.042 6.806 ( 0.416 0.245 1.162) 1.259 6.844 ( 1.583 -0.075 0.455) 1.649 7.253 ( -0.416 -0.121 -0.206) 0.480 7.346 ( -1.199 -0.112 -0.569) 1.332 7.431 ( 1.464 0.449 1.111) 1.892 7.554 ( 0.280 -0.284 0.106) 0.413 7.793 ( -1.611 0.091 0.671) 1.748 7.819 ( -0.379 -0.672 -0.075) 0.775 8.053 ( 0.156 1.991 1.309) 2.388 8.283 ( -0.317 -0.442 -1.193) 1.311 11.111 ( -0.496 0.684 -0.185) 0.865 11.172 ( -0.273 0.036 -1.212) 1.243 12.939 ( -0.076 0.596 0.022) 0.601 12.942 ( -0.426 0.602 -0.050) 0.739 16.439 ( 0.101 0.321 0.591) 0.680 16.500 ( 0.392 -0.285 -0.561) 0.742 17.006 ( 1.456 -1.411 0.140) 2.032 17.076 ( 0.168 -0.098 0.868) 0.890 17.178 ( -1.166 2.556 0.819) 2.926 17.313 ( -1.341 4.732 -0.436) 4.938 17.440 ( 0.719 -0.996 1.403) 1.865 17.472 ( 1.001 0.159 4.394) 4.509 17.807 ( -0.496 0.003 -3.464) 3.500 18.078 ( -1.501 -3.907 -3.089) 5.201 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -9.606 6.210 -0.129) 11.440 1.400 ( -4.481 0.377 6.123) 7.597 1.469 ( 4.961 -0.003 -2.678) 5.637 1.514 ( 1.077 2.492 4.685) 5.414 1.825 ( 1.131 -0.460 -0.913) 1.524 1.880 ( -6.046 -3.656 3.755) 8.001 1.982 ( 2.501 -3.692 -3.748) 5.825 2.126 ( -3.745 -7.227 5.439) 9.789 2.201 ( 2.289 3.447 -6.424) 7.641 2.367 ( -3.651 -0.954 -4.829) 6.129 2.494 ( -1.317 0.831 -0.556) 1.653 2.544 ( 4.656 -3.872 -1.419) 6.220 2.684 ( -1.568 0.252 0.380) 1.633 2.872 ( -1.082 -2.755 -1.490) 3.314 3.018 ( -2.421 3.628 -2.195) 4.883 3.118 ( 3.150 5.077 -2.712) 6.561 3.246 ( -0.889 1.351 4.182) 4.484 3.303 ( -0.104 3.416 4.154) 5.380 3.472 ( 1.118 -3.431 0.755) 3.687 3.486 ( 0.906 -0.918 2.684) 2.978 3.572 ( -1.284 -1.492 0.266) 1.986 3.602 ( 2.137 0.255 0.496) 2.209 4.124 ( -2.716 -0.798 -0.850) 2.955 4.168 ( -0.644 0.952 1.042) 1.551 4.218 ( 1.070 -1.016 0.306) 1.507 4.292 ( -0.964 1.188 -0.725) 1.693 4.650 ( -0.465 1.214 3.087) 3.350 4.708 ( 0.773 1.862 1.772) 2.684 4.908 ( -0.724 1.754 0.692) 2.019 5.024 ( -1.674 -0.682 -2.633) 3.194 5.610 ( -0.547 0.962 -1.340) 1.738 5.615 ( 0.336 0.636 -0.704) 1.006 5.732 ( -0.714 -2.383 0.305) 2.506 5.774 ( 0.261 -1.236 -0.310) 1.301 5.863 ( -0.948 -1.174 -1.394) 2.054 5.904 ( 0.246 0.044 -1.391) 1.413 6.815 ( -1.088 -0.074 1.336) 1.725 6.871 ( 0.519 -0.358 0.934) 1.127 7.253 ( 0.328 0.452 0.346) 0.657 7.312 ( -1.186 0.706 -1.434) 1.990 7.477 ( 1.160 -0.282 2.319) 2.608 7.537 ( -1.847 -0.399 -0.802) 2.053 7.785 ( 0.010 0.136 0.461) 0.481 7.818 ( 0.562 -0.681 -0.106) 0.890 8.088 ( 1.124 1.803 2.928) 3.618 8.253 ( -0.768 -0.295 -2.680) 2.804 11.108 ( 0.325 0.695 -0.125) 0.777 11.155 ( 0.297 0.156 -1.657) 1.691 12.940 ( 0.177 0.501 0.029) 0.532 12.947 ( 0.940 0.750 0.037) 1.204 16.444 ( -0.320 0.235 0.780) 0.875 16.496 ( 0.011 -0.237 -0.710) 0.749 17.029 ( -0.043 -1.983 0.952) 2.200 17.076 ( -0.782 -0.346 0.435) 0.960 17.192 ( 1.026 3.873 1.562) 4.300 17.277 ( -1.178 4.440 -1.635) 4.876 17.482 ( 1.552 -0.797 2.885) 3.372 17.549 ( -0.330 -0.852 8.517) 8.566 17.768 ( 1.542 -0.211 -5.320) 5.543 17.988 ( -2.318 -3.128 -6.942) 7.960 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -13.377 6.383 -0.218) 14.824 1.184 ( -17.961 6.192 -0.036) 18.998 1.514 ( 3.377 -0.505 -2.718) 4.364 1.684 ( -11.586 1.168 0.533) 11.657 1.716 ( 0.871 1.752 6.257) 6.556 1.860 ( -0.383 -6.293 1.814) 6.561 1.997 ( 2.455 -4.266 -1.815) 5.246 2.093 ( -3.759 -2.967 2.348) 5.333 2.197 ( 1.953 3.149 -2.981) 4.756 2.249 ( -1.462 -0.884 -3.917) 4.273 2.419 ( -5.502 -1.818 -2.350) 6.253 2.620 ( 2.239 -5.163 3.400) 6.575 2.722 ( 5.850 0.028 -2.386) 6.318 2.849 ( -0.033 0.418 0.485) 0.641 2.969 ( -0.220 1.996 -1.501) 2.507 3.129 ( 0.289 4.753 -1.097) 4.886 3.224 ( -3.806 -0.696 0.382) 3.888 3.349 ( -1.235 0.447 6.121) 6.260 3.480 ( 0.029 -3.530 -0.026) 3.531 3.536 ( 1.009 -0.609 0.804) 1.427 3.592 ( 2.847 0.049 1.772) 3.354 3.647 ( 3.985 1.749 -2.919) 5.240 4.066 ( -2.807 -1.817 -0.464) 3.376 4.137 ( -3.791 0.950 0.457) 3.935 4.218 ( -0.420 0.275 -0.335) 0.603 4.302 ( -0.043 0.334 2.736) 2.757 4.667 ( -0.693 1.181 1.620) 2.121 4.744 ( 1.108 1.722 1.826) 2.744 4.888 ( -3.008 1.426 1.384) 3.605 4.939 ( -4.082 0.093 -3.663) 5.485 5.566 ( -1.658 0.981 -1.704) 2.572 5.635 ( 1.098 -0.089 0.258) 1.132 5.716 ( -1.679 -2.102 0.253) 2.702 5.777 ( 0.648 -1.581 -0.323) 1.739 5.826 ( -1.723 -0.871 -1.007) 2.178 5.883 ( -0.852 0.532 -1.190) 1.557 6.796 ( -2.595 -0.191 0.801) 2.722 6.879 ( -0.480 -1.025 0.290) 1.168 7.270 ( 0.500 1.071 0.992) 1.543 7.286 ( -0.007 0.480 -0.846) 0.973 7.481 ( -3.125 -0.394 -1.317) 3.414 7.507 ( -0.467 -0.281 1.905) 1.981 7.800 ( 1.071 -0.023 0.497) 1.181 7.841 ( 2.081 -0.757 0.310) 2.236 8.146 ( 1.275 1.837 3.165) 3.875 8.208 ( -0.194 0.582 -3.145) 3.205 11.117 ( 0.799 0.415 -0.028) 0.901 11.149 ( 0.855 0.475 -1.289) 1.618 12.947 ( 0.584 0.493 -0.021) 0.765 12.967 ( 1.675 0.988 -0.498) 2.007 16.444 ( -0.711 0.033 0.796) 1.068 16.484 ( -0.481 -0.270 -0.874) 1.034 17.010 ( -2.431 -0.607 -0.137) 2.509 17.068 ( -1.049 -0.042 0.587) 1.203 17.231 ( 0.819 3.753 1.604) 4.163 17.253 ( 0.566 3.108 -1.285) 3.410 17.548 ( 1.621 -2.781 3.516) 4.767 17.643 ( -1.426 -1.164 10.924) 11.078 17.745 ( 3.064 -0.764 -5.419) 6.272 17.870 ( -1.233 -1.804 -8.098) 8.388 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -14.203 7.446 4.080) 16.547 0.839 ( -18.443 8.707 -7.644) 21.780 1.314 ( -27.234 6.794 6.031) 28.710 1.540 ( -0.064 1.573 -0.231) 1.591 1.813 ( 0.454 0.758 2.648) 2.792 1.875 ( 0.991 -7.440 -0.871) 7.556 1.993 ( -2.148 -7.506 -0.218) 7.810 2.091 ( 0.716 -1.011 0.820) 1.486 2.193 ( 2.085 1.596 -0.566) 2.686 2.260 ( 2.003 3.463 1.410) 4.242 2.283 ( -6.076 -3.523 -3.324) 7.770 2.674 ( -0.799 -6.760 3.452) 7.632 2.781 ( 6.946 0.940 -5.931) 9.182 2.880 ( 1.419 1.783 1.627) 2.800 2.984 ( 1.319 1.984 0.693) 2.481 3.108 ( -1.718 0.744 -0.654) 1.983 3.166 ( -0.685 -0.453 -2.430) 2.565 3.388 ( -1.603 -3.853 5.350) 6.785 3.452 ( 0.461 -1.107 -6.718) 6.824 3.564 ( -0.224 2.478 4.071) 4.771 3.647 ( 3.895 1.433 -5.208) 6.659 3.674 ( 1.514 0.468 1.719) 2.338 4.032 ( -1.060 -1.129 0.292) 1.576 4.078 ( -2.181 0.220 -0.907) 2.372 4.207 ( -1.456 -0.392 0.938) 1.776 4.325 ( -2.801 -2.446 5.389) 6.547 4.662 ( -0.907 1.745 0.046) 1.967 4.778 ( 0.194 1.850 1.563) 2.429 4.832 ( -2.850 0.114 -3.552) 4.555 4.844 ( -3.769 0.919 1.445) 4.140 5.526 ( -1.695 1.802 -0.220) 2.484 5.646 ( -0.764 -0.384 0.684) 1.095 5.683 ( -2.208 -1.515 -0.127) 2.681 5.787 ( 1.096 -2.677 -1.361) 3.197 5.799 ( -0.417 0.379 0.590) 0.816 5.857 ( -0.986 0.459 -0.553) 1.220 6.749 ( -3.344 -0.040 0.071) 3.345 6.853 ( -2.094 -2.379 -1.722) 3.607 7.279 ( 0.619 0.046 0.095) 0.627 7.307 ( 1.211 0.624 1.722) 2.195 7.415 ( -2.899 -0.195 -0.921) 3.048 7.503 ( -1.954 0.099 1.194) 2.293 7.825 ( 1.080 -0.212 0.481) 1.201 7.888 ( 2.666 -1.111 0.545) 2.939 8.140 ( -0.767 1.206 -2.671) 3.029 8.240 ( 3.461 3.738 2.069) 5.498 11.132 ( 0.993 0.052 0.073) 0.997 11.155 ( 0.820 0.695 -0.321) 1.122 12.959 ( 0.886 0.659 0.093) 1.108 12.988 ( 2.041 1.633 -1.397) 2.964 16.439 ( -0.945 -0.203 0.728) 1.210 16.462 ( -0.827 -0.333 -0.921) 1.282 16.962 ( -2.427 0.877 -0.507) 2.630 17.055 ( -0.926 0.338 0.453) 1.085 17.229 ( -1.928 2.362 0.036) 3.049 17.269 ( 1.457 2.495 0.251) 2.900 17.572 ( -0.794 -6.886 -3.021) 7.561 17.715 ( -1.159 -1.476 6.437) 6.705 17.735 ( 1.599 -1.131 -5.701) 6.028 17.856 ( 3.438 -0.378 6.186) 7.087 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -14.089 12.076 -3.722) 18.926 0.523 ( -11.915 8.917 13.306) 19.963 1.008 ( -25.381 14.173 21.966) 36.436 1.519 ( -0.878 0.999 -2.295) 2.653 1.798 ( 0.123 -0.654 -6.028) 6.064 1.877 ( 0.691 -6.450 -0.625) 6.517 1.959 ( -0.050 -4.348 -1.140) 4.495 2.100 ( 0.343 -1.901 -1.688) 2.566 2.138 ( -5.502 -3.284 -2.712) 6.958 2.262 ( 1.926 0.417 4.431) 4.850 2.328 ( 1.206 2.078 4.658) 5.242 2.678 ( -1.324 -6.039 1.218) 6.301 2.827 ( 6.922 2.881 -6.046) 9.631 2.911 ( 0.014 0.854 0.661) 1.080 2.990 ( -1.198 1.608 0.492) 2.065 3.050 ( -2.113 -1.732 -2.869) 3.961 3.120 ( -0.200 0.520 -9.946) 9.961 3.334 ( 0.643 6.647 -8.324) 10.671 3.465 ( 1.232 -3.505 5.070) 6.286 3.576 ( -1.282 -0.513 -0.168) 1.391 3.677 ( 3.193 4.230 1.940) 5.644 3.714 ( 1.336 -1.739 0.788) 2.330 4.026 ( -0.616 1.352 0.835) 1.704 4.063 ( 1.332 -2.623 -0.560) 2.995 4.177 ( -3.487 -2.568 0.390) 4.348 4.316 ( -5.668 -7.684 5.096) 10.823 4.640 ( -0.859 2.276 -0.754) 2.547 4.759 ( -2.076 0.678 0.927) 2.372 4.807 ( 0.998 0.138 -1.219) 1.582 4.821 ( -0.847 0.424 1.550) 1.816 5.510 ( -1.272 2.346 2.063) 3.373 5.626 ( -1.919 -0.121 0.597) 2.013 5.648 ( -1.320 -0.643 -0.519) 1.558 5.790 ( 0.339 0.230 -0.517) 0.659 5.811 ( 1.160 -2.130 -0.354) 2.451 5.845 ( -0.206 0.013 -0.162) 0.262 6.701 ( -2.176 0.113 0.160) 2.185 6.759 ( -5.106 -1.875 -3.379) 6.404 7.299 ( 0.837 -1.586 0.995) 2.050 7.348 ( 0.636 -1.330 1.949) 2.444 7.378 ( -0.747 0.314 0.241) 0.846 7.473 ( -2.714 0.076 0.543) 2.769 7.844 ( 0.740 0.042 0.406) 0.845 7.930 ( 1.601 -1.352 0.424) 2.138 8.114 ( 0.567 2.404 -0.757) 2.583 8.324 ( 5.219 4.827 -1.285) 7.224 11.152 ( 0.898 0.037 0.571) 1.065 11.165 ( 0.249 0.548 0.424) 0.736 12.976 ( 0.626 0.713 0.039) 0.949 13.016 ( 3.743 2.772 -1.311) 4.839 16.430 ( -0.893 -0.375 0.558) 1.118 16.442 ( -0.388 -0.377 -0.592) 0.802 16.929 ( -1.115 1.567 0.107) 1.926 17.049 ( -0.106 0.480 -0.380) 0.621 17.187 ( -1.847 2.071 -0.301) 2.791 17.298 ( 1.057 1.814 0.800) 2.247 17.432 ( -8.559 -5.705 -7.161) 12.533 17.677 ( 0.167 -3.232 -4.486) 5.531 17.808 ( 2.097 -0.040 5.759) 6.129 18.021 ( 2.355 -6.121 10.671) 12.525 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 2.380 12.291 7.180) 14.432 0.836 ( 4.562 12.675 9.553) 16.515 1.217 ( -5.884 6.935 13.120) 15.964 1.495 ( -1.359 1.185 0.203) 1.814 1.682 ( 1.499 -1.494 -9.649) 9.878 1.784 ( 0.482 -5.359 1.897) 5.705 1.885 ( 2.565 -5.006 -3.830) 6.805 1.985 ( 0.594 -4.871 -3.508) 6.032 2.050 ( -2.339 2.921 -0.400) 3.763 2.282 ( -0.757 -4.168 3.153) 5.281 2.405 ( -1.869 1.170 5.070) 5.529 2.593 ( -1.163 -2.978 2.314) 3.947 2.910 ( 1.111 0.849 -0.375) 1.448 2.931 ( -0.771 1.101 -4.203) 4.412 2.945 ( 2.304 2.566 -2.828) 4.460 3.028 ( 0.479 0.825 -1.596) 1.860 3.074 ( -0.607 1.054 -1.371) 1.833 3.386 ( 2.598 -2.382 -2.501) 4.321 3.477 ( 0.309 0.428 -0.443) 0.689 3.536 ( -1.806 0.828 -0.400) 2.027 3.662 ( -1.052 -2.046 -1.901) 2.985 3.767 ( 2.131 -2.559 -0.293) 3.343 4.033 ( 2.596 -1.889 0.071) 3.211 4.040 ( -3.436 -1.370 -0.289) 3.711 4.070 ( 1.463 1.243 -0.092) 1.922 4.173 ( -3.823 -2.258 0.030) 4.441 4.687 ( 0.437 2.689 0.653) 2.802 4.764 ( 0.151 1.423 0.133) 1.437 4.798 ( -0.414 -0.468 1.064) 1.234 4.830 ( 0.502 0.074 0.089) 0.515 5.548 ( -0.571 0.405 0.587) 0.913 5.615 ( 1.066 -1.027 -0.412) 1.537 5.659 ( 0.030 2.402 1.514) 2.840 5.779 ( -0.720 -0.637 0.251) 0.994 5.782 ( 0.357 -0.918 -0.119) 0.992 5.824 ( -0.523 -0.178 -1.313) 1.425 6.690 ( -0.084 0.170 0.284) 0.341 6.703 ( 1.132 -0.248 0.114) 1.164 7.302 ( 0.818 0.003 0.062) 0.820 7.340 ( -0.451 -0.601 0.859) 1.141 7.373 ( -0.543 -0.167 -0.183) 0.597 7.433 ( -0.244 -0.573 -0.903) 1.097 7.869 ( -0.150 0.370 1.741) 1.786 7.919 ( -0.586 -1.351 1.109) 1.844 8.181 ( 0.883 2.798 0.030) 2.934 8.341 ( -0.793 -1.508 -3.592) 3.975 11.177 ( -0.001 0.406 1.012) 1.090 11.181 ( 0.176 0.352 0.755) 0.852 12.998 ( -0.107 1.209 0.016) 1.213 13.060 ( 1.044 -0.619 -1.300) 1.778 16.414 ( -0.246 -0.401 0.156) 0.496 16.429 ( 0.504 -0.705 -0.165) 0.882 16.972 ( 0.056 2.712 0.656) 2.791 17.051 ( -0.385 1.024 -1.223) 1.640 17.209 ( 1.932 -0.193 -0.648) 2.047 17.230 ( -1.816 -0.603 -0.507) 1.979 17.376 ( -0.461 2.970 1.890) 3.550 17.575 ( -0.248 -3.171 -3.078) 4.426 17.888 ( 0.419 0.262 4.166) 4.196 17.989 ( -1.844 -3.184 2.299) 4.339 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 6.727 8.953 10.272) 15.196 1.055 ( 7.055 11.743 10.302) 17.140 1.303 ( 6.062 -2.577 -0.124) 6.588 1.528 ( 0.443 2.858 0.581) 2.950 1.579 ( 0.952 -0.323 -5.925) 6.010 1.804 ( 1.489 -6.014 -2.095) 6.541 1.862 ( -1.521 -3.744 -3.176) 5.140 2.000 ( 3.528 -4.365 -1.625) 5.843 2.056 ( 4.385 1.365 2.874) 5.418 2.321 ( -0.311 -5.462 5.284) 7.606 2.427 ( -1.694 1.752 5.674) 6.175 2.588 ( -1.242 -1.083 0.390) 1.694 2.862 ( -1.978 2.285 -1.884) 3.562 2.885 ( -0.215 5.173 -8.551) 9.996 2.946 ( 3.114 2.540 -1.851) 4.424 3.028 ( 0.566 1.044 1.542) 1.947 3.101 ( 0.632 -1.675 2.275) 2.895 3.363 ( 2.062 2.338 -7.102) 7.756 3.471 ( -1.812 -6.508 1.343) 6.888 3.509 ( -3.133 0.093 2.459) 3.983 3.617 ( -1.347 -1.085 -1.990) 2.637 3.775 ( 0.893 -3.432 -2.834) 4.540 3.989 ( -1.108 0.268 -0.441) 1.223 4.075 ( -0.818 -2.249 -0.414) 2.428 4.113 ( 3.732 0.528 0.154) 3.772 4.162 ( 4.168 -1.000 0.298) 4.296 4.701 ( -0.256 2.126 0.948) 2.342 4.767 ( 0.249 1.604 -1.129) 1.977 4.805 ( 0.723 1.246 -0.003) 1.441 4.859 ( 2.531 0.031 1.139) 2.776 5.561 ( 1.206 -1.248 0.916) 1.962 5.637 ( 2.120 -2.172 -0.937) 3.177 5.679 ( -0.431 2.413 2.958) 3.842 5.767 ( -1.007 -0.653 -0.432) 1.276 5.791 ( 0.806 0.890 -0.158) 1.211 5.811 ( 1.401 -0.120 -0.884) 1.661 6.707 ( 1.713 0.225 0.067) 1.729 6.745 ( 3.383 -0.896 -0.735) 3.576 7.305 ( -0.634 0.100 -0.203) 0.673 7.334 ( -1.570 -0.595 0.849) 1.882 7.380 ( 2.375 -0.031 -0.337) 2.399 7.439 ( 1.564 -1.041 -0.314) 1.905 7.876 ( -1.709 0.209 2.146) 2.752 7.904 ( -2.426 -0.703 0.652) 2.608 8.190 ( -0.488 1.850 -0.188) 1.923 8.275 ( -1.621 -0.420 -2.437) 2.957 11.175 ( -1.042 0.619 0.759) 1.430 11.194 ( -0.014 0.187 0.856) 0.877 12.991 ( -0.845 1.204 0.163) 1.479 13.044 ( -0.992 -0.165 -1.337) 1.673 16.417 ( 0.372 -0.112 -0.013) 0.388 16.444 ( 1.344 -0.871 -0.070) 1.603 16.984 ( 0.183 1.990 0.824) 2.162 17.032 ( 0.124 1.419 -1.180) 1.849 17.238 ( 3.570 -0.198 -0.802) 3.664 17.256 ( 3.358 0.121 -1.327) 3.612 17.387 ( -1.107 2.318 2.713) 3.736 17.528 ( -1.152 -1.873 -3.476) 4.113 17.928 ( -1.593 -1.540 4.204) 4.752 17.961 ( -2.767 -2.225 1.846) 4.002 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 6.780 7.646 7.680) 12.783 1.243 ( 7.003 7.626 1.407) 10.449 1.372 ( 1.125 5.226 -11.992) 13.129 1.425 ( 5.327 -1.489 -1.432) 5.713 1.685 ( 1.345 -6.768 7.317) 10.058 1.792 ( -0.705 -3.739 -1.593) 4.125 1.816 ( 2.182 -5.876 -2.451) 6.730 2.019 ( 1.719 -6.949 -2.879) 7.715 2.239 ( 7.500 1.063 7.115) 10.393 2.366 ( -0.817 -3.090 5.177) 6.084 2.474 ( 0.018 3.015 4.028) 5.031 2.566 ( 0.398 -0.176 -3.059) 3.090 2.786 ( -1.916 5.179 -3.913) 6.768 2.840 ( -0.272 2.166 0.182) 2.191 2.994 ( 4.365 2.948 -0.252) 5.273 3.068 ( 2.498 1.569 0.258) 2.961 3.114 ( 0.113 -1.012 -0.226) 1.043 3.325 ( 1.749 3.136 -5.232) 6.346 3.452 ( -1.642 -6.918 0.407) 7.122 3.489 ( -3.345 -1.616 4.072) 5.512 3.573 ( -2.025 0.457 -1.228) 2.412 3.734 ( -1.981 -2.983 -2.898) 4.607 3.998 ( 2.695 -0.021 -0.252) 2.706 4.055 ( 0.609 -1.177 -0.776) 1.535 4.183 ( 3.552 0.580 0.113) 3.601 4.252 ( 4.112 -0.587 1.664) 4.474 4.692 ( -1.580 2.082 0.275) 2.628 4.746 ( -0.884 2.108 -1.292) 2.626 4.835 ( 3.332 1.275 -0.643) 3.625 4.922 ( 3.684 -0.594 0.261) 3.741 5.602 ( 1.972 -1.941 1.203) 3.017 5.661 ( 1.446 -1.828 -0.413) 2.367 5.703 ( -0.650 2.019 2.490) 3.271 5.738 ( -0.560 0.380 -1.833) 1.953 5.814 ( 1.603 -0.152 0.738) 1.772 5.842 ( 2.544 -0.540 -0.662) 2.684 6.743 ( 2.494 0.433 -0.009) 2.532 6.786 ( 2.903 -0.597 -1.451) 3.300 7.286 ( -1.067 -0.100 -0.342) 1.125 7.317 ( -0.836 -0.588 0.437) 1.112 7.423 ( 2.692 -0.051 -0.815) 2.813 7.473 ( 1.992 -0.942 1.027) 2.431 7.854 ( -3.064 0.158 0.898) 3.197 7.865 ( -2.629 -0.187 0.916) 2.790 8.149 ( -1.974 2.654 -1.756) 3.745 8.262 ( 0.088 -0.970 0.845) 1.290 11.161 ( -1.278 0.837 0.303) 1.557 11.197 ( -0.541 -0.026 0.438) 0.696 12.975 ( -1.121 0.989 0.083) 1.497 13.008 ( -1.645 0.399 -1.010) 1.971 16.425 ( 0.723 0.265 -0.099) 0.776 16.467 ( 1.413 -0.925 -0.234) 1.705 16.989 ( -0.228 1.156 0.262) 1.207 17.036 ( 1.277 0.973 -0.344) 1.642 17.270 ( 0.639 0.994 -2.209) 2.505 17.306 ( 4.545 0.890 -0.071) 4.632 17.407 ( -0.078 1.681 2.946) 3.393 17.469 ( -1.527 -0.659 -2.776) 3.236 17.900 ( -3.274 -0.865 0.795) 3.479 17.980 ( -0.232 -4.001 3.548) 5.352 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 6.225 5.499 -1.310) 8.409 1.261 ( 1.941 6.249 -5.319) 8.432 1.347 ( 8.247 1.651 -5.555) 10.079 1.532 ( 0.276 1.479 7.179) 7.335 1.728 ( -1.126 -6.148 3.470) 7.149 1.785 ( 1.280 -3.759 -0.365) 3.988 1.859 ( 1.564 -9.816 0.410) 9.948 2.014 ( -0.401 -5.098 1.073) 5.225 2.335 ( 0.740 -0.034 0.831) 1.113 2.421 ( 1.032 -0.279 -3.760) 3.909 2.493 ( -0.174 3.942 1.000) 4.070 2.561 ( 2.374 0.949 0.553) 2.616 2.754 ( 0.113 4.305 0.386) 4.324 2.845 ( -0.415 -0.381 1.279) 1.398 3.088 ( 5.591 2.734 0.219) 6.228 3.109 ( 2.052 1.617 0.334) 2.634 3.120 ( 2.637 0.190 -1.454) 3.017 3.317 ( 1.391 3.025 -1.092) 3.504 3.417 ( -2.400 -5.008 -0.672) 5.594 3.483 ( -2.789 -1.648 3.888) 5.061 3.531 ( -1.204 1.543 -0.607) 2.049 3.662 ( -3.872 -2.681 -0.587) 4.747 4.063 ( 4.909 -0.190 -0.220) 4.918 4.087 ( 3.248 -0.656 0.362) 3.333 4.215 ( 0.142 0.821 -0.124) 0.843 4.317 ( 1.135 -0.768 1.640) 2.137 4.667 ( -1.278 2.416 0.279) 2.747 4.722 ( -0.510 2.073 -0.548) 2.204 4.891 ( 3.537 1.370 -0.241) 3.800 4.979 ( 3.311 -1.586 -0.677) 3.733 5.644 ( 1.325 -1.206 1.138) 2.123 5.664 ( -0.442 0.684 -0.754) 1.109 5.714 ( 0.407 -1.467 -2.194) 2.671 5.715 ( -0.053 0.483 0.954) 1.071 5.852 ( 1.711 -0.264 0.658) 1.852 5.871 ( 1.787 -0.872 -0.741) 2.122 6.785 ( 1.996 0.512 0.496) 2.120 6.814 ( 2.173 -0.212 -0.922) 2.370 7.265 ( -0.745 0.045 -0.464) 0.879 7.321 ( 0.211 -1.363 0.964) 1.682 7.442 ( 1.023 1.004 -1.056) 1.780 7.519 ( 1.720 -0.967 0.972) 2.200 7.815 ( -1.992 0.121 0.400) 2.036 7.832 ( -2.425 -0.207 0.713) 2.536 8.110 ( -1.030 3.257 -0.631) 3.473 8.271 ( -0.180 -1.502 0.621) 1.635 11.142 ( -1.004 0.989 -0.135) 1.415 11.187 ( -0.682 -0.196 -0.271) 0.759 12.959 ( -0.799 0.794 -0.022) 1.127 12.974 ( -1.305 0.658 -0.494) 1.543 16.437 ( 0.672 0.537 0.061) 0.862 16.484 ( 1.016 -0.801 -0.429) 1.363 16.987 ( -0.150 0.678 0.210) 0.725 17.057 ( 0.906 -0.040 0.466) 1.020 17.245 ( -1.018 2.283 -0.792) 2.623 17.376 ( 2.784 0.272 1.065) 2.994 17.423 ( -0.993 2.191 -0.862) 2.555 17.443 ( 1.017 1.055 1.470) 2.076 17.854 ( -2.063 -0.085 -1.078) 2.329 18.004 ( -0.194 -5.492 0.860) 5.562 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 5.625 3.169 -0.206) 6.459 1.279 ( 1.828 7.038 0.540) 7.292 1.406 ( 6.757 -0.135 -7.139) 9.831 1.575 ( -4.654 0.662 7.985) 9.266 1.764 ( 0.887 -3.887 2.631) 4.777 1.819 ( 1.338 -5.251 2.671) 6.042 1.858 ( -0.785 -6.546 0.291) 6.600 2.009 ( -3.491 -7.217 2.040) 8.272 2.314 ( -0.801 1.494 -7.123) 7.322 2.382 ( 2.979 1.672 -1.901) 3.909 2.493 ( -0.206 1.728 -0.729) 1.887 2.579 ( -0.869 1.854 -2.246) 3.039 2.760 ( -1.305 3.078 -0.065) 3.344 2.844 ( -0.474 -1.636 0.106) 1.706 3.101 ( 1.334 0.972 -2.726) 3.187 3.159 ( 2.990 1.111 -0.998) 3.342 3.213 ( 3.654 2.065 4.000) 5.798 3.332 ( -0.971 1.329 1.658) 2.336 3.392 ( -0.005 -0.922 2.113) 2.306 3.472 ( -2.713 -0.380 2.524) 3.725 3.528 ( 1.249 -0.366 -0.282) 1.332 3.600 ( -2.994 -2.017 0.094) 3.611 4.137 ( 3.526 0.128 -0.068) 3.529 4.152 ( 2.527 -1.348 0.817) 2.979 4.194 ( -1.618 2.200 0.394) 2.759 4.324 ( -1.376 -0.871 0.553) 1.720 4.664 ( -0.298 2.379 1.433) 2.793 4.720 ( 0.298 1.655 0.552) 1.770 4.936 ( 1.623 1.869 0.153) 2.480 5.014 ( 1.649 -1.818 -0.733) 2.562 5.640 ( -0.185 1.240 -1.911) 2.285 5.662 ( -0.567 0.073 -0.589) 0.821 5.689 ( 0.073 -1.625 -1.014) 1.916 5.732 ( 0.899 -2.024 -0.109) 2.217 5.871 ( 0.130 -0.071 -0.276) 0.314 5.890 ( 1.203 -0.719 -0.181) 1.413 6.812 ( 0.432 0.381 0.631) 0.855 6.841 ( 1.395 -0.351 0.252) 1.461 7.257 ( 0.066 0.562 0.026) 0.566 7.334 ( -0.257 -1.182 0.868) 1.489 7.447 ( 0.867 1.277 -0.230) 1.560 7.541 ( 0.131 -1.148 0.060) 1.157 7.795 ( -1.289 0.131 0.608) 1.431 7.807 ( -0.848 -0.487 0.033) 0.978 8.103 ( 0.127 3.170 0.765) 3.263 8.265 ( -0.555 -1.561 -0.631) 1.773 11.128 ( -0.339 1.058 -0.316) 1.155 11.171 ( -0.337 -0.186 -0.996) 1.068 12.952 ( -0.026 0.717 0.049) 0.719 12.956 ( -0.488 0.747 -0.038) 0.893 16.447 ( 0.266 0.612 0.303) 0.733 16.491 ( 0.517 -0.633 -0.542) 0.981 16.993 ( 0.191 0.251 0.980) 1.030 17.069 ( -0.204 -0.794 0.556) 0.991 17.238 ( 0.221 3.559 1.131) 3.741 17.394 ( -0.934 1.011 -0.643) 1.519 17.429 ( 0.710 2.129 2.502) 3.361 17.481 ( 1.061 0.811 2.085) 2.476 17.808 ( -0.629 0.266 -3.158) 3.231 17.984 ( -0.952 -5.649 -2.951) 6.444 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -7.264 8.958 -2.654) 11.835 1.418 ( 0.182 1.203 5.282) 5.421 1.453 ( 7.035 -0.931 -3.853) 8.075 1.580 ( -1.683 3.794 8.017) 9.028 1.756 ( -3.265 -6.430 -0.331) 7.219 1.844 ( -2.451 -0.658 -0.328) 2.559 1.898 ( 4.607 -5.276 -0.498) 7.022 1.964 ( -3.867 -8.579 5.790) 11.049 2.247 ( 1.464 2.171 -5.230) 5.849 2.370 ( -3.585 0.596 -5.002) 6.182 2.489 ( 2.677 -1.612 -1.338) 3.400 2.504 ( -3.399 0.264 -3.182) 4.663 2.719 ( -0.801 3.115 -0.327) 3.233 2.844 ( 0.640 -0.426 -0.247) 0.808 3.078 ( -2.400 2.739 -1.628) 3.989 3.183 ( 1.776 1.637 -1.412) 2.798 3.279 ( -1.938 1.128 2.510) 3.366 3.316 ( -3.221 -2.560 4.714) 6.257 3.425 ( -0.740 -0.009 1.729) 1.880 3.490 ( 2.556 0.973 2.351) 3.607 3.546 ( 0.897 -0.900 -0.064) 1.272 3.593 ( 2.926 -1.084 -0.081) 3.122 4.117 ( -3.647 0.147 -0.572) 3.694 4.172 ( -0.864 -0.371 1.222) 1.542 4.226 ( 1.142 1.472 1.403) 2.332 4.304 ( -0.506 0.052 -0.143) 0.528 4.680 ( -0.103 1.884 1.794) 2.603 4.740 ( 0.924 1.196 1.071) 1.852 4.946 ( -0.962 2.074 0.804) 2.423 5.009 ( -1.286 -0.836 -1.186) 1.939 5.614 ( -0.663 -0.747 -2.101) 2.326 5.631 ( 0.453 0.724 -2.818) 2.944 5.689 ( -0.473 -1.633 0.556) 1.789 5.739 ( 0.304 -2.139 -0.566) 2.233 5.858 ( -1.243 0.567 -0.092) 1.369 5.899 ( 0.156 -0.436 -0.372) 0.594 6.815 ( -1.011 0.183 0.826) 1.318 6.859 ( 0.198 -0.893 0.462) 1.025 7.268 ( 0.640 1.159 0.936) 1.621 7.324 ( -1.075 0.426 -0.375) 1.215 7.470 ( 0.908 -0.274 1.275) 1.589 7.523 ( -1.721 -1.125 -0.923) 2.254 7.788 ( -0.053 0.187 0.408) 0.452 7.805 ( 0.487 -0.621 0.042) 0.790 8.131 ( 1.295 2.540 2.062) 3.519 8.241 ( -0.584 -0.951 -1.840) 2.152 11.124 ( 0.283 0.987 -0.302) 1.070 11.158 ( 0.376 0.009 -1.342) 1.394 12.953 ( 0.182 0.791 0.081) 0.815 12.962 ( 0.990 0.711 0.057) 1.220 16.451 ( -0.298 0.489 0.415) 0.708 16.489 ( -0.026 -0.551 -0.637) 0.843 17.010 ( -0.183 0.036 1.626) 1.637 17.067 ( -0.319 -0.619 0.251) 0.740 17.273 ( 1.339 4.548 2.392) 5.310 17.359 ( -1.452 3.533 -1.891) 4.262 17.470 ( 0.355 -0.181 2.689) 2.719 17.526 ( -0.428 -1.433 6.016) 6.200 17.767 ( 1.063 0.277 -4.861) 4.983 17.912 ( -1.479 -4.575 -5.912) 7.620 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -10.382 10.157 -3.259) 14.886 1.316 ( -12.250 6.777 -2.044) 14.148 1.511 ( 2.942 0.189 -1.477) 3.297 1.651 ( -8.470 -6.144 2.730) 10.814 1.737 ( 3.024 0.463 8.220) 8.770 1.791 ( -1.233 0.079 -1.331) 1.816 1.909 ( 1.067 -4.320 -4.263) 6.162 2.022 ( -0.667 -4.791 6.653) 8.226 2.200 ( -4.177 -0.759 -4.319) 6.056 2.253 ( 0.848 0.378 -2.160) 2.351 2.391 ( -5.158 -0.713 -4.334) 6.775 2.539 ( 1.614 -3.556 2.362) 4.564 2.754 ( 4.654 3.407 -0.678) 5.808 2.876 ( 2.752 1.628 1.489) 3.527 3.004 ( -2.419 2.019 -2.137) 3.807 3.162 ( -2.771 -1.204 -1.841) 3.538 3.217 ( -6.450 -0.577 2.937) 7.111 3.327 ( -0.880 -3.679 0.873) 3.882 3.437 ( 0.428 1.341 1.475) 2.039 3.544 ( 0.640 0.744 3.164) 3.312 3.590 ( 3.320 -0.239 0.657) 3.393 3.661 ( 5.137 -0.451 -1.760) 5.449 4.051 ( -3.404 0.453 -0.147) 3.437 4.140 ( -4.023 -0.640 1.201) 4.247 4.234 ( -0.638 1.492 -0.083) 1.624 4.307 ( -0.991 0.064 1.810) 2.064 4.692 ( -0.249 1.497 0.944) 1.787 4.771 ( 1.321 0.594 0.851) 1.680 4.920 ( -3.448 1.721 0.883) 3.954 4.945 ( -3.912 0.618 -2.128) 4.496 5.578 ( -0.650 0.107 -1.634) 1.762 5.625 ( 1.172 -0.794 -1.169) 1.836 5.679 ( -1.220 -1.412 0.170) 1.874 5.731 ( 0.027 -2.690 -1.126) 2.916 5.835 ( -1.514 1.427 0.365) 2.112 5.887 ( -1.083 -0.072 -0.269) 1.118 6.795 ( -2.389 0.149 0.586) 2.465 6.854 ( -1.233 -1.515 -0.014) 1.953 7.294 ( 0.773 1.355 1.500) 2.164 7.301 ( -0.558 1.150 -0.977) 1.609 7.470 ( -2.677 -0.760 -1.485) 3.154 7.492 ( -0.467 -1.236 1.663) 2.124 7.801 ( 1.005 0.090 0.336) 1.064 7.825 ( 1.642 -0.845 0.387) 1.887 8.182 ( 1.197 1.759 1.677) 2.709 8.218 ( 1.117 0.411 -1.247) 1.724 11.129 ( 0.641 0.786 -0.357) 1.076 11.156 ( 0.939 0.234 -0.949) 1.355 12.961 ( 0.697 0.945 0.003) 1.174 12.984 ( 1.756 0.628 -0.348) 1.897 16.446 ( -0.797 0.211 0.410) 0.921 16.476 ( -0.623 -0.561 -0.744) 1.121 17.012 ( -1.317 0.847 0.912) 1.813 17.068 ( -0.281 -0.051 0.496) 0.572 17.311 ( -1.048 3.677 -0.846) 3.916 17.320 ( 0.601 4.522 0.584) 4.599 17.484 ( -2.087 -3.623 2.205) 4.727 17.600 ( -0.922 -3.238 8.418) 9.066 17.745 ( 2.979 0.736 -4.915) 5.794 17.828 ( 0.284 -2.291 -5.866) 6.304 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -9.831 11.233 0.524) 14.936 1.023 ( -12.952 9.720 -11.359) 19.780 1.423 ( -15.874 3.565 7.111) 17.756 1.587 ( -3.098 1.615 2.500) 4.296 1.755 ( 0.323 -4.227 -2.398) 4.870 1.820 ( -1.004 -1.075 -1.071) 1.819 1.881 ( 0.040 -1.891 1.255) 2.270 2.049 ( -0.992 -2.858 1.903) 3.574 2.167 ( 1.128 -4.573 -0.789) 4.776 2.214 ( -2.743 -3.183 -2.816) 5.058 2.311 ( -0.378 2.740 1.839) 3.321 2.577 ( -1.294 -4.069 4.118) 5.932 2.834 ( 6.317 4.321 -2.622) 8.090 2.921 ( 0.542 2.327 0.599) 2.464 3.003 ( 2.239 0.530 0.290) 2.320 3.071 ( -3.611 -3.780 -2.950) 6.002 3.163 ( -3.119 -0.768 2.324) 3.965 3.304 ( -0.762 -5.162 -1.026) 5.318 3.463 ( 0.884 2.730 0.693) 2.952 3.591 ( 0.823 1.024 2.282) 2.633 3.640 ( 2.274 -1.265 -0.608) 2.673 3.703 ( 2.764 0.621 -2.325) 3.665 4.009 ( -1.557 -0.373 0.006) 1.601 4.085 ( -2.768 -0.193 -0.124) 2.778 4.208 ( -2.831 0.840 0.430) 2.984 4.292 ( -3.999 -1.202 2.743) 4.996 4.695 ( -0.135 1.679 0.175) 1.693 4.798 ( 1.478 -0.372 -0.355) 1.564 4.845 ( -4.397 1.487 -1.371) 4.840 4.862 ( -4.337 0.957 0.142) 4.443 5.563 ( -0.516 1.880 0.348) 1.981 5.632 ( -0.292 -0.553 0.301) 0.694 5.656 ( -1.061 -1.364 -0.490) 1.796 5.726 ( 1.350 -3.391 -0.997) 3.784 5.819 ( -1.090 1.466 0.473) 1.887 5.862 ( -1.596 0.110 0.075) 1.602 6.751 ( -3.152 0.277 0.092) 3.165 6.812 ( -3.225 -1.896 -1.005) 3.874 7.289 ( 0.369 0.883 -0.970) 1.363 7.322 ( 0.542 0.867 1.320) 1.670 7.412 ( -2.250 -0.095 -1.023) 2.473 7.489 ( -1.772 -1.463 1.140) 2.565 7.824 ( 1.213 0.120 0.385) 1.278 7.863 ( 2.055 -1.305 0.764) 2.552 8.177 ( 0.198 2.448 -1.636) 2.951 8.280 ( 3.777 0.451 1.774) 4.197 11.139 ( 0.952 0.625 -0.141) 1.148 11.165 ( 0.737 0.283 -0.234) 0.823 12.976 ( 1.052 1.062 0.028) 1.494 13.010 ( 2.251 0.571 -0.949) 2.509 16.435 ( -1.047 -0.140 0.375) 1.120 16.453 ( -0.971 -0.576 -0.767) 1.365 16.992 ( -1.590 2.212 0.277) 2.739 17.064 ( -0.564 0.495 0.288) 0.804 17.269 ( -2.093 1.678 -1.270) 2.968 17.334 ( -0.078 4.152 0.410) 4.173 17.443 ( -4.381 -5.928 0.016) 7.371 17.633 ( -2.185 -4.941 1.870) 5.717 17.765 ( 3.419 2.028 -0.963) 4.090 17.846 ( 4.423 -0.720 1.588) 4.754 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -11.566 12.178 -2.085) 16.924 0.744 ( -2.182 14.328 0.622) 14.506 1.254 ( -16.341 10.046 14.080) 23.795 1.544 ( -3.432 0.801 -0.168) 3.528 1.733 ( 1.239 -5.194 -4.381) 6.907 1.778 ( -0.329 -4.258 -1.886) 4.668 1.890 ( 0.398 -1.312 -1.196) 1.819 2.035 ( -0.582 -4.991 -3.547) 6.151 2.091 ( -3.550 -0.968 0.146) 3.682 2.251 ( 1.696 -2.058 2.466) 3.632 2.360 ( 0.737 1.802 4.690) 5.078 2.588 ( -1.931 -4.080 3.177) 5.520 2.881 ( 3.709 2.073 -3.000) 5.201 2.943 ( -0.009 2.668 0.807) 2.788 2.977 ( -1.126 -2.186 -2.538) 3.534 3.033 ( -0.499 -0.167 -0.135) 0.543 3.133 ( 0.011 0.486 -5.183) 5.206 3.329 ( 2.812 -5.426 2.381) 6.558 3.476 ( 0.579 3.962 -0.444) 4.029 3.583 ( -0.426 1.382 -3.791) 4.057 3.673 ( 0.912 -2.510 0.920) 2.825 3.725 ( 1.950 0.198 0.145) 1.966 4.000 ( 0.753 -1.793 -0.118) 1.948 4.054 ( -0.208 -0.451 -0.921) 1.046 4.141 ( -5.588 0.174 0.111) 5.592 4.239 ( -5.182 -1.952 2.133) 5.934 4.687 ( -0.502 2.587 -0.448) 2.673 4.779 ( -2.114 1.066 -0.076) 2.369 4.802 ( -0.617 -0.539 -0.781) 1.132 4.823 ( -0.533 -0.201 1.127) 1.262 5.558 ( -1.223 2.252 1.007) 2.754 5.619 ( -1.027 -0.600 -0.026) 1.190 5.646 ( 0.311 0.510 -0.067) 0.601 5.758 ( 2.105 -2.708 0.500) 3.466 5.800 ( -1.539 0.477 -0.013) 1.611 5.843 ( -0.711 -0.286 -0.268) 0.812 6.704 ( -2.117 0.286 0.108) 2.139 6.735 ( -3.690 -0.852 -1.187) 3.969 7.291 ( 0.773 0.296 -0.536) 0.986 7.336 ( -0.118 -0.187 0.723) 0.756 7.382 ( -0.685 0.303 -0.079) 0.753 7.462 ( -2.105 -1.118 0.073) 2.385 7.848 ( 0.845 0.351 0.826) 1.232 7.902 ( 1.178 -1.554 1.029) 2.205 8.171 ( 0.783 3.456 -0.968) 3.674 8.348 ( 2.929 -1.234 -0.759) 3.268 11.157 ( 0.946 0.486 0.479) 1.166 11.174 ( 0.197 0.317 0.426) 0.567 12.993 ( 0.764 1.064 0.016) 1.310 13.040 ( 2.586 0.123 -1.116) 2.819 16.422 ( -0.866 -0.409 0.260) 0.992 16.433 ( -0.517 -0.597 -0.479) 0.923 16.973 ( -0.935 2.910 0.346) 3.076 17.060 ( 0.122 0.601 -0.363) 0.713 17.218 ( -2.009 1.092 -0.811) 2.426 17.311 ( -4.228 -2.765 -1.382) 5.237 17.370 ( -1.835 1.797 0.741) 2.673 17.606 ( -0.408 -4.173 -1.949) 4.624 17.827 ( 2.256 1.749 2.765) 3.974 17.948 ( 2.637 -2.636 3.949) 5.431 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 1.534 10.962 4.191) 11.836 0.986 ( 4.767 0.102 4.208) 6.359 1.325 ( -3.790 7.527 3.971) 9.316 1.467 ( -1.218 -4.899 1.739) 5.339 1.648 ( 4.258 -1.233 -8.489) 9.577 1.688 ( 2.071 -4.874 -4.375) 6.870 1.841 ( -0.155 1.263 -2.737) 3.018 1.898 ( 0.678 -4.016 -1.819) 4.460 2.130 ( -2.406 4.547 1.777) 5.442 2.205 ( -2.098 -3.756 1.690) 4.623 2.447 ( -2.945 3.642 7.070) 8.481 2.528 ( -2.234 -4.202 6.122) 7.754 2.921 ( 3.012 0.677 -0.963) 3.234 2.935 ( 1.516 -0.421 -0.814) 1.772 2.993 ( -0.843 1.752 0.597) 2.033 3.019 ( -0.596 -1.231 1.386) 1.947 3.135 ( -0.455 5.310 -3.591) 6.427 3.258 ( 0.526 -7.578 -0.188) 7.599 3.542 ( -0.355 3.048 -3.729) 4.830 3.557 ( -1.197 0.845 -2.921) 3.267 3.641 ( 0.153 0.567 -1.124) 1.268 3.696 ( 1.435 -4.296 -1.280) 4.707 4.015 ( 2.430 -0.046 -0.224) 2.441 4.022 ( 0.086 -0.679 -0.178) 0.707 4.105 ( -1.058 1.921 -1.354) 2.578 4.138 ( -2.495 -1.656 -1.336) 3.279 4.736 ( 0.113 2.431 0.226) 2.444 4.771 ( 0.086 -1.031 -0.387) 1.104 4.800 ( 0.669 0.924 1.934) 2.245 4.820 ( 0.369 -0.982 1.551) 1.872 5.558 ( -0.220 0.899 -1.595) 1.844 5.584 ( 0.588 -1.793 -1.805) 2.611 5.709 ( -0.646 2.503 2.551) 3.632 5.749 ( -0.822 -1.805 1.997) 2.815 5.794 ( 0.497 1.125 -0.268) 1.258 5.815 ( 0.231 -0.873 -0.655) 1.116 6.694 ( 0.096 0.220 0.158) 0.288 6.698 ( 0.509 -0.238 0.100) 0.570 7.310 ( 0.665 0.718 0.082) 0.982 7.326 ( -0.071 -0.906 0.520) 1.047 7.385 ( -0.154 1.323 -1.094) 1.723 7.413 ( -0.155 -1.462 -1.233) 1.919 7.879 ( -0.429 0.698 1.927) 2.094 7.896 ( -0.605 -1.125 1.807) 2.213 8.239 ( 0.274 3.198 -1.166) 3.414 8.297 ( -0.383 -2.902 -2.218) 3.672 11.183 ( 0.083 0.262 0.929) 0.969 11.185 ( 0.080 0.062 0.824) 0.831 13.021 ( 0.113 1.211 -0.120) 1.222 13.043 ( 0.465 -1.092 -0.522) 1.297 16.411 ( 0.049 0.039 -0.004) 0.063 16.416 ( 0.303 -0.552 -0.117) 0.640 17.024 ( -0.284 2.558 0.333) 2.595 17.057 ( -0.333 -0.690 -0.360) 0.847 17.204 ( 0.458 0.086 -0.497) 0.681 17.215 ( 0.301 -0.930 -0.522) 1.108 17.439 ( -0.374 3.693 0.663) 3.771 17.510 ( -0.269 -3.707 -1.054) 3.863 17.905 ( -0.053 1.473 2.207) 2.654 17.940 ( -0.652 -2.176 1.527) 2.737 ======================= Grid point 91 (49/92) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 7.291 9.632 6.222) 13.588 1.158 ( 8.838 -4.922 4.948) 11.262 1.342 ( 3.150 9.766 -1.001) 10.310 1.499 ( 1.754 -5.027 2.193) 5.759 1.601 ( 1.766 1.661 -10.571) 10.845 1.672 ( 5.207 -6.786 -7.783) 11.565 1.823 ( -1.553 1.415 -0.582) 2.181 1.901 ( 0.526 -5.607 -2.394) 6.119 2.128 ( 0.615 4.785 5.763) 7.516 2.220 ( 0.156 -5.124 5.419) 7.459 2.484 ( -1.298 4.002 6.269) 7.550 2.554 ( -1.252 -2.882 3.387) 4.620 2.910 ( -1.264 2.378 -1.826) 3.254 2.931 ( -0.106 0.347 -1.927) 1.961 3.034 ( 2.552 1.418 1.926) 3.497 3.053 ( 1.246 1.034 1.002) 1.904 3.079 ( -1.768 4.613 -0.476) 4.963 3.246 ( -0.596 -9.848 -0.466) 9.877 3.476 ( -0.765 2.544 -5.068) 5.722 3.505 ( -1.787 -0.681 -2.289) 2.983 3.629 ( -0.177 2.362 -1.142) 2.630 3.697 ( 0.534 -4.388 -1.869) 4.799 4.003 ( -0.962 1.185 -0.553) 1.624 4.033 ( -0.514 -2.021 -0.622) 2.176 4.131 ( 4.620 1.113 -0.745) 4.810 4.148 ( 5.230 -0.702 -0.698) 5.323 4.740 ( -0.337 1.971 0.389) 2.037 4.771 ( 0.085 -1.038 -0.585) 1.195 4.836 ( 1.486 1.560 0.632) 2.245 4.855 ( 2.139 -0.509 1.185) 2.498 5.553 ( 1.256 0.606 -0.732) 1.575 5.585 ( 1.661 -2.626 -1.432) 3.421 5.721 ( -0.844 1.850 2.907) 3.547 5.749 ( -1.040 -1.184 1.893) 2.463 5.812 ( 1.012 0.772 -0.446) 1.349 5.815 ( 1.011 0.249 -0.897) 1.375 6.715 ( 2.095 0.592 -0.042) 2.177 6.729 ( 2.717 -0.832 -0.267) 2.854 7.313 ( -0.526 0.624 -0.397) 0.907 7.324 ( -0.854 -0.518 0.110) 1.004 7.388 ( 2.120 0.943 -0.602) 2.397 7.413 ( 1.697 -1.555 -0.659) 2.394 7.881 ( -1.994 0.402 2.115) 2.934 7.891 ( -2.304 -0.626 1.686) 2.922 8.225 ( -0.490 1.836 -1.057) 2.174 8.256 ( -1.035 -1.440 -1.992) 2.667 11.186 ( -0.713 0.549 0.793) 1.200 11.194 ( -0.302 -0.225 0.815) 0.898 13.014 ( -0.814 1.180 -0.115) 1.439 13.034 ( -0.801 -0.873 -0.619) 1.337 16.418 ( 0.830 0.305 -0.087) 0.888 16.428 ( 1.172 -0.757 -0.124) 1.401 17.023 ( -0.329 1.920 0.254) 1.965 17.045 ( -0.315 -0.240 -0.451) 0.600 17.236 ( 4.048 0.294 -0.956) 4.170 17.249 ( 3.703 -0.830 -0.529) 3.831 17.436 ( -1.065 2.831 0.985) 3.181 17.487 ( -0.959 -2.476 -1.255) 2.937 17.915 ( -1.852 0.011 2.526) 3.132 17.927 ( -2.338 -1.277 1.582) 3.099 ======================= Grid point 92 (50/92) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 7.705 8.294 3.420) 11.826 1.331 ( 8.370 -4.265 -4.179) 10.282 1.392 ( 4.404 4.131 -0.426) 6.053 1.469 ( 1.994 1.355 -10.736) 11.003 1.580 ( -0.542 -0.954 4.592) 4.721 1.682 ( 0.871 -7.591 -2.247) 7.964 1.781 ( -0.043 3.160 -0.917) 3.291 1.886 ( 1.874 -6.956 -1.959) 7.466 2.267 ( 4.731 1.863 7.196) 8.811 2.309 ( 1.899 -2.643 6.560) 7.323 2.529 ( 0.737 2.336 2.465) 3.475 2.558 ( 0.438 -0.808 -0.894) 1.282 2.868 ( -2.998 3.398 -0.005) 4.532 2.891 ( -2.263 1.455 -0.608) 2.758 3.056 ( 1.587 2.540 0.921) 3.134 3.089 ( 0.914 -1.588 0.560) 1.916 3.106 ( 3.015 4.626 1.134) 5.637 3.250 ( 0.846 -8.871 0.530) 8.926 3.420 ( -0.261 2.417 -3.243) 4.053 3.460 ( -0.752 -1.718 -1.621) 2.479 3.606 ( -1.396 2.755 -0.738) 3.176 3.669 ( -1.553 -3.673 -1.780) 4.367 4.005 ( 2.103 0.793 -0.284) 2.266 4.027 ( 1.392 -1.476 -0.595) 2.114 4.208 ( 4.108 1.682 -0.020) 4.439 4.236 ( 4.500 -1.192 0.491) 4.681 4.730 ( -0.989 1.934 -0.140) 2.177 4.758 ( -0.632 -0.767 -0.742) 1.240 4.870 ( 2.889 2.138 -0.731) 3.668 4.904 ( 2.960 -1.394 -0.225) 3.279 5.581 ( 2.116 0.137 0.417) 2.161 5.609 ( 2.166 -2.570 -0.285) 3.373 5.738 ( -1.064 1.314 2.082) 2.682 5.749 ( -1.150 0.152 0.806) 1.413 5.820 ( 1.560 0.701 -0.387) 1.753 5.833 ( 1.812 -0.558 -0.821) 2.066 6.755 ( 2.697 0.781 -0.180) 2.814 6.771 ( 2.869 -0.885 -0.705) 3.084 7.292 ( -0.889 0.598 -0.795) 1.334 7.305 ( -0.828 -0.736 -0.500) 1.216 7.430 ( 2.755 0.772 -0.155) 2.865 7.450 ( 2.475 -1.313 0.515) 2.849 7.857 ( -3.043 0.201 1.245) 3.294 7.861 ( -2.867 -0.206 1.306) 3.157 8.197 ( -1.116 2.346 -1.088) 2.817 8.236 ( -0.387 -1.773 -0.039) 1.815 11.178 ( -1.024 0.873 0.311) 1.381 11.191 ( -0.762 -0.540 0.362) 1.002 12.994 ( -1.238 0.928 -0.192) 1.559 13.007 ( -1.404 -0.405 -0.584) 1.574 16.434 ( 1.156 0.625 -0.202) 1.330 16.449 ( 1.409 -0.935 -0.266) 1.712 17.017 ( -0.540 1.625 0.178) 1.722 17.041 ( 0.095 -0.604 -0.091) 0.618 17.288 ( 2.837 1.145 -1.842) 3.571 17.309 ( 3.904 -0.789 -0.608) 4.029 17.436 ( -0.008 1.583 1.425) 2.130 17.460 ( -0.521 -0.705 -0.583) 1.053 17.894 ( -2.521 0.344 1.184) 2.807 17.918 ( -1.542 -2.350 2.122) 3.522 ======================= Grid point 93 (51/92) ======================= q-point: ( 0.33 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 6.380 4.448 -7.158) 10.570 1.336 ( 3.236 0.157 -8.564) 9.156 1.421 ( 5.887 6.972 -0.974) 9.177 1.533 ( 1.416 -1.991 5.906) 6.391 1.609 ( -0.002 -4.818 3.188) 5.777 1.653 ( -2.197 -7.446 1.768) 7.963 1.812 ( 1.716 3.428 0.800) 3.916 1.907 ( 0.141 -5.873 0.979) 5.956 2.359 ( 2.029 2.215 0.344) 3.024 2.401 ( 2.614 -1.840 -1.137) 3.393 2.557 ( 0.263 2.294 1.151) 2.580 2.575 ( 2.131 0.191 1.081) 2.397 2.825 ( -1.854 2.910 0.647) 3.511 2.851 ( -2.159 0.132 0.109) 2.166 3.103 ( 2.744 0.094 -1.789) 3.277 3.113 ( 1.860 -0.691 -0.423) 2.029 3.171 ( 2.959 4.562 2.777) 6.106 3.276 ( 0.618 -6.089 1.987) 6.435 3.401 ( 0.542 2.671 -0.923) 2.878 3.448 ( 0.140 -2.162 0.099) 2.169 3.569 ( -2.235 2.302 -0.166) 3.213 3.614 ( -3.029 -2.480 -0.614) 3.963 4.063 ( 4.197 0.190 0.549) 4.237 4.071 ( 3.583 -0.723 0.620) 3.707 4.250 ( 0.757 2.340 0.073) 2.460 4.291 ( 1.201 -1.882 0.587) 2.308 4.712 ( -0.665 2.182 -0.229) 2.292 4.739 ( -0.527 -0.427 -0.600) 0.906 4.918 ( 3.442 1.520 -0.447) 3.789 4.948 ( 2.896 -1.671 -0.633) 3.403 5.621 ( 1.618 -0.166 0.693) 1.768 5.642 ( 1.648 -2.112 0.098) 2.681 5.717 ( -1.017 1.469 -1.600) 2.398 5.732 ( -1.116 0.069 -0.612) 1.275 5.851 ( 1.527 0.191 0.712) 1.696 5.858 ( 1.483 -0.539 0.065) 1.579 6.796 ( 2.079 0.594 0.117) 2.166 6.807 ( 2.135 -0.520 -0.455) 2.244 7.274 ( -0.344 0.844 -0.351) 0.977 7.295 ( -0.030 -1.333 0.157) 1.342 7.465 ( 1.617 1.419 -0.307) 2.174 7.494 ( 1.785 -1.566 0.430) 2.413 7.820 ( -2.296 0.353 0.596) 2.399 7.827 ( -2.489 -0.316 0.783) 2.628 8.173 ( -0.760 3.359 -0.283) 3.455 8.231 ( -0.487 -2.703 0.311) 2.764 11.162 ( -0.855 1.039 -0.202) 1.360 11.179 ( -0.780 -0.698 -0.234) 1.072 12.973 ( -0.936 0.642 -0.145) 1.144 12.980 ( -1.148 -0.029 -0.320) 1.193 16.450 ( 0.984 0.806 -0.169) 1.283 16.467 ( 1.118 -0.943 -0.359) 1.506 17.011 ( -0.543 1.724 0.490) 1.873 17.043 ( -0.122 -1.413 0.460) 1.491 17.293 ( 0.127 2.798 -0.372) 2.825 17.345 ( 0.852 -2.529 0.125) 2.672 17.466 ( 2.193 1.522 0.060) 2.670 17.472 ( 1.326 1.064 0.666) 1.826 17.863 ( -1.719 1.292 -0.494) 2.206 17.911 ( -0.986 -3.946 0.179) 4.071 ======================= Grid point 94 (52/92) ======================= q-point: ( 0.44 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 5.664 2.261 -2.463) 6.577 1.346 ( 6.353 0.211 -4.681) 7.894 1.480 ( 0.499 7.311 -0.664) 7.358 1.582 ( -2.916 -0.309 7.371) 7.933 1.660 ( 1.486 -6.599 0.085) 6.764 1.678 ( 0.798 -5.307 6.958) 8.787 1.834 ( 0.176 1.254 0.775) 1.485 1.890 ( -3.098 -4.766 0.563) 5.713 2.352 ( 0.654 2.453 -5.285) 5.863 2.389 ( 2.027 -1.101 -4.956) 5.466 2.553 ( -1.834 3.569 -0.373) 4.030 2.595 ( -1.314 -0.569 -1.721) 2.239 2.807 ( -1.617 1.724 -0.526) 2.421 2.827 ( -0.478 -0.638 -0.010) 0.797 3.116 ( 2.247 1.119 -1.462) 2.905 3.148 ( 2.948 -1.868 -0.522) 3.529 3.250 ( 0.405 2.415 4.723) 5.320 3.304 ( -1.805 -3.082 3.674) 5.124 3.415 ( 1.584 2.637 0.556) 3.126 3.459 ( 0.839 -1.563 0.350) 1.808 3.539 ( -1.005 1.283 0.170) 1.639 3.567 ( -2.058 -1.570 0.118) 2.591 4.135 ( 2.338 -0.232 1.158) 2.619 4.136 ( 2.150 -0.224 1.352) 2.550 4.246 ( -0.554 2.884 0.321) 2.954 4.295 ( -0.746 -2.151 0.228) 2.288 4.707 ( 0.050 2.086 0.376) 2.120 4.733 ( 0.251 -0.424 -0.029) 0.494 4.964 ( 1.793 1.138 0.363) 2.154 4.984 ( 1.629 -1.274 0.102) 2.070 5.635 ( -0.306 -0.075 -0.959) 1.009 5.654 ( 0.007 -1.922 -1.283) 2.311 5.687 ( 0.228 1.627 -1.750) 2.400 5.710 ( 0.287 -0.841 -1.363) 1.627 5.874 ( 0.207 0.267 0.569) 0.662 5.880 ( 0.708 -0.369 0.603) 1.000 6.821 ( 0.638 0.532 0.224) 0.861 6.832 ( 1.019 -0.581 0.097) 1.177 7.275 ( 0.335 1.395 0.639) 1.571 7.306 ( 0.298 -1.713 1.116) 2.066 7.477 ( 0.489 1.820 -0.575) 1.970 7.512 ( 0.260 -1.841 -0.287) 1.881 7.797 ( -1.150 0.159 0.456) 1.247 7.801 ( -1.194 -0.206 0.300) 1.248 8.166 ( -0.102 3.369 0.262) 3.380 8.224 ( -0.433 -2.747 -0.160) 2.786 11.148 ( -0.290 0.999 -0.504) 1.155 11.163 ( -0.328 -0.620 -0.739) 1.019 12.963 ( -0.168 0.428 0.046) 0.462 12.966 ( -0.347 0.213 0.007) 0.407 16.461 ( 0.454 0.811 -0.061) 0.932 16.477 ( 0.557 -0.839 -0.374) 1.074 17.013 ( -0.260 1.602 1.064) 1.941 17.045 ( -0.335 -1.672 0.715) 1.849 17.305 ( 0.352 3.437 2.206) 4.099 17.363 ( 0.086 -2.642 2.280) 3.491 17.489 ( 0.480 2.106 -0.356) 2.189 17.499 ( 1.177 0.718 -0.205) 1.394 17.824 ( -0.800 1.774 -2.671) 3.305 17.884 ( -0.809 -4.528 -2.596) 5.282 ======================= Grid point 95 (53/92) ======================= q-point: (-0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -1.941 7.436 -2.978) 8.242 1.430 ( 5.203 -0.916 -2.876) 6.015 1.454 ( -0.294 2.713 4.309) 5.100 1.583 ( -5.086 -8.025 1.686) 9.649 1.684 ( 0.894 4.044 4.430) 6.064 1.790 ( 3.032 -6.125 6.021) 9.108 1.832 ( -1.969 -0.182 0.287) 1.998 1.855 ( -0.851 -2.889 1.692) 3.454 2.300 ( 0.026 3.239 -4.791) 5.783 2.355 ( -1.350 -2.255 -5.023) 5.669 2.487 ( -1.772 0.991 -3.499) 4.045 2.503 ( -3.885 -0.438 -4.601) 6.038 2.784 ( 0.565 3.414 -0.213) 3.466 2.832 ( 1.350 -1.460 -0.086) 1.990 3.126 ( -1.492 2.688 -0.328) 3.092 3.179 ( 0.143 -2.270 -0.447) 2.318 3.267 ( -3.791 -0.814 4.063) 5.616 3.275 ( -5.248 -1.136 2.783) 6.048 3.461 ( 1.566 2.778 1.638) 3.585 3.498 ( 2.702 -0.690 1.299) 3.076 3.543 ( 1.421 0.591 0.103) 1.542 3.565 ( 2.249 -1.633 0.282) 2.794 4.131 ( -3.277 1.221 0.978) 3.632 4.156 ( -2.404 -1.272 1.883) 3.308 4.261 ( 1.048 2.044 0.586) 2.370 4.293 ( 0.520 -1.205 0.152) 1.321 4.717 ( 0.270 1.880 0.554) 1.978 4.744 ( 0.788 -0.802 0.228) 1.147 4.978 ( -0.991 1.259 0.938) 1.857 4.995 ( -0.964 -0.683 0.399) 1.247 5.603 ( -0.611 0.081 -2.338) 2.418 5.620 ( -0.106 -1.411 -3.126) 3.431 5.685 ( 0.030 0.826 -0.332) 0.891 5.706 ( 0.205 -1.358 -0.936) 1.662 5.875 ( -0.772 0.953 0.558) 1.347 5.889 ( -0.226 -0.620 0.388) 0.766 6.823 ( -0.722 0.673 0.372) 1.055 6.840 ( -0.271 -1.045 0.212) 1.100 7.295 ( 0.504 1.570 1.433) 2.184 7.320 ( -0.206 -0.905 1.076) 1.421 7.474 ( -0.103 0.790 -0.337) 0.865 7.497 ( -1.147 -1.483 -0.984) 2.118 7.792 ( -0.026 0.189 0.357) 0.405 7.796 ( 0.201 -0.308 0.240) 0.440 8.177 ( 0.872 2.342 0.761) 2.612 8.216 ( 0.065 -1.729 -0.632) 1.841 11.142 ( 0.299 0.834 -0.589) 1.064 11.154 ( 0.365 -0.411 -0.955) 1.101 12.966 ( 0.410 0.521 0.107) 0.671 12.970 ( 0.745 0.129 0.090) 0.761 16.462 ( -0.227 0.695 -0.028) 0.731 16.476 ( -0.118 -0.738 -0.408) 0.852 17.025 ( -0.065 1.272 1.463) 1.940 17.050 ( -0.027 -1.223 0.763) 1.442 17.351 ( 0.811 3.403 4.073) 5.369 17.389 ( -0.603 -0.403 1.990) 2.118 17.481 ( -0.898 1.020 -0.369) 1.409 17.501 ( -0.688 -1.180 0.947) 1.662 17.783 ( 0.484 1.569 -4.076) 4.394 17.832 ( -0.461 -3.645 -4.534) 5.836 ======================= Grid point 96 (54/92) ======================= q-point: (-0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -8.352 10.613 -4.944) 14.382 1.372 ( -7.140 -3.790 -7.292) 10.887 1.505 ( -3.606 -0.054 5.832) 6.857 1.542 ( -0.363 -3.182 3.817) 4.983 1.760 ( 1.891 2.996 -1.433) 3.822 1.820 ( -0.315 1.588 2.991) 3.401 1.843 ( 2.920 -2.128 -2.400) 4.338 1.915 ( 0.815 -5.870 7.973) 9.935 2.212 ( -7.159 1.434 -3.597) 8.139 2.240 ( -3.707 -1.386 -2.605) 4.738 2.409 ( -1.738 2.750 -2.767) 4.271 2.474 ( 1.023 -3.583 0.213) 3.733 2.830 ( 4.477 3.970 0.436) 6.000 2.883 ( 4.405 -1.308 0.925) 4.688 3.052 ( -4.776 3.205 -1.706) 6.000 3.117 ( -5.526 -3.259 -1.532) 6.596 3.208 ( -5.374 0.385 2.487) 5.933 3.246 ( -2.613 -3.667 1.006) 4.613 3.500 ( 1.010 3.720 1.774) 4.243 3.546 ( 0.936 -0.986 2.602) 2.936 3.593 ( 3.725 1.030 -0.310) 3.877 3.631 ( 4.416 -2.428 -0.389) 5.054 4.077 ( -3.903 2.002 0.871) 4.472 4.115 ( -4.083 -1.831 1.509) 4.722 4.269 ( -0.881 1.955 0.257) 2.159 4.299 ( -1.098 -1.053 0.862) 1.749 4.724 ( 0.217 1.905 0.079) 1.919 4.759 ( 0.911 -1.568 -0.155) 1.820 4.947 ( -3.639 1.088 0.366) 3.815 4.956 ( -3.671 0.218 -0.457) 3.706 5.580 ( 0.304 0.520 -1.005) 1.171 5.602 ( 1.081 -1.619 -1.324) 2.355 5.672 ( -0.937 0.491 -0.785) 1.317 5.691 ( -0.519 -1.546 -1.311) 2.093 5.863 ( -1.204 1.348 0.508) 1.877 5.881 ( -1.138 -0.582 0.302) 1.314 6.804 ( -2.060 0.826 0.271) 2.236 6.825 ( -1.693 -1.413 0.009) 2.205 7.316 ( 0.077 0.904 0.878) 1.262 7.321 ( -0.234 0.564 0.315) 0.687 7.458 ( -1.799 -0.222 -1.060) 2.099 7.468 ( -0.858 -1.139 0.439) 1.492 7.804 ( 0.971 0.251 0.398) 1.079 7.811 ( 1.175 -0.543 0.448) 1.370 8.208 ( 1.263 1.004 0.555) 1.706 8.220 ( 1.535 -0.253 -0.064) 1.557 11.144 ( 0.676 0.778 -0.549) 1.168 11.155 ( 0.834 -0.350 -0.719) 1.155 12.978 ( 0.972 0.807 -0.053) 1.265 12.988 ( 1.396 -0.177 -0.179) 1.418 16.453 ( -0.840 0.485 -0.055) 0.971 16.464 ( -0.772 -0.656 -0.465) 1.115 17.036 ( -0.356 1.502 1.130) 1.913 17.060 ( 0.078 -0.865 0.799) 1.180 17.363 ( -2.607 2.456 -1.104) 3.748 17.402 ( -0.776 0.465 3.279) 3.402 17.438 ( -2.689 2.053 -0.536) 3.426 17.525 ( -0.570 -4.714 3.876) 6.130 17.765 ( 2.523 1.233 -3.200) 4.257 17.791 ( 1.786 -1.628 -3.571) 4.311 ======================= Grid point 97 (55/92) ======================= q-point: (-0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -8.507 9.618 -2.496) 13.081 1.133 ( -8.867 -0.257 -9.346) 12.885 1.467 ( -8.691 2.984 6.898) 11.490 1.551 ( -3.814 -4.475 2.918) 6.564 1.726 ( 1.142 1.619 -6.781) 7.065 1.784 ( -1.234 -2.768 -4.413) 5.353 1.926 ( 1.244 3.937 3.775) 5.595 1.993 ( -1.141 -3.213 3.197) 4.675 2.102 ( -1.234 -0.465 -0.877) 1.584 2.146 ( -2.401 -3.779 -1.254) 4.650 2.384 ( -2.206 5.282 3.757) 6.847 2.492 ( -2.123 -5.422 4.390) 7.292 2.917 ( 4.317 3.991 -1.643) 6.104 2.961 ( 1.052 1.267 -0.303) 1.675 2.995 ( 1.442 -2.024 -0.202) 2.493 3.007 ( -3.199 -1.651 -1.349) 3.844 3.157 ( -3.119 0.964 2.160) 3.915 3.209 ( -1.492 -4.381 -0.350) 4.642 3.532 ( 0.909 3.907 1.138) 4.170 3.591 ( 1.013 -1.962 2.266) 3.164 3.634 ( 2.265 1.606 -2.007) 3.426 3.679 ( 2.535 -2.554 -1.455) 3.882 4.027 ( -2.628 1.926 0.070) 3.259 4.065 ( -2.903 -1.796 0.131) 3.416 4.237 ( -3.385 1.915 0.560) 3.930 4.269 ( -3.711 -1.387 1.243) 4.152 4.729 ( 0.470 2.052 -0.065) 2.106 4.771 ( 1.005 -2.144 -0.633) 2.451 4.871 ( -4.578 0.915 -0.869) 4.749 4.876 ( -4.698 0.348 -0.767) 4.773 5.594 ( 0.568 1.584 1.344) 2.154 5.624 ( 1.012 -1.375 0.856) 1.910 5.641 ( -0.918 0.710 -1.258) 1.711 5.670 ( 0.753 -2.351 -1.220) 2.754 5.845 ( -1.541 1.167 0.168) 1.940 5.860 ( -1.698 -0.407 0.186) 1.756 6.761 ( -3.063 0.831 -0.094) 3.175 6.782 ( -3.175 -1.367 -0.484) 3.490 7.309 ( -0.070 1.216 -0.775) 1.444 7.328 ( -0.028 -0.474 0.141) 0.495 7.421 ( -1.515 1.280 -0.304) 2.006 7.455 ( -1.413 -2.004 0.581) 2.520 7.829 ( 1.283 0.446 0.655) 1.508 7.842 ( 1.535 -0.919 0.847) 1.980 8.225 ( 1.298 2.480 -0.501) 2.843 8.266 ( 2.525 -1.676 0.755) 3.123 11.153 ( 0.845 0.753 -0.189) 1.148 11.164 ( 0.758 -0.360 -0.203) 0.863 12.996 ( 1.251 0.995 -0.185) 1.609 13.010 ( 1.676 -0.466 -0.508) 1.812 16.435 ( -1.130 0.201 -0.067) 1.150 16.442 ( -1.101 -0.537 -0.471) 1.313 17.037 ( -0.700 2.201 0.588) 2.384 17.065 ( -0.325 -0.648 0.425) 0.840 17.297 ( -3.403 1.632 -1.346) 4.007 17.342 ( -5.114 -3.234 -0.683) 6.089 17.436 ( -0.427 4.952 1.150) 5.102 17.536 ( -1.212 -5.343 1.035) 5.575 17.801 ( 3.700 1.744 -0.169) 4.094 17.829 ( 4.172 -1.167 0.424) 4.353 ======================= Grid point 98 (56/92) ======================= q-point: (-0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -7.070 8.293 0.993) 10.943 0.946 ( -1.919 4.264 -3.674) 5.947 1.383 ( -9.331 5.620 6.403) 12.635 1.501 ( -4.591 -5.494 1.999) 7.434 1.674 ( 2.185 -0.154 -6.905) 7.244 1.715 ( -0.993 -2.926 -3.550) 4.706 1.900 ( -2.421 1.585 -3.050) 4.205 1.946 ( -2.165 -3.705 -3.676) 5.651 2.114 ( 0.482 3.440 3.213) 4.732 2.191 ( 1.852 -4.001 2.652) 5.145 2.413 ( -1.810 4.097 6.743) 8.095 2.505 ( -2.958 -4.991 6.078) 8.402 2.902 ( 0.329 0.824 -2.204) 2.376 2.929 ( -0.659 -2.089 -1.818) 2.846 3.003 ( 0.506 2.520 0.610) 2.641 3.029 ( -0.884 -0.470 0.741) 1.245 3.154 ( 1.484 2.188 -2.005) 3.318 3.223 ( 2.435 -5.053 1.016) 5.700 3.552 ( 0.683 3.818 -0.003) 3.878 3.608 ( 0.406 -1.011 -3.401) 3.571 3.637 ( 0.844 0.934 0.066) 1.261 3.690 ( 1.144 -3.135 -1.680) 3.736 3.999 ( -0.111 1.165 -0.637) 1.332 4.028 ( -0.736 -1.724 -0.940) 2.098 4.172 ( -4.670 2.150 0.042) 5.141 4.208 ( -4.613 -1.682 0.508) 4.936 4.736 ( 0.217 2.577 -0.177) 2.592 4.778 ( 0.542 -1.596 -0.622) 1.796 4.800 ( -2.728 0.573 -0.240) 2.798 4.812 ( -1.998 -0.711 1.160) 2.417 5.587 ( -1.176 1.013 -1.016) 1.855 5.604 ( -0.970 -0.898 -1.172) 1.766 5.670 ( 1.930 1.960 1.934) 3.363 5.711 ( 2.218 -2.311 1.986) 3.769 5.814 ( -1.884 0.985 -0.322) 2.150 5.832 ( -1.386 -0.820 -0.414) 1.663 6.712 ( -2.287 0.468 -0.085) 2.336 6.722 ( -2.787 -0.601 -0.467) 2.889 7.303 ( 0.325 1.021 -0.558) 1.208 7.325 ( -0.122 -1.073 -0.089) 1.084 7.401 ( -0.764 1.618 -0.304) 1.815 7.434 ( -1.201 -1.735 -0.264) 2.127 7.858 ( 0.781 0.698 1.216) 1.605 7.875 ( 0.868 -1.203 1.352) 2.007 8.239 ( 1.055 3.633 -0.851) 3.878 8.303 ( 1.563 -3.129 -0.643) 3.556 11.167 ( 0.711 0.548 0.440) 1.000 11.175 ( 0.388 -0.191 0.429) 0.609 13.013 ( 0.974 1.075 -0.177) 1.462 13.032 ( 1.477 -0.799 -0.545) 1.765 16.417 ( -0.806 -0.003 -0.048) 0.807 16.422 ( -0.686 -0.466 -0.296) 0.881 17.028 ( -0.725 2.679 0.322) 2.794 17.062 ( -0.142 -0.721 -0.082) 0.740 17.231 ( -2.706 0.640 -0.791) 2.891 17.255 ( -3.910 -2.203 -0.643) 4.533 17.438 ( -0.229 4.357 0.426) 4.384 17.523 ( -0.358 -4.601 -0.605) 4.654 17.865 ( 2.422 2.142 1.601) 3.608 17.905 ( 2.634 -2.151 1.839) 3.866 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -5.089 0.000 17.410) 18.139 0.959 ( 0.275 0.000 18.155) 18.158 1.229 ( 6.353 0.000 -5.364) 8.315 1.407 ( -3.344 0.000 -16.580) 16.914 1.622 ( -6.309 0.000 25.303) 26.078 1.886 ( 3.196 0.000 -5.868) 6.682 1.946 ( -3.823 0.000 8.593) 9.405 2.020 ( 0.856 0.000 -0.503) 0.993 2.046 ( -0.083 0.000 -2.608) 2.610 2.372 ( 5.679 0.000 -22.122) 22.840 2.476 ( -0.508 0.000 4.436) 4.465 2.513 ( 0.172 0.000 -1.669) 1.678 2.734 ( -2.160 0.000 1.331) 2.537 2.794 ( 1.356 0.000 -5.099) 5.277 2.913 ( -0.538 0.000 0.139) 0.556 2.924 ( 0.921 0.000 -0.990) 1.352 3.103 ( 2.585 0.000 5.137) 5.751 3.186 ( -0.780 0.000 -2.573) 2.689 3.566 ( 0.084 0.000 4.536) 4.536 3.641 ( -3.633 0.000 -1.733) 4.025 3.684 ( 4.093 0.000 -0.465) 4.120 3.705 ( 1.393 0.000 -3.435) 3.706 4.090 ( 1.949 0.000 2.833) 3.439 4.106 ( -0.116 0.000 -0.011) 0.116 4.154 ( -5.680 0.000 1.622) 5.907 4.238 ( 0.027 0.000 -5.134) 5.134 4.667 ( 1.518 0.000 2.947) 3.315 4.733 ( -2.277 0.000 -3.393) 4.086 4.799 ( -2.087 0.000 0.899) 2.272 4.811 ( 1.980 0.000 -0.326) 2.007 5.614 ( -1.016 0.000 0.585) 1.173 5.615 ( 0.586 0.000 3.978) 4.021 5.633 ( -1.141 0.000 1.125) 1.602 5.726 ( 2.020 0.000 -4.206) 4.666 5.808 ( -0.756 0.000 -0.408) 0.859 5.814 ( 0.655 0.000 -0.870) 1.089 6.700 ( -0.429 0.000 0.626) 0.759 6.709 ( 1.473 0.000 -0.316) 1.507 7.370 ( 1.259 0.000 0.611) 1.399 7.378 ( -2.253 0.000 -0.197) 2.261 7.409 ( 2.220 0.000 0.382) 2.253 7.418 ( -2.753 0.000 -0.415) 2.784 7.898 ( 0.650 0.000 1.984) 2.088 7.935 ( -0.599 0.000 -1.501) 1.617 8.205 ( -3.894 0.000 0.190) 3.898 8.207 ( 4.725 0.000 -0.007) 4.725 11.182 ( -0.758 0.000 0.656) 1.002 11.185 ( 0.728 0.000 0.394) 0.828 12.977 ( -0.291 0.000 0.959) 1.002 13.006 ( 1.060 0.000 -1.749) 2.045 16.435 ( -1.055 0.000 0.435) 1.141 16.442 ( 1.116 0.000 -0.260) 1.145 16.939 ( 0.961 0.000 1.544) 1.819 16.976 ( -1.082 0.000 -2.044) 2.313 17.196 ( 1.111 0.000 1.749) 2.072 17.226 ( -1.716 0.000 -1.182) 2.084 17.398 ( -1.036 0.000 5.129) 5.233 17.516 ( 0.816 0.000 -6.435) 6.486 18.030 ( 2.673 0.000 5.054) 5.717 18.119 ( -4.700 0.000 -3.746) 6.010 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -0.861 0.000 12.882) 12.911 1.067 ( 3.362 0.000 0.036) 3.362 1.144 ( -4.212 0.000 -17.648) 18.144 1.335 ( 4.509 0.000 6.836) 8.189 1.809 ( 3.287 0.000 8.623) 9.228 1.882 ( 2.665 0.000 -3.784) 4.628 1.969 ( -4.029 0.000 5.966) 7.199 2.083 ( 7.539 0.000 -2.310) 7.885 2.155 ( 5.311 0.000 14.947) 15.863 2.238 ( 10.191 0.000 -24.354) 26.400 2.491 ( -2.147 0.000 1.445) 2.588 2.491 ( -1.496 0.000 -1.005) 1.802 2.732 ( -1.283 0.000 4.494) 4.674 2.789 ( 2.681 0.000 -2.752) 3.842 2.908 ( 0.035 0.000 0.686) 0.687 2.933 ( 1.214 0.000 -1.020) 1.586 3.127 ( -0.469 0.000 -4.957) 4.979 3.172 ( 0.309 0.000 2.664) 2.682 3.564 ( -2.644 0.000 -1.806) 3.202 3.609 ( -2.404 0.000 6.280) 6.724 3.665 ( -1.060 0.000 -5.452) 5.554 3.746 ( 4.976 0.000 -1.649) 5.242 4.076 ( -1.760 0.000 -1.099) 2.075 4.081 ( -4.826 0.000 1.327) 5.005 4.176 ( 2.784 0.000 5.555) 6.214 4.240 ( 2.553 0.000 -0.153) 2.558 4.664 ( -1.363 0.000 -2.451) 2.804 4.701 ( -2.233 0.000 2.906) 3.665 4.796 ( 0.930 0.000 0.817) 1.238 4.854 ( 3.610 0.000 -0.525) 3.648 5.609 ( -0.357 0.000 -0.385) 0.525 5.652 ( 2.273 0.000 0.489) 2.325 5.659 ( -0.439 0.000 3.547) 3.574 5.720 ( 3.388 0.000 -4.499) 5.632 5.806 ( 0.420 0.000 0.871) 0.967 5.830 ( 1.862 0.000 -0.685) 1.984 6.707 ( 1.134 0.000 0.025) 1.135 6.732 ( 2.264 0.000 -1.376) 2.649 7.352 ( -0.890 0.000 0.779) 1.183 7.359 ( -3.061 0.000 0.066) 3.062 7.422 ( 2.892 0.000 1.089) 3.091 7.443 ( 0.875 0.000 0.037) 0.876 7.890 ( -2.254 0.000 -1.812) 2.892 7.912 ( -1.535 0.000 1.798) 2.364 8.127 ( -4.484 0.000 -0.729) 4.542 8.260 ( 2.041 0.000 -0.177) 2.049 11.169 ( -1.259 0.000 0.142) 1.267 11.195 ( 0.198 0.000 -0.180) 0.267 12.975 ( -1.058 0.000 0.721) 1.281 12.989 ( -0.518 0.000 -1.623) 1.704 16.426 ( -0.441 0.000 0.320) 0.545 16.461 ( 1.469 0.000 -0.418) 1.528 16.948 ( 0.285 0.000 -1.705) 1.728 16.981 ( 1.730 0.000 1.831) 2.519 17.215 ( 1.981 0.000 -1.723) 2.626 17.238 ( 0.776 0.000 1.996) 2.142 17.434 ( -1.885 0.000 5.842) 6.139 17.460 ( 0.447 0.000 -5.125) 5.145 18.004 ( -4.812 0.000 -2.828) 5.581 18.123 ( 1.421 0.000 5.309) 5.496 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 5.022 0.000 -17.631) 18.333 1.115 ( 9.563 0.000 -10.173) 13.962 1.155 ( -1.249 0.000 13.070) 13.129 1.505 ( 2.441 0.000 12.708) 12.940 1.905 ( 2.352 0.000 0.706) 2.456 1.921 ( 1.262 0.000 2.294) 2.619 1.980 ( -0.454 0.000 7.733) 7.746 2.161 ( 12.886 0.000 -23.258) 26.589 2.186 ( 5.828 0.000 -3.718) 6.913 2.385 ( 3.267 0.000 9.118) 9.685 2.416 ( -6.633 0.000 -1.441) 6.788 2.448 ( -0.556 0.000 -3.421) 3.466 2.792 ( -0.889 0.000 7.423) 7.476 2.817 ( 3.781 0.000 -1.846) 4.208 2.938 ( 0.791 0.000 -1.144) 1.391 2.965 ( 4.560 0.000 4.480) 6.392 3.104 ( 2.708 0.000 -1.207) 2.965 3.179 ( -1.491 0.000 0.335) 1.528 3.521 ( -1.554 0.000 -0.318) 1.586 3.558 ( -3.790 0.000 -4.058) 5.553 3.621 ( -3.725 0.000 5.280) 6.462 3.797 ( 2.488 0.000 -2.161) 3.296 4.027 ( -2.232 0.000 0.623) 2.317 4.056 ( 0.660 0.000 -0.201) 0.690 4.276 ( 1.361 0.000 -0.560) 1.472 4.290 ( 2.268 0.000 6.135) 6.540 4.640 ( 0.531 0.000 -0.870) 1.020 4.677 ( -3.411 0.000 2.965) 4.519 4.824 ( 1.547 0.000 -0.229) 1.564 4.918 ( 5.158 0.000 -1.356) 5.334 5.587 ( -0.323 0.000 -2.036) 2.062 5.676 ( -1.130 0.000 1.863) 2.179 5.707 ( 2.863 0.000 1.021) 3.039 5.742 ( 3.527 0.000 -2.598) 4.381 5.831 ( 1.055 0.000 0.729) 1.283 5.850 ( 1.797 0.000 -1.579) 2.392 6.746 ( 2.552 0.000 1.285) 2.857 6.760 ( 2.857 0.000 -0.957) 3.013 7.312 ( -2.528 0.000 -0.113) 2.530 7.366 ( 0.825 0.000 1.757) 1.941 7.424 ( -1.987 0.000 -1.914) 2.759 7.487 ( 3.153 0.000 0.958) 3.295 7.844 ( -1.125 0.000 -0.613) 1.282 7.888 ( -3.127 0.000 1.223) 3.358 8.062 ( -2.326 0.000 -0.249) 2.339 8.278 ( 0.829 0.000 -0.864) 1.197 11.146 ( -1.506 0.000 -0.164) 1.515 11.187 ( -0.344 0.000 -1.008) 1.065 12.960 ( -1.162 0.000 0.070) 1.164 12.962 ( -1.030 0.000 -0.801) 1.304 16.428 ( 0.131 0.000 0.598) 0.612 16.478 ( 1.220 0.000 -0.705) 1.409 16.948 ( 1.523 0.000 -1.068) 1.860 17.029 ( 1.764 0.000 1.289) 2.184 17.244 ( 3.223 0.000 -1.422) 3.523 17.249 ( -2.056 0.000 1.871) 2.780 17.433 ( 0.951 0.000 -1.820) 2.053 17.463 ( -2.189 0.000 6.202) 6.577 17.896 ( -4.109 0.000 -3.407) 5.338 18.171 ( -1.113 0.000 2.083) 2.362 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 15.038 0.000 -3.265) 15.388 1.173 ( 12.013 0.000 -11.968) 16.958 1.241 ( -4.074 0.000 9.958) 10.759 1.663 ( 1.040 0.000 9.947) 10.001 1.904 ( -5.870 0.000 4.479) 7.384 1.960 ( 0.528 0.000 3.168) 3.211 2.080 ( 3.623 0.000 -12.771) 13.275 2.119 ( 4.237 0.000 7.001) 8.184 2.245 ( -7.990 0.000 -4.072) 8.967 2.270 ( 11.368 0.000 -10.174) 15.256 2.417 ( 3.731 0.000 -5.313) 6.493 2.476 ( -0.694 0.000 3.948) 4.008 2.827 ( -2.823 0.000 4.616) 5.411 2.870 ( 5.010 0.000 -2.609) 5.649 2.932 ( 0.384 0.000 -1.832) 1.872 3.095 ( -0.497 0.000 1.969) 2.031 3.132 ( 1.096 0.000 -0.422) 1.174 3.189 ( 3.661 0.000 5.766) 6.830 3.471 ( -2.588 0.000 2.179) 3.383 3.542 ( 1.055 0.000 1.725) 2.022 3.591 ( -4.310 0.000 1.205) 4.475 3.759 ( -3.448 0.000 -2.324) 4.158 4.040 ( 3.236 0.000 -0.432) 3.265 4.094 ( 3.244 0.000 0.865) 3.357 4.264 ( -0.721 0.000 -2.291) 2.401 4.347 ( -1.866 0.000 2.902) 3.450 4.655 ( 1.056 0.000 0.693) 1.263 4.675 ( -1.776 0.000 4.673) 5.000 4.847 ( 2.255 0.000 -0.763) 2.380 4.983 ( 4.558 0.000 -2.455) 5.177 5.569 ( 0.726 0.000 -1.518) 1.683 5.663 ( -1.824 0.000 0.500) 1.892 5.755 ( 1.189 0.000 1.229) 1.710 5.768 ( 1.818 0.000 -1.246) 2.204 5.852 ( 1.488 0.000 -0.569) 1.593 5.856 ( 1.972 0.000 -2.549) 3.223 6.805 ( 1.583 0.000 2.548) 3.000 6.807 ( 3.119 0.000 0.091) 3.121 7.275 ( -1.620 0.000 -0.199) 1.632 7.358 ( -2.136 0.000 -2.671) 3.419 7.414 ( 2.110 0.000 2.227) 3.068 7.537 ( 1.888 0.000 0.246) 1.904 7.832 ( -0.494 0.000 -0.017) 0.495 7.843 ( -3.262 0.000 0.715) 3.339 8.051 ( -0.161 0.000 1.911) 1.918 8.269 ( 0.143 0.000 -2.225) 2.229 11.119 ( -1.292 0.000 -0.157) 1.301 11.164 ( -0.552 0.000 -1.678) 1.766 12.941 ( -0.771 0.000 -0.117) 0.780 12.944 ( -0.706 0.000 -0.086) 0.711 16.441 ( 0.258 0.000 1.006) 1.039 16.486 ( 0.808 0.000 -0.891) 1.203 16.976 ( 2.531 0.000 0.020) 2.531 17.065 ( 1.315 0.000 0.570) 1.434 17.222 ( -2.740 0.000 1.263) 3.017 17.267 ( 0.410 0.000 -1.102) 1.176 17.449 ( 0.630 0.000 2.200) 2.288 17.515 ( 0.217 0.000 7.291) 7.294 17.794 ( -2.805 0.000 -4.641) 5.423 18.123 ( -2.985 0.000 -4.254) 5.197 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -4.860 0.000 5.788) 7.558 1.255 ( 11.929 0.000 -9.970) 15.547 1.315 ( 12.418 0.000 8.484) 15.039 1.706 ( -9.303 0.000 4.393) 10.288 1.841 ( -4.441 0.000 3.543) 5.681 1.953 ( -0.166 0.000 -3.230) 3.234 2.047 ( 1.270 0.000 -2.679) 2.965 2.069 ( -2.866 0.000 -4.245) 5.122 2.280 ( 0.807 0.000 8.588) 8.626 2.340 ( 9.478 0.000 -7.053) 11.814 2.448 ( -5.569 0.000 -0.094) 5.570 2.461 ( 6.195 0.000 -4.518) 7.668 2.801 ( -4.204 0.000 3.114) 5.231 2.896 ( 1.502 0.000 -4.379) 4.629 2.940 ( 4.689 0.000 -2.220) 5.188 3.005 ( -5.034 0.000 -1.402) 5.225 3.225 ( 3.956 0.000 4.102) 5.699 3.306 ( 0.347 0.000 6.408) 6.417 3.484 ( -0.164 0.000 2.604) 2.609 3.517 ( -1.982 0.000 -2.593) 3.263 3.586 ( 1.353 0.000 1.591) 2.089 3.669 ( -4.375 0.000 -1.306) 4.565 4.100 ( 3.578 0.000 0.233) 3.585 4.174 ( 3.145 0.000 2.869) 4.257 4.212 ( -0.907 0.000 -3.634) 3.745 4.305 ( -4.088 0.000 -0.269) 4.097 4.685 ( 1.181 0.000 1.221) 1.699 4.697 ( -1.595 0.000 3.468) 3.817 4.887 ( 1.999 0.000 1.419) 2.451 5.002 ( 1.466 0.000 -3.608) 3.894 5.580 ( 1.728 0.000 -0.257) 1.747 5.628 ( -2.266 0.000 -0.513) 2.323 5.770 ( -0.352 0.000 0.607) 0.702 5.776 ( 0.570 0.000 -0.589) 0.819 5.864 ( 1.587 0.000 -1.786) 2.390 5.865 ( 0.883 0.000 -1.005) 1.338 6.843 ( -0.167 0.000 2.188) 2.194 6.855 ( 2.210 0.000 0.191) 2.218 7.257 ( -0.527 0.000 0.410) 0.668 7.305 ( -1.122 0.000 -2.118) 2.397 7.476 ( 2.045 0.000 2.440) 3.184 7.550 ( -0.172 0.000 -0.728) 0.748 7.806 ( -1.842 0.000 0.705) 1.972 7.820 ( -0.324 0.000 -0.655) 0.731 8.090 ( 0.763 0.000 3.867) 3.942 8.234 ( -0.478 0.000 -3.619) 3.650 11.104 ( -0.550 0.000 0.259) 0.608 11.137 ( -0.268 0.000 -1.816) 1.835 12.934 ( -0.133 0.000 0.098) 0.166 12.935 ( -0.225 0.000 0.002) 0.225 16.455 ( -0.047 0.000 1.179) 1.180 16.486 ( 0.456 0.000 -0.997) 1.096 17.031 ( 3.122 0.000 1.010) 3.281 17.082 ( 0.071 0.000 0.135) 0.152 17.195 ( -1.913 0.000 1.211) 2.264 17.235 ( -1.748 0.000 -1.602) 2.371 17.499 ( 0.783 0.000 4.704) 4.768 17.630 ( 2.134 0.000 9.566) 9.802 17.704 ( -0.971 0.000 -6.094) 6.171 17.996 ( -3.322 0.000 -8.729) 9.340 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -13.536 0.000 7.057) 15.265 1.328 ( 4.724 0.000 -7.656) 8.996 1.465 ( -13.470 0.000 -3.909) 14.026 1.648 ( 12.008 0.000 8.410) 14.660 1.833 ( -4.015 0.000 4.260) 5.854 1.936 ( 3.947 0.000 -3.900) 5.549 2.030 ( -1.198 0.000 -0.336) 1.245 2.034 ( -0.642 0.000 1.139) 1.308 2.287 ( -6.371 0.000 -2.524) 6.853 2.343 ( -7.827 0.000 6.932) 10.456 2.418 ( 5.046 0.000 -6.004) 7.843 2.496 ( 5.557 0.000 -4.064) 6.884 2.797 ( -1.623 0.000 5.454) 5.691 2.873 ( 2.022 0.000 -3.950) 4.437 2.916 ( -4.296 0.000 -0.003) 4.296 3.004 ( 4.521 0.000 -1.140) 4.662 3.286 ( -4.537 0.000 -1.011) 4.648 3.354 ( 5.430 0.000 4.423) 7.004 3.484 ( -1.132 0.000 -1.981) 2.282 3.519 ( 2.397 0.000 -0.672) 2.490 3.599 ( -2.679 0.000 0.076) 2.680 3.625 ( 1.332 0.000 2.464) 2.801 4.135 ( -2.894 0.000 -2.479) 3.811 4.151 ( 0.324 0.000 1.862) 1.890 4.226 ( -2.938 0.000 -1.904) 3.501 4.276 ( 4.236 0.000 2.278) 4.810 4.692 ( -1.614 0.000 0.945) 1.870 4.718 ( 1.431 0.000 0.895) 1.688 4.928 ( -0.721 0.000 3.195) 3.275 4.952 ( -2.100 0.000 -4.310) 4.795 5.583 ( -2.323 0.000 -0.579) 2.394 5.616 ( 2.109 0.000 0.623) 2.199 5.765 ( -0.877 0.000 0.449) 0.985 5.779 ( 0.526 0.000 -0.263) 0.589 5.854 ( -0.979 0.000 -0.867) 1.308 5.863 ( -0.023 0.000 -0.898) 0.898 6.846 ( -1.801 0.000 1.140) 2.132 6.878 ( 0.878 0.000 -0.902) 1.259 7.266 ( 0.319 0.000 1.522) 1.556 7.274 ( -0.296 0.000 -1.213) 1.249 7.517 ( -2.069 0.000 -1.559) 2.590 7.524 ( 0.678 0.000 1.810) 1.933 7.801 ( 0.011 0.000 1.085) 1.085 7.819 ( 1.196 0.000 -0.513) 1.301 8.150 ( 0.783 0.000 4.419) 4.488 8.178 ( -0.916 0.000 -4.438) 4.531 11.108 ( 0.289 0.000 0.884) 0.930 11.120 ( 0.385 0.000 -1.347) 1.401 12.935 ( 0.232 0.000 -0.054) 0.238 12.937 ( 0.456 0.000 -0.123) 0.472 16.464 ( -0.459 0.000 1.152) 1.241 16.479 ( 0.081 0.000 -1.116) 1.119 17.057 ( -2.473 0.000 -1.241) 2.767 17.079 ( 0.917 0.000 0.440) 1.017 17.198 ( 0.498 0.000 2.150) 2.207 17.205 ( 0.062 0.000 -0.411) 0.416 17.576 ( 1.671 0.000 5.670) 5.911 17.628 ( 0.325 0.000 -7.025) 7.033 17.784 ( 2.571 0.000 11.277) 11.566 17.838 ( -2.775 0.000 -10.185) 10.556 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -15.282 0.000 10.896) 18.769 1.030 ( -20.140 0.000 -7.198) 21.387 1.419 ( 4.894 0.000 -7.320) 8.805 1.773 ( -15.063 0.000 13.854) 20.465 1.789 ( 1.409 0.000 -1.997) 2.444 1.999 ( 1.016 0.000 -2.823) 3.001 2.026 ( -1.269 0.000 -1.514) 1.975 2.073 ( 8.250 0.000 5.815) 10.093 2.163 ( -4.623 0.000 -0.474) 4.647 2.287 ( -6.362 0.000 7.212) 9.617 2.341 ( -2.545 0.000 -8.348) 8.728 2.567 ( 6.893 0.000 -5.485) 8.809 2.831 ( -1.470 0.000 2.461) 2.867 2.883 ( -0.552 0.000 2.426) 2.488 2.887 ( 3.028 0.000 -1.986) 3.621 3.059 ( 2.672 0.000 1.197) 2.928 3.196 ( -3.349 0.000 -3.065) 4.540 3.364 ( -1.820 0.000 -10.665) 10.819 3.521 ( 3.324 0.000 7.948) 8.615 3.524 ( 0.429 0.000 -1.353) 1.420 3.581 ( 0.247 0.000 -1.770) 1.787 3.685 ( 1.011 0.000 4.087) 4.211 4.067 ( -1.556 0.000 -2.667) 3.088 4.105 ( -4.722 0.000 -0.122) 4.723 4.224 ( 1.182 0.000 1.272) 1.737 4.363 ( 3.431 0.000 1.726) 3.841 4.669 ( -1.561 0.000 -0.322) 1.594 4.747 ( 1.692 0.000 -0.880) 1.907 4.856 ( -3.862 0.000 -2.884) 4.820 4.923 ( -3.849 0.000 3.092) 4.938 5.545 ( -2.037 0.000 0.548) 2.110 5.657 ( 1.456 0.000 1.002) 1.767 5.748 ( -2.125 0.000 0.661) 2.225 5.787 ( 0.737 0.000 -1.234) 1.437 5.820 ( -2.097 0.000 0.361) 2.128 5.848 ( -0.619 0.000 -0.354) 0.713 6.809 ( -3.314 0.000 0.115) 3.316 6.863 ( -0.412 0.000 -2.676) 2.707 7.273 ( 1.039 0.000 -0.100) 1.044 7.300 ( 1.033 0.000 2.735) 2.923 7.456 ( -2.700 0.000 -1.774) 3.230 7.533 ( -1.308 0.000 0.734) 1.500 7.822 ( 0.869 0.000 1.029) 1.347 7.851 ( 2.898 0.000 -0.105) 2.900 8.113 ( -0.942 0.000 -4.137) 4.243 8.206 ( 0.386 0.000 3.839) 3.859 11.121 ( 1.038 0.000 -0.524) 1.163 11.130 ( 0.742 0.000 1.397) 1.582 12.942 ( 0.613 0.000 -0.097) 0.620 12.944 ( 0.702 0.000 -0.297) 0.762 16.464 ( -0.341 0.000 -1.198) 1.245 16.465 ( -0.833 0.000 1.093) 1.374 16.992 ( -2.958 0.000 -1.409) 3.277 17.073 ( -1.101 0.000 -0.200) 1.119 17.223 ( 1.501 0.000 0.699) 1.656 17.235 ( -0.027 0.000 2.036) 2.037 17.557 ( 0.644 0.000 -7.780) 7.806 17.656 ( 0.980 0.000 -0.574) 1.136 17.719 ( 1.376 0.000 -3.325) 3.598 17.958 ( 3.179 0.000 11.821) 12.241 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -17.279 0.000 4.140) 17.768 0.825 ( -13.947 0.000 15.808) 21.081 1.366 ( -2.430 0.000 -5.853) 6.337 1.653 ( -21.172 0.000 20.995) 29.817 1.737 ( -0.147 0.000 -8.442) 8.443 1.967 ( -1.602 0.000 -2.682) 3.124 1.971 ( -1.383 0.000 -1.792) 2.263 2.130 ( -0.988 0.000 1.443) 1.749 2.160 ( -1.218 0.000 -8.648) 8.734 2.299 ( 4.203 0.000 5.991) 7.318 2.325 ( -0.033 0.000 8.177) 8.177 2.592 ( 6.145 0.000 -9.244) 11.100 2.807 ( -2.077 0.000 -0.292) 2.097 2.900 ( 1.619 0.000 -2.980) 3.391 2.912 ( 0.018 0.000 1.733) 1.733 3.084 ( -4.626 0.000 -6.016) 7.589 3.137 ( 2.844 0.000 3.369) 4.409 3.178 ( -6.194 0.000 -9.286) 11.163 3.530 ( 0.177 0.000 0.460) 0.492 3.558 ( 2.494 0.000 -3.982) 4.699 3.650 ( 2.670 0.000 4.982) 5.653 3.725 ( -1.262 0.000 2.945) 3.204 4.044 ( 1.992 0.000 -1.560) 2.530 4.046 ( -2.283 0.000 0.669) 2.379 4.248 ( -0.769 0.000 1.889) 2.040 4.406 ( 1.608 0.000 -3.334) 3.702 4.636 ( -1.652 0.000 -0.310) 1.681 4.747 ( 2.001 0.000 -3.743) 4.244 4.802 ( -1.397 0.000 1.855) 2.322 4.878 ( -4.683 0.000 2.404) 5.264 5.534 ( -1.206 0.000 2.635) 2.898 5.673 ( -1.300 0.000 1.135) 1.726 5.708 ( -3.337 0.000 0.784) 3.428 5.756 ( -0.241 0.000 -2.901) 2.911 5.821 ( 0.158 0.000 1.070) 1.082 5.840 ( -0.115 0.000 -0.185) 0.217 6.750 ( -3.409 0.000 0.149) 3.412 6.799 ( -2.805 0.000 -4.112) 4.977 7.304 ( 2.286 0.000 0.522) 2.345 7.360 ( 1.277 0.000 2.997) 3.257 7.406 ( -0.312 0.000 -0.727) 0.792 7.499 ( -2.896 0.000 -0.228) 2.905 7.841 ( 0.478 0.000 0.017) 0.478 7.902 ( 3.120 0.000 -0.200) 3.126 8.072 ( 0.410 0.000 -1.531) 1.585 8.241 ( -0.429 0.000 2.609) 2.644 11.140 ( 1.308 0.000 0.198) 1.323 11.158 ( 0.595 0.000 1.533) 1.645 12.953 ( 0.733 0.000 0.109) 0.741 12.957 ( 1.007 0.000 0.253) 1.038 16.445 ( -0.411 0.000 -0.990) 1.072 16.460 ( -1.163 0.000 0.993) 1.529 16.940 ( -1.964 0.000 -0.307) 1.988 17.050 ( -1.045 0.000 -0.696) 1.255 17.221 ( -3.295 0.000 1.042) 3.456 17.262 ( 1.953 0.000 0.803) 2.112 17.472 ( -1.752 0.000 -6.460) 6.693 17.604 ( 2.146 0.000 -7.586) 7.883 17.809 ( 3.922 0.000 4.848) 6.235 18.135 ( 4.676 0.000 7.076) 8.482 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 0.423 0.000 22.663) 22.667 0.812 ( -10.050 0.000 18.291) 20.870 1.256 ( -4.121 0.000 -1.872) 4.526 1.562 ( -16.448 0.000 21.732) 27.254 1.606 ( -1.227 0.000 -13.307) 13.364 1.917 ( -0.741 0.000 -3.744) 3.817 1.937 ( -1.133 0.000 1.083) 1.567 2.057 ( -0.874 0.000 -5.381) 5.452 2.111 ( -2.830 0.000 -0.960) 2.988 2.412 ( 2.053 0.000 2.886) 3.542 2.419 ( 0.739 0.000 6.184) 6.228 2.567 ( 5.206 0.000 -13.673) 14.630 2.765 ( -2.307 0.000 -0.143) 2.312 2.867 ( 0.059 0.000 -7.841) 7.841 2.915 ( -0.760 0.000 0.873) 1.157 2.944 ( -2.362 0.000 -3.584) 4.292 3.042 ( -2.838 0.000 2.025) 3.487 3.195 ( 0.908 0.000 0.887) 1.269 3.528 ( 0.200 0.000 1.110) 1.128 3.612 ( 4.567 0.000 0.219) 4.572 3.698 ( -2.816 0.000 3.034) 4.140 3.713 ( 1.229 0.000 -3.164) 3.394 4.045 ( 0.308 0.000 1.888) 1.913 4.082 ( 2.460 0.000 0.085) 2.462 4.225 ( -3.985 0.000 1.051) 4.122 4.334 ( -1.204 0.000 -8.512) 8.597 4.625 ( 0.096 0.000 1.345) 1.348 4.759 ( 2.872 0.000 -2.653) 3.910 4.810 ( -0.175 0.000 -0.292) 0.340 4.832 ( -3.414 0.000 1.575) 3.760 5.562 ( -0.060 0.000 4.341) 4.342 5.641 ( -2.917 0.000 0.720) 3.005 5.662 ( -3.085 0.000 0.739) 3.172 5.736 ( 1.455 0.000 -3.172) 3.489 5.825 ( -0.445 0.000 -0.220) 0.496 5.829 ( -0.563 0.000 -1.159) 1.288 6.710 ( -1.966 0.000 0.831) 2.135 6.715 ( -2.296 0.000 -1.092) 2.543 7.354 ( 2.827 0.000 0.512) 2.873 7.360 ( -0.514 0.000 0.039) 0.515 7.440 ( -3.410 0.000 -0.638) 3.469 7.445 ( 1.030 0.000 0.000) 1.030 7.857 ( 1.405 0.000 1.237) 1.872 7.939 ( 1.650 0.000 -0.802) 1.835 8.113 ( 4.706 0.000 0.892) 4.790 8.244 ( -1.860 0.000 1.327) 2.285 11.165 ( 1.079 0.000 0.491) 1.185 11.179 ( -0.032 0.000 1.221) 1.222 12.967 ( 0.430 0.000 0.573) 0.717 12.986 ( 2.116 0.000 -0.059) 2.117 16.434 ( 0.232 0.000 -0.515) 0.565 16.449 ( -1.311 0.000 0.756) 1.513 16.922 ( -0.565 0.000 0.813) 0.990 17.019 ( -1.245 0.000 -1.777) 2.170 17.183 ( -1.988 0.000 1.477) 2.477 17.281 ( -0.545 0.000 -1.931) 2.006 17.382 ( -3.413 0.000 1.502) 3.729 17.565 ( 2.108 0.000 -6.966) 7.278 17.925 ( 3.594 0.000 4.732) 5.942 18.209 ( 0.224 0.000 -2.728) 2.737 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -2.679 -0.470 19.032) 19.225 1.005 ( -0.194 4.751 17.213) 17.858 1.215 ( 4.877 -1.237 -7.627) 9.137 1.407 ( -2.889 0.522 -15.850) 16.120 1.651 ( -4.150 1.348 18.011) 18.532 1.859 ( 1.839 -3.185 -4.083) 5.495 1.957 ( -3.521 -2.791 -0.783) 4.561 1.992 ( 2.052 -4.825 -3.563) 6.339 2.024 ( -1.196 3.943 10.084) 10.893 2.370 ( 4.345 -0.830 -12.723) 13.470 2.490 ( -1.669 0.765 3.409) 3.872 2.522 ( 1.903 1.473 -4.737) 5.313 2.738 ( -1.258 1.631 1.051) 2.312 2.808 ( 0.007 1.527 -5.610) 5.814 2.919 ( -1.030 1.032 1.720) 2.255 2.968 ( 0.964 3.278 -2.774) 4.401 3.113 ( 2.589 0.861 4.863) 5.576 3.206 ( -0.334 2.011 -4.206) 4.674 3.564 ( 0.077 -0.672 3.874) 3.933 3.628 ( -3.467 -1.104 0.331) 3.654 3.649 ( 2.632 -3.321 -0.561) 4.274 3.722 ( 2.019 0.824 -4.312) 4.833 4.058 ( -1.223 -2.239 1.364) 2.892 4.081 ( 0.425 -2.606 -0.940) 2.803 4.133 ( -0.256 -2.100 2.887) 3.579 4.208 ( -2.108 -3.031 -3.736) 5.253 4.681 ( 0.901 1.454 2.513) 3.040 4.728 ( -1.296 0.458 -1.875) 2.325 4.811 ( -1.712 0.905 0.205) 1.947 4.815 ( 1.829 0.290 -0.063) 1.853 5.609 ( -1.264 -1.598 1.902) 2.788 5.622 ( 0.618 -0.549 -0.081) 0.831 5.649 ( 0.406 3.107 3.481) 4.683 5.738 ( 0.672 1.328 -3.962) 4.232 5.792 ( -0.541 -1.163 0.065) 1.284 5.805 ( 0.194 -0.765 -1.133) 1.380 6.699 ( -0.465 -0.072 0.549) 0.723 6.707 ( 1.343 -0.201 -0.242) 1.380 7.340 ( -0.019 -2.052 1.026) 2.294 7.357 ( -0.071 -1.596 -0.664) 1.730 7.406 ( -0.346 -0.827 0.919) 1.284 7.421 ( -0.566 0.050 -0.636) 0.853 7.903 ( 0.458 0.412 2.039) 2.130 7.935 ( -0.604 0.014 -1.032) 1.195 8.186 ( 1.090 -0.019 2.555) 2.778 8.247 ( -0.611 1.743 -3.458) 3.921 11.187 ( -0.697 0.404 0.601) 1.006 11.188 ( 0.726 0.324 0.435) 0.906 12.987 ( -0.385 0.893 0.968) 1.372 13.017 ( 1.055 0.902 -1.920) 2.369 16.430 ( -0.883 -0.492 0.381) 1.080 16.437 ( 0.975 -0.530 -0.262) 1.140 16.953 ( 0.630 1.501 1.506) 2.217 16.989 ( -0.732 1.338 -1.977) 2.497 17.204 ( 1.451 0.608 1.129) 1.936 17.226 ( -1.881 -0.095 -0.928) 2.100 17.406 ( -0.777 0.867 4.628) 4.773 17.512 ( 0.567 -0.397 -5.728) 5.770 18.007 ( 2.191 -2.106 4.551) 5.472 18.078 ( -3.683 -3.683 -2.162) 5.639 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.859 1.590 15.283) 15.390 1.066 ( 2.838 0.006 -9.998) 10.393 1.170 ( -1.735 3.594 -13.276) 13.863 1.342 ( 5.713 0.543 8.270) 10.066 1.805 ( 3.671 -1.543 6.955) 8.015 1.852 ( 2.458 -3.878 -4.126) 6.173 1.912 ( -3.231 -4.846 4.660) 7.459 2.022 ( 5.640 -4.451 -2.311) 7.547 2.195 ( 3.911 2.799 14.361) 15.145 2.283 ( 8.191 3.511 -20.386) 22.249 2.473 ( -2.356 0.073 0.742) 2.471 2.526 ( -0.137 1.655 -0.100) 1.664 2.719 ( -2.481 0.454 2.180) 3.334 2.804 ( 2.757 1.076 0.195) 2.966 2.925 ( -0.690 2.449 2.427) 3.517 2.966 ( 2.128 2.539 -2.470) 4.132 3.126 ( -1.246 0.037 -3.816) 4.014 3.199 ( 1.590 2.298 1.079) 2.995 3.554 ( -2.431 -1.695 -1.003) 3.129 3.603 ( -2.575 -0.465 3.851) 4.656 3.657 ( -1.787 -1.246 -2.108) 3.031 3.727 ( 4.190 -1.967 -2.196) 5.124 4.024 ( -2.592 -3.010 1.561) 4.268 4.088 ( -2.510 -0.959 -1.377) 3.019 4.144 ( 3.041 -2.278 1.771) 4.192 4.233 ( 3.512 -1.306 2.476) 4.491 4.678 ( -1.149 1.677 -1.266) 2.395 4.719 ( -1.191 1.608 1.703) 2.627 4.789 ( 0.398 -0.204 -0.185) 0.484 4.862 ( 3.378 0.535 -0.190) 3.425 5.618 ( 0.535 -0.424 0.357) 0.771 5.647 ( 1.753 -0.224 0.380) 1.808 5.690 ( -0.424 2.764 3.163) 4.222 5.704 ( 1.772 -0.924 -4.604) 5.019 5.802 ( 0.908 -0.250 1.083) 1.435 5.814 ( 1.819 -1.230 -0.684) 2.300 6.707 ( 1.240 -0.014 0.062) 1.241 6.731 ( 2.351 -0.094 -1.234) 2.657 7.324 ( -1.353 -1.649 0.141) 2.137 7.366 ( -2.350 -0.742 0.703) 2.562 7.387 ( 2.250 -1.417 -0.241) 2.670 7.457 ( 2.230 0.024 0.743) 2.351 7.894 ( -2.394 0.409 -1.436) 2.822 7.914 ( -1.558 0.180 1.650) 2.276 8.143 ( -4.061 1.488 -1.136) 4.472 8.264 ( 1.849 0.175 0.633) 1.962 11.173 ( -1.258 0.390 0.044) 1.318 11.198 ( 0.157 0.298 -0.160) 0.373 12.983 ( -1.242 0.728 0.761) 1.628 13.000 ( -0.510 0.931 -1.575) 1.900 16.423 ( -0.272 -0.278 0.258) 0.467 16.455 ( 1.456 -0.648 -0.411) 1.646 16.964 ( 0.155 1.602 -1.322) 2.082 16.989 ( 1.370 0.865 1.468) 2.187 17.216 ( 1.881 0.077 -1.366) 2.326 17.249 ( 1.526 0.869 1.590) 2.369 17.441 ( -1.570 0.599 5.270) 5.531 17.458 ( 0.035 -0.150 -4.657) 4.660 17.985 ( -4.201 -1.712 -2.296) 5.085 18.085 ( 1.102 -3.596 4.118) 5.578 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 6.122 1.748 -16.767) 17.935 1.119 ( 7.232 1.301 -8.961) 11.589 1.181 ( 0.932 2.438 10.491) 10.811 1.531 ( 3.003 2.367 11.575) 12.190 1.857 ( 1.678 -4.848 -0.376) 5.144 1.881 ( -0.189 -3.503 1.943) 4.010 1.975 ( 2.519 -2.615 7.617) 8.438 2.091 ( 4.339 -7.395 -2.606) 8.961 2.207 ( 9.193 4.086 -19.102) 21.589 2.361 ( 1.134 -1.709 1.581) 2.590 2.452 ( -1.834 3.389 4.091) 5.620 2.491 ( -1.158 3.003 -3.369) 4.659 2.719 ( -0.204 -1.644 2.005) 2.601 2.884 ( 2.059 -0.520 4.285) 4.783 2.957 ( 1.186 5.034 2.693) 5.831 2.994 ( 4.063 2.232 -0.137) 4.638 3.088 ( 1.564 -0.787 -2.285) 2.879 3.229 ( 0.392 3.755 1.656) 4.123 3.518 ( -0.862 -2.321 -1.037) 2.684 3.538 ( -4.296 -0.206 -2.607) 5.029 3.619 ( -4.007 -0.321 4.204) 5.817 3.766 ( 1.168 -3.314 -1.019) 3.659 4.010 ( -0.257 -1.250 0.568) 1.397 4.058 ( 0.876 -0.022 -0.096) 0.881 4.216 ( 2.314 -2.824 1.132) 3.822 4.318 ( 2.355 0.022 3.313) 4.065 4.657 ( -0.206 1.715 -0.452) 1.786 4.698 ( -2.635 1.860 1.928) 3.758 4.818 ( 2.723 -0.083 -0.267) 2.737 4.919 ( 4.379 -0.092 -1.231) 4.550 5.608 ( -0.394 2.029 -1.892) 2.802 5.687 ( 2.429 -1.682 0.121) 2.957 5.700 ( -1.334 1.572 1.978) 2.857 5.714 ( 3.071 -2.396 -2.131) 4.440 5.832 ( 1.163 0.090 0.818) 1.425 5.839 ( 2.143 -0.783 -1.261) 2.606 6.747 ( 2.671 0.153 1.178) 2.924 6.761 ( 2.828 0.082 -0.947) 2.984 7.295 ( -1.849 -1.278 -0.379) 2.279 7.359 ( -0.096 -1.127 1.698) 2.040 7.403 ( 0.720 -0.662 -1.836) 2.081 7.504 ( 2.077 0.555 1.083) 2.408 7.843 ( -1.703 0.128 -0.698) 1.845 7.889 ( -2.976 0.035 0.983) 3.134 8.081 ( -2.162 1.911 -0.302) 2.902 8.286 ( 0.304 0.535 0.130) 0.629 11.148 ( -1.441 0.331 -0.312) 1.511 11.190 ( -0.401 0.251 -0.925) 1.039 12.965 ( -1.338 0.531 0.137) 1.446 12.973 ( -1.098 0.974 -0.715) 1.633 16.428 ( 0.291 -0.072 0.517) 0.598 16.472 ( 1.291 -0.594 -0.696) 1.583 16.962 ( 1.005 1.430 -0.720) 1.891 17.029 ( 1.632 0.203 1.166) 2.016 17.234 ( 0.470 -0.037 -0.471) 0.666 17.288 ( 1.819 2.642 1.087) 3.387 17.424 ( 0.483 -0.673 -1.750) 1.936 17.469 ( -1.852 0.523 5.513) 5.839 17.890 ( -3.710 -0.572 -3.144) 4.897 18.119 ( -0.746 -4.947 0.934) 5.089 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 14.641 3.045 -2.906) 15.234 1.163 ( 10.313 -0.438 -9.602) 14.098 1.273 ( -2.241 3.096 7.225) 8.174 1.675 ( 0.810 1.296 8.643) 8.778 1.861 ( -4.111 -4.321 3.785) 7.064 1.917 ( 1.925 -4.338 2.075) 5.180 2.033 ( -0.922 -5.656 -3.684) 6.813 2.140 ( 2.667 -0.685 5.864) 6.479 2.199 ( 5.282 0.223 -10.902) 12.116 2.291 ( 0.629 -0.621 -7.253) 7.307 2.439 ( 2.006 2.903 -3.552) 5.007 2.496 ( -0.221 1.775 1.555) 2.370 2.745 ( 0.560 -1.762 1.349) 2.289 2.905 ( -1.473 -1.366 -0.237) 2.022 2.991 ( 1.483 4.386 -2.198) 5.125 3.100 ( 2.165 0.313 2.016) 2.975 3.124 ( 4.110 1.577 3.021) 5.339 3.262 ( 1.265 5.076 3.153) 6.108 3.458 ( -2.426 -1.395 1.547) 3.198 3.526 ( 0.878 -1.390 0.592) 1.747 3.585 ( -4.342 -0.540 1.930) 4.783 3.726 ( -3.676 -3.265 -1.446) 5.125 4.044 ( 3.846 0.502 -0.499) 3.911 4.105 ( 3.563 0.855 1.206) 3.857 4.228 ( -0.937 -2.170 -0.603) 2.440 4.360 ( -0.976 0.222 1.410) 1.729 4.662 ( 0.008 1.006 1.811) 2.072 4.694 ( -0.782 1.648 2.674) 3.237 4.861 ( 2.787 1.415 -0.354) 3.146 4.976 ( 4.219 -0.686 -2.057) 4.743 5.585 ( 0.418 1.635 -1.840) 2.497 5.673 ( -1.947 0.800 -0.598) 2.189 5.729 ( 0.915 -2.624 1.261) 3.052 5.744 ( 2.276 -2.292 -1.234) 3.458 5.855 ( 1.077 0.381 -0.232) 1.165 5.856 ( 2.069 0.006 -1.681) 2.666 6.803 ( 2.015 -0.102 1.231) 2.363 6.808 ( 2.638 0.044 0.986) 2.817 7.265 ( -1.171 -0.644 -0.191) 1.350 7.358 ( -1.190 -0.274 -1.534) 1.961 7.412 ( 1.993 0.080 1.321) 2.392 7.542 ( 1.342 0.158 0.343) 1.394 7.823 ( -0.800 -0.618 0.005) 1.011 7.845 ( -2.959 0.017 0.401) 2.986 8.068 ( -0.292 1.822 1.672) 2.490 8.277 ( -0.477 0.485 -1.552) 1.695 11.123 ( -1.108 0.385 -0.301) 1.211 11.167 ( -0.653 0.265 -1.500) 1.657 12.946 ( -0.810 0.518 -0.033) 0.962 12.952 ( -0.834 0.815 -0.075) 1.168 16.442 ( 0.369 0.050 0.895) 0.970 16.482 ( 0.907 -0.429 -0.872) 1.329 16.982 ( 1.618 0.655 0.368) 1.784 17.066 ( 1.526 0.223 0.607) 1.657 17.218 ( -2.006 0.403 0.837) 2.211 17.315 ( 0.672 3.980 -1.272) 4.232 17.444 ( 1.094 -0.584 2.720) 2.990 17.512 ( -0.234 -0.295 6.561) 6.571 17.795 ( -2.666 0.114 -4.411) 5.156 18.074 ( -2.194 -4.776 -4.524) 6.935 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.326 1.994 1.462) 2.494 1.263 ( 4.918 1.392 -5.310) 7.370 1.324 ( 13.565 1.166 7.989) 15.786 1.712 ( -8.092 0.827 4.178) 9.145 1.825 ( -2.762 -1.859 2.956) 4.453 1.920 ( 0.485 -4.486 -3.985) 6.020 2.004 ( -3.328 -2.872 2.391) 5.004 2.085 ( 0.925 0.317 -8.491) 8.547 2.233 ( 1.300 -4.662 4.950) 6.923 2.330 ( 5.162 -0.232 -1.299) 5.328 2.450 ( 1.111 0.376 -3.503) 3.694 2.474 ( -0.068 0.920 -3.050) 3.186 2.752 ( -1.889 -1.501 2.211) 3.272 2.856 ( -1.107 -2.320 -3.102) 4.029 3.002 ( 3.923 3.813 -2.010) 5.828 3.076 ( -3.207 4.552 -1.083) 5.673 3.257 ( 5.076 3.240 4.044) 7.254 3.334 ( 0.117 2.452 5.293) 5.834 3.470 ( -0.160 -1.420 2.352) 2.752 3.509 ( -1.947 -0.750 -1.920) 2.836 3.567 ( 0.862 -1.730 1.383) 2.377 3.642 ( -4.067 -2.521 -1.110) 4.912 4.106 ( 3.657 0.786 -0.296) 3.752 4.184 ( -1.200 -1.909 -1.822) 2.899 4.193 ( 2.747 1.686 2.878) 4.321 4.322 ( -3.239 0.912 -0.940) 3.494 4.689 ( 0.083 0.695 2.493) 2.589 4.714 ( -0.288 1.293 1.812) 2.245 4.906 ( 1.965 1.813 1.191) 2.927 5.000 ( 1.463 -0.210 -2.880) 3.238 5.586 ( 1.349 0.482 -0.810) 1.645 5.628 ( -2.055 -0.107 -1.249) 2.407 5.745 ( -0.220 -2.384 0.800) 2.524 5.759 ( 0.991 -1.750 -0.834) 2.177 5.862 ( 0.106 0.269 -0.261) 0.390 5.871 ( 1.666 0.353 -1.550) 2.303 6.840 ( 0.029 -0.364 1.853) 1.889 6.853 ( 1.927 -0.280 0.141) 1.952 7.257 ( -0.100 0.203 0.717) 0.752 7.316 ( -1.158 0.993 -2.028) 2.537 7.471 ( 2.146 -0.554 2.329) 3.215 7.549 ( -0.429 -0.268 -0.753) 0.907 7.805 ( -1.534 -0.066 0.484) 1.609 7.814 ( -0.492 -0.527 -0.456) 0.853 8.102 ( 0.799 1.288 3.474) 3.791 8.239 ( -0.893 0.304 -3.195) 3.331 11.109 ( -0.377 0.538 0.156) 0.675 11.140 ( -0.375 0.302 -1.645) 1.714 12.940 ( -0.004 0.581 0.038) 0.583 12.942 ( -0.393 0.673 0.098) 0.785 16.456 ( -0.001 0.045 1.048) 1.049 16.484 ( 0.515 -0.262 -0.961) 1.121 17.023 ( 1.872 -0.445 1.438) 2.402 17.083 ( -0.010 -0.192 -0.365) 0.412 17.206 ( -0.665 2.097 1.720) 2.792 17.285 ( -1.399 4.092 -2.147) 4.828 17.501 ( 0.556 0.193 4.972) 5.007 17.613 ( 2.203 -1.808 8.307) 8.783 17.708 ( -1.253 0.513 -5.376) 5.544 17.960 ( -2.664 -3.579 -8.428) 9.536 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -12.933 2.650 5.144) 14.169 1.343 ( 8.092 1.275 -6.412) 10.403 1.473 ( -15.244 1.299 -3.324) 15.656 1.660 ( 11.269 1.345 6.953) 13.310 1.834 ( -1.916 -0.479 3.437) 3.964 1.902 ( 2.750 -4.607 -3.464) 6.386 1.948 ( -5.365 -3.964 3.704) 7.630 2.070 ( 3.369 -0.173 -4.279) 5.449 2.283 ( -6.629 -0.234 -2.719) 7.168 2.298 ( -4.104 -3.260 8.116) 9.661 2.425 ( 0.339 -0.735 -5.201) 5.263 2.484 ( 6.885 -0.472 -3.094) 7.563 2.752 ( -2.733 -2.151 4.123) 5.394 2.829 ( 2.286 -1.284 -2.099) 3.359 2.988 ( -4.188 4.123 -0.533) 5.901 3.075 ( 4.535 4.925 -1.117) 6.788 3.304 ( -5.466 1.904 0.029) 5.788 3.384 ( 4.189 2.221 3.301) 5.778 3.471 ( -1.071 -1.343 -0.984) 1.980 3.508 ( 2.327 -0.812 -0.914) 2.629 3.576 ( -1.788 -1.961 0.462) 2.694 3.612 ( 2.111 -1.290 1.155) 2.731 4.112 ( -3.478 -0.941 -0.414) 3.626 4.163 ( 1.834 0.496 -0.234) 1.915 4.237 ( -3.624 0.990 -0.692) 3.820 4.291 ( 3.312 1.152 1.464) 3.801 4.701 ( -1.488 0.786 1.335) 2.148 4.732 ( 1.504 1.162 0.252) 1.917 4.940 ( -0.775 1.255 2.583) 2.974 4.958 ( -2.099 0.682 -3.546) 4.177 5.583 ( -1.838 -0.008 -0.734) 1.979 5.611 ( 1.896 -0.554 0.261) 1.993 5.743 ( -0.990 -2.062 0.707) 2.394 5.762 ( 0.525 -1.822 -0.804) 2.060 5.850 ( -1.478 0.174 0.241) 1.508 5.874 ( 0.442 0.734 -1.231) 1.500 6.842 ( -1.730 -0.394 1.083) 2.079 6.872 ( 0.737 -0.621 -0.899) 1.317 7.275 ( 0.444 0.925 1.589) 1.891 7.281 ( -0.490 0.758 -1.317) 1.597 7.512 ( -2.122 -0.570 -1.511) 2.666 7.522 ( 0.841 -0.411 1.759) 1.993 7.799 ( -0.037 -0.153 0.800) 0.815 7.814 ( 1.140 -0.408 -0.277) 1.242 8.161 ( 0.871 1.036 3.728) 3.966 8.183 ( -0.648 0.533 -3.696) 3.790 11.112 ( 0.055 0.442 0.561) 0.716 11.125 ( 0.605 0.479 -1.031) 1.288 12.940 ( 0.101 0.559 -0.010) 0.568 12.945 ( 0.661 0.736 -0.167) 1.004 16.463 ( -0.477 -0.075 1.021) 1.129 16.478 ( 0.077 -0.168 -1.058) 1.074 17.047 ( -1.960 -0.645 0.030) 2.063 17.072 ( 0.781 -0.524 -0.087) 0.945 17.235 ( 0.952 3.597 2.498) 4.481 17.242 ( -0.618 3.380 -1.729) 3.847 17.568 ( 0.131 -0.818 5.017) 5.085 17.636 ( 1.511 0.597 -6.516) 6.716 17.756 ( 1.588 -2.679 10.829) 11.268 17.817 ( -2.084 -2.068 -9.415) 9.862 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -14.629 1.946 7.971) 16.773 1.085 ( -18.706 5.026 -6.834) 20.540 1.422 ( 5.129 0.607 -6.391) 8.217 1.774 ( -2.436 0.457 1.206) 2.756 1.821 ( -8.585 2.252 8.927) 12.588 1.905 ( -2.892 -6.979 2.687) 8.019 1.968 ( 4.210 -5.595 -3.220) 7.707 2.108 ( 2.438 0.855 3.884) 4.665 2.152 ( -2.666 -1.200 -2.699) 3.979 2.299 ( -3.864 -0.039 4.100) 5.634 2.333 ( -3.318 -0.215 -3.236) 4.640 2.573 ( 7.170 0.889 -4.861) 8.708 2.740 ( -1.892 -3.471 1.549) 4.245 2.881 ( 2.145 0.715 2.141) 3.114 2.953 ( 0.819 1.955 0.443) 2.165 3.114 ( 0.842 3.403 -0.301) 3.519 3.196 ( -5.014 1.010 -2.784) 5.823 3.384 ( -1.380 1.039 -7.548) 7.743 3.468 ( -1.048 -3.076 3.331) 4.654 3.547 ( 3.891 0.062 -1.658) 4.230 3.578 ( 1.461 0.436 1.084) 1.871 3.674 ( 1.858 -1.112 2.979) 3.683 4.052 ( -2.463 -0.737 -0.861) 2.711 4.128 ( -4.360 1.483 -0.956) 4.704 4.216 ( 1.029 -0.314 0.315) 1.121 4.358 ( 1.904 -0.558 1.781) 2.666 4.682 ( -1.312 1.199 -0.196) 1.788 4.755 ( 1.680 0.648 -1.576) 2.393 4.870 ( -3.923 1.468 -2.074) 4.674 4.929 ( -3.779 0.490 2.416) 4.512 5.555 ( -1.448 0.969 0.727) 1.888 5.650 ( 1.481 -0.726 1.231) 2.058 5.724 ( -2.196 -2.097 0.633) 3.102 5.759 ( 0.412 -2.600 -1.408) 2.985 5.826 ( -1.854 0.699 0.959) 2.202 5.862 ( -0.498 1.042 -0.768) 1.387 6.806 ( -3.174 -0.205 0.169) 3.186 6.856 ( -0.767 -0.782 -2.277) 2.527 7.268 ( 0.452 -0.063 -0.459) 0.648 7.312 ( 0.893 0.895 2.435) 2.744 7.450 ( -2.712 -0.615 -1.849) 3.339 7.537 ( -0.888 0.018 0.915) 1.275 7.815 ( 0.797 -0.490 0.721) 1.181 7.846 ( 2.644 -0.448 0.190) 2.689 8.123 ( -0.716 1.129 -3.522) 3.768 8.227 ( 1.488 1.652 3.204) 3.900 11.119 ( 0.698 0.082 0.052) 0.705 11.140 ( 0.992 0.702 0.731) 1.419 12.946 ( 0.644 0.545 -0.018) 0.844 12.956 ( 1.006 0.977 -0.455) 1.474 16.462 ( -0.686 -0.232 0.205) 0.752 16.463 ( -0.605 -0.196 -0.358) 0.730 16.998 ( -2.445 0.681 -0.959) 2.713 17.073 ( -0.934 0.009 -0.018) 0.935 17.233 ( 0.968 1.433 -0.656) 1.850 17.275 ( -0.058 3.484 2.330) 4.192 17.541 ( -0.996 -1.737 -5.555) 5.904 17.650 ( 1.273 -0.774 -4.057) 4.322 17.720 ( 1.687 0.290 -0.799) 1.889 17.912 ( 2.312 -4.204 11.030) 12.028 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -16.594 4.696 3.055) 17.514 0.857 ( -12.517 3.429 13.084) 18.429 1.382 ( -0.982 1.778 -6.664) 6.967 1.694 ( -15.792 3.254 13.470) 21.010 1.740 ( -4.159 0.085 -3.032) 5.148 1.890 ( -1.569 -4.803 1.090) 5.169 1.954 ( -0.122 -3.818 -1.742) 4.199 2.085 ( -0.718 -4.057 -1.215) 4.295 2.161 ( -3.132 -0.816 -7.184) 7.879 2.270 ( 2.893 -1.189 6.028) 6.791 2.373 ( 0.664 2.885 7.365) 7.937 2.609 ( 6.062 1.507 -8.468) 10.523 2.727 ( -0.884 -2.424 0.629) 2.656 2.920 ( 0.397 1.007 1.349) 1.730 2.987 ( 1.359 2.851 -0.368) 3.179 3.062 ( -4.673 -2.173 -4.996) 7.178 3.103 ( -2.424 1.152 -2.604) 3.740 3.280 ( -1.131 5.983 -4.988) 7.871 3.488 ( 0.493 -3.720 2.151) 4.325 3.547 ( 1.708 -0.796 -3.185) 3.701 3.661 ( 3.987 0.272 1.604) 4.306 3.717 ( -1.013 -0.632 2.873) 3.112 4.025 ( 0.744 -1.523 -0.908) 1.923 4.061 ( -2.277 0.984 -0.352) 2.506 4.224 ( -1.261 -1.928 0.425) 2.343 4.375 ( -0.977 -2.761 -1.059) 3.115 4.655 ( -1.305 1.809 -0.400) 2.266 4.752 ( 1.999 0.522 -3.208) 3.816 4.809 ( -2.746 0.962 0.696) 2.992 4.884 ( -3.954 0.187 2.158) 4.508 5.554 ( -0.873 2.004 2.736) 3.502 5.669 ( -1.538 -0.607 1.325) 2.119 5.685 ( -3.042 -1.985 0.552) 3.674 5.750 ( 1.573 -1.118 -2.215) 2.938 5.816 ( -0.937 -0.026 0.959) 1.341 5.846 ( -0.446 0.517 -0.516) 0.856 6.751 ( -3.340 0.042 0.189) 3.346 6.793 ( -3.031 -0.626 -3.229) 4.472 7.285 ( 1.472 -1.242 0.509) 1.992 7.355 ( 0.813 -0.710 2.466) 2.692 7.394 ( -1.589 -0.306 -1.255) 2.048 7.516 ( -2.054 0.474 -0.008) 2.108 7.834 ( 0.827 -0.281 0.312) 0.928 7.896 ( 2.801 -0.590 0.197) 2.869 8.092 ( 0.690 2.034 -1.519) 2.631 8.276 ( 1.374 2.484 1.165) 3.069 11.139 ( 1.207 0.043 0.506) 1.310 11.165 ( 0.619 0.527 1.185) 1.437 12.962 ( 1.072 0.582 0.210) 1.238 12.970 ( 1.407 1.425 -0.327) 2.029 16.443 ( -0.526 -0.230 -0.933) 1.095 16.455 ( -1.180 -0.462 0.890) 1.548 16.956 ( -1.797 1.605 -0.059) 2.410 17.051 ( -0.925 0.160 -0.786) 1.225 17.230 ( -1.958 0.773 0.070) 2.106 17.290 ( 0.419 2.692 1.141) 2.954 17.453 ( -2.473 -1.960 -5.057) 5.961 17.598 ( 1.829 -0.762 -7.010) 7.284 17.808 ( 3.475 -0.032 4.592) 5.758 18.062 ( 2.822 -6.285 7.407) 10.116 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -3.267 0.515 20.859) 21.119 0.858 ( -7.203 4.680 17.279) 19.296 1.279 ( -2.111 2.036 -5.930) 6.615 1.587 ( -8.334 1.458 2.377) 8.788 1.623 ( -8.017 1.642 3.663) 8.966 1.876 ( -0.473 -2.948 -0.717) 3.071 1.951 ( -0.405 -2.074 2.525) 3.293 2.035 ( -1.523 -3.261 -6.328) 7.280 2.060 ( -3.037 -1.757 -0.616) 3.562 2.367 ( 1.600 -2.442 3.261) 4.377 2.455 ( -0.024 1.793 5.716) 5.991 2.581 ( 3.697 0.735 -11.691) 12.284 2.734 ( 1.244 0.550 -0.437) 1.429 2.909 ( -1.923 0.723 -7.255) 7.541 2.926 ( -2.155 0.581 0.319) 2.254 2.999 ( 0.283 5.926 -3.748) 7.018 3.033 ( -1.343 -0.423 3.193) 3.489 3.244 ( 0.083 4.139 -2.338) 4.754 3.522 ( 0.800 -1.205 1.932) 2.413 3.580 ( 2.961 -2.529 1.593) 4.207 3.694 ( -1.696 -1.495 -1.260) 2.588 3.720 ( 1.670 1.093 -0.785) 2.145 4.040 ( 0.614 -0.955 0.159) 1.147 4.062 ( 2.226 -1.754 0.774) 2.937 4.173 ( -4.203 -4.082 -0.828) 5.917 4.305 ( -3.296 -3.024 -3.952) 5.969 4.646 ( 0.038 2.111 1.311) 2.485 4.765 ( 0.783 0.468 -2.174) 2.358 4.780 ( 0.098 -0.588 0.585) 0.835 4.850 ( -2.637 0.423 0.994) 2.849 5.584 ( -0.397 1.810 4.455) 4.825 5.637 ( -2.390 -1.293 0.556) 2.774 5.645 ( -2.164 -0.441 0.272) 2.225 5.756 ( 1.568 1.379 -2.727) 3.434 5.807 ( -0.848 -1.404 0.026) 1.640 5.828 ( -0.766 -0.091 -1.302) 1.513 6.709 ( -1.994 -0.016 0.511) 2.058 6.716 ( -2.265 0.071 -0.673) 2.364 7.317 ( 1.174 -2.094 0.745) 2.514 7.375 ( -0.538 -2.840 0.522) 2.937 7.379 ( 0.657 0.500 -0.022) 0.826 7.472 ( -2.817 -0.031 -0.553) 2.871 7.862 ( 1.582 0.548 1.432) 2.203 7.934 ( 1.526 -0.447 -0.275) 1.614 8.120 ( 2.913 1.219 0.977) 3.305 8.288 ( 0.137 2.701 -1.695) 3.192 11.166 ( 1.147 0.182 0.666) 1.338 11.183 ( -0.011 0.400 1.110) 1.180 12.978 ( 0.439 0.873 0.459) 1.080 13.001 ( 2.413 1.229 -0.718) 2.801 16.430 ( 0.082 -0.390 -0.469) 0.616 16.443 ( -1.232 -0.533 0.648) 1.491 16.939 ( -0.661 1.828 0.910) 2.146 17.024 ( -0.769 0.565 -1.744) 1.988 17.194 ( -1.766 0.934 0.853) 2.172 17.288 ( -1.751 0.346 -2.195) 2.829 17.381 ( -2.238 0.159 2.316) 3.225 17.558 ( 1.668 -0.744 -6.204) 6.467 17.914 ( 3.125 -0.990 4.529) 5.591 18.131 ( -0.291 -6.518 0.363) 6.535 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.566 3.375 16.544) 16.894 1.116 ( 1.686 5.227 15.906) 16.828 1.198 ( -0.002 0.921 -11.452) 11.489 1.433 ( -0.742 1.941 -14.562) 14.710 1.620 ( -1.174 -4.679 7.555) 8.964 1.737 ( 0.144 -9.445 -4.987) 10.682 1.883 ( -1.813 -3.511 0.983) 4.072 1.913 ( 3.506 -3.043 -2.529) 5.286 2.129 ( -4.008 5.551 10.664) 12.673 2.327 ( 1.887 -3.467 -2.768) 4.821 2.512 ( -2.758 2.089 3.525) 4.940 2.557 ( 1.962 1.777 -4.100) 4.881 2.819 ( 1.494 5.819 -2.050) 6.348 2.851 ( -0.888 3.623 -4.050) 5.506 2.950 ( -1.151 2.238 3.430) 4.255 3.019 ( 0.152 1.994 -2.093) 2.895 3.123 ( 0.937 -0.174 4.658) 4.754 3.248 ( 1.372 1.600 -7.691) 7.975 3.510 ( -0.103 -4.936 2.992) 5.773 3.572 ( -0.238 -4.052 -0.667) 4.113 3.620 ( -2.012 0.222 1.492) 2.514 3.712 ( 2.057 -2.099 -4.731) 5.569 4.031 ( -1.036 -0.801 -0.213) 1.327 4.032 ( 0.722 -1.724 -0.368) 1.905 4.093 ( 2.267 -1.610 2.334) 3.630 4.147 ( -3.325 -2.999 -2.466) 5.112 4.717 ( 0.126 2.089 1.953) 2.863 4.752 ( -0.080 1.428 -1.302) 1.934 4.820 ( -0.049 0.488 0.891) 1.017 4.830 ( 0.366 0.958 -0.152) 1.037 5.567 ( -0.983 -2.296 1.166) 2.756 5.593 ( 1.193 -2.461 -1.367) 3.058 5.713 ( 0.050 3.219 3.193) 4.534 5.767 ( -0.078 1.224 -1.821) 2.195 5.780 ( 0.246 0.113 0.343) 0.437 5.796 ( -0.580 0.055 -1.205) 1.338 6.697 ( -0.406 -0.043 0.370) 0.551 6.703 ( 0.972 -0.212 -0.134) 1.004 7.315 ( 0.275 -0.452 1.022) 1.151 7.337 ( 0.161 -0.416 -0.951) 1.050 7.384 ( -0.791 -1.353 1.164) 1.952 7.410 ( 0.108 -1.141 -1.319) 1.747 7.912 ( 0.083 0.517 2.055) 2.121 7.935 ( -0.552 -0.084 -0.033) 0.560 8.198 ( 1.041 1.008 1.967) 2.444 8.261 ( -0.936 -0.234 -3.962) 4.077 11.195 ( -0.203 0.397 0.574) 0.727 11.195 ( 0.288 0.383 0.474) 0.674 13.006 ( -0.317 0.992 0.780) 1.301 13.030 ( 0.787 0.372 -1.523) 1.754 16.419 ( -0.476 -0.588 0.270) 0.803 16.425 ( 0.641 -0.690 -0.266) 0.978 16.991 ( 0.031 2.376 1.252) 2.686 17.021 ( -0.170 1.825 -1.579) 2.419 17.208 ( 0.892 -0.351 0.407) 1.042 17.219 ( -0.929 -0.633 -0.603) 1.276 17.429 ( -0.456 1.529 3.254) 3.624 17.502 ( 0.182 -0.675 -3.836) 3.899 17.967 ( 1.170 -1.812 3.253) 3.903 18.008 ( -1.911 -3.280 -0.643) 3.851 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 1.053 1.391 -1.553) 2.336 1.109 ( 3.822 3.517 -0.754) 5.248 1.265 ( 0.309 5.806 -13.146) 14.374 1.356 ( 6.472 1.223 12.391) 14.033 1.711 ( 3.785 -7.602 -1.063) 8.559 1.725 ( 2.531 -8.725 3.302) 9.666 1.844 ( -3.057 -2.215 0.757) 3.850 1.937 ( 2.947 -4.750 -2.808) 6.256 2.242 ( 2.058 2.014 10.743) 11.122 2.323 ( 5.083 0.304 -9.509) 10.787 2.500 ( -1.214 2.393 1.344) 3.001 2.548 ( -0.674 0.875 0.332) 1.154 2.784 ( -1.736 6.232 -1.814) 6.719 2.844 ( 0.773 3.511 1.446) 3.875 2.983 ( 0.202 3.289 3.804) 5.033 3.011 ( 2.122 2.057 -2.425) 3.823 3.129 ( -1.942 0.099 -1.837) 2.675 3.238 ( 3.356 1.172 -1.355) 3.804 3.487 ( -2.985 -4.771 -0.206) 5.632 3.577 ( 0.015 -4.721 0.194) 4.725 3.614 ( -3.669 -0.645 5.005) 6.240 3.690 ( 2.011 -1.803 -4.329) 5.103 3.988 ( -1.262 -0.688 0.351) 1.480 4.055 ( -1.143 -2.170 -1.295) 2.773 4.119 ( 4.126 -0.195 0.419) 4.151 4.196 ( 4.878 -2.195 2.568) 5.934 4.718 ( -1.082 2.085 -0.269) 2.364 4.750 ( -0.005 1.360 0.283) 1.389 4.799 ( -0.256 1.405 -0.543) 1.528 4.868 ( 2.779 0.072 -0.276) 2.793 5.583 ( 1.262 -2.369 1.171) 2.928 5.614 ( 2.805 -2.989 -1.247) 4.285 5.727 ( -1.345 2.614 -2.306) 3.736 5.741 ( -0.510 2.280 2.039) 3.101 5.795 ( 1.372 -0.408 -0.013) 1.432 5.804 ( 1.447 0.138 0.447) 1.521 6.708 ( 1.515 0.167 0.075) 1.526 6.728 ( 2.403 -0.303 -0.875) 2.575 7.302 ( -1.211 -0.502 -0.268) 1.338 7.341 ( -0.878 -1.127 0.027) 1.428 7.378 ( 1.344 -0.163 0.146) 1.362 7.441 ( 2.713 -1.531 0.467) 3.150 7.904 ( -2.422 0.552 -0.748) 2.594 7.917 ( -1.767 0.082 1.382) 2.245 8.175 ( -2.795 1.748 -1.285) 3.538 8.259 ( 1.327 -0.717 1.266) 1.969 11.183 ( -1.136 0.602 -0.081) 1.289 11.203 ( -0.010 0.166 -0.127) 0.209 12.999 ( -1.322 0.873 0.517) 1.667 13.016 ( -0.562 0.603 -1.140) 1.407 16.417 ( 0.153 -0.254 0.114) 0.317 16.439 ( 1.359 -0.910 -0.381) 1.679 17.001 ( -0.422 2.049 0.047) 2.092 17.014 ( 0.900 1.633 0.224) 1.878 17.216 ( 2.030 -0.035 -0.728) 2.157 17.257 ( 2.985 -0.200 0.623) 3.056 17.451 ( -1.076 0.436 1.964) 2.282 17.461 ( -0.626 0.527 -1.393) 1.616 17.952 ( -3.037 -1.484 -1.370) 3.647 18.010 ( 0.121 -3.783 2.232) 4.395 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 7.885 4.194 -13.099) 15.854 1.160 ( 5.041 2.112 -10.751) 12.061 1.256 ( 1.900 5.973 9.062) 11.019 1.575 ( 4.405 1.530 9.673) 10.738 1.734 ( 1.950 -7.301 -0.934) 7.615 1.807 ( 0.011 -6.075 -0.528) 6.098 1.844 ( 0.534 -7.254 6.944) 10.056 1.979 ( 4.867 -5.130 -0.411) 7.084 2.279 ( 4.997 2.988 -11.772) 13.133 2.342 ( 0.177 -0.435 -1.051) 1.151 2.518 ( 0.816 2.718 2.887) 4.049 2.538 ( -1.295 2.031 0.277) 2.424 2.756 ( -0.197 5.141 0.026) 5.145 2.875 ( -0.501 0.569 3.290) 3.377 3.018 ( 3.275 1.437 -2.610) 4.427 3.066 ( 2.866 3.855 4.897) 6.860 3.084 ( 0.521 0.814 -3.356) 3.493 3.287 ( 1.754 1.693 2.079) 3.204 3.438 ( -1.797 -4.547 -1.039) 4.999 3.546 ( -2.264 -0.528 -0.968) 2.518 3.602 ( -4.136 -1.267 4.588) 6.305 3.688 ( 0.018 -3.918 -0.703) 3.980 3.998 ( 2.167 0.089 0.250) 2.183 4.049 ( 1.681 -0.966 0.350) 1.970 4.194 ( 2.930 0.415 0.750) 3.053 4.296 ( 3.490 -1.894 2.214) 4.547 4.695 ( -1.104 2.009 -0.112) 2.295 4.734 ( -1.622 1.667 0.402) 2.360 4.828 ( 3.517 1.001 -0.032) 3.657 4.911 ( 3.441 -0.778 -1.216) 3.732 5.625 ( 2.012 -1.741 1.026) 2.852 5.652 ( 2.768 -2.889 -0.539) 4.037 5.674 ( -0.892 1.792 -3.190) 3.767 5.736 ( -1.743 1.327 -0.145) 2.195 5.828 ( 2.091 -0.118 0.167) 2.101 5.836 ( 1.599 0.042 0.665) 1.732 6.751 ( 2.827 0.221 0.813) 2.950 6.762 ( 2.817 -0.041 -0.768) 2.920 7.278 ( -1.179 -0.375 -0.418) 1.306 7.331 ( -0.376 -1.510 0.868) 1.782 7.406 ( 1.866 0.642 -0.830) 2.141 7.494 ( 2.438 -1.439 0.851) 2.956 7.852 ( -2.423 0.722 -0.609) 2.601 7.887 ( -2.849 -0.272 0.570) 2.918 8.128 ( -1.693 3.009 -0.163) 3.457 8.283 ( -0.282 -1.071 1.138) 1.587 11.159 ( -1.266 0.732 -0.512) 1.550 11.193 ( -0.556 -0.002 -0.784) 0.961 12.978 ( -1.389 0.778 0.063) 1.593 12.991 ( -1.277 0.772 -0.437) 1.555 16.427 ( 0.682 0.038 0.288) 0.741 16.457 ( 1.397 -0.895 -0.609) 1.767 16.995 ( -0.241 1.877 0.225) 1.906 17.040 ( 1.471 0.785 0.705) 1.810 17.241 ( 1.055 0.780 -0.485) 1.399 17.324 ( 3.940 0.597 1.522) 4.266 17.420 ( -0.418 0.659 -1.946) 2.096 17.478 ( -1.091 0.273 4.058) 4.211 17.880 ( -3.002 -0.217 -2.491) 3.907 18.015 ( -0.875 -5.447 -0.497) 5.539 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 13.160 4.669 -2.687) 14.219 1.171 ( 8.226 1.301 -7.010) 10.886 1.355 ( -0.751 5.639 5.459) 7.885 1.706 ( 1.149 1.288 6.328) 6.560 1.757 ( -1.496 -6.040 3.297) 7.042 1.803 ( 1.608 -7.635 -0.979) 7.864 1.903 ( -0.761 -6.338 3.995) 7.531 2.061 ( 1.478 -6.139 2.307) 6.722 2.239 ( 2.578 2.304 -10.498) 11.053 2.280 ( 1.601 0.091 -5.062) 5.310 2.513 ( 0.105 4.307 -2.636) 5.051 2.544 ( -0.723 2.920 0.428) 3.038 2.769 ( 0.909 3.358 0.178) 3.483 2.879 ( -3.039 -1.155 1.819) 3.725 3.028 ( 1.884 0.751 -3.929) 4.422 3.101 ( 4.146 -0.324 -0.405) 4.179 3.184 ( 4.803 3.405 4.577) 7.458 3.335 ( 1.032 1.725 2.229) 3.002 3.420 ( -0.549 -1.793 1.694) 2.527 3.510 ( -0.967 -0.268 -0.438) 1.095 3.576 ( -3.927 -0.360 2.885) 4.886 3.654 ( -3.298 -3.782 -0.298) 5.027 4.059 ( 4.545 1.057 -0.134) 4.668 4.110 ( 3.725 -0.371 1.709) 4.115 4.219 ( -0.439 1.213 0.371) 1.342 4.345 ( 0.151 -1.647 0.809) 1.841 4.689 ( -0.513 1.600 1.632) 2.342 4.723 ( -0.355 1.167 0.809) 1.464 4.892 ( 3.549 1.648 0.332) 3.927 4.959 ( 3.727 -1.070 -1.142) 4.042 5.622 ( -0.483 1.957 -2.872) 3.509 5.673 ( 1.480 -2.417 0.377) 2.859 5.676 ( -1.295 -1.655 -0.692) 2.212 5.702 ( 1.346 -1.217 -1.535) 2.377 5.859 ( 1.824 0.310 -0.485) 1.913 5.865 ( 0.831 0.544 0.628) 1.175 6.802 ( 2.013 -0.046 0.582) 2.096 6.807 ( 2.498 -0.139 0.756) 2.614 7.262 ( -0.495 0.384 0.275) 0.684 7.342 ( 0.160 -1.387 0.536) 1.495 7.423 ( 1.509 1.139 -0.393) 1.931 7.531 ( 1.214 -1.390 0.155) 1.851 7.818 ( -1.289 0.158 -0.100) 1.302 7.842 ( -2.724 -0.254 0.125) 2.739 8.115 ( -0.564 3.072 1.201) 3.347 8.274 ( -1.159 -1.031 -0.534) 1.641 11.134 ( -0.848 0.818 -0.518) 1.288 11.170 ( -0.773 0.006 -1.186) 1.416 12.959 ( -0.814 0.770 0.030) 1.121 12.968 ( -1.032 0.779 0.016) 1.293 16.444 ( 0.649 0.171 0.571) 0.881 16.471 ( 1.080 -0.676 -0.732) 1.469 17.000 ( 0.172 1.317 0.992) 1.658 17.070 ( 0.944 -0.053 0.595) 1.117 17.245 ( -0.074 2.480 0.804) 2.608 17.392 ( 0.771 3.786 -1.782) 4.255 17.423 ( 2.782 -1.676 3.320) 4.644 17.507 ( -0.876 -0.247 4.591) 4.680 17.800 ( -2.417 0.553 -3.808) 4.544 17.968 ( -1.387 -5.782 -4.485) 7.448 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 9.456 1.560 -4.306) 10.507 1.319 ( -2.984 3.193 1.706) 4.691 1.373 ( 10.186 4.656 6.833) 13.119 1.733 ( -7.008 0.435 5.226) 8.753 1.770 ( 0.572 -3.849 0.870) 3.988 1.807 ( 0.530 -5.635 -2.270) 6.098 1.925 ( -0.705 -5.322 1.098) 5.480 2.037 ( -2.325 -5.874 -2.226) 6.698 2.190 ( 1.841 1.218 -0.404) 2.244 2.317 ( 4.559 -1.319 -1.944) 5.128 2.474 ( -0.576 2.054 -4.418) 4.906 2.498 ( -2.912 1.664 -3.062) 4.542 2.767 ( -1.752 2.051 0.905) 2.845 2.829 ( -1.589 -0.709 -1.438) 2.258 3.061 ( 4.669 2.599 -0.668) 5.385 3.135 ( 0.007 1.734 -1.064) 2.034 3.316 ( 4.413 2.159 4.131) 6.419 3.371 ( -0.086 0.864 2.703) 2.839 3.443 ( 0.034 -1.031 2.229) 2.456 3.492 ( -0.750 -1.012 -1.217) 1.752 3.544 ( -1.915 -0.293 1.702) 2.579 3.591 ( -2.662 -2.396 -0.867) 3.685 4.130 ( 4.158 1.577 -0.661) 4.496 4.164 ( -1.198 -0.055 0.541) 1.315 4.225 ( 1.884 1.630 2.177) 3.308 4.324 ( -2.289 -0.785 -0.667) 2.510 4.706 ( -0.245 0.985 2.260) 2.477 4.733 ( 0.407 0.560 0.478) 0.841 4.946 ( 1.935 2.182 1.012) 3.087 4.996 ( 1.602 -0.172 -1.089) 1.944 5.592 ( 0.398 0.045 -2.138) 2.175 5.620 ( -1.759 -0.877 -2.391) 3.095 5.699 ( 0.251 -1.951 1.064) 2.237 5.720 ( 1.265 -2.095 -0.814) 2.579 5.874 ( -0.321 0.789 0.399) 0.941 5.879 ( 1.297 0.469 -0.726) 1.559 6.832 ( 0.262 -0.331 1.205) 1.276 6.845 ( 1.471 -0.578 -0.004) 1.580 7.270 ( 0.424 1.198 1.302) 1.819 7.333 ( -0.731 0.571 -1.164) 1.488 7.459 ( 1.884 -0.439 1.505) 2.451 7.533 ( -0.546 -1.437 -0.939) 1.801 7.803 ( -0.498 -0.108 0.030) 0.510 7.807 ( -1.398 -0.089 0.083) 1.403 8.135 ( 0.582 2.119 2.394) 3.250 8.237 ( -1.253 -0.584 -2.154) 2.560 11.122 ( -0.163 0.808 -0.091) 0.829 11.145 ( -0.476 0.201 -1.262) 1.363 12.953 ( 0.014 0.768 0.082) 0.772 12.957 ( -0.467 0.771 0.129) 0.910 16.457 ( 0.145 0.139 0.673) 0.702 16.477 ( 0.592 -0.440 -0.782) 1.075 17.023 ( 0.658 0.521 1.729) 1.921 17.075 ( -0.532 -0.617 -0.252) 0.852 17.271 ( 1.297 4.488 2.019) 5.090 17.365 ( -1.174 4.085 -2.017) 4.705 17.502 ( 0.739 -0.362 4.510) 4.584 17.565 ( 1.419 -3.136 5.202) 6.238 17.724 ( -1.291 1.156 -3.894) 4.263 17.878 ( -1.586 -4.671 -7.290) 8.803 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -10.675 5.608 1.001) 12.100 1.368 ( 8.963 1.515 -3.216) 9.642 1.518 ( -13.232 2.789 -2.449) 13.743 1.691 ( 10.040 -0.221 4.601) 11.046 1.764 ( -1.846 -4.554 1.833) 5.244 1.820 ( 2.658 -3.587 -2.165) 4.962 1.879 ( -6.740 -3.210 4.066) 8.500 2.024 ( 4.008 -4.377 -3.906) 7.105 2.255 ( -0.403 -0.931 6.063) 6.147 2.279 ( -5.608 -0.481 -3.912) 6.855 2.407 ( -2.761 -0.012 -3.139) 4.180 2.479 ( 5.612 -0.434 -0.280) 5.636 2.752 ( -2.399 1.687 2.612) 3.927 2.826 ( 3.437 0.357 -1.307) 3.694 3.059 ( -5.115 3.577 -0.243) 6.246 3.141 ( 2.890 2.065 -1.818) 3.990 3.338 ( -5.819 0.811 1.720) 6.122 3.388 ( -1.906 -2.154 2.037) 3.525 3.453 ( -0.527 0.427 1.245) 1.418 3.502 ( 4.701 -0.181 -2.269) 5.223 3.550 ( 0.351 -0.374 1.172) 1.280 3.585 ( 3.213 -1.341 -0.554) 3.525 4.116 ( -4.015 1.319 0.479) 4.254 4.177 ( 1.677 0.983 -0.522) 2.013 4.252 ( -3.143 0.544 0.243) 3.199 4.305 ( 2.430 0.136 0.608) 2.509 4.716 ( -1.160 0.680 1.275) 1.853 4.748 ( 1.486 0.253 -0.569) 1.612 4.969 ( -1.133 1.659 1.254) 2.368 4.977 ( -1.812 1.273 -1.672) 2.775 5.577 ( -0.883 -0.682 -0.889) 1.426 5.594 ( 1.451 -1.139 -0.299) 1.868 5.704 ( -0.939 -1.733 0.765) 2.114 5.721 ( 0.153 -2.137 -1.036) 2.380 5.864 ( -1.362 1.093 0.577) 1.839 5.887 ( 0.474 0.525 -0.714) 1.005 6.834 ( -1.436 -0.359 0.811) 1.688 6.856 ( 0.345 -0.960 -0.721) 1.250 7.299 ( 0.691 1.438 1.840) 2.435 7.302 ( -0.849 1.409 -1.563) 2.269 7.495 ( -1.959 -1.225 -1.499) 2.755 7.505 ( 0.863 -1.374 1.564) 2.254 7.798 ( -0.035 0.080 0.448) 0.457 7.807 ( 0.856 -0.274 0.142) 0.909 8.182 ( 0.861 1.012 2.100) 2.485 8.194 ( -0.029 0.474 -2.056) 2.110 11.123 ( -0.101 0.652 0.156) 0.678 11.134 ( 0.729 0.433 -0.626) 1.054 12.954 ( 0.081 0.813 0.008) 0.817 12.960 ( 0.775 0.756 -0.168) 1.095 16.462 ( -0.465 -0.024 0.649) 0.799 16.473 ( 0.007 -0.307 -0.836) 0.890 17.043 ( -1.242 0.209 0.824) 1.505 17.065 ( 0.776 -0.227 -0.155) 0.823 17.316 ( -1.558 4.272 -2.151) 5.030 17.321 ( 1.321 5.210 2.138) 5.784 17.542 ( -2.244 -2.203 3.609) 4.787 17.623 ( 3.082 -2.946 -2.783) 5.091 17.715 ( -0.153 -0.623 5.827) 5.863 17.773 ( -0.532 -2.224 -6.775) 7.151 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -11.341 5.824 3.410) 13.197 1.187 ( -15.750 4.941 -7.643) 18.191 1.459 ( 5.071 3.867 -4.180) 7.625 1.741 ( -2.270 -6.339 1.021) 6.810 1.794 ( -5.030 -4.298 0.783) 6.662 1.831 ( -2.196 -1.850 2.158) 3.592 1.875 ( 3.386 -1.749 2.488) 4.551 2.079 ( 2.564 -3.624 0.945) 4.539 2.133 ( -3.874 -0.188 -2.161) 4.440 2.252 ( -3.871 -3.086 -1.387) 5.141 2.377 ( -2.184 4.073 6.439) 7.926 2.581 ( 4.857 -0.765 -0.069) 4.917 2.750 ( 0.087 3.803 1.022) 3.938 2.898 ( 4.539 0.592 0.286) 4.586 2.983 ( -2.312 1.814 0.312) 2.955 3.116 ( -3.554 -1.778 -1.926) 4.416 3.242 ( -5.151 1.786 -0.856) 5.519 3.350 ( -3.547 -4.207 0.889) 5.573 3.459 ( 0.184 2.246 0.050) 2.254 3.538 ( 3.409 -0.196 -4.147) 5.371 3.593 ( 2.824 0.298 0.909) 2.981 3.647 ( 3.679 -1.608 0.331) 4.029 4.054 ( -3.746 1.133 0.340) 3.928 4.142 ( -4.009 -0.064 -1.008) 4.134 4.228 ( 0.109 1.570 -0.450) 1.637 4.341 ( 0.107 -1.255 1.128) 1.691 4.705 ( -0.773 1.108 0.119) 1.356 4.760 ( 1.431 -0.257 -1.974) 2.451 4.906 ( -3.957 2.046 -1.154) 4.602 4.939 ( -3.933 0.550 0.799) 4.051 5.573 ( 0.022 0.795 1.332) 1.551 5.631 ( 1.653 -1.138 1.763) 2.671 5.684 ( -2.064 -1.846 0.364) 2.793 5.705 ( -0.244 -2.755 -1.482) 3.138 5.846 ( -1.529 1.328 0.675) 2.135 5.878 ( -0.609 0.615 -0.582) 1.043 6.803 ( -2.789 -0.070 0.173) 2.795 6.837 ( -1.339 -1.083 -1.469) 2.263 7.277 ( -0.105 1.069 -1.165) 1.584 7.328 ( 0.380 0.725 1.573) 1.773 7.438 ( -2.309 -0.430 -1.524) 2.800 7.522 ( -0.785 -1.634 1.074) 2.107 7.811 ( 0.901 0.092 0.517) 1.043 7.836 ( 2.062 -0.569 0.614) 2.226 8.155 ( 0.068 2.095 -2.449) 3.224 8.247 ( 2.350 0.172 2.086) 3.147 11.127 ( 0.542 0.646 0.156) 0.857 11.150 ( 0.999 0.322 0.481) 1.155 12.960 ( 0.724 0.875 -0.070) 1.138 12.974 ( 1.282 0.787 -0.483) 1.580 16.457 ( -0.948 -0.289 0.605) 1.161 16.459 ( -0.609 -0.270 -0.852) 1.081 17.018 ( -1.256 1.423 -0.461) 1.953 17.074 ( -0.367 0.067 0.161) 0.406 17.273 ( -0.643 2.691 -1.790) 3.296 17.355 ( -0.304 4.829 1.863) 5.185 17.491 ( -3.565 -3.548 -2.360) 5.556 17.619 ( 1.044 -2.784 -5.680) 6.411 17.733 ( 2.080 1.046 1.656) 2.857 17.832 ( 2.212 -3.580 7.874) 8.927 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -12.563 8.802 -0.242) 15.342 0.948 ( -9.632 5.746 8.288) 13.946 1.437 ( -0.130 4.247 -6.926) 8.125 1.698 ( -4.379 -4.784 0.217) 6.490 1.701 ( -7.147 -4.071 2.050) 8.477 1.811 ( -1.209 -4.487 -0.232) 4.652 1.904 ( -3.356 0.051 3.414) 4.788 1.996 ( -1.985 -4.279 -5.431) 7.194 2.138 ( -2.763 -0.499 -0.446) 2.843 2.249 ( 2.656 -1.512 5.636) 6.411 2.433 ( -1.051 3.854 7.812) 8.774 2.613 ( 0.942 -0.992 -2.494) 2.844 2.774 ( 2.862 5.787 -1.760) 6.691 2.939 ( 1.166 0.285 -0.328) 1.244 2.996 ( -0.229 -0.818 -2.155) 2.316 3.022 ( -3.244 -0.749 1.298) 3.573 3.151 ( -3.475 2.108 -2.631) 4.842 3.322 ( -0.631 -3.286 0.794) 3.439 3.453 ( 0.709 2.038 -2.400) 3.227 3.541 ( 1.646 0.305 -1.950) 2.570 3.647 ( 2.799 -1.423 -0.145) 3.144 3.696 ( 1.770 -2.000 -0.187) 2.678 4.005 ( -1.832 -0.100 -0.333) 1.864 4.069 ( -2.685 -0.363 -1.307) 3.008 4.207 ( -2.481 0.589 -0.465) 2.592 4.323 ( -3.167 -2.537 -0.018) 4.057 4.694 ( -0.503 2.054 -0.168) 2.121 4.760 ( 1.804 0.107 -2.051) 2.734 4.834 ( -3.683 1.388 -0.460) 3.963 4.881 ( -3.693 -0.369 1.534) 4.016 5.597 ( -0.623 2.100 2.896) 3.631 5.642 ( -1.953 -1.580 -0.199) 2.520 5.655 ( -1.400 -1.452 0.376) 2.052 5.718 ( 2.914 -1.760 0.611) 3.459 5.826 ( -1.624 0.900 0.220) 1.870 5.855 ( -1.176 0.307 -0.783) 1.445 6.752 ( -3.194 0.170 0.165) 3.203 6.780 ( -3.150 -0.711 -1.826) 3.710 7.275 ( 0.741 0.253 -0.260) 0.825 7.341 ( -0.031 -0.815 0.264) 0.857 7.397 ( -1.362 0.606 -0.213) 1.506 7.502 ( -2.263 -1.713 0.107) 2.840 7.837 ( 1.390 0.515 0.761) 1.667 7.882 ( 2.291 -0.846 0.859) 2.589 8.143 ( 1.082 3.204 -1.446) 3.678 8.298 ( 2.209 -0.403 -0.086) 2.247 11.145 ( 1.077 0.599 0.651) 1.393 11.173 ( 0.661 0.196 0.927) 1.155 12.977 ( 1.164 0.858 0.065) 1.447 12.993 ( 1.784 0.866 -0.573) 2.064 16.437 ( -0.814 -0.304 -0.698) 1.114 16.445 ( -1.196 -0.583 0.564) 1.445 16.996 ( -1.082 2.512 0.087) 2.736 17.058 ( -0.781 0.530 -0.815) 1.247 17.246 ( -1.404 1.007 -0.850) 1.926 17.346 ( -2.359 2.365 0.163) 3.344 17.409 ( -2.325 -1.722 -1.578) 3.295 17.571 ( 0.710 -2.175 -4.963) 5.465 17.813 ( 3.042 0.754 3.688) 4.839 17.950 ( 2.415 -4.927 5.750) 7.948 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -4.936 7.431 12.593) 15.433 0.967 ( -3.728 6.008 14.061) 15.738 1.329 ( -2.162 3.585 -8.427) 9.409 1.592 ( -2.718 -1.063 -8.864) 9.332 1.617 ( -7.774 -3.300 7.009) 10.975 1.788 ( -0.945 -7.599 -1.482) 7.800 1.880 ( -2.417 -3.308 3.387) 5.316 1.921 ( 0.791 -5.109 -6.047) 7.956 2.117 ( -3.282 4.871 4.972) 7.695 2.322 ( -0.389 -2.463 2.971) 3.879 2.494 ( -1.283 2.627 6.204) 6.858 2.582 ( 0.751 -0.206 -4.597) 4.663 2.802 ( 4.145 4.864 -3.724) 7.397 2.913 ( -0.721 0.808 -4.560) 4.687 2.952 ( -1.928 1.879 1.678) 3.172 3.031 ( -0.791 0.323 2.099) 2.266 3.086 ( -0.750 2.776 -1.300) 3.155 3.307 ( 0.635 0.855 -4.999) 5.111 3.463 ( 1.908 -3.169 0.988) 3.829 3.559 ( 0.525 -0.042 1.591) 1.676 3.659 ( -1.053 -1.853 -1.336) 2.515 3.712 ( 2.697 -2.492 -2.904) 4.681 3.997 ( 1.255 -1.980 -0.310) 2.364 4.038 ( 0.261 -1.352 -0.085) 1.379 4.132 ( -5.217 0.127 -0.782) 5.277 4.244 ( -4.811 -3.024 -1.605) 5.904 4.694 ( 0.065 2.664 1.211) 2.927 4.776 ( -0.368 0.346 -1.429) 1.516 4.787 ( 0.755 0.944 0.482) 1.302 4.851 ( -2.234 -0.140 1.291) 2.584 5.586 ( -2.765 -1.439 1.529) 3.472 5.606 ( -1.085 -1.805 -1.055) 2.356 5.671 ( 0.985 2.905 2.421) 3.908 5.766 ( 1.616 -0.222 -0.045) 1.632 5.796 ( -1.651 0.312 -0.307) 1.708 5.825 ( -1.044 -0.283 -1.261) 1.661 6.710 ( -2.001 0.078 0.265) 2.020 6.716 ( -2.238 -0.024 -0.287) 2.257 7.292 ( 0.949 -0.422 0.539) 1.170 7.343 ( 0.214 -0.980 -0.031) 1.003 7.381 ( -0.507 -0.039 -0.092) 0.517 7.454 ( -2.845 -1.551 -0.677) 3.310 7.875 ( 1.467 0.796 1.706) 2.387 7.923 ( 1.356 -0.702 0.698) 1.678 8.159 ( 1.770 2.694 0.013) 3.223 8.307 ( 0.526 -0.720 -2.787) 2.926 11.172 ( 1.104 0.496 0.827) 1.466 11.190 ( 0.112 0.245 0.974) 1.011 12.995 ( 0.709 0.942 0.360) 1.233 13.019 ( 1.990 0.551 -0.914) 2.258 16.422 ( -0.278 -0.457 -0.305) 0.615 16.431 ( -1.034 -0.715 0.372) 1.311 16.985 ( -0.749 2.822 0.828) 3.034 17.039 ( -0.016 0.936 -1.485) 1.755 17.209 ( -1.718 0.600 -0.025) 1.820 17.278 ( -3.808 -1.491 -1.460) 4.342 17.401 ( -0.179 2.012 2.336) 3.088 17.536 ( 0.840 -1.637 -4.174) 4.562 17.900 ( 2.408 -0.244 3.539) 4.287 18.018 ( 0.487 -4.933 1.769) 5.264 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 1.755 6.691 8.900) 11.272 1.107 ( 2.290 -4.275 3.179) 5.799 1.321 ( -2.096 9.359 -0.940) 9.636 1.461 ( 0.399 -0.545 -9.969) 9.991 1.514 ( 0.305 -4.960 1.279) 5.132 1.555 ( 0.841 -7.741 -3.658) 8.603 1.846 ( -0.529 -0.329 0.909) 1.102 1.866 ( 1.778 -2.083 -1.326) 3.042 2.206 ( -3.055 2.909 5.634) 7.038 2.260 ( -0.823 -3.231 1.793) 3.785 2.560 ( -1.770 2.251 2.055) 3.525 2.579 ( 0.398 0.278 -1.030) 1.139 2.902 ( 0.964 3.793 1.100) 4.065 2.934 ( -0.263 1.590 0.129) 1.617 3.011 ( 0.326 4.282 1.858) 4.679 3.052 ( 0.319 1.308 0.107) 1.351 3.106 ( -1.076 0.221 1.947) 2.235 3.208 ( 1.239 -6.335 -5.429) 8.434 3.458 ( -0.220 0.724 -0.988) 1.244 3.503 ( -0.708 -3.251 -3.776) 5.033 3.631 ( -0.501 0.963 0.753) 1.321 3.662 ( 1.333 -2.466 -1.926) 3.401 4.017 ( 2.427 0.024 0.389) 2.458 4.023 ( -0.505 -0.407 0.107) 0.657 4.082 ( 0.077 0.417 -0.358) 0.555 4.103 ( -2.556 -1.692 -1.913) 3.614 4.749 ( -0.023 1.266 0.858) 1.529 4.764 ( 0.103 -0.210 -0.503) 0.555 4.835 ( 0.483 0.895 1.208) 1.579 4.843 ( 0.129 0.188 0.462) 0.515 5.538 ( -0.380 -0.556 -0.252) 0.719 5.549 ( 0.504 -1.728 -1.336) 2.242 5.756 ( -0.663 1.371 1.677) 2.265 5.772 ( -0.573 -0.404 0.076) 0.705 5.794 ( 0.874 0.995 0.371) 1.376 5.803 ( 0.046 0.138 -0.394) 0.420 6.698 ( -0.081 0.054 0.166) 0.192 6.699 ( 0.440 -0.147 -0.011) 0.464 7.320 ( 0.438 0.831 0.896) 1.298 7.336 ( 0.111 -0.325 -0.045) 0.346 7.365 ( -0.328 -0.078 -0.245) 0.417 7.383 ( -0.082 -1.507 -1.508) 2.134 7.922 ( -0.238 0.544 1.806) 1.901 7.931 ( -0.435 -0.372 1.049) 1.195 8.220 ( 0.413 1.327 -0.147) 1.398 8.245 ( -0.402 -1.235 -2.418) 2.745 11.200 ( 0.079 0.178 0.553) 0.586 11.201 ( 0.015 0.141 0.504) 0.523 13.021 ( -0.030 0.674 0.203) 0.704 13.030 ( 0.367 -0.256 -0.636) 0.778 16.411 ( -0.076 -0.168 0.075) 0.199 16.414 ( 0.294 -0.405 -0.148) 0.522 17.033 ( -0.283 1.772 0.593) 1.890 17.046 ( -0.063 0.540 -0.634) 0.835 17.198 ( 0.020 -0.309 0.022) 0.311 17.204 ( 0.350 -0.816 -0.511) 1.025 17.459 ( -0.273 1.581 1.213) 2.011 17.485 ( -0.052 -1.138 -1.314) 1.738 17.948 ( 0.255 -0.151 1.610) 1.637 17.962 ( -0.665 -1.632 0.300) 1.787 ======================= Grid point 154 (85/92) ======================= q-point: ( 0.11 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 3.740 3.970 -4.799) 7.265 1.149 ( 5.835 -0.320 -3.321) 6.721 1.361 ( 0.251 4.008 -2.770) 4.878 1.392 ( 3.020 1.837 6.198) 7.135 1.570 ( 4.200 -5.464 -0.077) 6.892 1.582 ( 5.353 -5.409 -0.814) 7.653 1.819 ( -2.762 -0.080 0.458) 2.801 1.853 ( -0.313 -3.601 -1.268) 3.830 2.274 ( 2.839 1.581 5.329) 6.241 2.305 ( 3.779 -1.671 -0.180) 4.136 2.540 ( -1.572 1.574 0.466) 2.273 2.557 ( -1.812 -0.164 0.172) 1.827 2.908 ( -1.343 4.969 -1.692) 5.418 2.921 ( -0.908 3.252 1.412) 3.660 3.041 ( 0.698 2.184 -1.878) 2.964 3.052 ( 1.663 3.245 1.128) 3.817 3.118 ( -0.886 -0.647 1.624) 1.960 3.200 ( 3.384 -5.736 -1.900) 6.925 3.432 ( -2.292 0.063 0.300) 2.312 3.477 ( -0.742 -4.365 1.381) 4.638 3.624 ( -1.233 1.166 0.690) 1.832 3.654 ( 0.491 -1.903 -1.969) 2.783 3.992 ( -0.714 0.892 -0.383) 1.205 4.017 ( -0.689 -1.727 -0.792) 2.021 4.131 ( 5.091 1.237 0.775) 5.296 4.159 ( 5.429 -1.690 1.541) 5.891 4.747 ( -0.917 1.062 0.004) 1.403 4.760 ( -0.137 -0.219 -0.206) 0.331 4.835 ( 0.352 2.012 -0.680) 2.153 4.863 ( 1.622 -0.787 -0.453) 1.859 5.551 ( 1.664 -0.624 0.583) 1.870 5.564 ( 2.318 -1.891 -0.528) 3.037 5.767 ( -0.925 1.103 -0.302) 1.471 5.769 ( -0.267 0.679 0.986) 1.227 5.796 ( 0.853 0.533 -0.280) 1.044 5.806 ( 0.656 -0.197 -0.240) 0.726 6.713 ( 1.875 0.356 -0.087) 1.911 6.721 ( 2.220 -0.417 -0.441) 2.301 7.305 ( -1.373 0.710 -0.404) 1.598 7.323 ( -1.454 -0.992 -0.148) 1.766 7.383 ( 2.449 0.856 0.137) 2.598 7.409 ( 2.740 -1.732 0.262) 3.252 7.913 ( -2.290 0.356 0.056) 2.318 7.917 ( -2.068 -0.091 0.852) 2.238 8.207 ( -1.119 1.694 -0.509) 2.093 8.238 ( 0.359 -1.474 0.641) 1.647 11.194 ( -0.799 0.565 -0.116) 0.985 11.202 ( -0.358 -0.247 -0.114) 0.450 13.013 ( -1.072 0.608 0.038) 1.233 13.020 ( -0.746 -0.104 -0.519) 0.915 16.416 ( 0.664 0.148 -0.080) 0.685 16.424 ( 1.096 -0.671 -0.272) 1.314 17.033 ( -0.689 1.224 0.645) 1.546 17.039 ( 0.026 0.675 -0.084) 0.680 17.220 ( 2.947 0.671 -0.435) 3.053 17.241 ( 3.626 -1.301 -0.199) 3.858 17.461 ( -0.998 0.579 0.566) 1.285 17.468 ( -0.635 -0.022 0.057) 0.638 17.937 ( -2.020 0.004 -0.370) 2.053 17.955 ( -1.040 -1.965 0.822) 2.370 ======================= Grid point 155 (86/92) ======================= q-point: ( 0.22 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 7.125 5.882 -9.513) 13.261 1.169 ( 5.025 -1.891 -8.741) 10.258 1.395 ( 1.817 8.328 5.986) 10.416 1.544 ( 3.001 -5.873 8.169) 10.499 1.623 ( 2.385 -3.008 -0.132) 3.841 1.653 ( 3.160 -5.852 -1.838) 6.900 1.817 ( 0.108 2.127 4.520) 4.996 1.886 ( 3.474 -4.621 1.896) 6.084 2.318 ( 2.504 1.363 -6.043) 6.682 2.335 ( 1.014 -0.505 -3.676) 3.846 2.549 ( 1.369 1.065 2.129) 2.745 2.560 ( 0.386 0.113 2.411) 2.445 2.864 ( -1.889 4.743 -0.788) 5.166 2.899 ( -2.626 0.852 0.547) 2.814 3.042 ( 2.065 1.505 -2.689) 3.709 3.073 ( 1.421 -1.163 -2.197) 2.863 3.149 ( 2.595 4.257 2.276) 5.481 3.245 ( 2.932 -5.421 -0.010) 6.163 3.417 ( -1.259 2.341 2.807) 3.866 3.486 ( -1.927 -4.490 3.874) 6.236 3.606 ( -1.916 1.334 0.770) 2.458 3.637 ( -0.767 -1.940 -1.028) 2.326 4.009 ( 2.629 0.896 0.575) 2.837 4.028 ( 2.289 -1.108 0.708) 2.640 4.219 ( 3.520 1.913 0.932) 4.113 4.257 ( 3.862 -2.100 1.359) 4.601 4.727 ( -1.142 1.477 -0.016) 1.867 4.747 ( -1.026 -0.376 -0.241) 1.119 4.856 ( 3.107 1.880 -0.509) 3.667 4.890 ( 2.881 -1.543 -1.050) 3.433 5.596 ( 2.286 -0.687 0.966) 2.575 5.606 ( 2.671 -1.693 0.069) 3.163 5.719 ( -1.836 2.123 -2.816) 3.976 5.745 ( -1.858 -0.495 -1.967) 2.750 5.830 ( 1.959 0.256 0.897) 2.170 5.835 ( 1.835 -0.176 1.064) 2.128 6.755 ( 2.864 0.250 0.255) 2.887 6.760 ( 2.841 -0.202 -0.330) 2.868 7.283 ( -0.902 0.810 -0.022) 1.213 7.304 ( -0.715 -1.354 0.466) 1.601 7.426 ( 2.440 1.477 -0.261) 2.864 7.459 ( 2.644 -1.993 0.332) 3.328 7.867 ( -2.686 0.773 -0.297) 2.811 7.879 ( -2.780 -0.554 0.130) 2.838 8.189 ( -1.094 3.288 0.380) 3.486 8.246 ( -0.623 -2.679 1.014) 2.931 11.174 ( -1.026 0.853 -0.609) 1.467 11.188 ( -0.776 -0.532 -0.678) 1.160 12.992 ( -1.330 0.610 -0.066) 1.465 12.998 ( -1.300 -0.010 -0.219) 1.318 16.430 ( 1.100 0.375 -0.043) 1.163 16.441 ( 1.360 -0.764 -0.377) 1.605 17.028 ( -0.627 1.540 0.771) 1.833 17.047 ( 0.348 -0.289 0.662) 0.802 17.267 ( 2.631 1.940 -0.267) 3.280 17.307 ( 3.870 -1.989 0.448) 4.374 17.448 ( -0.051 1.772 -0.252) 1.791 17.474 ( -0.139 -0.846 1.824) 2.015 17.888 ( -2.478 1.222 -1.661) 3.223 17.931 ( -1.776 -3.376 -1.052) 3.957 ======================= Grid point 156 (87/92) ======================= q-point: ( 0.33 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 9.611 3.638 -3.148) 10.748 1.195 ( 7.335 0.310 -3.724) 8.232 1.482 ( 0.484 7.726 4.494) 8.951 1.635 ( 0.868 -8.142 2.519) 8.567 1.670 ( 1.183 -2.460 1.739) 3.237 1.692 ( 2.876 -3.501 3.600) 5.787 1.864 ( -1.327 2.427 3.778) 4.683 1.946 ( -0.866 -5.595 2.803) 6.318 2.273 ( 1.594 1.332 -8.548) 8.796 2.286 ( 2.607 0.002 -6.628) 7.122 2.577 ( 0.378 2.067 -1.914) 2.842 2.585 ( -0.535 1.077 0.147) 1.212 2.832 ( -1.676 2.587 -0.048) 3.083 2.862 ( -3.150 -0.895 1.078) 3.447 3.047 ( 2.813 1.505 -2.679) 4.166 3.081 ( 3.705 -1.766 -1.668) 4.431 3.241 ( 4.747 2.973 2.327) 6.065 3.303 ( 3.840 -3.511 0.207) 5.207 3.438 ( -1.679 2.733 4.394) 5.440 3.490 ( -2.212 -2.280 2.923) 4.317 3.578 ( -2.604 0.791 1.085) 2.929 3.602 ( -2.333 -1.778 -0.534) 2.982 4.081 ( 4.420 1.123 0.925) 4.653 4.099 ( 3.942 -0.767 1.799) 4.401 4.257 ( 0.266 2.508 0.543) 2.580 4.305 ( 0.525 -2.433 0.615) 2.564 4.717 ( -0.508 1.250 0.677) 1.510 4.732 ( -0.377 -0.263 -0.018) 0.460 4.918 ( 3.857 1.167 0.567) 4.070 4.939 ( 3.628 -1.039 -0.120) 3.776 5.631 ( 0.052 -0.551 -0.564) 0.790 5.640 ( 0.627 -1.496 -0.490) 1.694 5.665 ( 0.236 1.449 -2.091) 2.555 5.688 ( -0.445 -0.871 -2.898) 3.058 5.867 ( 1.395 0.411 0.482) 1.532 5.871 ( 1.030 0.044 0.872) 1.350 6.802 ( 2.078 0.051 0.301) 2.100 6.804 ( 2.281 -0.172 0.394) 2.321 7.279 ( -0.016 1.417 0.892) 1.675 7.311 ( 0.285 -1.789 1.161) 2.152 7.453 ( 1.511 2.003 -0.711) 2.608 7.495 ( 1.453 -2.273 -0.325) 2.717 7.826 ( -1.874 0.559 -0.099) 1.958 7.836 ( -2.335 -0.466 -0.031) 2.381 8.178 ( -0.879 3.418 0.680) 3.594 8.237 ( -1.170 -2.721 0.145) 2.965 11.151 ( -0.757 0.901 -0.703) 1.371 11.165 ( -0.783 -0.534 -0.914) 1.316 12.972 ( -0.875 0.558 0.067) 1.040 12.977 ( -1.001 0.098 0.065) 1.008 16.449 ( 0.956 0.392 0.098) 1.038 16.458 ( 1.123 -0.626 -0.387) 1.343 17.030 ( -0.426 1.698 1.144) 2.091 17.058 ( -0.133 -1.187 0.863) 1.473 17.306 ( 1.831 3.680 1.297) 4.311 17.373 ( 2.196 -3.213 2.347) 4.544 17.458 ( 1.571 2.738 -0.572) 3.208 17.496 ( 0.042 -1.213 1.868) 2.228 17.821 ( -2.219 1.836 -3.301) 4.381 17.875 ( -1.734 -3.966 -3.689) 5.687 ======================= Grid point 157 (88/92) ======================= q-point: ( 0.44 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 8.420 3.398 -0.938) 9.128 1.340 ( 6.509 -1.334 2.889) 7.245 1.490 ( -1.818 7.209 1.495) 7.583 1.638 ( -2.764 -8.227 -0.480) 8.692 1.724 ( 2.564 1.135 2.902) 4.036 1.781 ( 1.011 -2.510 4.845) 5.549 1.854 ( -1.341 0.594 -0.439) 1.531 1.924 ( -3.559 -5.367 1.808) 6.688 2.234 ( 2.416 2.816 -3.602) 5.171 2.283 ( 3.519 -2.246 -3.721) 5.592 2.513 ( -2.825 1.613 -4.857) 5.846 2.523 ( -3.984 0.578 -3.785) 5.526 2.801 ( -1.862 1.384 0.143) 2.324 2.819 ( -1.130 -0.599 -0.629) 1.425 3.107 ( 4.299 2.306 0.596) 4.914 3.141 ( 2.942 -1.039 -0.027) 3.120 3.340 ( 2.992 0.884 2.458) 3.972 3.361 ( 1.153 -1.329 1.324) 2.202 3.445 ( -1.151 1.247 2.317) 2.872 3.473 ( -1.879 -1.299 0.934) 2.468 3.548 ( -1.759 0.539 0.681) 1.962 3.562 ( -1.243 -0.925 -0.544) 1.642 4.158 ( 3.219 1.273 0.675) 3.527 4.171 ( 1.278 0.075 1.633) 2.076 4.257 ( -0.101 1.911 0.633) 2.015 4.296 ( -1.418 -2.018 -0.184) 2.473 4.723 ( -0.035 0.730 0.941) 1.191 4.734 ( 0.394 -0.394 0.034) 0.558 4.979 ( 1.977 1.217 1.071) 2.556 4.992 ( 1.879 -0.304 0.553) 1.982 5.590 ( -0.712 -0.002 -2.702) 2.794 5.600 ( -1.233 -1.003 -2.856) 3.269 5.681 ( 0.748 -0.113 0.408) 0.860 5.690 ( 1.054 -1.032 -0.471) 1.549 5.886 ( 0.207 0.394 0.336) 0.558 5.887 ( 0.480 0.258 0.179) 0.573 6.829 ( 0.551 0.032 0.537) 0.770 6.834 ( 0.978 -0.473 0.088) 1.089 7.299 ( 0.625 1.769 1.541) 2.428 7.329 ( 0.226 -1.088 0.736) 1.333 7.465 ( 0.782 1.189 -0.275) 1.450 7.498 ( -0.124 -2.069 -1.028) 2.314 7.804 ( -0.748 0.148 0.108) 0.770 7.806 ( -1.169 -0.091 0.140) 1.180 8.177 ( -0.070 2.242 0.865) 2.405 8.215 ( -0.863 -1.696 -0.748) 2.045 11.137 ( -0.196 0.663 -0.427) 0.812 11.145 ( -0.378 -0.227 -0.830) 0.940 12.965 ( -0.129 0.430 0.129) 0.468 12.967 ( -0.343 0.245 0.134) 0.443 16.461 ( 0.363 0.291 0.142) 0.487 16.468 ( 0.545 -0.433 -0.392) 0.799 17.040 ( -0.035 1.113 1.330) 1.735 17.060 ( -0.456 -0.978 0.481) 1.181 17.362 ( 2.178 4.849 2.703) 5.964 17.422 ( -0.489 0.511 2.446) 2.547 17.481 ( 1.995 -0.800 0.052) 2.150 17.509 ( -0.791 -2.467 1.691) 3.094 17.752 ( -1.167 1.897 -3.568) 4.206 17.800 ( -1.152 -3.355 -5.170) 6.270 ======================= Grid point 158 (89/92) ======================= q-point: (-0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -7.424 7.159 -2.390) 10.587 1.393 ( 1.733 -0.450 -1.693) 2.464 1.535 ( -2.477 -0.626 -1.527) 2.976 1.587 ( 3.962 -5.885 4.136) 8.212 1.767 ( -2.769 1.235 -2.128) 3.704 1.808 ( -0.895 0.385 4.444) 4.550 1.833 ( -0.433 0.988 0.307) 1.121 1.925 ( 3.614 -5.713 -0.085) 6.760 2.253 ( -0.730 0.400 -0.089) 0.837 2.265 ( -2.536 -0.844 -3.866) 4.700 2.430 ( -2.056 1.924 0.339) 2.836 2.463 ( 1.820 -1.351 1.238) 2.583 2.793 ( 0.365 2.180 0.841) 2.365 2.823 ( 2.638 -0.905 -0.760) 2.891 3.121 ( -3.788 2.783 -0.366) 4.715 3.155 ( -0.623 -0.599 -1.425) 1.666 3.333 ( -5.832 -0.500 2.413) 6.332 3.343 ( -5.406 -1.787 2.742) 6.319 3.480 ( 2.823 1.735 0.183) 3.318 3.498 ( 4.776 -0.211 -1.680) 5.067 3.549 ( 1.054 0.141 0.627) 1.234 3.563 ( 2.412 -1.142 -0.592) 2.734 4.153 ( -3.745 2.290 0.972) 4.496 4.185 ( -1.732 -0.660 0.494) 1.918 4.266 ( 0.041 1.249 -0.094) 1.253 4.294 ( 1.880 -1.289 -0.087) 2.281 4.727 ( -0.354 0.671 0.393) 0.855 4.742 ( 0.769 -0.742 -0.513) 1.186 4.995 ( -1.432 0.861 0.333) 1.704 4.997 ( -1.481 0.610 -0.291) 1.628 5.566 ( 0.039 -0.268 -0.658) 0.711 5.573 ( 0.891 -0.968 -0.715) 1.497 5.685 ( -0.668 -0.291 0.144) 0.742 5.691 ( -0.285 -0.976 -0.585) 1.173 5.884 ( -0.728 0.830 0.303) 1.145 5.892 ( -0.041 -0.035 -0.099) 0.113 6.831 ( -0.889 0.132 0.306) 0.949 6.839 ( -0.235 -0.740 -0.272) 0.823 7.324 ( 0.052 0.985 0.750) 1.239 7.326 ( -0.306 0.801 -0.329) 0.919 7.473 ( -1.086 -0.698 -0.823) 1.531 7.478 ( 0.169 -1.131 0.542) 1.265 7.801 ( 0.104 0.175 0.402) 0.450 7.804 ( 0.422 -0.138 0.375) 0.581 8.195 ( 0.698 0.453 0.557) 1.002 8.199 ( 0.483 0.063 -0.588) 0.764 11.134 ( 0.109 0.458 -0.114) 0.484 11.139 ( 0.492 0.005 -0.346) 0.602 12.967 ( 0.278 0.481 -0.029) 0.556 12.970 ( 0.591 0.203 -0.105) 0.633 16.463 ( -0.351 0.142 0.123) 0.398 16.467 ( -0.160 -0.296 -0.417) 0.536 17.051 ( -0.365 0.575 0.673) 0.957 17.060 ( 0.425 -0.346 0.185) 0.579 17.397 ( -2.638 4.358 -0.879) 5.169 17.424 ( 1.590 5.209 2.033) 5.813 17.484 ( -3.102 -3.362 0.689) 4.626 17.538 ( 2.211 -5.383 0.630) 5.854 17.723 ( 0.370 0.897 0.095) 0.975 17.742 ( 0.472 -1.166 -2.951) 3.208 ======================= Grid point 159 (90/92) ======================= q-point: (-0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -8.620 6.887 -1.315) 11.112 1.229 ( -10.506 -1.432 -5.831) 12.101 1.568 ( 3.789 6.810 -1.963) 8.036 1.641 ( -3.651 -2.618 3.614) 5.766 1.690 ( -3.781 -4.143 -2.890) 6.310 1.746 ( -1.317 -6.761 -2.001) 7.173 1.910 ( 3.512 3.915 0.676) 5.303 1.995 ( 3.000 -4.822 0.226) 5.684 2.154 ( -4.843 2.111 0.199) 5.287 2.200 ( -4.084 -2.609 0.258) 4.853 2.468 ( -0.738 4.969 6.865) 8.507 2.545 ( 1.719 -3.011 4.481) 5.665 2.831 ( 3.469 3.916 -0.151) 5.234 2.886 ( 5.193 -1.904 -0.730) 5.579 3.027 ( -4.796 2.766 -0.590) 5.568 3.077 ( -5.510 -2.341 -1.416) 6.152 3.252 ( -5.510 0.215 1.040) 5.612 3.277 ( -5.307 -2.784 2.133) 6.361 3.516 ( 1.692 3.043 -0.652) 3.542 3.545 ( 3.829 0.334 -3.704) 5.338 3.586 ( 2.029 -0.325 0.746) 2.186 3.612 ( 3.811 -2.254 -1.364) 4.633 4.089 ( -4.361 2.274 0.156) 4.921 4.127 ( -4.291 -1.507 -0.561) 4.582 4.267 ( -0.237 2.400 -0.356) 2.438 4.310 ( -0.361 -2.047 0.159) 2.085 4.724 ( -0.018 1.065 -0.068) 1.067 4.746 ( 0.848 -1.127 -1.067) 1.769 4.937 ( -4.114 1.113 -1.054) 4.390 4.946 ( -4.151 0.054 -0.615) 4.197 5.586 ( 1.496 0.792 1.881) 2.530 5.607 ( 2.129 -1.371 1.876) 3.151 5.662 ( -1.880 -0.414 -0.203) 1.935 5.668 ( -1.295 -1.054 -0.900) 1.897 5.870 ( -1.221 1.073 0.119) 1.630 5.882 ( -0.921 -0.226 -0.234) 0.977 6.806 ( -2.278 0.391 -0.097) 2.314 6.818 ( -1.797 -0.891 -0.679) 2.118 7.304 ( -0.410 1.587 -1.274) 2.076 7.329 ( -0.239 -0.812 -0.306) 0.900 7.445 ( -1.462 1.339 -0.090) 1.985 7.482 ( -0.956 -2.345 0.833) 2.666 7.817 ( 1.099 0.432 0.684) 1.365 7.826 ( 1.471 -0.512 0.796) 1.749 8.196 ( 1.060 2.219 -1.015) 2.660 8.233 ( 1.969 -1.500 0.615) 2.550 11.140 ( 0.623 0.726 0.226) 0.983 11.151 ( 0.832 -0.302 0.332) 0.946 12.975 ( 0.887 0.660 -0.199) 1.123 12.982 ( 1.146 0.019 -0.355) 1.200 16.453 ( -0.961 -0.074 0.118) 0.971 16.454 ( -0.814 -0.181 -0.430) 0.938 17.047 ( -0.189 1.492 -0.270) 1.528 17.069 ( 0.156 -0.752 -0.029) 0.768 17.335 ( -2.942 3.880 -1.489) 5.092 17.414 ( -4.336 -4.359 -1.142) 6.253 17.450 ( -0.169 5.211 0.359) 5.226 17.546 ( 0.052 -4.760 -2.230) 5.257 17.757 ( 2.583 1.385 2.119) 3.617 17.785 ( 2.806 -1.739 3.815) 5.045 ======================= Grid point 160 (91/92) ======================= q-point: (-0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -7.853 6.554 -1.202) 10.299 1.038 ( -7.376 2.430 3.222) 8.408 1.544 ( -1.114 6.800 -6.674) 9.593 1.598 ( -4.559 -3.579 2.353) 6.256 1.605 ( -4.331 -4.167 1.319) 6.153 1.694 ( -1.082 -7.745 -5.265) 9.428 1.916 ( -1.059 1.227 -3.898) 4.222 1.947 ( -3.852 -1.831 -4.358) 6.098 2.161 ( -1.309 2.482 6.587) 7.160 2.210 ( 0.821 -2.477 6.731) 7.220 2.516 ( -1.867 4.526 6.233) 7.926 2.583 ( -1.140 -2.405 1.995) 3.326 2.872 ( 1.687 3.728 -1.756) 4.453 2.918 ( 0.595 -1.837 -2.161) 2.898 2.999 ( -0.350 1.383 1.030) 1.760 3.021 ( 0.236 -0.391 1.831) 1.887 3.176 ( -3.828 1.285 -0.353) 4.053 3.229 ( -2.447 -4.610 1.752) 5.505 3.516 ( 1.531 3.459 -4.577) 5.938 3.551 ( 1.910 0.109 -2.880) 3.457 3.622 ( 1.636 -0.691 0.162) 1.783 3.645 ( 2.062 -2.852 -1.934) 4.016 4.022 ( -3.109 1.535 -0.530) 3.508 4.051 ( -3.163 -1.367 -1.264) 3.671 4.237 ( -3.002 2.134 -0.604) 3.733 4.279 ( -3.324 -2.254 -0.437) 4.040 4.728 ( 0.509 1.595 -0.048) 1.675 4.753 ( 1.357 -0.906 -0.817) 1.825 4.856 ( -4.075 0.969 -0.539) 4.223 4.871 ( -3.817 -0.693 0.524) 3.915 5.610 ( -2.040 -0.096 -0.273) 2.060 5.620 ( -2.087 -1.158 -1.121) 2.638 5.657 ( 2.098 1.726 2.782) 3.888 5.689 ( 2.709 -1.563 2.807) 4.202 5.843 ( -1.849 0.852 -0.364) 2.068 5.855 ( -1.713 -0.336 -0.689) 1.877 6.758 ( -3.069 0.394 -0.139) 3.097 6.767 ( -3.068 -0.601 -0.795) 3.226 7.291 ( 0.366 1.318 -0.803) 1.586 7.319 ( 0.133 -1.470 -0.811) 1.684 7.421 ( -1.654 1.880 0.181) 2.511 7.462 ( -2.037 -2.360 0.106) 3.119 7.850 ( 1.592 0.804 1.152) 2.123 7.866 ( 1.854 -0.882 1.223) 2.390 8.207 ( 1.429 3.466 -1.138) 3.918 8.267 ( 1.831 -2.693 -0.665) 3.324 11.159 ( 0.919 0.773 0.704) 1.392 11.171 ( 0.770 -0.410 0.783) 1.172 12.992 ( 1.278 0.706 -0.140) 1.467 13.000 ( 1.521 -0.094 -0.388) 1.573 16.433 ( -1.083 -0.067 -0.304) 1.127 16.436 ( -1.181 -0.336 0.111) 1.233 17.040 ( -0.235 1.927 -0.266) 1.959 17.062 ( -0.366 -0.339 -0.639) 0.811 17.273 ( -2.950 2.051 -0.850) 3.692 17.323 ( -4.776 -3.010 -1.019) 5.737 17.445 ( -0.313 3.824 0.009) 3.837 17.516 ( -0.231 -3.538 -2.168) 4.156 17.837 ( 3.119 1.758 2.902) 4.608 17.879 ( 3.037 -2.821 3.544) 5.453 ======================= Grid point 161 (92/92) ======================= q-point: (-0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -3.495 9.345 5.844) 11.563 1.030 ( -2.022 -0.928 8.032) 8.335 1.426 ( -4.417 6.828 -5.334) 9.726 1.539 ( -4.756 -3.299 1.357) 5.945 1.552 ( -2.456 -2.513 -2.100) 4.093 1.611 ( -0.199 -9.170 -6.757) 11.392 1.848 ( -1.657 -0.218 -0.797) 1.851 1.864 ( 0.070 -1.703 -3.544) 3.933 2.205 ( -2.678 4.086 5.937) 7.688 2.271 ( -2.161 -3.055 4.239) 5.654 2.548 ( -0.899 2.541 3.901) 4.741 2.577 ( -0.005 -0.606 -0.261) 0.660 2.873 ( 1.219 3.311 -0.225) 3.535 2.923 ( 0.411 -1.186 0.942) 1.570 3.006 ( -0.403 3.292 0.343) 3.334 3.036 ( -0.487 -0.177 1.412) 1.504 3.127 ( -1.498 3.058 -0.694) 3.476 3.229 ( 0.844 -6.843 -1.104) 6.982 3.481 ( 1.391 3.707 -5.341) 6.648 3.546 ( 0.582 -2.138 -2.860) 3.618 3.634 ( -0.308 -0.513 -0.408) 0.724 3.651 ( 2.068 -2.597 -1.700) 3.729 3.989 ( 0.011 0.726 -0.164) 0.745 4.011 ( -0.236 -1.391 -0.372) 1.459 4.156 ( -4.960 1.914 -1.354) 5.486 4.195 ( -4.972 -2.253 -1.602) 5.689 4.738 ( 0.354 1.922 0.492) 2.015 4.766 ( 0.565 -1.119 -0.533) 1.362 4.814 ( -0.784 1.679 1.210) 2.213 4.841 ( -1.375 -1.030 1.473) 2.263 5.566 ( -2.057 -0.443 -0.684) 2.212 5.574 ( -1.370 -1.282 -1.513) 2.411 5.725 ( 1.717 2.490 2.883) 4.178 5.757 ( 1.699 -0.937 1.990) 2.779 5.804 ( -1.835 0.561 -0.607) 2.013 5.816 ( -1.413 -0.639 -1.011) 1.851 6.712 ( -2.053 0.148 0.106) 2.061 6.715 ( -2.159 -0.129 -0.064) 2.163 7.299 ( 0.913 0.976 0.121) 1.341 7.322 ( 0.838 -1.321 -0.092) 1.567 7.391 ( -1.611 1.228 -0.558) 2.101 7.421 ( -2.156 -1.827 -0.830) 2.946 7.891 ( 1.257 0.888 1.792) 2.362 7.908 ( 1.240 -0.880 1.471) 2.116 8.215 ( 1.061 3.163 -1.146) 3.527 8.272 ( 0.590 -2.693 -2.148) 3.495 11.183 ( 0.809 0.542 0.872) 1.307 11.190 ( 0.410 -0.216 0.899) 1.012 13.011 ( 0.975 0.729 0.049) 1.219 13.021 ( 1.351 -0.265 -0.427) 1.441 16.416 ( -0.615 -0.089 -0.099) 0.629 16.419 ( -0.835 -0.440 0.100) 0.949 17.034 ( -0.411 2.002 0.204) 2.054 17.052 ( 0.189 0.091 -0.830) 0.856 17.219 ( -2.481 0.715 -0.322) 2.602 17.243 ( -3.654 -1.822 -0.427) 4.105 17.448 ( 0.193 2.719 0.670) 2.807 17.497 ( 0.343 -2.422 -1.641) 2.946 17.909 ( 1.954 1.248 2.196) 3.193 17.947 ( 1.422 -2.804 1.617) 3.536 =================== 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 3/18900 10.0 192.020 181.288 256.464 0.000 -13.495 0.000 3/18900 20.0 41.764 32.582 57.557 0.000 -3.692 0.000 3/18900 30.0 17.274 13.030 23.826 0.000 -1.539 0.000 3/18900 40.0 9.903 7.413 13.641 0.000 -0.923 0.000 3/18900 50.0 6.750 5.041 9.265 0.000 -0.650 0.000 3/18900 60.0 5.084 3.792 6.948 0.000 -0.498 0.000 3/18900 70.0 4.074 3.036 5.546 0.000 -0.404 0.000 3/18900 80.0 3.402 2.534 4.615 0.000 -0.339 0.000 3/18900 90.0 2.926 2.177 3.957 0.000 -0.292 0.000 3/18900 100.0 2.570 1.912 3.467 0.000 -0.257 0.000 3/18900 110.0 2.294 1.706 3.090 0.000 -0.230 0.000 3/18900 120.0 2.075 1.542 2.791 0.000 -0.208 0.000 3/18900 130.0 1.895 1.409 2.548 0.000 -0.190 0.000 3/18900 140.0 1.746 1.298 2.347 0.000 -0.175 0.000 3/18900 150.0 1.620 1.205 2.177 0.000 -0.162 0.000 3/18900 160.0 1.513 1.125 2.033 0.000 -0.152 0.000 3/18900 170.0 1.419 1.056 1.909 0.000 -0.142 0.000 3/18900 180.0 1.337 0.995 1.800 0.000 -0.134 0.000 3/18900 190.0 1.265 0.942 1.705 0.000 -0.127 0.000 3/18900 200.0 1.200 0.894 1.620 0.000 -0.121 0.000 3/18900 210.0 1.143 0.852 1.544 0.000 -0.115 0.000 3/18900 220.0 1.091 0.813 1.476 0.000 -0.110 0.000 3/18900 230.0 1.043 0.779 1.414 0.000 -0.106 0.000 3/18900 240.0 1.000 0.747 1.357 0.000 -0.101 0.000 3/18900 250.0 0.961 0.718 1.305 0.000 -0.098 0.000 3/18900 260.0 0.924 0.691 1.258 0.000 -0.094 0.000 3/18900 270.0 0.891 0.666 1.214 0.000 -0.091 0.000 3/18900 280.0 0.860 0.643 1.173 0.000 -0.088 0.000 3/18900 290.0 0.831 0.622 1.135 0.000 -0.085 0.000 3/18900 300.0 0.804 0.602 1.100 0.000 -0.082 0.000 3/18900 310.0 0.779 0.584 1.067 0.000 -0.080 0.000 3/18900 320.0 0.755 0.566 1.036 0.000 -0.078 0.000 3/18900 330.0 0.733 0.550 1.007 0.000 -0.076 0.000 3/18900 340.0 0.712 0.534 0.979 0.000 -0.073 0.000 3/18900 350.0 0.693 0.520 0.953 0.000 -0.072 0.000 3/18900 360.0 0.674 0.506 0.928 0.000 -0.070 0.000 3/18900 370.0 0.656 0.493 0.905 0.000 -0.068 0.000 3/18900 380.0 0.640 0.481 0.883 0.000 -0.066 0.000 3/18900 390.0 0.624 0.469 0.862 0.000 -0.065 0.000 3/18900 400.0 0.609 0.458 0.842 0.000 -0.063 0.000 3/18900 410.0 0.595 0.447 0.823 0.000 -0.062 0.000 3/18900 420.0 0.581 0.437 0.805 0.000 -0.061 0.000 3/18900 430.0 0.568 0.427 0.787 0.000 -0.059 0.000 3/18900 440.0 0.555 0.418 0.770 0.000 -0.058 0.000 3/18900 450.0 0.544 0.409 0.755 0.000 -0.057 0.000 3/18900 460.0 0.532 0.401 0.739 0.000 -0.056 0.000 3/18900 470.0 0.521 0.393 0.725 0.000 -0.055 0.000 3/18900 480.0 0.511 0.385 0.710 0.000 -0.054 0.000 3/18900 490.0 0.501 0.377 0.697 0.000 -0.053 0.000 3/18900 500.0 0.491 0.370 0.684 0.000 -0.052 0.000 3/18900 510.0 0.482 0.363 0.671 0.000 -0.051 0.000 3/18900 520.0 0.473 0.356 0.659 0.000 -0.050 0.000 3/18900 530.0 0.464 0.350 0.647 0.000 -0.049 0.000 3/18900 540.0 0.456 0.344 0.636 0.000 -0.048 0.000 3/18900 550.0 0.448 0.338 0.625 0.000 -0.048 0.000 3/18900 560.0 0.440 0.332 0.615 0.000 -0.047 0.000 3/18900 570.0 0.433 0.326 0.605 0.000 -0.046 0.000 3/18900 580.0 0.425 0.321 0.595 0.000 -0.045 0.000 3/18900 590.0 0.418 0.316 0.585 0.000 -0.045 0.000 3/18900 600.0 0.412 0.311 0.576 0.000 -0.044 0.000 3/18900 610.0 0.405 0.306 0.567 0.000 -0.043 0.000 3/18900 620.0 0.399 0.301 0.558 0.000 -0.043 0.000 3/18900 630.0 0.393 0.296 0.550 0.000 -0.042 0.000 3/18900 640.0 0.387 0.292 0.542 0.000 -0.041 0.000 3/18900 650.0 0.381 0.288 0.534 0.000 -0.041 0.000 3/18900 660.0 0.375 0.283 0.526 0.000 -0.040 0.000 3/18900 670.0 0.370 0.279 0.519 0.000 -0.040 0.000 3/18900 680.0 0.365 0.275 0.512 0.000 -0.039 0.000 3/18900 690.0 0.359 0.272 0.505 0.000 -0.039 0.000 3/18900 700.0 0.354 0.268 0.498 0.000 -0.038 0.000 3/18900 710.0 0.350 0.264 0.491 0.000 -0.038 0.000 3/18900 720.0 0.345 0.261 0.485 0.000 -0.037 0.000 3/18900 730.0 0.340 0.257 0.478 0.000 -0.037 0.000 3/18900 740.0 0.336 0.254 0.472 0.000 -0.036 0.000 3/18900 750.0 0.331 0.251 0.466 0.000 -0.036 0.000 3/18900 760.0 0.327 0.247 0.460 0.000 -0.035 0.000 3/18900 770.0 0.323 0.244 0.455 0.000 -0.035 0.000 3/18900 780.0 0.319 0.241 0.449 0.000 -0.035 0.000 3/18900 790.0 0.315 0.238 0.443 0.000 -0.034 0.000 3/18900 800.0 0.311 0.235 0.438 0.000 -0.034 0.000 3/18900 810.0 0.307 0.232 0.433 0.000 -0.033 0.000 3/18900 820.0 0.304 0.230 0.428 0.000 -0.033 0.000 3/18900 830.0 0.300 0.227 0.423 0.000 -0.033 0.000 3/18900 840.0 0.297 0.224 0.418 0.000 -0.032 0.000 3/18900 850.0 0.293 0.222 0.413 0.000 -0.032 0.000 3/18900 860.0 0.290 0.219 0.409 0.000 -0.032 0.000 3/18900 870.0 0.287 0.217 0.404 0.000 -0.031 0.000 3/18900 880.0 0.284 0.215 0.400 0.000 -0.031 0.000 3/18900 890.0 0.280 0.212 0.396 0.000 -0.031 0.000 3/18900 900.0 0.277 0.210 0.391 0.000 -0.030 0.000 3/18900 910.0 0.274 0.208 0.387 0.000 -0.030 0.000 3/18900 920.0 0.272 0.205 0.383 0.000 -0.030 0.000 3/18900 930.0 0.269 0.203 0.379 0.000 -0.029 0.000 3/18900 940.0 0.266 0.201 0.375 0.000 -0.029 0.000 3/18900 950.0 0.263 0.199 0.372 0.000 -0.029 0.000 3/18900 960.0 0.260 0.197 0.368 0.000 -0.029 0.000 3/18900 970.0 0.258 0.195 0.364 0.000 -0.028 0.000 3/18900 980.0 0.255 0.193 0.361 0.000 -0.028 0.000 3/18900 990.0 0.253 0.191 0.357 0.000 -0.028 0.000 3/18900 1000.0 0.250 0.189 0.354 0.000 -0.027 0.000 3/18900 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:52:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|