----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:18:49]------------------------- 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 5.834211570041933 0.000000000000000 0.000000000000000 b 0.000000000000000 5.935729380000001 0.000000000000000 c -5.824818712803347 0.000000000000000 8.298390915672000 Atomic positions (fractional): *1 O 0.24287169476969 0.70645126904473 0.45361271154871 15.999 2 O 0.75712830523031 0.20645126904473 0.04638728845129 15.999 3 O 0.75712830523031 0.29354873095527 0.54638728845129 15.999 4 O 0.24287169476969 0.79354873095527 0.95361271154871 15.999 *5 O 0.15660046891560 0.21134620647932 0.45265190428619 15.999 6 O 0.84339953108440 0.71134620647932 0.04734809571381 15.999 7 O 0.84339953108440 0.78865379352068 0.54734809571381 15.999 8 O 0.15660046891560 0.28865379352068 0.95265190428619 15.999 *9 O 0.33502360788426 0.02861780327467 0.24695280503320 15.999 10 O 0.66497639211574 0.52861780327467 0.25304719496680 15.999 11 O 0.66497639211574 0.97138219672533 0.75304719496680 15.999 12 O 0.33502360788426 0.47138219672533 0.74695280503320 15.999 *13 Sr 0.23941937947324 0.45803610927520 0.25005743664712 87.620 14 Sr 0.76058062052676 0.95803610927520 0.24994256335288 87.620 15 Sr 0.23941937947324 0.04196389072480 0.75005743664712 87.620 16 Sr 0.76058062052676 0.54196389072480 0.74994256335288 87.620 *17 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 18 Lu 0.50000000000000 0.00000000000000 0.50000000000000 174.967 *19 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 20 Bi 0.00000000000000 0.50000000000000 0.50000000000000 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.834211570041933 0.000000000000000 0.000000000000000 b 0.000000000000000 5.935729380000001 0.000000000000000 c -5.824818712803347 0.000000000000000 8.298390915672000 Atomic positions (fractional): *1 O 0.24287169476969 0.70645126904473 0.45361271154871 15.999 > 1 2 O 0.75712830523031 0.20645126904473 0.04638728845129 15.999 > 2 3 O 0.75712830523031 0.29354873095527 0.54638728845129 15.999 > 3 4 O 0.24287169476969 0.79354873095527 0.95361271154871 15.999 > 4 *5 O 0.15660046891560 0.21134620647932 0.45265190428619 15.999 > 5 6 O 0.84339953108440 0.71134620647932 0.04734809571381 15.999 > 6 7 O 0.84339953108440 0.78865379352068 0.54734809571381 15.999 > 7 8 O 0.15660046891560 0.28865379352068 0.95265190428619 15.999 > 8 *9 O 0.33502360788426 0.02861780327467 0.24695280503320 15.999 > 9 10 O 0.66497639211574 0.52861780327467 0.25304719496680 15.999 > 10 11 O 0.66497639211574 0.97138219672533 0.75304719496680 15.999 > 11 12 O 0.33502360788426 0.47138219672533 0.74695280503320 15.999 > 12 *13 Sr 0.23941937947324 0.45803610927520 0.25005743664712 87.620 > 13 14 Sr 0.76058062052676 0.95803610927520 0.24994256335288 87.620 > 14 15 Sr 0.23941937947324 0.04196389072480 0.75005743664712 87.620 > 15 16 Sr 0.76058062052676 0.54196389072480 0.74994256335288 87.620 > 16 *17 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 17 18 Lu 0.50000000000000 0.00000000000000 0.50000000000000 174.967 > 18 *19 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 19 20 Bi 0.00000000000000 0.50000000000000 0.50000000000000 208.980 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.668423140083865 0.000000000000000 0.000000000000000 b 0.000000000000000 11.871458760000001 0.000000000000000 c -5.824818712803347 0.000000000000000 8.298390915672000 Atomic positions (fractional): *1 O 0.12143584738485 0.35322563452237 0.45361271154871 15.999 > 1 2 O 0.62143584738485 0.35322563452237 0.45361271154871 15.999 > 1 3 O 0.12143584738485 0.85322563452237 0.45361271154871 15.999 > 1 4 O 0.62143584738485 0.85322563452237 0.45361271154871 15.999 > 1 5 O 0.37856415261516 0.10322563452237 0.04638728845129 15.999 > 2 6 O 0.87856415261516 0.10322563452237 0.04638728845129 15.999 > 2 7 O 0.37856415261516 0.60322563452237 0.04638728845129 15.999 > 2 8 O 0.87856415261516 0.60322563452237 0.04638728845129 15.999 > 2 9 O 0.37856415261516 0.14677436547763 0.54638728845129 15.999 > 3 10 O 0.87856415261516 0.14677436547763 0.54638728845129 15.999 > 3 11 O 0.37856415261516 0.64677436547763 0.54638728845129 15.999 > 3 12 O 0.87856415261516 0.64677436547763 0.54638728845129 15.999 > 3 13 O 0.12143584738485 0.39677436547763 0.95361271154871 15.999 > 4 14 O 0.62143584738485 0.39677436547763 0.95361271154871 15.999 > 4 15 O 0.12143584738485 0.89677436547763 0.95361271154871 15.999 > 4 16 O 0.62143584738485 0.89677436547763 0.95361271154871 15.999 > 4 *17 O 0.07830023445780 0.10567310323966 0.45265190428619 15.999 > 5 18 O 0.57830023445780 0.10567310323966 0.45265190428619 15.999 > 5 19 O 0.07830023445780 0.60567310323966 0.45265190428619 15.999 > 5 20 O 0.57830023445780 0.60567310323966 0.45265190428619 15.999 > 5 21 O 0.42169976554220 0.35567310323966 0.04734809571381 15.999 > 6 22 O 0.92169976554220 0.35567310323966 0.04734809571381 15.999 > 6 23 O 0.42169976554220 0.85567310323966 0.04734809571381 15.999 > 6 24 O 0.92169976554220 0.85567310323966 0.04734809571381 15.999 > 6 25 O 0.42169976554220 0.39432689676034 0.54734809571381 15.999 > 7 26 O 0.92169976554220 0.39432689676034 0.54734809571381 15.999 > 7 27 O 0.42169976554220 0.89432689676034 0.54734809571381 15.999 > 7 28 O 0.92169976554220 0.89432689676034 0.54734809571381 15.999 > 7 29 O 0.07830023445780 0.14432689676034 0.95265190428619 15.999 > 8 30 O 0.57830023445780 0.14432689676034 0.95265190428619 15.999 > 8 31 O 0.07830023445780 0.64432689676034 0.95265190428619 15.999 > 8 32 O 0.57830023445780 0.64432689676034 0.95265190428619 15.999 > 8 *33 O 0.16751180394213 0.01430890163733 0.24695280503320 15.999 > 9 34 O 0.66751180394213 0.01430890163733 0.24695280503320 15.999 > 9 35 O 0.16751180394213 0.51430890163733 0.24695280503320 15.999 > 9 36 O 0.66751180394213 0.51430890163733 0.24695280503320 15.999 > 9 37 O 0.33248819605787 0.26430890163733 0.25304719496680 15.999 > 10 38 O 0.83248819605787 0.26430890163733 0.25304719496680 15.999 > 10 39 O 0.33248819605787 0.76430890163733 0.25304719496680 15.999 > 10 40 O 0.83248819605787 0.76430890163733 0.25304719496680 15.999 > 10 41 O 0.33248819605787 0.48569109836267 0.75304719496680 15.999 > 11 42 O 0.83248819605787 0.48569109836267 0.75304719496680 15.999 > 11 43 O 0.33248819605787 0.98569109836267 0.75304719496680 15.999 > 11 44 O 0.83248819605787 0.98569109836267 0.75304719496680 15.999 > 11 45 O 0.16751180394213 0.23569109836267 0.74695280503320 15.999 > 12 46 O 0.66751180394213 0.23569109836267 0.74695280503320 15.999 > 12 47 O 0.16751180394213 0.73569109836267 0.74695280503320 15.999 > 12 48 O 0.66751180394213 0.73569109836267 0.74695280503320 15.999 > 12 *49 Sr 0.11970968973662 0.22901805463760 0.25005743664712 87.620 > 13 50 Sr 0.61970968973662 0.22901805463760 0.25005743664712 87.620 > 13 51 Sr 0.11970968973662 0.72901805463760 0.25005743664712 87.620 > 13 52 Sr 0.61970968973662 0.72901805463760 0.25005743664712 87.620 > 13 53 Sr 0.38029031026338 0.47901805463760 0.24994256335288 87.620 > 14 54 Sr 0.88029031026338 0.47901805463760 0.24994256335288 87.620 > 14 55 Sr 0.38029031026338 0.97901805463760 0.24994256335288 87.620 > 14 56 Sr 0.88029031026338 0.97901805463760 0.24994256335288 87.620 > 14 57 Sr 0.11970968973662 0.02098194536240 0.75005743664712 87.620 > 15 58 Sr 0.61970968973662 0.02098194536240 0.75005743664712 87.620 > 15 59 Sr 0.11970968973662 0.52098194536240 0.75005743664712 87.620 > 15 60 Sr 0.61970968973662 0.52098194536240 0.75005743664712 87.620 > 15 61 Sr 0.38029031026338 0.27098194536240 0.74994256335288 87.620 > 16 62 Sr 0.88029031026338 0.27098194536240 0.74994256335288 87.620 > 16 63 Sr 0.38029031026338 0.77098194536240 0.74994256335288 87.620 > 16 64 Sr 0.88029031026338 0.77098194536240 0.74994256335288 87.620 > 16 *65 Lu 0.25000000000000 0.25000000000000 0.00000000000000 174.967 > 17 66 Lu 0.75000000000000 0.25000000000000 0.00000000000000 174.967 > 17 67 Lu 0.25000000000000 0.75000000000000 0.00000000000000 174.967 > 17 68 Lu 0.75000000000000 0.75000000000000 0.00000000000000 174.967 > 17 69 Lu 0.25000000000000 0.00000000000000 0.50000000000000 174.967 > 18 70 Lu 0.75000000000000 0.00000000000000 0.50000000000000 174.967 > 18 71 Lu 0.25000000000000 0.50000000000000 0.50000000000000 174.967 > 18 72 Lu 0.75000000000000 0.50000000000000 0.50000000000000 174.967 > 18 *73 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 19 74 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 19 75 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 19 76 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 19 77 Bi 0.00000000000000 0.25000000000000 0.50000000000000 208.980 > 20 78 Bi 0.50000000000000 0.25000000000000 0.50000000000000 208.980 > 20 79 Bi 0.00000000000000 0.75000000000000 0.50000000000000 208.980 > 20 80 Bi 0.50000000000000 0.75000000000000 0.50000000000000 208.980 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7183276 0.0000000 -0.0094950 0.0000000 4.8172815 0.0000000 -0.0095728 0.0000000 4.6889244 -------------------------- Born effective charges -------------------------- 1 O -2.5777204 -0.7564258 -0.0254301 -0.7347462 -2.6832117 -0.0693499 0.0106118 -0.0420899 -1.8567694 2 O -2.5777204 0.7564258 -0.0254301 0.7347462 -2.6832117 0.0693499 0.0106118 0.0420899 -1.8567694 3 O -2.5777204 -0.7564258 -0.0254301 -0.7347462 -2.6832117 -0.0693499 0.0106118 -0.0420899 -1.8567694 4 O -2.5777204 0.7564258 -0.0254301 0.7347462 -2.6832117 0.0693499 0.0106118 0.0420899 -1.8567694 5 O -2.5470705 0.7064630 0.0280824 0.7745796 -2.6944215 -0.0639946 0.0367026 -0.1042005 -1.8328336 6 O -2.5470705 -0.7064630 0.0280824 -0.7745796 -2.6944215 0.0639946 0.0367026 0.1042005 -1.8328336 7 O -2.5470705 0.7064630 0.0280824 0.7745796 -2.6944215 -0.0639946 0.0367026 -0.1042005 -1.8328336 8 O -2.5470705 -0.7064630 0.0280824 -0.7745796 -2.6944215 0.0639946 0.0367026 0.1042005 -1.8328336 9 O -1.9858915 0.0384926 -0.0434860 0.1483244 -1.7762572 -0.0195207 0.0125537 0.0252354 -3.3235116 10 O -1.9858915 -0.0384926 -0.0434860 -0.1483244 -1.7762572 0.0195207 0.0125537 -0.0252354 -3.3235116 11 O -1.9858915 0.0384926 -0.0434860 0.1483244 -1.7762572 -0.0195207 0.0125537 0.0252354 -3.3235116 12 O -1.9858915 -0.0384926 -0.0434860 -0.1483244 -1.7762572 0.0195207 0.0125537 -0.0252354 -3.3235116 13 Sr 2.6589845 -0.1616788 -0.0788643 -0.2498419 2.6135830 -0.0048138 0.0549289 0.0723765 2.5257344 14 Sr 2.6589845 0.1616788 -0.0788643 0.2498419 2.6135830 0.0048138 0.0549289 -0.0723765 2.5257344 15 Sr 2.6589845 0.1616788 -0.0788643 0.2498419 2.6135830 0.0048138 0.0549289 -0.0723765 2.5257344 16 Sr 2.6589845 -0.1616788 -0.0788643 -0.2498419 2.6135830 -0.0048138 0.0549289 0.0723765 2.5257344 17 Lu 4.2304121 -0.4051556 0.6816197 0.3752014 4.3247373 0.0631408 -0.5503997 0.2539929 4.2480145 18 Lu 4.2304121 0.4051556 0.6816197 -0.3752014 4.3247373 -0.0631408 -0.5503997 -0.2539929 4.2480145 19 Bi 4.6729837 0.2407015 -0.4422237 -0.2279743 4.7558774 0.0742044 0.3208059 0.1128524 4.7267460 20 Bi 4.6729837 -0.2407015 -0.4422237 0.2279743 4.7558774 -0.0742044 0.3208059 -0.1128524 4.7267460 ---------------------------------------------------------------------------- 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: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.243 Solver_block: 200 / 640 - Time: 2.276 Solver_block: 300 / 640 - Time: 2.402 Solver_block: 400 / 640 - Time: 2.256 Solver_block: 500 / 640 - Time: 2.344 Solver_block: 600 / 640 - Time: 2.298 Solver_block: 640 / 640 - Time: 0.980 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.926 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:19:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:19:31]------------------------- 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 5.834211570041933 0.000000000000000 0.000000000000000 b 0.000000000000000 5.935729380000001 0.000000000000000 c -5.824818712803347 0.000000000000000 8.298390915672000 Atomic positions (fractional): 1 O 0.24287169476969 0.70645126904473 0.45361271154871 15.999 2 O 0.75712830523031 0.20645126904473 0.04638728845129 15.999 3 O 0.75712830523031 0.29354873095527 0.54638728845129 15.999 4 O 0.24287169476969 0.79354873095527 0.95361271154871 15.999 5 O 0.15660046891560 0.21134620647932 0.45265190428619 15.999 6 O 0.84339953108440 0.71134620647932 0.04734809571381 15.999 7 O 0.84339953108440 0.78865379352068 0.54734809571381 15.999 8 O 0.15660046891560 0.28865379352068 0.95265190428619 15.999 9 O 0.33502360788426 0.02861780327467 0.24695280503320 15.999 10 O 0.66497639211574 0.52861780327467 0.25304719496680 15.999 11 O 0.66497639211574 0.97138219672533 0.75304719496680 15.999 12 O 0.33502360788426 0.47138219672533 0.74695280503320 15.999 13 Sr 0.23941937947324 0.45803610927520 0.25005743664712 87.620 14 Sr 0.76058062052676 0.95803610927520 0.24994256335288 87.620 15 Sr 0.23941937947324 0.04196389072480 0.75005743664712 87.620 16 Sr 0.76058062052676 0.54196389072480 0.74994256335288 87.620 17 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 18 Lu 0.50000000000000 0.00000000000000 0.50000000000000 174.967 19 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 20 Bi 0.00000000000000 0.50000000000000 0.50000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.668423140083865 0.000000000000000 0.000000000000000 b 0.000000000000000 11.871458760000001 0.000000000000000 c -5.824818712803347 0.000000000000000 8.298390915672000 Atomic positions (fractional): 1 O 0.12143584738485 0.35322563452237 0.45361271154871 15.999 > 1 2 O 0.62143584738485 0.35322563452237 0.45361271154871 15.999 > 1 3 O 0.12143584738485 0.85322563452237 0.45361271154871 15.999 > 1 4 O 0.62143584738485 0.85322563452237 0.45361271154871 15.999 > 1 5 O 0.37856415261516 0.10322563452237 0.04638728845129 15.999 > 5 6 O 0.87856415261516 0.10322563452237 0.04638728845129 15.999 > 5 7 O 0.37856415261516 0.60322563452237 0.04638728845129 15.999 > 5 8 O 0.87856415261516 0.60322563452237 0.04638728845129 15.999 > 5 9 O 0.37856415261516 0.14677436547763 0.54638728845129 15.999 > 9 10 O 0.87856415261516 0.14677436547763 0.54638728845129 15.999 > 9 11 O 0.37856415261516 0.64677436547763 0.54638728845129 15.999 > 9 12 O 0.87856415261516 0.64677436547763 0.54638728845129 15.999 > 9 13 O 0.12143584738485 0.39677436547763 0.95361271154871 15.999 > 13 14 O 0.62143584738485 0.39677436547763 0.95361271154871 15.999 > 13 15 O 0.12143584738485 0.89677436547763 0.95361271154871 15.999 > 13 16 O 0.62143584738485 0.89677436547763 0.95361271154871 15.999 > 13 17 O 0.07830023445780 0.10567310323966 0.45265190428619 15.999 > 17 18 O 0.57830023445780 0.10567310323966 0.45265190428619 15.999 > 17 19 O 0.07830023445780 0.60567310323966 0.45265190428619 15.999 > 17 20 O 0.57830023445780 0.60567310323966 0.45265190428619 15.999 > 17 21 O 0.42169976554220 0.35567310323966 0.04734809571381 15.999 > 21 22 O 0.92169976554220 0.35567310323966 0.04734809571381 15.999 > 21 23 O 0.42169976554220 0.85567310323966 0.04734809571381 15.999 > 21 24 O 0.92169976554220 0.85567310323966 0.04734809571381 15.999 > 21 25 O 0.42169976554220 0.39432689676034 0.54734809571381 15.999 > 25 26 O 0.92169976554220 0.39432689676034 0.54734809571381 15.999 > 25 27 O 0.42169976554220 0.89432689676034 0.54734809571381 15.999 > 25 28 O 0.92169976554220 0.89432689676034 0.54734809571381 15.999 > 25 29 O 0.07830023445780 0.14432689676034 0.95265190428619 15.999 > 29 30 O 0.57830023445780 0.14432689676034 0.95265190428619 15.999 > 29 31 O 0.07830023445780 0.64432689676034 0.95265190428619 15.999 > 29 32 O 0.57830023445780 0.64432689676034 0.95265190428619 15.999 > 29 33 O 0.16751180394213 0.01430890163733 0.24695280503320 15.999 > 33 34 O 0.66751180394213 0.01430890163733 0.24695280503320 15.999 > 33 35 O 0.16751180394213 0.51430890163733 0.24695280503320 15.999 > 33 36 O 0.66751180394213 0.51430890163733 0.24695280503320 15.999 > 33 37 O 0.33248819605787 0.26430890163733 0.25304719496680 15.999 > 37 38 O 0.83248819605787 0.26430890163733 0.25304719496680 15.999 > 37 39 O 0.33248819605787 0.76430890163733 0.25304719496680 15.999 > 37 40 O 0.83248819605787 0.76430890163733 0.25304719496680 15.999 > 37 41 O 0.33248819605787 0.48569109836267 0.75304719496680 15.999 > 41 42 O 0.83248819605787 0.48569109836267 0.75304719496680 15.999 > 41 43 O 0.33248819605787 0.98569109836267 0.75304719496680 15.999 > 41 44 O 0.83248819605787 0.98569109836267 0.75304719496680 15.999 > 41 45 O 0.16751180394213 0.23569109836267 0.74695280503320 15.999 > 45 46 O 0.66751180394213 0.23569109836267 0.74695280503320 15.999 > 45 47 O 0.16751180394213 0.73569109836267 0.74695280503320 15.999 > 45 48 O 0.66751180394213 0.73569109836267 0.74695280503320 15.999 > 45 49 Sr 0.11970968973662 0.22901805463760 0.25005743664712 87.620 > 49 50 Sr 0.61970968973662 0.22901805463760 0.25005743664712 87.620 > 49 51 Sr 0.11970968973662 0.72901805463760 0.25005743664712 87.620 > 49 52 Sr 0.61970968973662 0.72901805463760 0.25005743664712 87.620 > 49 53 Sr 0.38029031026338 0.47901805463760 0.24994256335288 87.620 > 53 54 Sr 0.88029031026338 0.47901805463760 0.24994256335288 87.620 > 53 55 Sr 0.38029031026338 0.97901805463760 0.24994256335288 87.620 > 53 56 Sr 0.88029031026338 0.97901805463760 0.24994256335288 87.620 > 53 57 Sr 0.11970968973662 0.02098194536240 0.75005743664712 87.620 > 57 58 Sr 0.61970968973662 0.02098194536240 0.75005743664712 87.620 > 57 59 Sr 0.11970968973662 0.52098194536240 0.75005743664712 87.620 > 57 60 Sr 0.61970968973662 0.52098194536240 0.75005743664712 87.620 > 57 61 Sr 0.38029031026338 0.27098194536240 0.74994256335288 87.620 > 61 62 Sr 0.88029031026338 0.27098194536240 0.74994256335288 87.620 > 61 63 Sr 0.38029031026338 0.77098194536240 0.74994256335288 87.620 > 61 64 Sr 0.88029031026338 0.77098194536240 0.74994256335288 87.620 > 61 65 Lu 0.25000000000000 0.25000000000000 0.00000000000000 174.967 > 65 66 Lu 0.75000000000000 0.25000000000000 0.00000000000000 174.967 > 65 67 Lu 0.25000000000000 0.75000000000000 0.00000000000000 174.967 > 65 68 Lu 0.75000000000000 0.75000000000000 0.00000000000000 174.967 > 65 69 Lu 0.25000000000000 0.00000000000000 0.50000000000000 174.967 > 69 70 Lu 0.75000000000000 0.00000000000000 0.50000000000000 174.967 > 69 71 Lu 0.25000000000000 0.50000000000000 0.50000000000000 174.967 > 69 72 Lu 0.75000000000000 0.50000000000000 0.50000000000000 174.967 > 69 73 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 73 74 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 73 75 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 73 76 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 73 77 Bi 0.00000000000000 0.25000000000000 0.50000000000000 208.980 > 77 78 Bi 0.50000000000000 0.25000000000000 0.50000000000000 208.980 > 77 79 Bi 0.00000000000000 0.75000000000000 0.50000000000000 208.980 > 77 80 Bi 0.50000000000000 0.75000000000000 0.50000000000000 208.980 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7183276 0.0000000 -0.0094950 0.0000000 4.8172815 0.0000000 -0.0095728 0.0000000 4.6889244 -------------------------- Born effective charges -------------------------- 1 O -2.5777204 -0.7564258 -0.0254301 -0.7347462 -2.6832117 -0.0693499 0.0106118 -0.0420899 -1.8567694 2 O -2.5777204 0.7564258 -0.0254301 0.7347462 -2.6832117 0.0693499 0.0106118 0.0420899 -1.8567694 3 O -2.5777204 -0.7564258 -0.0254301 -0.7347462 -2.6832117 -0.0693499 0.0106118 -0.0420899 -1.8567694 4 O -2.5777204 0.7564258 -0.0254301 0.7347462 -2.6832117 0.0693499 0.0106118 0.0420899 -1.8567694 5 O -2.5470705 0.7064630 0.0280824 0.7745796 -2.6944215 -0.0639946 0.0367026 -0.1042005 -1.8328336 6 O -2.5470705 -0.7064630 0.0280824 -0.7745796 -2.6944215 0.0639946 0.0367026 0.1042005 -1.8328336 7 O -2.5470705 0.7064630 0.0280824 0.7745796 -2.6944215 -0.0639946 0.0367026 -0.1042005 -1.8328336 8 O -2.5470705 -0.7064630 0.0280824 -0.7745796 -2.6944215 0.0639946 0.0367026 0.1042005 -1.8328336 9 O -1.9858915 0.0384926 -0.0434860 0.1483244 -1.7762572 -0.0195207 0.0125537 0.0252354 -3.3235116 10 O -1.9858915 -0.0384926 -0.0434860 -0.1483244 -1.7762572 0.0195207 0.0125537 -0.0252354 -3.3235116 11 O -1.9858915 0.0384926 -0.0434860 0.1483244 -1.7762572 -0.0195207 0.0125537 0.0252354 -3.3235116 12 O -1.9858915 -0.0384926 -0.0434860 -0.1483244 -1.7762572 0.0195207 0.0125537 -0.0252354 -3.3235116 13 Sr 2.6589845 -0.1616788 -0.0788643 -0.2498419 2.6135830 -0.0048138 0.0549289 0.0723765 2.5257344 14 Sr 2.6589845 0.1616788 -0.0788643 0.2498419 2.6135830 0.0048138 0.0549289 -0.0723765 2.5257344 15 Sr 2.6589845 0.1616788 -0.0788643 0.2498419 2.6135830 0.0048138 0.0549289 -0.0723765 2.5257344 16 Sr 2.6589845 -0.1616788 -0.0788643 -0.2498419 2.6135830 -0.0048138 0.0549289 0.0723765 2.5257344 17 Lu 4.2304121 -0.4051556 0.6816197 0.3752014 4.3247373 0.0631408 -0.5503997 0.2539929 4.2480145 18 Lu 4.2304121 0.4051556 0.6816197 -0.3752014 4.3247373 -0.0631408 -0.5503997 -0.2539929 4.2480145 19 Bi 4.6729837 0.2407015 -0.4422237 -0.2279743 4.7558774 0.0742044 0.3208059 0.1128524 4.7267460 20 Bi 4.6729837 -0.2407015 -0.4422237 0.2279743 4.7558774 -0.0742044 0.3208059 -0.1128524 4.7267460 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000009 (zx) 0.00000009 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:19:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:19:48]------------------------- 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 5.834211570041933 0.000000000000000 0.000000000000000 b 0.000000000000000 5.935729380000001 0.000000000000000 c -5.824818712803347 0.000000000000000 8.298390915672000 Atomic positions (fractional): 1 O 0.24287169476969 0.70645126904473 0.45361271154871 15.999 2 O 0.75712830523031 0.20645126904473 0.04638728845129 15.999 3 O 0.75712830523031 0.29354873095527 0.54638728845129 15.999 4 O 0.24287169476969 0.79354873095527 0.95361271154871 15.999 5 O 0.15660046891560 0.21134620647932 0.45265190428619 15.999 6 O 0.84339953108440 0.71134620647932 0.04734809571381 15.999 7 O 0.84339953108440 0.78865379352068 0.54734809571381 15.999 8 O 0.15660046891560 0.28865379352068 0.95265190428619 15.999 9 O 0.33502360788426 0.02861780327467 0.24695280503320 15.999 10 O 0.66497639211574 0.52861780327467 0.25304719496680 15.999 11 O 0.66497639211574 0.97138219672533 0.75304719496680 15.999 12 O 0.33502360788426 0.47138219672533 0.74695280503320 15.999 13 Sr 0.23941937947324 0.45803610927520 0.25005743664712 87.620 14 Sr 0.76058062052676 0.95803610927520 0.24994256335288 87.620 15 Sr 0.23941937947324 0.04196389072480 0.75005743664712 87.620 16 Sr 0.76058062052676 0.54196389072480 0.74994256335288 87.620 17 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 18 Lu 0.50000000000000 0.00000000000000 0.50000000000000 174.967 19 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 20 Bi 0.00000000000000 0.50000000000000 0.50000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.668423140083865 0.000000000000000 0.000000000000000 b 0.000000000000000 11.871458760000001 0.000000000000000 c -5.824818712803347 0.000000000000000 8.298390915672000 Atomic positions (fractional): 1 O 0.12143584738485 0.35322563452237 0.45361271154871 15.999 > 1 2 O 0.62143584738485 0.35322563452237 0.45361271154871 15.999 > 1 3 O 0.12143584738485 0.85322563452237 0.45361271154871 15.999 > 1 4 O 0.62143584738485 0.85322563452237 0.45361271154871 15.999 > 1 5 O 0.37856415261516 0.10322563452237 0.04638728845129 15.999 > 5 6 O 0.87856415261516 0.10322563452237 0.04638728845129 15.999 > 5 7 O 0.37856415261516 0.60322563452237 0.04638728845129 15.999 > 5 8 O 0.87856415261516 0.60322563452237 0.04638728845129 15.999 > 5 9 O 0.37856415261516 0.14677436547763 0.54638728845129 15.999 > 9 10 O 0.87856415261516 0.14677436547763 0.54638728845129 15.999 > 9 11 O 0.37856415261516 0.64677436547763 0.54638728845129 15.999 > 9 12 O 0.87856415261516 0.64677436547763 0.54638728845129 15.999 > 9 13 O 0.12143584738485 0.39677436547763 0.95361271154871 15.999 > 13 14 O 0.62143584738485 0.39677436547763 0.95361271154871 15.999 > 13 15 O 0.12143584738485 0.89677436547763 0.95361271154871 15.999 > 13 16 O 0.62143584738485 0.89677436547763 0.95361271154871 15.999 > 13 17 O 0.07830023445780 0.10567310323966 0.45265190428619 15.999 > 17 18 O 0.57830023445780 0.10567310323966 0.45265190428619 15.999 > 17 19 O 0.07830023445780 0.60567310323966 0.45265190428619 15.999 > 17 20 O 0.57830023445780 0.60567310323966 0.45265190428619 15.999 > 17 21 O 0.42169976554220 0.35567310323966 0.04734809571381 15.999 > 21 22 O 0.92169976554220 0.35567310323966 0.04734809571381 15.999 > 21 23 O 0.42169976554220 0.85567310323966 0.04734809571381 15.999 > 21 24 O 0.92169976554220 0.85567310323966 0.04734809571381 15.999 > 21 25 O 0.42169976554220 0.39432689676034 0.54734809571381 15.999 > 25 26 O 0.92169976554220 0.39432689676034 0.54734809571381 15.999 > 25 27 O 0.42169976554220 0.89432689676034 0.54734809571381 15.999 > 25 28 O 0.92169976554220 0.89432689676034 0.54734809571381 15.999 > 25 29 O 0.07830023445780 0.14432689676034 0.95265190428619 15.999 > 29 30 O 0.57830023445780 0.14432689676034 0.95265190428619 15.999 > 29 31 O 0.07830023445780 0.64432689676034 0.95265190428619 15.999 > 29 32 O 0.57830023445780 0.64432689676034 0.95265190428619 15.999 > 29 33 O 0.16751180394213 0.01430890163733 0.24695280503320 15.999 > 33 34 O 0.66751180394213 0.01430890163733 0.24695280503320 15.999 > 33 35 O 0.16751180394213 0.51430890163733 0.24695280503320 15.999 > 33 36 O 0.66751180394213 0.51430890163733 0.24695280503320 15.999 > 33 37 O 0.33248819605787 0.26430890163733 0.25304719496680 15.999 > 37 38 O 0.83248819605787 0.26430890163733 0.25304719496680 15.999 > 37 39 O 0.33248819605787 0.76430890163733 0.25304719496680 15.999 > 37 40 O 0.83248819605787 0.76430890163733 0.25304719496680 15.999 > 37 41 O 0.33248819605787 0.48569109836267 0.75304719496680 15.999 > 41 42 O 0.83248819605787 0.48569109836267 0.75304719496680 15.999 > 41 43 O 0.33248819605787 0.98569109836267 0.75304719496680 15.999 > 41 44 O 0.83248819605787 0.98569109836267 0.75304719496680 15.999 > 41 45 O 0.16751180394213 0.23569109836267 0.74695280503320 15.999 > 45 46 O 0.66751180394213 0.23569109836267 0.74695280503320 15.999 > 45 47 O 0.16751180394213 0.73569109836267 0.74695280503320 15.999 > 45 48 O 0.66751180394213 0.73569109836267 0.74695280503320 15.999 > 45 49 Sr 0.11970968973662 0.22901805463760 0.25005743664712 87.620 > 49 50 Sr 0.61970968973662 0.22901805463760 0.25005743664712 87.620 > 49 51 Sr 0.11970968973662 0.72901805463760 0.25005743664712 87.620 > 49 52 Sr 0.61970968973662 0.72901805463760 0.25005743664712 87.620 > 49 53 Sr 0.38029031026338 0.47901805463760 0.24994256335288 87.620 > 53 54 Sr 0.88029031026338 0.47901805463760 0.24994256335288 87.620 > 53 55 Sr 0.38029031026338 0.97901805463760 0.24994256335288 87.620 > 53 56 Sr 0.88029031026338 0.97901805463760 0.24994256335288 87.620 > 53 57 Sr 0.11970968973662 0.02098194536240 0.75005743664712 87.620 > 57 58 Sr 0.61970968973662 0.02098194536240 0.75005743664712 87.620 > 57 59 Sr 0.11970968973662 0.52098194536240 0.75005743664712 87.620 > 57 60 Sr 0.61970968973662 0.52098194536240 0.75005743664712 87.620 > 57 61 Sr 0.38029031026338 0.27098194536240 0.74994256335288 87.620 > 61 62 Sr 0.88029031026338 0.27098194536240 0.74994256335288 87.620 > 61 63 Sr 0.38029031026338 0.77098194536240 0.74994256335288 87.620 > 61 64 Sr 0.88029031026338 0.77098194536240 0.74994256335288 87.620 > 61 65 Lu 0.25000000000000 0.25000000000000 0.00000000000000 174.967 > 65 66 Lu 0.75000000000000 0.25000000000000 0.00000000000000 174.967 > 65 67 Lu 0.25000000000000 0.75000000000000 0.00000000000000 174.967 > 65 68 Lu 0.75000000000000 0.75000000000000 0.00000000000000 174.967 > 65 69 Lu 0.25000000000000 0.00000000000000 0.50000000000000 174.967 > 69 70 Lu 0.75000000000000 0.00000000000000 0.50000000000000 174.967 > 69 71 Lu 0.25000000000000 0.50000000000000 0.50000000000000 174.967 > 69 72 Lu 0.75000000000000 0.50000000000000 0.50000000000000 174.967 > 69 73 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 73 74 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 73 75 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 73 76 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 73 77 Bi 0.00000000000000 0.25000000000000 0.50000000000000 208.980 > 77 78 Bi 0.50000000000000 0.25000000000000 0.50000000000000 208.980 > 77 79 Bi 0.00000000000000 0.75000000000000 0.50000000000000 208.980 > 77 80 Bi 0.50000000000000 0.75000000000000 0.50000000000000 208.980 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7183276 0.0000000 -0.0094950 0.0000000 4.8172815 0.0000000 -0.0095728 0.0000000 4.6889244 -------------------------- Born effective charges -------------------------- 1 O -2.5777204 -0.7564258 -0.0254301 -0.7347462 -2.6832117 -0.0693499 0.0106118 -0.0420899 -1.8567694 2 O -2.5777204 0.7564258 -0.0254301 0.7347462 -2.6832117 0.0693499 0.0106118 0.0420899 -1.8567694 3 O -2.5777204 -0.7564258 -0.0254301 -0.7347462 -2.6832117 -0.0693499 0.0106118 -0.0420899 -1.8567694 4 O -2.5777204 0.7564258 -0.0254301 0.7347462 -2.6832117 0.0693499 0.0106118 0.0420899 -1.8567694 5 O -2.5470705 0.7064630 0.0280824 0.7745796 -2.6944215 -0.0639946 0.0367026 -0.1042005 -1.8328336 6 O -2.5470705 -0.7064630 0.0280824 -0.7745796 -2.6944215 0.0639946 0.0367026 0.1042005 -1.8328336 7 O -2.5470705 0.7064630 0.0280824 0.7745796 -2.6944215 -0.0639946 0.0367026 -0.1042005 -1.8328336 8 O -2.5470705 -0.7064630 0.0280824 -0.7745796 -2.6944215 0.0639946 0.0367026 0.1042005 -1.8328336 9 O -1.9858915 0.0384926 -0.0434860 0.1483244 -1.7762572 -0.0195207 0.0125537 0.0252354 -3.3235116 10 O -1.9858915 -0.0384926 -0.0434860 -0.1483244 -1.7762572 0.0195207 0.0125537 -0.0252354 -3.3235116 11 O -1.9858915 0.0384926 -0.0434860 0.1483244 -1.7762572 -0.0195207 0.0125537 0.0252354 -3.3235116 12 O -1.9858915 -0.0384926 -0.0434860 -0.1483244 -1.7762572 0.0195207 0.0125537 -0.0252354 -3.3235116 13 Sr 2.6589845 -0.1616788 -0.0788643 -0.2498419 2.6135830 -0.0048138 0.0549289 0.0723765 2.5257344 14 Sr 2.6589845 0.1616788 -0.0788643 0.2498419 2.6135830 0.0048138 0.0549289 -0.0723765 2.5257344 15 Sr 2.6589845 0.1616788 -0.0788643 0.2498419 2.6135830 0.0048138 0.0549289 -0.0723765 2.5257344 16 Sr 2.6589845 -0.1616788 -0.0788643 -0.2498419 2.6135830 -0.0048138 0.0549289 0.0723765 2.5257344 17 Lu 4.2304121 -0.4051556 0.6816197 0.3752014 4.3247373 0.0631408 -0.5503997 0.2539929 4.2480145 18 Lu 4.2304121 0.4051556 0.6816197 -0.3752014 4.3247373 -0.0631408 -0.5503997 -0.2539929 4.2480145 19 Bi 4.6729837 0.2407015 -0.4422237 -0.2279743 4.7558774 0.0742044 0.3208059 0.1128524 4.7267460 20 Bi 4.6729837 -0.2407015 -0.4422237 0.2279743 4.7558774 -0.0742044 0.3208059 -0.1128524 4.7267460 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 319, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.589 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.780 ( 0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 8.227 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 8.610 ( 0.000 0.000 0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 9.032 ( 0.000 0.000 0.000) 0.000 9.405 ( 0.000 0.000 0.000) 0.000 9.484 ( 0.000 0.000 0.000) 0.000 10.097 ( 0.000 0.000 0.000) 0.000 10.169 ( 0.000 0.000 0.000) 0.000 10.583 ( 0.000 0.000 0.000) 0.000 10.902 ( 0.000 0.000 0.000) 0.000 11.026 ( 0.000 0.000 0.000) 0.000 11.939 ( 0.000 0.000 0.000) 0.000 11.988 ( 0.000 0.000 0.000) 0.000 15.977 ( 0.000 0.000 0.000) 0.000 16.041 ( 0.000 0.000 0.000) 0.000 16.067 ( 0.000 0.000 0.000) 0.000 16.110 ( 0.000 0.000 0.000) 0.000 16.122 ( 0.000 0.000 0.000) 0.000 16.145 ( 0.000 0.000 0.000) 0.000 16.276 ( 0.000 0.000 0.000) 0.000 16.331 ( 0.000 0.000 0.000) 0.000 16.514 ( 0.000 0.000 0.000) 0.000 19.172 ( 0.000 0.000 0.000) 0.000 20.105 ( 0.000 0.000 0.000) 0.000 20.177 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 23.897 0.000 15.680) 28.582 0.649 ( 24.494 0.000 17.763) 30.257 1.128 ( 41.433 0.000 32.621) 52.733 2.322 ( 6.313 0.000 -3.859) 7.399 2.669 ( 4.814 0.000 -6.777) 8.312 2.853 ( -3.776 0.000 2.537) 4.549 2.885 ( -1.906 0.000 -1.531) 2.445 3.198 ( -12.300 0.000 -5.091) 13.312 3.261 ( 3.972 0.000 -3.059) 5.013 3.300 ( -5.671 0.000 12.058) 13.325 3.331 ( 1.043 0.000 3.755) 3.897 3.405 ( -12.033 0.000 8.232) 14.579 3.577 ( -4.027 0.000 -0.696) 4.087 3.737 ( -11.215 0.000 18.702) 21.807 4.073 ( 1.146 0.000 -5.116) 5.242 4.106 ( -6.352 0.000 -7.341) 9.708 4.229 ( -2.362 0.000 -6.087) 6.529 4.280 ( 4.797 0.000 4.540) 6.605 4.464 ( 4.607 0.000 -8.446) 9.621 4.698 ( 9.165 0.000 0.055) 9.165 5.094 ( 1.351 0.000 -14.232) 14.296 5.184 ( -17.400 0.000 12.934) 21.680 5.271 ( 2.196 0.000 -1.028) 2.424 5.411 ( 1.424 0.000 8.197) 8.319 5.634 ( -1.338 0.000 -4.571) 4.763 5.640 ( 8.894 0.000 2.081) 9.134 5.866 ( 3.749 0.000 4.128) 5.576 6.259 ( -0.769 0.000 5.238) 5.294 6.388 ( -8.760 0.000 -12.642) 15.380 6.699 ( -6.944 0.000 7.536) 10.247 6.715 ( -5.546 0.000 -1.433) 5.728 7.261 ( 10.876 0.000 -2.556) 11.172 7.641 ( 1.092 0.000 0.935) 1.438 7.669 ( 2.063 0.000 0.680) 2.172 8.211 ( -0.932 0.000 -1.076) 1.424 8.495 ( -0.178 0.000 -11.172) 11.173 8.680 ( 6.884 0.000 1.531) 7.053 8.715 ( -3.580 0.000 10.253) 10.860 9.099 ( -3.664 0.000 9.464) 10.149 9.461 ( -1.242 0.000 -1.725) 2.126 10.071 ( -3.508 0.000 1.113) 3.680 10.165 ( -4.775 0.000 5.338) 7.162 10.503 ( -6.183 0.000 -3.048) 6.893 10.877 ( -4.060 0.000 0.408) 4.081 11.119 ( 10.003 0.000 1.351) 10.094 11.943 ( 2.704 0.000 -2.556) 3.721 12.004 ( 20.929 0.000 -24.634) 32.324 12.027 ( 5.125 0.000 -2.176) 5.568 15.805 ( -14.502 0.000 1.717) 14.604 15.863 ( -14.443 0.000 -1.074) 14.483 15.974 ( -9.203 0.000 -3.125) 9.719 16.006 ( -2.756 0.000 -4.814) 5.547 16.260 ( 9.413 0.000 0.260) 9.416 16.324 ( 0.061 0.000 4.092) 4.093 16.332 ( 9.007 0.000 0.802) 9.043 16.464 ( -0.717 0.000 11.622) 11.644 19.149 ( 4.154 0.000 -5.104) 6.581 19.196 ( 3.065 0.000 -0.901) 3.195 20.108 ( -0.884 0.000 1.600) 1.828 20.165 ( -2.085 0.000 1.066) 2.342 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 21.649 0.000 13.518) 25.523 1.255 ( 22.001 0.000 16.268) 27.362 2.165 ( 34.793 0.000 27.085) 44.092 2.330 ( 3.437 0.000 -11.095) 11.616 2.629 ( 5.957 0.000 -12.663) 13.994 2.821 ( -5.073 0.000 -2.228) 5.541 2.868 ( -0.139 0.000 4.658) 4.660 2.921 ( -11.314 0.000 1.292) 11.387 3.146 ( -3.350 0.000 -10.379) 10.906 3.189 ( -17.085 0.000 7.902) 18.824 3.470 ( -4.001 0.000 18.693) 19.116 3.498 ( -4.105 0.000 0.782) 4.179 3.542 ( 4.952 0.000 10.804) 11.885 3.644 ( -15.430 0.000 2.241) 15.592 3.968 ( -1.613 0.000 3.897) 4.217 3.993 ( -1.809 0.000 -8.194) 8.391 4.157 ( 5.043 0.000 -7.301) 8.873 4.402 ( 8.625 0.000 -4.243) 9.612 4.499 ( 3.971 0.000 0.616) 4.018 4.810 ( 8.407 0.000 -6.345) 10.532 4.830 ( -11.111 0.000 -6.625) 12.936 5.142 ( -3.485 0.000 1.501) 3.794 5.311 ( 2.386 0.000 0.646) 2.472 5.509 ( -7.097 0.000 -4.247) 8.271 5.517 ( -2.423 0.000 11.316) 11.573 5.848 ( 5.274 0.000 4.337) 6.828 5.914 ( -1.372 0.000 -0.704) 1.542 6.109 ( -7.882 0.000 -7.574) 10.931 6.269 ( -2.930 0.000 1.506) 3.294 6.633 ( -1.151 0.000 1.782) 2.121 6.638 ( -5.221 0.000 -0.756) 5.275 7.320 ( 1.947 0.000 -4.655) 5.046 7.685 ( 1.788 0.000 1.565) 2.377 7.778 ( 9.087 0.000 -0.857) 9.128 8.184 ( -0.465 0.000 -0.269) 0.537 8.384 ( 2.999 0.000 -9.528) 9.989 8.770 ( -3.067 0.000 8.808) 9.327 8.860 ( 10.508 0.000 1.270) 10.585 9.161 ( 0.399 0.000 5.127) 5.143 9.430 ( 1.170 0.000 -0.972) 1.521 10.010 ( -5.053 0.000 1.180) 5.189 10.086 ( -11.402 0.000 2.346) 11.640 10.369 ( -5.660 0.000 0.778) 5.713 10.772 ( -6.874 0.000 -1.863) 7.122 11.366 ( 13.833 0.000 4.010) 14.403 11.967 ( 5.512 0.000 -5.673) 7.910 12.083 ( 11.081 0.000 -8.580) 14.014 12.093 ( 5.280 0.000 -2.003) 5.647 15.583 ( -13.239 0.000 1.563) 13.331 15.601 ( -14.108 0.000 -1.317) 14.169 15.767 ( -9.637 0.000 -3.200) 10.155 15.822 ( -7.047 0.000 -9.887) 12.141 16.402 ( 6.599 0.000 0.307) 6.606 16.406 ( 0.920 0.000 9.411) 9.456 16.503 ( 8.160 0.000 0.980) 8.218 16.579 ( 0.744 0.000 7.096) 7.135 19.160 ( 4.334 0.000 -5.268) 6.822 19.234 ( 3.288 0.000 -2.894) 4.381 20.110 ( -1.756 0.000 2.345) 2.930 20.138 ( -2.996 0.000 2.094) 3.655 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 16.416 0.000 10.211) 19.332 1.786 ( 18.213 0.000 14.372) 23.200 2.213 ( 1.401 0.000 -10.716) 10.807 2.465 ( 1.142 0.000 -9.446) 9.515 2.604 ( -13.049 0.000 -1.444) 13.129 2.856 ( -0.228 0.000 -6.230) 6.235 2.916 ( -0.128 0.000 3.926) 3.928 2.933 ( 3.795 0.000 -0.620) 3.845 2.998 ( -12.733 0.000 5.628) 13.922 3.083 ( 7.755 0.000 13.242) 15.345 3.210 ( -19.680 0.000 -5.629) 20.470 3.528 ( 9.239 0.000 6.043) 11.040 3.542 ( -7.224 0.000 2.994) 7.820 3.923 ( 0.022 0.000 4.711) 4.711 3.924 ( 14.090 0.000 14.772) 20.414 4.055 ( 0.723 0.000 8.132) 8.165 4.195 ( 8.418 0.000 -7.005) 10.952 4.496 ( 11.554 0.000 -8.212) 14.174 4.551 ( -0.399 0.000 2.052) 2.090 4.607 ( -6.782 0.000 -4.178) 7.966 4.854 ( 6.006 0.000 -6.418) 8.790 5.052 ( -5.082 0.000 -4.895) 7.056 5.309 ( -9.091 0.000 -4.203) 10.016 5.360 ( 1.695 0.000 1.418) 2.209 5.547 ( -10.768 0.000 6.346) 12.499 5.793 ( -7.784 0.000 -6.084) 9.880 5.847 ( -7.114 0.000 7.974) 10.686 5.960 ( -3.921 0.000 -0.959) 4.036 6.228 ( -2.292 0.000 -2.955) 3.740 6.494 ( -6.164 0.000 -6.562) 9.003 6.768 ( 10.193 0.000 5.649) 11.653 7.286 ( -0.490 0.000 -1.433) 1.514 7.706 ( -0.365 0.000 -1.659) 1.699 7.882 ( 4.706 0.000 -2.558) 5.356 8.229 ( 3.795 0.000 4.386) 5.800 8.396 ( 9.687 0.000 -7.239) 12.093 8.833 ( -0.963 0.000 7.780) 7.840 9.000 ( 5.695 0.000 -2.085) 6.065 9.227 ( 0.731 0.000 3.814) 3.883 9.532 ( 8.312 0.000 2.661) 8.727 9.860 ( -11.867 0.000 -2.649) 12.159 9.928 ( -5.317 0.000 0.089) 5.318 10.323 ( -5.314 0.000 5.303) 7.507 10.611 ( -8.102 0.000 -2.833) 8.583 11.656 ( 13.245 0.000 4.663) 14.042 11.984 ( 5.073 0.000 -6.822) 8.502 12.157 ( 3.995 0.000 -0.835) 4.082 12.158 ( 5.564 0.000 -3.365) 6.502 15.363 ( -11.310 0.000 -1.399) 11.396 15.401 ( -9.825 0.000 1.325) 9.914 15.579 ( -6.513 0.000 -9.523) 11.537 15.585 ( -7.320 0.000 -2.425) 7.711 16.493 ( 3.566 0.000 0.411) 3.589 16.546 ( 1.605 0.000 8.592) 8.740 16.640 ( 5.369 0.000 2.928) 6.116 16.659 ( 0.418 0.000 4.619) 4.638 19.168 ( 3.617 0.000 -4.814) 6.022 19.225 ( 1.256 0.000 -5.053) 5.207 20.103 ( -2.158 0.000 2.091) 3.005 20.119 ( -2.441 0.000 2.524) 3.512 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 7.452 0.000 6.511) 9.896 2.130 ( 6.098 0.000 -1.862) 6.376 2.261 ( 12.134 0.000 7.904) 14.481 2.380 ( 0.768 0.000 -6.346) 6.392 2.389 ( -11.141 0.000 1.292) 11.215 2.662 ( -12.263 0.000 -9.243) 15.356 2.806 ( -8.452 0.000 -0.046) 8.452 2.812 ( 0.190 0.000 -2.782) 2.788 3.024 ( -1.598 0.000 -2.660) 3.103 3.030 ( 2.585 0.000 3.560) 4.400 3.190 ( -5.542 0.000 6.631) 8.642 3.342 ( -8.476 0.000 -8.226) 11.812 3.952 ( 17.572 0.000 5.383) 18.378 4.047 ( -0.508 0.000 11.381) 11.392 4.148 ( 0.761 0.000 10.814) 10.841 4.257 ( 7.801 0.000 -6.518) 10.166 4.402 ( 15.286 0.000 14.612) 21.147 4.523 ( 4.164 0.000 -1.396) 4.392 4.527 ( -2.041 0.000 0.760) 2.178 4.632 ( 13.499 0.000 -7.497) 15.441 4.851 ( -8.968 0.000 -7.001) 11.377 4.862 ( 3.540 0.000 -4.716) 5.896 5.134 ( -6.979 0.000 -1.316) 7.102 5.258 ( -19.390 0.000 1.634) 19.458 5.453 ( -0.481 0.000 5.322) 5.343 5.514 ( -12.452 0.000 -10.716) 16.428 5.905 ( 1.971 0.000 4.863) 5.247 5.929 ( -0.583 0.000 1.474) 1.585 6.111 ( -6.113 0.000 -2.672) 6.671 6.298 ( -5.980 0.000 -6.864) 9.104 7.018 ( 8.876 0.000 5.352) 10.365 7.278 ( -0.003 0.000 0.351) 0.351 7.636 ( -2.472 0.000 -4.324) 4.981 7.901 ( 1.228 0.000 -1.552) 1.979 8.405 ( 7.167 0.000 6.586) 9.733 8.487 ( 7.687 0.000 -4.587) 8.952 8.925 ( 2.104 0.000 5.226) 5.634 9.053 ( 4.515 0.000 -1.265) 4.689 9.268 ( -0.536 0.000 2.436) 2.494 9.483 ( -11.636 0.000 -5.205) 12.747 9.842 ( -3.688 0.000 -0.837) 3.782 9.864 ( 9.289 0.000 3.294) 9.855 10.290 ( -5.184 0.000 4.120) 6.622 10.452 ( -6.028 0.000 -2.095) 6.381 11.912 ( 10.038 0.000 3.922) 10.777 11.981 ( 2.889 0.000 -4.712) 5.528 12.177 ( 0.105 0.000 -2.007) 2.010 12.204 ( 2.023 0.000 -0.079) 2.024 15.194 ( -6.314 0.000 -0.925) 6.381 15.284 ( -5.172 0.000 0.748) 5.225 15.398 ( -3.434 0.000 -5.611) 6.579 15.466 ( -3.827 0.000 -1.298) 4.041 16.539 ( 1.439 0.000 0.283) 1.467 16.642 ( 1.228 0.000 3.266) 3.489 16.706 ( 0.151 0.000 2.404) 2.409 16.757 ( 2.378 0.000 4.685) 5.254 19.169 ( 2.003 0.000 -2.958) 3.573 19.170 ( -0.213 0.000 -4.485) 4.491 20.090 ( -1.536 0.000 1.187) 1.941 20.114 ( -1.228 0.000 1.722) 2.115 ======================= Grid point 5 (6/160) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 0.000 0.000 0.000) 0.000 2.170 ( -0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 -0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.935 ( -0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 -0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 -0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.539 ( -0.000 0.000 -0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.721 ( -0.000 0.000 0.000) 0.000 4.936 ( -0.000 0.000 -0.000) 0.000 4.952 ( -0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 -0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.237 ( -0.000 0.000 -0.000) 0.000 5.496 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.004 ( -0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.573 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 0.000) 0.000 8.987 ( -0.000 0.000 0.000) 0.000 9.129 ( -0.000 0.000 -0.000) 0.000 9.273 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.802 ( 0.000 0.000 0.000) 0.000 9.989 ( -0.000 0.000 0.000) 0.000 10.261 ( 0.000 0.000 0.000) 0.000 10.383 ( 0.000 0.000 0.000) 0.000 11.976 ( 0.000 0.000 0.000) 0.000 12.060 ( -0.000 0.000 -0.000) 0.000 12.130 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 0.000) 0.000 15.133 ( 0.000 0.000 0.000) 0.000 15.244 ( 0.000 0.000 0.000) 0.000 15.335 ( 0.000 0.000 0.000) 0.000 15.425 ( 0.000 0.000 0.000) 0.000 16.552 ( 0.000 0.000 0.000) 0.000 16.671 ( 0.000 0.000 0.000) 0.000 16.722 ( 0.000 0.000 0.000) 0.000 16.810 ( 0.000 0.000 0.000) 0.000 19.137 ( 0.000 0.000 0.000) 0.000 19.168 ( 0.000 0.000 -0.000) 0.000 20.083 ( 0.000 0.000 0.000) 0.000 20.114 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.000 30.530 0.000) 30.530 0.690 ( 0.000 31.845 0.000) 31.845 1.127 ( 0.000 51.673 0.000) 51.673 2.386 ( 0.000 9.423 0.000) 9.423 2.681 ( 0.000 3.460 0.000) 3.460 2.840 ( 0.000 -3.302 0.000) 3.302 2.935 ( 0.000 -4.558 0.000) 4.558 3.146 ( 0.000 -5.058 0.000) 5.058 3.200 ( 0.000 -5.480 0.000) 5.480 3.331 ( 0.000 1.093 0.000) 1.093 3.380 ( 0.000 -0.761 0.000) 0.761 3.459 ( 0.000 -2.024 0.000) 2.024 3.467 ( 0.000 -6.557 0.000) 6.557 3.573 ( 0.000 -1.733 0.000) 1.733 4.019 ( 0.000 -6.726 0.000) 6.726 4.148 ( 0.000 5.946 0.000) 5.946 4.217 ( 0.000 -10.995 0.000) 10.995 4.258 ( 0.000 -2.668 0.000) 2.668 4.686 ( 0.000 10.514 0.000) 10.514 4.693 ( 0.000 5.842 0.000) 5.842 4.970 ( 0.000 -5.692 0.000) 5.692 5.105 ( 0.000 -1.387 0.000) 1.387 5.298 ( 0.000 -3.559 0.000) 3.559 5.474 ( 0.000 13.386 0.000) 13.386 5.475 ( 0.000 -0.433 0.000) 0.433 5.685 ( 0.000 -1.033 0.000) 1.033 5.745 ( 0.000 -0.339 0.000) 0.339 6.286 ( 0.000 -0.621 0.000) 0.621 6.601 ( 0.000 -1.883 0.000) 1.883 6.678 ( 0.000 -1.371 0.000) 1.371 6.758 ( 0.000 11.399 0.000) 11.399 6.905 ( 0.000 10.288 0.000) 10.288 7.642 ( 0.000 -1.434 0.000) 1.434 8.145 ( 0.000 -7.026 0.000) 7.026 8.441 ( 0.000 -1.706 0.000) 1.706 8.498 ( 0.000 -6.373 0.000) 6.373 8.736 ( 0.000 4.548 0.000) 4.548 9.102 ( 0.000 6.292 0.000) 6.292 9.333 ( 0.000 -2.738 0.000) 2.738 9.600 ( 0.000 6.469 0.000) 6.469 9.949 ( 0.000 -1.316 0.000) 1.316 10.071 ( 0.000 -1.477 0.000) 1.477 10.662 ( 0.000 6.839 0.000) 6.839 10.785 ( 0.000 0.645 0.000) 0.645 10.857 ( 0.000 -4.137 0.000) 4.137 11.011 ( 0.000 -0.928 0.000) 0.928 11.952 ( 0.000 1.168 0.000) 1.168 12.216 ( 0.000 -1.657 0.000) 1.657 15.940 ( 0.000 -6.528 0.000) 6.528 15.960 ( 0.000 -11.519 0.000) 11.519 16.023 ( 0.000 -3.564 0.000) 3.564 16.052 ( 0.000 0.013 0.000) 0.013 16.074 ( 0.000 0.463 0.000) 0.463 16.273 ( 0.000 -0.548 0.000) 0.548 16.485 ( 0.000 8.967 0.000) 8.967 16.611 ( 0.000 6.722 0.000) 6.722 19.133 ( 0.000 -0.711 0.000) 0.711 19.176 ( 0.000 0.346 0.000) 0.346 20.121 ( 0.000 1.301 0.000) 1.301 20.161 ( 0.000 -1.437 0.000) 1.437 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.10 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 12.738 20.728 10.314) 26.425 0.913 ( 13.217 20.554 16.701) 29.599 1.615 ( 30.668 36.379 19.460) 51.407 2.404 ( 4.748 7.464 -4.652) 9.995 2.686 ( 4.621 0.056 -8.938) 10.063 2.825 ( -2.465 -2.181 1.486) 3.611 2.885 ( -3.017 -2.543 -1.776) 4.327 3.136 ( -6.604 -6.765 2.013) 9.666 3.226 ( -0.120 -4.523 6.540) 7.952 3.254 ( -2.509 -1.984 -1.663) 3.605 3.289 ( -6.611 0.533 1.013) 6.709 3.430 ( -7.225 1.254 8.674) 11.358 3.508 ( -7.105 -5.553 2.347) 9.318 3.608 ( -3.374 -6.099 12.034) 13.907 3.931 ( -2.040 -8.876 -3.233) 9.665 4.102 ( -6.094 -0.273 -1.882) 6.384 4.207 ( 1.118 -1.150 -6.120) 6.327 4.344 ( 6.845 0.278 2.792) 7.397 4.603 ( 1.525 9.770 -7.144) 12.199 4.796 ( 7.630 7.073 -2.271) 10.649 4.986 ( -1.938 -7.650 -4.778) 9.226 5.065 ( -2.486 -4.287 -2.558) 5.576 5.269 ( -0.508 -1.003 1.850) 2.165 5.545 ( 0.358 5.596 2.967) 6.345 5.565 ( 4.760 -3.049 4.780) 7.403 5.644 ( -0.713 0.724 -1.731) 2.007 5.836 ( 5.654 0.302 6.528) 8.642 6.254 ( -7.117 -1.688 0.540) 7.334 6.324 ( -7.332 -2.729 -4.253) 8.905 6.780 ( -0.754 11.442 3.284) 11.928 6.864 ( -2.637 11.269 -0.743) 11.598 7.089 ( 20.973 -5.753 2.754) 21.921 7.569 ( -5.896 -0.355 -1.837) 6.185 8.142 ( 0.097 -5.992 -0.615) 6.025 8.312 ( -10.285 13.920 -5.925) 18.294 8.447 ( -0.857 -1.493 -10.388) 10.529 8.725 ( 1.782 5.307 -2.474) 6.121 8.840 ( -7.529 12.500 0.826) 14.615 9.168 ( -5.025 6.505 9.362) 12.458 9.466 ( -1.026 0.511 -1.787) 2.123 10.027 ( -4.924 -3.123 1.179) 5.949 10.119 ( -1.493 -4.081 6.087) 7.479 10.516 ( -7.463 1.057 -5.375) 9.257 10.839 ( -4.645 -3.546 1.860) 6.132 11.116 ( 11.872 -0.071 1.728) 11.998 11.479 ( 33.278 -18.192 4.539) 38.197 11.959 ( 2.889 1.396 -2.694) 4.190 12.178 ( 1.549 0.527 -6.323) 6.531 15.776 ( -10.666 -1.135 -1.980) 10.907 15.878 ( -6.294 -4.048 -8.341) 11.207 16.042 ( -1.402 -0.151 -0.506) 1.498 16.071 ( 3.301 -3.910 -1.818) 5.430 16.129 ( 1.111 -1.850 -3.023) 3.715 16.262 ( -4.947 2.895 1.530) 5.932 16.399 ( -4.147 2.987 7.909) 9.416 16.563 ( -0.213 7.462 4.957) 8.961 19.165 ( 3.929 0.371 -2.976) 4.943 19.198 ( 3.146 0.042 -1.283) 3.398 20.122 ( -1.046 1.076 1.532) 2.145 20.152 ( -1.791 -1.086 1.193) 2.410 ======================= Grid point 13 (9/160) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 19.998 8.367 12.821) 25.186 1.372 ( 15.698 10.986 15.723) 24.786 2.373 ( 2.874 3.701 -10.720) 11.699 2.410 ( 27.226 19.934 18.588) 38.525 2.637 ( 5.656 0.277 -10.378) 11.822 2.779 ( -7.229 -5.640 1.192) 9.246 2.797 ( -2.805 -2.023 -1.775) 3.887 2.990 ( -7.620 2.045 2.164) 8.181 3.120 ( -4.052 -1.148 -5.921) 7.266 3.188 ( -11.886 -0.946 6.572) 13.615 3.418 ( -2.518 -7.032 2.706) 7.945 3.436 ( 3.804 -5.388 12.946) 14.529 3.493 ( -4.970 -0.028 12.038) 13.024 3.584 ( -10.457 -3.542 5.087) 12.156 3.834 ( -3.444 -8.405 -3.535) 9.747 3.979 ( -4.036 -2.892 -1.551) 5.201 4.167 ( 6.781 1.334 -7.827) 10.441 4.508 ( 5.595 5.116 3.600) 8.393 4.580 ( 3.313 8.398 -4.336) 10.015 4.790 ( -9.070 -2.144 -5.406) 10.775 4.860 ( 7.138 2.514 -8.253) 11.197 4.999 ( -4.503 -8.643 0.436) 9.755 5.339 ( 3.440 0.253 3.087) 4.629 5.480 ( -4.260 1.093 -2.533) 5.075 5.639 ( -3.215 2.628 4.137) 5.861 5.716 ( 1.417 -4.839 5.933) 7.786 5.965 ( 1.749 0.271 -2.834) 3.342 6.022 ( -11.357 -3.566 -3.320) 12.358 6.319 ( 4.716 2.707 2.588) 6.022 6.743 ( -5.779 13.548 0.161) 14.730 6.853 ( 0.577 13.456 1.668) 13.571 7.310 ( 3.903 -0.989 -4.691) 6.182 7.533 ( 5.009 -4.676 2.618) 7.336 8.086 ( -3.619 9.861 -6.436) 12.319 8.165 ( 0.804 4.015 0.977) 4.210 8.355 ( 4.379 -1.981 -9.010) 10.211 8.780 ( -1.352 1.242 6.885) 7.126 8.889 ( 6.715 2.934 1.412) 7.463 9.215 ( -0.268 5.083 5.003) 7.137 9.445 ( 1.658 1.194 -0.910) 2.237 9.949 ( -5.939 -4.485 1.508) 7.593 10.083 ( -10.392 -1.231 3.016) 10.891 10.346 ( -5.038 -2.060 -1.346) 5.607 10.737 ( -7.296 -3.344 -1.198) 8.115 11.381 ( 13.934 1.511 4.238) 14.642 11.883 ( 14.064 -9.400 -1.824) 17.014 12.000 ( 7.569 0.775 -3.917) 8.558 12.146 ( 2.881 0.213 -5.221) 5.967 15.581 ( -9.174 1.031 -1.543) 9.360 15.643 ( -8.922 0.737 -6.953) 11.335 15.866 ( -14.675 9.560 -0.086) 17.514 15.907 ( -8.300 7.109 -6.683) 12.810 16.227 ( 7.414 -10.010 1.223) 12.516 16.328 ( 5.816 -8.988 2.545) 11.005 16.509 ( 1.408 -0.121 8.025) 8.149 16.650 ( 2.001 4.580 5.342) 7.316 19.181 ( 3.097 1.603 -4.153) 5.422 19.236 ( 3.976 -0.171 -3.422) 5.249 20.119 ( -1.897 0.427 2.144) 2.894 20.135 ( -2.441 -0.003 2.263) 3.328 ======================= Grid point 14 (10/160) ======================= q-point: ( 0.30 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 15.506 6.430 9.498) 19.287 1.812 ( 15.120 2.752 14.418) 21.073 2.242 ( 0.878 2.231 -10.271) 10.547 2.512 ( 0.505 3.759 -9.958) 10.656 2.585 ( -11.854 -2.298 0.300) 12.079 2.798 ( -1.066 -4.348 -1.180) 4.630 2.861 ( 4.404 -2.835 -4.652) 7.005 2.915 ( -5.162 -2.278 2.465) 6.157 3.015 ( -6.871 1.446 -0.067) 7.021 3.158 ( -11.121 -0.137 2.635) 11.430 3.248 ( -8.482 7.399 3.839) 11.892 3.498 ( 9.852 -0.910 8.340) 12.940 3.581 ( -2.795 1.823 1.699) 3.745 3.736 ( 9.854 -12.724 10.596) 19.269 3.863 ( 5.662 -7.344 8.018) 12.259 3.958 ( -0.682 -4.294 7.094) 8.320 4.238 ( 9.001 2.208 -5.531) 10.793 4.533 ( -7.044 -1.211 1.689) 7.344 4.575 ( -1.532 0.822 -2.320) 2.899 4.671 ( 6.422 8.742 -5.179) 12.020 4.868 ( 2.113 -5.970 -5.252) 8.228 4.902 ( -2.304 -2.125 -5.991) 6.762 5.380 ( -4.108 4.763 0.088) 6.290 5.422 ( 1.522 2.468 -0.693) 2.982 5.557 ( -12.260 -0.887 3.643) 12.820 5.750 ( -3.312 0.932 0.514) 3.479 5.804 ( -5.657 -7.103 -2.981) 9.557 5.903 ( -4.781 1.204 1.902) 5.284 6.447 ( 3.722 11.631 -0.929) 12.247 6.606 ( -6.649 12.225 -4.893) 14.751 6.926 ( 5.079 13.038 4.606) 14.731 7.306 ( 1.148 2.184 0.787) 2.590 7.643 ( 3.266 -3.944 -0.187) 5.125 7.971 ( -0.614 5.332 -6.731) 8.609 8.234 ( 3.296 0.852 4.229) 5.429 8.388 ( 9.857 -0.401 -6.582) 11.859 8.837 ( -1.599 0.587 7.505) 7.696 8.996 ( 5.112 -0.178 -2.206) 5.571 9.268 ( 0.193 3.856 3.537) 5.236 9.551 ( 8.513 1.583 2.904) 9.133 9.815 ( -11.107 -3.667 -2.402) 11.941 9.912 ( -6.159 -1.743 -0.480) 6.418 10.303 ( -4.523 -1.903 4.944) 6.966 10.576 ( -8.209 -3.190 -2.507) 9.157 11.669 ( 12.741 1.152 4.636) 13.607 11.972 ( 5.273 -1.399 -5.854) 8.002 12.122 ( 7.714 -1.951 -1.866) 8.172 12.149 ( 2.561 -1.333 -2.374) 3.738 15.430 ( -7.680 5.061 -3.134) 9.717 15.436 ( -6.360 2.774 -1.403) 7.079 15.641 ( -10.012 6.483 -1.805) 12.063 15.672 ( -8.827 8.215 -6.098) 13.512 16.368 ( 6.852 -9.235 1.125) 11.554 16.461 ( 4.726 -7.645 3.972) 9.826 16.607 ( 0.109 -0.818 6.121) 6.176 16.738 ( 1.053 3.097 4.395) 5.479 19.176 ( 2.280 1.056 -4.143) 4.845 19.238 ( 2.072 0.671 -4.869) 5.334 20.111 ( -1.892 0.506 1.955) 2.767 20.124 ( -2.181 0.537 2.514) 3.371 ======================= Grid point 15 (11/160) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 6.697 3.874 5.779) 9.656 2.163 ( 5.547 2.779 0.642) 6.237 2.250 ( 10.655 -0.532 6.418) 12.450 2.394 ( -7.542 0.889 -1.421) 7.726 2.436 ( -1.792 3.695 -2.647) 4.885 2.669 ( -9.016 -0.460 -5.920) 10.796 2.771 ( -10.161 -1.931 -1.140) 10.405 2.824 ( 0.573 0.527 -4.061) 4.135 2.938 ( -4.335 -7.337 -3.616) 9.257 2.992 ( 6.527 -1.499 -0.272) 6.702 3.233 ( -6.500 2.703 5.436) 8.894 3.366 ( -8.732 0.903 -5.445) 10.330 3.919 ( 11.894 -5.096 5.400) 14.022 3.975 ( 3.880 -5.370 10.082) 12.063 4.034 ( 5.922 -11.132 4.164) 13.279 4.229 ( 10.468 -3.636 14.908) 18.576 4.319 ( 7.717 3.714 -3.985) 9.446 4.391 ( -6.542 -8.233 -0.625) 10.535 4.554 ( -2.346 -4.120 -0.111) 4.742 4.689 ( -7.601 -11.273 -3.854) 14.132 4.795 ( 9.602 10.163 -1.766) 14.093 4.877 ( 6.939 5.069 -8.304) 11.950 5.226 ( -14.749 0.779 -0.561) 14.780 5.323 ( -8.106 6.000 -0.040) 10.085 5.492 ( -3.810 4.858 3.249) 6.976 5.605 ( -3.845 7.474 -6.307) 10.509 5.756 ( 0.903 -5.737 -0.490) 5.828 5.929 ( -0.061 -0.016 5.128) 5.128 6.398 ( -4.022 13.185 -3.899) 14.326 6.434 ( -5.254 16.575 -3.865) 17.812 7.113 ( 7.235 8.559 5.762) 12.602 7.346 ( 0.840 6.413 0.497) 6.487 7.642 ( -0.899 0.256 -1.428) 1.706 7.907 ( 0.739 0.402 -4.143) 4.228 8.375 ( 5.416 -2.263 5.679) 8.167 8.483 ( 7.453 -0.696 -4.570) 8.770 8.910 ( 0.887 -1.094 5.214) 5.400 9.042 ( 4.109 -0.947 -1.532) 4.487 9.298 ( -0.712 2.791 2.069) 3.547 9.494 ( -11.773 0.813 -4.780) 12.732 9.817 ( 4.714 -2.697 1.023) 5.526 9.847 ( 2.096 -0.843 1.550) 2.740 10.278 ( -4.813 -1.249 4.063) 6.421 10.422 ( -5.843 -2.789 -1.890) 6.745 11.908 ( 8.185 -0.376 3.490) 8.906 11.978 ( 3.799 -0.273 -4.314) 5.755 12.159 ( 0.162 -1.498 -0.757) 1.686 12.190 ( 2.893 -1.203 -1.476) 3.464 15.288 ( -4.821 7.960 -1.410) 9.412 15.359 ( -1.981 5.512 -0.094) 5.858 15.471 ( -5.826 7.261 -3.869) 10.081 15.503 ( -4.920 4.627 -1.576) 6.936 16.473 ( 4.215 -6.261 0.150) 7.549 16.569 ( 2.544 -6.517 2.751) 7.517 16.669 ( 0.341 -1.411 3.837) 4.102 16.785 ( -0.682 0.653 2.985) 3.131 19.161 ( 1.166 0.590 -3.237) 3.490 19.204 ( 0.394 1.738 -3.331) 3.777 20.100 ( -1.338 0.861 1.035) 1.898 20.122 ( -1.062 0.678 1.723) 2.134 ======================= Grid point 16 (12/160) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.000 3.228 0.000) 3.228 2.202 ( -0.000 3.244 0.000) 3.244 2.301 ( 0.000 0.961 -0.000) 0.961 2.403 ( -0.000 3.938 0.000) 3.938 2.437 ( 0.000 -0.050 -0.000) 0.050 2.521 ( 0.000 3.336 0.000) 3.336 2.674 ( 0.000 -3.380 0.000) 3.380 2.780 ( 0.000 -8.188 0.000) 8.188 2.917 ( -0.000 -1.409 0.000) 1.409 3.083 ( -0.000 -0.477 0.000) 0.477 3.168 ( 0.000 1.145 -0.000) 1.145 3.237 ( -0.000 1.852 0.000) 1.852 4.030 ( 0.000 -4.547 -0.000) 4.547 4.053 ( -0.000 -5.909 0.000) 5.909 4.196 ( 0.000 -11.125 0.000) 11.125 4.351 ( 0.000 -5.298 0.000) 5.298 4.367 ( -0.000 -11.226 -0.000) 11.226 4.425 ( -0.000 -4.246 -0.000) 4.246 4.459 ( -0.000 -1.593 0.000) 1.593 4.578 ( 0.000 -8.293 -0.000) 8.293 4.931 ( 0.000 2.082 0.000) 2.082 4.982 ( -0.000 5.111 0.000) 5.111 5.066 ( -0.000 6.029 -0.000) 6.029 5.138 ( 0.000 5.155 0.000) 5.155 5.420 ( 0.000 13.042 0.000) 13.042 5.584 ( 0.000 7.401 -0.000) 7.401 5.768 ( 0.000 -4.310 0.000) 4.310 5.966 ( 0.000 -0.719 0.000) 0.719 6.317 ( 0.000 10.718 0.000) 10.718 6.365 ( 0.000 20.884 0.000) 20.884 7.246 ( 0.000 9.657 0.000) 9.657 7.325 ( -0.000 4.277 -0.000) 4.277 7.622 ( 0.000 4.250 0.000) 4.250 7.890 ( -0.000 -1.568 0.000) 1.568 8.494 ( 0.000 -2.970 0.000) 2.970 8.501 ( 0.000 -2.460 -0.000) 2.460 8.959 ( -0.000 -2.245 0.000) 2.245 9.093 ( -0.000 -2.764 -0.000) 2.764 9.306 ( 0.000 2.174 0.000) 2.174 9.313 ( 0.000 3.211 -0.000) 3.211 9.802 ( 0.000 0.097 0.000) 0.097 9.953 ( -0.000 -3.006 0.000) 3.006 10.253 ( 0.000 -0.879 -0.000) 0.879 10.357 ( 0.000 -2.480 0.000) 2.480 11.958 ( 0.000 -1.416 0.000) 1.416 12.051 ( 0.000 -0.865 0.000) 0.865 12.134 ( 0.000 0.219 0.000) 0.219 12.204 ( 0.000 -1.503 0.000) 1.503 15.237 ( 0.000 9.193 0.000) 9.193 15.364 ( 0.000 10.154 0.000) 10.154 15.374 ( -0.000 3.949 -0.000) 3.949 15.452 ( 0.000 3.162 0.000) 3.162 16.511 ( 0.000 -4.372 0.000) 4.372 16.606 ( 0.000 -5.990 0.000) 5.990 16.701 ( 0.000 -1.302 0.000) 1.302 16.794 ( 0.000 -1.494 0.000) 1.494 19.148 ( 0.000 1.063 0.000) 1.063 19.187 ( -0.000 1.665 0.000) 1.665 20.094 ( 0.000 0.936 0.000) 0.936 20.124 ( 0.000 0.787 0.000) 0.787 ======================= Grid point 22 (13/160) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.000 28.353 0.000) 28.353 1.325 ( 0.000 28.254 0.000) 28.254 2.110 ( 0.000 38.489 0.000) 38.489 2.626 ( 0.000 -6.399 0.000) 6.399 2.634 ( 0.000 12.211 0.000) 12.211 2.782 ( 0.000 -3.053 0.000) 3.053 2.806 ( 0.000 -6.721 0.000) 6.721 3.005 ( 0.000 -10.068 0.000) 10.068 3.076 ( 0.000 -1.305 0.000) 1.305 3.219 ( 0.000 -9.676 0.000) 9.676 3.382 ( 0.000 -5.766 0.000) 5.766 3.407 ( 0.000 2.734 0.000) 2.734 3.440 ( 0.000 2.294 0.000) 2.294 3.666 ( 0.000 9.162 0.000) 9.162 3.803 ( 0.000 -10.471 0.000) 10.471 3.904 ( 0.000 -16.526 0.000) 16.526 4.230 ( 0.000 2.001 0.000) 2.001 4.353 ( 0.000 9.884 0.000) 9.884 4.851 ( 0.000 8.063 0.000) 8.063 4.854 ( 0.000 0.272 0.000) 0.272 4.922 ( 0.000 3.451 0.000) 3.451 5.077 ( 0.000 0.276 0.000) 0.276 5.230 ( 0.000 -2.783 0.000) 2.783 5.434 ( 0.000 -3.471 0.000) 3.471 5.612 ( 0.000 -5.783 0.000) 5.783 5.714 ( 0.000 -3.167 0.000) 3.167 5.770 ( 0.000 14.288 0.000) 14.288 6.253 ( 0.000 -1.904 0.000) 1.904 6.531 ( 0.000 -4.225 0.000) 4.225 6.632 ( 0.000 -3.367 0.000) 3.367 7.075 ( 0.000 16.807 0.000) 16.807 7.180 ( 0.000 14.421 0.000) 14.421 7.613 ( 0.000 -0.870 0.000) 0.870 7.964 ( 0.000 -9.532 0.000) 9.532 8.360 ( 0.000 -6.553 0.000) 6.553 8.383 ( 0.000 -3.582 0.000) 3.582 8.829 ( 0.000 4.396 0.000) 4.396 9.212 ( 0.000 0.613 0.000) 0.613 9.377 ( 0.000 9.062 0.000) 9.062 9.695 ( 0.000 2.598 0.000) 2.598 9.892 ( 0.000 -4.195 0.000) 4.195 10.094 ( 0.000 4.695 0.000) 4.695 10.702 ( 0.000 -8.900 0.000) 8.900 10.779 ( 0.000 -3.861 0.000) 3.861 10.838 ( 0.000 9.113 0.000) 9.113 11.026 ( 0.000 2.898 0.000) 2.898 11.983 ( 0.000 1.618 0.000) 1.618 12.168 ( 0.000 -2.770 0.000) 2.770 15.725 ( 0.000 -10.078 0.000) 10.078 15.738 ( 0.000 -9.925 0.000) 9.925 16.009 ( 0.000 0.309 0.000) 0.309 16.048 ( 0.000 -0.339 0.000) 0.339 16.095 ( 0.000 1.450 0.000) 1.450 16.253 ( 0.000 -1.307 0.000) 1.307 16.651 ( 0.000 6.573 0.000) 6.573 16.737 ( 0.000 4.759 0.000) 4.759 19.121 ( 0.000 -0.249 0.000) 0.249 19.184 ( 0.000 0.259 0.000) 0.259 20.127 ( 0.000 -1.441 0.000) 1.441 20.148 ( 0.000 0.923 0.000) 0.923 ======================= Grid point 23 (14/160) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.968 24.972 4.553) 25.402 1.400 ( 7.162 24.204 8.738) 26.711 2.377 ( 17.367 29.077 11.092) 35.639 2.577 ( 1.308 0.849 -10.472) 10.587 2.637 ( 3.165 3.785 -3.111) 5.833 2.746 ( -3.704 -4.869 0.083) 6.118 2.791 ( -0.521 -4.509 -1.213) 4.698 3.014 ( -6.739 -3.562 3.452) 8.368 3.073 ( 0.038 -8.950 8.041) 12.032 3.176 ( -1.878 -7.952 -3.803) 9.012 3.284 ( -3.571 0.632 -2.534) 4.425 3.441 ( -3.648 1.190 10.717) 11.383 3.473 ( -5.522 -1.729 5.542) 8.012 3.557 ( -4.793 1.461 -5.581) 7.501 3.775 ( -2.880 -2.558 4.447) 5.884 3.988 ( -1.873 -10.015 0.633) 10.208 4.273 ( 2.556 5.723 -3.069) 6.979 4.344 ( 4.197 2.959 4.811) 7.037 4.799 ( -1.226 6.738 -4.099) 7.981 4.899 ( 2.236 -0.614 -3.768) 4.425 4.912 ( 0.252 -0.656 -5.471) 5.516 5.016 ( -2.277 3.204 -1.320) 4.146 5.212 ( -3.543 -3.654 2.419) 5.636 5.461 ( 3.895 -3.875 2.648) 6.099 5.580 ( -1.410 -3.648 -2.839) 4.833 5.718 ( -2.370 1.740 4.902) 5.716 5.895 ( 7.755 6.091 2.312) 10.128 6.197 ( -10.298 -3.091 -3.000) 11.163 6.296 ( -1.611 0.528 -1.447) 2.229 6.966 ( 18.322 -6.372 1.968) 19.498 7.088 ( 2.898 15.477 -1.283) 15.798 7.161 ( -3.288 15.398 2.048) 15.878 7.569 ( -3.211 0.424 -1.857) 3.733 7.983 ( 2.001 -8.403 -0.242) 8.641 8.290 ( 1.400 -4.855 -6.499) 8.232 8.448 ( -1.750 -2.145 5.793) 6.420 8.832 ( 1.765 4.756 -1.843) 5.397 9.134 ( -5.868 10.554 -6.379) 13.657 9.348 ( -8.598 8.791 8.700) 15.063 9.491 ( -1.597 3.432 -6.690) 7.686 9.962 ( -4.239 -4.331 2.782) 6.668 10.049 ( -2.963 0.161 3.898) 4.899 10.509 ( -8.411 -2.774 -9.919) 13.298 10.726 ( -6.301 -7.249 4.146) 10.461 11.135 ( 15.238 2.414 3.262) 15.769 11.298 ( 22.538 -2.090 6.897) 23.662 11.995 ( 3.126 1.803 -2.495) 4.387 12.153 ( 1.067 -2.142 -3.611) 4.332 15.708 ( -2.220 -5.735 -1.412) 6.309 15.765 ( 1.164 -6.571 -2.633) 7.174 15.921 ( 1.688 -4.160 -5.062) 6.766 15.985 ( 1.827 -3.302 -6.381) 7.413 16.165 ( -0.155 3.540 2.089) 4.114 16.330 ( -0.064 0.534 7.707) 7.726 16.520 ( -13.485 7.343 1.053) 15.390 16.702 ( -2.688 5.159 1.893) 6.118 19.154 ( 4.171 -0.926 -1.469) 4.518 19.204 ( 2.958 0.263 -1.771) 3.458 20.121 ( -1.673 -0.991 1.573) 2.501 20.150 ( -0.693 0.771 1.193) 1.580 ======================= Grid point 24 (15/160) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 9.576 14.560 10.976) 20.595 1.675 ( 10.441 16.589 9.664) 21.854 2.409 ( -1.054 -0.702 -12.194) 12.260 2.620 ( -3.000 -4.355 -3.412) 6.293 2.681 ( 2.992 -3.815 -0.648) 4.892 2.688 ( -2.327 0.578 -2.840) 3.717 2.856 ( 3.832 3.406 0.614) 5.163 2.961 ( -5.311 1.326 5.417) 7.702 3.079 ( -3.705 -6.874 -0.748) 7.845 3.181 ( 8.102 6.387 9.296) 13.887 3.269 ( -1.859 -4.263 4.261) 6.308 3.389 ( -6.209 0.973 -0.315) 6.292 3.460 ( -0.988 -2.348 2.263) 3.408 3.581 ( -1.109 2.574 16.333) 16.572 3.709 ( -10.611 -1.577 1.201) 10.795 3.880 ( -7.216 -5.446 0.172) 9.042 4.246 ( 5.044 5.934 -6.367) 10.059 4.574 ( 7.447 -1.139 5.251) 9.182 4.720 ( -5.738 -5.364 -4.374) 8.990 4.726 ( -10.699 1.982 1.031) 10.930 4.827 ( -0.602 4.447 -4.286) 6.206 5.024 ( 5.476 6.458 -7.355) 11.215 5.267 ( 3.093 -7.043 5.121) 9.241 5.500 ( -0.696 0.520 -2.259) 2.420 5.570 ( 2.221 -2.948 0.660) 3.750 5.731 ( -3.183 -0.229 3.647) 4.846 5.944 ( -5.019 -0.698 -4.472) 6.759 5.978 ( -5.981 -2.029 -0.250) 6.321 6.424 ( 12.721 7.736 2.729) 15.136 7.048 ( -6.789 9.933 0.286) 12.035 7.138 ( 3.879 12.727 -0.563) 13.317 7.286 ( 12.326 1.447 -1.576) 12.510 7.508 ( -0.915 1.931 1.151) 2.427 8.014 ( 1.983 -6.635 -0.806) 6.972 8.273 ( 3.037 -1.328 -3.270) 4.656 8.427 ( -2.551 5.498 -1.992) 6.380 8.848 ( 1.367 5.274 -0.151) 5.451 9.004 ( -2.578 8.939 0.721) 9.331 9.346 ( -1.768 4.454 4.819) 6.796 9.474 ( 2.863 2.907 -1.139) 4.236 9.868 ( -6.608 -2.374 1.489) 7.178 10.030 ( -9.431 -3.232 3.584) 10.594 10.282 ( -4.241 -4.172 -5.266) 7.945 10.629 ( -7.770 -7.033 0.159) 10.482 11.430 ( 13.805 2.975 4.423) 14.798 11.714 ( 16.802 -5.854 2.797) 18.011 12.031 ( 6.012 1.641 -4.401) 7.629 12.128 ( 1.879 -1.439 -4.489) 5.074 15.609 ( -3.950 1.275 -4.196) 5.902 15.655 ( -3.728 1.089 -7.095) 8.088 15.979 ( 2.188 -4.802 -0.124) 5.279 16.027 ( 6.495 -8.077 -0.476) 10.375 16.091 ( -7.408 8.774 -2.142) 11.681 16.230 ( -8.357 6.026 -0.483) 10.314 16.498 ( 0.445 -0.865 8.154) 8.212 16.716 ( -1.070 1.363 5.126) 5.410 19.205 ( 3.977 -0.134 -2.650) 4.782 19.224 ( 3.185 -0.267 -3.524) 4.758 20.114 ( -1.869 -0.332 2.532) 3.165 20.149 ( -1.564 0.789 1.782) 2.499 ======================= Grid point 25 (16/160) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 11.612 5.923 13.262) 18.596 1.946 ( 8.745 9.496 6.643) 14.519 2.285 ( 1.673 1.761 -8.003) 8.364 2.499 ( -8.384 -4.983 2.234) 10.006 2.581 ( -1.842 1.597 -5.758) 6.253 2.701 ( 2.072 -4.276 -4.250) 6.375 2.790 ( -1.586 -5.586 -6.569) 8.767 2.891 ( -5.585 1.690 2.512) 6.353 2.996 ( -3.998 -4.502 -4.977) 7.812 3.144 ( -11.447 0.819 -4.045) 12.168 3.322 ( -5.421 -2.742 5.532) 8.217 3.456 ( -2.431 -5.867 2.806) 6.943 3.553 ( -2.025 -2.609 3.969) 5.163 3.643 ( 7.219 -3.467 7.764) 11.154 3.723 ( 5.876 4.751 4.697) 8.898 3.904 ( 1.742 -0.237 18.961) 19.043 4.275 ( 1.880 -0.267 -2.562) 3.189 4.493 ( -11.383 -6.047 -1.598) 12.988 4.600 ( -2.564 1.222 -1.928) 3.433 4.629 ( -3.037 -2.041 -2.147) 4.242 4.886 ( 5.230 7.742 0.848) 9.381 5.007 ( 4.838 6.234 -9.335) 12.223 5.352 ( -2.324 -6.474 1.465) 7.033 5.481 ( -0.387 4.136 1.070) 4.289 5.565 ( -4.541 0.702 2.087) 5.047 5.677 ( 0.498 -4.124 -2.492) 4.844 5.837 ( -1.292 4.568 -2.406) 5.322 5.910 ( -3.112 -0.342 1.298) 3.389 6.667 ( 9.813 10.321 -0.972) 14.274 6.903 ( -6.229 12.119 -1.986) 13.770 7.216 ( 3.416 12.192 2.767) 12.960 7.396 ( 2.444 6.779 4.582) 8.539 7.585 ( 5.714 -0.678 -0.506) 5.777 8.007 ( 0.018 -2.429 -4.567) 5.173 8.280 ( 0.002 2.840 0.472) 2.879 8.403 ( 5.986 2.077 -5.100) 8.134 8.871 ( -2.327 3.136 5.389) 6.655 9.007 ( 2.248 1.658 -2.208) 3.560 9.374 ( -0.787 5.168 2.446) 5.772 9.572 ( 7.264 -0.890 3.106) 7.950 9.749 ( -10.893 -0.847 -2.456) 11.199 9.857 ( -4.725 -2.897 -0.717) 5.588 10.241 ( -2.899 -3.924 4.129) 6.392 10.478 ( -8.090 -6.123 -1.654) 10.280 11.703 ( 11.525 1.967 4.209) 12.426 11.920 ( 7.225 -3.209 -2.307) 8.236 12.098 ( 7.281 -0.368 -3.735) 8.192 12.117 ( 2.080 -1.382 -2.804) 3.755 15.505 ( -2.052 3.763 -4.180) 5.987 15.529 ( -2.342 4.307 -4.142) 6.418 15.847 ( -11.934 11.452 -0.627) 16.552 15.907 ( -9.224 12.978 -2.518) 16.120 16.165 ( 8.752 -9.333 0.261) 12.797 16.268 ( 6.786 -9.074 1.493) 11.428 16.591 ( 0.147 -0.931 6.015) 6.088 16.759 ( -1.257 -1.157 4.301) 4.628 19.207 ( 1.240 1.414 -3.265) 3.768 19.240 ( 2.889 -0.485 -3.528) 4.585 20.118 ( -1.201 0.297 2.272) 2.587 20.140 ( -1.846 0.814 1.819) 2.716 ======================= Grid point 26 (17/160) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 4.561 4.613 4.697) 8.009 2.207 ( 6.621 0.924 12.255) 13.959 2.282 ( 5.952 4.015 -2.708) 7.673 2.401 ( -6.742 0.293 2.173) 7.090 2.514 ( 1.501 3.137 -6.613) 7.472 2.635 ( -4.336 -1.575 -2.534) 5.264 2.699 ( -3.662 -5.620 -2.647) 7.211 2.802 ( -8.509 -3.973 -6.115) 11.206 2.851 ( -0.750 2.027 -1.861) 2.852 2.988 ( 5.281 0.658 -4.312) 6.850 3.267 ( -7.424 0.415 3.792) 8.347 3.354 ( -7.548 -2.206 -2.342) 8.205 3.656 ( 7.100 -14.884 4.984) 17.227 3.740 ( 6.168 -14.606 -0.365) 15.859 3.912 ( -4.206 -6.525 12.061) 14.344 4.143 ( -11.918 -14.982 0.130) 19.144 4.249 ( 8.516 3.441 9.814) 13.441 4.390 ( 0.393 1.829 -2.147) 2.847 4.498 ( -0.966 3.644 -1.326) 3.996 4.613 ( -1.561 4.051 0.969) 4.448 4.966 ( 5.110 5.377 -0.832) 7.464 4.995 ( 5.643 5.650 -6.636) 10.383 5.206 ( -8.981 -1.700 -1.031) 9.198 5.379 ( -7.076 -0.140 -5.095) 8.721 5.641 ( 0.931 7.085 7.634) 10.456 5.713 ( 2.668 1.124 0.891) 3.029 5.770 ( 0.778 7.071 -5.655) 9.088 5.929 ( 0.538 -0.040 3.267) 3.312 6.651 ( -2.535 12.462 -4.894) 13.626 6.845 ( -1.879 18.872 -0.554) 18.973 7.339 ( 5.223 11.523 4.916) 13.573 7.528 ( 2.969 8.985 5.144) 10.771 7.630 ( 1.457 -0.624 0.557) 1.680 7.910 ( -1.180 -0.359 -8.288) 8.379 8.329 ( 1.695 -1.780 4.932) 5.511 8.453 ( 5.737 -2.102 -5.717) 8.368 8.899 ( -1.613 0.533 4.785) 5.077 9.021 ( 2.514 -0.841 -2.182) 3.433 9.373 ( -1.619 3.612 1.009) 4.085 9.493 ( -9.458 -1.653 -4.161) 10.464 9.765 ( 7.337 -0.932 1.908) 7.638 9.836 ( 0.350 0.081 1.403) 1.448 10.233 ( -3.905 -3.155 3.930) 6.376 10.338 ( -5.324 -5.083 -1.407) 7.494 11.900 ( 5.179 -0.190 2.263) 5.655 11.968 ( 4.926 -0.731 -2.929) 5.777 12.126 ( 1.004 -1.440 -0.376) 1.795 12.161 ( 3.664 -1.441 -2.639) 4.740 15.442 ( -0.527 5.816 -2.408) 6.316 15.483 ( 0.657 5.473 -1.507) 5.715 15.655 ( -8.344 12.730 -1.139) 15.263 15.748 ( -6.138 15.203 -1.089) 16.431 16.306 ( 6.693 -8.618 0.218) 10.914 16.392 ( 4.435 -9.540 1.594) 10.640 16.650 ( 0.157 -0.908 3.542) 3.660 16.764 ( -2.396 -2.665 1.843) 4.030 19.187 ( 0.704 1.572 -2.378) 2.936 19.234 ( 0.707 0.971 -2.121) 2.438 20.119 ( -0.869 0.825 0.802) 1.442 20.137 ( -0.857 0.669 1.583) 1.921 ======================= Grid point 27 (18/160) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.000 5.619 0.000) 5.619 2.296 ( 0.000 4.778 -0.000) 4.778 2.308 ( -0.000 -0.283 0.000) 0.283 2.443 ( -0.000 -0.921 0.000) 0.921 2.472 ( -0.000 3.102 -0.000) 3.102 2.577 ( 0.000 1.975 0.000) 1.975 2.604 ( -0.000 -2.823 -0.000) 2.823 2.625 ( 0.000 -3.078 -0.000) 3.078 2.894 ( 0.000 -0.690 0.000) 0.690 3.067 ( -0.000 -1.451 0.000) 1.451 3.190 ( 0.000 0.010 0.000) 0.010 3.245 ( -0.000 -0.786 -0.000) 0.786 3.798 ( -0.000 -14.584 -0.000) 14.584 3.852 ( 0.000 -14.421 -0.000) 14.421 3.876 ( -0.000 -17.969 0.000) 17.969 3.994 ( 0.000 -20.225 0.000) 20.225 4.278 ( -0.000 3.910 0.000) 3.910 4.478 ( -0.000 3.307 -0.000) 3.307 4.539 ( 0.000 4.282 0.000) 4.282 4.567 ( -0.000 9.126 -0.000) 9.126 4.980 ( 0.000 2.369 -0.000) 2.369 5.067 ( -0.000 2.349 0.000) 2.349 5.168 ( -0.000 3.265 -0.000) 3.265 5.192 ( 0.000 0.244 0.000) 0.244 5.669 ( 0.000 9.798 0.000) 9.798 5.751 ( 0.000 7.297 -0.000) 7.297 5.765 ( 0.000 2.810 0.000) 2.810 5.960 ( 0.000 -0.065 0.000) 0.065 6.591 ( 0.000 14.661 0.000) 14.661 6.813 ( -0.000 20.750 0.000) 20.750 7.463 ( 0.000 8.514 0.000) 8.514 7.508 ( -0.000 13.866 -0.000) 13.866 7.724 ( 0.000 4.587 0.000) 4.587 7.807 ( -0.000 -6.679 0.000) 6.679 8.408 ( 0.000 -4.829 0.000) 4.829 8.443 ( 0.000 -3.088 0.000) 3.088 8.918 ( -0.000 -0.952 0.000) 0.952 9.032 ( -0.000 -2.681 -0.000) 2.681 9.350 ( 0.000 1.647 0.000) 1.647 9.385 ( 0.000 3.113 -0.000) 3.113 9.810 ( 0.000 0.872 0.000) 0.872 9.890 ( -0.000 -2.212 0.000) 2.212 10.218 ( 0.000 -2.583 -0.000) 2.583 10.281 ( 0.000 -4.611 0.000) 4.611 11.932 ( 0.000 -0.811 -0.000) 0.811 12.025 ( 0.000 -1.574 0.000) 1.574 12.134 ( 0.000 -0.181 0.000) 0.181 12.168 ( 0.000 -1.712 0.000) 1.712 15.425 ( 0.000 6.575 0.000) 6.575 15.496 ( -0.000 3.898 -0.000) 3.898 15.560 ( 0.000 14.553 0.000) 14.553 15.687 ( 0.000 16.122 0.000) 16.122 16.372 ( 0.000 -8.030 0.000) 8.030 16.440 ( 0.000 -9.122 -0.000) 9.122 16.680 ( 0.000 -0.963 0.000) 0.963 16.743 ( -0.000 -3.484 0.000) 3.484 19.179 ( 0.000 1.708 0.000) 1.708 19.225 ( -0.000 1.596 -0.000) 1.596 20.115 ( 0.000 0.940 0.000) 0.940 20.141 ( 0.000 0.670 -0.000) 0.670 ======================= Grid point 33 (19/160) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 23.998 0.000) 23.998 1.877 ( 0.000 24.352 0.000) 24.352 2.531 ( 0.000 -1.150 0.000) 1.150 2.550 ( 0.000 0.261 0.000) 0.261 2.628 ( 0.000 -3.379 0.000) 3.379 2.708 ( 0.000 -13.357 0.000) 13.357 2.735 ( 0.000 -0.644 0.000) 0.644 2.821 ( 0.000 -8.022 0.000) 8.022 3.050 ( 0.000 5.348 0.000) 5.348 3.199 ( 0.000 -9.954 0.000) 9.954 3.294 ( 0.000 -2.631 0.000) 2.631 3.435 ( 0.000 -4.005 0.000) 4.005 3.471 ( 0.000 17.363 0.000) 17.363 3.670 ( 0.000 -2.647 0.000) 2.647 3.683 ( 0.000 1.368 0.000) 1.368 3.911 ( 0.000 12.860 0.000) 12.860 4.272 ( 0.000 -0.274 0.000) 0.274 4.457 ( 0.000 -4.928 0.000) 4.928 4.859 ( 0.000 3.880 0.000) 3.880 4.953 ( 0.000 2.322 0.000) 2.322 4.986 ( 0.000 3.244 0.000) 3.244 5.170 ( 0.000 5.686 0.000) 5.686 5.185 ( 0.000 -0.919 0.000) 0.919 5.328 ( 0.000 -6.809 0.000) 6.809 5.479 ( 0.000 -5.202 0.000) 5.202 5.602 ( 0.000 -7.046 0.000) 7.046 6.057 ( 0.000 12.511 0.000) 12.511 6.238 ( 0.000 0.788 0.000) 0.788 6.437 ( 0.000 -4.412 0.000) 4.412 6.528 ( 0.000 -6.502 0.000) 6.502 7.406 ( 0.000 13.669 0.000) 13.669 7.445 ( 0.000 9.525 0.000) 9.525 7.625 ( 0.000 1.977 0.000) 1.977 7.767 ( 0.000 -8.812 0.000) 8.812 8.238 ( 0.000 -4.366 0.000) 4.366 8.297 ( 0.000 -4.470 0.000) 4.470 8.927 ( 0.000 5.113 0.000) 5.113 9.162 ( 0.000 -4.432 0.000) 4.432 9.566 ( 0.000 5.554 0.000) 5.554 9.782 ( 0.000 -5.871 0.000) 5.871 9.821 ( 0.000 12.253 0.000) 12.253 10.254 ( 0.000 9.449 0.000) 9.449 10.463 ( 0.000 -13.558 0.000) 13.558 10.651 ( 0.000 -7.925 0.000) 7.925 11.015 ( 0.000 7.089 0.000) 7.089 11.100 ( 0.000 2.963 0.000) 2.963 12.017 ( 0.000 1.593 0.000) 1.593 12.107 ( 0.000 -2.864 0.000) 2.864 15.555 ( 0.000 -5.684 0.000) 5.684 15.565 ( 0.000 -6.046 0.000) 6.046 16.018 ( 0.000 0.521 0.000) 0.521 16.039 ( 0.000 -0.456 0.000) 0.456 16.132 ( 0.000 1.999 0.000) 1.999 16.219 ( 0.000 -1.871 0.000) 1.871 16.759 ( 0.000 3.763 0.000) 3.763 16.805 ( 0.000 1.680 0.000) 1.680 19.128 ( 0.000 0.917 0.000) 0.917 19.180 ( 0.000 -0.709 0.000) 0.709 20.112 ( 0.000 0.128 0.000) 0.128 20.152 ( 0.000 -0.565 0.000) 0.565 ======================= Grid point 34 (20/160) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -2.582 21.681 0.356) 21.837 1.896 ( 3.509 22.439 3.474) 22.975 2.472 ( -0.584 -6.144 -6.365) 8.866 2.579 ( -1.889 -2.608 1.083) 3.398 2.658 ( -2.897 -2.635 0.401) 3.936 2.695 ( 0.268 -3.601 0.681) 3.674 2.721 ( 0.573 -8.119 0.367) 8.148 2.830 ( 0.353 -10.433 2.686) 10.779 2.993 ( 1.167 1.290 -7.829) 8.020 3.223 ( -1.629 -3.147 1.037) 3.693 3.301 ( -1.779 0.565 6.267) 6.539 3.398 ( 0.149 3.035 1.976) 3.625 3.475 ( 1.978 6.943 -0.029) 7.219 3.705 ( -0.205 6.324 -4.212) 7.601 3.743 ( -3.219 1.866 10.173) 10.832 3.920 ( -5.069 8.208 10.301) 14.113 4.311 ( 1.727 -2.830 1.601) 3.682 4.454 ( -0.807 1.016 2.071) 2.444 4.802 ( -5.863 -2.472 0.169) 6.366 4.840 ( -4.549 -3.112 -5.069) 7.488 4.942 ( -4.996 3.218 -0.697) 5.984 5.148 ( 2.614 5.676 -3.283) 7.059 5.172 ( -4.265 -0.049 -1.643) 4.570 5.384 ( 7.592 -3.537 1.284) 8.473 5.494 ( 2.520 -2.683 -2.426) 4.409 5.659 ( 2.765 -5.842 2.712) 7.009 6.018 ( -5.022 3.989 0.440) 6.428 6.137 ( -11.293 -2.695 -3.792) 12.213 6.386 ( 10.046 8.185 -0.086) 12.958 6.803 ( 16.671 -9.000 0.785) 18.961 7.387 ( 1.275 11.956 -4.289) 12.766 7.443 ( -1.748 10.325 1.649) 10.601 7.590 ( -0.792 1.241 -2.076) 2.545 7.809 ( 3.749 -7.855 -0.549) 8.721 8.217 ( 1.924 -1.107 -1.742) 2.821 8.371 ( -0.189 -4.793 8.058) 9.377 8.938 ( 1.423 5.538 -0.153) 5.720 9.197 ( 2.576 -3.874 1.956) 5.047 9.478 ( -13.093 6.325 3.371) 14.926 9.692 ( 0.373 9.439 -8.174) 12.492 9.855 ( -2.318 -1.413 4.431) 5.197 10.151 ( -7.078 8.043 -0.985) 10.759 10.372 ( -5.060 -10.302 -9.783) 15.082 10.548 ( -8.549 -9.145 3.064) 12.889 11.213 ( 13.871 4.231 4.134) 15.079 11.296 ( 15.395 0.532 5.244) 16.273 12.030 ( 3.021 1.526 -2.269) 4.075 12.104 ( 1.587 -2.303 -2.659) 3.859 15.590 ( 4.051 -4.278 -0.428) 5.907 15.622 ( 6.130 -5.765 -0.190) 8.417 15.894 ( -3.179 0.273 -7.991) 8.604 15.936 ( -1.535 -1.637 -8.911) 9.189 16.236 ( 2.103 3.014 5.840) 6.900 16.320 ( 2.243 -1.058 8.461) 8.817 16.658 ( -10.635 5.545 0.409) 12.001 16.768 ( -4.699 1.030 0.801) 4.877 19.146 ( 2.981 0.371 -1.389) 3.310 19.197 ( 2.922 -0.988 -1.977) 3.663 20.113 ( -1.013 0.375 1.621) 1.948 20.154 ( -0.610 -0.504 1.136) 1.384 ======================= Grid point 35 (21/160) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 1.823 15.587 5.471) 16.620 2.027 ( 5.767 15.785 3.342) 17.135 2.371 ( -0.305 -3.056 -6.997) 7.641 2.501 ( -7.578 -4.728 0.983) 8.986 2.573 ( -3.025 -4.194 -2.560) 5.770 2.678 ( -0.350 -10.830 -1.404) 10.926 2.761 ( -0.768 1.330 -0.326) 1.570 2.886 ( 1.444 -6.501 3.556) 7.549 2.934 ( 0.040 -4.545 -1.809) 4.891 3.162 ( 0.390 -8.282 -8.548) 11.908 3.339 ( -0.258 3.470 -0.874) 3.588 3.464 ( -2.337 1.861 -0.107) 2.990 3.528 ( -1.593 6.448 8.265) 10.603 3.651 ( -5.704 2.141 10.497) 12.137 3.759 ( -8.339 5.388 10.467) 14.427 3.915 ( -5.156 14.955 6.667) 17.166 4.275 ( -8.000 -9.882 0.956) 12.750 4.490 ( -0.353 3.666 0.492) 3.715 4.687 ( -4.634 -1.163 -0.796) 4.844 4.718 ( -6.379 -8.077 0.197) 10.294 4.917 ( 3.524 6.065 0.521) 7.034 5.138 ( 2.731 -3.690 3.887) 6.016 5.182 ( 5.461 7.850 -7.299) 12.030 5.476 ( 1.876 -4.619 -1.842) 5.315 5.534 ( 5.954 1.093 -0.792) 6.105 5.681 ( -3.412 -3.952 -1.548) 5.446 5.930 ( -2.789 -0.583 -1.315) 3.138 5.949 ( -5.054 -0.664 -1.386) 5.282 6.622 ( 14.327 10.201 1.777) 17.677 7.020 ( 7.764 -7.505 -2.416) 11.065 7.368 ( 2.879 8.887 -4.124) 10.212 7.451 ( 3.339 8.071 0.834) 8.774 7.582 ( 0.477 4.565 0.841) 4.666 7.863 ( 3.326 -7.386 -0.341) 8.107 8.272 ( 3.729 2.116 1.381) 4.504 8.445 ( -1.321 -2.551 5.339) 6.062 8.971 ( 2.682 6.308 -0.872) 6.910 9.251 ( -12.392 11.569 -0.898) 16.977 9.293 ( 4.018 -5.471 3.258) 7.529 9.606 ( -3.761 4.211 -2.298) 6.096 9.844 ( -3.155 0.824 2.877) 4.348 10.015 ( -11.340 3.248 -0.186) 11.797 10.171 ( -1.293 -5.799 -6.771) 9.008 10.443 ( -7.591 -10.364 1.364) 12.919 11.500 ( 13.227 3.492 4.097) 14.281 11.628 ( 14.821 -2.955 3.573) 15.529 12.061 ( 4.990 1.102 -4.257) 6.651 12.099 ( 2.549 -1.177 -4.057) 4.934 15.636 ( 2.256 1.654 -3.824) 4.738 15.692 ( 0.622 2.101 -4.742) 5.224 15.822 ( 6.429 -6.958 -2.264) 9.740 15.869 ( 4.339 -6.308 -2.993) 8.220 16.276 ( -3.299 7.894 1.508) 8.687 16.425 ( -8.065 8.428 1.769) 11.799 16.474 ( -2.781 -0.720 4.515) 5.352 16.703 ( -4.911 -2.648 3.765) 6.731 19.189 ( 4.160 -0.497 -2.179) 4.723 19.219 ( 2.731 -0.836 -2.804) 4.002 20.118 ( -1.231 0.733 2.462) 2.849 20.155 ( -1.200 -0.259 1.604) 2.020 ======================= Grid point 36 (22/160) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 4.244 7.361 10.950) 13.860 2.132 ( 2.765 6.413 1.218) 7.089 2.336 ( 2.839 3.469 -3.959) 5.980 2.416 ( -3.326 -2.053 4.788) 6.180 2.523 ( 0.718 -5.586 -0.677) 5.673 2.637 ( -2.063 -6.842 -3.851) 8.118 2.706 ( 1.547 3.350 -7.024) 7.935 2.881 ( -3.091 -2.893 0.360) 4.249 2.943 ( 0.820 -0.172 -6.404) 6.458 3.126 ( 1.259 -12.288 4.107) 13.017 3.192 ( -7.473 3.189 -6.736) 10.554 3.388 ( -4.490 -4.182 -1.627) 6.348 3.548 ( -8.767 3.095 1.568) 9.429 3.564 ( -10.096 1.684 5.345) 11.547 3.749 ( -7.599 -4.182 11.097) 14.085 4.025 ( -8.442 -6.728 5.025) 11.907 4.145 ( -0.583 5.798 11.668) 13.042 4.474 ( 0.678 2.641 -4.578) 5.329 4.600 ( -4.369 -1.222 4.513) 6.399 4.670 ( -0.269 1.515 0.763) 1.718 5.022 ( 3.494 5.637 0.672) 6.666 5.156 ( 4.071 7.857 -8.467) 12.247 5.235 ( 0.104 -4.268 -0.239) 4.276 5.493 ( -0.772 -6.123 -3.108) 6.910 5.559 ( 0.362 2.857 0.971) 3.039 5.643 ( 6.072 -0.715 2.150) 6.481 5.903 ( 0.517 1.145 -1.887) 2.267 5.909 ( -0.209 0.979 0.237) 1.028 6.865 ( 10.097 7.977 -0.584) 12.881 7.048 ( 2.591 1.445 -0.093) 2.968 7.395 ( 3.843 6.652 -1.415) 7.812 7.580 ( 5.315 8.063 3.293) 10.203 7.617 ( 3.375 2.823 1.031) 4.519 7.909 ( 1.750 -5.899 -0.268) 6.159 8.335 ( 0.945 2.911 0.661) 3.131 8.439 ( -2.026 0.177 -0.939) 2.240 8.978 ( -1.754 6.472 -0.261) 6.710 9.077 ( -4.839 4.587 -1.421) 6.817 9.399 ( 3.824 -3.168 0.724) 5.018 9.512 ( -4.802 -4.221 -0.924) 6.459 9.811 ( -7.347 5.215 -0.436) 9.020 9.842 ( -0.247 2.906 1.610) 3.331 10.148 ( -1.479 -4.306 2.687) 5.287 10.321 ( -6.788 -8.625 -0.558) 10.989 11.748 ( 10.229 2.302 3.146) 10.947 11.854 ( 8.619 -2.900 0.194) 9.096 12.094 ( 4.353 -0.189 -4.617) 6.348 12.099 ( 3.764 -0.308 -3.616) 5.229 15.592 ( 0.239 4.371 -4.587) 6.340 15.617 ( -0.685 3.897 -4.204) 5.773 15.951 ( 6.127 -4.180 0.593) 7.441 15.985 ( 7.048 -6.853 1.925) 10.017 16.182 ( -6.233 11.344 -1.068) 12.988 16.230 ( -7.101 7.746 -2.504) 10.803 16.561 ( 1.054 -1.894 4.855) 5.317 16.691 ( -2.604 -5.231 3.606) 6.866 19.220 ( 2.129 -0.206 -2.838) 3.553 19.228 ( 2.263 -0.380 -1.532) 2.759 20.128 ( -0.809 0.739 2.093) 2.362 20.151 ( -1.402 0.121 1.452) 2.022 ======================= Grid point 37 (23/160) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 1.099 2.309 6.949) 7.405 2.224 ( 1.068 0.363 11.951) 12.004 2.362 ( 3.855 3.479 -0.630) 5.231 2.472 ( 1.958 5.826 -2.211) 6.532 2.521 ( 0.618 -2.510 -5.909) 6.450 2.611 ( 6.398 -0.743 1.207) 6.553 2.642 ( -0.326 1.319 -5.793) 5.950 2.767 ( -4.771 0.872 -5.699) 7.483 2.905 ( -1.284 2.250 1.260) 2.881 3.001 ( -2.440 1.222 -7.121) 7.626 3.205 ( -2.088 -9.259 4.127) 10.350 3.263 ( -6.425 -5.526 -1.136) 8.551 3.444 ( -3.475 -2.843 1.662) 4.787 3.484 ( -0.149 -7.064 -0.315) 7.073 3.687 ( -12.682 -11.836 6.385) 18.485 3.785 ( -14.719 -16.717 -0.634) 22.283 4.382 ( 4.903 7.037 5.206) 10.033 4.455 ( 0.282 3.134 6.033) 6.805 4.640 ( 2.146 7.001 2.657) 7.789 4.711 ( 0.470 3.773 3.608) 5.242 5.042 ( 1.421 2.468 -1.794) 3.365 5.111 ( 1.557 4.948 -7.950) 9.492 5.166 ( -2.867 -1.589 -0.844) 3.385 5.341 ( -3.514 -3.257 -9.013) 10.207 5.737 ( 5.775 2.828 6.919) 9.446 5.774 ( 2.413 2.726 5.497) 6.593 5.881 ( 1.739 3.429 -4.610) 6.003 5.926 ( 1.084 -0.148 1.075) 1.533 6.909 ( 1.476 11.797 -2.140) 12.080 7.171 ( 4.819 9.516 1.528) 10.775 7.471 ( 5.514 0.283 2.412) 6.025 7.641 ( -0.936 7.417 4.394) 8.671 7.732 ( 5.417 4.083 -0.037) 6.784 7.883 ( -2.295 -1.333 -3.886) 4.706 8.314 ( -3.059 0.399 2.060) 3.709 8.395 ( 1.129 -3.201 -5.281) 6.278 8.942 ( -3.015 3.202 2.533) 5.075 9.014 ( -0.643 0.176 -2.830) 2.908 9.407 ( -3.060 -1.249 -0.950) 3.439 9.431 ( 0.004 -2.767 -2.272) 3.580 9.805 ( 2.694 4.357 2.103) 5.538 9.867 ( -0.104 2.823 2.356) 3.679 10.149 ( -2.662 -4.376 3.300) 6.093 10.215 ( -4.160 -6.314 -0.726) 7.596 11.904 ( 3.904 0.572 1.014) 4.074 11.948 ( 4.818 -1.150 -1.347) 5.134 12.106 ( 2.112 -0.321 -1.384) 2.545 12.132 ( 3.417 -1.228 -2.799) 4.584 15.557 ( 0.543 4.968 -2.388) 5.538 15.581 ( 0.535 3.897 -1.797) 4.325 15.944 ( -5.549 12.016 0.558) 13.247 16.046 ( -4.738 9.824 1.489) 11.008 16.150 ( 6.524 -3.897 -1.246) 7.700 16.209 ( 4.707 -6.252 -0.998) 7.889 16.616 ( 0.423 -2.282 2.518) 3.424 16.679 ( -2.417 -5.104 1.376) 5.813 19.215 ( 0.669 0.965 -1.445) 1.862 19.242 ( 0.980 -0.191 -0.947) 1.375 20.135 ( -0.543 0.692 0.725) 1.140 20.148 ( -0.724 0.252 1.184) 1.410 ======================= Grid point 38 (24/160) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.000 0.947 -0.000) 0.947 2.322 ( -0.000 3.658 -0.000) 3.658 2.356 ( -0.000 0.698 0.000) 0.698 2.376 ( 0.000 -3.048 -0.000) 3.048 2.589 ( -0.000 8.025 0.000) 8.025 2.615 ( 0.000 3.410 0.000) 3.410 2.645 ( -0.000 5.546 0.000) 5.546 2.661 ( 0.000 4.394 -0.000) 4.394 2.880 ( 0.000 -0.515 0.000) 0.515 3.009 ( -0.000 -3.803 0.000) 3.803 3.140 ( 0.000 -5.243 0.000) 5.243 3.198 ( 0.000 -5.282 -0.000) 5.282 3.510 ( -0.000 -13.828 -0.000) 13.828 3.512 ( 0.000 -10.826 0.000) 10.826 3.557 ( -0.000 -11.546 0.000) 11.546 3.591 ( 0.000 -16.095 -0.000) 16.095 4.421 ( -0.000 7.402 0.000) 7.402 4.544 ( 0.000 1.991 -0.000) 1.991 4.685 ( 0.000 7.778 0.000) 7.778 4.742 ( -0.000 6.457 -0.000) 6.457 5.030 ( 0.000 2.209 -0.000) 2.209 5.081 ( -0.000 -0.702 0.000) 0.702 5.176 ( -0.000 -0.983 0.000) 0.983 5.200 ( 0.000 -0.047 0.000) 0.047 5.814 ( 0.000 4.017 -0.000) 4.017 5.851 ( -0.000 4.748 0.000) 4.748 5.861 ( 0.000 2.843 -0.000) 2.843 5.952 ( 0.000 -0.817 0.000) 0.817 6.915 ( 0.000 15.658 0.000) 15.658 7.200 ( -0.000 14.590 0.000) 14.590 7.605 ( -0.000 -9.432 -0.000) 9.432 7.638 ( 0.000 5.313 0.000) 5.313 7.786 ( -0.000 9.497 -0.000) 9.497 7.791 ( 0.000 2.689 0.000) 2.689 8.313 ( 0.000 -3.620 -0.000) 3.620 8.357 ( 0.000 -5.039 0.000) 5.039 8.933 ( -0.000 1.987 0.000) 1.987 8.989 ( -0.000 -1.301 -0.000) 1.301 9.369 ( 0.000 0.420 0.000) 0.420 9.420 ( 0.000 -0.191 0.000) 0.191 9.852 ( -0.000 3.211 0.000) 3.211 9.883 ( 0.000 1.561 0.000) 1.561 10.146 ( 0.000 -3.920 0.000) 3.920 10.171 ( 0.000 -5.435 0.000) 5.435 11.930 ( 0.000 0.617 -0.000) 0.617 11.989 ( 0.000 -1.757 0.000) 1.757 12.128 ( -0.000 -0.362 0.000) 0.362 12.137 ( 0.000 -1.069 0.000) 1.069 15.548 ( 0.000 5.167 0.000) 5.167 15.578 ( -0.000 3.560 0.000) 3.560 15.890 ( 0.000 14.910 -0.000) 14.910 16.005 ( 0.000 12.305 0.000) 12.305 16.212 ( 0.000 -6.209 -0.000) 6.209 16.253 ( 0.000 -7.809 -0.000) 7.809 16.645 ( 0.000 -2.499 0.000) 2.499 16.650 ( -0.000 -4.812 -0.000) 4.812 19.212 ( 0.000 1.320 0.000) 1.320 19.244 ( -0.000 0.103 -0.000) 0.103 20.133 ( 0.000 0.776 0.000) 0.776 20.150 ( 0.000 0.155 -0.000) 0.155 ======================= Grid point 44 (25/160) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 0.000 -18.109 0.000) 18.109 2.276 ( 0.000 18.109 0.000) 18.109 2.349 ( 0.000 -19.998 0.000) 19.998 2.349 ( 0.000 19.998 0.000) 19.998 2.605 ( 0.000 -8.110 0.000) 8.110 2.605 ( 0.000 8.110 0.000) 8.110 2.711 ( 0.000 -3.501 0.000) 3.501 2.711 ( 0.000 3.501 0.000) 3.501 3.092 ( 0.000 -2.026 0.000) 2.026 3.092 ( 0.000 2.026 0.000) 2.026 3.293 ( 0.000 -8.297 0.000) 8.297 3.293 ( 0.000 8.297 0.000) 8.297 3.632 ( 0.000 -1.785 0.000) 1.785 3.632 ( 0.000 1.785 0.000) 1.785 4.095 ( 0.000 -21.901 0.000) 21.901 4.095 ( 0.000 21.901 0.000) 21.901 4.179 ( 0.000 -12.851 0.000) 12.851 4.179 ( 0.000 12.851 0.000) 12.851 4.953 ( 0.000 -4.643 0.000) 4.643 4.953 ( 0.000 4.643 0.000) 4.643 5.131 ( 0.000 -10.762 0.000) 10.762 5.131 ( 0.000 10.762 0.000) 10.762 5.216 ( 0.000 -1.345 0.000) 1.345 5.216 ( 0.000 1.345 0.000) 1.345 5.466 ( 0.000 -4.322 0.000) 4.322 5.466 ( 0.000 4.322 0.000) 4.322 6.250 ( 0.000 -2.989 0.000) 2.989 6.250 ( 0.000 2.989 0.000) 2.989 6.393 ( 0.000 -3.219 0.000) 3.219 6.393 ( 0.000 3.219 0.000) 3.219 7.598 ( 0.000 -4.585 0.000) 4.585 7.598 ( 0.000 4.585 0.000) 4.585 7.619 ( 0.000 -2.867 0.000) 2.867 7.619 ( 0.000 2.867 0.000) 2.867 8.214 ( 0.000 -2.345 0.000) 2.345 8.214 ( 0.000 2.345 0.000) 2.345 9.046 ( 0.000 -6.008 0.000) 6.008 9.046 ( 0.000 6.008 0.000) 6.008 9.663 ( 0.000 -5.027 0.000) 5.027 9.663 ( 0.000 5.027 0.000) 5.027 10.144 ( 0.000 -16.253 0.000) 16.253 10.144 ( 0.000 16.253 0.000) 16.253 10.461 ( 0.000 -9.792 0.000) 9.792 10.461 ( 0.000 9.792 0.000) 9.792 11.115 ( 0.000 -2.009 0.000) 2.009 11.115 ( 0.000 2.009 0.000) 2.009 12.054 ( 0.000 -2.068 0.000) 2.068 12.054 ( 0.000 2.068 0.000) 2.068 15.497 ( 0.000 -0.234 0.000) 0.234 15.497 ( 0.000 0.234 0.000) 0.234 16.029 ( 0.000 -0.500 0.000) 0.500 16.029 ( 0.000 0.500 0.000) 0.500 16.176 ( 0.000 -2.140 0.000) 2.140 16.176 ( 0.000 2.140 0.000) 2.140 16.810 ( 0.000 -1.096 0.000) 1.096 16.810 ( 0.000 1.096 0.000) 1.096 19.155 ( 0.000 -1.471 0.000) 1.471 19.155 ( 0.000 1.471 0.000) 1.471 20.129 ( 0.000 -1.278 0.000) 1.278 20.129 ( 0.000 1.278 0.000) 1.278 ======================= Grid point 46 (26/160) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -3.064 -13.305 -4.161) 14.273 2.222 ( -3.064 13.305 -4.161) 14.273 2.350 ( 0.615 -16.111 1.944) 16.239 2.350 ( 0.615 16.111 1.944) 16.239 2.621 ( -2.738 -4.106 -0.022) 4.935 2.621 ( -2.738 4.106 -0.022) 4.935 2.685 ( -0.316 -0.866 2.293) 2.471 2.685 ( -0.316 0.866 2.293) 2.471 3.075 ( 2.741 -5.745 -8.866) 10.914 3.075 ( 2.741 5.745 -8.866) 10.914 3.355 ( 1.897 -4.152 7.495) 8.776 3.355 ( 1.897 4.152 7.495) 8.776 3.616 ( -4.141 -4.595 4.075) 7.407 3.616 ( -4.141 4.595 4.075) 7.407 4.129 ( -6.423 -13.742 0.861) 15.193 4.129 ( -6.423 13.742 0.861) 15.193 4.209 ( 4.118 -19.192 9.016) 21.601 4.209 ( 4.118 19.193 9.016) 21.601 4.813 ( -8.977 -1.888 -3.786) 9.924 4.813 ( -8.977 1.888 -3.786) 9.924 5.056 ( -5.123 -7.494 -0.930) 9.126 5.056 ( -5.123 7.494 -0.930) 9.126 5.294 ( 6.708 -5.620 -1.927) 8.961 5.294 ( 6.708 5.620 -1.927) 8.961 5.528 ( 5.358 -5.301 0.157) 7.539 5.528 ( 5.358 5.301 0.157) 7.539 6.081 ( -10.160 -2.626 -1.864) 10.658 6.081 ( -10.160 2.626 -1.864) 10.658 6.594 ( 14.776 -10.476 0.290) 18.115 6.594 ( 14.776 10.476 0.290) 18.115 7.550 ( -2.177 -3.384 -2.822) 4.915 7.550 ( -2.177 3.384 -2.822) 4.915 7.650 ( 4.374 -7.411 -2.122) 8.863 7.650 ( 4.374 7.411 -2.122) 8.863 8.262 ( 0.906 -4.768 5.865) 7.613 8.262 ( 0.906 4.768 5.865) 7.613 9.069 ( 1.410 -6.793 1.640) 7.129 9.069 ( 1.410 6.793 1.640) 7.129 9.629 ( -5.943 -7.433 2.434) 9.823 9.629 ( -5.943 7.433 2.434) 9.823 10.090 ( -0.679 -15.016 -7.426) 16.766 10.090 ( -0.679 15.016 -7.426) 16.766 10.349 ( -9.599 -9.585 0.284) 13.568 10.349 ( -9.599 9.585 0.284) 13.568 11.284 ( 12.980 -2.065 4.311) 13.832 11.284 ( 12.980 2.065 4.311) 13.832 12.062 ( 2.437 -1.666 -2.250) 3.712 12.062 ( 2.437 1.666 -2.250) 3.712 15.551 ( 6.193 -0.759 -0.117) 6.241 15.551 ( 6.193 0.759 -0.117) 6.241 15.909 ( -2.996 -1.028 -8.895) 9.442 15.909 ( -2.996 1.028 -8.895) 9.442 16.289 ( 2.961 -1.973 7.686) 8.470 16.289 ( 2.961 1.973 7.686) 8.470 16.748 ( -7.217 -2.801 0.506) 7.758 16.748 ( -7.217 2.801 0.506) 7.758 19.168 ( 2.557 -1.519 -1.738) 3.445 19.168 ( 2.557 1.519 -1.738) 3.445 20.133 ( -0.608 -1.275 1.360) 1.961 20.133 ( -0.608 1.275 1.360) 1.961 ======================= Grid point 48 (27/160) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -1.219 -10.266 -1.791) 10.492 2.138 ( -1.219 10.266 -1.791) 10.492 2.407 ( 2.394 -12.449 2.478) 12.917 2.407 ( 2.394 12.449 2.478) 12.917 2.500 ( -6.387 -3.009 -2.086) 7.362 2.500 ( -6.387 3.009 -2.086) 7.362 2.784 ( 2.167 -2.634 7.577) 8.310 2.784 ( 2.167 2.634 7.577) 8.310 2.977 ( 1.972 -7.172 -12.828) 14.828 2.977 ( 1.972 7.172 -12.828) 14.828 3.425 ( -1.214 -4.183 -2.813) 5.185 3.425 ( -1.214 4.183 -2.813) 5.185 3.623 ( -6.611 -3.939 13.869) 15.861 3.623 ( -6.611 3.939 13.869) 15.861 3.978 ( -13.966 -13.654 3.423) 19.830 3.978 ( -13.966 13.654 3.423) 19.830 4.351 ( -1.991 -19.848 8.735) 21.776 4.351 ( -1.991 19.848 8.735) 21.776 4.644 ( -3.199 -5.065 -3.853) 7.122 4.644 ( -3.199 5.065 -3.853) 7.122 5.049 ( 3.966 -5.490 2.231) 7.131 5.049 ( 3.966 5.490 2.231) 7.131 5.346 ( 3.936 -7.235 -4.110) 9.205 5.346 ( 3.936 7.235 -4.110) 9.205 5.591 ( 2.051 -3.940 -2.263) 4.985 5.591 ( 2.051 3.940 -2.263) 4.985 5.933 ( -3.564 -0.711 -1.064) 3.787 5.933 ( -3.564 0.711 -1.064) 3.787 6.833 ( 12.339 -9.680 -0.443) 15.689 6.833 ( 12.339 9.680 -0.443) 15.689 7.499 ( 2.419 -3.015 -4.151) 5.672 7.499 ( 2.419 3.015 -4.151) 5.672 7.709 ( 3.018 -7.130 1.072) 7.816 7.709 ( 3.018 7.130 1.072) 7.816 8.357 ( 0.992 -5.050 5.835) 7.780 8.357 ( 0.992 5.050 5.835) 7.780 9.121 ( 1.569 -7.951 1.507) 8.243 9.121 ( 1.569 7.951 1.507) 8.243 9.512 ( -8.989 -10.267 0.094) 13.646 9.512 ( -8.989 10.267 0.094) 13.646 9.972 ( -2.884 -8.155 -5.247) 10.117 9.972 ( -2.884 8.155 -5.247) 10.117 10.217 ( -6.481 -9.979 1.149) 11.954 10.217 ( -6.481 9.979 1.149) 11.954 11.569 ( 13.222 -2.952 3.677) 14.037 11.569 ( 13.222 2.952 3.677) 14.037 12.079 ( 3.813 -0.760 -4.009) 5.585 12.079 ( 3.813 0.760 -4.009) 5.585 15.689 ( 8.874 -3.265 -0.654) 9.478 15.689 ( 8.874 3.265 -0.654) 9.478 15.769 ( -0.947 -3.022 -6.571) 7.295 15.769 ( -0.947 3.022 -6.571) 7.295 16.405 ( 0.577 -4.309 4.566) 6.305 16.405 ( 0.577 4.309 4.566) 6.305 16.605 ( -9.029 -6.550 1.426) 11.245 16.605 ( -9.029 6.550 1.426) 11.245 19.195 ( 3.233 -1.016 -2.248) 4.067 19.195 ( 3.233 1.016 -2.248) 4.067 20.140 ( -0.970 -1.112 1.944) 2.441 20.140 ( -0.970 1.112 1.944) 2.441 ======================= Grid point 50 (28/160) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -0.774 -4.565 4.760) 6.640 2.144 ( -0.774 4.565 4.760) 6.640 2.413 ( -0.631 -4.255 -0.418) 4.322 2.413 ( -0.631 4.255 -0.418) 4.322 2.483 ( 4.183 -6.784 0.535) 7.988 2.483 ( 4.183 6.784 0.535) 7.988 2.845 ( 1.131 -7.885 -12.231) 14.596 2.845 ( 1.131 7.885 -12.231) 14.596 2.909 ( 0.982 -4.440 7.062) 8.399 2.909 ( 0.982 4.440 7.062) 8.399 3.286 ( -6.405 -5.064 -5.591) 9.896 3.286 ( -6.405 5.064 -5.591) 9.896 3.628 ( -10.060 -3.242 7.253) 12.819 3.628 ( -10.060 3.242 7.253) 12.819 3.748 ( -16.644 -11.207 3.018) 20.291 3.748 ( -16.644 11.207 3.018) 20.291 4.387 ( -1.778 -9.993 6.945) 12.298 4.387 ( -1.778 9.993 6.945) 12.298 4.644 ( 2.422 -3.743 2.693) 5.209 4.644 ( 2.422 3.743 2.693) 5.209 5.136 ( 1.310 -4.986 -0.628) 5.194 5.136 ( 1.310 4.986 -0.628) 5.194 5.338 ( 2.149 -8.297 -7.299) 11.258 5.338 ( 2.149 8.297 -7.299) 11.258 5.611 ( 4.394 -2.136 2.814) 5.638 5.611 ( 4.394 2.136 2.814) 5.638 5.918 ( 1.160 -0.429 -0.798) 1.472 5.918 ( 1.160 0.429 -0.798) 1.472 7.000 ( 8.078 -4.830 0.005) 9.412 7.000 ( 8.078 4.830 0.005) 9.412 7.543 ( 6.434 -6.382 -2.668) 9.447 7.543 ( 6.434 6.382 -2.668) 9.447 7.775 ( 1.602 -7.205 3.309) 8.089 7.775 ( 1.602 7.205 3.309) 8.089 8.404 ( -1.745 -3.058 1.751) 3.932 8.404 ( -1.745 3.058 1.751) 3.932 9.104 ( -4.471 -4.003 -1.479) 6.181 9.104 ( -4.471 4.003 -1.479) 6.181 9.394 ( -1.426 -4.937 -1.786) 5.440 9.394 ( -1.426 4.937 -1.786) 5.440 9.897 ( -3.298 -1.863 1.951) 4.261 9.897 ( -3.298 1.863 1.951) 4.261 10.145 ( -3.390 -6.126 0.495) 7.018 10.145 ( -3.390 6.126 0.495) 7.018 11.798 ( 9.300 -2.454 1.760) 9.778 11.798 ( 9.300 2.454 1.760) 9.778 12.094 ( 3.856 -0.209 -4.348) 5.815 12.094 ( 3.856 0.209 -4.348) 5.815 15.662 ( -0.317 -0.906 -4.731) 4.827 15.662 ( -0.317 0.906 -4.731) 4.827 15.885 ( 9.748 -0.865 1.239) 9.864 15.885 ( 9.748 0.865 1.239) 9.864 16.344 ( -7.880 -1.887 -1.249) 8.199 16.344 ( -7.880 1.887 -1.249) 8.199 16.565 ( -0.734 -4.665 3.687) 5.991 16.565 ( -0.734 4.665 3.687) 5.991 19.219 ( 2.229 -0.332 -1.646) 2.791 19.219 ( 2.229 0.332 -1.646) 2.791 20.145 ( -0.940 -0.656 1.622) 1.986 20.145 ( -0.940 0.656 1.622) 1.986 ======================= Grid point 52 (29/160) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -1.078 -1.263 9.875) 10.014 2.213 ( -1.078 1.263 9.875) 10.014 2.444 ( 2.195 -3.961 -3.055) 5.463 2.444 ( 2.195 3.961 -3.055) 5.463 2.575 ( 7.658 -2.830 -0.012) 8.164 2.575 ( 7.658 2.830 -0.012) 8.164 2.740 ( 3.213 -6.003 -8.819) 11.141 2.740 ( 3.213 6.003 -8.819) 11.141 2.981 ( -1.861 -8.543 5.145) 10.145 2.981 ( -1.861 8.543 5.145) 10.145 3.109 ( -7.202 -7.622 -4.255) 11.317 3.109 ( -7.202 7.622 -4.255) 11.317 3.478 ( -11.504 -2.589 2.761) 12.111 3.478 ( -11.504 2.589 2.761) 12.111 3.521 ( -10.335 -4.423 -0.646) 11.261 3.521 ( -10.335 4.423 -0.646) 11.261 4.478 ( 1.228 -1.515 6.661) 6.941 4.478 ( 1.228 1.515 6.661) 6.941 4.738 ( 2.510 -1.722 4.555) 5.478 4.738 ( 2.510 1.722 4.555) 5.478 5.094 ( -2.035 -2.837 -2.138) 4.094 5.094 ( -2.035 2.837 -2.138) 4.094 5.247 ( 0.381 -5.492 -9.347) 10.848 5.247 ( 0.381 5.492 -9.347) 10.848 5.784 ( 5.151 -1.363 6.806) 8.643 5.784 ( 5.151 1.363 6.806) 8.643 5.921 ( 1.222 -0.682 -1.948) 2.399 5.921 ( 1.222 0.682 -1.948) 2.399 7.136 ( 6.470 -9.061 2.040) 11.319 7.136 ( 6.470 9.061 2.040) 11.319 7.597 ( 2.467 -8.896 -2.759) 9.635 7.597 ( 2.467 8.896 -2.759) 9.635 7.842 ( 1.273 -4.798 3.382) 6.006 7.842 ( 1.273 4.798 3.382) 6.006 8.338 ( -4.081 -1.879 -2.303) 5.049 8.338 ( -4.081 1.879 -2.303) 5.049 9.003 ( -3.351 -1.894 -1.235) 4.042 9.003 ( -3.351 1.894 -1.235) 4.042 9.388 ( 1.293 -1.073 -1.330) 2.143 9.388 ( 1.293 1.073 -1.330) 2.143 9.897 ( -0.815 -2.241 2.905) 3.758 9.897 ( -0.815 2.241 2.905) 3.758 10.106 ( -2.189 -2.309 0.832) 3.289 10.106 ( -2.189 2.309 0.832) 3.289 11.923 ( 4.146 -1.128 -0.091) 4.298 11.923 ( 4.146 1.128 -0.091) 4.298 12.111 ( 2.839 -0.698 -2.366) 3.761 12.111 ( 2.839 0.698 -2.366) 3.761 15.624 ( 0.459 -0.602 -2.148) 2.277 15.624 ( 0.459 0.602 -2.148) 2.277 16.045 ( 5.086 -1.095 3.206) 6.111 16.045 ( 5.086 1.095 3.206) 6.111 16.206 ( -3.911 -1.105 -3.344) 5.263 16.206 ( -3.911 1.105 -3.344) 5.263 16.591 ( -0.492 -1.622 1.740) 2.429 16.591 ( -0.492 1.622 1.740) 2.429 19.231 ( 0.899 -0.684 -0.741) 1.351 19.231 ( 0.899 0.684 -0.741) 1.351 20.147 ( -0.559 -0.352 0.833) 1.063 20.147 ( -0.559 0.352 0.833) 1.063 ======================= Grid point 54 (30/160) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -0.000 -1.616 -0.000) 1.616 2.344 ( -0.000 1.616 -0.000) 1.616 2.350 ( 0.000 -0.035 0.000) 0.035 2.350 ( 0.000 0.035 0.000) 0.035 2.690 ( -0.000 -1.422 -0.000) 1.422 2.690 ( -0.000 1.422 -0.000) 1.422 2.743 ( 0.000 -0.851 0.000) 0.851 2.743 ( 0.000 0.851 0.000) 0.851 2.959 ( 0.000 -9.934 0.000) 9.934 2.959 ( 0.000 9.934 0.000) 9.934 3.004 ( 0.000 -7.487 0.000) 7.487 3.004 ( 0.000 7.487 0.000) 7.487 3.393 ( -0.000 -0.416 0.000) 0.416 3.393 ( 0.000 0.416 0.000) 0.416 3.415 ( 0.000 -0.716 0.000) 0.716 3.415 ( -0.000 0.716 -0.000) 0.716 4.536 ( 0.000 -2.994 0.000) 2.994 4.536 ( 0.000 2.994 0.000) 2.994 4.799 ( 0.000 -1.763 0.000) 1.763 4.799 ( 0.000 1.763 0.000) 1.763 5.060 ( 0.000 -0.850 -0.000) 0.850 5.060 ( 0.000 0.850 -0.000) 0.850 5.179 ( 0.000 -1.313 0.000) 1.313 5.179 ( 0.000 1.313 0.000) 1.313 5.872 ( 0.000 -1.495 -0.000) 1.495 5.872 ( 0.000 1.495 -0.000) 1.495 5.924 ( 0.000 -2.103 0.000) 2.103 5.924 ( 0.000 2.103 0.000) 2.103 7.225 ( 0.000 -12.259 0.000) 12.259 7.225 ( 0.000 12.259 0.000) 12.259 7.583 ( 0.000 -7.419 0.000) 7.419 7.583 ( 0.000 7.419 0.000) 7.419 7.878 ( 0.000 -1.931 0.000) 1.931 7.878 ( 0.000 1.931 0.000) 1.931 8.278 ( -0.000 -1.004 0.000) 1.004 8.278 ( 0.000 1.004 0.000) 1.004 8.970 ( 0.000 -1.061 0.000) 1.061 8.970 ( 0.000 1.061 0.000) 1.061 9.390 ( 0.000 -1.778 0.000) 1.778 9.390 ( 0.000 1.778 0.000) 1.778 9.912 ( -0.000 -0.744 0.000) 0.744 9.912 ( 0.000 0.744 0.000) 0.744 10.091 ( 0.000 -0.468 0.000) 0.468 10.091 ( 0.000 0.468 0.000) 0.468 11.953 ( 0.000 -1.497 0.000) 1.497 11.953 ( 0.000 1.497 -0.000) 1.497 12.124 ( 0.000 -0.167 0.000) 0.167 12.124 ( 0.000 0.167 0.000) 0.167 15.617 ( 0.000 -0.646 0.000) 0.646 15.617 ( 0.000 0.646 0.000) 0.646 16.112 ( 0.000 -3.916 0.000) 3.916 16.112 ( 0.000 3.916 0.000) 3.916 16.150 ( 0.000 -1.034 -0.000) 1.034 16.150 ( -0.000 1.034 -0.000) 1.034 16.595 ( 0.000 -0.802 0.000) 0.802 16.595 ( 0.000 0.802 0.000) 0.802 19.234 ( 0.000 -0.832 0.000) 0.832 19.234 ( 0.000 0.832 0.000) 0.832 20.147 ( 0.000 -0.437 0.000) 0.437 20.147 ( 0.000 0.437 0.000) 0.437 ======================= Grid point 99 (31/160) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -4.366 0.000 28.079) 28.417 0.621 ( 0.677 0.000 30.334) 30.342 1.138 ( 1.142 0.000 55.015) 55.027 2.219 ( 0.377 0.000 -6.780) 6.790 2.537 ( 1.011 0.000 -14.438) 14.473 2.881 ( 0.564 0.000 -2.470) 2.534 2.946 ( -2.038 0.000 4.764) 5.182 3.182 ( -0.014 0.000 -6.292) 6.292 3.264 ( 0.891 0.000 -3.178) 3.301 3.365 ( -0.289 0.000 7.059) 7.065 3.456 ( 1.860 0.000 14.961) 15.076 3.579 ( 0.031 0.000 6.969) 6.969 3.602 ( -0.036 0.000 -1.797) 1.798 4.019 ( -1.662 0.000 -7.232) 7.420 4.022 ( 2.918 0.000 -1.969) 3.520 4.118 ( -0.899 0.000 9.209) 9.253 4.149 ( 4.478 0.000 -7.444) 8.687 4.228 ( 1.631 0.000 -10.174) 10.304 4.406 ( -5.757 0.000 0.723) 5.802 4.650 ( -0.863 0.000 3.167) 3.283 5.035 ( -6.434 0.000 -7.966) 10.240 5.207 ( 3.626 0.000 -1.335) 3.864 5.340 ( 23.144 0.000 -3.633) 23.427 5.406 ( 1.864 0.000 6.664) 6.920 5.559 ( -6.992 0.000 -0.211) 6.995 5.697 ( -6.027 0.000 10.003) 11.678 5.899 ( -14.552 0.000 -5.355) 15.506 6.292 ( 2.245 0.000 6.711) 7.077 6.491 ( -14.775 0.000 -9.700) 17.674 6.713 ( 14.497 0.000 -0.208) 14.498 6.770 ( -1.502 0.000 -0.860) 1.731 7.126 ( 5.065 0.000 -6.022) 7.869 7.646 ( -0.275 0.000 1.845) 1.865 7.682 ( -0.952 0.000 1.970) 2.188 8.195 ( 0.920 0.000 -2.787) 2.935 8.392 ( 1.603 0.000 -7.863) 8.025 8.647 ( -0.535 0.000 3.563) 3.603 8.757 ( 2.796 0.000 6.819) 7.370 9.392 ( -5.875 0.000 -1.223) 6.001 9.444 ( 0.617 0.000 -3.552) 3.605 10.094 ( 1.811 0.000 0.746) 1.959 10.254 ( 1.497 0.000 7.635) 7.780 10.554 ( -2.770 0.000 -2.825) 3.956 10.984 ( -3.561 0.000 -2.497) 4.349 10.998 ( 2.338 0.000 7.203) 7.573 11.492 ( -1.728 0.000 4.035) 4.389 11.871 ( 1.981 0.000 -6.241) 6.548 11.969 ( -1.607 0.000 -2.440) 2.921 16.000 ( 6.060 0.000 -0.040) 6.060 16.022 ( -3.169 0.000 -1.692) 3.592 16.058 ( 0.834 0.000 -0.825) 1.173 16.098 ( -8.786 0.000 -0.944) 8.837 16.131 ( 9.610 0.000 0.555) 9.626 16.144 ( -0.848 0.000 -0.032) 0.849 16.348 ( 1.473 0.000 1.632) 2.199 16.509 ( -3.415 0.000 -0.501) 3.452 19.064 ( -0.518 0.000 -2.122) 2.184 19.151 ( 0.776 0.000 -2.077) 2.218 20.140 ( -0.187 0.000 2.988) 2.994 20.193 ( 0.076 0.000 1.381) 1.383 ======================= Grid point 100 (32/160) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 13.558 0.000 22.090) 25.919 1.107 ( 13.448 0.000 25.173) 28.540 1.964 ( 19.695 0.000 43.166) 47.447 2.159 ( 4.905 0.000 -12.349) 13.287 2.394 ( 5.667 0.000 -17.114) 18.028 2.856 ( -1.173 0.000 -0.945) 1.506 2.950 ( -3.776 0.000 4.385) 5.787 3.100 ( -0.210 0.000 -6.386) 6.389 3.128 ( -11.226 0.000 -1.873) 11.381 3.506 ( 4.085 0.000 7.549) 8.583 3.517 ( -11.096 0.000 6.179) 12.700 3.561 ( -1.444 0.000 1.463) 2.055 3.682 ( -4.021 0.000 15.946) 16.445 3.931 ( 3.300 0.000 -7.770) 8.442 3.967 ( -10.939 0.000 -5.865) 12.412 4.054 ( -2.034 0.000 -8.691) 8.926 4.056 ( -8.647 0.000 11.584) 14.456 4.157 ( 8.877 0.000 -13.341) 16.024 4.465 ( 3.327 0.000 6.158) 7.000 4.667 ( 2.800 0.000 -2.204) 3.563 4.876 ( -2.577 0.000 -8.238) 8.631 5.285 ( 3.027 0.000 3.303) 4.480 5.320 ( -13.656 0.000 -3.232) 14.033 5.572 ( 0.326 0.000 0.749) 0.817 5.640 ( 6.628 0.000 13.524) 15.061 5.726 ( 9.324 0.000 -13.900) 16.737 5.739 ( 2.058 0.000 6.441) 6.762 6.194 ( -8.623 0.000 -7.830) 11.648 6.371 ( -3.712 0.000 4.751) 6.029 6.697 ( -4.478 0.000 0.182) 4.482 6.796 ( -6.789 0.000 1.528) 6.959 7.124 ( 10.366 0.000 -9.494) 14.056 7.681 ( 0.892 0.000 2.731) 2.873 7.700 ( 0.992 0.000 2.111) 2.332 8.175 ( 0.504 0.000 -1.828) 1.896 8.286 ( -0.298 0.000 -8.972) 8.977 8.743 ( 5.487 0.000 4.597) 7.158 8.850 ( 0.105 0.000 4.485) 4.486 9.269 ( -6.004 0.000 4.482) 7.492 9.401 ( 0.181 0.000 -3.641) 3.646 10.089 ( -3.692 0.000 1.689) 4.060 10.303 ( -10.337 0.000 4.844) 11.416 10.443 ( -1.870 0.000 -0.261) 1.888 10.876 ( -6.111 0.000 -2.014) 6.435 11.189 ( 10.251 0.000 6.767) 12.283 11.761 ( 17.921 0.000 -1.788) 18.010 11.830 ( 3.747 0.000 -8.253) 9.064 11.969 ( 5.609 0.000 -3.826) 6.789 15.838 ( -13.972 0.000 -1.447) 14.047 15.839 ( -14.506 0.000 1.442) 14.578 15.895 ( -9.075 0.000 -5.391) 10.555 15.975 ( -12.869 0.000 1.077) 12.914 16.252 ( 9.721 0.000 -0.427) 9.730 16.341 ( 10.978 0.000 0.298) 10.982 16.433 ( 3.613 0.000 5.991) 6.996 16.548 ( 6.809 0.000 -0.711) 6.846 19.053 ( 2.712 0.000 -3.455) 4.392 19.157 ( 2.831 0.000 -2.865) 4.028 20.162 ( -1.524 0.000 3.074) 3.431 20.196 ( -1.750 0.000 1.797) 2.509 ======================= Grid point 101 (33/160) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 14.877 0.000 16.492) 22.211 1.633 ( 15.228 0.000 20.268) 25.351 2.068 ( 4.046 0.000 -14.445) 15.001 2.258 ( 7.423 0.000 -18.037) 19.505 2.733 ( 12.781 0.000 13.141) 18.332 2.772 ( -8.092 0.000 -1.704) 8.270 2.922 ( 0.745 0.000 1.619) 1.782 2.980 ( -3.876 0.000 3.426) 5.173 3.092 ( 1.344 0.000 11.594) 11.671 3.343 ( -18.109 0.000 7.056) 19.435 3.483 ( -6.353 0.000 -2.520) 6.835 3.577 ( -17.964 0.000 -2.411) 18.126 3.624 ( -4.887 0.000 -9.605) 10.777 3.800 ( 11.382 0.000 12.090) 16.605 3.965 ( 4.493 0.000 -6.702) 8.068 3.991 ( 4.629 0.000 1.611) 4.901 4.130 ( 0.153 0.000 8.593) 8.595 4.207 ( 8.992 0.000 -5.500) 10.541 4.539 ( 2.187 0.000 -3.621) 4.230 4.699 ( -7.698 0.000 -5.791) 9.633 4.747 ( 5.160 0.000 4.821) 7.062 5.095 ( -5.462 0.000 -7.567) 9.333 5.366 ( 0.724 0.000 4.226) 4.288 5.429 ( -8.668 0.000 -5.270) 10.145 5.735 ( -5.748 0.000 9.275) 10.912 5.754 ( 4.997 0.000 -8.409) 9.782 5.996 ( 2.570 0.000 10.143) 10.463 6.011 ( -4.625 0.000 -4.119) 6.193 6.282 ( -5.461 0.000 0.913) 5.537 6.621 ( -11.483 0.000 -1.956) 11.649 6.686 ( 2.236 0.000 3.004) 3.744 7.182 ( 8.309 0.000 -8.742) 12.061 7.713 ( -0.668 0.000 0.598) 0.896 7.776 ( 5.123 0.000 0.620) 5.160 8.196 ( 2.829 0.000 1.870) 3.391 8.206 ( 3.553 0.000 -7.731) 8.508 8.897 ( 5.741 0.000 1.942) 6.061 8.899 ( 0.221 0.000 4.285) 4.291 9.272 ( -1.053 0.000 4.514) 4.635 9.417 ( 5.860 0.000 0.266) 5.866 10.017 ( -5.839 0.000 0.094) 5.840 10.056 ( -13.904 0.000 -4.873) 14.733 10.465 ( -4.530 0.000 7.688) 8.924 10.724 ( -7.752 0.000 -3.185) 8.381 11.477 ( 12.646 0.000 7.144) 14.525 11.813 ( 6.610 0.000 -9.265) 11.381 11.996 ( 11.065 0.000 -0.339) 11.070 12.046 ( 7.412 0.000 -2.451) 7.807 15.574 ( -14.297 0.000 -1.270) 14.353 15.613 ( -13.312 0.000 1.279) 13.373 15.651 ( -9.555 0.000 -6.576) 11.600 15.760 ( -12.817 0.000 1.508) 12.906 16.395 ( 7.289 0.000 -0.492) 7.306 16.504 ( 7.499 0.000 0.502) 7.515 16.598 ( 4.856 0.000 7.847) 9.228 16.642 ( 4.515 0.000 -0.565) 4.550 19.071 ( 3.567 0.000 -2.553) 4.387 19.159 ( 2.000 0.000 -4.099) 4.561 20.159 ( -2.358 0.000 2.032) 3.113 20.180 ( -2.476 0.000 1.699) 3.003 ======================= Grid point 102 (34/160) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 10.685 0.000 11.661) 15.816 1.980 ( 7.095 0.000 -7.464) 10.298 2.125 ( 13.213 0.000 13.323) 18.764 2.188 ( 9.171 0.000 -16.017) 18.457 2.605 ( -10.227 0.000 2.408) 10.506 2.715 ( -2.569 0.000 -5.105) 5.715 2.903 ( -10.501 0.000 -3.875) 11.193 2.997 ( -5.230 0.000 3.260) 6.163 3.095 ( -13.731 0.000 3.792) 14.245 3.110 ( -11.990 0.000 -3.088) 12.382 3.337 ( -3.186 0.000 9.170) 9.708 3.392 ( -5.847 0.000 -11.129) 12.572 3.716 ( 14.770 0.000 10.259) 17.983 4.000 ( 12.634 0.000 -13.144) 18.231 4.098 ( 5.908 0.000 0.599) 5.938 4.158 ( 9.644 0.000 6.709) 11.748 4.279 ( 8.003 0.000 13.119) 15.367 4.294 ( 9.672 0.000 -6.814) 11.831 4.499 ( 0.693 0.000 -5.171) 5.218 4.536 ( -4.163 0.000 -0.629) 4.211 4.891 ( -0.361 0.000 9.670) 9.677 4.915 ( -5.042 0.000 -8.384) 9.783 5.232 ( -6.322 0.000 -4.125) 7.549 5.399 ( -2.109 0.000 1.879) 2.825 5.632 ( -9.371 0.000 -6.768) 11.559 5.674 ( -12.334 0.000 6.682) 14.027 5.934 ( -0.140 0.000 -1.925) 1.930 5.972 ( -6.399 0.000 3.337) 7.216 6.244 ( -7.518 0.000 4.210) 8.617 6.390 ( -9.982 0.000 -4.310) 10.873 6.892 ( 11.940 0.000 7.478) 14.089 7.208 ( 5.720 0.000 -6.436) 8.611 7.661 ( -3.386 0.000 -2.391) 4.145 7.855 ( 3.381 0.000 -0.162) 3.385 8.233 ( 10.201 0.000 -8.001) 12.965 8.324 ( 6.914 0.000 4.472) 8.234 8.970 ( 3.778 0.000 -1.176) 3.957 8.972 ( 1.278 0.000 5.735) 5.875 9.317 ( -0.538 0.000 4.431) 4.464 9.555 ( 2.383 0.000 -1.453) 2.791 9.806 ( -4.462 0.000 -1.185) 4.617 9.898 ( -5.866 0.000 -2.692) 6.454 10.447 ( -7.258 0.000 6.295) 9.608 10.548 ( -7.582 0.000 -3.490) 8.347 11.769 ( 11.251 0.000 6.418) 12.953 11.831 ( 7.634 0.000 -7.989) 11.050 12.131 ( 4.512 0.000 0.392) 4.529 12.148 ( 5.420 0.000 0.281) 5.427 15.339 ( -11.141 0.000 -0.868) 11.175 15.423 ( -10.095 0.000 0.823) 10.129 15.450 ( -6.529 0.000 -2.923) 7.154 15.590 ( -9.628 0.000 2.544) 9.959 16.487 ( 4.277 0.000 -0.626) 4.323 16.611 ( 4.273 0.000 0.408) 4.293 16.687 ( 2.629 0.000 -1.920) 3.256 16.749 ( 3.047 0.000 4.623) 5.537 19.112 ( 2.975 0.000 -0.180) 2.980 19.132 ( 0.788 0.000 -3.527) 3.614 20.132 ( -2.490 0.000 0.475) 2.535 20.155 ( -2.182 0.000 0.740) 2.304 ======================= Grid point 103 (35/160) ======================= q-point: ( 0.40 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 8.238 0.000 -5.372) 9.835 2.107 ( 2.176 0.000 6.604) 6.953 2.199 ( 10.045 0.000 -9.760) 14.006 2.435 ( 3.370 0.000 7.218) 7.966 2.500 ( -8.222 0.000 7.514) 11.138 2.525 ( -10.769 0.000 -3.331) 11.273 2.769 ( 5.646 0.000 -1.388) 5.814 2.779 ( -11.534 0.000 -2.099) 11.724 2.988 ( -4.299 0.000 -2.261) 4.858 3.071 ( 1.212 0.000 0.886) 1.502 3.220 ( -3.800 0.000 -2.240) 4.412 3.308 ( -8.334 0.000 4.746) 9.591 3.953 ( 7.301 0.000 -5.021) 8.861 4.024 ( 5.967 0.000 -11.394) 12.862 4.213 ( 9.325 0.000 -3.520) 9.967 4.337 ( 6.849 0.000 8.168) 10.659 4.405 ( 17.496 0.000 -13.754) 22.255 4.475 ( 2.461 0.000 -0.104) 2.463 4.504 ( 5.237 0.000 -0.731) 5.288 4.629 ( -5.916 0.000 1.801) 6.184 4.802 ( 7.624 0.000 6.053) 9.734 4.946 ( -6.267 0.000 9.797) 11.629 5.152 ( -2.172 0.000 3.157) 3.832 5.277 ( -12.674 0.000 0.377) 12.680 5.296 ( -16.140 0.000 -8.501) 18.242 5.580 ( -7.353 0.000 5.719) 9.315 5.931 ( 0.973 0.000 -1.747) 2.000 5.940 ( -0.015 0.000 0.151) 0.152 6.143 ( -8.752 0.000 4.616) 9.895 6.224 ( -4.237 0.000 -0.118) 4.239 7.132 ( 3.817 0.000 5.546) 6.733 7.222 ( 4.391 0.000 -5.935) 7.382 7.590 ( -1.616 0.000 0.634) 1.736 7.895 ( 1.196 0.000 0.857) 1.471 8.330 ( 12.192 0.000 -9.185) 15.264 8.484 ( 5.377 0.000 0.802) 5.437 9.046 ( 6.573 0.000 0.086) 6.574 9.068 ( -0.253 0.000 7.572) 7.576 9.337 ( -4.215 0.000 4.376) 6.076 9.370 ( -9.621 0.000 -5.248) 10.959 9.777 ( -1.260 0.000 -5.496) 5.639 9.908 ( 6.983 0.000 0.824) 7.031 10.372 ( -8.428 0.000 3.712) 9.209 10.407 ( -3.865 0.000 -2.452) 4.577 11.887 ( 7.461 0.000 -4.291) 8.607 12.001 ( 7.457 0.000 4.889) 8.917 12.156 ( -1.502 0.000 -0.303) 1.532 12.223 ( 1.537 0.000 1.969) 2.498 15.185 ( -5.902 0.000 -0.029) 5.902 15.293 ( -5.599 0.000 0.141) 5.600 15.371 ( -2.740 0.000 3.052) 4.102 15.496 ( -6.022 0.000 4.172) 7.326 16.528 ( 2.104 0.000 -1.560) 2.619 16.657 ( 1.296 0.000 -1.088) 1.692 16.691 ( 1.809 0.000 -3.389) 3.842 16.794 ( 0.684 0.000 -2.264) 2.365 19.128 ( 1.300 0.000 0.719) 1.486 19.166 ( 1.488 0.000 2.698) 3.081 20.092 ( -1.532 0.000 -0.971) 1.814 20.124 ( -1.376 0.000 -0.821) 1.603 ======================= Grid point 104 (36/160) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -8.174 0.000 -1.032) 8.239 2.111 ( 6.287 0.000 -3.362) 7.130 2.292 ( 10.362 0.000 -4.462) 11.282 2.390 ( -9.244 0.000 1.524) 9.369 2.427 ( -10.725 0.000 2.877) 11.104 2.559 ( 7.847 0.000 9.721) 12.493 2.676 ( 5.067 0.000 -3.929) 6.411 2.850 ( -1.432 0.000 -3.509) 3.789 2.932 ( 7.438 0.000 -0.761) 7.477 3.085 ( -4.951 0.000 -0.635) 4.991 3.196 ( -7.065 0.000 0.220) 7.069 3.255 ( 7.255 0.000 5.006) 8.814 3.942 ( 1.378 0.000 -10.499) 10.589 3.966 ( 4.115 0.000 -6.592) 7.771 4.300 ( -17.820 0.000 -6.505) 18.970 4.304 ( 7.364 0.000 -5.721) 9.325 4.456 ( 0.121 0.000 1.434) 1.439 4.461 ( -1.542 0.000 -0.110) 1.546 4.690 ( 20.294 0.000 -5.767) 21.097 4.718 ( -2.895 0.000 3.270) 4.367 4.760 ( -6.799 0.000 -4.653) 8.239 4.946 ( -3.177 0.000 4.680) 5.656 5.051 ( 3.448 0.000 4.589) 5.740 5.087 ( -9.951 0.000 5.517) 11.378 5.379 ( 11.740 0.000 7.694) 14.037 5.501 ( -6.264 0.000 0.807) 6.316 5.897 ( 0.340 0.000 -4.322) 4.336 5.898 ( -2.025 0.000 -7.792) 8.051 6.134 ( -2.434 0.000 11.581) 11.834 6.284 ( 3.630 0.000 9.037) 9.739 7.117 ( -6.430 0.000 -2.302) 6.830 7.217 ( 3.811 0.000 -6.157) 7.242 7.647 ( 1.448 0.000 6.720) 6.874 7.925 ( 0.189 0.000 2.284) 2.292 8.410 ( 9.921 0.000 -9.473) 13.717 8.448 ( -4.308 0.000 -7.725) 8.845 9.089 ( -10.295 0.000 7.974) 13.022 9.127 ( -1.578 0.000 0.757) 1.750 9.283 ( -4.026 0.000 1.023) 4.154 9.319 ( 9.104 0.000 2.842) 9.537 9.754 ( 5.228 0.000 -4.259) 6.743 9.946 ( -1.462 0.000 -4.109) 4.362 10.265 ( -5.571 0.000 0.414) 5.587 10.379 ( 3.007 0.000 -0.505) 3.049 11.976 ( 5.534 0.000 0.108) 5.535 12.041 ( -7.098 0.000 -1.312) 7.218 12.171 ( 3.063 0.000 3.331) 4.525 12.246 ( -1.703 0.000 2.083) 2.690 15.143 ( 0.479 0.000 0.865) 0.989 15.238 ( -0.461 0.000 -0.600) 0.756 15.422 ( 0.417 0.000 8.443) 8.453 15.484 ( -2.413 0.000 5.841) 6.320 16.523 ( 1.387 0.000 -4.211) 4.434 16.612 ( -0.740 0.000 -7.510) 7.547 16.673 ( 0.756 0.000 -3.163) 3.252 16.750 ( -0.525 0.000 -3.672) 3.709 19.192 ( 1.678 0.000 4.946) 5.223 19.222 ( -0.420 0.000 4.767) 4.785 20.062 ( 0.153 0.000 -1.828) 1.835 20.090 ( -0.321 0.000 -2.224) 2.247 ======================= Grid point 105 (37/160) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -13.850 0.000 -3.923) 14.395 1.993 ( -15.253 0.000 -8.908) 17.664 2.283 ( 1.927 0.000 4.645) 5.029 2.415 ( 8.353 0.000 -2.543) 8.731 2.444 ( 3.308 0.000 5.646) 6.544 2.762 ( 9.497 0.000 -4.424) 10.477 2.856 ( 5.798 0.000 3.067) 6.560 2.878 ( 12.950 0.000 8.259) 15.360 2.962 ( -5.695 0.000 -2.682) 6.295 3.032 ( 4.359 0.000 -5.019) 6.648 3.115 ( -2.521 0.000 3.025) 3.937 3.372 ( 5.405 0.000 -9.064) 10.553 3.814 ( -26.456 0.000 -6.194) 27.172 3.900 ( 2.004 0.000 1.894) 2.758 3.928 ( -2.023 0.000 -9.361) 9.577 4.156 ( -16.774 0.000 -9.600) 19.327 4.325 ( 0.347 0.000 -1.816) 1.849 4.472 ( 0.772 0.000 0.191) 0.796 4.563 ( 0.855 0.000 1.957) 2.136 4.759 ( -9.573 0.000 4.627) 10.632 4.987 ( -0.426 0.000 3.763) 3.787 4.993 ( 7.671 0.000 6.571) 10.101 5.204 ( 7.138 0.000 5.519) 9.023 5.220 ( 19.197 0.000 -1.041) 19.225 5.415 ( -4.712 0.000 1.657) 4.994 5.643 ( 11.363 0.000 1.210) 11.427 5.732 ( -2.023 0.000 -10.854) 11.041 5.883 ( 4.001 0.000 -2.869) 4.924 6.263 ( -0.308 0.000 11.125) 11.130 6.492 ( 4.077 0.000 11.614) 12.309 6.907 ( -11.104 0.000 -6.407) 12.820 7.221 ( 4.888 0.000 -4.711) 6.789 7.735 ( -0.788 0.000 5.054) 5.115 7.956 ( -1.164 0.000 3.805) 3.979 8.253 ( -4.545 0.000 -7.568) 8.828 8.438 ( 6.280 0.000 -8.670) 10.705 8.926 ( -14.976 0.000 4.417) 15.613 9.109 ( -3.590 0.000 4.420) 5.694 9.241 ( -2.386 0.000 -0.218) 2.396 9.550 ( 8.771 0.000 0.858) 8.813 9.781 ( -5.907 0.000 -4.752) 7.581 9.821 ( 6.227 0.000 -2.285) 6.633 10.224 ( 1.557 0.000 -1.907) 2.462 10.487 ( 8.281 0.000 1.243) 8.374 11.846 ( -12.040 0.000 -2.604) 12.318 12.063 ( 1.696 0.000 3.263) 3.678 12.220 ( -3.375 0.000 1.126) 3.558 12.237 ( -0.477 0.000 3.656) 3.687 15.219 ( 6.569 0.000 1.415) 6.719 15.264 ( 4.797 0.000 -1.211) 4.947 15.554 ( 1.194 0.000 7.641) 7.734 15.580 ( 3.458 0.000 11.797) 12.293 16.473 ( -0.455 0.000 -12.590) 12.598 16.477 ( 1.738 0.000 -7.747) 7.939 16.640 ( -1.297 0.000 -1.760) 2.186 16.693 ( -2.711 0.000 -1.732) 3.217 19.259 ( -2.242 0.000 4.935) 5.421 19.277 ( 0.220 0.000 5.319) 5.324 20.055 ( 1.503 0.000 -1.852) 2.385 20.065 ( 1.137 0.000 -2.745) 2.971 ======================= Grid point 106 (38/160) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -21.942 0.000 -8.263) 23.447 1.550 ( -22.773 0.000 -8.322) 24.247 2.439 ( 2.067 0.000 11.361) 11.548 2.465 ( -4.850 0.000 -7.096) 8.595 2.625 ( 13.130 0.000 0.017) 13.130 2.812 ( -17.344 0.000 -4.317) 17.873 2.848 ( 0.689 0.000 -4.268) 4.323 2.895 ( 8.899 0.000 -2.497) 9.243 2.951 ( -6.423 0.000 3.751) 7.438 3.117 ( 8.360 0.000 7.998) 11.570 3.258 ( 3.208 0.000 -17.109) 17.407 3.314 ( 15.651 0.000 3.736) 16.091 3.441 ( -3.529 0.000 -3.793) 5.181 3.651 ( -10.764 0.000 -11.004) 15.393 3.943 ( -2.631 0.000 -2.800) 3.842 4.017 ( 2.652 0.000 7.032) 7.515 4.288 ( -3.996 0.000 1.811) 4.387 4.469 ( -1.580 0.000 -1.481) 2.166 4.637 ( -8.450 0.000 3.168) 9.025 4.671 ( 8.725 0.000 1.700) 8.890 4.988 ( -5.497 0.000 4.665) 7.210 5.137 ( 1.544 0.000 5.276) 5.497 5.353 ( -1.298 0.000 -2.364) 2.697 5.415 ( 8.228 0.000 6.050) 10.213 5.423 ( 0.571 0.000 -1.826) 1.913 5.716 ( 13.429 0.000 -4.508) 14.165 5.769 ( 8.197 0.000 -7.523) 11.126 5.997 ( 9.819 0.000 1.919) 10.005 6.334 ( -6.467 0.000 6.578) 9.225 6.645 ( -6.316 0.000 -6.399) 8.991 6.648 ( 0.233 0.000 7.096) 7.100 7.284 ( 6.068 0.000 -0.873) 6.130 7.725 ( -3.580 0.000 0.664) 3.641 7.943 ( -6.502 0.000 2.636) 7.016 8.167 ( 0.667 0.000 -1.830) 1.948 8.436 ( 4.454 0.000 -5.222) 6.863 8.744 ( -9.404 0.000 1.554) 9.532 9.059 ( -10.432 0.000 3.666) 11.057 9.187 ( -3.639 0.000 0.138) 3.641 9.464 ( -4.478 0.000 -4.063) 6.046 9.874 ( 11.679 0.000 -1.196) 11.740 9.898 ( 5.896 0.000 -2.321) 6.336 10.266 ( 5.065 0.000 0.013) 5.065 10.658 ( 8.648 0.000 1.632) 8.800 11.584 ( -14.421 0.000 -2.549) 14.645 12.094 ( -3.897 0.000 3.906) 5.517 12.169 ( -2.794 0.000 0.123) 2.796 12.253 ( -3.222 0.000 5.096) 6.030 15.373 ( 9.670 0.000 -1.395) 9.770 15.391 ( 11.243 0.000 1.397) 11.329 15.709 ( 4.214 0.000 10.252) 11.084 15.809 ( 5.324 0.000 12.680) 13.752 16.318 ( 0.519 0.000 -12.500) 12.511 16.396 ( 1.814 0.000 -11.026) 11.175 16.580 ( -4.129 0.000 -0.842) 4.214 16.609 ( -5.188 0.000 -1.171) 5.318 19.260 ( -3.278 0.000 3.142) 4.541 19.308 ( -2.490 0.000 2.698) 3.672 20.066 ( 1.758 0.000 -1.163) 2.108 20.070 ( 2.794 0.000 -1.975) 3.422 ======================= Grid point 107 (39/160) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -26.211 0.000 -6.234) 26.942 1.036 ( -27.695 0.000 -4.073) 27.993 1.817 ( -47.598 0.000 -3.659) 47.738 2.473 ( -7.642 0.000 2.120) 7.930 2.763 ( 4.564 0.000 -1.299) 4.745 2.841 ( -9.294 0.000 2.366) 9.590 2.844 ( 4.261 0.000 -0.225) 4.267 2.949 ( 18.797 0.000 3.301) 19.084 3.068 ( 13.336 0.000 -1.828) 13.461 3.161 ( 5.903 0.000 -9.946) 11.566 3.307 ( 2.434 0.000 2.616) 3.573 3.333 ( -3.675 0.000 -5.574) 6.676 3.481 ( 6.652 0.000 -2.850) 7.237 3.556 ( 3.154 0.000 -0.273) 3.166 3.988 ( 9.117 0.000 1.330) 9.213 4.106 ( 1.114 0.000 1.857) 2.166 4.248 ( -2.750 0.000 0.735) 2.847 4.362 ( -6.574 0.000 -2.243) 6.946 4.578 ( -3.630 0.000 3.460) 5.015 4.857 ( 12.489 0.000 -4.727) 13.354 4.893 ( -10.156 0.000 1.135) 10.219 5.236 ( -0.315 0.000 13.555) 13.559 5.264 ( -0.424 0.000 -7.052) 7.064 5.422 ( -2.746 0.000 5.345) 6.010 5.597 ( 4.987 0.000 3.890) 6.325 5.764 ( 5.141 0.000 -11.536) 12.629 5.811 ( -3.902 0.000 0.468) 3.930 6.217 ( -3.573 0.000 -2.601) 4.419 6.239 ( 14.328 0.000 3.142) 14.669 6.629 ( 4.864 0.000 1.368) 5.053 6.683 ( -2.079 0.000 2.924) 3.588 7.352 ( 0.593 0.000 -1.948) 2.036 7.671 ( -2.767 0.000 0.355) 2.790 7.781 ( -10.516 0.000 -1.920) 10.690 8.185 ( 2.086 0.000 -0.722) 2.207 8.474 ( 5.502 0.000 -5.917) 8.080 8.663 ( -3.727 0.000 4.734) 6.025 8.854 ( -13.423 0.000 0.728) 13.443 9.132 ( -4.437 0.000 3.231) 5.489 9.433 ( 2.081 0.000 -0.960) 2.291 9.969 ( 5.798 0.000 -2.410) 6.279 10.022 ( 8.313 0.000 -2.221) 8.605 10.401 ( 7.749 0.000 2.739) 8.218 10.800 ( 6.014 0.000 0.665) 6.050 11.313 ( -13.765 0.000 -1.287) 13.825 12.025 ( -5.559 0.000 -0.214) 5.563 12.127 ( -4.039 0.000 1.380) 4.268 12.264 ( -2.750 0.000 5.179) 5.864 15.557 ( 13.187 0.000 -1.014) 13.226 15.625 ( 13.907 0.000 1.021) 13.945 15.935 ( 5.501 0.000 12.111) 13.302 16.023 ( 1.937 0.000 9.158) 9.360 16.219 ( 4.415 0.000 -8.332) 9.430 16.272 ( 0.539 0.000 -11.978) 11.990 16.473 ( -7.486 0.000 -0.348) 7.495 16.485 ( -7.832 0.000 -0.887) 7.882 19.224 ( -2.975 0.000 -0.084) 2.976 19.263 ( -4.039 0.000 -0.164) 4.043 20.084 ( 1.230 0.000 -0.100) 1.234 20.110 ( 3.359 0.000 -0.543) 3.403 ======================= Grid point 108 (40/160) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -23.377 0.000 16.489) 28.607 0.575 ( -27.030 0.000 12.383) 29.731 1.041 ( -48.600 0.000 23.382) 53.933 2.330 ( -6.440 0.000 -2.857) 7.045 2.654 ( -4.535 0.000 -3.635) 5.812 2.885 ( 2.307 0.000 -1.886) 2.980 2.887 ( 4.107 0.000 2.820) 4.982 3.197 ( 7.724 0.000 -1.533) 7.874 3.235 ( -3.103 0.000 1.009) 3.263 3.259 ( 10.218 0.000 0.905) 10.258 3.338 ( -0.103 0.000 -0.268) 0.287 3.359 ( 14.304 0.000 7.598) 16.197 3.565 ( 5.767 0.000 1.365) 5.926 3.640 ( 4.438 0.000 11.611) 12.430 4.122 ( 0.483 0.000 -1.389) 1.471 4.134 ( 6.616 0.000 -5.921) 8.879 4.158 ( -2.357 0.000 -6.145) 6.581 4.280 ( -1.177 0.000 -0.921) 1.494 4.565 ( -2.763 0.000 -0.525) 2.813 4.684 ( -11.727 0.000 0.569) 11.741 4.967 ( 9.850 0.000 -3.005) 10.298 5.203 ( 1.854 0.000 -5.123) 5.448 5.391 ( -4.478 0.000 -1.937) 4.879 5.407 ( -6.476 0.000 4.526) 7.901 5.576 ( 0.931 0.000 -3.702) 3.817 5.708 ( -9.484 0.000 8.413) 12.678 5.880 ( 9.836 0.000 13.687) 16.855 6.202 ( 2.242 0.000 0.511) 2.299 6.497 ( 11.776 0.000 -4.054) 12.454 6.741 ( 4.522 0.000 1.012) 4.634 6.745 ( 4.783 0.000 11.155) 12.137 7.112 ( -13.829 0.000 -16.541) 21.560 7.644 ( -1.469 0.000 1.089) 1.828 7.675 ( -1.201 0.000 1.017) 1.573 8.202 ( 1.724 0.000 -2.016) 2.652 8.432 ( 0.714 0.000 -7.318) 7.353 8.683 ( -7.526 0.000 1.806) 7.739 8.692 ( -2.122 0.000 4.336) 4.827 9.190 ( 2.814 0.000 15.008) 15.269 9.456 ( 2.066 0.000 -2.162) 2.990 10.038 ( 5.082 0.000 -1.889) 5.421 10.134 ( 5.263 0.000 2.114) 5.672 10.544 ( 4.706 0.000 1.179) 4.851 10.884 ( 3.573 0.000 0.979) 3.705 11.106 ( -9.374 0.000 0.368) 9.381 11.929 ( -2.245 0.000 -3.601) 4.244 12.053 ( -5.327 0.000 0.003) 5.327 12.148 ( -13.110 0.000 -22.579) 26.109 15.789 ( 14.493 0.000 -0.115) 14.494 15.880 ( 14.461 0.000 0.613) 14.474 15.997 ( 2.454 0.000 -12.007) 12.255 16.057 ( -1.117 0.000 -0.076) 1.120 16.278 ( 2.433 0.000 -0.357) 2.459 16.289 ( -7.454 0.000 5.347) 9.173 16.324 ( -8.190 0.000 0.218) 8.193 16.371 ( 1.246 0.000 15.974) 16.023 19.153 ( -2.603 0.000 -4.669) 5.346 19.189 ( -2.609 0.000 -1.597) 3.059 20.106 ( 0.588 0.000 1.267) 1.397 20.160 ( 2.187 0.000 0.629) 2.276 ======================= Grid point 109 (41/160) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -3.844 23.536 17.006) 29.290 0.960 ( -0.567 21.979 21.285) 30.602 1.552 ( 1.877 35.395 37.711) 51.753 2.308 ( 0.339 7.767 -7.762) 10.985 2.557 ( 0.410 1.598 -11.944) 12.057 2.847 ( 0.246 -3.195 -1.602) 3.583 2.901 ( 0.077 -4.173 1.299) 4.371 3.205 ( 0.880 1.461 -5.740) 5.988 3.227 ( -2.576 -6.288 0.528) 6.816 3.246 ( 3.239 -4.833 1.874) 6.112 3.394 ( -0.608 -7.905 7.302) 10.779 3.567 ( 1.385 -1.106 4.215) 4.573 3.579 ( 1.001 0.632 6.746) 6.849 3.818 ( 1.183 -12.899 17.710) 21.941 3.931 ( -4.287 -8.627 -7.475) 12.194 4.072 ( 6.404 -0.731 -4.502) 7.862 4.169 ( -1.111 2.755 -3.078) 4.277 4.274 ( 2.590 1.800 0.575) 3.206 4.525 ( -3.806 8.421 -7.141) 11.679 4.751 ( -1.681 7.580 0.430) 7.776 4.908 ( 0.148 -5.971 -5.410) 8.058 5.129 ( -3.339 -4.136 -2.823) 6.019 5.340 ( -1.693 -3.164 6.501) 7.426 5.468 ( 11.221 6.240 1.677) 12.948 5.575 ( -1.253 1.725 1.081) 2.390 5.655 ( -5.692 -0.877 2.476) 6.269 5.851 ( -2.025 -3.172 3.604) 5.210 6.315 ( 0.434 0.342 3.954) 3.993 6.477 ( -16.098 -1.473 -9.893) 18.952 6.689 ( 18.052 -0.912 -0.211) 18.076 6.849 ( 0.789 2.783 2.621) 3.903 6.967 ( -1.143 10.305 7.040) 12.532 7.603 ( -0.404 -1.286 -2.360) 2.718 8.119 ( 1.054 -6.646 -2.376) 7.136 8.335 ( -0.274 -4.313 -6.787) 8.046 8.425 ( -4.522 22.818 -19.213) 30.171 8.679 ( 1.830 4.656 0.597) 5.038 8.816 ( 3.921 6.855 0.803) 7.937 9.321 ( 1.589 -2.597 -1.190) 3.269 9.569 ( -6.664 7.173 -2.241) 10.044 10.055 ( 2.274 -3.138 0.009) 3.875 10.169 ( 0.851 -5.844 10.880) 12.379 10.581 ( -2.283 1.565 -5.650) 6.292 10.940 ( 0.154 -4.930 -2.736) 5.640 10.987 ( -2.217 -0.200 10.851) 11.077 11.193 ( 1.966 -8.388 19.930) 21.712 11.895 ( 0.882 1.395 -5.658) 5.894 12.099 ( -0.628 2.966 -8.583) 9.103 15.896 ( -1.057 -2.891 -6.036) 6.776 15.922 ( 2.475 -6.294 -2.403) 7.177 15.961 ( 1.616 -11.206 0.070) 11.322 16.010 ( -4.441 -6.417 -1.530) 7.952 16.109 ( 0.142 3.482 3.051) 4.632 16.335 ( 1.137 5.791 1.233) 6.029 16.495 ( 2.199 8.770 0.941) 9.090 16.606 ( -3.527 6.760 -0.466) 7.639 19.074 ( 1.491 0.311 -3.779) 4.074 19.152 ( 0.498 0.113 -2.336) 2.392 20.151 ( -0.100 0.968 2.669) 2.841 20.179 ( -0.009 -1.171 1.651) 2.024 ======================= Grid point 110 (42/160) ======================= q-point: ( 0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 8.672 14.036 19.643) 25.653 1.304 ( 8.750 14.501 20.634) 26.695 2.214 ( 13.309 18.069 24.242) 33.034 2.230 ( 7.272 9.844 -2.734) 12.541 2.434 ( 5.049 2.918 -14.074) 15.234 2.821 ( -1.138 -2.663 -0.881) 3.027 2.899 ( -4.302 -5.336 2.240) 7.211 3.101 ( -1.069 0.426 -5.118) 5.246 3.130 ( -6.650 -1.038 -3.785) 7.722 3.381 ( 2.837 -8.998 9.455) 13.357 3.421 ( -3.040 -8.450 2.459) 9.311 3.537 ( -5.719 -2.368 1.057) 6.280 3.699 ( -4.135 1.898 15.426) 16.083 3.768 ( -6.075 -12.996 -1.284) 14.403 3.922 ( -4.629 -2.911 2.387) 5.967 4.021 ( -1.077 3.313 -8.354) 9.051 4.061 ( -6.024 0.509 -0.902) 6.112 4.374 ( 7.568 9.838 -2.594) 12.680 4.507 ( 4.364 4.344 2.266) 6.561 4.714 ( 1.470 4.018 -4.901) 6.506 4.836 ( -1.530 -2.968 -6.906) 7.671 5.083 ( -2.200 -8.915 -0.905) 9.227 5.374 ( -4.554 -0.762 6.310) 7.819 5.541 ( -3.705 -0.429 -2.115) 4.287 5.646 ( 5.638 -5.493 4.026) 8.841 5.716 ( 8.533 7.027 5.866) 12.514 5.828 ( 1.849 2.525 -4.846) 5.769 6.151 ( -9.290 -3.031 -7.462) 12.295 6.349 ( -3.147 -2.245 3.555) 5.252 6.862 ( -2.209 12.440 0.478) 12.643 6.876 ( -0.104 8.781 4.160) 9.717 7.068 ( 11.643 -3.770 -5.234) 13.311 7.561 ( -2.454 -1.559 2.920) 4.121 8.085 ( -2.220 3.639 -8.546) 9.550 8.161 ( -1.457 13.931 -3.659) 14.477 8.246 ( 0.332 -2.885 -6.884) 7.471 8.764 ( 3.913 1.439 4.754) 6.323 8.873 ( 1.012 2.960 2.331) 3.901 9.315 ( -2.326 3.959 3.628) 5.852 9.431 ( -3.339 2.848 -2.025) 4.833 10.041 ( -4.050 -4.078 1.316) 5.896 10.282 ( -7.369 -2.505 7.277) 10.655 10.402 ( -4.158 -3.192 -3.629) 6.375 10.847 ( -5.655 -3.050 -2.476) 6.885 11.204 ( 10.570 1.615 7.800) 13.236 11.608 ( 17.410 -8.404 7.286) 20.659 11.854 ( 4.095 1.691 -7.500) 8.711 12.028 ( 4.065 2.090 -7.671) 8.929 15.721 ( -9.309 -3.773 -2.392) 10.326 15.767 ( -10.529 -4.949 -3.679) 12.202 16.030 ( -7.744 6.342 -0.250) 10.013 16.045 ( 4.251 -6.323 -0.760) 7.657 16.115 ( 2.249 -4.530 0.546) 5.087 16.275 ( -4.220 1.800 -0.158) 4.590 16.507 ( 2.982 3.931 3.469) 6.032 16.645 ( 4.156 5.801 2.577) 7.587 19.080 ( 3.835 1.633 -3.964) 5.752 19.150 ( 2.776 -0.558 -3.301) 4.349 20.170 ( -1.572 0.629 2.725) 3.208 20.188 ( -1.478 -0.663 2.127) 2.673 ======================= Grid point 111 (43/160) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 13.617 8.002 15.940) 22.440 1.714 ( 11.382 6.775 18.295) 22.587 2.117 ( 2.851 3.838 -13.476) 14.299 2.319 ( 6.688 5.114 -17.095) 19.056 2.739 ( -2.688 -0.547 1.430) 3.093 2.790 ( 0.200 1.374 2.773) 3.101 2.827 ( -2.733 -7.376 3.076) 8.446 2.981 ( -2.571 -0.205 -2.938) 3.909 3.168 ( 1.107 4.912 14.261) 15.124 3.359 ( -8.693 1.855 9.924) 13.323 3.392 ( -5.174 -6.520 -4.287) 9.362 3.552 ( -11.542 -3.427 -0.148) 12.041 3.639 ( 2.634 -7.765 6.468) 10.444 3.697 ( -6.631 1.378 -2.025) 7.069 3.820 ( 4.433 -8.743 -0.316) 9.808 3.963 ( 7.262 0.326 -7.071) 10.141 4.119 ( 0.229 2.110 11.488) 11.682 4.445 ( 6.212 12.284 -4.925) 14.620 4.605 ( 1.376 3.378 1.199) 3.840 4.669 ( -3.960 -0.993 -6.297) 7.504 4.736 ( 1.902 0.196 -0.324) 1.939 4.980 ( -5.432 -7.727 -4.033) 10.270 5.387 ( 0.015 2.598 -1.535) 3.018 5.470 ( -3.133 0.845 4.133) 5.255 5.715 ( -3.213 -4.805 3.182) 6.598 5.767 ( -0.541 2.096 -6.290) 6.652 5.862 ( -2.565 -5.386 -0.593) 5.994 6.017 ( -4.207 -0.728 4.114) 5.929 6.363 ( 4.636 3.078 2.369) 6.048 6.736 ( -10.162 13.989 -1.801) 17.384 6.906 ( 0.297 14.095 2.472) 14.313 7.184 ( 10.815 0.502 -7.179) 12.991 7.618 ( 1.133 -3.861 6.083) 7.294 7.926 ( -1.611 7.218 -8.765) 11.468 8.193 ( 2.985 0.601 -1.811) 3.543 8.213 ( 4.672 1.654 -1.438) 5.161 8.889 ( 3.310 -0.347 3.964) 5.175 8.920 ( 1.694 1.825 1.399) 2.856 9.326 ( -2.034 4.987 4.176) 6.816 9.440 ( 5.859 2.089 1.205) 6.336 9.962 ( -6.661 -4.392 0.314) 7.985 10.040 ( -12.869 -2.090 -6.116) 14.401 10.427 ( -3.496 -3.404 7.996) 9.368 10.695 ( -7.778 -2.930 -3.335) 8.956 11.497 ( 12.314 1.771 7.247) 14.398 11.813 ( 6.697 -0.410 -7.071) 9.747 11.948 ( 11.430 -2.822 1.032) 11.818 12.046 ( 6.237 -0.676 -4.526) 7.736 15.539 ( -8.008 -2.147 -2.881) 8.777 15.557 ( -9.633 -0.573 -1.421) 9.754 15.821 ( -12.626 10.848 -1.835) 16.747 15.872 ( -15.148 8.722 0.450) 17.486 16.234 ( 8.614 -10.736 -0.025) 13.765 16.373 ( 8.210 -10.643 1.559) 13.531 16.612 ( 3.391 1.336 2.485) 4.411 16.744 ( 2.635 4.739 3.607) 6.513 19.100 ( 3.176 2.338 -2.768) 4.818 19.155 ( 2.941 -0.449 -4.195) 5.143 20.163 ( -2.288 0.189 1.740) 2.881 20.181 ( -2.198 0.177 1.969) 2.956 ======================= Grid point 112 (44/160) ======================= q-point: ( 0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 9.364 4.879 10.511) 14.899 2.041 ( 5.944 5.137 -7.146) 10.620 2.132 ( 11.596 0.969 12.359) 16.975 2.244 ( 7.919 4.414 -13.695) 16.424 2.617 ( -9.144 0.562 3.590) 9.840 2.716 ( -2.487 -0.243 -4.609) 5.243 2.846 ( -3.364 -6.709 0.842) 7.552 2.928 ( 0.139 -5.622 -1.656) 5.862 3.031 ( -17.608 -2.820 -5.728) 18.730 3.057 ( -15.835 -2.730 1.431) 16.132 3.400 ( -7.564 3.976 3.734) 9.325 3.461 ( -7.155 2.186 -3.524) 8.270 3.732 ( 13.363 2.049 8.246) 15.836 3.912 ( 8.801 -9.463 1.035) 12.965 3.917 ( 8.902 -13.626 3.137) 16.576 4.069 ( 15.641 2.984 -11.463) 19.621 4.293 ( 0.766 2.573 15.749) 15.976 4.402 ( -0.912 1.505 -9.020) 9.190 4.595 ( 0.028 1.943 -0.813) 2.106 4.631 ( 4.091 6.443 2.232) 7.952 4.757 ( -1.071 -3.811 -0.333) 3.972 4.831 ( -5.835 -4.257 -3.243) 7.917 5.343 ( -2.765 4.333 -2.110) 5.556 5.465 ( -5.544 4.380 3.184) 7.750 5.633 ( -5.767 0.995 -6.741) 8.927 5.664 ( -8.351 -0.146 5.491) 9.996 5.760 ( -2.395 -7.779 -1.011) 8.201 5.994 ( -3.687 -0.669 3.856) 5.377 6.446 ( -2.862 8.225 0.539) 8.726 6.535 ( -8.459 16.723 -1.875) 18.835 7.018 ( 8.644 10.770 4.776) 14.612 7.272 ( 6.833 6.125 -4.249) 10.112 7.667 ( -2.173 0.076 1.226) 2.496 7.844 ( 2.305 -0.594 -4.200) 4.828 8.237 ( 8.362 0.554 -5.538) 10.045 8.333 ( 6.252 0.818 3.073) 7.014 8.953 ( 2.205 -0.665 -0.594) 2.379 8.980 ( 1.985 0.072 4.589) 5.001 9.354 ( -1.221 3.448 4.181) 5.555 9.590 ( 2.059 3.203 -0.448) 3.834 9.751 ( -5.205 -4.967 -2.052) 7.482 9.872 ( -4.314 -2.424 -2.851) 5.711 10.426 ( -6.667 -2.018 6.373) 9.441 10.517 ( -7.493 -2.888 -3.454) 8.741 11.780 ( 10.744 1.020 6.345) 12.520 11.836 ( 6.907 0.427 -7.398) 10.130 12.109 ( 5.932 -2.590 0.544) 6.495 12.117 ( 4.735 -1.903 -0.517) 5.129 15.387 ( -7.341 3.346 -0.564) 8.087 15.417 ( -5.206 2.297 -0.073) 5.691 15.597 ( -10.805 10.661 -1.059) 15.217 15.649 ( -11.539 6.240 1.500) 13.204 16.370 ( 7.181 -9.072 -0.417) 11.578 16.517 ( 5.906 -8.730 1.409) 10.634 16.668 ( 1.654 -0.032 -0.132) 1.659 16.805 ( 0.470 2.019 1.419) 2.512 19.115 ( 1.664 1.016 -1.744) 2.616 19.159 ( 2.341 1.695 -1.858) 3.436 20.136 ( -2.173 0.373 0.315) 2.227 20.161 ( -2.074 0.537 0.900) 2.324 ======================= Grid point 113 (45/160) ======================= q-point: ( 0.40 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 6.544 4.020 -4.734) 9.022 2.139 ( 2.723 2.883 5.035) 6.409 2.216 ( 8.260 1.271 -9.201) 12.430 2.437 ( 2.195 0.360 6.168) 6.557 2.534 ( -7.265 2.300 6.067) 9.741 2.571 ( -8.392 3.408 -1.097) 9.124 2.743 ( -0.283 -2.662 -3.657) 4.532 2.777 ( -9.986 -1.112 0.602) 10.066 2.889 ( 0.464 -6.217 0.430) 6.249 2.992 ( 3.994 -4.888 0.812) 6.364 3.259 ( -5.246 2.499 -2.546) 6.344 3.356 ( -9.307 1.796 3.652) 10.158 3.928 ( 7.247 -3.458 -4.874) 9.394 3.986 ( 3.233 -6.260 -8.000) 10.661 4.061 ( 10.214 -10.694 -4.054) 15.334 4.252 ( 15.635 -1.177 -7.287) 17.290 4.314 ( 4.692 -5.953 1.891) 7.812 4.454 ( -1.788 0.845 2.497) 3.185 4.490 ( -7.614 -8.161 -4.590) 12.068 4.718 ( -5.914 -11.163 7.125) 14.503 4.769 ( 2.870 9.195 -1.132) 9.699 4.877 ( 11.052 7.557 8.030) 15.612 5.212 ( -8.395 -0.387 -0.083) 8.404 5.318 ( -14.643 2.169 -1.869) 14.920 5.440 ( -3.220 10.699 -2.083) 11.366 5.647 ( -4.317 5.702 5.346) 8.929 5.768 ( 0.838 -4.259 1.828) 4.710 5.976 ( -1.513 -0.507 -0.466) 1.662 6.342 ( -3.399 10.032 -1.064) 10.646 6.426 ( -5.534 19.383 2.564) 20.320 7.229 ( 5.520 8.307 5.415) 11.349 7.284 ( 1.700 6.429 -5.960) 8.930 7.625 ( -0.514 3.030 -0.908) 3.204 7.878 ( 1.905 -1.895 1.954) 3.322 8.323 ( 10.101 -0.641 -7.940) 12.864 8.463 ( 4.555 -1.614 0.735) 4.888 9.003 ( 3.580 -2.941 0.534) 4.664 9.074 ( 0.876 -0.274 6.581) 6.644 9.356 ( -4.680 1.892 3.479) 6.131 9.398 ( -8.887 2.115 -3.858) 9.917 9.763 ( 0.709 -1.331 -5.630) 5.828 9.878 ( 6.560 -2.310 0.652) 6.985 10.356 ( -8.066 -1.532 3.414) 8.892 10.380 ( -3.771 -2.492 -2.288) 5.066 11.882 ( 6.570 -0.286 -4.027) 7.711 12.002 ( 6.715 -0.016 4.976) 8.358 12.148 ( -0.824 -0.733 -0.383) 1.167 12.193 ( 2.567 -2.531 1.629) 3.956 15.279 ( -4.645 8.259 0.305) 9.480 15.383 ( -1.490 5.133 3.462) 6.368 15.438 ( -6.578 8.896 -0.045) 11.064 15.525 ( -6.482 3.291 3.698) 8.155 16.462 ( 4.511 -6.138 -1.293) 7.727 16.597 ( 2.031 -5.987 0.322) 6.331 16.672 ( 1.307 -0.759 -3.314) 3.642 16.787 ( -0.725 -1.091 -3.516) 3.752 19.134 ( 1.734 0.945 0.862) 2.154 19.190 ( 0.867 1.755 2.041) 2.828 20.101 ( -1.257 0.735 -0.981) 1.756 20.133 ( -1.322 0.800 -0.669) 1.684 ======================= Grid point 114 (46/160) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -7.116 2.794 -1.495) 7.790 2.135 ( 5.737 1.874 -4.380) 7.457 2.280 ( 6.416 -0.230 -3.014) 7.093 2.384 ( -9.024 -1.328 -3.773) 9.871 2.480 ( -7.417 4.860 5.965) 10.687 2.573 ( 7.775 1.252 6.865) 10.447 2.686 ( 2.854 0.254 -0.430) 2.897 2.820 ( 3.862 -3.319 0.907) 5.172 2.920 ( 0.438 -0.380 0.046) 0.581 3.050 ( 0.454 -2.535 -1.859) 3.176 3.215 ( -7.015 1.176 1.001) 7.183 3.270 ( 5.444 0.776 3.656) 6.604 3.895 ( 2.096 -4.428 -11.500) 12.500 3.909 ( 1.134 -5.905 -8.753) 10.620 4.142 ( -1.489 -10.879 -5.094) 12.105 4.231 ( -0.819 -10.633 -7.186) 12.860 4.387 ( -8.832 -2.614 -0.348) 9.217 4.442 ( 4.359 0.426 0.186) 4.384 4.517 ( 7.364 -10.289 4.601) 13.463 4.617 ( -7.390 -8.961 2.169) 11.816 4.897 ( 9.191 8.569 -3.239) 12.976 4.964 ( 0.326 4.273 2.501) 4.962 5.080 ( -9.365 4.120 1.486) 10.338 5.240 ( 3.589 6.163 5.726) 9.146 5.455 ( 2.145 6.519 3.307) 7.618 5.617 ( -2.074 8.625 1.893) 9.070 5.785 ( -1.134 -3.486 0.685) 3.729 5.904 ( -2.381 0.685 -5.927) 6.424 6.379 ( 3.106 12.273 6.391) 14.182 6.431 ( -0.103 16.425 6.948) 17.835 7.171 ( -4.629 6.087 -5.773) 9.582 7.317 ( 1.825 8.195 -3.209) 8.988 7.650 ( 0.952 0.177 3.457) 3.590 7.940 ( 0.645 0.962 4.552) 4.697 8.344 ( 3.329 -4.414 -10.263) 11.658 8.479 ( 2.277 1.633 -4.819) 5.575 9.036 ( -6.177 -3.709 5.602) 9.127 9.125 ( -4.750 -1.473 3.840) 6.283 9.306 ( -1.852 2.551 0.775) 3.246 9.346 ( 6.064 2.182 2.101) 6.778 9.752 ( 5.123 -0.176 -4.561) 6.861 9.914 ( -1.514 -2.784 -3.842) 4.981 10.252 ( -5.182 -1.255 0.052) 5.332 10.352 ( 2.765 -2.560 -0.568) 3.810 11.953 ( 3.228 -1.543 -0.080) 3.579 12.054 ( -4.797 0.696 -0.601) 4.884 12.154 ( 2.002 -1.421 2.749) 3.686 12.236 ( -0.510 -0.898 2.487) 2.692 15.250 ( 0.590 9.655 1.092) 9.734 15.352 ( -1.751 9.698 -0.633) 9.875 15.462 ( 1.110 3.854 7.921) 8.879 15.510 ( -2.021 2.943 5.872) 6.872 16.484 ( 1.303 -4.432 -3.743) 5.946 16.584 ( -1.891 -2.972 -3.532) 4.988 16.628 ( 0.164 -3.009 -5.435) 6.214 16.736 ( 1.396 -1.292 -4.378) 4.773 19.195 ( 1.159 0.353 4.234) 4.404 19.234 ( 0.014 1.004 4.078) 4.200 20.076 ( 0.227 1.080 -1.668) 2.000 20.101 ( -0.425 0.954 -2.042) 2.294 ======================= Grid point 115 (47/160) ======================= q-point: (-0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -12.079 5.039 -3.367) 13.514 1.983 ( -14.642 -0.909 -9.375) 17.410 2.301 ( 3.947 1.459 3.309) 5.353 2.390 ( 6.293 -1.579 0.881) 6.547 2.502 ( 3.805 4.183 2.448) 6.162 2.741 ( 4.376 -2.176 -0.500) 4.913 2.851 ( 8.294 -2.157 6.959) 11.040 2.890 ( 9.342 2.554 -0.286) 9.689 2.955 ( -0.707 -0.098 -0.046) 0.715 3.014 ( 1.719 -2.803 -0.374) 3.309 3.141 ( -0.376 3.209 -0.920) 3.359 3.391 ( 5.849 0.816 -7.884) 9.851 3.770 ( -9.208 -9.610 -8.207) 15.636 3.803 ( -9.382 -4.860 -2.162) 10.786 3.874 ( -4.582 -2.078 -7.393) 8.943 4.013 ( -17.423 -8.833 -5.561) 20.310 4.334 ( 11.473 -4.883 -5.001) 13.435 4.422 ( -6.092 0.062 5.414) 8.150 4.556 ( 1.338 -0.668 0.836) 1.713 4.808 ( 7.578 -12.980 6.757) 16.479 4.840 ( -7.351 6.339 1.202) 9.781 5.034 ( -2.874 4.415 5.803) 7.837 5.223 ( 19.562 1.294 -0.561) 19.612 5.323 ( 2.831 5.793 0.055) 6.448 5.482 ( -2.450 3.841 2.813) 5.355 5.681 ( 3.541 5.890 -1.381) 7.009 5.767 ( -0.051 -1.858 -0.739) 2.000 5.809 ( 3.121 0.496 -4.058) 5.144 6.497 ( -0.007 16.501 6.796) 17.846 6.592 ( 3.721 8.918 10.631) 14.367 6.989 ( -7.138 7.872 -6.997) 12.723 7.267 ( 1.278 4.206 -6.493) 7.840 7.700 ( -1.482 -2.270 3.993) 4.826 8.010 ( 0.464 3.425 5.533) 6.524 8.227 ( -1.076 -1.678 -8.023) 8.267 8.469 ( 3.386 2.735 -5.990) 7.404 8.900 ( -13.624 -2.283 3.782) 14.322 9.101 ( -3.439 -0.757 4.402) 5.637 9.279 ( -2.161 3.596 0.283) 4.205 9.562 ( 10.267 1.047 1.408) 10.416 9.748 ( -7.210 -2.922 -4.684) 9.081 9.803 ( 5.541 -1.602 -3.201) 6.597 10.213 ( 1.621 -1.207 -1.902) 2.775 10.453 ( 7.965 -3.199 1.046) 8.647 11.848 ( -11.100 0.229 -2.357) 11.350 12.057 ( 0.884 -0.630 3.118) 3.301 12.191 ( -1.287 -2.140 2.389) 3.456 12.234 ( -3.283 -0.465 2.319) 4.046 15.329 ( 6.215 9.595 2.349) 11.671 15.354 ( 2.995 7.765 -0.717) 8.353 15.576 ( 1.882 2.320 7.005) 7.615 15.632 ( 4.109 5.151 10.667) 12.538 16.406 ( -1.657 -5.289 -8.404) 10.067 16.487 ( -0.600 -0.529 -6.705) 6.753 16.555 ( -2.518 -5.413 -3.932) 7.149 16.715 ( 0.485 0.271 -3.064) 3.114 19.244 ( -1.595 -0.422 4.283) 4.590 19.293 ( 0.176 0.508 4.540) 4.572 20.070 ( 1.253 1.156 -1.648) 2.371 20.075 ( 0.864 0.873 -2.579) 2.856 ======================= Grid point 116 (48/160) ======================= q-point: (-0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -21.073 1.634 -8.282) 22.701 1.571 ( -19.143 9.166 -7.674) 22.569 2.462 ( 2.546 1.659 11.183) 11.588 2.527 ( 9.625 0.997 -3.663) 10.346 2.635 ( 7.415 2.331 1.028) 7.840 2.834 ( 0.795 -1.793 -1.023) 2.212 2.841 ( -2.131 -1.861 -1.142) 3.052 2.887 ( -13.621 5.657 -3.591) 15.180 3.017 ( 2.091 4.779 0.114) 5.218 3.083 ( 6.254 -2.129 3.509) 7.481 3.263 ( 8.661 -0.317 -5.646) 10.344 3.332 ( 6.156 1.601 -7.303) 9.684 3.391 ( -7.565 -3.319 -4.682) 9.496 3.515 ( -7.397 -9.459 -9.895) 15.560 3.834 ( -1.952 -8.858 -0.247) 9.074 3.947 ( 2.638 -6.280 3.630) 7.719 4.339 ( -6.085 3.970 2.821) 7.794 4.487 ( 5.477 1.229 0.709) 5.658 4.622 ( 2.191 -1.242 -0.824) 2.650 4.724 ( -2.258 3.498 0.639) 4.212 4.957 ( 1.459 -11.744 6.998) 13.749 5.049 ( -4.760 4.869 5.808) 8.950 5.349 ( 0.642 -0.550 -2.398) 2.543 5.468 ( 3.766 3.215 1.194) 5.093 5.523 ( 6.552 1.360 1.310) 6.819 5.636 ( 2.432 1.377 -6.460) 7.038 5.834 ( 9.059 1.404 -1.891) 9.360 5.921 ( 7.279 -3.015 2.268) 8.199 6.464 ( -11.198 7.609 0.334) 13.543 6.710 ( 0.397 10.429 3.371) 10.968 6.860 ( -0.762 14.697 -0.280) 14.719 7.268 ( 5.690 -0.138 -2.107) 6.069 7.663 ( -7.147 -3.649 0.831) 8.068 8.085 ( 1.584 4.441 3.814) 6.064 8.159 ( 0.107 3.151 -2.215) 3.853 8.452 ( 1.856 2.138 -2.740) 3.940 8.733 ( -7.376 -0.668 -0.475) 7.421 9.055 ( -9.531 -0.196 3.734) 10.238 9.237 ( -3.337 4.657 0.585) 5.759 9.488 ( -4.564 1.950 -3.386) 6.008 9.822 ( 7.583 -4.013 -1.255) 8.670 9.881 ( 9.683 -1.979 -3.014) 10.332 10.259 ( 5.198 -0.888 0.518) 5.299 10.617 ( 8.486 -3.857 1.384) 9.424 11.596 ( -14.088 1.248 -2.571) 14.375 12.070 ( -5.207 -3.417 3.893) 7.345 12.155 ( -6.555 -0.488 0.674) 6.608 12.208 ( -1.461 -2.740 3.020) 4.332 15.437 ( 7.489 5.723 -0.492) 9.438 15.520 ( 11.504 10.025 4.129) 15.808 15.722 ( 4.691 2.015 7.673) 9.217 15.860 ( 6.091 4.777 11.583) 13.931 16.264 ( -1.774 -4.718 -8.881) 10.212 16.395 ( -0.703 -1.343 -7.318) 7.473 16.444 ( -4.310 -7.048 -4.886) 9.598 16.663 ( -2.621 1.207 -2.684) 3.941 19.250 ( -2.272 -0.109 2.300) 3.235 19.321 ( -2.457 0.136 2.684) 3.641 20.069 ( 2.016 0.013 -1.855) 2.740 20.082 ( 1.790 1.321 -1.138) 2.499 ======================= Grid point 117 (49/160) ======================= q-point: (-0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -22.033 9.504 -5.591) 24.638 1.144 ( -21.755 14.421 -1.818) 26.164 2.153 ( -37.954 26.983 -3.288) 46.684 2.528 ( -5.753 5.421 2.409) 8.264 2.741 ( 5.078 -2.635 -0.650) 5.758 2.814 ( 6.648 -3.678 0.898) 7.650 2.835 ( -2.472 -2.610 3.347) 4.912 2.965 ( 9.751 -1.145 -0.572) 9.835 3.087 ( 7.432 3.398 -2.675) 8.599 3.129 ( 5.706 -1.898 -8.053) 10.050 3.211 ( 2.475 -6.878 1.579) 7.478 3.336 ( 0.397 1.971 -4.404) 4.841 3.395 ( 4.815 -8.797 0.583) 10.046 3.499 ( 4.077 -1.576 -2.705) 5.140 3.878 ( 5.963 -7.938 0.644) 9.949 4.023 ( 3.312 -7.000 1.184) 7.834 4.292 ( -4.153 4.279 3.161) 6.749 4.411 ( -6.255 1.032 -6.937) 9.397 4.642 ( 1.701 4.836 2.804) 5.843 4.840 ( 9.155 0.820 -0.941) 9.239 4.981 ( -8.780 6.534 1.607) 11.062 5.108 ( 2.647 -9.722 12.752) 16.252 5.313 ( 0.329 -1.195 -1.618) 2.038 5.488 ( -1.666 4.499 -0.253) 4.804 5.605 ( 2.726 -3.490 -1.025) 4.545 5.614 ( -0.147 -1.561 -1.553) 2.206 5.891 ( -1.736 2.617 -5.206) 6.080 6.106 ( 9.753 -4.643 2.780) 11.153 6.282 ( -2.997 2.560 -0.519) 3.976 6.755 ( 1.684 10.826 1.145) 11.016 6.859 ( -0.678 13.951 1.688) 14.069 7.342 ( -4.028 -1.416 -2.323) 4.861 7.495 ( -3.844 -3.716 -1.261) 5.493 8.131 ( 1.128 -4.781 -1.079) 5.029 8.196 ( 5.264 17.533 2.613) 18.492 8.500 ( 5.318 3.030 0.011) 6.120 8.634 ( -2.413 0.428 -2.713) 3.656 8.888 ( -10.722 2.618 1.534) 11.143 9.188 ( -4.032 5.084 2.795) 7.066 9.458 ( 1.310 2.179 0.221) 2.552 9.904 ( 6.383 -4.614 -2.426) 8.241 10.005 ( 7.462 -2.339 -2.571) 8.232 10.407 ( 8.619 0.333 2.859) 9.087 10.754 ( 5.850 -4.366 0.587) 7.323 11.324 ( -14.151 1.266 -1.374) 14.274 11.922 ( -17.786 -14.471 1.492) 22.977 12.042 ( -5.412 1.461 -0.092) 5.607 12.228 ( -0.457 -1.930 1.843) 2.707 15.593 ( 10.778 3.296 -0.124) 11.271 15.819 ( 16.296 11.208 4.749) 20.340 15.901 ( 4.994 -0.841 6.567) 8.293 16.075 ( 1.699 4.125 8.024) 9.181 16.166 ( 1.707 -4.189 -4.223) 6.189 16.281 ( 0.742 0.609 -10.870) 10.912 16.304 ( -7.200 -9.420 0.436) 11.864 16.565 ( -4.314 3.012 -2.796) 5.958 19.221 ( -2.312 0.335 -0.769) 2.460 19.275 ( -4.368 0.033 0.038) 4.369 20.093 ( 1.785 -0.007 -0.317) 1.813 20.106 ( 2.265 0.418 -0.325) 2.326 ======================= Grid point 118 (50/160) ======================= q-point: (-0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -10.739 23.799 10.649) 28.197 0.870 ( -15.240 21.672 13.313) 29.651 1.541 ( -33.742 37.487 12.078) 51.862 2.415 ( -4.711 7.655 -3.504) 9.648 2.705 ( -4.991 2.400 -6.717) 8.706 2.826 ( 2.912 -4.211 1.062) 5.229 2.880 ( 3.626 -2.542 -2.163) 4.929 3.116 ( 5.589 -7.367 1.620) 9.388 3.183 ( 3.318 -5.493 3.451) 7.286 3.281 ( 7.575 1.366 3.308) 8.378 3.299 ( 1.228 1.341 -4.420) 4.779 3.370 ( 10.442 -0.827 4.764) 11.507 3.487 ( 3.805 -8.241 2.332) 9.371 3.544 ( 3.403 -1.422 6.840) 7.771 3.973 ( 4.577 -6.890 0.562) 8.291 4.078 ( 1.617 -5.494 -4.822) 7.486 4.197 ( -0.390 -0.610 -5.606) 5.652 4.305 ( -3.059 1.249 -0.674) 3.372 4.680 ( -0.684 8.925 -1.114) 9.020 4.798 ( -9.363 7.494 -0.718) 12.015 4.953 ( 3.973 -0.655 -2.924) 4.976 5.224 ( 5.110 -1.637 -4.515) 7.012 5.321 ( -11.347 -10.541 11.123) 19.068 5.432 ( -5.048 -0.698 -6.874) 8.557 5.532 ( 3.963 5.593 2.893) 7.441 5.713 ( -1.527 -1.245 5.230) 5.589 5.770 ( -2.773 -0.283 4.529) 5.318 6.245 ( 4.293 1.577 1.796) 4.914 6.390 ( 11.938 -4.093 1.137) 12.672 6.787 ( 0.086 7.078 2.228) 7.421 6.902 ( 1.413 13.195 3.483) 13.720 6.966 ( -21.839 -3.492 -9.297) 23.992 7.578 ( 5.910 -0.516 -0.884) 5.998 8.130 ( 0.857 -6.276 -1.882) 6.608 8.355 ( 7.883 4.781 -2.167) 9.471 8.567 ( -1.228 -1.300 0.707) 1.923 8.620 ( 16.780 24.114 -15.040) 33.003 8.783 ( -4.350 4.391 2.101) 6.529 9.219 ( 1.646 1.922 8.736) 9.095 9.511 ( 3.932 5.275 2.953) 7.212 9.991 ( 6.402 -3.115 -2.161) 7.440 10.087 ( 1.568 -4.550 3.174) 5.765 10.561 ( 6.396 1.473 -1.168) 6.666 10.843 ( 3.830 -3.915 2.449) 5.999 11.103 ( -10.891 -0.038 0.743) 10.917 11.467 ( -37.509 -21.088 3.393) 43.164 11.958 ( -2.300 1.297 -2.864) 3.896 12.207 ( -1.312 -0.856 -4.046) 4.339 15.786 ( 11.438 -0.890 -0.519) 11.484 15.948 ( 0.428 -5.439 -8.050) 9.725 16.043 ( 3.577 0.805 -0.568) 3.710 16.087 ( -4.755 -5.720 -3.097) 8.057 16.109 ( -1.202 0.223 0.536) 1.335 16.276 ( 4.669 2.100 -1.619) 5.369 16.389 ( 4.904 2.694 11.805) 13.064 16.518 ( 3.921 10.333 2.779) 11.396 19.145 ( -2.872 -0.382 -4.310) 5.194 19.196 ( -2.919 0.315 -1.500) 3.297 20.119 ( 0.833 0.963 1.198) 1.748 20.148 ( 1.809 -0.980 0.839) 2.222 ======================= Grid point 119 (51/160) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -2.081 24.282 8.756) 25.897 1.435 ( -1.445 22.972 12.219) 26.060 2.351 ( 1.137 33.576 22.623) 40.502 2.470 ( 0.417 3.401 -10.651) 11.188 2.564 ( 0.410 1.841 -8.260) 8.473 2.770 ( 1.086 -4.207 -2.568) 5.047 2.789 ( -1.297 -4.039 0.244) 4.249 3.068 ( 2.618 -8.433 -0.115) 8.831 3.097 ( 2.725 -10.307 1.547) 10.773 3.196 ( -2.979 -5.282 3.554) 7.029 3.267 ( -0.416 2.765 -9.173) 9.590 3.486 ( 1.764 -8.894 0.014) 9.068 3.604 ( 1.840 -6.978 0.595) 7.241 3.635 ( -2.845 1.089 11.645) 12.037 3.817 ( 1.365 1.496 5.056) 5.446 3.960 ( 4.464 -4.172 7.903) 9.990 4.308 ( -3.777 2.753 4.759) 6.670 4.348 ( 0.282 10.345 -0.456) 10.359 4.712 ( 0.146 7.386 -9.070) 11.698 4.853 ( -1.233 0.731 -4.605) 4.823 4.891 ( -3.486 4.174 -2.323) 5.914 5.083 ( -0.469 0.655 -1.183) 1.431 5.267 ( -2.867 -3.746 4.331) 6.404 5.451 ( 3.226 -4.967 1.639) 6.145 5.590 ( -1.736 -4.793 -1.027) 5.200 5.748 ( 5.555 -0.201 -0.103) 5.559 5.787 ( -0.534 6.989 2.920) 7.593 6.289 ( -2.700 -2.085 3.322) 4.761 6.434 ( -15.394 -2.479 -8.358) 17.691 6.629 ( 18.772 -4.526 -1.086) 19.340 7.034 ( 1.340 12.653 -1.598) 12.823 7.279 ( -3.539 15.862 5.720) 17.229 7.573 ( -0.042 -1.255 -2.161) 2.500 7.943 ( 1.228 -9.259 -1.990) 9.550 8.242 ( -1.306 -3.733 -4.536) 6.018 8.536 ( -1.583 -2.327 7.213) 7.743 8.820 ( -1.501 5.539 -1.327) 5.890 9.093 ( 1.574 14.209 -10.711) 17.864 9.310 ( 7.359 2.769 -2.294) 8.191 9.686 ( -9.719 2.829 1.780) 10.278 9.997 ( 1.758 -2.464 -0.081) 3.028 10.069 ( 2.427 -2.025 4.768) 5.720 10.558 ( -2.151 -4.594 -8.481) 9.882 10.804 ( -0.026 -7.354 -1.489) 7.503 11.028 ( -1.297 4.351 12.672) 13.461 11.157 ( 1.937 1.949 13.219) 13.501 11.931 ( 0.772 1.858 -5.154) 5.532 12.102 ( -0.209 -1.579 -6.144) 6.347 15.726 ( 0.315 -9.985 -0.148) 9.991 15.735 ( 0.506 -9.734 -0.260) 9.751 15.872 ( -2.732 -0.193 -8.673) 9.095 15.933 ( -2.520 -1.915 -6.205) 6.965 16.185 ( 2.145 3.453 5.844) 7.118 16.379 ( 0.665 -0.257 6.277) 6.317 16.657 ( 2.554 6.421 0.634) 6.939 16.734 ( -2.849 4.844 -0.341) 5.630 19.078 ( 1.678 0.290 -3.548) 3.935 19.154 ( 0.107 -0.024 -2.847) 2.850 20.151 ( 0.189 -1.153 2.130) 2.429 20.172 ( -0.297 0.665 2.168) 2.287 ======================= Grid point 120 (52/160) ======================= q-point: ( 0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 2.495 18.787 12.658) 22.790 1.636 ( 4.723 16.538 13.416) 21.813 2.320 ( -0.268 1.927 -12.506) 12.657 2.491 ( 4.124 3.823 -9.967) 11.444 2.690 ( 1.344 3.702 6.084) 7.247 2.749 ( -3.483 -5.769 0.291) 6.745 2.830 ( 4.075 11.370 10.758) 16.174 3.009 ( 0.100 -8.375 -4.780) 9.644 3.152 ( 2.268 2.067 -1.182) 3.288 3.187 ( -5.195 -5.711 6.438) 10.052 3.244 ( 4.823 -6.677 2.662) 8.656 3.416 ( -2.258 -9.355 -5.465) 11.067 3.552 ( -4.794 -5.257 -0.475) 7.130 3.773 ( -3.846 4.278 18.612) 19.480 3.910 ( -5.912 2.223 7.794) 10.032 4.016 ( -7.263 0.447 3.077) 7.901 4.208 ( -5.301 10.522 -2.338) 12.012 4.467 ( 9.038 0.835 5.372) 10.547 4.679 ( 4.907 8.991 -7.131) 12.481 4.776 ( -0.810 1.263 -6.633) 6.801 4.810 ( 0.105 1.303 -5.048) 5.214 5.006 ( -5.466 1.307 -0.908) 5.693 5.296 ( -1.820 -6.831 6.182) 9.391 5.494 ( 1.694 -5.145 0.265) 5.423 5.546 ( -0.897 -3.326 -0.220) 3.452 5.794 ( -0.598 -3.606 0.346) 3.671 5.906 ( 5.915 7.540 -0.055) 9.584 6.097 ( -9.367 -1.863 -5.865) 11.208 6.304 ( 1.311 -0.456 1.630) 2.141 6.935 ( 18.212 -6.304 -4.504) 19.791 7.071 ( 3.504 10.596 0.974) 11.202 7.223 ( -6.204 14.854 0.358) 16.102 7.555 ( -1.887 0.462 2.967) 3.546 7.954 ( 2.840 -8.068 -2.760) 8.988 8.202 ( 1.278 -0.092 -1.666) 2.102 8.501 ( -5.927 8.397 -2.725) 10.633 8.814 ( 1.639 4.461 1.920) 5.126 9.013 ( 0.450 10.901 -4.031) 11.631 9.399 ( 5.102 2.701 -0.319) 5.782 9.521 ( -10.512 5.635 4.912) 12.899 9.951 ( -3.601 -3.490 -2.469) 5.590 10.196 ( -2.099 -5.077 9.633) 11.089 10.319 ( -8.705 -4.918 -8.364) 13.036 10.738 ( -4.333 -7.329 -3.087) 9.056 11.263 ( 10.024 3.820 9.138) 14.092 11.490 ( 14.009 -2.915 10.870) 17.970 11.897 ( 4.038 2.179 -7.054) 8.415 12.036 ( 2.682 -0.855 -7.606) 8.110 15.652 ( -5.087 -3.773 -3.812) 7.392 15.692 ( -5.368 -2.211 -3.315) 6.685 15.846 ( 7.960 -8.711 -2.048) 11.976 15.919 ( 6.334 -8.153 -0.885) 10.362 16.211 ( -5.780 7.121 2.495) 9.505 16.419 ( -7.275 6.215 0.779) 9.600 16.561 ( -5.042 2.548 2.677) 6.251 16.751 ( 1.496 3.785 2.546) 4.801 19.096 ( 4.689 -0.104 -3.379) 5.781 19.142 ( 2.915 -0.117 -3.983) 4.937 20.167 ( -1.566 -0.658 2.643) 3.141 20.188 ( -0.997 0.453 2.216) 2.472 ======================= Grid point 121 (53/160) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 9.179 11.640 14.246) 20.560 1.887 ( 6.360 9.323 12.087) 16.537 2.190 ( 1.501 2.846 -9.588) 10.113 2.445 ( 5.675 5.844 -13.102) 15.427 2.660 ( -6.931 -6.168 0.860) 9.318 2.684 ( -2.208 -5.345 0.984) 5.867 2.793 ( -4.388 -3.787 -4.494) 7.334 2.917 ( -1.934 -4.177 -8.831) 9.959 3.151 ( -8.603 -7.002 6.085) 12.651 3.274 ( -6.800 -4.536 -6.158) 10.234 3.353 ( 4.216 -10.426 3.801) 11.871 3.509 ( 2.296 -0.062 7.992) 8.315 3.538 ( 11.531 5.783 13.091) 18.379 3.710 ( -15.140 3.746 0.208) 15.598 3.805 ( -10.571 5.587 1.431) 12.042 4.025 ( 4.233 4.290 9.585) 11.323 4.203 ( 1.029 6.420 4.629) 7.981 4.569 ( -2.551 -6.228 -6.006) 9.020 4.645 ( -0.352 3.406 -3.375) 4.808 4.684 ( -3.666 3.873 -2.480) 5.881 4.797 ( 4.889 6.235 -1.676) 8.099 4.917 ( -2.281 2.275 -1.572) 3.585 5.375 ( 0.857 -6.253 4.595) 7.807 5.484 ( 0.359 1.906 1.571) 2.496 5.593 ( 2.785 -4.717 1.500) 5.679 5.731 ( -6.201 -7.062 -3.278) 9.953 5.829 ( -2.501 2.240 -6.846) 7.625 5.997 ( -5.144 -1.458 3.267) 6.266 6.469 ( 12.840 7.544 2.111) 15.041 6.979 ( -3.748 3.975 -6.864) 8.773 7.162 ( 4.880 8.907 1.266) 10.235 7.265 ( 11.241 9.030 -0.220) 14.420 7.583 ( -1.874 0.870 6.941) 7.242 7.950 ( 1.537 -3.821 -5.724) 7.052 8.231 ( 2.533 3.373 -0.275) 4.227 8.363 ( -2.701 10.531 -3.495) 11.420 8.892 ( 2.531 1.180 3.599) 4.555 8.991 ( -0.120 5.468 -1.549) 5.684 9.440 ( -1.631 2.416 2.349) 3.744 9.513 ( 2.194 6.623 5.562) 8.922 9.857 ( -3.718 -4.987 -1.804) 6.476 9.970 ( -13.655 -3.813 -7.587) 16.079 10.328 ( -1.611 -5.827 8.125) 10.127 10.596 ( -7.161 -6.510 -3.529) 10.302 11.547 ( 11.227 2.868 7.208) 13.647 11.779 ( 8.398 -2.588 1.717) 8.954 11.923 ( 8.701 0.393 -4.615) 9.857 12.021 ( 5.062 -1.403 -5.645) 7.710 15.526 ( -3.877 0.675 -3.209) 5.078 15.568 ( -4.767 1.532 -1.601) 5.257 15.972 ( 5.329 -6.818 -0.331) 8.660 16.039 ( 1.926 -2.796 1.112) 3.573 16.078 ( -8.847 8.527 0.414) 12.295 16.209 ( -5.956 2.775 -1.421) 6.723 16.611 ( 1.794 -1.253 3.018) 3.728 16.801 ( -0.021 0.482 2.921) 2.960 19.141 ( 4.377 -0.773 -3.843) 5.876 19.148 ( 3.202 1.714 -2.620) 4.479 20.164 ( -1.979 -0.012 1.897) 2.741 20.188 ( -1.815 0.333 1.768) 2.555 ======================= Grid point 122 (54/160) ======================= q-point: ( 0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 5.833 6.490 7.466) 11.484 2.151 ( 6.521 4.216 -2.325) 8.106 2.187 ( 6.976 5.050 11.335) 14.235 2.354 ( 3.528 5.917 -13.223) 14.909 2.591 ( -5.918 -3.503 6.238) 9.284 2.674 ( -0.431 -6.926 -0.855) 6.992 2.682 ( -2.593 -4.720 -1.555) 5.606 2.786 ( 0.284 -6.101 -9.199) 11.042 2.992 ( -10.438 -0.916 -5.873) 12.012 3.050 ( -14.300 0.536 3.082) 14.639 3.433 ( -4.242 -3.605 4.702) 7.287 3.444 ( -7.263 -1.787 -2.636) 7.930 3.592 ( 2.024 -9.609 1.782) 9.980 3.650 ( 1.647 -8.993 -2.828) 9.570 3.973 ( 7.333 9.225 11.190) 16.251 4.189 ( 10.737 5.384 -6.264) 13.546 4.287 ( -6.703 -6.754 2.718) 9.896 4.385 ( -4.141 -1.065 3.025) 5.238 4.545 ( -5.655 0.590 -2.556) 6.234 4.635 ( -1.304 1.776 0.423) 2.243 4.847 ( 5.048 6.047 -4.120) 8.889 4.920 ( 1.888 7.858 3.369) 8.756 5.326 ( -6.618 -4.337 -1.906) 8.138 5.487 ( -7.713 -3.710 -2.407) 8.890 5.644 ( 3.971 -1.016 2.003) 4.562 5.689 ( 2.529 2.335 6.424) 7.288 5.725 ( -1.130 4.827 -5.968) 7.759 5.971 ( -2.483 -1.290 3.238) 4.279 6.631 ( 2.172 9.477 -1.878) 9.903 6.871 ( -1.119 12.841 -1.057) 12.933 7.261 ( 6.457 10.176 0.897) 12.085 7.451 ( 9.398 9.274 -0.593) 13.217 7.650 ( -0.814 -0.681 7.593) 7.666 7.851 ( -1.178 1.144 -9.268) 9.412 8.272 ( 3.495 3.208 -0.764) 4.805 8.361 ( 2.928 1.948 0.484) 3.550 8.956 ( 1.463 1.079 -3.061) 3.560 8.983 ( 0.085 0.787 5.369) 5.427 9.447 ( -3.020 4.041 3.815) 6.325 9.613 ( -4.001 -7.232 -1.862) 8.472 9.682 ( -2.793 5.011 -0.878) 5.804 9.809 ( 1.204 -2.467 -2.973) 4.046 10.359 ( -5.227 -4.417 6.363) 9.344 10.427 ( -6.928 -5.675 -3.453) 9.598 11.806 ( 9.342 1.268 5.896) 11.120 11.848 ( 5.297 0.607 -5.109) 7.385 12.042 ( 7.022 -2.968 -1.678) 7.806 12.078 ( 5.022 -1.914 -0.324) 5.384 15.457 ( -2.019 3.888 0.292) 4.391 15.499 ( -2.684 4.253 0.745) 5.084 15.831 ( -12.418 11.965 -0.747) 17.260 15.888 ( -10.450 14.362 0.171) 17.762 16.164 ( 8.994 -9.556 -0.305) 13.127 16.298 ( 7.989 -11.090 1.487) 13.748 16.656 ( 1.014 -1.304 0.395) 1.698 16.804 ( -1.658 -2.151 -0.385) 2.743 19.147 ( 2.007 1.503 -2.221) 3.350 19.191 ( 2.875 1.222 -0.744) 3.211 20.145 ( -1.652 0.436 0.232) 1.724 20.173 ( -1.829 0.431 0.992) 2.125 ======================= Grid point 123 (55/160) ======================= q-point: ( 0.40 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 3.345 4.856 -3.815) 7.024 2.215 ( 2.281 3.781 -2.671) 5.161 2.257 ( 6.022 3.187 -3.123) 7.495 2.452 ( 1.494 0.716 6.185) 6.403 2.558 ( -3.869 -0.182 1.663) 4.215 2.600 ( -3.318 -1.410 3.620) 5.109 2.642 ( -5.203 -4.767 -3.438) 7.850 2.736 ( -3.606 -1.870 3.817) 5.574 2.833 ( 0.011 0.392 -0.685) 0.789 2.941 ( 3.713 0.200 0.311) 3.731 3.296 ( -5.467 0.634 -1.735) 5.771 3.346 ( -9.276 -2.225 1.910) 9.728 3.684 ( 6.084 -16.047 -4.400) 17.717 3.714 ( 7.405 -13.757 0.082) 15.623 3.998 ( -4.355 -7.244 -10.322) 13.341 4.115 ( -10.892 -13.504 3.642) 17.727 4.227 ( 3.761 0.134 -6.601) 7.599 4.411 ( 6.819 6.437 -2.779) 9.781 4.545 ( -1.663 4.496 4.243) 6.402 4.588 ( -2.972 1.492 -0.708) 3.400 4.927 ( 4.267 5.171 1.077) 6.791 5.046 ( 4.071 6.985 6.729) 10.519 5.210 ( -3.932 -0.091 2.806) 4.832 5.290 ( -8.785 -3.523 -3.921) 10.245 5.637 ( -0.027 7.645 -4.509) 8.876 5.728 ( 1.750 1.934 0.297) 2.625 5.813 ( 0.438 6.088 6.720) 9.079 5.970 ( -1.065 -0.157 0.553) 1.210 6.591 ( -0.549 13.109 -1.327) 13.188 6.840 ( -2.665 18.522 0.524) 18.721 7.408 ( 6.887 8.300 0.719) 10.809 7.514 ( -0.269 13.260 -1.722) 13.374 7.690 ( 1.639 2.205 -5.966) 6.568 7.808 ( 1.596 -4.270 6.176) 7.676 8.306 ( 3.405 -0.629 -5.123) 6.184 8.436 ( 3.537 -0.892 2.152) 4.235 8.948 ( 1.539 -1.762 -1.450) 2.752 9.055 ( -1.302 -1.283 6.726) 6.970 9.406 ( -6.234 1.833 1.425) 6.652 9.426 ( -5.028 0.015 -1.393) 5.218 9.734 ( 5.260 -0.485 -5.184) 7.401 9.848 ( 3.679 0.283 -0.024) 3.690 10.294 ( -4.807 -4.781 -0.373) 6.790 10.311 ( -5.606 -3.697 0.937) 6.780 11.883 ( 4.669 0.490 -2.845) 5.489 11.995 ( 4.983 -0.738 4.652) 6.857 12.126 ( 0.796 -1.280 -0.622) 1.631 12.136 ( 4.370 -2.448 1.238) 5.160 15.454 ( -1.587 6.499 3.661) 7.626 15.498 ( 0.067 5.831 2.849) 6.490 15.647 ( -8.405 11.649 0.536) 14.375 15.741 ( -6.271 15.600 0.051) 16.813 16.298 ( 6.753 -8.518 -0.912) 10.908 16.424 ( 3.780 -9.734 1.557) 10.558 16.658 ( 0.894 -0.954 -2.603) 2.913 16.741 ( -1.646 -3.313 -4.454) 5.790 19.166 ( 1.568 1.794 0.466) 2.428 19.225 ( 0.819 1.316 1.306) 2.027 20.118 ( -0.791 0.812 -0.921) 1.461 20.150 ( -1.204 0.672 -0.376) 1.429 ======================= Grid point 124 (56/160) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 1.200 -0.653 -7.254) 7.381 2.175 ( -2.207 0.978 -5.675) 6.167 2.314 ( -1.387 3.852 -2.285) 4.688 2.403 ( -2.395 4.833 -0.147) 5.396 2.582 ( -6.134 3.290 3.487) 7.785 2.588 ( 7.404 0.224 2.658) 7.869 2.661 ( -0.607 -2.151 5.509) 5.945 2.733 ( 4.644 -3.459 6.471) 8.684 2.919 ( -1.369 0.055 1.923) 2.361 3.020 ( 4.881 -0.300 -3.559) 6.048 3.214 ( -5.289 -1.682 0.717) 5.596 3.271 ( 3.362 -0.744 2.658) 4.350 3.701 ( 0.560 -12.127 -8.275) 14.692 3.726 ( 1.855 -13.057 -9.181) 16.069 3.875 ( -9.411 -13.949 -2.258) 16.977 3.932 ( 6.646 -16.525 -4.874) 18.466 4.321 ( 7.698 -1.899 3.058) 8.498 4.418 ( -12.390 1.060 -3.945) 13.046 4.509 ( 2.644 5.465 -2.128) 6.433 4.549 ( 0.951 3.011 0.723) 3.240 5.035 ( 7.201 4.524 1.300) 8.603 5.058 ( -4.353 2.946 0.847) 5.323 5.154 ( -4.475 3.296 1.890) 5.870 5.337 ( 4.627 3.356 8.396) 10.157 5.602 ( -0.024 6.599 -2.865) 7.194 5.720 ( -0.274 1.823 -2.232) 2.895 5.846 ( -3.023 6.535 3.700) 8.095 5.928 ( -1.938 1.369 -3.116) 3.917 6.637 ( 3.572 13.127 4.754) 14.411 6.835 ( 0.201 19.232 2.576) 19.405 7.372 ( -4.043 11.945 -6.064) 13.993 7.509 ( 0.063 7.954 -6.259) 10.122 7.650 ( 0.209 0.465 1.199) 1.303 7.937 ( 2.383 -1.973 6.570) 7.262 8.264 ( 1.609 -2.227 -7.313) 7.812 8.510 ( 2.593 1.000 0.691) 2.864 8.955 ( -4.525 -3.453 3.709) 6.794 9.075 ( -3.243 -2.688 3.768) 5.652 9.365 ( 0.312 2.115 1.504) 2.614 9.402 ( 2.444 2.779 1.534) 4.006 9.754 ( 4.519 0.652 -5.224) 6.938 9.853 ( -1.864 -2.212 -3.602) 4.620 10.207 ( -4.284 -3.123 -0.834) 5.367 10.273 ( 2.313 -4.806 -0.811) 5.395 11.931 ( 1.573 -0.296 0.444) 1.661 12.056 ( -3.280 -0.672 1.235) 3.569 12.125 ( 0.963 -0.968 1.254) 1.854 12.210 ( 0.798 -1.523 2.788) 3.275 15.478 ( -1.222 8.573 4.274) 9.657 15.545 ( -3.312 4.876 4.444) 7.382 15.576 ( 1.585 11.949 2.022) 12.222 15.700 ( 0.783 14.620 2.045) 14.784 16.347 ( 0.842 -7.560 -2.685) 8.066 16.450 ( -2.550 -8.311 0.961) 8.746 16.608 ( -0.012 -0.190 -6.863) 6.865 16.692 ( 2.905 -3.068 -4.566) 6.221 19.208 ( 0.824 0.795 2.649) 2.886 19.255 ( 0.127 0.688 2.489) 2.586 20.100 ( 0.330 1.163 -1.291) 1.769 20.123 ( -0.602 0.925 -1.612) 1.954 ======================= Grid point 125 (57/160) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -10.507 -0.285 -9.456) 14.138 2.045 ( -5.980 5.961 -2.138) 8.710 2.301 ( 7.350 -1.362 -4.398) 8.673 2.401 ( -2.841 3.349 6.444) 7.798 2.578 ( 3.735 1.953 -1.022) 4.337 2.682 ( -0.681 -2.537 1.245) 2.907 2.781 ( 4.567 -4.107 4.337) 7.519 2.890 ( 4.418 -4.199 4.692) 7.692 2.945 ( 5.273 1.950 5.352) 7.763 3.034 ( 2.994 3.957 -1.794) 5.277 3.196 ( 2.606 0.979 -2.379) 3.662 3.368 ( 4.201 -3.586 -4.243) 6.965 3.511 ( -5.074 -11.417 -8.514) 15.119 3.673 ( -1.496 -8.034 -3.793) 9.010 3.740 ( 0.685 -9.725 -3.129) 10.239 4.002 ( -22.310 6.413 -9.414) 25.049 4.106 ( 16.432 -14.816 -3.041) 22.333 4.473 ( -2.979 2.783 3.852) 5.609 4.570 ( 5.484 -1.583 2.661) 6.298 4.594 ( 3.384 -1.721 3.681) 5.288 4.966 ( -4.730 5.108 -1.779) 7.186 5.142 ( -2.395 5.136 4.615) 7.309 5.218 ( 9.755 -0.521 0.287) 9.773 5.445 ( 1.170 5.520 -0.666) 5.682 5.551 ( -1.830 2.109 1.353) 3.102 5.715 ( -0.389 -1.283 1.121) 1.748 5.838 ( -0.763 6.883 -0.293) 6.931 5.861 ( 0.534 2.507 -2.059) 3.288 6.788 ( 1.204 10.417 8.020) 13.202 6.861 ( -1.036 14.754 1.478) 14.864 7.223 ( -2.118 13.134 -6.141) 14.653 7.377 ( -2.161 5.599 -7.634) 9.711 7.677 ( -2.524 0.784 2.988) 3.990 8.017 ( 1.645 -3.595 0.468) 3.981 8.236 ( 2.295 3.058 -1.723) 4.193 8.536 ( -0.667 2.580 0.876) 2.805 8.852 ( -8.068 -1.038 0.852) 8.179 9.082 ( -2.118 -0.799 4.044) 4.635 9.379 ( -0.908 5.060 1.729) 5.424 9.569 ( 10.809 -1.853 3.060) 11.385 9.692 ( -8.086 -0.784 -4.873) 9.473 9.765 ( 3.671 -1.329 -5.580) 6.810 10.168 ( 1.753 -3.080 -1.962) 4.051 10.357 ( 7.107 -5.833 0.389) 9.202 11.861 ( -9.228 1.086 -1.436) 9.402 12.033 ( -2.113 -1.601 3.010) 4.011 12.150 ( -0.695 -1.327 1.995) 2.495 12.219 ( -3.548 -0.907 2.590) 4.485 15.520 ( 0.031 7.427 3.678) 8.288 15.553 ( -0.048 7.828 5.304) 9.456 15.689 ( 6.813 10.274 2.530) 12.585 15.809 ( 5.664 11.243 5.575) 13.769 16.270 ( -4.204 -6.855 -3.802) 8.895 16.373 ( -6.578 -7.901 -0.004) 10.281 16.524 ( 0.948 0.400 -8.635) 8.696 16.691 ( 2.573 -2.539 -4.687) 5.919 19.246 ( -0.515 0.301 2.860) 2.922 19.289 ( -0.045 -0.830 2.711) 2.836 20.091 ( -0.055 0.923 -1.946) 2.154 20.101 ( 1.160 1.333 -1.414) 2.263 ======================= Grid point 126 (58/160) ======================= q-point: (-0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -13.142 7.009 -7.293) 16.584 1.821 ( -13.253 13.632 -5.659) 19.837 2.449 ( 11.999 -5.489 -0.647) 13.211 2.484 ( 1.652 -1.097 9.161) 9.374 2.653 ( 3.833 -2.583 1.551) 4.875 2.742 ( 6.620 -4.950 -1.056) 8.333 2.813 ( -3.455 -1.765 1.482) 4.153 2.999 ( -0.241 0.606 6.660) 6.692 3.038 ( 1.148 -2.212 -1.452) 2.885 3.136 ( 6.965 2.424 -2.963) 7.948 3.194 ( 2.357 -2.371 -8.012) 8.682 3.338 ( -0.184 1.647 -7.909) 8.081 3.405 ( 2.785 2.101 -1.957) 4.000 3.495 ( -13.441 11.370 -10.882) 20.697 3.633 ( -1.131 -8.959 0.951) 9.080 3.781 ( 4.141 -8.558 0.072) 9.508 4.401 ( 13.264 -11.768 5.751) 18.641 4.431 ( -1.076 2.420 -0.907) 2.800 4.617 ( 1.258 1.565 -0.771) 2.151 4.711 ( -1.531 0.004 2.762) 3.158 4.877 ( -1.590 2.040 1.875) 3.194 5.165 ( -3.137 5.381 6.013) 8.658 5.247 ( 0.443 -6.265 -7.076) 9.462 5.532 ( 5.951 1.573 3.228) 6.950 5.547 ( -0.942 3.362 0.669) 3.556 5.679 ( -2.430 -1.110 -3.030) 4.039 5.868 ( 4.378 3.216 3.061) 6.235 5.903 ( 4.089 0.001 -0.948) 4.197 6.634 ( -13.841 9.058 -3.661) 16.942 6.968 ( 3.285 10.905 3.960) 12.058 7.191 ( -1.130 14.790 0.514) 14.842 7.324 ( 4.547 6.061 -2.453) 7.964 7.599 ( -8.876 -1.979 0.045) 9.094 8.021 ( 0.884 -5.657 -2.197) 6.132 8.280 ( 2.142 3.508 0.901) 4.208 8.514 ( -5.240 0.900 4.415) 6.911 8.777 ( 2.765 7.203 -3.863) 8.629 9.059 ( -6.697 0.789 3.342) 7.526 9.364 ( -3.466 5.888 0.766) 6.875 9.524 ( -3.287 1.230 -1.207) 3.712 9.739 ( 5.321 -3.180 -3.032) 6.901 9.828 ( 11.174 -1.999 -2.656) 11.658 10.221 ( 5.436 -2.786 1.442) 6.276 10.498 ( 7.864 -7.386 0.495) 10.800 11.638 ( -13.328 2.696 -2.212) 13.777 11.963 ( -11.277 -5.410 2.081) 12.679 12.161 ( -5.364 0.414 1.886) 5.701 12.168 ( -0.305 -1.047 1.835) 2.134 15.577 ( 2.891 6.741 2.506) 7.751 15.673 ( 2.630 3.525 9.437) 10.412 15.859 ( 10.215 10.019 0.720) 14.326 15.997 ( 6.924 6.650 5.790) 11.211 16.150 ( -5.129 -4.530 -1.068) 6.926 16.246 ( -7.042 -6.975 -0.221) 9.914 16.422 ( 0.439 0.591 -10.345) 10.371 16.656 ( 0.673 -1.786 -5.388) 5.716 19.257 ( -1.161 0.273 1.159) 1.663 19.302 ( -2.206 -1.602 2.181) 3.491 20.072 ( 0.832 0.356 -1.840) 2.051 20.112 ( 1.444 1.272 -0.791) 2.081 ======================= Grid point 127 (59/160) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -8.961 18.319 -0.641) 20.403 1.530 ( -12.868 20.344 -2.602) 24.213 2.610 ( 2.450 -3.071 -1.814) 4.327 2.646 ( 1.424 -2.228 8.828) 9.215 2.699 ( -2.916 -1.098 0.239) 3.125 2.723 ( -4.136 3.331 -0.335) 5.321 2.829 ( -11.776 5.710 0.490) 13.096 2.862 ( 3.865 6.112 -3.677) 8.112 2.990 ( 0.451 -8.934 -7.081) 11.409 3.123 ( 5.076 -4.832 -7.387) 10.182 3.204 ( 5.320 -2.871 4.929) 7.800 3.281 ( 7.796 9.284 0.540) 12.135 3.398 ( 0.601 3.607 -3.836) 5.299 3.508 ( 4.984 1.341 0.365) 5.174 3.700 ( 4.263 -7.839 0.885) 8.966 3.861 ( 7.261 -7.896 -2.149) 10.940 4.380 ( -3.897 -0.635 -6.818) 7.879 4.424 ( -8.824 5.672 3.377) 11.020 4.740 ( 9.791 2.923 2.869) 10.614 4.838 ( 9.544 -10.049 7.497) 15.757 4.922 ( 1.233 1.728 3.584) 4.166 5.124 ( -6.598 2.669 -1.834) 7.350 5.170 ( -1.728 -4.730 -1.477) 5.248 5.524 ( -4.119 0.659 -0.261) 4.180 5.591 ( -0.566 -2.344 1.975) 3.117 5.642 ( 2.514 2.932 -2.628) 4.672 5.925 ( 1.256 0.826 -3.533) 3.840 6.043 ( 9.302 -2.022 3.858) 10.271 6.383 ( -9.818 7.531 -0.580) 12.387 7.018 ( 1.120 10.807 -1.913) 11.032 7.177 ( -1.219 14.489 1.974) 14.673 7.290 ( -13.541 -1.069 -1.551) 13.672 7.503 ( 3.668 3.131 0.176) 4.826 8.004 ( -0.590 -6.770 -1.323) 6.923 8.321 ( 1.987 -0.623 0.755) 2.215 8.466 ( -5.805 -4.835 3.398) 8.284 8.867 ( 8.986 13.291 -1.211) 16.089 8.965 ( -2.022 6.681 -1.296) 7.100 9.295 ( -3.613 2.324 -0.724) 4.357 9.531 ( 0.660 6.192 3.613) 7.199 9.821 ( 8.325 -3.378 -1.419) 9.096 9.942 ( 6.075 -1.896 -3.395) 7.213 10.397 ( 10.479 -1.761 3.093) 11.067 10.617 ( 5.333 -8.648 0.265) 10.164 11.371 ( -14.778 3.180 -1.239) 15.167 11.687 ( -22.070 -7.222 0.035) 23.221 12.077 ( -5.114 1.632 -0.066) 5.369 12.185 ( -0.385 -2.096 0.961) 2.338 15.668 ( 3.973 2.946 1.403) 5.141 15.813 ( -0.089 -3.181 6.353) 7.106 15.974 ( 0.322 -3.277 -0.304) 3.307 16.074 ( -1.868 -3.915 2.508) 5.011 16.151 ( 0.876 2.626 2.025) 3.430 16.243 ( 6.680 5.735 3.279) 9.395 16.308 ( 3.040 2.867 -8.736) 9.684 16.617 ( 3.117 1.877 -4.010) 5.415 19.222 ( -3.098 -0.787 -1.306) 3.453 19.268 ( -3.404 -0.169 0.644) 3.469 20.080 ( 1.804 -0.480 -0.573) 1.953 20.129 ( 1.122 1.027 -0.054) 1.522 ======================= Grid point 128 (60/160) ======================= q-point: (-0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -2.615 25.172 5.702) 25.942 1.378 ( -6.401 25.569 7.725) 27.467 2.331 ( -19.564 31.540 6.947) 37.760 2.584 ( -1.850 2.361 -6.846) 7.475 2.668 ( -2.113 -0.434 -4.777) 5.241 2.761 ( 3.109 -1.772 0.026) 3.579 2.792 ( 0.797 -4.096 -0.701) 4.232 2.947 ( 6.295 -8.559 -0.521) 10.637 3.046 ( 5.087 -5.709 4.020) 8.639 3.171 ( 3.309 -9.073 -0.029) 9.657 3.352 ( 1.969 2.847 -5.091) 6.157 3.364 ( 4.551 -1.757 3.709) 6.128 3.440 ( 4.092 3.009 9.202) 10.510 3.585 ( 5.722 4.575 -3.640) 8.181 3.783 ( 3.282 -8.219 5.973) 10.677 3.892 ( -0.469 -11.058 -7.536) 13.390 4.251 ( 2.661 6.181 -1.182) 6.833 4.390 ( -5.699 6.268 4.278) 9.491 4.824 ( 0.378 1.171 -2.782) 3.042 4.932 ( -5.784 1.983 0.597) 6.144 4.976 ( -3.574 3.630 -0.660) 5.137 5.066 ( 1.490 -5.364 0.665) 5.607 5.203 ( 8.812 -1.504 3.532) 9.612 5.412 ( -4.899 -1.687 -1.410) 5.370 5.610 ( 0.856 -2.743 -1.712) 3.345 5.675 ( 1.993 -1.218 2.998) 3.800 5.846 ( -5.009 6.715 -2.091) 8.634 6.255 ( 5.280 -0.532 4.126) 6.722 6.333 ( 6.738 -1.192 1.267) 6.959 6.858 ( -16.418 -3.966 -8.277) 18.810 7.057 ( -2.136 13.323 -2.348) 13.696 7.231 ( -0.446 16.612 6.086) 17.698 7.572 ( 3.209 0.084 -1.333) 3.476 7.968 ( -1.122 -8.447 -1.719) 8.693 8.327 ( -0.453 -3.459 -4.944) 6.051 8.453 ( -2.118 -5.562 8.673) 10.518 8.862 ( -3.410 3.951 1.061) 5.326 9.111 ( 17.168 18.032 -11.553) 27.447 9.236 ( -1.882 -0.784 0.791) 2.187 9.639 ( 5.524 5.661 5.625) 9.706 9.958 ( 2.544 -5.613 4.404) 7.574 9.985 ( 5.464 2.534 -3.281) 6.858 10.562 ( 8.821 -2.927 -6.622) 11.411 10.724 ( 4.736 -6.923 5.838) 10.219 11.122 ( -14.682 2.393 2.196) 15.037 11.265 ( -25.150 -1.940 4.028) 25.544 11.993 ( -2.487 1.782 -2.701) 4.081 12.167 ( -0.981 -2.540 -2.242) 3.528 15.717 ( 1.167 -5.718 -0.241) 5.840 15.779 ( -4.266 -8.634 -1.345) 9.723 16.006 ( 0.867 -1.608 2.032) 2.732 16.035 ( -1.643 -0.810 -7.874) 8.084 16.103 ( -2.012 1.361 -0.098) 2.431 16.292 ( -0.313 -1.301 6.419) 6.557 16.513 ( 13.193 6.927 0.466) 14.909 16.692 ( 5.830 5.903 1.219) 8.386 19.134 ( -2.975 -0.446 -3.218) 4.405 19.207 ( -2.927 0.490 -1.372) 3.269 20.114 ( 1.664 -0.973 0.948) 2.148 20.150 ( 0.500 0.756 1.158) 1.471 ======================= Grid point 129 (61/160) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -0.505 20.129 3.274) 20.400 1.907 ( -2.296 21.247 3.200) 21.609 2.426 ( -0.746 -4.559 -6.865) 8.275 2.583 ( 1.581 -2.257 -2.820) 3.943 2.651 ( 0.808 1.916 -3.869) 4.392 2.712 ( -0.850 -9.271 -2.985) 9.777 2.756 ( -2.128 -1.128 10.229) 10.509 2.832 ( 3.312 -12.009 5.558) 13.641 2.920 ( 0.882 -0.805 -6.779) 6.883 3.173 ( 1.853 -13.148 -13.417) 18.876 3.333 ( -1.679 0.397 1.428) 2.240 3.442 ( 3.319 -4.809 1.211) 5.967 3.473 ( 0.311 22.665 6.676) 23.630 3.692 ( -0.684 2.689 10.102) 10.476 3.884 ( -0.812 4.386 14.554) 15.223 4.030 ( 3.706 9.494 9.343) 13.826 4.350 ( -3.116 -0.214 6.398) 7.119 4.493 ( -1.928 -1.774 3.157) 4.103 4.816 ( 6.943 5.984 -4.388) 10.162 4.905 ( -6.286 1.972 -4.272) 7.852 4.950 ( -3.738 3.448 -3.642) 6.255 5.148 ( 4.565 2.981 -3.030) 6.238 5.195 ( -8.181 -2.190 0.122) 8.470 5.329 ( 3.106 -5.535 0.571) 6.372 5.453 ( -1.407 -6.534 -1.635) 6.880 5.607 ( 3.202 -8.492 -0.464) 9.087 6.041 ( 4.541 11.906 -1.037) 12.785 6.259 ( -5.731 -0.406 1.723) 5.998 6.379 ( -11.727 -2.519 -5.263) 13.098 6.504 ( 15.660 -7.133 -2.053) 17.330 7.305 ( 1.888 12.116 -4.904) 13.207 7.537 ( -4.673 6.974 2.211) 8.681 7.562 ( 0.655 0.264 -3.987) 4.049 7.752 ( 1.112 -8.489 -1.396) 8.675 8.218 ( -1.140 2.422 3.188) 4.162 8.455 ( -0.694 -5.000 10.079) 11.272 8.935 ( -0.511 5.814 0.731) 5.882 9.183 ( 0.953 -3.023 2.040) 3.769 9.541 ( 8.153 14.343 -7.528) 18.134 9.708 ( -8.344 1.441 1.770) 8.651 9.909 ( 0.409 -4.036 5.801) 7.078 10.122 ( 2.424 2.820 -11.306) 11.902 10.415 ( -1.825 -6.359 -4.244) 7.859 10.634 ( -1.167 -8.666 -2.678) 9.145 11.140 ( -0.447 5.262 10.548) 11.796 11.210 ( 0.777 2.106 10.149) 10.394 11.969 ( 0.682 1.794 -4.677) 5.056 12.057 ( 0.115 -2.426 -4.885) 5.455 15.557 ( -0.039 -5.709 0.029) 5.709 15.564 ( -0.227 -5.984 -0.075) 5.989 15.876 ( -2.671 0.456 -9.025) 9.423 15.905 ( -2.637 -0.923 -7.978) 8.453 16.252 ( 2.498 2.868 7.390) 8.311 16.353 ( 1.313 -1.881 7.720) 8.054 16.763 ( 2.082 3.647 0.384) 4.217 16.804 ( -1.381 1.805 -0.098) 2.275 19.092 ( 0.922 1.105 -3.157) 3.470 19.146 ( -0.101 -0.796 -3.167) 3.267 20.138 ( 0.034 0.134 2.406) 2.410 20.174 ( -0.171 -0.545 1.958) 2.040 ======================= Grid point 130 (62/160) ======================= q-point: ( 0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -0.504 15.179 4.828) 15.936 1.983 ( 2.763 15.710 4.884) 16.682 2.320 ( -0.667 -1.781 -8.114) 8.334 2.536 ( 2.419 -0.363 -8.095) 8.457 2.601 ( -3.620 -2.663 0.088) 4.495 2.659 ( -1.030 -8.329 -2.732) 8.826 2.798 ( -3.056 -1.790 -2.911) 4.584 2.902 ( -0.336 -6.110 5.386) 8.152 2.961 ( 0.976 -9.733 6.330) 11.652 3.035 ( 3.204 -11.785 -12.426) 17.423 3.326 ( 0.424 1.281 -1.664) 2.142 3.449 ( 1.144 -0.147 -3.323) 3.518 3.624 ( -0.062 19.752 14.124) 24.283 3.851 ( -3.560 2.992 17.426) 18.036 3.989 ( -6.536 5.793 13.765) 16.302 4.117 ( -8.985 9.653 8.701) 15.799 4.382 ( -2.138 -0.677 4.659) 5.171 4.496 ( -1.600 6.632 -0.927) 6.885 4.744 ( -3.504 -0.307 -2.104) 4.099 4.821 ( 0.425 -3.382 0.621) 3.464 4.882 ( 0.050 4.434 -5.442) 7.020 5.056 ( -1.735 3.825 -5.027) 6.551 5.141 ( -1.350 -4.941 -0.947) 5.208 5.396 ( 6.504 -4.354 -0.429) 7.839 5.454 ( 1.481 -3.786 -0.783) 4.140 5.657 ( 3.496 -8.375 -3.735) 9.814 6.011 ( -7.916 2.382 -1.939) 8.491 6.068 ( -9.352 -1.171 -1.494) 9.543 6.386 ( 12.782 7.857 0.152) 15.005 6.774 ( 16.550 -8.678 -3.366) 18.988 7.287 ( 2.322 9.197 -3.491) 10.107 7.436 ( -2.065 4.518 -5.070) 7.098 7.577 ( 1.170 1.862 2.687) 3.473 7.786 ( 4.193 -7.588 -1.604) 8.816 8.274 ( -0.234 6.720 6.922) 9.650 8.535 ( -2.489 -2.710 6.942) 7.857 8.947 ( 0.426 7.520 1.208) 7.628 9.240 ( 2.256 3.247 1.127) 4.111 9.435 ( -6.420 6.097 -7.519) 11.616 9.660 ( -3.866 6.945 7.058) 10.630 9.894 ( -3.067 -3.335 -6.033) 7.545 10.097 ( 3.577 -5.299 1.057) 6.480 10.219 ( -11.737 -1.385 -5.039) 12.848 10.549 ( -4.189 -10.171 -3.115) 11.432 11.351 ( 8.727 4.196 9.135) 13.312 11.457 ( 10.382 -0.981 9.904) 14.382 11.940 ( 3.763 1.848 -6.559) 7.784 12.008 ( 2.637 -1.567 -6.722) 7.389 15.573 ( 2.130 -3.062 -1.469) 4.009 15.617 ( 5.108 -4.848 -0.262) 7.047 15.744 ( -1.213 -0.961 -5.809) 6.011 15.798 ( 0.591 -3.515 -4.421) 5.679 16.340 ( -1.333 5.014 4.348) 6.769 16.464 ( 2.343 -0.818 5.114) 5.685 16.657 ( -11.274 5.606 -0.491) 12.600 16.793 ( -2.270 0.111 1.456) 2.699 19.094 ( 3.622 0.310 -3.173) 4.826 19.134 ( 3.462 -0.799 -3.805) 5.206 20.161 ( -1.092 0.228 2.822) 3.034 20.190 ( -0.897 -0.399 2.041) 2.265 ======================= Grid point 131 (63/160) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 4.947 8.523 10.340) 14.284 2.088 ( 3.129 8.508 3.596) 9.752 2.254 ( 2.613 3.806 -4.284) 6.299 2.488 ( 1.368 -1.262 -5.186) 5.510 2.547 ( -3.414 -5.514 2.074) 6.809 2.609 ( -0.517 -5.712 -3.143) 6.540 2.662 ( -4.713 -0.199 -6.698) 8.193 2.839 ( -1.320 -4.758 -10.685) 11.771 2.992 ( -1.055 -6.549 4.162) 7.832 3.105 ( 2.594 -8.754 5.486) 10.652 3.254 ( -4.277 0.117 -4.958) 6.549 3.400 ( -0.223 -4.620 -4.191) 6.242 3.749 ( -8.549 8.945 6.810) 14.123 3.812 ( -13.516 5.385 7.018) 16.153 3.984 ( -9.952 2.877 9.581) 14.111 4.147 ( -1.019 10.969 13.309) 17.277 4.332 ( -8.931 -3.239 3.266) 10.046 4.419 ( 0.248 4.270 -3.227) 5.358 4.695 ( -2.201 -0.017 0.863) 2.365 4.758 ( -8.294 -0.235 -0.146) 8.298 4.949 ( 6.541 4.477 3.516) 8.671 4.999 ( 4.292 8.762 -9.703) 13.761 5.206 ( 3.835 -7.626 3.247) 9.133 5.470 ( 2.508 -7.285 0.393) 7.715 5.525 ( 7.336 -0.412 -0.277) 7.353 5.583 ( -2.799 -4.571 -5.763) 7.870 5.875 ( -1.623 2.144 -3.687) 4.564 5.961 ( -4.579 -1.810 1.860) 5.263 6.647 ( 14.777 8.501 0.728) 17.064 6.941 ( 8.724 -5.035 -5.063) 11.273 7.311 ( 4.101 5.725 -1.458) 7.192 7.425 ( 6.753 3.502 -2.365) 7.966 7.645 ( 1.064 4.226 4.553) 6.303 7.845 ( 4.439 -5.283 -1.372) 7.035 8.349 ( -0.936 7.374 6.172) 9.661 8.519 ( -5.061 2.797 0.845) 5.844 8.971 ( 0.637 6.773 1.091) 6.889 9.166 ( -5.054 10.915 -5.885) 13.390 9.376 ( 0.026 -7.445 4.291) 8.593 9.631 ( -8.584 -2.493 2.127) 9.188 9.796 ( 3.547 3.436 -5.296) 7.241 9.958 ( -10.628 3.626 -3.724) 11.831 10.191 ( 0.178 -6.413 6.757) 9.317 10.422 ( -5.898 -9.815 -3.284) 11.913 11.611 ( 9.712 3.029 6.754) 12.211 11.724 ( 8.615 -2.507 5.337) 10.440 11.944 ( 6.408 1.273 -6.868) 9.479 11.994 ( 4.851 -1.164 -5.938) 7.755 15.563 ( 0.125 2.805 -2.506) 3.763 15.617 ( -1.805 2.949 -1.795) 3.896 15.795 ( 9.286 -7.625 -0.538) 12.027 15.861 ( 8.112 -8.526 1.067) 11.817 16.300 ( -6.617 9.459 0.734) 11.567 16.408 ( -13.177 10.781 -1.641) 17.104 16.565 ( 1.746 -2.938 2.775) 4.402 16.762 ( -3.230 -4.210 1.651) 5.557 19.131 ( 4.655 0.075 -2.987) 5.531 19.163 ( 3.807 -0.297 -2.187) 4.401 20.168 ( -1.588 0.448 2.028) 2.615 20.190 ( -1.538 -0.199 1.525) 2.175 ======================= Grid point 132 (64/160) ======================= q-point: ( 0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 2.926 4.785 4.043) 6.913 2.244 ( 5.690 4.206 8.085) 10.744 2.304 ( 4.532 5.161 3.207) 7.580 2.451 ( -0.473 0.994 -10.037) 10.097 2.517 ( -2.073 -2.563 4.514) 5.589 2.551 ( -0.398 -2.387 1.719) 2.968 2.583 ( 1.686 -3.636 -3.355) 5.227 2.685 ( 0.441 -4.287 -11.427) 12.213 2.978 ( -3.606 0.154 -2.220) 4.238 3.070 ( -7.192 1.964 0.093) 7.455 3.241 ( 1.082 -9.839 4.924) 11.056 3.331 ( -2.201 -8.718 -4.139) 9.898 3.553 ( -10.769 4.632 -0.360) 11.729 3.624 ( -13.288 4.464 1.177) 14.067 3.961 ( -11.155 -10.369 8.306) 17.348 4.035 ( -14.208 -13.107 -4.108) 19.762 4.337 ( 3.315 9.836 0.527) 10.393 4.475 ( 1.917 5.463 5.767) 8.172 4.635 ( -1.271 6.001 -1.688) 6.362 4.726 ( -0.508 3.917 3.632) 5.366 4.964 ( 3.179 5.722 -5.643) 8.642 5.057 ( 2.662 5.373 3.299) 6.844 5.216 ( -3.219 -5.639 -0.468) 6.510 5.354 ( -4.868 -7.624 -7.870) 11.990 5.654 ( 7.843 1.424 3.498) 8.705 5.720 ( 8.226 -0.001 4.084) 9.184 5.829 ( 0.650 4.401 -2.669) 5.188 5.942 ( -1.055 -1.471 2.345) 2.962 6.828 ( 6.215 8.939 -2.271) 11.121 7.047 ( 9.568 3.168 -0.490) 10.090 7.384 ( 5.392 2.982 -0.186) 6.164 7.559 ( 10.512 -0.228 -3.135) 10.972 7.712 ( -0.678 6.265 6.006) 8.706 7.875 ( 0.616 0.464 -2.697) 2.805 8.369 ( -3.247 5.189 2.961) 6.800 8.417 ( -4.253 2.981 -1.260) 5.344 8.992 ( 0.298 2.762 0.196) 2.785 9.041 ( -4.545 4.261 -0.656) 6.264 9.404 ( 0.622 -6.758 -1.759) 7.010 9.488 ( -6.981 -6.034 0.259) 9.232 9.802 ( -2.092 7.382 -3.175) 8.304 9.851 ( 2.511 5.860 2.284) 6.772 10.243 ( -3.466 -6.296 5.640) 9.136 10.281 ( -5.230 -7.840 -3.211) 9.956 11.830 ( 7.467 1.001 4.654) 8.855 11.855 ( 4.468 0.004 -0.975) 4.573 12.002 ( 7.183 -0.678 -3.318) 7.941 12.039 ( 5.455 -1.695 -1.670) 5.951 15.550 ( -0.164 4.606 0.830) 4.683 15.586 ( -1.160 3.819 1.161) 4.157 15.962 ( 9.059 -5.152 0.383) 10.429 16.034 ( 6.962 -6.026 2.741) 9.607 16.147 ( -7.314 9.408 -3.313) 12.369 16.195 ( -8.924 9.901 0.056) 13.329 16.611 ( 1.389 -2.760 0.011) 3.090 16.719 ( -2.411 -5.698 -0.987) 6.265 19.171 ( 3.104 0.924 -1.644) 3.632 19.205 ( 2.675 -0.040 -0.379) 2.702 20.156 ( -1.374 0.643 0.376) 1.563 20.177 ( -1.562 -0.062 0.838) 1.774 ======================= Grid point 133 (65/160) ======================= q-point: ( 0.40 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -1.336 2.256 -9.632) 9.982 2.298 ( 1.064 3.028 -2.724) 4.210 2.328 ( 2.696 2.697 0.936) 3.926 2.458 ( 0.525 -0.320 6.942) 6.969 2.539 ( 2.072 -0.067 -1.843) 2.774 2.586 ( 0.067 1.124 7.539) 7.623 2.624 ( 4.340 2.137 -3.093) 5.741 2.701 ( 4.871 -1.632 4.687) 6.954 2.855 ( -1.194 2.148 -6.289) 6.753 2.983 ( -5.234 3.549 4.351) 7.676 3.230 ( -3.438 -8.706 -2.619) 9.719 3.266 ( -5.776 -6.733 1.924) 9.077 3.434 ( -1.484 -4.529 -2.192) 5.245 3.492 ( -0.864 -4.499 0.781) 4.648 3.724 ( -13.648 -14.418 -5.250) 20.536 3.780 ( -15.164 -15.353 2.379) 21.710 4.368 ( 3.683 8.333 -4.997) 10.391 4.535 ( 1.158 2.049 -1.515) 2.799 4.640 ( 2.657 7.625 -1.933) 8.303 4.722 ( -0.747 6.312 -3.206) 7.119 4.996 ( 3.076 1.935 1.154) 3.813 5.127 ( -3.495 -1.315 1.771) 4.133 5.191 ( 1.544 0.176 5.411) 5.630 5.237 ( -1.999 -0.903 2.338) 3.206 5.763 ( 2.413 4.041 -6.443) 7.979 5.771 ( 3.952 1.918 -1.710) 4.714 5.910 ( 1.593 2.848 5.569) 6.454 5.964 ( -0.358 -0.444 2.014) 2.093 6.880 ( 3.464 14.009 -0.953) 14.462 7.164 ( 3.613 10.723 -1.167) 11.375 7.500 ( 7.888 -1.933 -0.627) 8.146 7.645 ( 3.412 -2.321 -4.003) 5.749 7.766 ( 0.280 5.505 0.934) 5.591 7.812 ( -2.067 6.625 0.105) 6.941 8.312 ( -4.343 1.182 -0.529) 4.532 8.408 ( 0.487 -2.165 4.608) 5.114 8.947 ( -0.592 1.670 -2.723) 3.249 9.028 ( -3.290 -1.192 5.127) 6.208 9.378 ( -0.340 -2.425 -1.084) 2.679 9.419 ( -1.643 -1.888 -0.002) 2.503 9.783 ( 3.750 5.238 -3.985) 7.575 9.896 ( -0.156 3.579 0.511) 3.619 10.172 ( -2.741 -6.110 -1.933) 6.970 10.216 ( -4.980 -5.248 1.478) 7.384 11.904 ( 3.180 1.427 -0.846) 3.586 11.971 ( 3.517 -1.452 3.349) 5.069 12.097 ( 4.695 -1.088 0.548) 4.851 12.102 ( 2.823 -1.104 -0.035) 3.031 15.574 ( -0.813 5.012 4.208) 6.595 15.600 ( -0.769 4.020 3.565) 5.428 15.940 ( -6.190 13.997 -1.164) 15.349 16.044 ( -4.448 10.636 -1.763) 11.662 16.142 ( 6.647 -4.871 0.549) 8.259 16.222 ( 5.046 -8.486 2.288) 10.135 16.616 ( 1.317 -3.168 -2.590) 4.299 16.655 ( -1.514 -4.311 -3.662) 5.855 19.200 ( 1.451 1.329 0.043) 1.967 19.238 ( 0.977 -0.121 0.640) 1.175 20.136 ( -0.616 0.865 -0.656) 1.249 20.158 ( -1.015 0.055 -0.211) 1.039 ======================= Grid point 134 (66/160) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 1.565 -0.059 -9.976) 10.099 2.155 ( -4.072 -1.818 -9.477) 10.474 2.429 ( -2.548 4.743 0.055) 5.384 2.509 ( 4.247 -0.486 1.320) 4.474 2.604 ( 5.736 5.201 0.740) 7.778 2.622 ( -7.785 6.192 1.231) 10.023 2.692 ( -1.038 2.819 6.606) 7.257 2.720 ( 1.861 2.286 5.867) 6.566 2.915 ( 3.919 -0.515 2.640) 4.753 3.002 ( 0.749 -1.953 -0.879) 2.269 3.144 ( -1.049 -5.210 0.219) 5.319 3.215 ( 0.960 -6.027 0.944) 6.176 3.441 ( 4.596 -10.670 -4.530) 12.470 3.462 ( -5.991 -9.472 -3.661) 11.791 3.570 ( -1.555 -12.683 0.244) 12.781 3.606 ( 1.420 -12.407 0.200) 12.490 4.366 ( 4.163 3.796 -4.824) 7.417 4.441 ( -6.388 0.634 -7.515) 9.883 4.648 ( -0.340 6.515 -4.231) 7.776 4.665 ( 1.276 6.008 -1.559) 6.337 5.076 ( 0.672 -0.416 0.883) 1.186 5.082 ( 2.225 0.116 1.047) 2.462 5.246 ( -2.503 5.052 8.290) 10.026 5.377 ( 2.440 0.189 10.892) 11.163 5.713 ( 0.243 3.665 -7.420) 8.279 5.754 ( 0.007 1.174 -5.471) 5.596 5.943 ( -2.540 2.409 2.041) 4.052 5.957 ( -1.542 1.349 0.595) 2.133 6.921 ( 1.450 13.532 1.033) 13.649 7.186 ( 0.870 12.042 -1.112) 12.125 7.515 ( -2.419 -3.577 -6.458) 7.768 7.609 ( -0.428 8.137 -2.721) 8.591 7.761 ( 0.569 6.685 -0.215) 6.712 7.855 ( 3.194 -4.495 0.359) 5.526 8.272 ( -0.417 2.795 1.991) 3.457 8.485 ( -0.630 -3.980 6.859) 7.955 8.926 ( -1.345 1.210 0.250) 1.827 9.025 ( -1.055 -1.985 2.582) 3.423 9.385 ( 0.989 0.188 1.645) 1.928 9.431 ( 1.827 -0.476 1.175) 2.224 9.797 ( 3.406 3.562 -4.987) 7.011 9.847 ( -3.245 1.584 -3.629) 5.119 10.124 ( -2.375 -4.370 -1.791) 5.287 10.159 ( 1.394 -5.634 -1.219) 5.930 11.943 ( 0.210 1.331 1.463) 1.989 12.026 ( -2.030 -1.982 2.736) 3.941 12.121 ( 0.709 0.501 0.598) 1.054 12.175 ( 1.157 -1.705 2.459) 3.208 15.612 ( -2.027 5.031 5.959) 8.058 15.632 ( -1.870 3.806 5.108) 6.639 15.878 ( 0.944 13.379 -0.975) 13.448 15.986 ( 0.529 9.623 -1.612) 9.771 16.213 ( 0.444 -3.509 0.254) 3.546 16.281 ( -1.700 -6.638 2.275) 7.220 16.588 ( -0.029 -2.112 -5.201) 5.613 16.610 ( 2.945 -4.144 -4.072) 6.514 19.224 ( 0.649 0.666 1.064) 1.413 19.256 ( 0.056 -0.553 0.953) 1.104 20.123 ( 0.196 0.949 -0.874) 1.305 20.137 ( -0.541 0.404 -1.093) 1.285 ======================= Grid point 135 (67/160) ======================= q-point: (-0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -2.699 1.831 -9.371) 9.923 2.095 ( 5.552 -1.530 -3.125) 6.552 2.329 ( -2.465 4.215 -5.061) 7.032 2.483 ( -7.159 2.082 1.629) 7.631 2.563 ( 1.884 -1.366 -2.500) 3.415 2.648 ( -7.010 -1.468 1.907) 7.412 2.734 ( 2.306 1.446 3.474) 4.413 2.852 ( 2.521 1.721 6.671) 7.336 2.992 ( 5.848 1.722 6.053) 8.591 3.104 ( 0.670 -9.464 -4.607) 10.547 3.111 ( 2.916 2.337 1.427) 4.000 3.282 ( 5.270 -3.377 0.661) 6.294 3.372 ( 5.931 -2.516 -5.294) 8.339 3.497 ( -1.074 -5.482 1.126) 5.699 3.566 ( 6.120 -6.782 -4.040) 9.989 3.758 ( 14.585 -15.976 -2.589) 21.787 4.172 ( -10.876 7.935 -10.107) 16.835 4.445 ( 7.238 -5.090 2.500) 9.195 4.582 ( -3.336 4.876 -1.145) 6.018 4.664 ( 0.175 3.147 -1.208) 3.375 5.059 ( -1.806 3.859 -0.520) 4.292 5.171 ( 4.054 -1.184 -0.951) 4.329 5.300 ( -2.728 6.787 7.415) 10.416 5.522 ( 1.051 -0.452 7.829) 7.912 5.570 ( -3.920 2.100 -6.568) 7.932 5.690 ( -1.565 -1.691 -2.953) 3.745 5.913 ( -1.429 2.419 0.068) 2.810 5.938 ( -1.568 2.531 0.497) 3.019 6.973 ( 0.065 7.263 4.171) 8.376 7.096 ( -6.429 5.619 -4.919) 9.854 7.442 ( -0.361 7.897 -0.221) 7.908 7.549 ( -0.355 10.838 -4.720) 11.827 7.721 ( -4.635 1.561 -1.292) 5.058 7.894 ( 2.494 -7.134 -2.574) 7.984 8.323 ( 1.026 4.619 3.030) 5.619 8.522 ( -4.764 -3.775 6.071) 8.590 8.909 ( 1.768 5.939 -0.940) 6.268 9.072 ( 1.155 -0.389 3.065) 3.298 9.436 ( 1.170 -0.492 2.282) 2.611 9.483 ( 0.189 -4.701 1.825) 5.046 9.732 ( -0.407 4.115 -4.323) 5.983 9.786 ( 2.599 3.140 -5.160) 6.576 10.091 ( 1.921 -3.596 -2.002) 4.542 10.215 ( 5.533 -7.322 -0.685) 9.203 11.893 ( -7.764 1.982 0.019) 8.013 11.991 ( -5.371 -2.320 2.535) 6.377 12.143 ( -0.373 0.539 1.999) 2.104 12.195 ( -2.337 -1.314 2.890) 3.942 15.652 ( -1.749 5.149 6.340) 8.352 15.666 ( -1.511 4.201 6.142) 7.593 15.930 ( 4.593 8.415 -0.646) 9.609 16.008 ( 2.648 3.120 -1.749) 4.450 16.186 ( -3.321 2.245 2.257) 4.601 16.240 ( -4.187 -2.718 1.549) 5.227 16.522 ( 0.175 -0.776 -6.599) 6.647 16.610 ( 2.924 -4.989 -5.089) 7.703 19.247 ( 0.179 -0.190 1.389) 1.413 19.264 ( -0.414 -1.291 0.957) 1.660 20.111 ( -0.384 0.960 -1.433) 1.768 20.123 ( 0.727 0.665 -0.930) 1.354 ======================= Grid point 136 (68/160) ======================= q-point: (-0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -2.409 11.089 -4.826) 12.332 2.105 ( -5.407 11.971 -2.329) 13.340 2.311 ( 10.137 -6.821 -4.131) 12.898 2.447 ( -1.408 -1.612 5.395) 5.804 2.551 ( 0.495 -5.599 0.823) 5.681 2.625 ( 2.073 -6.211 -0.547) 6.570 2.779 ( 0.356 -1.757 1.507) 2.341 2.906 ( -5.311 -7.928 -5.631) 11.081 2.985 ( -0.369 1.604 7.770) 7.943 3.167 ( 4.773 2.542 0.302) 5.416 3.282 ( 9.506 5.211 0.689) 10.862 3.372 ( 3.327 -2.836 -3.101) 5.360 3.425 ( 6.038 3.144 -2.297) 7.185 3.503 ( 3.748 -2.315 -3.085) 5.378 3.583 ( 3.560 -5.793 -5.209) 8.566 3.891 ( -7.525 19.373 -5.678) 21.545 4.039 ( 18.049 -18.347 -0.324) 25.739 4.509 ( -3.600 2.394 -0.339) 4.337 4.638 ( 6.083 -8.191 7.696) 12.780 4.665 ( 1.115 1.649 0.316) 2.016 4.962 ( -4.371 6.390 -5.040) 9.238 5.143 ( -2.091 -2.129 -6.518) 7.169 5.312 ( -3.567 6.475 5.233) 9.057 5.526 ( -0.857 -2.293 3.101) 3.951 5.603 ( 1.644 1.237 0.496) 2.116 5.632 ( -2.104 -1.965 0.346) 2.899 5.906 ( 0.359 0.767 0.277) 0.891 5.927 ( 0.175 1.283 0.969) 1.617 6.831 ( -12.244 9.142 -3.086) 15.589 7.083 ( 0.857 -0.208 2.898) 3.030 7.429 ( -1.558 8.412 0.648) 8.580 7.514 ( -1.677 9.641 -1.426) 9.889 7.599 ( -4.421 1.785 -1.490) 4.995 7.885 ( 0.251 -7.068 -2.055) 7.365 8.331 ( -2.514 2.193 0.215) 3.343 8.468 ( -6.631 -3.749 1.975) 7.870 8.994 ( 6.730 10.491 0.506) 12.474 9.098 ( -0.733 3.164 1.488) 3.573 9.374 ( -6.875 -3.467 -2.430) 8.074 9.535 ( 5.842 -4.131 1.626) 7.337 9.749 ( 4.365 7.036 -4.995) 9.670 9.848 ( 8.368 3.426 1.353) 9.143 10.146 ( 5.255 -3.902 1.653) 6.751 10.311 ( 6.256 -10.031 -0.924) 11.858 11.705 ( -12.642 3.528 -1.214) 13.181 11.863 ( -12.609 -4.138 0.976) 13.306 12.154 ( -1.127 0.005 1.816) 2.137 12.169 ( -4.204 -0.041 2.122) 4.710 15.704 ( -1.140 5.205 5.643) 7.761 15.738 ( 0.132 3.457 7.052) 7.855 15.928 ( -3.771 -4.113 -1.410) 5.756 15.984 ( -4.736 -5.586 2.021) 7.597 16.212 ( 3.291 8.752 1.828) 9.528 16.269 ( 5.823 7.655 1.397) 9.719 16.427 ( -0.906 -0.387 -7.914) 7.975 16.588 ( 3.379 -4.692 -6.070) 8.383 19.248 ( -1.453 -0.813 0.169) 1.673 19.269 ( -1.040 -1.442 1.718) 2.473 20.089 ( 0.105 1.270 -1.458) 1.937 20.128 ( 0.867 0.139 -0.647) 1.091 ======================= Grid point 137 (69/160) ======================= q-point: (-0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 0.286 19.401 1.077) 19.433 1.957 ( -6.099 19.567 -1.929) 20.586 2.461 ( 7.065 -9.450 0.802) 11.826 2.524 ( 3.014 -5.364 1.867) 6.430 2.610 ( 3.386 -4.415 2.413) 6.065 2.669 ( 2.038 -6.099 0.357) 6.441 2.740 ( -3.720 -8.379 -3.439) 9.792 2.812 ( 1.195 -7.583 -0.371) 7.685 3.071 ( -0.844 6.070 1.432) 6.293 3.143 ( 2.019 5.150 -7.692) 9.474 3.270 ( -5.979 -0.034 -0.077) 5.980 3.399 ( 2.837 -0.880 1.819) 3.483 3.502 ( -0.225 1.882 -1.941) 2.712 3.586 ( 10.186 -0.355 -0.858) 10.228 3.644 ( 7.999 9.201 -0.136) 12.193 3.795 ( 0.444 12.282 -4.331) 13.031 4.293 ( 7.557 -13.168 0.301) 15.185 4.463 ( -2.485 -0.550 3.584) 4.396 4.697 ( 3.494 2.593 -0.463) 4.375 4.810 ( 4.711 -5.200 6.014) 9.241 4.892 ( 0.423 0.277 -1.994) 2.057 5.046 ( 3.227 -0.801 -4.431) 5.540 5.296 ( -5.803 6.828 3.954) 9.794 5.506 ( -5.788 -3.533 0.582) 6.806 5.554 ( -3.005 0.594 0.734) 3.150 5.646 ( 1.219 -2.090 -3.533) 4.282 5.939 ( 3.230 0.864 0.076) 3.344 6.004 ( 6.317 -1.860 3.091) 7.275 6.587 ( -12.583 11.092 -1.302) 16.824 7.025 ( -9.904 -7.487 -2.012) 12.577 7.389 ( -2.342 9.274 -3.126) 10.063 7.470 ( 0.326 9.694 3.732) 10.393 7.590 ( 0.019 4.994 1.048) 5.103 7.862 ( -1.734 -6.416 -0.234) 6.650 8.285 ( -2.185 -1.782 1.585) 3.235 8.361 ( -5.844 -4.730 -1.202) 7.614 9.000 ( -5.028 4.277 1.829) 6.850 9.220 ( 11.503 7.205 -2.077) 13.731 9.244 ( -2.603 0.097 -2.436) 3.566 9.686 ( 7.315 -6.531 2.511) 10.122 9.766 ( 3.219 11.955 -2.626) 12.656 10.000 ( 8.189 6.323 -0.078) 10.346 10.323 ( 10.914 -5.193 2.289) 12.301 10.394 ( 4.036 -12.195 0.701) 12.864 11.450 ( -15.094 4.022 -0.722) 15.638 11.590 ( -18.953 -3.011 -0.244) 19.192 12.105 ( -4.400 0.991 -0.023) 4.510 12.146 ( -1.619 -1.534 0.504) 2.287 15.690 ( -5.896 -0.444 1.447) 6.087 15.749 ( -7.178 -3.217 0.868) 7.914 15.903 ( 1.769 -0.596 5.392) 5.706 15.993 ( -0.133 -3.399 7.274) 8.031 16.232 ( -1.869 3.518 -3.888) 5.566 16.293 ( -1.829 0.388 -6.116) 6.396 16.449 ( 11.943 7.652 -0.800) 14.207 16.635 ( 8.361 -0.552 -2.256) 8.677 19.205 ( -3.101 -0.229 -0.663) 3.180 19.255 ( -2.351 -1.338 0.578) 2.766 20.086 ( 0.913 1.044 -0.470) 1.464 20.137 ( 0.732 -0.357 -0.066) 0.817 ======================= Grid point 138 (70/160) ======================= q-point: (-0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.026 21.629 1.870) 21.710 1.902 ( -1.697 23.441 4.284) 23.890 2.523 ( -1.424 -5.270 -5.030) 7.423 2.551 ( 2.311 -4.245 1.384) 5.028 2.651 ( 0.340 -0.801 -0.419) 0.965 2.694 ( 1.872 -9.755 2.672) 10.286 2.728 ( -0.396 -4.634 1.289) 4.826 2.803 ( 0.203 -7.837 -2.729) 8.301 2.983 ( 1.945 3.916 -9.122) 10.116 3.175 ( 4.733 -1.760 1.797) 5.360 3.307 ( 0.102 -2.832 8.295) 8.765 3.395 ( -0.817 -4.452 -5.444) 7.080 3.473 ( -0.372 11.979 -0.940) 12.021 3.705 ( -1.756 7.182 -4.727) 8.775 3.712 ( 2.316 -1.261 8.317) 8.725 3.845 ( 7.276 12.415 5.467) 15.394 4.333 ( -1.465 -3.011 3.401) 4.773 4.489 ( -2.963 -1.316 5.410) 6.307 4.754 ( 5.304 -0.466 -4.718) 7.114 4.929 ( 5.487 -0.117 -0.148) 5.490 4.942 ( 4.580 -1.720 2.526) 5.506 5.178 ( 8.544 0.971 0.238) 8.603 5.199 ( -4.809 4.915 -0.066) 6.877 5.363 ( -9.954 -1.755 -0.267) 10.111 5.516 ( -2.252 -4.224 -1.176) 4.930 5.603 ( -1.280 -5.224 -1.258) 5.524 5.990 ( 3.970 5.987 -2.426) 7.582 6.201 ( 11.782 -4.138 2.319) 12.700 6.392 ( -8.856 6.583 0.789) 11.063 6.737 ( -16.210 -7.171 -5.618) 18.594 7.334 ( 0.908 11.576 -4.245) 12.363 7.542 ( -0.362 11.112 5.022) 12.200 7.585 ( 0.131 1.104 -1.507) 1.873 7.801 ( -3.789 -6.656 -1.379) 7.782 8.250 ( -2.629 -2.919 -2.688) 4.760 8.340 ( -0.585 -5.173 9.265) 10.628 8.949 ( -2.399 4.497 0.849) 5.167 9.174 ( -1.532 -4.865 -0.144) 5.102 9.420 ( 12.409 11.318 -3.188) 17.095 9.771 ( 2.365 1.685 -3.326) 4.415 9.823 ( 1.918 1.018 4.810) 5.277 10.136 ( 7.810 8.612 -2.844) 11.969 10.409 ( 5.467 -10.329 -5.730) 13.016 10.571 ( 7.447 -7.843 4.914) 11.879 11.200 ( -14.450 4.257 3.121) 15.383 11.273 ( -16.566 1.060 3.160) 16.898 12.028 ( -2.448 1.576 -2.441) 3.799 12.111 ( -1.366 -2.618 -1.973) 3.551 15.597 ( -4.811 -4.437 0.346) 6.554 15.623 ( -6.092 -5.683 -0.207) 8.334 16.002 ( 1.038 0.542 -1.083) 1.595 16.024 ( -0.716 -0.399 -5.880) 5.937 16.144 ( -0.807 2.340 1.483) 2.886 16.250 ( -0.655 -2.385 5.795) 6.301 16.645 ( 10.680 5.545 -0.727) 12.056 16.763 ( 5.998 0.956 0.319) 6.082 19.138 ( -2.264 0.939 -2.125) 3.243 19.204 ( -2.819 -0.987 -1.343) 3.274 20.107 ( 0.970 0.469 1.110) 1.547 20.153 ( 0.407 -0.565 1.037) 1.249 ======================= Grid point 139 (71/160) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -1.638 -9.539 -5.141) 10.959 2.224 ( -1.638 9.539 -5.141) 10.959 2.350 ( -0.060 -14.618 -0.074) 14.618 2.350 ( -0.060 14.618 -0.074) 14.618 2.645 ( 1.779 -4.254 3.487) 5.781 2.645 ( 1.779 4.254 3.487) 5.781 2.712 ( -0.763 -2.579 0.070) 2.690 2.712 ( -0.763 2.579 0.070) 2.690 2.968 ( 0.731 -4.831 -8.874) 10.130 2.968 ( 0.731 4.831 -8.874) 10.130 3.353 ( 2.265 -2.356 2.066) 3.867 3.353 ( 2.265 2.356 2.066) 3.867 3.725 ( -1.066 -0.893 10.795) 10.884 3.725 ( -1.066 0.893 10.795) 10.884 4.180 ( 4.310 -13.709 8.858) 16.881 4.180 ( 4.310 13.709 8.858) 16.881 4.275 ( -4.192 -6.781 7.808) 11.159 4.275 ( -4.192 6.781 7.808) 11.159 4.922 ( -2.112 -4.283 -2.933) 5.604 4.922 ( -2.112 4.283 -2.933) 5.604 5.076 ( 0.319 -9.927 -4.821) 11.040 5.076 ( 0.319 9.927 -4.821) 11.040 5.228 ( -2.188 -5.033 -0.285) 5.496 5.228 ( -2.188 5.033 -0.285) 5.496 5.440 ( 2.316 -5.853 -2.434) 6.749 5.440 ( 2.316 5.853 -2.434) 6.749 6.238 ( -3.612 -4.585 -1.127) 5.945 6.238 ( -3.612 4.585 -1.127) 5.945 6.364 ( 4.855 -3.483 -2.382) 6.432 6.364 ( 4.855 3.483 -2.382) 6.432 7.517 ( 1.948 -7.073 -6.419) 9.748 7.517 ( 1.948 7.073 -6.419) 9.748 7.615 ( -2.583 -3.673 -0.431) 4.511 7.615 ( -2.583 3.673 -0.431) 4.511 8.329 ( -0.719 -6.647 9.856) 11.910 8.329 ( -0.719 6.647 9.856) 11.910 9.069 ( 0.700 -6.640 2.315) 7.067 9.069 ( 0.700 6.640 2.315) 7.067 9.715 ( 0.228 -3.769 4.344) 5.756 9.715 ( 0.228 3.769 4.344) 5.756 9.997 ( 1.115 -11.761 -11.582) 16.544 9.997 ( 1.115 11.761 -11.582) 16.544 10.452 ( -1.774 -7.832 -2.267) 8.345 10.452 ( -1.774 7.832 -2.267) 8.345 11.218 ( 0.018 -1.720 9.304) 9.462 11.218 ( 0.018 1.720 9.304) 9.462 12.009 ( 0.458 -2.039 -4.467) 4.932 12.009 ( 0.458 2.039 -4.467) 4.932 15.497 ( -0.229 -0.199 -0.004) 0.304 15.497 ( -0.229 0.199 -0.004) 0.304 15.889 ( -2.726 -0.672 -8.715) 9.156 15.889 ( -2.726 0.672 -8.715) 9.156 16.307 ( 2.105 -2.428 7.896) 8.524 16.307 ( 2.105 2.428 7.896) 8.524 16.812 ( 0.526 -0.982 0.160) 1.126 16.812 ( 0.526 0.982 0.160) 1.126 19.121 ( 0.202 -1.464 -3.134) 3.465 19.121 ( 0.202 1.464 -3.134) 3.465 20.154 ( -0.079 -1.114 2.191) 2.459 20.154 ( -0.079 1.114 2.191) 2.459 ======================= Grid point 141 (72/160) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -0.961 -7.355 -3.575) 8.234 2.130 ( -0.961 7.355 -3.575) 8.234 2.366 ( 2.370 -11.746 -1.240) 12.047 2.366 ( 2.370 11.746 -1.240) 12.047 2.599 ( -4.949 -0.497 -1.803) 5.290 2.599 ( -4.949 0.497 -1.803) 5.290 2.800 ( 3.536 -1.314 4.243) 5.677 2.800 ( 3.536 1.314 4.243) 5.677 2.865 ( -0.576 -2.587 -5.799) 6.376 2.865 ( -0.576 2.587 -5.799) 6.376 3.389 ( 1.890 -3.720 -4.063) 5.824 3.389 ( 1.890 3.720 -4.063) 5.824 3.851 ( -5.493 -3.599 17.203) 18.414 3.851 ( -5.493 3.598 17.203) 18.414 4.215 ( -9.574 -10.592 6.870) 15.845 4.215 ( -9.574 10.592 6.870) 15.845 4.447 ( 4.122 -16.380 13.524) 21.638 4.447 ( 4.122 16.380 13.524) 21.638 4.721 ( -10.316 -2.809 -4.939) 11.777 4.721 ( -10.316 2.809 -4.939) 11.777 5.001 ( 0.314 -7.064 -4.458) 8.359 5.001 ( 0.314 7.064 -4.458) 8.359 5.244 ( 4.578 -9.327 -3.819) 11.070 5.244 ( 4.578 9.327 -3.819) 11.070 5.491 ( 5.771 -6.089 -3.550) 9.110 5.491 ( 5.771 6.089 -3.550) 9.110 6.043 ( -10.022 -1.177 -1.501) 10.202 6.043 ( -10.022 1.177 -1.501) 10.202 6.579 ( 15.746 -9.594 -1.563) 18.504 6.579 ( 15.746 9.594 -1.563) 18.504 7.433 ( 0.019 -4.096 -6.224) 7.450 7.433 ( 0.019 4.096 -6.224) 7.450 7.648 ( 4.218 -5.121 0.483) 6.652 7.648 ( 4.218 5.121 0.483) 6.652 8.431 ( -1.564 -6.854 9.632) 11.925 8.431 ( -1.564 6.854 9.632) 11.925 9.124 ( 0.796 -8.853 3.932) 9.720 9.124 ( 0.796 8.853 3.932) 9.720 9.659 ( -8.392 -9.415 -3.742) 13.156 9.659 ( -8.392 9.415 -3.742) 13.156 9.923 ( 2.732 -8.591 -3.546) 9.687 9.923 ( 2.732 8.591 -3.546) 9.687 10.333 ( -6.423 -9.499 -2.802) 11.804 10.333 ( -6.423 9.499 -2.802) 11.804 11.424 ( 8.553 -2.474 9.013) 12.670 11.424 ( 8.553 2.474 9.013) 12.670 11.975 ( 3.220 -1.557 -6.302) 7.247 11.975 ( 3.220 1.557 -6.302) 7.247 15.548 ( 6.120 -1.060 -0.218) 6.215 15.548 ( 6.120 1.060 -0.218) 6.215 15.752 ( -2.412 -1.217 -5.989) 6.570 15.752 ( -2.412 1.217 -5.989) 6.570 16.423 ( 1.724 -2.916 5.211) 6.215 16.423 ( 1.724 2.916 5.211) 6.215 16.757 ( -6.861 -3.436 0.268) 7.678 16.757 ( -6.861 3.436 0.268) 7.678 19.111 ( 3.276 -1.163 -3.392) 4.857 19.111 ( 3.276 1.163 -3.392) 4.857 20.175 ( -0.849 -0.864 2.419) 2.705 20.175 ( -0.849 0.864 2.419) 2.705 ======================= Grid point 143 (73/160) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 2.920 -3.446 2.518) 5.172 2.140 ( 2.920 3.446 2.518) 5.172 2.390 ( 3.178 -8.271 -2.858) 9.310 2.390 ( 3.178 8.271 -2.859) 9.310 2.507 ( -4.725 -1.140 1.676) 5.141 2.507 ( -4.725 1.140 1.676) 5.141 2.725 ( 0.283 -4.526 -11.149) 12.036 2.725 ( 0.283 4.526 -11.149) 12.036 2.963 ( 1.238 -4.132 9.129) 10.097 2.963 ( 1.238 4.132 9.129) 10.097 3.308 ( -2.592 -4.095 -7.492) 8.923 3.308 ( -2.592 4.095 -7.492) 8.923 3.880 ( -10.974 -3.019 9.393) 14.757 3.880 ( -10.974 3.019 9.393) 14.757 4.058 ( -15.750 -9.622 3.266) 18.744 4.058 ( -15.750 9.622 3.266) 18.744 4.505 ( -6.579 -7.332 3.910) 10.598 4.505 ( -6.579 7.332 3.910) 10.598 4.656 ( 0.287 -1.147 6.827) 6.928 4.656 ( 0.287 1.147 6.827) 6.928 5.059 ( 6.686 -6.280 -0.567) 9.190 5.059 ( 6.686 6.280 -0.567) 9.190 5.246 ( 2.831 -12.006 -6.753) 14.062 5.246 ( 2.831 12.006 -6.753) 14.062 5.534 ( 5.247 -1.068 -1.613) 5.593 5.534 ( 5.247 1.068 -1.613) 5.593 5.920 ( -2.883 -2.084 -0.457) 3.587 5.920 ( -2.883 2.084 -0.457) 3.587 6.811 ( 13.141 -7.007 -1.669) 14.986 6.811 ( 13.141 7.007 -1.669) 14.986 7.413 ( 4.636 -3.597 -3.573) 6.870 7.413 ( 4.636 3.597 -3.573) 6.870 7.740 ( 4.708 -4.705 1.680) 6.865 7.740 ( 4.708 4.705 1.680) 6.865 8.490 ( -3.508 -4.826 6.404) 8.752 8.490 ( -3.508 4.826 6.404) 8.752 9.161 ( -2.355 -10.306 2.208) 10.799 9.161 ( -2.355 10.306 2.208) 10.799 9.436 ( -6.338 -12.187 -7.033) 15.432 9.436 ( -6.338 12.187 -7.033) 15.432 9.948 ( -0.764 -7.078 2.537) 7.558 9.948 ( -0.764 7.078 2.537) 7.558 10.207 ( -4.360 -9.114 -1.644) 10.236 10.207 ( -4.360 9.114 -1.644) 10.236 11.671 ( 8.670 -2.637 6.141) 10.947 11.671 ( 8.670 2.637 6.141) 10.947 11.970 ( 5.305 -1.156 -6.480) 8.454 11.970 ( 5.305 1.156 -6.480) 8.454 15.640 ( 1.016 -3.829 -2.288) 4.575 15.640 ( 1.016 3.829 -2.288) 4.575 15.722 ( 7.856 -3.965 0.290) 8.804 15.722 ( 7.856 3.965 0.290) 8.804 16.461 ( -3.833 -5.675 1.169) 6.947 16.461 ( -3.833 5.675 1.169) 6.947 16.628 ( -5.859 -8.204 0.462) 10.092 16.628 ( -5.859 8.204 0.462) 10.092 19.145 ( 4.270 -1.046 -2.260) 4.944 19.145 ( 4.270 1.046 -2.260) 4.944 20.180 ( -1.406 -0.644 1.736) 2.325 20.180 ( -1.406 0.644 1.736) 2.325 ======================= Grid point 145 (74/160) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 3.641 -2.494 6.270) 7.668 2.262 ( 3.641 2.494 6.270) 7.668 2.405 ( 0.767 -4.304 -1.227) 4.541 2.405 ( 0.767 4.304 -1.227) 4.541 2.501 ( 1.548 -1.268 2.579) 3.264 2.501 ( 1.548 1.268 2.579) 3.264 2.602 ( 1.845 -3.173 -10.012) 10.664 2.602 ( 1.845 3.173 -10.012) 10.664 3.055 ( -1.414 -7.037 4.900) 8.691 3.055 ( -1.414 7.037 4.900) 8.691 3.163 ( -3.803 -6.440 -5.111) 9.059 3.163 ( -3.803 6.440 -5.111) 9.059 3.716 ( -14.061 -10.174 1.311) 17.406 3.716 ( -14.061 10.174 1.311) 17.406 3.786 ( -17.706 -9.775 0.905) 20.245 3.786 ( -17.706 9.775 0.905) 20.245 4.498 ( 0.272 -3.842 2.139) 4.406 4.498 ( 0.272 3.842 2.139) 4.406 4.739 ( 0.822 -2.684 4.491) 5.296 4.739 ( 0.822 2.684 4.491) 5.296 5.090 ( -0.126 -5.748 -2.776) 6.384 5.090 ( -0.126 5.748 -2.776) 6.384 5.191 ( 0.561 -7.264 -4.307) 8.464 5.191 ( 0.561 7.264 -4.307) 8.464 5.693 ( 9.203 -2.041 3.061) 9.911 5.693 ( 9.203 2.041 3.061) 9.911 5.902 ( 0.453 -2.559 0.216) 2.608 5.902 ( 0.453 2.559 0.216) 2.608 6.996 ( 10.526 -6.497 -0.569) 12.383 6.996 ( 10.526 6.497 -0.569) 12.383 7.480 ( 6.565 -5.641 -2.874) 9.120 7.480 ( 6.565 5.641 -2.874) 9.120 7.836 ( 2.910 -4.347 2.444) 5.774 7.836 ( 2.910 4.347 2.444) 5.774 8.445 ( -7.122 -1.192 1.671) 7.412 8.445 ( -7.122 1.192 1.671) 7.412 9.073 ( -5.858 -3.175 -1.132) 6.759 9.073 ( -5.858 3.175 -1.132) 6.759 9.352 ( 1.022 -4.218 -1.792) 4.696 9.352 ( 1.022 4.218 -1.792) 4.696 9.939 ( -2.175 -1.494 0.705) 2.731 9.939 ( -2.175 1.494 0.705) 2.731 10.151 ( -2.390 -1.082 0.851) 2.758 10.151 ( -2.390 1.082 0.851) 2.758 11.848 ( 5.609 -0.650 2.523) 6.184 11.848 ( 5.609 0.650 2.523) 6.184 12.009 ( 6.184 -1.070 -3.194) 7.042 12.009 ( 6.184 1.070 -3.194) 7.042 15.624 ( -0.691 -1.310 1.152) 1.876 15.624 ( -0.691 1.310 1.152) 1.876 15.911 ( 10.981 -2.370 1.174) 11.295 15.911 ( 10.981 2.370 1.174) 11.295 16.316 ( -9.730 -2.485 -1.508) 10.155 16.316 ( -9.730 2.485 -1.508) 10.155 16.597 ( 0.010 -3.771 -0.562) 3.813 16.597 ( 0.010 3.771 -0.562) 3.813 19.191 ( 3.028 -0.998 -0.789) 3.284 19.191 ( 3.028 0.998 -0.789) 3.284 20.170 ( -1.367 -0.567 0.599) 1.597 20.170 ( -1.367 0.567 0.599) 1.597 ======================= Grid point 147 (75/160) ======================= q-point: ( 0.40 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -2.883 -2.018 -9.509) 10.139 2.298 ( -2.883 2.018 -9.509) 10.139 2.401 ( 1.475 -3.990 6.893) 8.100 2.401 ( 1.475 3.990 6.893) 8.100 2.599 ( 7.358 -3.624 -1.760) 8.389 2.599 ( 7.358 3.624 -1.760) 8.389 2.654 ( 7.225 -3.189 4.432) 9.056 2.654 ( 7.225 3.189 4.432) 9.056 2.997 ( -2.617 -10.714 -4.468) 11.900 2.997 ( -2.617 10.714 -4.468) 11.900 3.096 ( -6.252 -7.230 3.990) 10.357 3.096 ( -6.252 7.230 3.990) 10.357 3.477 ( -11.203 -6.473 -2.387) 13.157 3.477 ( -11.203 6.473 -2.387) 13.157 3.536 ( -11.520 -6.191 1.639) 13.181 3.536 ( -11.520 6.191 1.639) 13.181 4.507 ( 1.102 -4.276 -4.151) 6.060 4.507 ( 1.102 4.276 -4.151) 6.060 4.771 ( 1.272 -2.694 -2.600) 3.954 4.771 ( 1.272 2.694 -2.600) 3.954 5.047 ( 0.030 -3.746 -1.665) 4.100 5.047 ( 0.030 3.746 -1.665) 4.100 5.219 ( 0.225 -1.158 7.492) 7.584 5.219 ( 0.225 1.158 7.492) 7.584 5.799 ( 4.100 -0.348 -4.767) 6.297 5.799 ( 4.100 0.348 -4.767) 6.297 5.948 ( 0.827 -1.163 3.745) 4.007 5.948 ( 0.827 1.163 3.745) 4.007 7.154 ( 7.475 -10.530 -0.624) 12.929 7.154 ( 7.475 10.530 -0.624) 12.929 7.536 ( 3.768 -6.598 -2.576) 8.023 7.536 ( 3.768 6.598 -2.576) 8.023 7.872 ( -0.119 -2.357 -0.681) 2.456 7.872 ( -0.119 2.357 -0.681) 2.456 8.352 ( -5.138 -2.612 3.639) 6.816 8.352 ( -5.138 2.612 3.639) 6.816 8.995 ( -3.018 -2.230 0.679) 3.814 8.995 ( -3.018 2.230 0.679) 3.814 9.367 ( 2.192 -1.751 -0.931) 2.956 9.367 ( 2.192 1.751 -0.931) 2.956 9.909 ( -0.540 -4.557 -1.614) 4.864 9.909 ( -0.540 4.557 -1.614) 4.864 10.115 ( -2.753 -2.731 -0.011) 3.877 10.115 ( -2.753 2.731 -0.011) 3.877 11.938 ( 2.848 -1.694 1.374) 3.588 11.938 ( 2.848 1.694 1.374) 3.588 12.087 ( 4.091 -0.167 0.289) 4.104 12.087 ( 4.091 0.167 0.289) 4.104 15.643 ( -1.004 -0.756 3.990) 4.183 15.643 ( -1.004 0.756 3.990) 4.183 16.083 ( 6.232 -2.228 -1.305) 6.746 16.083 ( 6.232 2.228 -1.305) 6.746 16.162 ( -4.741 -4.171 0.827) 6.369 16.162 ( -4.741 4.172 0.827) 6.369 16.581 ( 0.336 -1.649 -2.671) 3.157 16.581 ( 0.336 1.649 -2.671) 3.157 19.224 ( 1.238 -1.028 0.110) 1.613 19.224 ( 1.238 1.028 0.110) 1.613 20.152 ( -0.762 -0.610 -0.328) 1.030 20.152 ( -0.762 0.610 -0.328) 1.030 ======================= Grid point 149 (76/160) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -1.249 -1.207 -10.829) 10.967 2.122 ( -1.249 1.207 -10.829) 10.967 2.477 ( 0.356 -1.284 0.077) 1.335 2.477 ( 0.356 1.284 0.077) 1.335 2.700 ( 0.024 -2.666 3.264) 4.214 2.700 ( 0.024 2.666 3.264) 4.214 2.792 ( 1.929 -1.950 2.923) 4.008 2.792 ( 1.929 1.950 2.923) 4.008 2.933 ( -0.435 -4.474 -0.801) 4.566 2.933 ( -0.435 4.474 -0.801) 4.566 3.051 ( 0.418 -2.822 3.388) 4.429 3.051 ( 0.418 2.822 3.388) 4.429 3.344 ( -0.059 -1.117 -2.484) 2.725 3.344 ( -0.059 1.117 -2.484) 2.725 3.456 ( -0.643 -1.596 1.920) 2.578 3.456 ( -0.643 1.596 1.920) 2.578 4.429 ( -0.495 -1.874 -8.771) 8.982 4.429 ( -0.495 1.874 -8.771) 8.982 4.734 ( -0.639 -0.526 -3.593) 3.687 4.734 ( -0.639 0.526 -3.593) 3.687 5.070 ( 2.089 -0.419 1.752) 2.758 5.070 ( 2.089 0.419 1.752) 2.758 5.341 ( -0.219 -3.472 11.034) 11.569 5.341 ( -0.219 3.472 11.034) 11.569 5.759 ( 0.264 -0.851 -8.115) 8.164 5.759 ( 0.264 0.851 -8.115) 8.164 5.969 ( -1.827 -0.404 1.819) 2.609 5.969 ( -1.827 0.404 1.819) 2.609 7.182 ( -1.243 -10.038 -3.377) 10.663 7.182 ( -1.243 10.038 -3.377) 10.663 7.586 ( 4.015 -8.021 0.196) 8.971 7.586 ( 4.015 8.021 0.196) 8.971 7.834 ( -0.949 -1.147 -3.851) 4.129 7.834 ( -0.949 1.147 -3.851) 4.129 8.368 ( -1.955 -5.928 7.633) 9.861 8.368 ( -1.955 5.928 7.633) 9.861 8.978 ( 0.231 -2.738 0.678) 2.830 8.978 ( 0.231 2.738 0.678) 2.830 9.400 ( 1.419 -1.564 1.009) 2.340 9.400 ( 1.419 1.564 1.009) 2.340 9.869 ( -0.678 -1.507 -4.015) 4.341 9.869 ( -0.678 1.507 -4.015) 4.341 10.071 ( -0.101 -1.151 -1.795) 2.135 10.071 ( -0.101 1.151 -1.795) 2.135 11.981 ( -0.976 -2.133 2.414) 3.366 11.981 ( -0.976 2.133 2.414) 3.366 12.141 ( 0.988 -1.374 1.575) 2.312 12.141 ( 0.988 1.374 1.575) 2.312 15.677 ( -1.917 -0.466 5.619) 5.956 15.677 ( -1.917 0.466 5.619) 5.956 16.043 ( -0.430 -1.846 -3.832) 4.275 16.043 ( -0.430 1.846 -3.832) 4.275 16.216 ( 0.856 -1.337 3.552) 3.890 16.216 ( 0.856 1.337 3.552) 3.890 16.552 ( 1.162 -0.865 -4.069) 4.319 16.552 ( 1.162 0.865 -4.069) 4.319 19.239 ( 0.299 -0.835 0.346) 0.952 19.239 ( 0.299 0.835 0.346) 0.952 20.138 ( -0.187 -0.376 -0.761) 0.869 20.138 ( -0.187 0.376 -0.761) 0.869 ======================= Grid point 151 (77/160) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 4.280 -3.185 -7.266) 9.015 2.035 ( 4.280 3.185 -7.266) 9.015 2.427 ( -1.252 -4.545 -4.176) 6.298 2.427 ( -1.252 4.546 -4.176) 6.298 2.602 ( -9.823 -2.766 1.725) 10.350 2.602 ( -9.823 2.766 1.725) 10.350 2.862 ( 0.368 -9.651 -1.166) 9.728 2.862 ( 0.368 9.651 -1.166) 9.728 2.962 ( 0.472 -6.253 7.264) 9.596 2.962 ( 0.472 6.253 7.264) 9.596 3.177 ( 8.476 -4.165 2.123) 9.680 3.177 ( 8.476 4.165 2.123) 9.680 3.427 ( 10.176 -5.988 -1.696) 11.928 3.427 ( 10.176 5.988 -1.696) 11.928 3.510 ( 5.785 -5.358 -1.772) 8.082 3.510 ( 5.785 5.358 -1.772) 8.082 4.321 ( 0.074 -6.416 -6.482) 9.121 4.321 ( 0.074 6.416 -6.482) 9.121 4.674 ( -2.421 -2.558 -1.488) 3.823 4.674 ( -2.421 2.558 -1.488) 3.823 5.130 ( 1.679 -2.761 0.577) 3.282 5.130 ( 1.679 2.761 0.577) 3.282 5.440 ( -2.356 -5.928 7.309) 9.701 5.440 ( -2.356 5.928 7.309) 9.701 5.637 ( -2.348 -3.147 -5.359) 6.644 5.637 ( -2.348 3.147 -5.359) 6.644 5.952 ( -1.843 -0.938 0.652) 2.169 5.952 ( -1.843 0.938 0.652) 2.169 7.095 ( -4.054 -3.990 -1.596) 5.907 7.095 ( -4.054 3.990 -1.596) 5.907 7.628 ( -1.128 -7.757 0.310) 7.844 7.628 ( -1.128 7.757 0.310) 7.844 7.757 ( -0.824 -5.906 -4.536) 7.493 7.757 ( -0.824 5.906 -4.536) 7.493 8.423 ( -2.233 -4.918 5.261) 7.540 8.423 ( -2.233 4.918 5.261) 7.540 9.032 ( 4.775 -4.266 1.427) 6.560 9.032 ( 4.775 4.266 1.427) 6.560 9.417 ( -1.813 -0.870 1.157) 2.320 9.417 ( -1.813 0.870 1.157) 2.320 9.818 ( 2.451 -2.053 -3.897) 5.041 9.818 ( 2.451 2.053 -3.897) 5.041 10.080 ( 3.078 -3.963 -1.692) 5.296 10.080 ( 3.078 3.963 -1.692) 5.296 11.940 ( -6.838 -2.392 1.453) 7.389 11.940 ( -6.838 2.392 1.453) 7.389 12.166 ( -1.090 -1.404 2.593) 3.144 12.166 ( -1.090 1.404 2.593) 3.144 15.718 ( -1.501 -0.337 6.575) 6.753 15.718 ( -1.501 0.337 6.575) 6.753 15.988 ( -3.126 -1.102 -2.145) 3.948 15.988 ( -3.126 1.102 -2.145) 3.948 16.266 ( 2.333 -0.234 2.464) 3.402 16.266 ( 2.333 0.234 2.464) 3.402 16.516 ( 0.917 -2.062 -5.369) 5.824 16.516 ( 0.917 2.062 -5.369) 5.824 19.246 ( -0.090 -0.340 0.485) 0.599 19.246 ( -0.090 0.340 0.485) 0.599 20.126 ( 0.041 -0.369 -0.947) 1.017 20.126 ( 0.041 0.369 -0.947) 1.017 ======================= Grid point 153 (78/160) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 6.229 -10.361 -1.573) 12.191 2.080 ( 6.229 10.361 -1.573) 12.191 2.373 ( 0.972 -7.882 -5.060) 9.417 2.373 ( 0.972 7.882 -5.060) 9.417 2.507 ( -3.585 -3.407 4.149) 6.456 2.507 ( -3.585 3.407 4.149) 6.456 2.777 ( -3.332 -3.070 -4.756) 6.569 2.777 ( -3.332 3.070 -4.756) 6.569 3.100 ( 0.122 -7.316 11.667) 13.771 3.100 ( 0.122 7.316 11.667) 13.771 3.359 ( 10.739 -0.419 -0.875) 10.782 3.359 ( 10.739 0.419 -0.875) 10.782 3.441 ( -0.400 -1.829 -8.620) 8.821 3.441 ( -0.400 1.829 -8.620) 8.821 3.691 ( 15.831 -13.618 -1.904) 20.969 3.691 ( 15.831 13.618 -1.904) 20.969 4.287 ( 0.747 -17.417 -2.408) 17.598 4.287 ( 0.747 17.417 -2.408) 17.598 4.648 ( 0.018 -3.469 2.638) 4.358 4.648 ( 0.018 3.469 2.638) 4.358 5.084 ( -3.549 -4.306 -5.176) 7.611 5.084 ( -3.549 4.306 -5.176) 7.611 5.440 ( -2.862 -5.393 3.351) 6.964 5.440 ( -2.862 5.393 3.351) 6.964 5.612 ( -0.066 -0.322 1.314) 1.354 5.612 ( -0.066 0.322 1.314) 1.354 5.927 ( -1.125 -0.924 0.563) 1.561 5.927 ( -1.125 0.924 0.563) 1.561 7.001 ( -7.012 -6.584 -0.006) 9.619 7.001 ( -7.012 6.584 -0.006) 9.619 7.563 ( -3.310 -3.797 -1.011) 5.137 7.563 ( -3.310 3.797 -1.011) 5.137 7.725 ( 0.097 -8.137 -0.882) 8.185 7.725 ( 0.097 8.137 -0.882) 8.185 8.389 ( -5.295 -3.413 0.282) 6.306 8.389 ( -5.295 3.413 0.282) 6.306 9.134 ( 1.775 -2.747 1.840) 3.753 9.134 ( 1.775 2.747 1.840) 3.753 9.388 ( 2.537 -6.711 -2.662) 7.653 9.388 ( 2.537 6.711 -2.662) 7.653 9.898 ( 7.767 -1.924 1.551) 8.151 9.898 ( 7.767 1.924 1.551) 8.151 10.122 ( 3.831 -4.887 -1.220) 6.329 10.122 ( 3.831 4.887 -1.220) 6.329 11.782 ( -12.450 -3.696 -0.023) 12.987 11.782 ( -12.450 3.696 -0.023) 12.987 12.161 ( -2.724 -0.533 2.000) 3.422 12.161 ( -2.724 0.533 2.000) 3.422 15.791 ( -0.226 -2.049 6.850) 7.153 15.791 ( -0.226 2.049 6.850) 7.153 15.872 ( -7.871 -2.962 0.549) 8.428 15.872 ( -7.871 2.962 0.549) 8.428 16.360 ( 3.692 -3.410 -0.012) 5.026 16.360 ( 3.692 3.410 -0.012) 5.026 16.461 ( 3.388 -6.696 -5.965) 9.586 16.461 ( 3.388 6.696 -5.965) 9.586 19.244 ( -1.041 -0.628 0.638) 1.373 19.244 ( -1.041 0.628 0.638) 1.373 20.117 ( 0.233 -1.115 -0.910) 1.458 20.117 ( 0.233 1.115 -0.910) 1.458 ======================= Grid point 155 (79/160) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 4.702 -15.744 1.921) 16.543 2.182 ( 4.702 15.744 1.921) 16.543 2.332 ( 0.540 -14.255 -2.537) 14.489 2.332 ( 0.540 14.255 -2.537) 14.489 2.579 ( 3.490 -2.159 5.035) 6.496 2.579 ( 3.490 2.159 5.035) 6.496 2.671 ( -2.028 -3.225 -4.423) 5.838 2.671 ( -2.028 3.225 -4.423) 5.838 3.195 ( -4.657 -4.685 4.156) 7.804 3.195 ( -4.657 4.685 4.156) 7.804 3.295 ( 1.250 -8.243 -7.633) 11.303 3.295 ( 1.250 8.243 -7.633) 11.303 3.513 ( 6.646 -2.174 0.361) 7.002 3.513 ( 6.646 2.174 0.361) 7.002 3.939 ( 13.832 -16.069 -1.278) 21.240 3.939 ( 13.832 16.069 -1.278) 21.240 4.246 ( -3.356 -19.859 -0.025) 20.140 4.246 ( -3.356 19.859 -0.025) 20.140 4.739 ( 3.945 -2.330 4.352) 6.319 4.739 ( 3.945 2.330 4.352) 6.319 4.983 ( 1.096 -5.130 -3.684) 6.410 4.983 ( 1.096 5.130 -3.684) 6.410 5.419 ( -4.956 -4.767 2.849) 7.444 5.419 ( -4.956 4.767 2.849) 7.444 5.589 ( -2.559 -2.588 -2.117) 4.210 5.589 ( -2.559 2.588 -2.117) 4.210 5.966 ( 4.373 -1.639 1.839) 5.019 5.966 ( 4.373 1.639 1.839) 5.019 6.824 ( -12.481 -10.876 -1.462) 16.619 6.824 ( -12.481 10.876 -1.462) 16.619 7.530 ( 0.504 -3.269 -1.490) 3.628 7.530 ( 0.504 3.269 -1.490) 3.628 7.728 ( -1.524 -6.864 3.019) 7.652 7.728 ( -1.524 6.864 3.019) 7.652 8.284 ( -5.040 -2.088 -0.995) 5.545 8.284 ( -5.040 2.088 -0.995) 5.545 9.104 ( -3.844 -5.807 -0.194) 6.967 9.104 ( -3.844 5.807 -0.194) 6.967 9.483 ( 9.223 -11.047 -1.450) 14.464 9.483 ( 9.223 11.047 -1.450) 14.464 10.053 ( 6.960 -10.447 -1.163) 12.607 10.053 ( 6.960 10.447 -1.163) 12.607 10.206 ( 6.570 -3.204 2.860) 7.849 10.206 ( 6.570 3.204 2.860) 7.849 11.528 ( -16.095 -3.214 -0.328) 16.416 11.528 ( -16.095 3.214 -0.328) 16.416 12.122 ( -3.205 -0.823 0.137) 3.312 12.122 ( -3.205 0.823 0.137) 3.312 15.694 ( -9.569 -1.440 0.250) 9.680 15.694 ( -9.569 1.440 0.250) 9.680 15.931 ( 2.409 -2.409 8.020) 8.714 15.931 ( 2.409 2.409 8.020) 8.714 16.284 ( -3.246 -1.372 -6.695) 7.566 16.284 ( -3.246 1.372 -6.695) 7.566 16.582 ( 10.626 -4.601 -0.794) 11.607 16.582 ( 10.626 4.601 -0.794) 11.607 19.220 ( -2.325 -1.558 0.092) 2.801 19.220 ( -2.325 1.558 0.092) 2.801 20.116 ( 0.508 -1.506 -0.232) 1.606 20.116 ( 0.508 1.506 -0.232) 1.606 ======================= Grid point 157 (80/160) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 2.081 -17.055 -0.922) 17.206 2.251 ( 2.081 17.055 -0.922) 17.206 2.350 ( 0.656 -18.814 1.831) 18.914 2.350 ( 0.656 18.814 1.831) 18.914 2.604 ( -0.437 -7.041 -1.176) 7.152 2.604 ( -0.437 7.041 -1.176) 7.152 2.692 ( 3.035 -1.477 1.490) 3.689 2.692 ( 3.035 1.477 1.490) 3.689 3.066 ( -1.346 -4.119 -8.314) 9.376 3.066 ( -1.346 4.119 -8.314) 9.376 3.310 ( -0.612 -3.749 2.963) 4.818 3.310 ( -0.612 3.749 2.963) 4.818 3.623 ( 3.170 -4.156 4.303) 6.770 3.623 ( 3.170 4.156 4.303) 6.770 4.067 ( 4.137 -11.832 -1.520) 12.626 4.067 ( 4.137 11.832 -1.520) 12.626 4.239 ( -2.871 -15.340 8.332) 17.691 4.239 ( -2.871 15.340 8.332) 17.691 4.855 ( 6.974 -6.216 0.025) 9.342 4.855 ( 6.974 6.216 0.025) 9.342 5.050 ( 7.161 -8.929 -1.213) 11.510 5.050 ( 7.161 8.929 -1.213) 11.510 5.326 ( -8.040 -4.033 0.940) 9.044 5.326 ( -8.040 4.033 0.940) 9.044 5.498 ( -4.017 -3.408 -2.356) 5.771 5.498 ( -4.017 3.408 -2.356) 5.771 6.103 ( 9.680 -4.995 0.033) 10.893 6.103 ( 9.680 4.995 0.033) 10.893 6.565 ( -14.013 -8.853 -2.473) 16.759 6.565 ( -14.013 8.853 -2.473) 16.759 7.524 ( 2.347 -6.319 -3.559) 7.622 7.524 ( 2.347 6.319 -3.559) 7.622 7.706 ( -4.970 -4.002 0.969) 6.454 7.706 ( -4.970 4.002 0.969) 6.454 8.246 ( -1.303 -2.887 4.912) 5.845 8.246 ( -1.303 2.887 4.912) 5.845 9.056 ( -1.315 -5.675 0.348) 5.836 9.056 ( -1.315 5.675 0.348) 5.836 9.619 ( 6.143 -8.524 1.398) 10.599 9.619 ( 6.143 8.524 1.398) 10.599 10.080 ( 3.137 -13.762 -7.282) 15.883 10.080 ( 3.137 13.762 -7.282) 15.883 10.390 ( 7.644 -8.700 3.034) 11.972 10.390 ( 7.644 8.700 3.034) 11.972 11.269 ( -13.811 -1.808 3.056) 14.260 11.269 ( -13.811 1.808 3.056) 14.260 12.063 ( -2.003 -1.880 -2.141) 3.483 12.063 ( -2.003 1.880 -2.141) 3.483 15.555 ( -6.375 -0.601 0.243) 6.407 15.555 ( -6.375 0.601 0.243) 6.407 16.015 ( -0.017 -0.529 -3.658) 3.696 16.015 ( -0.017 0.529 -3.658) 3.696 16.197 ( -0.551 -2.607 3.682) 4.545 16.197 ( -0.551 2.607 3.682) 4.545 16.739 ( 7.657 -3.075 -0.376) 8.260 16.739 ( 7.657 3.075 -0.376) 8.260 19.170 ( -2.249 -1.886 -1.511) 3.301 19.170 ( -2.249 1.886 -1.511) 3.301 20.130 ( 0.469 -1.394 1.076) 1.823 20.130 ( 0.469 1.394 1.076) 1.823 ======================= Grid point 189 (81/160) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -3.432 0.000 25.893) 26.120 1.208 ( 0.554 0.000 27.906) 27.912 1.990 ( 0.912 0.000 -15.806) 15.832 2.153 ( -0.467 0.000 18.939) 18.944 2.206 ( 1.083 0.000 7.961) 8.035 2.843 ( 1.615 0.000 -0.971) 1.885 3.033 ( 0.227 0.000 -5.992) 5.996 3.071 ( -1.809 0.000 6.904) 7.137 3.219 ( 0.747 0.000 -1.264) 1.468 3.526 ( 0.026 0.000 4.275) 4.275 3.587 ( 0.056 0.000 4.123) 4.123 3.617 ( 1.726 0.000 -0.484) 1.793 3.733 ( 4.022 0.000 -18.444) 18.877 3.854 ( -7.025 0.000 3.364) 7.789 3.963 ( 2.094 0.000 -8.299) 8.560 3.967 ( 1.169 0.000 -3.278) 3.481 4.061 ( 4.576 0.000 7.202) 8.532 4.302 ( -3.574 0.000 7.717) 8.504 4.535 ( -4.536 0.000 9.537) 10.560 4.677 ( -3.273 0.000 0.242) 3.282 4.851 ( -4.119 0.000 -9.843) 10.670 5.152 ( 18.589 0.000 -14.585) 23.628 5.252 ( 4.331 0.000 5.457) 6.967 5.531 ( -2.481 0.000 -4.073) 4.769 5.566 ( 5.451 0.000 8.549) 10.139 5.795 ( -15.781 0.000 -3.989) 16.277 5.879 ( -4.553 0.000 7.837) 9.064 6.262 ( -8.870 0.000 -12.192) 15.077 6.468 ( -1.845 0.000 9.629) 9.805 6.685 ( 14.685 0.000 -2.259) 14.858 6.759 ( -1.836 0.000 0.347) 1.869 6.978 ( 2.502 0.000 -8.234) 8.605 7.696 ( -0.071 0.000 2.833) 2.834 7.723 ( -0.618 0.000 1.713) 1.821 8.139 ( 1.747 0.000 -2.070) 2.709 8.241 ( -1.597 0.000 -6.753) 6.939 8.747 ( -0.671 0.000 6.034) 6.071 8.867 ( 0.931 0.000 3.335) 3.462 9.337 ( -2.037 0.000 -3.577) 4.116 9.363 ( 0.590 0.000 -4.089) 4.131 10.160 ( 1.606 0.000 5.776) 5.996 10.401 ( 6.885 0.000 1.295) 7.005 10.512 ( -8.865 0.000 3.648) 9.586 10.870 ( 0.862 0.000 -7.518) 7.567 11.214 ( -2.163 0.000 12.352) 12.540 11.604 ( 0.244 0.000 6.862) 6.866 11.702 ( 2.421 0.000 -10.301) 10.582 11.886 ( -1.600 0.000 -5.636) 5.859 15.988 ( -6.417 0.000 -1.352) 6.558 15.992 ( 10.507 0.000 -0.858) 10.542 16.046 ( 2.456 0.000 -0.033) 2.456 16.077 ( -8.171 0.000 -1.128) 8.249 16.140 ( 8.850 0.000 0.321) 8.856 16.144 ( -3.789 0.000 0.018) 3.789 16.393 ( 4.021 0.000 2.684) 4.834 16.489 ( -6.610 0.000 -1.512) 6.780 19.030 ( -1.240 0.000 -0.778) 1.464 19.096 ( 1.342 0.000 -3.079) 3.358 20.202 ( -0.271 0.000 2.685) 2.699 20.223 ( 0.157 0.000 1.347) 1.356 ======================= Grid point 190 (82/160) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 6.627 0.000 22.312) 23.275 1.609 ( 8.217 0.000 24.109) 25.471 1.846 ( 5.975 0.000 -18.206) 19.162 1.977 ( 5.687 0.000 -21.935) 22.660 2.713 ( 5.072 0.000 20.045) 20.677 2.853 ( -1.202 0.000 0.940) 1.526 2.957 ( -3.087 0.000 5.760) 6.535 3.088 ( -8.881 0.000 -4.700) 10.049 3.172 ( 1.616 0.000 11.182) 11.298 3.492 ( 6.171 0.000 -24.082) 24.860 3.529 ( -1.782 0.000 1.189) 2.142 3.575 ( -3.775 0.000 -1.311) 3.996 3.738 ( 6.428 0.000 10.363) 12.195 3.831 ( 0.238 0.000 -4.200) 4.206 3.855 ( -12.753 0.000 -4.822) 13.635 3.882 ( 0.865 0.000 -8.008) 8.054 4.197 ( -5.056 0.000 1.666) 5.323 4.312 ( -6.264 0.000 21.724) 22.609 4.478 ( -1.167 0.000 -5.380) 5.505 4.725 ( 3.881 0.000 8.580) 9.417 4.747 ( -2.085 0.000 -4.434) 4.900 5.074 ( -1.307 0.000 -18.189) 18.236 5.389 ( 1.891 0.000 6.301) 6.579 5.450 ( 0.111 0.000 -11.888) 11.888 5.628 ( 0.604 0.000 2.062) 2.149 5.860 ( 6.170 0.000 6.050) 8.641 5.953 ( 5.285 0.000 16.651) 17.470 6.048 ( -4.377 0.000 -6.417) 7.768 6.423 ( -9.383 0.000 0.824) 9.419 6.738 ( -3.836 0.000 3.661) 5.302 6.781 ( -7.037 0.000 -2.745) 7.554 6.907 ( 11.618 0.000 -11.379) 16.262 7.729 ( -0.104 0.000 1.441) 1.445 7.737 ( 0.893 0.000 1.106) 1.421 8.140 ( -1.138 0.000 -5.208) 5.331 8.164 ( 2.304 0.000 1.278) 2.635 8.846 ( 3.148 0.000 4.659) 5.622 8.898 ( 1.530 0.000 -0.072) 1.532 9.300 ( 0.008 0.000 0.197) 0.197 9.340 ( 2.484 0.000 -1.691) 3.005 10.157 ( -8.029 0.000 4.604) 9.255 10.240 ( -12.256 0.000 -7.096) 14.162 10.586 ( -1.120 0.000 10.117) 10.179 10.783 ( -1.911 0.000 -6.569) 6.841 11.381 ( 5.508 0.000 11.333) 12.601 11.628 ( 4.781 0.000 -11.488) 12.443 11.813 ( 10.989 0.000 5.234) 12.172 11.877 ( 7.926 0.000 -5.004) 9.373 15.793 ( -11.713 0.000 -2.628) 12.004 15.827 ( -15.423 0.000 -1.420) 15.489 15.863 ( -14.361 0.000 1.034) 14.399 15.991 ( -9.978 0.000 0.463) 9.988 16.249 ( 8.873 0.000 0.206) 8.875 16.342 ( 11.140 0.000 -0.155) 11.141 16.499 ( 8.317 0.000 -3.374) 8.976 16.550 ( 7.290 0.000 5.239) 8.977 19.023 ( 0.888 0.000 0.477) 1.009 19.094 ( 2.162 0.000 -2.908) 3.623 20.210 ( -1.698 0.000 1.391) 2.195 20.224 ( -1.376 0.000 0.611) 1.506 ======================= Grid point 191 (83/160) ======================= q-point: ( 0.20 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 8.614 0.000 -16.076) 18.239 1.806 ( 9.414 0.000 3.656) 10.099 1.879 ( 9.671 0.000 -7.327) 12.133 2.048 ( 10.881 0.000 19.300) 22.156 2.743 ( -3.459 0.000 -1.549) 3.790 2.782 ( -8.105 0.000 2.853) 8.593 2.993 ( -3.535 0.000 0.591) 3.584 2.997 ( 4.948 0.000 -4.347) 6.586 3.306 ( 2.047 0.000 -19.429) 19.536 3.353 ( -16.965 0.000 -6.214) 18.067 3.449 ( -0.015 0.000 13.021) 13.021 3.457 ( -13.736 0.000 2.420) 13.947 3.655 ( 0.281 0.000 8.531) 8.535 3.711 ( -0.705 0.000 -8.343) 8.373 3.877 ( 9.149 0.000 -9.109) 12.910 4.039 ( 10.878 0.000 10.867) 15.376 4.234 ( 5.585 0.000 1.118) 5.696 4.237 ( -3.178 0.000 -7.751) 8.378 4.521 ( -2.795 0.000 7.972) 8.448 4.623 ( -5.671 0.000 -0.404) 5.686 4.872 ( 0.246 0.000 -12.495) 12.497 4.949 ( 4.858 0.000 12.717) 13.613 5.275 ( -4.242 0.000 -7.751) 8.836 5.454 ( -1.541 0.000 3.998) 4.285 5.692 ( 0.947 0.000 0.058) 0.948 5.893 ( -6.711 0.000 6.763) 9.528 5.924 ( -2.888 0.000 -4.140) 5.048 6.149 ( -10.242 0.000 2.796) 10.617 6.396 ( -0.743 0.000 11.161) 11.186 6.545 ( -11.302 0.000 -5.641) 12.631 6.757 ( 7.063 0.000 4.886) 8.588 6.985 ( 10.960 0.000 -10.388) 15.100 7.703 ( -2.925 0.000 -1.245) 3.179 7.786 ( 3.954 0.000 -0.233) 3.961 8.090 ( 1.413 0.000 -3.285) 3.577 8.256 ( 4.591 0.000 3.649) 5.864 8.910 ( 2.077 0.000 -1.093) 2.347 8.950 ( 4.390 0.000 0.756) 4.455 9.325 ( 1.562 0.000 1.231) 1.989 9.449 ( 7.857 0.000 2.201) 8.160 9.939 ( -11.954 0.000 -5.530) 13.171 10.031 ( -10.223 0.000 1.128) 10.285 10.622 ( -6.516 0.000 7.184) 9.699 10.639 ( -6.253 0.000 -5.070) 8.050 11.613 ( 8.789 0.000 -10.187) 13.455 11.645 ( 9.736 0.000 9.168) 13.373 12.011 ( 10.492 0.000 -0.536) 10.505 12.035 ( 8.042 0.000 3.371) 8.720 15.553 ( -14.294 0.000 -0.760) 14.314 15.575 ( -9.873 0.000 -0.782) 9.904 15.633 ( -13.365 0.000 0.759) 13.387 15.809 ( -12.046 0.000 3.287) 12.486 16.387 ( 6.762 0.000 -0.467) 6.778 16.505 ( 8.024 0.000 -0.323) 8.031 16.582 ( 6.231 0.000 -4.641) 7.770 16.717 ( 4.769 0.000 3.180) 5.732 19.071 ( 2.582 0.000 2.326) 3.475 19.091 ( 1.213 0.000 -2.141) 2.460 20.178 ( -2.678 0.000 -0.235) 2.689 20.194 ( -2.080 0.000 -0.570) 2.156 ======================= Grid point 192 (84/160) ======================= q-point: ( 0.30 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 13.864 0.000 -10.939) 17.660 1.854 ( 15.277 0.000 -15.253) 21.588 2.134 ( 5.165 0.000 12.361) 13.397 2.406 ( 6.693 0.000 12.029) 13.766 2.677 ( -4.684 0.000 0.828) 4.757 2.711 ( -7.827 0.000 6.902) 10.436 2.803 ( -13.589 0.000 -4.891) 14.442 3.015 ( -5.649 0.000 -0.612) 5.682 3.032 ( -5.692 0.000 -4.980) 7.563 3.146 ( -11.024 0.000 -0.176) 11.026 3.182 ( 1.283 0.000 -9.490) 9.577 3.471 ( -6.989 0.000 0.721) 7.026 3.702 ( 13.738 0.000 -12.737) 18.734 3.816 ( 5.386 0.000 1.406) 5.567 3.949 ( 11.412 0.000 -8.805) 14.413 4.108 ( 3.508 0.000 -13.152) 13.612 4.260 ( 7.920 0.000 5.100) 9.420 4.389 ( 7.083 0.000 0.533) 7.103 4.535 ( -3.862 0.000 5.156) 6.442 4.707 ( 2.681 0.000 10.019) 10.371 4.754 ( 1.158 0.000 -3.420) 3.611 5.125 ( -2.815 0.000 12.018) 12.343 5.158 ( -1.061 0.000 -2.249) 2.487 5.422 ( -5.802 0.000 0.281) 5.809 5.567 ( -15.501 0.000 -0.331) 15.504 5.795 ( -11.066 0.000 3.906) 11.735 5.877 ( 2.435 0.000 -4.040) 4.717 5.997 ( -6.956 0.000 -0.501) 6.974 6.320 ( -7.408 0.000 -2.213) 7.732 6.355 ( -10.151 0.000 6.980) 12.319 7.032 ( 9.426 0.000 -10.721) 14.275 7.081 ( 10.359 0.000 10.568) 14.799 7.634 ( -2.745 0.000 0.516) 2.793 7.854 ( 4.443 0.000 -0.819) 4.517 8.108 ( 5.216 0.000 -3.626) 6.353 8.387 ( 6.082 0.000 1.417) 6.244 8.941 ( 4.615 0.000 -1.878) 4.983 9.068 ( 5.711 0.000 4.091) 7.025 9.376 ( 2.760 0.000 1.027) 2.944 9.461 ( -5.329 0.000 -6.705) 8.565 9.830 ( 2.121 0.000 2.360) 3.173 9.843 ( -10.689 0.000 -2.233) 10.919 10.470 ( -6.264 0.000 -4.191) 7.537 10.558 ( -8.792 0.000 4.666) 9.953 11.681 ( 10.830 0.000 -6.505) 12.634 11.907 ( 8.836 0.000 7.032) 11.292 12.155 ( 2.313 0.000 1.527) 2.771 12.178 ( 6.266 0.000 2.897) 6.903 15.329 ( -10.794 0.000 -0.154) 10.795 15.433 ( -10.398 0.000 0.205) 10.400 15.474 ( -5.094 0.000 5.504) 7.500 15.679 ( -9.661 0.000 6.255) 11.509 16.457 ( 3.755 0.000 -3.456) 5.103 16.603 ( 4.068 0.000 -1.255) 4.257 16.610 ( 3.955 0.000 -4.150) 5.732 16.754 ( 0.702 0.000 -4.676) 4.728 19.108 ( 1.924 0.000 1.439) 2.402 19.159 ( 2.677 0.000 4.334) 5.094 20.119 ( -2.699 0.000 -1.638) 3.157 20.143 ( -1.980 0.000 -1.777) 2.660 ======================= Grid point 193 (85/160) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 13.430 0.000 -5.724) 14.599 1.988 ( 16.149 0.000 -8.602) 18.297 2.246 ( -8.204 0.000 5.250) 9.740 2.495 ( -3.403 0.000 -3.785) 5.090 2.546 ( -0.238 0.000 4.226) 4.233 2.641 ( -7.081 0.000 7.449) 10.277 2.754 ( 3.712 0.000 -0.075) 3.713 2.756 ( -18.268 0.000 1.828) 18.359 2.919 ( -2.505 0.000 -4.005) 4.724 3.142 ( 1.217 0.000 4.700) 4.854 3.187 ( 2.996 0.000 -1.963) 3.582 3.281 ( -5.907 0.000 -9.533) 11.214 3.810 ( 8.359 0.000 -7.037) 10.927 3.890 ( 1.594 0.000 2.364) 2.851 4.029 ( 14.023 0.000 -11.392) 18.067 4.150 ( 21.353 0.000 -10.826) 23.941 4.417 ( -2.636 0.000 -6.211) 6.747 4.472 ( 5.187 0.000 4.306) 6.742 4.535 ( -1.970 0.000 3.465) 3.986 4.671 ( 2.212 0.000 4.286) 4.823 4.900 ( -2.401 0.000 1.858) 3.036 5.146 ( -9.071 0.000 8.959) 12.750 5.225 ( -18.157 0.000 0.887) 18.179 5.248 ( 7.265 0.000 5.137) 8.897 5.274 ( -9.087 0.000 -0.476) 9.099 5.650 ( -8.844 0.000 1.158) 8.920 5.843 ( 0.914 0.000 -6.825) 6.886 5.880 ( -3.665 0.000 -5.912) 6.955 6.306 ( 2.029 0.000 7.903) 8.160 6.325 ( -6.764 0.000 12.854) 14.525 7.048 ( 7.775 0.000 -10.931) 13.414 7.201 ( -3.946 0.000 0.659) 4.001 7.687 ( 1.583 0.000 8.825) 8.965 7.918 ( 3.225 0.000 0.732) 3.307 8.163 ( 7.827 0.000 -6.502) 10.175 8.427 ( -0.112 0.000 -6.313) 6.314 9.045 ( 9.109 0.000 -0.106) 9.109 9.210 ( 1.710 0.000 6.595) 6.813 9.299 ( -3.829 0.000 -1.738) 4.205 9.434 ( -1.913 0.000 4.637) 5.016 9.638 ( -3.676 0.000 -7.434) 8.293 9.891 ( 2.691 0.000 -2.501) 3.673 10.351 ( -1.657 0.000 -3.096) 3.512 10.435 ( -10.665 0.000 2.583) 10.973 11.820 ( 10.997 0.000 -2.213) 11.217 12.099 ( 3.589 0.000 4.288) 5.592 12.158 ( -1.443 0.000 0.501) 1.527 12.275 ( 0.941 0.000 2.841) 2.993 15.191 ( -5.361 0.000 0.675) 5.403 15.290 ( -6.008 0.000 -0.491) 6.028 15.517 ( -2.142 0.000 10.987) 11.194 15.628 ( -6.927 0.000 8.827) 11.221 16.432 ( 2.541 0.000 -8.844) 9.202 16.556 ( -1.536 0.000 -10.986) 11.093 16.633 ( 2.197 0.000 -1.042) 2.431 16.711 ( 1.930 0.000 -3.239) 3.770 19.193 ( 2.866 0.000 5.043) 5.801 19.255 ( 1.401 0.000 5.290) 5.472 20.057 ( -1.466 0.000 -2.213) 2.655 20.088 ( -1.473 0.000 -2.401) 2.817 ======================= Grid point 194 (86/160) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 3.889 0.000 -0.125) 3.891 2.077 ( -10.059 0.000 3.246) 10.570 2.198 ( 10.856 0.000 -4.583) 11.784 2.320 ( -5.214 0.000 -4.094) 6.629 2.509 ( -5.745 0.000 -4.024) 7.014 2.662 ( 7.182 0.000 -7.121) 10.114 2.674 ( -4.034 0.000 9.054) 9.913 2.828 ( 6.292 0.000 7.749) 9.982 2.925 ( 4.983 0.000 1.321) 5.155 3.052 ( -6.281 0.000 -2.766) 6.863 3.130 ( 0.273 0.000 -6.579) 6.585 3.248 ( 1.451 0.000 -6.109) 6.279 3.870 ( 4.477 0.000 3.842) 5.899 3.920 ( -2.095 0.000 2.212) 3.047 4.147 ( 11.810 0.000 -7.484) 13.981 4.157 ( -15.254 0.000 -7.031) 16.796 4.457 ( -18.828 0.000 -1.004) 18.855 4.494 ( 12.037 0.000 -0.542) 12.049 4.586 ( 17.251 0.000 -2.263) 17.399 4.615 ( -10.562 0.000 -2.747) 10.913 4.890 ( 10.232 0.000 6.652) 12.204 5.019 ( -10.898 0.000 1.204) 10.965 5.167 ( 2.339 0.000 6.530) 6.936 5.192 ( -4.342 0.000 5.058) 6.666 5.462 ( 10.156 0.000 1.157) 10.222 5.537 ( -6.423 0.000 2.512) 6.897 5.707 ( -4.936 0.000 -9.811) 10.982 5.785 ( 2.882 0.000 -6.492) 7.103 6.409 ( -3.724 0.000 14.504) 14.974 6.512 ( 5.108 0.000 12.130) 13.162 7.041 ( -10.131 0.000 -5.528) 11.541 7.052 ( 7.985 0.000 -9.572) 12.465 7.812 ( -1.270 0.000 9.110) 9.199 7.987 ( 1.604 0.000 3.884) 4.202 8.205 ( 8.615 0.000 -10.226) 13.371 8.262 ( -4.675 0.000 -9.672) 10.742 9.174 ( 1.373 0.000 3.780) 4.022 9.236 ( -10.032 0.000 5.155) 11.279 9.315 ( -9.464 0.000 1.981) 9.669 9.359 ( 10.965 0.000 0.803) 10.994 9.668 ( 9.634 0.000 -2.787) 10.029 9.833 ( -3.472 0.000 -6.831) 7.663 10.281 ( -8.346 0.000 1.345) 8.453 10.358 ( 5.913 0.000 -1.613) 6.129 11.983 ( 8.600 0.000 0.572) 8.619 12.017 ( -9.235 0.000 -1.056) 9.296 12.242 ( 2.879 0.000 3.334) 4.405 12.286 ( -2.480 0.000 1.439) 2.867 15.165 ( 0.866 0.000 1.345) 1.600 15.220 ( -0.829 0.000 -1.131) 1.402 15.647 ( 0.372 0.000 12.867) 12.872 15.653 ( -3.695 0.000 10.585) 11.211 16.351 ( 2.829 0.000 -11.596) 11.937 16.371 ( -0.650 0.000 -14.427) 14.442 16.651 ( 0.051 0.000 0.552) 0.554 16.704 ( -0.086 0.000 -1.620) 1.622 19.300 ( 1.915 0.000 4.840) 5.205 19.321 ( -0.650 0.000 4.085) 4.136 20.024 ( 0.407 0.000 -1.609) 1.659 20.040 ( -0.585 0.000 -2.315) 2.387 ======================= Grid point 196 (87/160) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -21.548 0.000 -1.315) 21.588 1.866 ( -18.710 0.000 -3.272) 18.994 2.342 ( 9.942 0.000 -2.450) 10.240 2.401 ( 5.452 0.000 6.670) 8.615 2.496 ( 9.870 0.000 -3.278) 10.400 2.712 ( -0.004 0.000 2.655) 2.655 2.772 ( 13.375 0.000 -5.467) 14.449 2.930 ( -4.958 0.000 0.041) 4.959 3.002 ( 5.433 0.000 3.052) 6.232 3.090 ( 0.785 0.000 -1.989) 2.139 3.113 ( -0.746 0.000 -12.810) 12.832 3.139 ( 10.306 0.000 6.491) 12.180 3.744 ( -27.780 0.000 -0.719) 27.789 3.804 ( -14.169 0.000 -2.931) 14.469 4.013 ( 3.486 0.000 4.854) 5.976 4.019 ( -11.804 0.000 -4.001) 12.464 4.253 ( 7.258 0.000 -2.561) 7.697 4.516 ( -2.707 0.000 2.258) 3.525 4.591 ( 2.117 0.000 0.645) 2.213 4.803 ( -8.484 0.000 -0.201) 8.486 4.986 ( 12.502 0.000 -2.593) 12.768 5.113 ( 7.057 0.000 5.534) 8.968 5.237 ( 6.232 0.000 1.850) 6.501 5.335 ( 7.198 0.000 6.397) 9.630 5.498 ( -2.623 0.000 1.378) 2.962 5.524 ( -1.807 0.000 -4.219) 4.590 5.584 ( 6.181 0.000 -4.937) 7.911 5.829 ( 9.120 0.000 -2.287) 9.402 6.515 ( -3.906 0.000 12.953) 13.529 6.681 ( 1.787 0.000 3.985) 4.367 6.744 ( -12.848 0.000 -9.473) 15.963 7.131 ( 9.837 0.000 -2.245) 10.090 7.827 ( -6.193 0.000 4.001) 7.373 8.037 ( -2.540 0.000 2.435) 3.519 8.135 ( 0.344 0.000 -3.838) 3.854 8.234 ( 9.624 0.000 -8.576) 12.890 9.014 ( -16.250 0.000 3.099) 16.543 9.227 ( -2.961 0.000 7.006) 7.606 9.257 ( -3.261 0.000 1.484) 3.583 9.503 ( -1.469 0.000 -5.078) 5.286 9.686 ( 4.944 0.000 -4.650) 6.787 9.786 ( 5.702 0.000 -0.245) 5.708 10.226 ( -0.281 0.000 1.891) 1.912 10.497 ( 10.476 0.000 -0.338) 10.482 11.808 ( -13.082 0.000 -1.235) 13.140 12.112 ( 4.435 0.000 1.748) 4.767 12.231 ( -4.509 0.000 -0.392) 4.525 12.304 ( 0.353 0.000 2.429) 2.455 15.237 ( 4.667 0.000 -1.393) 4.870 15.248 ( 6.580 0.000 1.433) 6.734 15.758 ( 0.730 0.000 10.901) 10.926 15.832 ( 3.864 0.000 11.440) 12.075 16.208 ( 0.086 0.000 -11.671) 11.672 16.258 ( 2.475 0.000 -11.052) 11.326 16.642 ( -2.393 0.000 1.112) 2.639 16.664 ( -2.475 0.000 -1.367) 2.827 19.325 ( -2.410 0.000 0.965) 2.596 19.355 ( -0.628 0.000 1.886) 1.988 20.021 ( 1.155 0.000 -1.312) 1.748 20.031 ( 1.579 0.000 -0.321) 1.611 ======================= Grid point 197 (88/160) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -25.333 0.000 2.247) 25.432 1.475 ( -24.153 0.000 1.114) 24.179 2.411 ( -9.291 0.000 3.633) 9.976 2.569 ( -0.282 0.000 -5.103) 5.111 2.630 ( 13.540 0.000 3.653) 14.024 2.772 ( 5.920 0.000 -0.065) 5.920 2.782 ( -11.238 0.000 0.459) 11.247 2.925 ( 3.411 0.000 2.434) 4.191 2.953 ( -5.090 0.000 -2.788) 5.804 3.023 ( 3.935 0.000 -1.585) 4.242 3.192 ( 10.923 0.000 -4.065) 11.655 3.324 ( 6.190 0.000 -4.728) 7.789 3.397 ( -8.082 0.000 4.084) 9.055 3.604 ( -5.736 0.000 7.390) 9.355 3.897 ( -0.513 0.000 -3.067) 3.110 4.073 ( 2.099 0.000 -2.539) 3.294 4.303 ( -1.325 0.000 1.650) 2.116 4.458 ( -6.197 0.000 -1.709) 6.429 4.659 ( -4.753 0.000 0.081) 4.753 4.667 ( 6.793 0.000 -1.698) 7.002 5.013 ( -3.332 0.000 -2.024) 3.898 5.238 ( -3.097 0.000 -5.177) 6.033 5.291 ( 5.006 0.000 8.481) 9.848 5.534 ( -1.610 0.000 7.905) 8.067 5.541 ( 9.766 0.000 1.841) 9.938 5.583 ( 1.605 0.000 -4.156) 4.455 5.659 ( 15.958 0.000 -0.912) 15.984 6.011 ( 13.005 0.000 -0.481) 13.014 6.401 ( -14.690 0.000 -2.802) 14.955 6.605 ( -0.416 0.000 5.920) 5.934 6.695 ( 1.200 0.000 -3.528) 3.727 7.278 ( 6.105 0.000 0.233) 6.109 7.750 ( -5.624 0.000 2.099) 6.003 7.912 ( -7.652 0.000 -7.469) 10.693 8.136 ( 2.171 0.000 -1.739) 2.782 8.333 ( 6.281 0.000 -0.880) 6.342 8.823 ( -9.811 0.000 4.202) 10.673 9.132 ( -16.466 0.000 2.856) 16.712 9.231 ( -2.956 0.000 3.876) 4.874 9.382 ( 1.684 0.000 -3.252) 3.662 9.838 ( 11.559 0.000 -1.706) 11.684 9.863 ( 4.319 0.000 -0.716) 4.378 10.306 ( 5.463 0.000 3.345) 6.405 10.668 ( 9.379 0.000 -0.642) 9.400 11.556 ( -14.739 0.000 -0.151) 14.739 12.119 ( -6.206 0.000 -1.992) 6.518 12.172 ( 0.022 0.000 0.744) 0.744 12.312 ( -1.453 0.000 -0.148) 1.461 15.348 ( 9.863 0.000 -1.056) 9.919 15.416 ( 11.024 0.000 1.027) 11.072 15.894 ( 4.929 0.000 -1.875) 5.273 16.027 ( 8.389 0.000 -1.402) 8.505 16.110 ( -1.964 0.000 2.140) 2.905 16.216 ( 1.164 0.000 3.902) 4.072 16.586 ( -4.899 0.000 -1.056) 5.011 16.592 ( -5.265 0.000 1.291) 5.421 19.265 ( -3.203 0.000 -2.633) 4.146 19.321 ( -3.261 0.000 -1.443) 3.566 20.051 ( 2.996 0.000 0.291) 3.010 20.063 ( 1.614 0.000 0.815) 1.808 ======================= Grid point 198 (89/160) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -22.994 0.000 14.852) 27.373 1.115 ( -24.529 0.000 11.309) 27.010 2.013 ( -42.135 0.000 21.302) 47.214 2.408 ( -6.159 0.000 -8.333) 10.362 2.685 ( -4.150 0.000 -8.114) 9.114 2.809 ( 3.921 0.000 -2.660) 4.738 2.858 ( 1.046 0.000 1.643) 1.948 2.962 ( 14.770 0.000 -0.982) 14.803 3.066 ( 13.324 0.000 3.074) 13.674 3.216 ( 2.001 0.000 -8.160) 8.402 3.251 ( 8.675 0.000 14.708) 17.076 3.385 ( 2.424 0.000 7.054) 7.459 3.457 ( 5.451 0.000 2.140) 5.856 3.677 ( 0.405 0.000 9.875) 9.883 3.936 ( 8.766 0.000 -4.987) 10.085 4.039 ( 2.100 0.000 -8.175) 8.441 4.227 ( -7.549 0.000 -2.611) 7.988 4.324 ( -4.184 0.000 -1.371) 4.403 4.619 ( -2.823 0.000 1.148) 3.047 4.767 ( 9.037 0.000 -3.583) 9.721 4.857 ( -9.560 0.000 -4.660) 10.635 5.153 ( 0.036 0.000 -2.789) 2.789 5.431 ( -2.467 0.000 -5.542) 6.066 5.509 ( 4.533 0.000 -1.442) 4.757 5.571 ( -6.008 0.000 7.136) 9.328 5.807 ( 10.077 0.000 12.314) 15.912 5.844 ( 3.796 0.000 1.691) 4.156 6.229 ( -5.074 0.000 5.009) 7.130 6.238 ( 14.448 0.000 -2.490) 14.661 6.682 ( 2.459 0.000 3.882) 4.595 6.694 ( 5.258 0.000 -2.431) 5.792 7.215 ( -10.308 0.000 -11.899) 15.743 7.699 ( -3.539 0.000 2.283) 4.211 7.707 ( -3.309 0.000 -3.331) 4.695 8.145 ( 2.185 0.000 -3.032) 3.737 8.371 ( 0.932 0.000 -2.605) 2.767 8.777 ( -3.554 0.000 4.617) 5.827 8.886 ( -13.540 0.000 2.288) 13.732 9.276 ( -0.595 0.000 9.344) 9.363 9.395 ( 2.299 0.000 -2.470) 3.375 9.926 ( 5.151 0.000 -2.063) 5.549 10.018 ( 9.905 0.000 1.289) 9.988 10.460 ( 6.619 0.000 3.206) 7.355 10.791 ( 6.783 0.000 -1.553) 6.959 11.323 ( -13.487 0.000 2.663) 13.747 11.967 ( -5.981 0.000 -5.226) 7.943 12.138 ( -4.288 0.000 -0.565) 4.325 12.203 ( -7.646 0.000 -8.732) 11.606 15.543 ( 13.566 0.000 -0.365) 13.571 15.640 ( 13.714 0.000 0.471) 13.722 15.836 ( 3.635 0.000 -13.722) 14.195 16.023 ( 3.897 0.000 -7.037) 8.044 16.234 ( 2.171 0.000 7.611) 7.915 16.414 ( 1.226 0.000 13.679) 13.734 16.471 ( -7.473 0.000 -0.331) 7.481 16.505 ( -5.842 0.000 5.317) 7.899 19.164 ( -2.978 0.000 -4.620) 5.496 19.227 ( -3.768 0.000 -3.225) 4.960 20.104 ( 1.236 0.000 2.094) 2.432 20.119 ( 3.310 0.000 1.377) 3.585 ======================= Grid point 199 (90/160) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -14.374 0.000 23.457) 27.511 0.988 ( -14.039 0.000 24.753) 28.457 1.788 ( -25.107 0.000 43.935) 50.602 2.191 ( -4.748 0.000 -11.425) 12.373 2.443 ( -4.463 0.000 -15.707) 16.329 2.829 ( 2.738 0.000 -2.799) 3.915 2.960 ( 3.681 0.000 3.578) 5.133 3.135 ( 9.754 0.000 -2.223) 10.004 3.140 ( -0.049 0.000 -6.378) 6.378 3.420 ( 14.055 0.000 9.591) 17.016 3.463 ( -3.361 0.000 9.186) 9.782 3.561 ( 3.057 0.000 -0.592) 3.114 3.562 ( 7.637 0.000 11.170) 13.532 3.955 ( 4.442 0.000 7.429) 8.656 3.979 ( 5.000 0.000 -10.578) 11.700 4.030 ( 15.312 0.000 3.471) 15.700 4.054 ( -7.242 0.000 -3.722) 8.143 4.200 ( -6.479 0.000 -8.909) 11.016 4.545 ( -7.296 0.000 2.589) 7.742 4.700 ( -1.943 0.000 0.078) 1.945 4.917 ( 14.263 0.000 -5.024) 15.122 5.164 ( 1.368 0.000 1.658) 2.149 5.171 ( -9.745 0.000 -12.236) 15.642 5.511 ( -7.163 0.000 5.627) 9.109 5.574 ( 1.793 0.000 -1.373) 2.258 5.873 ( -3.913 0.000 5.791) 6.989 6.031 ( -1.162 0.000 0.225) 1.184 6.320 ( 1.580 0.000 11.445) 11.553 6.436 ( 14.829 0.000 -1.916) 14.953 6.705 ( -21.312 0.000 -17.100) 27.324 6.757 ( 2.061 0.000 0.724) 2.184 6.879 ( 15.435 0.000 -2.104) 15.578 7.681 ( -1.858 0.000 2.439) 3.066 7.702 ( 0.685 0.000 1.540) 1.685 8.141 ( 2.083 0.000 -3.472) 4.049 8.331 ( -0.234 0.000 -4.934) 4.939 8.749 ( -7.116 0.000 4.451) 8.393 8.794 ( -0.625 0.000 5.641) 5.676 9.382 ( 0.602 0.000 3.003) 3.063 9.392 ( 1.647 0.000 -3.684) 4.036 10.011 ( 7.306 0.000 0.581) 7.329 10.211 ( 8.853 0.000 4.006) 9.717 10.565 ( 0.947 0.000 1.668) 1.918 10.884 ( 6.328 0.000 -2.556) 6.825 11.177 ( -9.782 0.000 7.647) 12.416 11.808 ( -21.746 0.000 -6.866) 22.804 11.809 ( -2.331 0.000 -8.168) 8.494 12.020 ( -6.157 0.000 -3.217) 6.947 15.785 ( 13.895 0.000 -0.434) 13.901 15.843 ( 12.506 0.000 -4.108) 13.163 15.886 ( 14.395 0.000 -0.028) 14.395 16.029 ( 2.222 0.000 -1.832) 2.879 16.273 ( -5.842 0.000 -0.608) 5.874 16.319 ( -11.140 0.000 0.923) 11.179 16.358 ( -3.913 0.000 2.952) 4.901 16.610 ( -3.774 0.000 4.787) 6.096 19.076 ( -1.932 0.000 -2.499) 3.159 19.137 ( -1.637 0.000 -3.442) 3.811 20.157 ( 1.009 0.000 3.268) 3.420 20.186 ( 2.047 0.000 1.653) 2.631 ======================= Grid point 200 (91/160) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -3.755 14.095 21.355) 25.861 1.407 ( 0.074 14.861 22.740) 27.166 2.070 ( 0.978 7.029 -15.360) 16.920 2.247 ( 0.179 5.366 -16.501) 17.352 2.391 ( 0.646 19.111 39.083) 43.510 2.820 ( 0.753 -2.400 0.114) 2.518 2.971 ( -0.179 -7.708 4.507) 8.931 3.035 ( 1.175 0.448 -6.852) 6.967 3.165 ( 0.044 -6.222 -4.013) 7.404 3.384 ( 2.818 -9.945 6.077) 11.990 3.487 ( -1.497 -7.632 3.936) 8.716 3.574 ( 0.240 -4.849 -2.543) 5.480 3.734 ( 3.958 -4.899 -6.614) 9.133 3.855 ( -5.756 1.200 -11.919) 13.291 3.910 ( -1.200 0.424 5.466) 5.612 4.043 ( 2.688 4.179 2.213) 5.439 4.125 ( 3.848 6.472 4.851) 8.957 4.342 ( -0.791 2.353 7.802) 8.187 4.525 ( -3.729 -0.145 6.487) 7.484 4.726 ( -4.342 4.411 -2.261) 6.590 4.770 ( 0.151 -5.052 -8.115) 9.560 5.026 ( 4.463 -3.576 -7.743) 9.627 5.456 ( 9.403 8.620 0.709) 12.776 5.512 ( 2.500 -2.131 6.253) 7.063 5.553 ( -0.931 0.471 -1.628) 1.934 5.698 ( -8.518 -4.687 -0.331) 9.728 5.895 ( -3.710 -1.105 3.273) 5.069 6.242 ( -11.128 -1.487 -12.461) 16.772 6.450 ( -3.565 -1.831 8.031) 8.975 6.660 ( 16.585 -1.943 -2.454) 16.878 6.877 ( 0.980 6.648 1.693) 6.930 7.032 ( -0.927 8.990 -2.048) 9.267 7.631 ( -1.423 -0.419 5.923) 6.106 8.020 ( 0.736 2.505 -10.237) 10.565 8.131 ( 0.842 10.992 -3.850) 11.677 8.223 ( -2.250 1.164 -5.380) 5.947 8.779 ( -0.450 2.316 6.041) 6.485 8.871 ( 1.029 1.009 2.554) 2.933 9.299 ( 2.254 -0.461 -0.256) 2.314 9.476 ( -3.353 7.348 -6.721) 10.507 10.115 ( 1.275 -4.078 6.064) 7.418 10.360 ( 5.666 -4.052 4.372) 8.224 10.485 ( -7.658 -2.321 -0.166) 8.003 10.828 ( 0.833 -4.026 -7.670) 8.703 11.232 ( -2.044 1.772 12.976) 13.255 11.510 ( 1.397 -4.971 12.082) 13.139 11.735 ( 1.724 2.046 -9.649) 10.013 11.927 ( -1.227 2.001 -8.615) 8.929 15.825 ( 4.314 -7.160 -1.442) 8.483 15.868 ( -3.381 -6.103 -2.816) 7.524 15.965 ( 3.356 -10.402 0.389) 10.937 15.989 ( -4.435 -9.260 -0.748) 10.294 16.179 ( -2.312 6.350 3.794) 7.750 16.318 ( 3.941 9.353 -2.336) 10.415 16.521 ( 4.404 8.142 1.643) 9.402 16.589 ( -6.496 6.919 -1.246) 9.572 19.021 ( 0.321 -0.530 -1.127) 1.286 19.091 ( 0.746 -0.393 -3.392) 3.495 20.207 ( -0.027 0.345 2.372) 2.397 20.216 ( -0.076 -0.548 1.696) 1.784 ======================= Grid point 201 (92/160) ======================= q-point: ( 0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 5.124 9.447 20.628) 23.260 1.725 ( 5.534 8.971 20.607) 23.147 1.927 ( 4.893 6.778 -16.469) 18.469 2.065 ( 4.852 7.156 -19.657) 21.474 2.777 ( 0.361 4.104 9.222) 10.100 2.826 ( -1.115 -1.614 0.196) 1.971 2.939 ( -5.253 -4.317 6.165) 9.178 3.024 ( -5.580 -4.679 -3.594) 8.121 3.200 ( 7.687 3.917 15.464) 17.707 3.433 ( -3.283 -3.565 -5.538) 7.359 3.493 ( 0.328 -6.233 -2.920) 6.891 3.554 ( 4.244 -5.758 3.009) 7.760 3.651 ( 4.252 0.167 -10.414) 11.250 3.704 ( 1.561 -10.178 -3.970) 11.035 3.886 ( -9.334 4.017 -0.491) 10.174 3.912 ( -12.278 4.707 -2.883) 13.462 4.312 ( -6.223 1.754 17.478) 18.636 4.344 ( 1.234 7.453 -1.376) 7.679 4.543 ( 2.784 4.550 -2.950) 6.096 4.681 ( -0.366 -1.793 2.548) 3.137 4.749 ( 0.775 -0.737 1.168) 1.584 4.968 ( 0.702 -5.806 -11.081) 12.530 5.402 ( -3.979 3.100 -2.272) 5.532 5.553 ( -3.842 -0.062 0.442) 3.868 5.634 ( 6.864 4.662 -3.413) 8.972 5.744 ( 5.462 -8.068 3.679) 10.415 5.931 ( -3.122 -1.980 5.279) 6.445 6.052 ( 2.473 0.326 3.256) 4.102 6.398 ( -6.932 -3.001 1.197) 7.648 6.870 ( 0.975 10.501 -0.293) 10.550 6.882 ( 6.524 -0.795 -10.720) 12.574 6.943 ( -1.057 10.847 1.755) 11.038 7.694 ( -1.929 0.253 9.212) 9.416 7.880 ( -1.328 6.236 -9.845) 11.729 8.139 ( -0.445 1.104 -3.893) 4.071 8.164 ( 2.964 2.616 2.090) 4.471 8.861 ( 2.225 1.267 3.746) 4.538 8.906 ( 1.607 0.861 0.310) 1.849 9.356 ( -0.735 5.077 -2.745) 5.818 9.371 ( 3.459 2.928 1.310) 4.718 10.111 ( -8.377 -4.359 5.184) 10.772 10.214 ( -12.389 -2.536 -7.909) 14.916 10.539 ( -0.678 -4.173 10.670) 11.477 10.744 ( -1.390 -3.747 -6.979) 8.042 11.407 ( 5.413 2.337 11.357) 12.796 11.642 ( 4.980 1.226 -9.850) 11.105 11.783 ( 10.114 -2.074 6.548) 12.226 11.877 ( 6.936 -0.244 -7.255) 10.041 15.671 ( -9.843 -5.409 -2.252) 11.455 15.732 ( -10.890 -4.950 -0.023) 11.962 16.021 ( -0.387 -1.710 -0.573) 1.845 16.052 ( -6.725 4.514 1.244) 8.195 16.129 ( 2.312 -4.316 0.620) 4.935 16.261 ( -0.996 -0.907 -1.070) 1.720 16.541 ( 4.857 4.119 -0.122) 6.369 16.687 ( 6.824 6.797 2.137) 9.866 19.038 ( 2.252 1.140 -0.002) 2.524 19.080 ( 2.239 -1.186 -3.236) 4.110 20.210 ( -1.762 -0.001 0.970) 2.012 20.223 ( -1.123 -0.020 1.037) 1.528 ======================= Grid point 202 (93/160) ======================= q-point: ( 0.20 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 7.951 6.889 -11.625) 15.679 1.899 ( 6.777 7.393 6.886) 12.166 1.946 ( 8.683 6.031 -11.606) 15.699 2.100 ( 8.841 4.152 17.094) 19.688 2.744 ( -3.531 0.053 -1.444) 3.815 2.785 ( -6.316 -0.372 2.750) 6.898 2.895 ( -1.269 -7.186 1.126) 7.383 2.924 ( -3.137 -7.265 -2.576) 8.322 3.223 ( -10.092 -4.764 -11.125) 15.758 3.377 ( -11.777 -3.483 3.583) 12.793 3.504 ( -3.100 10.181 -9.552) 14.300 3.579 ( 6.208 -3.318 -2.624) 7.512 3.626 ( -5.275 7.768 5.183) 10.725 3.723 ( 6.172 -2.009 0.081) 6.492 3.758 ( 0.868 -3.421 -4.305) 5.567 3.824 ( 6.199 -12.614 5.940) 15.259 4.298 ( 1.398 3.793 -11.154) 11.863 4.403 ( 2.180 8.512 8.894) 12.502 4.584 ( -0.089 5.212 3.367) 6.206 4.636 ( -3.562 0.375 1.179) 3.770 4.834 ( -1.369 -7.562 5.002) 9.169 4.841 ( -0.000 -0.230 -5.626) 5.631 5.346 ( -0.018 4.547 -1.327) 4.736 5.538 ( -1.290 5.249 1.041) 5.505 5.665 ( 1.083 -2.218 -1.105) 2.704 5.768 ( -4.157 -7.602 0.699) 8.693 5.858 ( -5.936 -5.386 1.931) 8.245 6.129 ( -8.543 -2.037 3.476) 9.445 6.470 ( 5.495 2.004 8.275) 10.134 6.661 ( -7.850 11.401 -4.543) 14.568 6.917 ( 3.979 11.228 -1.895) 12.062 7.057 ( 11.023 7.826 -4.153) 14.142 7.719 ( -3.242 1.552 -3.972) 5.356 7.803 ( 0.277 0.731 4.296) 4.366 8.116 ( 2.215 3.619 -2.511) 4.931 8.265 ( 4.606 1.064 3.171) 5.692 8.900 ( 1.545 -0.437 -2.246) 2.761 8.961 ( 3.886 0.758 1.579) 4.263 9.347 ( 3.121 2.506 -1.053) 4.139 9.511 ( 6.214 5.240 4.553) 9.317 9.895 ( -12.841 -3.813 -6.591) 14.929 9.991 ( -10.066 -3.912 1.828) 10.953 10.589 ( -5.635 -3.227 4.663) 7.994 10.607 ( -6.077 -3.019 -2.507) 7.234 11.627 ( 8.608 1.405 -8.141) 11.931 11.669 ( 9.062 2.053 7.348) 11.846 11.964 ( 10.281 -3.752 -2.649) 11.260 12.021 ( 7.673 -1.449 4.332) 8.930 15.509 ( -7.186 -1.683 0.871) 7.431 15.556 ( -10.007 0.389 0.623) 10.033 15.810 ( -13.897 11.216 0.278) 17.861 15.891 ( -14.095 7.419 1.594) 16.008 16.230 ( 8.358 -10.590 -0.406) 13.497 16.390 ( 9.337 -10.433 0.198) 14.002 16.610 ( 3.880 2.256 -2.253) 5.022 16.789 ( 2.421 3.416 0.271) 4.195 19.077 ( 1.679 0.362 -0.967) 1.971 19.102 ( 3.393 1.127 0.783) 3.661 20.176 ( -2.417 -0.112 -0.528) 2.477 20.200 ( -1.995 0.483 -0.256) 2.068 ======================= Grid point 203 (94/160) ======================= q-point: ( 0.30 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 12.482 6.417 -11.494) 18.141 1.919 ( 12.408 5.428 -13.423) 19.069 2.165 ( 3.830 2.717 11.626) 12.538 2.432 ( 6.046 2.000 12.400) 13.940 2.664 ( -4.899 -1.411 -1.215) 5.241 2.728 ( -5.833 -0.057 4.316) 7.256 2.803 ( -10.303 -0.374 -3.289) 10.822 2.878 ( -6.396 -7.401 -0.646) 9.802 2.960 ( 2.554 -6.957 0.341) 7.419 3.119 ( -19.732 -0.198 2.032) 19.837 3.293 ( -3.856 5.738 -8.383) 10.866 3.540 ( -9.039 2.433 1.952) 9.562 3.681 ( 17.089 0.885 -14.389) 22.358 3.800 ( 7.555 -4.601 -3.105) 9.374 3.896 ( 4.633 -13.767 -5.398) 15.496 3.907 ( 9.980 0.467 -7.991) 12.794 4.235 ( 5.045 -2.278 -0.797) 5.593 4.492 ( -0.015 3.877 -2.026) 4.375 4.563 ( -4.759 1.749 1.995) 5.449 4.742 ( 3.543 1.717 1.979) 4.407 4.826 ( 3.729 9.643 8.355) 13.292 4.856 ( -3.376 -12.230 7.916) 14.954 5.321 ( -4.206 1.413 -0.045) 4.437 5.484 ( -4.743 4.763 -3.119) 7.410 5.568 ( -12.830 0.078 2.917) 13.157 5.741 ( 0.816 -4.904 0.478) 4.994 5.793 ( -4.363 -0.859 3.026) 5.379 6.023 ( -5.125 -0.083 -0.504) 5.150 6.408 ( -5.657 7.495 -3.143) 9.902 6.577 ( -7.936 16.250 5.041) 18.773 7.086 ( 11.750 5.136 -3.312) 13.245 7.196 ( 7.696 10.103 2.339) 12.914 7.611 ( -0.666 -1.030 -4.981) 5.130 7.883 ( 0.548 0.883 6.406) 6.490 8.144 ( 4.514 4.211 -3.206) 6.956 8.380 ( 5.145 -0.488 0.943) 5.253 8.912 ( 4.299 -2.210 -2.682) 5.528 9.074 ( 5.110 0.388 4.162) 6.602 9.401 ( 3.310 2.738 -0.189) 4.300 9.511 ( -7.357 3.603 -5.358) 9.789 9.762 ( -1.080 -4.902 1.152) 5.150 9.829 ( -5.932 -2.070 -0.678) 6.320 10.440 ( -5.840 -2.850 -4.034) 7.649 10.537 ( -8.608 -2.119 4.428) 9.909 11.692 ( 10.175 1.090 -6.359) 12.048 11.919 ( 8.348 1.014 7.074) 10.989 12.118 ( 7.507 -4.199 0.983) 8.658 12.146 ( 2.381 -1.692 2.353) 3.751 15.397 ( -8.496 5.885 0.663) 10.356 15.467 ( -3.548 2.644 6.007) 7.461 15.594 ( -11.293 10.769 0.489) 15.612 15.714 ( -10.607 3.768 5.088) 12.353 16.351 ( 6.683 -8.430 -1.796) 10.907 16.520 ( 6.250 -7.374 -1.439) 9.773 16.621 ( 1.634 0.671 -3.284) 3.729 16.761 ( -0.949 -0.317 -6.326) 6.405 19.109 ( 2.253 0.683 1.564) 2.826 19.184 ( 2.561 1.637 3.610) 4.719 20.121 ( -2.228 0.201 -1.730) 2.828 20.154 ( -1.970 0.845 -1.539) 2.639 ======================= Grid point 204 (95/160) ======================= q-point: ( 0.40 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 12.219 1.613 -7.717) 14.541 2.025 ( 12.716 3.907 -6.488) 14.801 2.274 ( -6.488 2.562 5.260) 8.737 2.489 ( -5.378 -1.497 -6.519) 8.583 2.533 ( -1.889 -0.837 4.825) 5.249 2.651 ( -0.892 0.604 3.068) 3.252 2.741 ( -5.306 0.469 4.400) 6.909 2.807 ( -10.503 2.816 2.838) 11.238 2.928 ( -1.821 1.388 -0.225) 2.301 3.034 ( 2.381 -7.863 3.387) 8.887 3.211 ( 1.893 1.666 -2.724) 3.712 3.341 ( -7.459 2.902 -7.030) 10.653 3.751 ( 5.194 -5.056 -8.581) 11.233 3.854 ( -0.106 -5.169 -1.492) 5.381 3.915 ( 12.917 -8.649 -8.558) 17.745 4.067 ( 23.215 -3.874 -8.607) 25.061 4.357 ( -9.430 -6.610 -5.782) 12.885 4.422 ( 8.256 -4.844 6.266) 11.440 4.500 ( -4.295 -0.862 1.079) 4.511 4.774 ( 2.948 8.556 0.876) 9.092 4.894 ( -7.288 -12.311 9.001) 16.903 4.999 ( -3.102 7.577 3.564) 8.929 5.242 ( -9.832 -1.453 -4.058) 10.735 5.260 ( -1.726 2.737 3.686) 4.905 5.488 ( -3.485 9.223 4.421) 10.806 5.701 ( -5.301 2.782 0.408) 6.001 5.786 ( 0.573 0.542 -1.893) 2.050 5.915 ( -4.265 1.438 -5.081) 6.788 6.384 ( 2.173 8.370 5.714) 10.365 6.545 ( -4.782 15.709 9.321) 18.882 7.126 ( 4.133 7.647 -9.567) 12.926 7.281 ( -1.007 6.811 -1.595) 7.067 7.641 ( 4.265 -2.781 3.736) 6.315 7.970 ( 0.568 2.535 6.361) 6.871 8.172 ( 4.927 1.244 -6.730) 8.433 8.417 ( 1.154 -0.265 -5.094) 5.230 8.999 ( 7.991 -3.665 -0.109) 8.792 9.215 ( 2.786 0.439 6.672) 7.243 9.350 ( -4.291 3.767 -0.285) 5.717 9.444 ( -4.973 0.958 4.337) 6.668 9.614 ( -0.636 -2.019 -8.409) 8.672 9.857 ( 2.988 -2.699 -2.682) 4.838 10.328 ( -1.735 -2.292 -2.908) 4.089 10.412 ( -10.350 -2.217 2.113) 10.794 11.820 ( 10.181 0.195 -2.010) 10.380 12.103 ( 2.886 0.226 4.220) 5.118 12.148 ( -1.052 -0.815 0.744) 1.525 12.238 ( 2.834 -3.049 2.485) 4.848 15.290 ( -4.390 8.932 0.758) 9.981 15.419 ( -6.713 11.359 -0.375) 13.200 15.547 ( -1.845 2.742 10.815) 11.309 15.648 ( -6.747 2.096 8.318) 10.913 16.394 ( 3.675 -4.132 -6.450) 8.496 16.545 ( -0.601 -0.884 -10.094) 10.151 16.587 ( 2.508 -3.638 -1.508) 4.669 16.679 ( 1.039 -3.059 -4.208) 5.305 19.192 ( 2.869 0.186 4.328) 5.196 19.265 ( 0.831 0.646 4.583) 4.703 20.067 ( -1.060 0.842 -2.097) 2.496 20.101 ( -1.441 1.156 -2.165) 2.846 ======================= Grid point 205 (96/160) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 2.905 -1.062 -0.698) 3.171 2.106 ( -5.718 1.586 1.685) 6.168 2.200 ( 0.990 0.532 -4.099) 4.250 2.323 ( 1.411 0.885 -3.075) 3.497 2.545 ( -5.537 2.964 -2.333) 6.700 2.672 ( 5.738 0.912 -2.579) 6.357 2.715 ( -1.428 3.000 6.242) 7.071 2.822 ( 3.222 -0.313 4.188) 5.294 2.929 ( 4.619 0.093 1.779) 4.951 3.011 ( -4.136 -3.470 -2.006) 5.760 3.158 ( 0.108 2.268 -6.347) 6.741 3.262 ( 1.089 0.987 -6.389) 6.556 3.780 ( 4.793 -7.603 2.137) 9.238 3.824 ( -3.543 -8.401 1.245) 9.202 4.027 ( -1.852 -8.952 -5.556) 10.698 4.079 ( 1.083 -8.958 -7.689) 11.855 4.375 ( -17.340 -3.535 -0.394) 17.701 4.423 ( 16.904 -3.112 -2.160) 17.323 4.595 ( -2.950 -2.327 3.809) 5.351 4.666 ( 0.646 -2.846 1.707) 3.381 4.874 ( 4.716 3.999 1.883) 6.463 5.022 ( -3.066 1.151 -0.197) 3.281 5.127 ( 0.736 2.356 4.985) 5.563 5.313 ( -0.532 5.317 0.867) 5.413 5.533 ( 1.123 4.605 4.030) 6.221 5.638 ( -1.008 7.607 0.742) 7.710 5.744 ( -0.168 1.385 -6.034) 6.193 5.772 ( -2.853 2.492 -4.675) 6.017 6.562 ( 2.941 11.234 11.130) 16.085 6.637 ( 0.437 11.294 12.445) 16.812 7.030 ( -3.007 4.042 -8.189) 9.615 7.180 ( -0.386 7.298 -9.905) 12.309 7.758 ( 0.429 -3.178 6.799) 7.517 8.047 ( 0.114 1.221 4.257) 4.430 8.132 ( 2.564 -1.073 -8.609) 9.047 8.349 ( 1.755 5.321 -7.269) 9.177 9.137 ( 2.497 -3.103 4.881) 6.300 9.229 ( -14.596 -2.274 4.154) 15.345 9.337 ( -3.545 3.025 2.101) 5.112 9.380 ( 8.704 2.094 1.077) 9.016 9.656 ( 8.938 -1.128 -3.486) 9.660 9.806 ( -3.191 -2.369 -6.571) 7.679 10.261 ( -7.757 -1.961 0.980) 8.061 10.330 ( 5.426 -2.654 -1.604) 6.250 11.964 ( 4.239 -1.076 1.146) 4.521 12.028 ( -4.782 0.650 -1.642) 5.098 12.226 ( 1.038 -1.320 3.688) 4.052 12.279 ( -0.591 -0.675 1.415) 1.676 15.277 ( 1.363 10.002 1.486) 10.204 15.334 ( -1.810 10.049 -1.147) 10.275 15.660 ( -2.400 1.329 10.784) 11.127 15.691 ( -0.369 3.463 11.506) 12.021 16.328 ( 0.950 -2.364 -10.867) 11.161 16.387 ( 0.828 1.518 -12.500) 12.619 16.605 ( -1.752 -4.382 0.765) 4.781 16.668 ( 2.044 -3.017 -2.365) 4.344 19.288 ( 1.302 -0.913 4.267) 4.554 19.316 ( -0.114 -0.437 3.254) 3.285 20.041 ( 0.537 1.429 -1.404) 2.074 20.056 ( -0.744 1.351 -2.075) 2.585 ======================= Grid point 207 (97/160) ======================= q-point: (-0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -18.559 0.704 -3.726) 18.943 1.884 ( -18.781 4.096 -0.362) 19.226 2.299 ( 11.369 -2.828 -0.941) 11.753 2.474 ( 5.238 4.576 6.244) 9.347 2.513 ( 8.673 1.072 -4.009) 9.614 2.726 ( 1.417 1.086 2.923) 3.425 2.802 ( 11.069 2.451 -5.435) 12.572 2.917 ( -3.408 -0.471 -0.926) 3.563 2.977 ( 6.126 -3.196 3.058) 7.556 3.065 ( 0.387 -1.497 -1.712) 2.307 3.112 ( 4.121 0.359 -2.304) 4.735 3.194 ( 6.044 4.347 -3.935) 8.421 3.659 ( -15.013 -11.492 -1.701) 18.983 3.729 ( -22.657 -1.610 -2.445) 22.845 3.906 ( -2.957 -7.805 1.780) 8.534 3.947 ( -9.102 -6.385 -0.195) 11.120 4.242 ( 13.252 -3.257 -2.824) 13.936 4.506 ( -1.943 -0.007 2.161) 2.906 4.584 ( 0.800 -0.177 1.041) 1.325 4.816 ( -7.533 0.875 -2.232) 7.905 4.959 ( 9.282 -8.751 7.708) 14.905 5.083 ( 9.111 4.526 -0.616) 10.192 5.233 ( 6.175 -1.657 -0.097) 6.394 5.309 ( 2.215 1.799 -1.390) 3.174 5.554 ( -1.890 3.329 2.426) 4.532 5.614 ( -2.308 8.402 0.164) 8.715 5.704 ( 3.765 7.189 -3.962) 9.030 5.801 ( 7.473 -1.417 0.776) 7.646 6.667 ( -7.575 8.884 7.938) 14.118 6.750 ( -2.841 10.100 -0.255) 10.495 6.871 ( -1.454 10.451 -0.658) 10.572 7.129 ( 7.034 0.756 -4.931) 8.623 7.779 ( -5.578 -2.990 2.820) 6.928 8.051 ( 3.772 -4.335 -3.989) 6.995 8.151 ( 0.400 6.487 3.868) 7.563 8.313 ( 4.814 6.318 -8.032) 11.297 8.978 ( -15.817 -3.207 2.678) 16.360 9.221 ( -3.154 -0.695 7.536) 8.199 9.303 ( -2.946 4.268 1.485) 5.394 9.528 ( -0.408 2.495 -4.816) 5.439 9.656 ( 4.895 -2.774 -4.271) 7.064 9.749 ( 4.693 -3.390 -0.885) 5.857 10.212 ( 0.268 -1.396 1.679) 2.200 10.461 ( 10.032 -3.410 -0.291) 10.600 11.812 ( -12.526 0.595 -1.183) 12.596 12.103 ( 4.031 -0.790 1.645) 4.425 12.231 ( -3.657 -0.417 0.622) 3.733 12.271 ( -2.095 -2.390 1.303) 3.435 15.334 ( 3.458 8.586 -1.211) 9.335 15.373 ( 7.410 10.927 1.877) 13.335 15.763 ( 0.382 0.617 10.140) 10.166 15.865 ( 4.370 2.842 10.008) 11.284 16.198 ( -0.606 -0.759 -9.160) 9.211 16.277 ( 2.022 1.715 -10.816) 11.136 16.544 ( -5.699 -6.640 0.674) 8.776 16.671 ( 0.160 -1.578 -1.507) 2.188 19.302 ( -2.321 -1.275 0.940) 2.810 19.356 ( 0.156 -0.565 1.358) 1.479 20.033 ( 0.585 1.016 -1.202) 1.679 20.050 ( 1.451 1.578 -0.230) 2.156 ======================= Grid point 208 (98/160) ======================= q-point: (-0.30 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -22.288 5.111 0.951) 22.887 1.540 ( -21.738 7.514 3.740) 23.302 2.492 ( 7.626 2.352 1.197) 8.070 2.597 ( -0.596 3.539 -4.957) 6.120 2.631 ( 9.787 0.151 3.139) 10.279 2.763 ( 4.323 -0.219 -2.578) 5.038 2.830 ( -12.490 2.913 -0.592) 12.839 2.914 ( 0.049 1.456 3.770) 4.042 3.004 ( 2.065 1.798 -0.967) 2.904 3.031 ( 0.724 1.750 -1.226) 2.256 3.213 ( 10.123 2.012 -5.394) 11.646 3.263 ( -4.681 -6.958 2.346) 8.708 3.349 ( -5.376 -0.216 -0.484) 5.402 3.483 ( -3.080 -9.024 7.749) 12.287 3.809 ( -0.445 -7.285 -2.022) 7.573 3.983 ( 2.130 -8.098 -1.431) 8.495 4.357 ( 0.583 3.360 1.085) 3.579 4.473 ( -7.250 0.802 -6.781) 9.959 4.581 ( 5.511 -2.204 1.394) 6.097 4.748 ( 1.189 4.173 0.577) 4.377 5.095 ( -4.144 5.877 -1.462) 7.338 5.147 ( 5.089 -11.315 9.290) 15.499 5.241 ( -0.962 -2.357 -7.543) 7.961 5.453 ( 11.655 -0.617 -1.581) 11.778 5.602 ( -2.714 2.487 5.814) 6.881 5.616 ( 1.608 1.741 4.810) 5.362 5.755 ( 7.999 6.226 -4.568) 11.118 5.967 ( 9.318 -2.367 1.769) 9.775 6.433 ( -12.341 3.573 -3.253) 13.253 6.769 ( -1.789 12.793 4.569) 13.702 6.860 ( 1.114 13.757 -2.756) 14.074 7.260 ( 6.932 0.042 1.830) 7.170 7.639 ( -9.879 -4.730 -3.556) 11.515 8.089 ( 2.520 -3.812 -1.142) 4.710 8.168 ( 0.081 14.731 -0.930) 14.761 8.345 ( 6.317 2.235 -3.412) 7.520 8.784 ( -10.277 -3.291 3.489) 11.342 9.136 ( -14.889 0.257 3.443) 15.284 9.273 ( -2.698 3.803 2.401) 5.244 9.428 ( 1.310 3.922 -1.772) 4.499 9.797 ( 5.512 -3.681 -0.822) 6.679 9.826 ( 9.883 -3.095 -1.729) 10.500 10.298 ( 5.954 -0.953 2.842) 6.666 10.628 ( 9.093 -3.861 -0.329) 9.884 11.568 ( -14.454 1.272 -0.178) 14.511 12.125 ( -5.177 -2.933 1.297) 6.090 12.137 ( -6.008 -0.614 -2.228) 6.437 12.239 ( -1.200 -4.345 -0.360) 4.522 15.423 ( 8.228 6.764 -0.796) 10.681 15.570 ( 13.078 12.580 1.200) 18.186 15.884 ( 3.436 -0.754 0.727) 3.593 16.023 ( 7.209 -0.669 -6.636) 9.821 16.134 ( -1.653 2.401 4.651) 5.489 16.227 ( 1.424 0.981 3.567) 3.964 16.441 ( -7.221 -8.287 1.193) 11.057 16.625 ( -3.534 -1.245 -1.244) 3.948 19.249 ( -2.678 -0.542 -2.333) 3.593 19.333 ( -2.789 0.089 -1.476) 3.157 20.052 ( 2.239 0.048 0.326) 2.263 20.079 ( 1.533 1.425 0.799) 2.241 ======================= Grid point 209 (99/160) ======================= q-point: (-0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -18.640 11.661 12.703) 25.393 1.283 ( -18.793 13.150 13.214) 26.471 2.277 ( -34.951 22.277 15.094) 44.109 2.460 ( -4.748 4.924 -8.599) 10.988 2.708 ( -2.914 0.769 -8.865) 9.363 2.736 ( 6.063 -6.489 -1.664) 9.036 2.823 ( 1.280 -2.635 -1.323) 3.215 2.943 ( 13.759 -2.854 1.242) 14.107 3.096 ( 7.544 -0.015 2.250) 7.872 3.207 ( 4.949 0.708 -7.348) 8.887 3.266 ( 6.881 -0.164 13.037) 14.743 3.312 ( -0.661 -4.401 9.177) 10.199 3.408 ( 5.682 -2.763 1.864) 6.587 3.571 ( 1.014 -5.930 8.731) 10.603 3.856 ( 7.655 -5.234 -2.666) 9.650 3.981 ( 3.158 -7.130 -5.511) 9.549 4.227 ( -8.062 -1.492 -7.831) 11.338 4.358 ( -2.590 4.263 2.772) 5.707 4.689 ( 0.418 5.569 1.077) 5.688 4.795 ( 8.399 3.351 -3.128) 9.569 4.941 ( -8.754 6.766 -5.009) 12.145 5.126 ( 0.613 -2.578 -8.870) 9.257 5.368 ( 6.071 -12.182 2.766) 13.889 5.514 ( -0.269 4.437 1.008) 4.558 5.593 ( -7.943 0.113 3.674) 8.753 5.723 ( 3.661 -2.804 8.774) 9.911 5.835 ( 3.493 -1.320 -1.043) 3.877 6.155 ( 10.087 -2.843 2.221) 10.713 6.303 ( -2.492 4.193 3.417) 5.956 6.784 ( 0.248 9.098 1.717) 9.262 6.876 ( 3.545 13.417 -0.914) 13.907 7.206 ( -14.335 -0.318 -9.967) 17.462 7.501 ( 1.658 -2.610 2.205) 3.798 8.089 ( 1.393 -4.271 -3.285) 5.565 8.184 ( 5.525 21.647 -4.500) 22.790 8.381 ( 2.515 2.655 -4.661) 5.924 8.710 ( -5.552 -4.630 5.466) 9.063 8.931 ( -10.798 2.853 2.208) 11.384 9.280 ( -1.646 0.790 4.228) 4.606 9.470 ( 3.034 5.990 2.022) 7.012 9.864 ( 5.485 -4.326 -1.807) 7.215 10.001 ( 9.700 -2.318 1.447) 10.078 10.445 ( 6.728 -1.482 1.537) 7.059 10.756 ( 6.915 -3.424 -0.727) 7.751 11.337 ( -13.702 1.458 2.909) 14.083 11.925 ( -17.260 -11.521 -1.251) 20.789 11.996 ( -6.008 -0.137 -4.184) 7.323 12.203 ( -1.638 -1.137 -3.642) 4.152 15.585 ( 11.085 3.637 -0.585) 11.681 15.806 ( 8.899 7.423 -8.684) 14.481 15.855 ( 8.968 5.362 -5.491) 11.803 16.032 ( 5.789 1.055 -5.184) 7.842 16.159 ( -3.679 -5.303 3.986) 7.586 16.328 ( -6.239 -7.836 2.816) 10.405 16.465 ( 4.454 1.187 16.553) 17.182 16.533 ( -4.952 1.188 -0.451) 5.113 19.159 ( -2.924 0.106 -4.470) 5.342 19.241 ( -3.996 0.579 -3.143) 5.117 20.106 ( 2.214 -0.429 1.544) 2.733 20.124 ( 1.849 0.931 1.963) 2.853 ======================= Grid point 210 (100/160) ======================= q-point: (-0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -9.040 16.322 20.513) 27.730 1.235 ( -10.268 16.708 19.456) 27.625 2.055 ( -21.142 23.753 34.644) 47.025 2.265 ( -3.787 6.656 -11.064) 13.456 2.478 ( -3.632 1.870 -14.587) 15.148 2.803 ( 2.816 -3.021 -1.928) 4.558 2.892 ( 3.531 -4.826 2.302) 6.408 3.113 ( 3.993 -2.410 -4.793) 6.687 3.149 ( 4.979 0.251 -5.960) 7.771 3.266 ( 2.965 -11.389 6.553) 13.470 3.452 ( -0.291 -4.617 6.466) 7.951 3.495 ( 7.639 -1.681 2.202) 8.126 3.576 ( 6.743 0.236 12.823) 14.490 3.801 ( 8.693 -9.601 10.137) 16.447 3.927 ( 2.448 -6.335 -5.113) 8.501 3.989 ( 4.020 -2.657 -0.234) 4.824 4.074 ( 2.214 3.925 -5.602) 7.189 4.319 ( -5.447 6.922 1.414) 8.921 4.601 ( -7.473 6.325 -3.341) 10.345 4.782 ( -1.300 6.110 -1.507) 6.426 4.873 ( 1.880 -1.615 -5.244) 5.800 5.066 ( 3.544 -4.303 -8.936) 10.533 5.340 ( 0.150 6.324 -1.418) 6.483 5.484 ( -8.194 -2.646 5.303) 10.112 5.572 ( 1.726 -0.022 0.300) 1.753 5.808 ( -4.549 -4.306 2.513) 6.749 5.906 ( 0.778 -7.199 4.672) 8.617 6.359 ( -0.426 2.444 9.191) 9.520 6.390 ( 15.297 -2.883 -0.199) 15.567 6.683 ( -17.483 -1.398 -14.418) 22.704 6.848 ( 0.419 5.013 0.185) 5.033 6.985 ( 3.640 13.799 2.969) 14.576 7.582 ( 1.979 -1.084 2.632) 3.467 8.070 ( 1.777 -5.533 -4.401) 7.290 8.202 ( 5.733 22.414 -11.497) 25.835 8.325 ( -0.932 3.196 -6.088) 6.939 8.722 ( -2.114 -1.345 7.512) 7.919 8.838 ( -3.501 3.267 3.185) 5.751 9.289 ( -0.219 -2.839 -0.026) 2.848 9.555 ( 2.029 9.107 -0.432) 9.340 9.961 ( 7.943 -4.083 0.698) 8.958 10.186 ( 7.420 -2.869 4.585) 9.182 10.532 ( 2.037 -2.852 -0.105) 3.506 10.856 ( 5.952 -2.838 -2.799) 7.164 11.190 ( -10.278 1.438 8.507) 13.419 11.574 ( -21.852 -11.654 6.260) 25.544 11.847 ( -2.418 1.700 -7.884) 8.420 12.083 ( -4.372 1.555 -6.963) 8.367 15.744 ( 6.033 -2.330 -7.016) 9.542 15.770 ( 10.733 -2.270 -1.585) 11.084 16.027 ( 1.244 -0.356 -0.803) 1.523 16.090 ( 1.283 -1.775 0.414) 2.229 16.119 ( 0.431 -0.354 0.427) 0.703 16.252 ( -0.146 -0.893 -0.895) 1.272 16.475 ( -2.165 5.376 1.812) 6.073 16.671 ( -0.600 3.976 5.896) 7.137 19.061 ( -2.282 -0.743 -3.009) 3.848 19.144 ( -2.153 0.529 -3.443) 4.095 20.162 ( 1.388 0.099 2.639) 2.983 20.181 ( 1.400 -0.120 2.225) 2.631 ======================= Grid point 211 (101/160) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -3.498 17.114 13.362) 21.993 1.722 ( -0.657 14.538 15.411) 21.197 2.222 ( -0.961 5.396 -13.713) 14.768 2.344 ( 2.119 4.433 -13.272) 14.152 2.718 ( 0.141 -3.996 1.901) 4.428 2.791 ( 0.344 -7.899 1.038) 7.974 2.905 ( 2.701 12.242 11.485) 17.002 2.972 ( -3.965 -4.294 0.538) 5.869 3.053 ( 4.006 -0.274 -2.435) 4.696 3.190 ( 5.409 -7.869 4.616) 10.606 3.319 ( -3.839 -4.811 6.723) 9.115 3.421 ( -1.668 -6.840 -2.711) 7.545 3.544 ( 2.533 -8.583 -3.322) 9.546 3.971 ( -1.779 5.319 14.560) 15.603 3.995 ( 1.535 8.928 1.850) 9.246 4.120 ( 3.346 3.859 8.431) 9.857 4.323 ( -4.539 10.984 -0.293) 11.889 4.389 ( 3.195 3.773 3.159) 5.867 4.554 ( -3.026 2.301 -2.960) 4.817 4.724 ( 1.084 0.955 -7.562) 7.698 4.828 ( -5.752 3.808 -2.931) 7.495 5.006 ( 2.862 1.423 -6.360) 7.118 5.384 ( -1.662 -6.992 6.436) 9.647 5.490 ( 1.068 -5.962 1.940) 6.360 5.577 ( -2.019 -3.816 -0.591) 4.358 5.681 ( 4.502 0.549 -5.923) 7.460 5.870 ( 3.116 2.740 5.116) 6.587 6.218 ( -13.304 -0.492 -11.112) 17.341 6.393 ( -6.929 -3.279 5.434) 9.397 6.584 ( 17.758 -5.172 -3.271) 18.783 7.041 ( 1.640 9.377 2.516) 9.846 7.273 ( -2.150 10.126 -5.939) 11.935 7.634 ( -2.159 -0.017 7.514) 7.818 7.885 ( 1.831 -8.443 -3.899) 9.478 8.210 ( -1.561 3.915 1.932) 4.636 8.533 ( -2.123 12.540 -9.008) 15.586 8.831 ( -0.297 4.036 4.684) 6.190 8.959 ( 1.946 8.522 -2.437) 9.074 9.317 ( 4.549 1.658 3.162) 5.782 9.647 ( -5.004 8.411 -7.915) 12.587 9.999 ( 0.351 -6.498 5.540) 8.546 10.238 ( 4.406 -7.167 6.283) 10.500 10.411 ( -5.301 -4.747 -4.049) 8.187 10.705 ( 0.623 -7.398 -7.543) 10.584 11.293 ( -1.582 3.876 13.308) 13.951 11.452 ( 1.427 -0.760 14.176) 14.268 11.784 ( 1.471 2.474 -9.140) 9.583 11.942 ( -0.659 -0.469 -9.452) 9.487 15.702 ( 5.972 -7.028 -1.980) 9.433 15.722 ( -4.559 -8.498 -1.591) 9.774 15.771 ( -2.201 -4.848 -0.973) 5.412 15.828 ( -1.904 -4.683 -3.840) 6.348 16.303 ( 0.313 5.018 5.700) 7.600 16.443 ( 1.634 2.885 0.244) 3.324 16.674 ( 5.067 6.094 1.054) 7.996 16.722 ( -5.843 5.165 -0.896) 7.850 19.017 ( 1.632 0.158 -1.812) 2.444 19.082 ( -0.177 -0.465 -3.872) 3.903 20.200 ( 0.276 -0.625 2.363) 2.459 20.217 ( -0.379 0.221 1.797) 1.850 ======================= Grid point 212 (102/160) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 3.121 12.581 15.747) 20.396 1.920 ( 2.470 9.063 14.324) 17.130 2.072 ( 2.016 5.975 -11.782) 13.363 2.234 ( 4.943 8.041 -15.065) 17.777 2.731 ( -1.625 -4.719 2.244) 5.472 2.769 ( -4.085 -8.559 1.961) 9.684 2.847 ( -4.367 -9.155 -4.643) 11.156 2.875 ( -1.647 -2.014 -7.107) 7.568 3.231 ( 0.861 -10.810 -1.699) 10.976 3.323 ( -0.765 -8.144 5.240) 9.714 3.341 ( 0.345 -5.297 3.463) 6.338 3.472 ( 3.292 -3.681 1.190) 5.080 3.563 ( 2.133 12.626 16.881) 21.189 3.877 ( 4.308 16.154 -16.010) 23.147 3.991 ( -14.158 5.221 1.691) 15.185 4.042 ( -12.639 8.329 2.886) 15.410 4.351 ( -4.177 2.271 14.621) 15.374 4.485 ( 4.756 4.744 -5.249) 8.525 4.604 ( 6.857 1.299 -0.128) 6.980 4.661 ( -1.461 0.671 -3.328) 3.696 4.761 ( -0.028 2.350 1.533) 2.805 4.945 ( -0.850 3.012 -4.739) 5.679 5.417 ( -2.356 -4.417 2.727) 5.700 5.506 ( -1.243 -2.943 2.454) 4.029 5.554 ( 2.791 -7.992 1.388) 8.578 5.695 ( 3.823 -3.612 -6.660) 8.486 5.888 ( -8.314 -0.169 -4.083) 9.264 6.092 ( 2.726 2.907 7.273) 8.293 6.335 ( 0.173 -1.357 1.354) 1.925 6.801 ( 13.946 -4.935 -8.585) 17.104 7.109 ( 0.128 8.737 0.192) 8.740 7.177 ( 1.835 10.554 -0.800) 10.742 7.688 ( -2.298 -1.694 8.030) 8.522 7.870 ( 2.395 -5.121 -5.519) 7.901 8.239 ( -1.142 8.983 5.362) 10.524 8.375 ( -2.765 13.856 -7.060) 15.795 8.892 ( 0.824 2.022 3.739) 4.329 8.959 ( 1.496 5.043 -2.244) 5.720 9.437 ( 1.291 2.968 1.340) 3.503 9.511 ( 2.249 8.689 -2.430) 9.298 9.979 ( -9.185 -7.817 5.517) 13.263 10.139 ( -11.837 -4.133 -8.649) 15.232 10.420 ( -0.024 -6.957 10.852) 12.891 10.626 ( -0.595 -7.385 -7.236) 10.356 11.473 ( 4.982 3.740 11.032) 12.669 11.666 ( 5.840 0.534 -0.655) 5.901 11.755 ( 7.031 -0.059 -0.088) 7.032 11.866 ( 5.561 -0.764 -8.681) 10.338 15.587 ( -5.700 -2.877 -2.006) 6.692 15.659 ( -6.322 -2.100 -0.007) 6.662 15.827 ( 8.734 -9.557 -0.047) 12.946 15.922 ( 9.060 -9.953 0.847) 13.486 16.257 ( -9.346 8.438 1.634) 12.697 16.397 ( -10.410 8.364 -2.051) 13.510 16.597 ( -0.354 1.321 0.579) 1.485 16.794 ( 3.451 3.120 1.531) 4.898 19.045 ( 3.180 -0.727 -1.918) 3.784 19.070 ( 3.436 0.565 -1.927) 3.979 20.208 ( -1.657 -0.158 0.958) 1.920 20.224 ( -0.823 0.002 1.087) 1.363 ======================= Grid point 213 (103/160) ======================= q-point: ( 0.20 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 5.964 8.750 -6.006) 12.174 2.066 ( 2.687 7.556 10.145) 12.932 2.110 ( 6.752 8.478 -9.555) 14.448 2.202 ( 6.607 5.798 7.881) 11.806 2.699 ( -2.703 -6.967 0.298) 7.479 2.717 ( -3.522 -7.579 -2.937) 8.858 2.750 ( -3.922 -3.757 -2.531) 5.992 2.762 ( -5.241 -5.576 6.346) 9.942 3.101 ( -7.551 -6.886 -8.045) 13.006 3.283 ( -8.259 -5.476 3.767) 10.601 3.419 ( 3.071 -8.247 1.812) 8.985 3.494 ( 4.215 -11.486 -4.307) 12.971 3.667 ( -11.677 2.305 -0.859) 11.933 3.758 ( -9.716 4.374 0.177) 10.656 3.849 ( 9.119 15.571 -15.960) 24.090 3.960 ( 3.853 14.518 9.052) 17.537 4.344 ( -3.529 -0.279 -12.162) 12.666 4.518 ( -1.563 0.500 14.970) 15.060 4.607 ( -3.273 -0.578 -1.783) 3.772 4.678 ( 0.753 3.342 3.072) 4.602 4.771 ( -0.342 3.797 -1.014) 3.945 4.921 ( 1.431 5.869 2.090) 6.392 5.387 ( -1.902 -1.667 -2.986) 3.913 5.567 ( 1.174 -4.496 3.601) 5.878 5.587 ( -0.076 -6.631 -2.322) 7.026 5.698 ( 1.673 2.838 -0.171) 3.299 5.730 ( -4.227 -4.811 0.781) 6.452 6.076 ( -6.996 -2.858 3.356) 8.269 6.539 ( 9.692 4.907 4.642) 11.813 6.826 ( 4.530 3.402 -6.586) 8.688 7.135 ( 6.277 9.202 -3.476) 11.669 7.283 ( 6.937 10.134 1.594) 12.384 7.738 ( -2.115 -0.532 3.481) 4.108 7.814 ( -0.668 0.894 -3.702) 3.867 8.264 ( -0.596 9.188 2.810) 9.626 8.331 ( 0.346 6.533 1.609) 6.737 8.913 ( 0.320 2.194 -3.364) 4.029 8.981 ( 2.970 1.505 1.584) 3.687 9.421 ( 4.168 3.076 -4.159) 6.644 9.645 ( 3.507 6.901 7.138) 10.529 9.811 ( -12.428 -3.020 -7.271) 14.712 9.865 ( -10.359 -7.425 2.556) 12.999 10.485 ( -3.915 -6.623 -0.911) 7.747 10.513 ( -5.189 -5.964 3.009) 8.459 11.670 ( 7.841 2.525 -5.627) 9.976 11.722 ( 7.620 2.698 5.389) 9.715 11.882 ( 9.252 -3.392 -4.235) 10.726 11.980 ( 7.131 -2.292 4.238) 8.606 15.510 ( -2.962 1.525 2.197) 3.991 15.576 ( -4.702 1.599 1.887) 5.313 15.970 ( 4.966 -6.082 0.160) 7.854 16.066 ( -3.009 2.983 1.296) 4.431 16.080 ( -7.374 4.897 -0.567) 8.870 16.191 ( -1.995 -0.605 0.151) 2.090 16.623 ( 2.056 -0.970 -1.555) 2.755 16.818 ( -0.899 -0.750 -1.638) 2.014 19.080 ( 3.723 0.129 -1.495) 4.014 19.134 ( 3.714 1.474 1.217) 4.177 20.176 ( -2.053 0.127 -0.746) 2.188 20.209 ( -1.688 0.214 0.031) 1.702 ======================= Grid point 214 (104/160) ======================= q-point: ( 0.30 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 6.695 9.042 -13.223) 17.362 2.061 ( 8.557 7.962 -7.767) 14.033 2.230 ( 1.641 3.137 9.471) 10.111 2.476 ( 5.099 1.908 11.682) 12.889 2.587 ( -4.015 -5.658 -6.782) 9.702 2.643 ( -1.481 -5.775 0.315) 5.971 2.750 ( -2.207 -6.196 2.116) 6.910 2.797 ( -3.649 -1.343 12.271) 12.872 2.844 ( -6.501 -2.723 -5.325) 8.834 3.136 ( -13.893 1.256 3.610) 14.409 3.355 ( -5.853 -0.127 -6.550) 8.785 3.494 ( -1.538 -8.553 -0.656) 8.715 3.582 ( -2.222 -4.869 -2.712) 6.000 3.624 ( 1.718 -10.217 1.802) 10.516 3.861 ( 11.168 8.990 -17.453) 22.587 3.987 ( 3.892 3.658 -15.084) 16.002 4.252 ( 1.989 4.482 4.195) 6.453 4.436 ( -11.011 -7.799 -3.440) 13.925 4.625 ( -4.358 3.994 4.195) 7.248 4.654 ( -2.305 -3.983 4.204) 6.234 4.865 ( 4.215 6.565 3.452) 8.531 5.038 ( 5.462 9.234 8.158) 13.478 5.299 ( -2.854 -1.759 -1.956) 3.881 5.408 ( -10.609 -8.760 -3.604) 14.223 5.633 ( -2.350 3.131 -0.986) 4.037 5.692 ( 3.656 -0.723 1.848) 4.160 5.826 ( 3.254 3.302 4.404) 6.394 6.014 ( -3.550 -0.640 0.979) 3.738 6.584 ( -0.348 9.021 -2.856) 9.469 6.896 ( -0.734 12.094 3.926) 12.737 7.232 ( 11.283 7.602 -3.974) 14.174 7.434 ( 8.633 9.603 0.276) 12.916 7.632 ( -2.712 4.112 -7.957) 9.358 7.856 ( -0.033 -2.524 7.171) 7.603 8.294 ( -2.710 9.059 3.566) 10.106 8.374 ( 3.907 0.062 0.186) 3.912 8.877 ( 2.483 -0.300 -4.649) 5.279 9.082 ( 4.213 0.351 4.409) 6.108 9.470 ( 3.955 -0.669 -2.340) 4.644 9.545 ( -8.341 2.023 -2.941) 9.072 9.679 ( -8.444 -3.807 -0.003) 9.262 9.796 ( 1.957 1.878 1.072) 2.917 10.349 ( -4.814 -5.796 -3.893) 8.481 10.465 ( -7.855 -4.771 3.822) 9.953 11.730 ( 8.787 2.499 -5.604) 10.717 11.937 ( 7.108 0.182 6.376) 9.550 12.023 ( 9.372 -3.621 0.074) 10.047 12.105 ( 2.482 -2.230 2.372) 4.094 15.531 ( -2.493 5.532 6.091) 8.597 15.544 ( -1.940 4.829 4.156) 6.660 15.827 ( -11.303 10.277 0.502) 15.285 15.899 ( -11.534 13.471 0.764) 17.751 16.155 ( 8.642 -9.117 -0.508) 12.573 16.328 ( 8.323 -10.159 1.373) 13.204 16.616 ( 1.006 -1.358 -3.860) 4.214 16.728 ( -2.654 -2.711 -7.342) 8.265 19.135 ( 2.813 1.443 1.194) 3.379 19.213 ( 2.452 1.011 2.655) 3.753 20.127 ( -1.543 0.474 -1.811) 2.426 20.171 ( -1.754 0.626 -1.102) 2.164 ======================= Grid point 215 (105/160) ======================= q-point: ( 0.40 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 6.025 1.656 -9.839) 11.655 2.139 ( 6.112 5.506 -4.209) 9.241 2.344 ( -1.154 3.654 4.610) 5.995 2.422 ( -4.783 -2.988 -6.289) 8.447 2.537 ( -2.137 0.818 1.164) 2.567 2.640 ( 2.356 -1.792 1.822) 3.476 2.747 ( 0.697 -0.709 6.247) 6.326 2.823 ( -7.605 -3.183 3.093) 8.805 2.908 ( 0.626 -1.001 6.502) 6.609 2.985 ( -4.334 3.489 3.491) 6.568 3.236 ( 0.868 0.081 -4.745) 4.824 3.345 ( -8.979 -2.258 -2.960) 9.721 3.546 ( 4.016 -12.546 -8.267) 15.553 3.696 ( 1.416 -9.974 -1.448) 10.177 3.753 ( 3.489 -7.162 -9.355) 12.287 4.043 ( 14.394 0.006 -9.262) 17.117 4.142 ( -12.965 -10.723 -2.037) 16.948 4.404 ( 6.459 4.048 3.538) 8.404 4.545 ( -4.065 4.983 -0.421) 6.445 4.688 ( -7.775 -6.691 7.150) 12.504 4.940 ( 4.116 5.701 -0.662) 7.063 5.150 ( -7.233 1.760 -0.102) 7.445 5.205 ( -0.154 2.725 -1.377) 3.057 5.336 ( 2.990 3.955 7.318) 8.840 5.604 ( -1.147 3.076 0.923) 3.410 5.715 ( -0.942 -0.212 -1.539) 1.816 5.888 ( 0.625 5.454 -0.201) 5.493 5.953 ( -3.583 2.097 -1.676) 4.477 6.603 ( 3.988 11.949 2.919) 12.930 6.893 ( -3.252 15.879 5.219) 17.028 7.333 ( 5.520 9.374 -6.758) 12.806 7.456 ( -3.060 9.275 -7.347) 12.222 7.615 ( 5.921 1.101 2.427) 6.493 7.939 ( 1.459 -5.220 3.126) 6.256 8.247 ( -4.163 5.539 0.868) 6.984 8.443 ( 3.955 2.668 -1.582) 5.026 8.919 ( 6.615 -3.258 -0.765) 7.413 9.212 ( 0.406 -1.211 8.277) 8.375 9.410 ( -4.138 0.952 1.146) 4.398 9.459 ( -9.235 -0.844 2.058) 9.499 9.586 ( 7.557 1.003 -8.524) 11.435 9.817 ( 1.364 0.129 -3.252) 3.529 10.251 ( -1.668 -5.008 -2.509) 5.844 10.340 ( -9.404 -4.560 0.809) 10.482 11.839 ( 8.374 1.769 -1.293) 8.656 12.095 ( 1.939 -1.393 3.772) 4.464 12.128 ( -0.304 -0.970 1.529) 1.836 12.173 ( 5.732 -2.484 2.140) 6.603 15.527 ( -1.704 11.853 2.097) 12.157 15.622 ( -1.743 4.125 9.636) 10.626 15.682 ( -7.820 9.946 2.086) 12.823 15.761 ( -5.566 11.393 3.151) 13.066 16.266 ( 5.362 -6.929 -2.495) 9.110 16.452 ( 4.249 -7.656 0.692) 8.784 16.554 ( -1.528 0.088 -7.774) 7.923 16.603 ( 1.514 -3.830 -7.413) 8.480 19.203 ( 2.142 0.635 2.771) 3.559 19.273 ( 0.479 0.000 2.922) 2.961 20.088 ( -0.342 1.087 -1.813) 2.142 20.127 ( -1.335 1.110 -1.626) 2.379 ======================= Grid point 216 (106/160) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 5.371 -3.270 -2.726) 6.853 2.083 ( -6.140 -3.632 -3.705) 8.038 2.262 ( -7.376 4.926 -1.931) 9.078 2.377 ( 8.675 3.651 -3.779) 10.142 2.604 ( -7.532 2.222 1.510) 7.997 2.672 ( 8.075 -0.538 3.242) 8.719 2.780 ( -3.953 2.574 5.598) 7.321 2.820 ( 2.249 -0.016 1.907) 2.949 2.933 ( 1.079 0.515 0.056) 1.197 2.953 ( 1.354 -0.672 -2.582) 2.992 3.190 ( -0.280 -0.164 -3.937) 3.951 3.259 ( 1.088 -1.827 -5.453) 5.853 3.585 ( 3.295 -10.383 -0.524) 10.906 3.619 ( -3.071 -9.775 1.405) 10.342 3.802 ( -3.826 -11.422 -4.574) 12.885 3.817 ( 3.471 -14.264 -6.478) 16.046 4.349 ( -2.685 -0.830 -0.139) 2.814 4.373 ( 1.723 -2.365 -0.954) 3.078 4.534 ( 1.692 0.591 4.701) 5.031 4.604 ( -3.181 -0.832 4.078) 5.238 5.000 ( 1.076 5.687 -2.817) 6.437 5.050 ( 2.139 1.273 -3.026) 3.919 5.236 ( -0.430 6.820 5.407) 8.714 5.431 ( 0.130 5.708 -0.726) 5.756 5.604 ( -1.350 1.765 3.161) 3.863 5.694 ( 1.697 -0.583 0.247) 1.812 5.849 ( -1.348 5.842 -3.533) 6.959 5.872 ( -3.029 5.701 -1.354) 6.596 6.783 ( 6.895 9.469 9.476) 15.067 6.929 ( -2.271 14.527 6.590) 16.113 7.228 ( -5.735 13.006 -8.491) 16.557 7.321 ( 0.917 5.840 -10.464) 12.018 7.724 ( 0.831 0.370 4.646) 4.734 7.952 ( 2.237 -6.579 -5.277) 8.725 8.234 ( -1.254 6.964 4.890) 8.601 8.470 ( 3.667 5.974 -4.115) 8.129 9.051 ( 1.773 -4.856 5.244) 7.363 9.151 ( -11.219 -4.371 2.545) 12.307 9.408 ( 0.954 2.749 2.587) 3.894 9.451 ( 3.514 3.933 3.652) 6.415 9.629 ( 6.557 -0.704 -6.045) 8.946 9.750 ( -2.999 -2.187 -6.373) 7.375 10.197 ( -6.321 -4.184 0.057) 7.581 10.247 ( 4.408 -5.088 -1.670) 6.936 11.956 ( 2.171 0.517 1.928) 2.949 12.042 ( -2.836 0.715 -1.742) 3.404 12.194 ( -0.440 -1.648 4.063) 4.407 12.256 ( 1.154 -1.524 1.416) 2.379 15.542 ( 1.046 13.461 1.972) 13.645 15.587 ( -3.218 12.571 0.048) 12.977 15.703 ( -2.074 2.772 9.087) 9.724 15.804 ( 1.393 7.425 7.601) 10.716 16.260 ( 0.124 -3.570 -5.467) 6.530 16.426 ( 0.876 1.937 -10.463) 10.677 16.477 ( -3.650 -7.192 1.736) 8.250 16.593 ( 4.482 -3.953 -4.538) 7.504 19.268 ( 1.044 -1.020 2.801) 3.159 19.301 ( -0.082 -1.106 1.572) 1.924 20.075 ( 0.749 1.646 -0.969) 2.052 20.088 ( -1.017 1.497 -1.553) 2.384 ======================= Grid point 218 (107/160) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -12.708 -0.228 -3.398) 13.157 2.029 ( -13.397 8.090 0.271) 15.653 2.214 ( 11.811 -5.248 -2.073) 13.090 2.504 ( 7.734 -2.521 -4.830) 9.460 2.561 ( 0.406 3.542 7.266) 8.093 2.731 ( -1.379 -0.752 5.006) 5.246 2.842 ( 2.132 -1.735 -1.316) 3.048 2.911 ( 7.589 1.938 -3.097) 8.423 2.938 ( 4.784 0.811 -2.594) 5.502 3.048 ( 3.129 0.494 0.366) 3.189 3.114 ( 2.462 -1.132 -2.598) 3.754 3.272 ( 7.111 1.895 -2.914) 7.915 3.406 ( -13.124 -9.648 -0.094) 16.289 3.652 ( -2.846 -6.506 -2.142) 7.417 3.717 ( 2.523 -9.825 1.061) 10.199 3.894 ( -26.796 3.492 -2.045) 27.100 4.053 ( 19.413 -13.778 -1.375) 23.845 4.545 ( -0.970 2.950 1.824) 3.601 4.583 ( 1.057 0.717 0.856) 1.537 4.763 ( 7.795 -8.540 9.788) 15.149 4.883 ( -4.041 4.041 -4.760) 7.437 5.099 ( 5.512 -0.547 -6.327) 8.409 5.274 ( -3.017 5.260 3.090) 6.806 5.422 ( 4.504 6.042 -0.567) 7.557 5.611 ( -2.760 1.805 2.624) 4.214 5.714 ( -1.570 -0.691 -1.722) 2.431 5.833 ( 2.164 4.816 -0.788) 5.339 5.842 ( 1.856 5.825 2.281) 6.525 6.828 ( -12.201 8.053 -3.739) 15.089 6.995 ( 0.690 7.601 9.356) 12.074 7.157 ( 6.326 16.316 1.890) 17.601 7.221 ( 1.231 8.734 -8.328) 12.131 7.725 ( -5.567 -2.126 1.120) 6.063 7.944 ( 4.414 -5.242 -4.353) 8.119 8.283 ( -0.496 5.639 4.313) 7.117 8.485 ( 5.086 8.946 -5.044) 11.461 8.896 ( -13.774 -3.771 2.025) 14.423 9.194 ( -1.723 -1.812 7.217) 7.638 9.426 ( -1.787 6.886 1.765) 7.330 9.567 ( -3.684 -4.036 -5.696) 7.894 9.615 ( 8.625 3.565 -2.929) 9.781 9.655 ( 2.791 -4.498 -1.009) 5.389 10.161 ( 1.433 -3.461 1.126) 3.912 10.355 ( 8.738 -6.448 -0.354) 10.865 11.840 ( -11.242 2.068 -0.756) 11.456 12.081 ( 1.217 -1.356 1.769) 2.539 12.192 ( -3.251 -2.218 1.637) 4.262 12.246 ( -3.007 -0.474 -0.182) 3.050 15.556 ( 0.633 11.279 0.375) 11.303 15.647 ( 6.677 13.185 2.871) 15.055 15.793 ( 0.646 2.649 7.456) 7.939 15.937 ( 4.986 3.362 3.545) 6.981 16.189 ( -1.983 0.645 -1.057) 2.338 16.321 ( 0.755 1.848 -9.642) 9.847 16.394 ( -7.515 -6.673 1.302) 10.134 16.602 ( 1.730 -4.517 -3.825) 6.167 19.281 ( -1.230 -0.928 0.296) 1.569 19.326 ( 0.620 -2.105 0.851) 2.353 20.058 ( -0.494 1.353 -0.936) 1.717 20.087 ( 1.201 1.702 -0.061) 2.084 ======================= Grid point 219 (108/160) ======================= q-point: (-0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -12.622 9.002 2.893) 15.771 1.779 ( -15.316 13.694 2.811) 20.736 2.432 ( 12.479 -5.796 0.257) 13.762 2.603 ( 7.850 -4.116 1.488) 8.988 2.650 ( 3.578 -1.340 -2.781) 4.726 2.751 ( -0.698 -0.471 -8.113) 8.156 2.807 ( -1.169 -1.430 2.631) 3.215 2.939 ( 0.786 -5.327 -2.474) 5.926 2.995 ( 2.217 -3.958 0.469) 4.561 3.110 ( 8.054 2.927 2.073) 8.816 3.224 ( -3.643 5.614 -2.200) 7.044 3.269 ( -2.179 -0.622 6.175) 6.578 3.348 ( -5.642 8.634 -1.712) 10.455 3.438 ( -4.172 5.259 3.956) 7.792 3.643 ( 0.746 -7.720 -0.055) 7.756 3.772 ( 2.653 -10.451 -1.608) 10.902 4.318 ( 7.666 -7.265 -3.748) 11.207 4.543 ( -1.592 5.311 -5.403) 7.741 4.594 ( 5.618 0.536 4.788) 7.401 4.777 ( 0.387 -1.492 5.459) 5.673 4.969 ( -2.150 -0.899 3.694) 4.368 5.075 ( 4.248 -10.436 -7.005) 13.268 5.256 ( -3.298 6.870 1.765) 7.822 5.501 ( 6.133 3.359 -3.559) 7.846 5.623 ( -1.656 0.245 1.725) 2.404 5.645 ( -2.372 -0.608 2.917) 3.808 5.860 ( 2.084 3.504 -1.681) 4.410 5.952 ( 5.256 0.942 3.652) 6.469 6.564 ( -11.383 8.630 -2.735) 14.544 7.040 ( -3.252 10.516 3.638) 11.593 7.156 ( 2.161 12.029 -5.550) 13.423 7.349 ( 5.570 9.374 5.107) 12.041 7.568 ( -10.144 -2.267 -3.081) 10.841 7.977 ( 2.261 -6.034 -1.378) 6.589 8.312 ( -0.286 1.590 2.102) 2.651 8.530 ( 5.335 8.021 -3.391) 10.213 8.736 ( -5.142 2.907 0.500) 5.928 9.140 ( -11.747 0.247 3.952) 12.396 9.358 ( -3.660 2.314 -0.941) 4.431 9.520 ( 1.957 4.785 -0.778) 5.228 9.698 ( 6.310 -6.030 0.895) 8.774 9.781 ( 9.007 1.149 -1.781) 9.253 10.256 ( 6.918 -3.248 1.517) 7.792 10.507 ( 8.219 -7.525 0.502) 11.155 11.615 ( -13.801 3.214 -0.023) 14.170 11.997 ( -13.094 -6.266 1.145) 14.561 12.159 ( -5.194 1.007 -2.101) 5.692 12.182 ( 0.829 -1.572 -0.447) 1.833 15.602 ( 3.934 9.364 0.179) 10.159 15.834 ( 8.133 7.537 3.685) 11.685 15.879 ( 3.182 2.812 1.060) 4.377 15.998 ( 4.514 -0.961 -6.820) 8.234 16.202 ( -0.632 3.407 -2.149) 4.078 16.244 ( -2.082 -0.681 3.986) 4.548 16.295 ( -4.389 -2.974 5.329) 7.517 16.562 ( -0.208 -3.931 -3.474) 5.250 19.245 ( -1.759 -0.310 -2.163) 2.805 19.317 ( -1.929 -1.282 -0.744) 2.432 20.056 ( 0.794 0.491 0.406) 1.018 20.112 ( 1.239 1.360 0.723) 1.977 ======================= Grid point 220 (109/160) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -7.919 18.036 10.495) 22.319 1.618 ( -11.838 17.893 10.026) 23.682 2.566 ( -0.732 -0.295 -5.998) 6.049 2.591 ( 3.835 -2.180 -8.863) 9.900 2.686 ( -2.115 -4.435 -3.370) 5.958 2.700 ( -2.475 2.105 -0.854) 3.359 2.805 ( 2.238 4.276 2.147) 5.282 2.852 ( -2.323 1.594 0.320) 2.836 2.994 ( -3.147 -6.252 5.660) 9.002 3.171 ( 2.471 -4.840 11.757) 12.952 3.233 ( 4.923 1.388 -7.532) 9.105 3.361 ( 1.320 1.736 1.147) 2.464 3.388 ( 6.593 7.613 6.939) 12.230 3.538 ( 1.736 -0.035 8.498) 8.674 3.742 ( 7.700 -4.890 2.463) 9.448 3.786 ( 4.183 -9.073 -5.048) 11.194 4.233 ( -3.749 3.978 -3.721) 6.613 4.500 ( -2.489 8.770 2.277) 9.396 4.780 ( 6.296 2.843 0.282) 6.914 4.891 ( 3.397 -5.047 -8.039) 10.081 4.950 ( 7.152 -6.265 0.541) 9.523 5.073 ( -2.527 -1.176 0.967) 2.950 5.165 ( -4.232 1.947 0.644) 4.703 5.546 ( -5.847 -0.103 2.003) 6.182 5.569 ( 1.997 -2.910 -0.936) 3.651 5.695 ( 0.099 -2.673 3.920) 4.745 5.851 ( 0.571 3.516 -3.636) 5.090 6.107 ( 8.912 -2.252 2.166) 9.444 6.416 ( -6.750 6.578 4.079) 10.270 6.977 ( -6.452 5.230 -2.866) 8.786 7.118 ( -2.263 8.181 -6.620) 10.765 7.295 ( -7.094 11.256 1.825) 13.429 7.521 ( 2.817 3.467 2.341) 5.043 7.967 ( -0.613 -6.307 -2.413) 6.781 8.315 ( -1.230 -1.022 -0.801) 1.789 8.556 ( -0.756 -3.003 3.096) 4.378 8.763 ( 9.622 17.916 -5.417) 21.045 8.987 ( -8.269 2.561 1.699) 8.822 9.293 ( -4.025 -0.748 0.584) 4.135 9.584 ( 5.313 3.858 2.475) 7.017 9.836 ( 6.091 3.262 0.372) 6.919 9.915 ( 8.528 -5.094 1.059) 9.990 10.386 ( 7.133 -4.572 -2.098) 8.728 10.647 ( 7.162 -6.749 1.248) 9.920 11.390 ( -13.977 3.574 3.332) 14.807 11.711 ( -21.160 -6.999 2.255) 22.401 12.028 ( -5.005 1.765 -4.699) 7.089 12.165 ( -1.028 -2.196 -2.799) 3.704 15.667 ( 3.674 3.271 -1.287) 5.085 15.816 ( -2.528 -1.906 -7.679) 8.306 15.982 ( 5.072 1.334 1.368) 5.420 16.006 ( -1.290 -4.080 -3.134) 5.304 16.167 ( -1.713 2.177 -1.519) 3.159 16.227 ( 5.578 4.122 -0.512) 6.955 16.426 ( 0.588 -3.553 10.632) 11.225 16.592 ( 6.355 3.169 2.760) 7.619 19.163 ( -3.451 0.009 -3.975) 5.264 19.249 ( -3.427 0.253 -2.407) 4.195 20.094 ( 1.821 -0.332 1.814) 2.591 20.147 ( 1.159 0.915 1.738) 2.281 ======================= Grid point 221 (110/160) ======================= q-point: (-0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -4.671 19.805 13.540) 24.441 1.609 ( -6.258 18.531 12.794) 23.371 2.405 ( -2.770 5.410 -10.636) 12.250 2.476 ( -0.077 -0.838 -11.463) 11.494 2.623 ( -7.242 17.810 16.033) 25.034 2.716 ( 3.084 -3.023 -1.588) 4.602 2.813 ( -1.330 1.279 3.657) 4.096 3.001 ( 3.520 -8.145 -2.463) 9.208 3.028 ( 4.335 -10.118 6.268) 12.667 3.157 ( 2.380 -0.798 -13.045) 13.284 3.311 ( -4.146 -3.276 7.347) 9.050 3.434 ( 5.166 -9.630 2.604) 11.234 3.509 ( 3.791 -3.281 -3.177) 5.936 3.736 ( 5.627 3.054 15.164) 16.460 3.817 ( 2.897 -0.107 4.861) 5.660 3.956 ( 6.887 -0.646 8.956) 11.316 4.231 ( 6.210 10.876 -1.579) 12.623 4.464 ( -6.504 7.724 3.461) 10.674 4.717 ( -4.488 -2.233 -5.888) 7.733 4.868 ( -6.193 7.203 -9.443) 13.394 4.935 ( -3.151 4.925 -1.441) 6.021 4.984 ( 7.563 -2.646 -5.710) 9.839 5.328 ( 9.463 -5.891 5.359) 12.368 5.425 ( -8.888 -2.403 2.861) 9.641 5.586 ( 0.490 -1.865 -0.394) 1.969 5.738 ( -1.515 -4.593 0.954) 4.929 5.808 ( 0.411 1.039 -1.213) 1.649 6.318 ( 14.662 -4.088 -0.451) 15.227 6.396 ( -4.941 1.305 7.292) 8.904 6.649 ( -17.240 -1.822 -11.743) 20.938 7.027 ( -1.525 11.080 -0.275) 11.188 7.313 ( 1.808 14.445 0.006) 14.558 7.581 ( -0.151 1.244 4.411) 4.585 7.916 ( -0.557 -8.024 -3.315) 8.699 8.253 ( -2.770 -1.243 -2.049) 3.663 8.596 ( 0.549 1.378 1.166) 1.887 8.820 ( 2.350 12.961 -4.418) 13.894 8.939 ( 2.423 9.108 -1.212) 9.502 9.254 ( -0.872 -1.169 1.372) 2.003 9.735 ( 3.280 5.764 3.429) 7.466 9.892 ( 5.961 0.172 -4.587) 7.523 10.083 ( 5.567 -6.669 5.499) 10.281 10.446 ( 4.434 -5.525 -3.434) 7.872 10.755 ( 4.411 -6.697 -3.148) 8.614 11.245 ( -10.651 3.745 9.648) 14.851 11.425 ( -16.960 -2.835 10.464) 20.129 11.890 ( -2.215 2.232 -7.340) 7.985 12.076 ( -2.675 -1.656 -6.458) 7.183 15.694 ( 0.357 -3.358 -6.408) 7.244 15.704 ( 2.903 -4.195 -0.992) 5.197 15.889 ( -5.429 -5.433 -3.935) 8.630 15.993 ( -7.868 -6.555 -2.509) 10.544 16.162 ( 5.830 4.801 4.512) 8.797 16.377 ( 6.456 5.315 1.027) 8.425 16.546 ( 5.459 2.622 2.365) 6.501 16.750 ( 2.963 3.072 3.720) 5.662 19.056 ( -2.498 0.282 -3.592) 4.384 19.156 ( -2.927 0.430 -3.424) 4.525 20.152 ( 1.616 -0.607 2.507) 3.044 20.189 ( 0.611 0.437 2.350) 2.467 ======================= Grid point 222 (111/160) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -3.111 11.918 4.365) 13.068 2.015 ( -0.622 12.891 7.360) 14.857 2.268 ( -1.728 -0.699 -9.211) 9.398 2.411 ( 2.709 0.361 -10.583) 10.931 2.619 ( 1.111 -4.549 -0.685) 4.732 2.655 ( 0.010 -3.994 -0.852) 4.084 2.791 ( -0.265 -2.468 -6.272) 6.745 2.864 ( 1.885 -10.431 -10.492) 14.914 2.981 ( 2.376 -8.616 8.204) 12.132 3.024 ( -2.347 -6.480 8.892) 11.250 3.306 ( -0.665 -1.068 -3.388) 3.614 3.376 ( 2.967 -4.251 -5.088) 7.264 3.761 ( 1.635 26.087 21.158) 33.628 4.048 ( -2.036 2.027 18.897) 19.114 4.184 ( -2.200 6.210 13.633) 15.141 4.222 ( 8.570 8.274 8.824) 14.825 4.482 ( -6.584 2.177 5.837) 9.064 4.545 ( -4.932 6.657 -0.148) 8.286 4.671 ( 10.806 11.302 -9.948) 18.533 4.783 ( -5.789 4.047 -7.923) 10.614 4.868 ( -5.977 0.677 -2.555) 6.536 5.042 ( 5.793 0.185 -6.905) 9.015 5.182 ( -4.539 -11.717 0.161) 12.567 5.354 ( -2.298 -6.582 0.283) 6.978 5.431 ( 1.203 -7.626 -0.467) 7.734 5.551 ( 2.682 -9.242 -4.847) 10.775 6.040 ( 8.452 9.825 1.451) 13.041 6.224 ( -13.375 0.801 -6.448) 14.870 6.330 ( -8.253 -2.374 2.377) 8.911 6.453 ( 16.467 -6.931 -2.908) 18.101 7.244 ( 0.805 9.100 -0.831) 9.174 7.406 ( -0.825 2.835 -7.652) 8.202 7.613 ( -2.825 -1.672 2.681) 4.238 7.714 ( 1.683 -7.309 -2.319) 7.851 8.368 ( -1.421 9.510 10.437) 14.191 8.618 ( -1.370 -1.395 4.129) 4.569 8.965 ( -0.508 7.826 2.885) 8.356 9.219 ( 0.554 9.217 -2.817) 9.654 9.357 ( 6.061 5.618 -2.428) 8.614 9.801 ( -4.175 4.988 -9.031) 11.130 9.867 ( -1.524 -5.588 3.494) 6.764 10.068 ( 4.294 -8.442 5.737) 11.073 10.315 ( -3.118 -2.651 -4.287) 5.927 10.530 ( -0.036 -8.767 -7.333) 11.430 11.379 ( -1.067 3.912 12.493) 13.134 11.454 ( 0.505 0.254 12.887) 12.899 11.835 ( 1.201 2.290 -8.531) 8.914 11.918 ( 0.017 -1.616 -8.745) 8.893 15.553 ( 0.549 -5.523 -0.404) 5.565 15.560 ( -0.710 -5.855 -0.457) 5.916 15.736 ( -1.806 -0.152 -4.296) 4.663 15.768 ( -1.639 -1.680 -5.230) 5.733 16.387 ( 0.991 3.073 5.779) 6.620 16.463 ( 0.927 -0.464 2.930) 3.108 16.774 ( 4.001 3.372 0.692) 5.278 16.800 ( -3.306 2.234 -0.319) 4.003 19.028 ( 1.213 0.904 -2.461) 2.889 19.070 ( -0.440 -0.725 -3.857) 3.949 20.193 ( 0.084 0.070 2.587) 2.589 20.215 ( -0.219 -0.426 1.671) 1.739 ======================= Grid point 223 (112/160) ======================= q-point: ( 0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 2.787 6.900 9.367) 11.963 2.105 ( 0.109 7.492 7.451) 10.566 2.164 ( 2.475 3.165 -6.865) 7.954 2.347 ( 4.514 1.734 -10.431) 11.498 2.613 ( -1.543 -5.721 0.137) 5.927 2.637 ( -2.446 -4.305 1.656) 5.221 2.686 ( -2.901 -2.421 -5.530) 6.697 2.780 ( -0.199 -6.245 -7.250) 9.571 3.029 ( -2.051 -6.259 3.008) 7.241 3.143 ( 1.675 -8.145 8.066) 11.585 3.257 ( -0.561 -1.900 -3.139) 3.712 3.346 ( 1.098 -4.932 -6.048) 7.881 3.973 ( -8.752 16.059 13.949) 23.001 4.105 ( -11.397 6.591 8.299) 15.563 4.194 ( -7.095 9.568 -1.843) 12.054 4.272 ( -7.385 12.415 4.616) 15.165 4.427 ( -1.900 7.977 1.369) 8.314 4.483 ( -3.040 -1.323 4.089) 5.264 4.723 ( 3.482 7.723 -5.728) 10.227 4.738 ( 3.337 4.181 -0.565) 5.379 4.809 ( 4.840 4.023 -2.166) 6.656 4.989 ( -2.259 -1.391 -1.865) 3.243 5.206 ( 0.852 -14.150 8.246) 16.400 5.351 ( 6.644 -9.044 -4.860) 12.230 5.465 ( 1.381 -4.018 1.323) 4.450 5.530 ( 2.249 -8.308 -6.260) 10.643 5.938 ( -9.213 3.933 -3.840) 10.728 6.099 ( -8.354 -2.411 3.286) 9.295 6.396 ( 13.999 6.296 1.048) 15.386 6.681 ( 14.986 -6.297 -5.578) 17.186 7.257 ( 0.691 5.684 -0.382) 5.738 7.337 ( 2.306 4.116 -2.619) 5.396 7.642 ( 1.954 -1.623 3.098) 4.006 7.749 ( 4.864 -5.578 -1.958) 7.656 8.459 ( -3.052 9.661 10.149) 14.341 8.590 ( -3.154 4.737 -2.297) 6.137 8.996 ( -1.266 8.850 3.690) 9.671 9.144 ( -0.134 12.359 -7.896) 14.667 9.438 ( -1.642 -4.325 5.008) 6.818 9.650 ( 3.672 -0.909 -11.012) 11.643 9.844 ( -9.261 0.094 8.425) 12.520 10.078 ( -6.741 -1.011 -6.724) 9.575 10.261 ( -0.926 -7.155 9.147) 11.649 10.443 ( -0.906 -9.542 -6.489) 11.575 11.553 ( 4.431 3.617 10.205) 11.699 11.657 ( 5.450 -1.221 8.205) 9.926 11.780 ( 4.984 1.908 -8.113) 9.711 11.847 ( 4.891 -1.034 -8.558) 9.911 15.542 ( 0.501 -1.303 -0.852) 1.636 15.614 ( 3.601 -3.640 -0.085) 5.121 15.682 ( 0.930 -2.619 -0.335) 2.800 15.756 ( 4.193 -5.447 -0.080) 6.874 16.402 ( -4.110 5.383 1.481) 6.933 16.516 ( 1.672 1.353 0.172) 2.158 16.644 ( -10.954 4.695 -0.604) 11.933 16.816 ( -1.323 -1.006 0.566) 1.756 19.039 ( 3.007 0.332 -2.074) 3.668 19.074 ( 4.330 -0.427 -1.418) 4.576 20.207 ( -1.283 0.120 1.225) 1.778 20.221 ( -0.758 -0.282 0.869) 1.187 ======================= Grid point 224 (113/160) ======================= q-point: ( 0.20 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 3.987 5.732 0.146) 6.984 2.205 ( 1.404 6.741 5.957) 9.105 2.236 ( 7.139 2.858 4.376) 8.848 2.318 ( 5.473 3.002 -6.789) 9.222 2.563 ( -1.810 -4.970 -2.793) 5.982 2.575 ( -3.554 -3.134 -0.329) 4.750 2.646 ( -2.729 -5.861 5.617) 8.564 2.668 ( -5.267 -4.214 -1.754) 6.969 2.988 ( -2.259 -1.360 -5.845) 6.412 3.181 ( -3.764 -2.798 3.108) 5.627 3.266 ( 0.768 -7.897 1.942) 8.168 3.290 ( 0.994 -6.870 -4.031) 8.027 3.765 ( -14.154 6.892 -2.467) 15.935 3.906 ( -16.477 8.613 0.226) 18.594 4.099 ( -1.199 1.109 -11.224) 11.342 4.180 ( -7.300 1.798 4.484) 8.754 4.327 ( -4.954 5.361 -3.334) 8.025 4.526 ( -2.479 5.164 3.920) 6.941 4.654 ( -3.466 3.402 -2.309) 5.377 4.801 ( -2.305 6.576 4.125) 8.097 4.877 ( 4.368 5.146 1.194) 6.855 5.020 ( 4.607 3.383 3.258) 6.579 5.285 ( -1.537 -7.135 1.582) 7.468 5.330 ( -1.243 -13.164 -7.690) 15.296 5.541 ( 7.350 -0.972 1.280) 7.523 5.613 ( 7.237 -4.364 4.344) 9.502 5.814 ( -1.462 5.393 -0.886) 5.658 6.008 ( -4.940 -3.634 2.525) 6.632 6.659 ( 12.151 5.929 0.466) 13.528 6.840 ( 12.646 -1.535 -4.051) 13.368 7.287 ( 4.557 5.380 -1.282) 7.166 7.404 ( 5.237 1.372 0.870) 5.483 7.733 ( 3.002 0.905 3.718) 4.863 7.813 ( 4.278 -1.328 -1.705) 4.793 8.450 ( -4.117 8.203 -3.714) 9.901 8.511 ( -5.528 7.095 5.555) 10.571 9.007 ( -1.586 6.425 1.881) 6.880 9.064 ( -0.451 7.874 -3.785) 8.749 9.384 ( -0.786 -6.747 -5.468) 8.720 9.629 ( -5.563 -12.526 3.238) 14.083 9.803 ( -3.503 8.743 0.094) 9.419 9.891 ( -4.487 7.133 0.006) 8.427 10.319 ( -2.619 -8.679 -2.673) 9.451 10.359 ( -3.761 -8.302 5.126) 10.457 11.723 ( 6.857 2.271 -2.964) 7.807 11.769 ( 5.982 1.160 1.847) 6.367 11.839 ( 8.245 -0.168 -2.335) 8.571 11.928 ( 6.772 -2.551 2.965) 7.820 15.563 ( 0.731 3.332 2.779) 4.400 15.626 ( -1.130 3.153 2.354) 4.094 15.795 ( 9.016 -7.518 0.449) 11.747 15.894 ( 9.364 -9.231 2.198) 13.331 16.287 ( -8.816 9.628 -2.367) 13.267 16.388 ( -12.238 10.935 0.092) 16.412 16.575 ( 1.487 -3.391 -1.783) 4.110 16.758 ( -3.851 -4.915 -2.088) 6.584 19.091 ( 4.606 1.035 -0.600) 4.758 19.147 ( 4.102 -0.426 0.766) 4.195 20.183 ( -1.696 0.552 -0.633) 1.893 20.208 ( -1.439 -0.303 0.038) 1.471 ======================= Grid point 225 (114/160) ======================= q-point: ( 0.30 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -0.123 6.736 -12.721) 14.395 2.234 ( 4.214 7.092 -2.796) 8.710 2.298 ( 1.711 3.674 6.598) 7.743 2.451 ( 3.995 -3.177 1.095) 5.220 2.499 ( 0.294 -4.793 -2.911) 5.616 2.560 ( -2.255 -0.540 2.022) 3.076 2.639 ( 4.075 -3.693 4.986) 7.423 2.721 ( -2.484 -5.025 12.514) 13.712 2.845 ( -3.371 3.097 -5.406) 7.084 3.158 ( -6.225 0.903 4.995) 8.032 3.196 ( 0.624 -11.445 -8.286) 14.143 3.331 ( -0.356 -6.308 3.159) 7.063 3.539 ( -9.900 3.401 -1.155) 10.531 3.617 ( -13.459 4.772 -1.853) 14.400 3.859 ( -8.750 -6.157 -12.824) 16.701 4.039 ( -9.801 -11.142 -2.314) 15.019 4.248 ( -0.558 8.233 -5.658) 10.005 4.494 ( 1.207 8.480 -2.588) 8.948 4.622 ( -0.833 0.751 2.057) 2.342 4.746 ( -4.503 5.064 -0.919) 6.839 4.952 ( 2.650 1.698 0.141) 3.150 5.181 ( 3.803 -1.228 1.892) 4.422 5.210 ( -1.668 -2.515 1.674) 3.451 5.283 ( -1.754 -0.869 5.373) 5.718 5.673 ( 4.337 0.620 -2.712) 5.152 5.683 ( 3.161 0.093 -2.142) 3.820 5.894 ( 4.318 2.778 4.430) 6.782 5.991 ( -0.924 -1.601 2.063) 2.770 6.785 ( 6.179 9.877 -1.957) 11.814 7.050 ( 10.409 1.956 1.393) 10.683 7.359 ( 6.074 4.458 -2.306) 7.880 7.511 ( 6.744 -1.078 -0.946) 6.894 7.778 ( -0.731 6.602 -2.135) 6.977 7.838 ( 0.207 1.602 1.241) 2.037 8.392 ( 1.458 1.952 -0.937) 2.611 8.452 ( -7.278 4.038 4.345) 9.389 8.941 ( -2.800 6.862 -2.903) 7.960 9.094 ( 2.009 0.943 4.028) 4.599 9.346 ( 2.093 -6.396 -2.662) 7.237 9.518 ( -9.068 -9.528 0.838) 13.180 9.709 ( -0.621 9.579 -4.180) 10.470 9.913 ( -0.677 6.509 2.528) 7.016 10.205 ( -3.713 -7.006 -3.800) 8.793 10.337 ( -6.336 -7.196 3.135) 10.088 11.790 ( 7.746 3.047 -4.073) 9.266 11.906 ( 7.782 -2.531 0.860) 8.229 11.997 ( 7.166 0.483 3.769) 8.111 12.057 ( 3.454 -2.179 2.891) 5.004 15.628 ( 0.048 4.276 6.282) 7.599 15.656 ( -1.061 5.107 5.826) 7.819 15.958 ( 8.809 -5.246 -0.887) 10.291 16.061 ( -0.997 1.273 -3.737) 4.072 16.104 ( -1.077 2.829 3.314) 4.489 16.218 ( -7.245 7.898 1.710) 10.853 16.561 ( 1.507 -3.537 -4.942) 6.261 16.652 ( -2.846 -4.508 -5.351) 7.553 19.163 ( 3.169 1.306 0.847) 3.531 19.219 ( 2.329 -0.562 1.677) 2.925 20.143 ( -1.175 0.975 -1.559) 2.182 20.176 ( -1.446 -0.167 -0.869) 1.695 ======================= Grid point 226 (115/160) ======================= q-point: ( 0.40 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -1.514 3.090 -10.052) 10.625 2.176 ( -4.988 -2.347 -6.273) 8.351 2.395 ( 4.752 2.290 -3.743) 6.468 2.461 ( 1.104 4.702 2.030) 5.239 2.519 ( 1.389 -2.347 -1.648) 3.186 2.626 ( 7.190 0.232 1.724) 7.398 2.744 ( 1.405 2.867 6.226) 6.997 2.778 ( 0.761 0.074 1.574) 1.750 2.895 ( -1.447 -1.639 10.688) 10.909 3.068 ( -8.189 4.124 3.978) 9.994 3.135 ( 3.204 -9.994 -6.830) 12.522 3.286 ( -8.133 -3.848 0.054) 8.998 3.376 ( -4.659 -2.136 -3.714) 6.329 3.502 ( 1.779 -5.393 0.194) 5.682 3.592 ( -7.267 -7.252 -6.074) 11.929 3.784 ( -14.859 -15.410 -1.890) 21.490 4.207 ( 6.670 7.775 -8.653) 13.409 4.496 ( -1.653 -1.015 -0.456) 1.992 4.613 ( -1.836 2.871 -0.001) 3.408 4.671 ( -2.075 5.125 -1.291) 5.678 5.004 ( 4.497 1.408 -0.790) 4.778 5.107 ( -1.382 -2.576 -1.886) 3.479 5.329 ( -0.234 5.479 6.698) 8.656 5.409 ( 3.797 2.430 9.725) 10.719 5.651 ( 0.986 1.538 -3.863) 4.273 5.697 ( 1.122 -1.300 -5.091) 5.373 5.965 ( 0.731 2.184 -0.267) 2.318 5.992 ( -1.427 1.217 0.846) 2.057 6.873 ( 5.048 13.144 0.559) 14.091 7.159 ( 1.914 7.528 0.951) 7.825 7.428 ( 5.359 1.138 -5.308) 7.628 7.591 ( 2.254 0.824 -1.148) 2.661 7.725 ( 1.265 7.711 -3.282) 8.476 7.829 ( -1.438 -2.747 -0.739) 3.187 8.363 ( -4.530 4.934 4.919) 8.310 8.494 ( 3.071 0.754 3.553) 4.756 8.904 ( 2.081 2.921 -1.236) 3.794 9.156 ( -5.812 -4.180 7.247) 10.187 9.378 ( 2.245 -2.889 1.062) 3.810 9.398 ( -0.324 -3.668 -2.581) 4.496 9.686 ( 3.156 7.513 -4.554) 9.335 9.876 ( -3.503 4.108 -2.568) 5.978 10.124 ( -1.107 -6.304 -2.366) 6.824 10.225 ( -7.651 -6.188 -0.652) 9.861 11.893 ( 6.635 3.178 -0.130) 7.358 12.041 ( 4.072 -3.367 2.583) 5.882 12.116 ( 0.710 -0.094 1.922) 2.051 12.141 ( 4.421 -0.997 3.080) 5.479 15.703 ( -0.528 4.257 6.670) 7.931 15.719 ( -2.653 5.469 8.723) 10.632 15.904 ( -5.159 11.017 -1.958) 12.321 15.990 ( -1.978 5.069 -3.231) 6.328 16.170 ( 3.709 0.339 2.107) 4.279 16.284 ( 3.996 -6.814 3.581) 8.673 16.517 ( 2.269 -3.862 -6.940) 8.260 16.545 ( -0.776 -1.540 -6.769) 6.986 19.214 ( 1.432 0.571 1.213) 1.962 19.261 ( 0.411 -1.156 1.296) 1.785 20.113 ( -0.092 1.289 -1.352) 1.871 20.143 ( -1.004 0.267 -1.127) 1.533 ======================= Grid point 227 (116/160) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 2.881 -2.113 -5.169) 6.284 1.995 ( -4.244 -3.948 -6.276) 8.544 2.351 ( -4.497 2.459 -5.437) 7.472 2.410 ( 5.545 -1.114 -7.778) 9.617 2.684 ( -1.800 5.846 5.440) 8.186 2.699 ( 0.603 4.673 5.796) 7.470 2.814 ( 0.015 0.604 4.552) 4.592 2.831 ( -0.089 1.069 3.436) 3.599 2.942 ( 4.603 0.108 -0.727) 4.661 2.967 ( -1.961 0.258 -2.537) 3.217 3.145 ( -2.143 -3.263 -0.437) 3.929 3.186 ( 4.154 -4.488 -3.406) 7.000 3.384 ( 0.775 -7.323 0.330) 7.371 3.445 ( -1.891 -7.157 1.944) 7.654 3.549 ( 1.282 -9.046 -2.186) 9.394 3.586 ( -1.810 -8.326 -2.025) 8.757 4.293 ( 10.837 -2.356 -1.379) 11.176 4.330 ( -13.277 -2.912 -3.030) 13.926 4.616 ( 0.340 5.206 0.393) 5.232 4.647 ( -0.083 3.621 -0.206) 3.628 5.080 ( 1.298 1.711 -0.674) 2.251 5.088 ( 2.591 2.294 -0.621) 3.516 5.382 ( -1.284 6.717 4.080) 7.963 5.540 ( 0.219 4.481 -1.002) 4.597 5.599 ( -1.080 -2.390 1.751) 3.153 5.667 ( 1.170 -1.793 -1.156) 2.433 5.939 ( -1.300 3.163 -0.890) 3.534 5.966 ( -1.790 2.591 -0.850) 3.262 6.971 ( 3.455 8.332 3.965) 9.853 7.157 ( -3.343 4.384 -2.421) 6.022 7.410 ( 1.866 7.428 -2.693) 8.119 7.533 ( -2.260 11.598 -4.780) 12.747 7.756 ( 0.270 1.487 -0.233) 1.529 7.806 ( 2.930 -7.131 -3.381) 8.418 8.386 ( -2.799 7.214 7.464) 10.751 8.570 ( 2.626 2.160 0.859) 3.507 8.963 ( -0.819 -2.172 3.357) 4.081 9.064 ( -3.822 -3.778 0.618) 5.410 9.433 ( 1.481 -0.322 3.042) 3.399 9.472 ( 4.457 -1.877 2.962) 5.671 9.680 ( 3.078 5.177 -5.804) 8.364 9.747 ( -4.681 1.988 -5.894) 7.785 10.093 ( -3.449 -5.168 -0.938) 6.283 10.126 ( 2.578 -6.019 -1.864) 6.808 11.985 ( 0.498 2.044 2.462) 3.238 12.054 ( -1.974 0.035 -0.194) 1.984 12.166 ( 0.001 -0.628 3.350) 3.408 12.218 ( 1.526 -1.988 1.427) 2.884 15.753 ( -3.539 6.459 6.167) 9.606 15.761 ( -3.091 3.420 7.330) 8.659 15.859 ( 2.148 10.807 -0.609) 11.035 15.955 ( 1.598 4.320 -1.387) 4.810 16.225 ( 0.194 1.521 1.193) 1.943 16.332 ( -3.170 -5.623 2.589) 6.955 16.453 ( 0.958 0.220 -7.607) 7.670 16.505 ( 4.120 -4.074 -5.678) 8.113 19.247 ( 0.869 -0.806 1.072) 1.598 19.270 ( -0.170 -1.677 0.223) 1.700 20.106 ( 0.528 1.265 -0.580) 1.489 20.115 ( -0.857 0.945 -0.956) 1.594 ======================= Grid point 229 (117/160) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -2.643 2.550 -2.811) 4.625 2.068 ( 10.898 -6.280 0.052) 12.578 2.207 ( -5.723 6.271 -4.040) 9.402 2.416 ( 4.529 -5.079 -4.563) 8.193 2.619 ( -6.253 1.989 4.589) 8.007 2.701 ( -7.190 -1.964 4.164) 8.538 2.784 ( -1.093 -1.267 0.942) 1.920 2.929 ( -0.689 -3.333 -4.923) 5.985 3.001 ( 9.827 4.329 -0.769) 10.766 3.066 ( -3.098 2.004 -0.650) 3.746 3.104 ( 11.420 2.051 1.440) 11.692 3.268 ( 7.777 -1.181 -2.144) 8.153 3.321 ( -0.660 0.180 0.732) 1.001 3.508 ( -1.455 -6.281 -0.633) 6.479 3.537 ( -0.005 -6.374 0.520) 6.395 3.715 ( 17.061 -15.277 -1.316) 22.939 4.048 ( -13.450 8.485 -1.989) 16.027 4.514 ( 9.215 -11.481 3.009) 15.026 4.607 ( -0.338 2.496 2.613) 3.630 4.652 ( 0.685 2.823 -0.022) 2.905 5.006 ( -5.231 6.104 -3.471) 8.756 5.112 ( 0.192 0.906 -4.156) 4.258 5.389 ( -2.081 5.094 2.678) 6.120 5.508 ( 2.962 1.550 -0.332) 3.360 5.628 ( -2.475 -0.101 1.667) 2.986 5.671 ( -1.120 -2.061 0.221) 2.356 5.918 ( -1.341 2.951 -0.118) 3.244 5.937 ( -0.034 2.708 1.159) 2.946 6.987 ( -9.152 6.323 -4.139) 11.869 7.085 ( 2.310 1.936 5.033) 5.866 7.433 ( -1.156 9.833 -4.046) 10.696 7.481 ( 4.148 13.140 1.765) 13.892 7.684 ( -5.812 -2.208 -2.077) 6.555 7.833 ( 2.974 -5.441 -2.361) 6.635 8.400 ( -4.153 5.604 3.725) 7.907 8.595 ( -2.067 -0.597 0.594) 2.232 8.898 ( -1.237 5.660 -0.262) 5.799 9.151 ( 2.847 -2.460 5.015) 6.269 9.461 ( -0.999 -4.899 -3.058) 5.861 9.481 ( -4.867 -4.375 -0.731) 6.585 9.638 ( 3.375 6.941 -3.830) 8.616 9.737 ( 6.497 5.457 1.250) 8.576 10.073 ( 2.340 -4.308 0.108) 4.903 10.198 ( 6.485 -8.109 -0.592) 10.400 11.897 ( -9.832 3.243 0.142) 10.354 12.037 ( -4.953 -2.843 1.859) 6.006 12.173 ( -0.939 0.495 0.701) 1.272 12.229 ( -1.486 -1.162 0.237) 1.901 15.766 ( -1.545 8.011 4.126) 9.142 15.805 ( -1.061 3.095 6.829) 7.572 15.918 ( 2.882 4.785 -0.920) 5.661 15.981 ( 3.386 1.814 -1.339) 4.068 16.252 ( 0.132 4.621 4.542) 6.481 16.265 ( -5.573 -2.451 0.988) 6.168 16.375 ( -0.441 1.415 -6.649) 6.813 16.494 ( 2.193 -5.552 -5.883) 8.381 19.258 ( -0.305 -1.122 -0.391) 1.227 19.279 ( 0.738 -2.149 0.478) 2.322 20.089 ( -0.878 1.523 -0.540) 1.839 20.114 ( 0.613 0.756 0.003) 0.973 ======================= Grid point 230 (118/160) ======================= q-point: (-0.30 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -0.830 12.213 3.279) 12.672 2.071 ( -7.233 13.126 0.984) 15.019 2.288 ( 11.955 -7.844 1.448) 14.371 2.471 ( 4.293 -7.165 0.792) 8.390 2.591 ( 0.114 -2.275 0.421) 2.316 2.654 ( -1.545 -5.243 -3.342) 6.407 2.783 ( -0.274 -5.452 -1.325) 5.618 2.820 ( -4.647 -7.519 3.392) 9.468 2.969 ( 0.953 7.482 -11.188) 13.493 3.167 ( 2.325 4.357 6.094) 7.844 3.308 ( 8.227 2.483 -3.510) 9.283 3.347 ( 3.891 -1.093 0.708) 4.104 3.402 ( 6.908 3.806 0.513) 7.904 3.483 ( 0.565 -4.187 1.878) 4.623 3.532 ( 1.431 -6.882 -0.177) 7.032 3.822 ( -3.410 15.467 -0.481) 15.845 4.079 ( 15.012 -11.975 3.712) 19.559 4.523 ( -1.738 -2.256 -0.196) 2.855 4.689 ( 2.107 4.127 2.123) 5.097 4.777 ( 5.587 -10.426 4.274) 12.577 4.867 ( -3.502 4.726 -3.814) 7.010 5.019 ( -3.262 1.004 -2.765) 4.393 5.394 ( -2.329 5.748 2.325) 6.623 5.560 ( 0.499 2.087 -4.888) 5.339 5.583 ( -0.797 -4.169 2.371) 4.862 5.622 ( -2.683 -0.564 -0.754) 2.843 5.917 ( 0.238 2.166 1.207) 2.491 5.971 ( 1.034 0.176 2.674) 2.873 6.776 ( -10.676 10.878 -2.061) 15.381 7.125 ( -3.525 -2.186 0.629) 4.195 7.380 ( 0.499 9.159 -3.965) 9.993 7.536 ( -6.821 1.042 -0.070) 6.901 7.591 ( 2.533 9.054 3.298) 9.964 7.856 ( 1.843 -5.227 -0.471) 5.562 8.345 ( -4.580 1.934 1.086) 5.088 8.505 ( -7.913 -4.996 1.366) 9.457 8.977 ( 10.336 14.236 -2.088) 17.716 9.153 ( -8.264 1.217 3.252) 8.963 9.316 ( -5.850 -4.624 -2.532) 7.875 9.525 ( 9.440 -9.306 -2.901) 13.569 9.691 ( 4.731 10.046 -0.677) 11.125 9.885 ( 6.736 6.805 2.602) 9.922 10.159 ( 7.002 -5.751 -0.849) 9.101 10.321 ( 6.804 -9.674 2.123) 12.016 11.697 ( -13.283 4.351 0.378) 13.982 11.884 ( -14.125 -4.672 0.952) 14.908 12.163 ( -0.793 -0.222 -0.937) 1.248 12.172 ( -3.801 0.092 -1.833) 4.221 15.779 ( -2.512 6.606 0.937) 7.130 15.855 ( -3.099 0.129 3.761) 4.875 15.919 ( 0.441 -1.130 1.133) 1.660 16.020 ( 1.569 -1.133 -2.195) 2.926 16.232 ( 0.177 3.227 1.116) 3.419 16.291 ( 1.325 4.038 -2.971) 5.186 16.309 ( -1.295 1.633 1.383) 2.501 16.485 ( 5.833 -3.173 -2.331) 7.037 19.234 ( -1.410 -0.387 -1.499) 2.094 19.283 ( -0.725 -1.982 -0.314) 2.134 20.079 ( -0.087 1.583 0.467) 1.653 20.128 ( 0.655 0.059 0.614) 0.900 ======================= Grid point 231 (119/160) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -1.069 17.051 6.244) 18.190 2.005 ( -5.126 18.173 6.027) 19.821 2.461 ( 5.831 -9.448 -0.761) 11.128 2.521 ( 0.074 -1.879 -3.648) 4.104 2.594 ( 2.053 -3.367 -4.230) 5.783 2.631 ( 5.876 -7.215 -0.703) 9.332 2.729 ( -0.444 -6.011 -2.998) 6.732 2.832 ( -1.071 -5.055 -0.764) 5.223 2.898 ( 0.474 -0.154 1.774) 1.843 3.159 ( -1.040 -5.456 -5.371) 7.726 3.281 ( 0.003 3.201 -4.501) 5.524 3.466 ( -1.626 -4.761 4.724) 6.901 3.478 ( 1.494 5.536 5.064) 7.650 3.597 ( 7.593 9.072 2.231) 12.038 3.678 ( 9.481 0.498 7.072) 11.838 3.831 ( 1.321 16.363 6.173) 17.539 4.314 ( 5.793 -3.948 3.628) 7.893 4.566 ( 6.554 -8.146 -1.480) 10.560 4.693 ( -6.082 6.073 4.405) 9.658 4.802 ( 3.117 -0.073 -4.776) 5.703 4.915 ( 8.473 -7.220 2.838) 11.488 5.018 ( 1.954 0.168 1.736) 2.619 5.311 ( -6.644 7.300 -3.360) 10.427 5.497 ( -0.793 -3.237 -3.425) 4.779 5.533 ( -5.647 -0.764 0.138) 5.701 5.621 ( -0.416 -3.616 0.921) 3.754 5.926 ( 0.774 3.104 -1.678) 3.613 6.052 ( 6.026 -2.955 1.285) 6.834 6.583 ( -10.866 9.128 1.226) 14.244 6.945 ( -13.213 -5.782 -5.569) 15.461 7.321 ( -1.965 9.395 -3.176) 10.110 7.490 ( 1.680 3.769 -1.592) 4.423 7.651 ( -1.311 8.566 4.783) 9.898 7.851 ( -2.619 -4.209 -1.127) 5.084 8.291 ( -3.337 -0.403 0.674) 3.429 8.445 ( -2.837 -5.927 7.377) 9.879 9.032 ( -6.306 3.152 1.055) 7.128 9.154 ( 13.030 16.001 -5.039) 21.241 9.220 ( -3.391 -5.102 0.459) 6.144 9.661 ( 7.865 -1.058 -1.129) 8.016 9.783 ( 5.880 0.370 1.456) 6.069 10.010 ( 5.344 8.216 -0.517) 9.815 10.250 ( 6.598 -7.386 -3.646) 10.554 10.480 ( 7.419 -8.890 2.800) 11.913 11.476 ( -14.158 4.258 3.409) 15.173 11.615 ( -18.194 -2.938 2.773) 18.637 12.060 ( -4.292 1.278 -4.301) 6.209 12.119 ( -1.851 -1.978 -3.026) 4.061 15.699 ( -5.546 0.017 -0.548) 5.573 15.748 ( -8.644 -3.497 -0.946) 9.372 15.960 ( 0.373 -0.198 -8.025) 8.036 15.990 ( 0.674 -0.360 0.328) 0.832 16.177 ( -2.119 2.084 -0.211) 2.979 16.326 ( -1.491 -3.107 7.958) 8.673 16.429 ( 12.729 7.749 -0.824) 14.926 16.629 ( 9.065 -0.168 1.624) 9.211 19.167 ( -3.191 0.778 -2.770) 4.297 19.240 ( -2.688 -1.350 -2.023) 3.624 20.101 ( 0.991 1.074 1.895) 2.393 20.153 ( 0.783 -0.409 1.555) 1.789 ======================= Grid point 232 (120/160) ======================= q-point: (-0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -1.871 16.177 6.899) 17.686 1.998 ( -4.491 17.486 4.090) 18.511 2.399 ( -2.328 -4.245 -6.614) 8.197 2.493 ( 2.042 0.044 -8.247) 8.496 2.592 ( 3.649 -2.601 -2.314) 5.043 2.681 ( 0.633 -5.835 -4.960) 7.684 2.782 ( 7.151 -8.809 1.966) 11.515 2.847 ( 1.521 -4.412 2.775) 5.430 2.929 ( -4.936 -4.348 7.818) 10.218 3.034 ( 1.182 -8.586 -12.660) 15.343 3.301 ( 4.157 -0.897 -0.373) 4.269 3.420 ( -1.735 -4.764 -3.520) 6.172 3.558 ( -2.210 20.195 11.417) 23.304 3.809 ( 3.790 2.264 15.466) 16.083 3.937 ( 8.147 8.259 10.275) 15.497 4.007 ( 4.826 9.058 11.800) 15.639 4.432 ( 1.252 -0.422 6.170) 6.310 4.600 ( 2.797 2.790 -2.856) 4.874 4.638 ( -3.208 4.733 0.567) 5.746 4.892 ( 7.753 -4.287 -2.708) 9.264 4.975 ( -3.171 -1.371 0.110) 3.457 5.100 ( -4.474 9.845 -9.006) 14.073 5.185 ( 8.670 -6.825 -0.512) 11.046 5.384 ( -9.445 -0.587 2.074) 9.688 5.468 ( -0.408 -7.129 -2.621) 7.607 5.598 ( -2.830 -7.585 -0.797) 8.135 5.926 ( 4.633 7.338 -3.462) 9.343 6.214 ( 12.716 -5.763 -1.017) 13.998 6.436 ( -10.017 2.898 3.528) 11.009 6.598 ( -16.577 -3.188 -7.139) 18.328 7.262 ( -0.488 10.329 -2.660) 10.677 7.483 ( 1.685 1.766 -5.551) 6.063 7.654 ( -4.537 3.917 3.345) 6.864 7.760 ( -3.635 -6.064 -2.385) 7.462 8.283 ( -1.260 4.752 5.952) 7.719 8.543 ( 0.058 -4.355 9.252) 10.225 8.967 ( -2.606 4.917 0.959) 5.647 9.201 ( -0.791 -3.854 3.134) 5.030 9.293 ( 11.563 18.056 -9.213) 23.337 9.772 ( 3.537 0.912 4.073) 5.471 9.919 ( 6.290 -7.880 2.900) 10.491 9.995 ( -0.801 4.167 -8.940) 9.896 10.323 ( 5.878 -3.821 -2.776) 7.540 10.586 ( 3.618 -9.066 -3.425) 10.344 11.333 ( -10.139 4.059 9.443) 14.437 11.409 ( -12.078 0.149 9.523) 15.382 11.935 ( -2.187 2.078 -6.620) 7.275 12.029 ( -2.121 -2.456 -5.944) 6.772 15.601 ( -5.472 -4.108 -0.725) 6.881 15.610 ( -4.271 -4.146 -0.612) 5.984 15.840 ( -1.348 -0.103 -8.251) 8.361 15.898 ( -3.862 -2.800 -6.833) 8.333 16.261 ( 3.557 4.402 6.956) 8.968 16.405 ( -0.464 -1.731 6.680) 6.916 16.634 ( 10.945 5.248 -0.299) 12.142 16.781 ( 5.135 -0.362 1.353) 5.322 19.076 ( -2.333 1.573 -3.452) 4.453 19.152 ( -3.216 -0.985 -3.422) 4.798 20.149 ( 1.041 0.458 2.731) 2.958 20.188 ( 0.496 -0.557 2.140) 2.266 ======================= Grid point 233 (121/160) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -2.378 -5.308 -2.942) 6.518 2.129 ( -2.378 5.308 -2.942) 6.518 2.314 ( 1.001 -8.253 -4.076) 9.259 2.314 ( 1.001 8.253 -4.076) 9.259 2.606 ( 0.691 -3.889 -3.843) 5.511 2.606 ( 0.691 3.889 -3.843) 5.511 2.746 ( 2.336 -3.208 -1.416) 4.213 2.746 ( 2.336 3.208 -1.416) 4.213 2.915 ( -2.596 -3.183 5.944) 7.225 2.915 ( -2.596 3.183 5.944) 7.225 3.312 ( 2.298 -1.671 -4.868) 5.637 3.312 ( 2.298 1.671 -4.868) 5.637 4.056 ( 0.725 -2.352 18.991) 19.150 4.056 ( 0.725 2.352 18.991) 19.150 4.402 ( 5.431 -4.299 9.754) 11.963 4.402 ( 5.431 4.299 9.754) 11.963 4.460 ( -5.442 -13.747 12.026) 19.058 4.460 ( -5.442 13.747 12.026) 19.058 4.845 ( -2.771 -4.695 -4.459) 7.043 4.845 ( -2.771 4.695 -4.459) 7.043 4.950 ( -1.442 -10.414 -7.322) 12.812 4.950 ( -1.442 10.414 -7.322) 12.812 5.132 ( 0.124 -11.434 -10.253) 15.358 5.132 ( 0.124 11.434 -10.253) 15.358 5.401 ( 1.500 -3.802 -0.722) 4.151 5.401 ( 1.500 3.802 -0.722) 4.151 6.209 ( -3.496 -4.405 -1.393) 5.794 6.209 ( -3.496 4.405 -1.393) 5.794 6.323 ( 4.997 -3.419 -1.332) 6.199 6.323 ( 4.997 3.419 -1.332) 6.199 7.394 ( -0.138 -4.316 -4.849) 6.493 7.394 ( -0.138 4.316 -4.849) 6.493 7.605 ( -0.442 -2.181 -0.470) 2.274 7.605 ( -0.442 2.181 -0.470) 2.274 8.539 ( -1.366 -5.997 9.335) 11.179 8.539 ( -1.366 5.997 9.335) 11.179 9.149 ( 1.120 -8.735 6.220) 10.782 9.149 ( 1.120 8.735 6.220) 10.782 9.646 ( 1.858 -14.352 -13.601) 19.860 9.646 ( 1.858 14.352 -13.601) 19.860 9.919 ( -1.101 -5.640 6.436) 8.628 9.919 ( -1.101 5.640 6.436) 8.628 10.360 ( -0.928 -6.445 -6.294) 9.056 10.360 ( -0.928 6.445 -6.294) 9.056 11.441 ( -0.427 -1.741 12.008) 12.142 11.441 ( -0.427 1.741 12.009) 12.142 11.879 ( 0.715 -1.973 -8.261) 8.524 11.879 ( 0.715 1.973 -8.261) 8.524 15.494 ( -0.287 -0.166 -0.312) 0.455 15.494 ( -0.287 0.166 -0.312) 0.455 15.744 ( -1.635 -0.755 -5.137) 5.444 15.744 ( -1.635 0.755 -5.137) 5.444 16.438 ( 0.990 -1.817 4.701) 5.137 16.438 ( 0.990 1.817 4.701) 5.137 16.816 ( 0.621 -0.636 0.273) 0.930 16.816 ( 0.621 0.636 0.273) 0.930 19.050 ( 0.192 -1.084 -3.232) 3.415 19.050 ( 0.192 1.084 -3.232) 3.415 20.202 ( -0.079 -0.664 2.143) 2.245 20.202 ( -0.079 0.664 2.143) 2.245 ======================= Grid point 235 (122/160) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 1.929 -3.001 2.444) 4.324 2.116 ( 1.929 3.001 2.444) 4.324 2.298 ( 3.352 -6.210 -4.540) 8.391 2.298 ( 3.352 6.210 -4.540) 8.391 2.568 ( -1.530 -2.218 -1.126) 2.920 2.568 ( -1.530 2.218 -1.126) 2.920 2.694 ( -3.310 -2.829 -3.615) 5.659 2.694 ( -3.310 2.829 -3.615) 5.659 3.005 ( 1.873 -3.956 7.642) 8.807 3.005 ( 1.873 3.956 7.642) 8.807 3.267 ( 0.033 -2.539 -6.650) 7.118 3.267 ( 0.033 2.539 -6.650) 7.118 4.146 ( -11.077 -4.069 8.076) 14.300 4.146 ( -11.077 4.069 8.076) 14.300 4.333 ( -13.148 -5.923 3.327) 14.800 4.333 ( -13.148 5.923 3.327) 14.800 4.638 ( -7.141 -6.225 -2.835) 9.889 4.638 ( -7.141 6.225 -2.835) 9.889 4.731 ( 1.431 -14.312 13.078) 19.440 4.731 ( 1.431 14.312 13.078) 19.440 4.925 ( 7.701 -8.670 0.213) 11.598 4.925 ( 7.701 8.670 0.213) 11.598 5.093 ( 7.057 -12.978 -11.243) 18.564 5.093 ( 7.057 12.978 -11.243) 18.564 5.433 ( 3.738 -1.658 -1.380) 4.315 5.433 ( 3.738 1.658 -1.380) 4.315 6.026 ( -9.664 -4.059 -0.215) 10.484 6.026 ( -9.664 4.059 -0.215) 10.484 6.541 ( 15.693 -6.896 -1.990) 17.257 6.541 ( 15.693 6.896 -1.990) 17.257 7.348 ( 0.497 -2.562 -1.857) 3.203 7.348 ( 0.497 2.562 -1.857) 3.203 7.655 ( 5.383 -2.930 0.295) 6.135 7.655 ( 5.383 2.930 0.295) 6.135 8.596 ( -2.531 -3.272 5.369) 6.778 8.596 ( -2.531 3.272 5.369) 6.778 9.234 ( -1.932 -11.555 6.629) 13.461 9.234 ( -1.932 11.555 6.629) 13.461 9.449 ( -3.640 -13.129 -12.181) 18.276 9.449 ( -3.640 13.129 -12.181) 18.276 9.989 ( -0.794 -8.480 5.028) 9.891 9.989 ( -0.794 8.480 5.028) 9.891 10.254 ( -3.088 -7.033 -3.386) 8.395 10.254 ( -3.088 7.033 -3.386) 8.395 11.618 ( 4.457 -2.467 9.412) 10.702 11.618 ( 4.457 2.467 9.412) 10.702 11.819 ( 4.719 -1.621 -8.569) 9.915 11.819 ( 4.719 1.621 -8.569) 9.915 15.544 ( 5.963 -1.773 -0.026) 6.221 15.544 ( 5.963 1.773 -0.026) 6.221 15.685 ( -0.875 -1.752 -0.678) 2.072 15.685 ( -0.875 1.752 -0.678) 2.072 16.488 ( 0.550 -2.923 1.195) 3.205 16.488 ( 0.550 2.923 1.195) 3.205 16.755 ( -7.120 -4.571 -0.462) 8.473 16.755 ( -7.120 4.571 -0.462) 8.473 19.056 ( 3.659 -1.072 -1.602) 4.136 19.056 ( 3.659 1.072 -1.602) 4.136 20.213 ( -0.913 -0.394 1.056) 1.450 20.213 ( -0.913 0.394 1.056) 1.450 ======================= Grid point 237 (123/160) ======================= q-point: ( 0.20 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 4.680 -2.000 5.872) 7.771 2.236 ( 4.680 2.000 5.872) 7.771 2.323 ( 4.653 -2.527 -3.222) 6.198 2.323 ( 4.653 2.527 -3.222) 6.198 2.528 ( -1.555 -2.927 -0.823) 3.415 2.528 ( -1.555 2.927 -0.823) 3.415 2.591 ( -4.825 -2.669 -0.044) 5.514 2.591 ( -4.825 2.669 -0.044) 5.514 3.081 ( -0.030 -8.369 -3.390) 9.030 3.081 ( -0.030 8.369 -3.390) 9.030 3.189 ( -1.717 -3.159 1.676) 3.967 3.189 ( -1.717 3.159 1.676) 3.967 3.947 ( -12.631 -9.796 -2.776) 16.223 3.947 ( -12.631 9.796 -2.776) 16.223 4.086 ( -16.520 -7.735 -0.981) 18.267 4.086 ( -16.520 7.735 -0.981) 18.267 4.524 ( -3.545 -7.671 -1.013) 8.511 4.524 ( -3.545 7.671 -1.013) 8.511 4.796 ( -3.320 -7.533 3.326) 8.878 4.796 ( -3.320 7.533 3.326) 8.878 5.051 ( 2.885 -10.851 -6.860) 13.158 5.051 ( 2.885 10.851 -6.860) 13.158 5.130 ( 4.964 -6.421 5.039) 9.553 5.130 ( 4.964 6.421 5.039) 9.553 5.547 ( 9.337 -1.709 1.797) 9.660 5.547 ( 9.337 1.709 1.797) 9.660 5.921 ( -2.880 -4.643 0.921) 5.541 5.921 ( -2.880 4.643 0.921) 5.541 6.773 ( 13.966 -4.576 -1.837) 14.811 6.773 ( 13.966 4.576 -1.837) 14.811 7.376 ( 3.635 -3.185 0.033) 4.833 7.376 ( 3.635 3.185 0.033) 4.833 7.771 ( 6.236 -2.245 1.384) 6.771 7.771 ( 6.236 2.245 1.384) 6.771 8.565 ( -5.211 -1.842 -0.203) 5.531 8.565 ( -5.211 1.842 -0.203) 5.531 9.170 ( -5.636 -7.797 -2.479) 9.935 9.170 ( -5.636 7.797 -2.479) 9.935 9.344 ( -1.989 -12.613 0.800) 12.794 9.344 ( -1.989 12.613 0.800) 12.794 9.977 ( -2.408 -4.022 -1.625) 4.962 9.977 ( -2.408 4.022 -1.625) 4.962 10.208 ( -2.667 -2.762 2.963) 4.850 10.208 ( -2.667 2.762 2.963) 4.850 11.761 ( 6.103 -1.329 -1.574) 6.441 11.761 ( 6.103 1.329 -1.574) 6.441 11.874 ( 6.992 -2.538 1.347) 7.560 11.874 ( 6.992 2.538 1.347) 7.560 15.647 ( 1.741 -4.199 2.807) 5.342 15.647 ( 1.741 4.199 2.807) 5.342 15.736 ( 8.199 -5.128 1.266) 9.753 15.736 ( 8.199 5.128 1.266) 9.753 16.456 ( -5.523 -6.074 -1.787) 8.402 16.456 ( -5.523 6.074 -1.787) 8.402 16.615 ( -5.219 -8.309 -1.606) 9.943 16.615 ( -5.219 8.309 -1.606) 9.943 19.122 ( 4.446 -1.651 0.207) 4.747 19.122 ( 4.446 1.651 0.207) 4.747 20.197 ( -1.429 -0.676 -0.263) 1.603 20.197 ( -1.429 0.676 -0.263) 1.603 ======================= Grid point 239 (124/160) ======================= q-point: ( 0.30 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -2.755 -1.959 -7.165) 7.922 2.290 ( -2.755 1.959 -7.165) 7.922 2.381 ( 4.828 -3.690 4.185) 7.379 2.381 ( 4.828 3.690 4.185) 7.379 2.491 ( 1.240 -4.440 -2.792) 5.389 2.491 ( 1.240 4.440 -2.792) 5.389 2.635 ( 2.733 -2.516 10.003) 10.670 2.635 ( 2.733 2.516 10.003) 10.670 2.974 ( -0.951 -8.736 -7.534) 11.575 2.974 ( -0.951 8.736 -7.534) 11.575 3.216 ( -3.320 -4.459 5.568) 7.868 3.216 ( -3.320 4.459 5.568) 7.868 3.687 ( -13.333 -8.319 -3.887) 16.189 3.687 ( -13.333 8.319 -3.887) 16.189 3.773 ( -15.548 -9.023 -2.779) 18.190 3.773 ( -15.548 9.023 -2.779) 18.190 4.461 ( -1.056 -8.565 -4.456) 9.713 4.461 ( -1.056 8.565 -4.456) 9.713 4.745 ( -1.214 -6.148 -2.473) 6.737 4.745 ( -1.214 6.148 -2.473) 6.737 5.025 ( 1.351 -6.553 -2.773) 7.243 5.025 ( 1.351 6.553 -2.773) 7.243 5.266 ( 2.058 -1.529 8.905) 9.266 5.266 ( 2.058 1.529 8.905) 9.266 5.681 ( 5.374 -0.485 -3.433) 6.395 5.681 ( 5.374 0.485 -3.433) 6.395 5.948 ( 2.005 -2.404 3.095) 4.402 5.948 ( 2.005 2.404 3.095) 4.402 6.979 ( 11.743 -7.559 -0.824) 13.990 6.979 ( 11.743 7.559 -0.824) 13.990 7.448 ( 4.213 -4.080 -0.274) 5.871 7.448 ( 4.213 4.080 -0.274) 5.871 7.859 ( 1.826 -1.336 -0.435) 2.304 7.859 ( 1.826 1.336 -0.435) 2.304 8.452 ( -4.191 -2.812 -0.863) 5.120 8.452 ( -4.191 2.812 -0.863) 5.120 9.088 ( -4.996 -3.771 3.010) 6.946 9.088 ( -4.996 3.771 3.010) 6.946 9.320 ( 0.388 -6.378 -1.813) 6.642 9.320 ( 0.388 6.378 -1.813) 6.642 9.912 ( -1.749 -8.027 -2.360) 8.548 9.912 ( -1.749 8.027 -2.360) 8.548 10.182 ( -4.307 -6.176 1.438) 7.666 10.182 ( -4.307 6.176 1.438) 7.666 11.851 ( 7.677 -2.686 -1.985) 8.372 11.851 ( 7.677 2.686 -1.985) 8.372 12.018 ( 4.976 -1.456 3.839) 6.451 12.018 ( 4.976 1.456 3.839) 6.451 15.704 ( -0.764 -1.873 6.312) 6.628 15.704 ( -0.764 1.873 6.312) 6.628 15.927 ( 10.590 -4.334 0.475) 11.452 15.927 ( 10.590 4.334 0.475) 11.452 16.286 ( -9.069 -5.250 -1.491) 10.584 16.286 ( -9.069 5.250 -1.491) 10.584 16.547 ( -0.217 -4.123 -4.032) 5.771 16.547 ( -0.217 4.123 -4.032) 5.771 19.194 ( 2.734 -1.564 0.971) 3.296 19.194 ( 2.734 1.564 0.971) 3.296 20.164 ( -1.183 -0.923 -1.084) 1.851 20.164 ( -1.183 0.923 -1.084) 1.851 ======================= Grid point 241 (125/160) ======================= q-point: ( 0.40 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -5.755 -3.765 -8.940) 11.279 2.102 ( -5.755 3.765 -8.940) 11.279 2.446 ( 0.705 -2.556 -3.685) 4.539 2.446 ( 0.705 2.556 -3.685) 4.539 2.582 ( 10.276 -4.131 1.968) 11.248 2.582 ( 10.276 4.131 1.968) 11.248 2.814 ( 1.922 -3.923 9.045) 10.044 2.814 ( 1.922 3.923 9.045) 10.044 2.919 ( 2.496 -9.267 -2.612) 9.946 2.919 ( 2.496 9.267 -2.612) 9.946 3.165 ( -8.910 -5.567 2.510) 10.802 3.165 ( -8.910 5.567 2.510) 10.802 3.430 ( -9.975 -4.966 -1.765) 11.282 3.430 ( -9.975 4.966 -1.765) 11.282 3.540 ( -7.847 -5.350 -1.380) 9.597 3.540 ( -7.847 5.350 -1.380) 9.597 4.373 ( -1.113 -7.680 -6.681) 10.240 4.373 ( -1.113 7.680 -6.681) 10.240 4.709 ( 0.168 -2.363 -2.363) 3.346 4.709 ( 0.168 2.363 -2.363) 3.346 5.046 ( 2.498 -2.890 0.669) 3.878 5.046 ( 2.498 2.890 0.669) 3.878 5.413 ( 1.664 -2.183 9.553) 9.939 5.413 ( 1.664 2.183 9.553) 9.939 5.673 ( 1.870 -0.865 -6.811) 7.116 5.673 ( 1.870 0.865 -6.811) 7.116 5.996 ( 0.136 -0.747 0.747) 1.065 5.996 ( 0.136 0.747 0.747) 1.065 7.123 ( 5.493 -9.302 -1.825) 10.956 7.123 ( 5.493 9.302 -1.825) 10.956 7.510 ( 4.020 -6.060 -0.028) 7.272 7.510 ( 4.020 6.060 -0.028) 7.272 7.822 ( -1.519 -0.926 -3.828) 4.221 7.822 ( -1.519 0.926 -3.828) 4.221 8.455 ( 0.148 -3.707 5.432) 6.579 8.455 ( 0.148 3.707 5.432) 6.579 9.030 ( -5.653 -7.369 2.421) 9.598 9.030 ( -5.653 7.369 2.421) 9.598 9.347 ( 4.771 -0.631 -0.902) 4.896 9.347 ( 4.771 0.631 -0.902) 4.896 9.856 ( -1.558 -7.140 -2.982) 7.893 9.856 ( -1.558 7.140 -2.982) 7.893 10.098 ( -4.485 -4.835 -1.700) 6.811 10.098 ( -4.485 4.835 -1.700) 6.811 11.966 ( 5.413 -3.629 1.182) 6.623 11.966 ( 5.413 3.629 1.182) 6.623 12.123 ( 2.460 -0.687 2.875) 3.845 12.123 ( 2.460 0.687 2.875) 3.845 15.769 ( -1.937 -1.290 7.753) 8.095 15.769 ( -1.937 1.290 7.753) 8.095 16.019 ( 0.767 -0.662 -3.641) 3.779 16.019 ( 0.767 0.662 -3.641) 3.779 16.214 ( 1.090 -2.861 2.990) 4.279 16.214 ( 1.090 2.861 2.990) 4.279 16.493 ( 0.814 -2.280 -5.599) 6.100 16.493 ( 0.814 2.280 -5.599) 6.100 19.233 ( 0.779 -1.245 0.576) 1.577 19.233 ( 0.779 1.245 0.576) 1.577 20.137 ( -0.453 -0.801 -1.009) 1.366 20.137 ( -0.453 0.801 -1.009) 1.366 ======================= Grid point 243 (126/160) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -0.718 -1.095 -6.880) 7.003 1.939 ( -0.718 1.095 -6.880) 7.003 2.378 ( 0.366 -1.130 -7.350) 7.445 2.378 ( 0.366 1.130 -7.350) 7.445 2.789 ( 2.671 -3.306 4.407) 6.123 2.789 ( 2.671 3.306 4.407) 6.123 2.832 ( -3.982 -3.812 1.260) 5.655 2.832 ( -3.982 3.812 1.260) 5.655 2.938 ( 1.585 -1.166 0.017) 1.968 2.938 ( 1.585 1.166 0.017) 1.968 3.114 ( 2.009 -1.311 2.482) 3.452 3.114 ( 2.009 1.311 2.482) 3.452 3.322 ( -0.845 -2.143 0.461) 2.349 3.322 ( -0.845 2.143 0.461) 2.349 3.482 ( -0.467 -1.354 0.697) 1.593 3.482 ( -0.467 1.354 0.697) 1.593 4.278 ( -0.851 -1.161 -4.924) 5.130 4.278 ( -0.851 1.161 -4.924) 5.130 4.688 ( -0.425 -0.699 -1.129) 1.395 4.688 ( -0.425 0.699 -1.129) 1.395 5.105 ( 2.138 -0.489 1.174) 2.487 5.105 ( 2.138 0.489 1.174) 2.487 5.512 ( -0.909 -5.454 2.202) 5.951 5.512 ( -0.909 5.454 2.202) 5.951 5.618 ( 0.385 -2.974 -1.639) 3.417 5.618 ( 0.385 2.974 -1.639) 3.417 5.983 ( -1.300 -0.839 -0.397) 1.597 5.983 ( -1.300 0.839 -0.397) 1.597 7.122 ( -1.019 -5.548 -2.164) 6.042 7.122 ( -1.019 5.548 -2.164) 6.042 7.597 ( 4.277 -7.887 1.221) 9.055 7.597 ( 4.277 7.887 1.221) 9.055 7.743 ( -1.807 -2.928 -4.779) 5.889 7.743 ( -1.807 2.928 -4.779) 5.889 8.526 ( -1.987 -5.507 6.848) 9.010 8.526 ( -1.987 5.507 6.848) 9.010 8.987 ( 0.130 -3.402 -0.022) 3.405 8.987 ( 0.130 3.402 -0.022) 3.405 9.432 ( 2.712 -1.019 2.019) 3.531 9.432 ( 2.712 1.019 2.019) 3.531 9.773 ( -1.716 -1.801 -4.800) 5.407 9.773 ( -1.716 1.801 -4.800) 5.407 10.033 ( 0.042 -1.210 -1.695) 2.083 10.033 ( 0.042 1.210 -1.695) 2.083 12.031 ( -1.038 -2.007 2.109) 3.091 12.031 ( -1.038 2.007 2.109) 3.091 12.178 ( 1.055 -1.573 1.734) 2.568 12.178 ( 1.055 1.573 1.734) 2.568 15.814 ( -3.001 -0.783 6.926) 7.589 15.814 ( -3.001 0.783 6.926) 7.589 15.982 ( 0.560 -1.172 -1.997) 2.382 15.982 ( 0.560 1.172 -1.997) 2.382 16.272 ( 0.460 -1.559 1.925) 2.519 16.272 ( 0.460 1.559 1.925) 2.519 16.449 ( 1.649 -0.970 -5.458) 5.783 16.449 ( 1.649 0.970 -5.458) 5.783 19.243 ( 0.290 -0.594 -0.002) 0.661 19.243 ( 0.290 0.594 -0.002) 0.661 20.123 ( -0.177 -0.210 -0.552) 0.616 20.123 ( -0.177 0.210 -0.552) 0.616 ======================= Grid point 247 (127/160) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 6.763 -5.397 -1.983) 8.877 1.939 ( 6.763 5.397 -1.983) 8.877 2.316 ( 1.088 -4.365 -4.278) 6.208 2.316 ( 1.088 4.365 -4.278) 6.208 2.658 ( -9.786 -1.943 3.300) 10.509 2.658 ( -9.786 1.943 3.300) 10.509 2.822 ( -4.494 -4.580 -2.140) 6.764 2.822 ( -4.494 4.580 -2.140) 6.764 3.092 ( 10.949 -2.808 3.214) 11.752 3.092 ( 10.949 2.808 3.214) 11.752 3.181 ( 4.158 -5.712 -1.299) 7.184 3.181 ( 4.158 5.712 -1.299) 7.184 3.418 ( 5.815 -5.853 0.486) 8.265 3.418 ( 5.815 5.853 0.486) 8.265 3.470 ( 2.271 -3.870 -1.272) 4.664 3.470 ( 2.271 3.870 -1.272) 4.664 4.257 ( 1.881 -11.512 -0.265) 11.668 4.257 ( 1.881 11.512 -0.265) 11.668 4.669 ( -0.706 -1.770 0.605) 1.999 4.669 ( -0.706 1.770 0.605) 1.999 5.101 ( -2.468 -2.464 -2.828) 4.490 5.101 ( -2.468 2.464 -2.828) 4.490 5.480 ( -0.422 -3.415 -0.046) 3.442 5.480 ( -0.422 3.415 -0.046) 3.442 5.638 ( -1.207 -1.293 1.775) 2.506 5.638 ( -1.207 1.293 1.775) 2.506 5.956 ( -1.383 -0.627 0.455) 1.586 5.956 ( -1.383 0.627 0.455) 1.586 7.080 ( -2.542 -2.422 0.084) 3.512 7.080 ( -2.542 2.422 0.084) 3.512 7.602 ( -3.529 -5.818 -3.177) 7.509 7.602 ( -3.529 5.818 -3.177) 7.509 7.700 ( 2.081 -7.723 -0.030) 7.998 7.700 ( 2.081 7.723 -0.030) 7.998 8.516 ( -6.480 -5.221 3.232) 8.927 8.516 ( -6.480 5.221 3.232) 8.927 9.058 ( 7.096 -6.998 1.082) 10.025 9.058 ( 7.096 6.998 1.082) 10.025 9.407 ( -5.454 -0.880 -2.421) 6.031 9.407 ( -5.454 0.880 -2.421) 6.031 9.777 ( 6.240 -3.627 0.071) 7.218 9.777 ( 6.240 3.627 0.071) 7.218 10.051 ( 3.376 -4.100 -0.742) 5.363 10.051 ( 3.376 4.100 -0.742) 5.363 11.969 ( -8.234 -3.460 1.141) 9.004 11.969 ( -8.234 3.460 1.141) 9.004 12.199 ( -0.477 -1.577 0.457) 1.710 12.199 ( -0.477 1.577 0.457) 1.710 15.852 ( -0.927 -0.617 5.682) 5.790 15.852 ( -0.927 0.617 5.682) 5.790 15.965 ( -2.248 -3.322 -0.296) 4.022 15.965 ( -2.248 3.322 -0.296) 4.022 16.304 ( 2.592 -2.185 1.263) 3.618 16.304 ( 2.592 2.185 1.263) 3.618 16.395 ( -0.699 -1.993 -5.691) 6.070 16.395 ( -0.699 1.993 -5.691) 6.070 19.248 ( 0.393 -0.507 -0.176) 0.665 19.248 ( 0.393 0.507 -0.176) 0.665 20.115 ( -0.290 -0.687 -0.165) 0.764 20.115 ( -0.290 0.687 -0.165) 0.764 ======================= Grid point 249 (128/160) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 8.312 -11.132 1.816) 14.011 2.083 ( 8.312 11.132 1.816) 14.011 2.311 ( 0.626 -8.853 0.819) 8.913 2.311 ( 0.626 8.853 0.819) 8.913 2.585 ( -1.671 -1.528 0.253) 2.278 2.585 ( -1.671 1.528 0.253) 2.278 2.712 ( -5.241 -0.928 0.150) 5.324 2.712 ( -5.241 0.928 0.150) 5.324 3.157 ( 2.038 -8.592 -12.478) 15.286 3.157 ( 2.038 8.592 -12.478) 15.286 3.317 ( 3.549 -5.198 8.818) 10.834 3.317 ( 3.549 5.198 8.818) 10.834 3.401 ( 2.891 -4.554 -0.109) 5.395 3.401 ( 2.891 4.554 -0.109) 5.395 3.679 ( 14.989 -14.626 0.544) 20.949 3.679 ( 14.989 14.626 0.544) 20.949 4.293 ( -0.082 -17.893 2.637) 18.086 4.293 ( -0.082 17.893 2.637) 18.086 4.707 ( 3.221 -1.713 1.875) 4.102 4.707 ( 3.221 1.713 1.875) 4.102 4.985 ( -4.700 -4.284 -3.048) 7.052 4.985 ( -4.700 4.284 -3.048) 7.052 5.494 ( -1.355 -4.067 1.798) 4.648 5.494 ( -1.355 4.067 1.798) 4.648 5.599 ( -1.724 -1.559 -2.479) 3.398 5.599 ( -1.724 1.559 -2.479) 3.398 5.956 ( -0.471 -1.478 2.012) 2.541 5.956 ( -0.471 1.478 2.012) 2.541 6.994 ( -8.326 -9.137 -0.745) 12.384 6.994 ( -8.326 9.137 -0.745) 12.384 7.515 ( -1.202 -3.429 -2.996) 4.710 7.515 ( -1.202 3.429 -2.996) 4.710 7.749 ( 1.390 -5.571 2.855) 6.412 7.749 ( 1.390 5.571 2.855) 6.412 8.405 ( -8.095 -3.956 1.046) 9.070 8.405 ( -8.095 3.956 1.046) 9.070 9.185 ( -1.649 -1.802 3.078) 3.929 9.185 ( -1.649 1.802 3.078) 3.929 9.304 ( 5.966 -9.525 -5.032) 12.314 9.304 ( 5.966 9.525 -5.032) 12.314 9.907 ( 7.296 -8.164 -1.141) 11.008 9.907 ( 7.296 8.164 -1.141) 11.008 10.132 ( 5.453 -6.708 2.404) 8.973 10.132 ( 5.453 6.708 2.404) 8.973 11.790 ( -13.439 -4.410 0.748) 14.164 11.790 ( -13.439 4.410 0.748) 14.164 12.167 ( -2.485 -0.408 -1.476) 2.920 12.167 ( -2.485 0.408 -1.476) 2.920 15.850 ( -7.196 -1.115 0.422) 7.294 15.850 ( -7.196 1.115 0.422) 7.294 15.951 ( 1.209 -3.961 4.169) 5.877 15.951 ( 1.209 3.961 4.169) 5.877 16.291 ( -2.761 -1.917 -5.354) 6.322 16.291 ( -2.761 1.917 -5.354) 6.322 16.410 ( 7.780 -4.683 0.971) 9.132 16.410 ( 7.780 4.683 0.971) 9.132 19.243 ( -0.713 -1.401 -0.660) 1.705 19.243 ( -0.713 1.401 -0.660) 1.705 20.113 ( 0.009 -1.385 0.524) 1.481 20.113 ( 0.009 1.385 0.524) 1.481 ======================= Grid point 251 (129/160) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 3.029 -13.547 0.915) 13.912 2.205 ( 3.029 13.547 0.915) 13.912 2.360 ( 0.760 -14.465 4.076) 15.047 2.360 ( 0.760 14.465 4.076) 15.047 2.560 ( 2.682 -3.139 -5.499) 6.877 2.560 ( 2.682 3.139 -5.499) 6.877 2.689 ( -1.373 -3.939 4.480) 6.121 2.689 ( -1.373 3.939 4.480) 6.121 3.005 ( -0.625 -7.036 -11.080) 13.140 3.005 ( -0.625 7.036 -11.080) 13.140 3.354 ( -1.532 -4.307 0.927) 4.664 3.354 ( -1.532 4.307 0.927) 4.664 3.586 ( 6.892 -4.154 8.617) 11.790 3.586 ( 6.892 4.154 8.617) 11.790 3.925 ( 11.763 -14.602 1.041) 18.780 3.925 ( 11.763 14.602 1.041) 18.780 4.347 ( -0.333 -16.963 8.197) 18.842 4.347 ( -0.333 16.963 8.197) 18.842 4.775 ( 3.009 -6.378 -1.042) 7.128 4.775 ( 3.009 6.378 -1.042) 7.128 4.939 ( 2.513 -7.145 -0.044) 7.574 4.939 ( 2.513 7.145 -0.044) 7.574 5.428 ( -4.320 -3.842 -3.202) 6.609 5.428 ( -4.320 3.842 -3.202) 6.609 5.551 ( -3.261 -2.701 -0.192) 4.239 5.551 ( -3.261 2.701 -0.192) 4.239 5.988 ( 3.108 -2.966 -0.060) 4.296 5.988 ( 3.108 2.966 -0.060) 4.296 6.782 ( -13.281 -9.147 -2.289) 16.288 6.782 ( -13.281 9.147 -2.289) 16.288 7.473 ( 0.207 -4.611 -3.492) 5.788 7.473 ( 0.207 4.611 -3.492) 5.788 7.784 ( -2.581 -3.476 1.733) 4.664 7.784 ( -2.581 3.476 1.733) 4.664 8.330 ( -3.211 -4.265 5.525) 7.683 8.330 ( -3.211 4.265 5.525) 7.683 9.108 ( -4.459 -4.445 0.411) 6.310 9.108 ( -4.459 4.445 0.411) 6.310 9.466 ( 11.673 -12.859 -0.837) 17.387 9.466 ( 11.673 12.859 -0.837) 17.387 9.964 ( 3.748 -10.728 -4.806) 12.338 9.964 ( 3.748 10.728 -4.806) 12.338 10.284 ( 7.285 -9.148 2.588) 11.977 10.284 ( 7.285 9.148 2.588) 11.977 11.556 ( -15.298 -3.160 3.102) 15.926 11.556 ( -15.298 3.160 3.102) 15.926 12.085 ( -3.170 -1.282 -3.670) 5.016 12.085 ( -3.170 1.282 -3.670) 5.016 15.701 ( -9.560 -0.866 0.333) 9.605 15.701 ( -9.560 0.866 0.333) 9.605 15.973 ( 0.110 -1.011 -5.998) 6.083 15.973 ( 0.110 1.011 -5.998) 6.083 16.245 ( -0.429 -3.872 5.126) 6.438 16.245 ( -0.429 3.872 5.126) 6.438 16.574 ( 10.071 -5.077 -0.015) 11.278 16.574 ( 10.071 5.077 -0.015) 11.278 19.199 ( -2.568 -2.075 -2.034) 3.878 19.199 ( -2.568 2.075 -2.034) 3.878 20.131 ( 0.597 -1.495 1.674) 2.322 20.131 ( 0.597 1.495 1.674) 2.322 ======================= Grid point 253 (130/160) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -1.168 -8.446 -2.626) 8.922 2.210 ( -1.168 8.446 -2.626) 8.922 2.359 ( -1.820 -11.603 -1.828) 11.886 2.359 ( -1.820 11.603 -1.828) 11.886 2.599 ( 4.636 -2.997 -0.966) 5.604 2.599 ( 4.636 2.997 -0.966) 5.604 2.709 ( 0.634 -3.917 -0.255) 3.977 2.709 ( 0.634 3.917 -0.255) 3.977 2.920 ( -0.094 -2.715 -2.057) 3.407 2.920 ( -0.094 2.715 -2.057) 3.407 3.331 ( 0.123 -3.191 -2.197) 3.876 3.331 ( 0.123 3.191 -2.197) 3.876 3.802 ( 3.806 -3.775 13.487) 14.514 3.802 ( 3.806 3.775 13.487) 14.514 4.139 ( 8.507 -9.494 7.681) 14.883 4.139 ( 8.507 9.494 7.681) 14.883 4.444 ( -3.948 -15.565 11.085) 19.513 4.444 ( -3.948 15.565 11.085) 19.513 4.818 ( 5.660 -8.070 -2.955) 10.291 4.818 ( 5.660 8.070 -2.955) 10.291 5.008 ( 4.611 -7.888 -3.272) 9.705 5.008 ( 4.611 7.888 -3.272) 9.705 5.301 ( -5.339 -7.693 -4.655) 10.458 5.301 ( -5.339 7.693 -4.655) 10.458 5.450 ( -5.790 -5.373 -1.905) 8.126 5.450 ( -5.790 5.373 -1.905) 8.126 6.079 ( 9.576 -6.990 -2.160) 12.051 6.079 ( 9.576 6.990 -2.160) 12.051 6.516 ( -14.163 -4.282 -1.687) 14.892 6.516 ( -14.163 4.282 -1.687) 14.892 7.438 ( 1.405 -5.814 -4.605) 7.549 7.438 ( 1.405 5.814 -4.605) 7.549 7.690 ( -6.498 -0.937 -1.537) 6.743 7.690 ( -6.498 0.937 -1.537) 6.743 8.422 ( 0.265 -7.014 10.780) 12.864 8.422 ( 0.265 7.014 10.780) 12.864 9.083 ( -0.333 -6.146 2.573) 6.672 9.083 ( -0.333 6.146 2.573) 6.672 9.634 ( 9.560 -13.366 -2.887) 16.685 9.634 ( 9.560 13.366 -2.887) 16.685 9.933 ( -0.870 -6.974 -3.547) 7.872 9.933 ( -0.870 6.974 -3.547) 7.872 10.393 ( 4.575 -8.443 -3.092) 10.088 10.393 ( 4.575 8.443 -3.092) 10.088 11.397 ( -10.123 -1.728 8.980) 13.642 11.397 ( -10.123 1.728 8.980) 13.642 11.980 ( -2.074 -2.204 -6.023) 6.740 11.980 ( -2.074 2.204 -6.023) 6.740 15.558 ( -6.604 -0.289 0.010) 6.611 15.558 ( -6.604 0.289 0.010) 6.611 15.856 ( -1.558 -1.376 -8.566) 8.815 15.856 ( -1.558 1.376 -8.566) 8.815 16.345 ( 0.973 -3.552 7.728) 8.561 16.345 ( 0.973 3.552 7.728) 8.561 16.735 ( 7.941 -3.814 0.035) 8.810 16.735 ( 7.941 3.814 0.035) 8.810 19.117 ( -2.687 -2.096 -3.345) 4.775 19.117 ( -2.687 2.096 -3.345) 4.775 20.168 ( 0.588 -1.147 2.422) 2.744 20.168 ( 0.588 1.147 2.422) 2.744 ======================= Grid point 288 (131/160) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 2.426 0.000 -21.535) 21.672 1.602 ( -2.426 0.000 21.535) 21.672 1.736 ( 0.093 0.000 -23.809) 23.809 1.736 ( -0.093 0.000 23.809) 23.809 2.818 ( 2.532 0.000 -6.078) 6.585 2.818 ( -2.532 0.000 6.078) 6.585 3.155 ( 1.990 0.000 -27.716) 27.787 3.155 ( -1.990 0.000 27.716) 27.787 3.184 ( -2.489 0.000 -4.289) 4.959 3.184 ( 2.489 0.000 4.289) 4.959 3.567 ( 0.232 0.000 -3.621) 3.629 3.567 ( -0.232 0.000 3.621) 3.629 3.751 ( -0.741 0.000 -8.605) 8.637 3.751 ( 0.741 0.000 8.605) 8.637 3.908 ( 0.887 0.000 -1.753) 1.965 3.908 ( -0.887 0.000 1.753) 1.965 4.342 ( -11.818 0.000 -7.470) 13.981 4.342 ( 11.818 0.000 7.470) 13.981 4.679 ( 8.405 0.000 -5.305) 9.939 4.679 ( -8.405 0.000 5.305) 9.939 4.817 ( 8.023 0.000 -15.961) 17.864 4.817 ( -8.023 0.000 15.961) 17.864 5.397 ( -3.503 0.000 -8.061) 8.789 5.397 ( 3.503 0.000 8.061) 8.789 5.715 ( -10.641 0.000 -5.453) 11.957 5.715 ( 10.641 0.000 5.453) 11.957 6.040 ( -1.296 0.000 -9.224) 9.315 6.040 ( 1.296 0.000 9.224) 9.315 6.622 ( 11.588 0.000 -4.782) 12.536 6.622 ( -11.588 0.000 4.782) 12.536 6.821 ( -0.368 0.000 -6.344) 6.355 6.821 ( 0.368 0.000 6.344) 6.355 7.737 ( -0.214 0.000 -0.677) 0.710 7.737 ( 0.214 0.000 0.677) 0.710 8.140 ( -2.211 0.000 -2.677) 3.472 8.140 ( 2.211 0.000 2.677) 3.472 8.860 ( 0.279 0.000 -4.059) 4.069 8.860 ( -0.279 0.000 4.059) 4.069 9.303 ( 0.481 0.000 -1.037) 1.143 9.303 ( -0.481 0.000 1.037) 1.143 10.299 ( 0.158 0.000 -7.282) 7.284 10.299 ( -0.158 0.000 7.282) 7.284 10.691 ( 2.488 0.000 -9.965) 10.271 10.691 ( -2.488 0.000 9.965) 10.271 11.469 ( 2.500 0.000 -12.546) 12.792 11.469 ( -2.500 0.000 12.546) 12.792 11.752 ( -1.157 0.000 -7.430) 7.519 11.752 ( 1.157 0.000 7.430) 7.519 15.977 ( -9.410 0.000 0.297) 9.414 15.977 ( 9.410 0.000 -0.297) 9.414 16.056 ( -6.038 0.000 -0.881) 6.102 16.056 ( 6.038 0.000 0.881) 6.102 16.144 ( -6.796 0.000 -0.076) 6.796 16.144 ( 6.796 0.000 0.076) 6.796 16.448 ( -6.300 0.000 -2.553) 6.798 16.448 ( 6.300 0.000 2.553) 6.798 19.042 ( 1.520 0.000 -1.922) 2.451 19.042 ( -1.520 0.000 1.922) 2.451 20.234 ( 0.239 0.000 -0.447) 0.507 20.234 ( -0.239 0.000 0.447) 0.507 ======================= Grid point 290 (132/160) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 9.337 0.000 -21.764) 23.682 1.494 ( 7.922 0.000 -24.688) 25.928 1.881 ( 4.301 0.000 18.580) 19.071 2.065 ( 5.860 0.000 20.793) 21.603 2.640 ( 12.103 0.000 -36.667) 38.613 2.795 ( -2.949 0.000 0.438) 2.982 2.929 ( -5.791 0.000 3.734) 6.891 3.102 ( -7.868 0.000 2.407) 8.228 3.165 ( 1.345 0.000 -7.327) 7.449 3.509 ( -2.923 0.000 8.708) 9.186 3.529 ( -1.461 0.000 -0.948) 1.741 3.581 ( -4.771 0.000 6.181) 7.808 3.680 ( 4.387 0.000 -9.502) 10.466 3.814 ( -10.175 0.000 3.318) 10.702 3.884 ( -6.784 0.000 4.620) 8.208 3.962 ( 9.601 0.000 12.083) 15.433 4.112 ( 3.639 0.000 -8.541) 9.284 4.283 ( -11.447 0.000 -11.919) 16.526 4.692 ( -2.166 0.000 -4.184) 4.711 4.718 ( -8.884 0.000 15.245) 17.645 4.725 ( 3.787 0.000 -10.892) 11.532 4.932 ( 7.022 0.000 11.398) 13.387 5.258 ( -1.461 0.000 -7.264) 7.409 5.509 ( -0.277 0.000 5.002) 5.010 5.612 ( 4.091 0.000 -3.613) 5.458 5.951 ( -1.630 0.000 -3.357) 3.732 5.968 ( 5.325 0.000 4.869) 7.215 6.305 ( 7.108 0.000 16.964) 18.393 6.441 ( -7.271 0.000 2.443) 7.671 6.599 ( -0.985 0.000 -14.279) 14.313 6.780 ( 2.848 0.000 -1.890) 3.418 6.820 ( -8.119 0.000 3.895) 9.005 7.730 ( 1.655 0.000 -1.871) 2.498 7.730 ( -1.129 0.000 -1.035) 1.531 8.093 ( -1.934 0.000 0.554) 2.012 8.229 ( 2.541 0.000 4.732) 5.371 8.845 ( 4.962 0.000 -4.553) 6.734 8.880 ( 0.152 0.000 -1.886) 1.892 9.325 ( -0.205 0.000 2.552) 2.560 9.358 ( 4.684 0.000 3.037) 5.582 10.092 ( -10.867 0.000 -6.752) 12.794 10.235 ( -10.968 0.000 2.055) 11.159 10.645 ( 0.994 0.000 -6.263) 6.341 10.773 ( -3.580 0.000 7.926) 8.697 11.386 ( 6.485 0.000 -12.017) 13.655 11.612 ( 3.137 0.000 11.087) 11.522 11.789 ( 12.893 0.000 -2.950) 13.226 11.929 ( 7.828 0.000 5.603) 9.627 15.770 ( -12.862 0.000 0.374) 12.868 15.811 ( -15.905 0.000 -0.151) 15.906 15.880 ( -14.302 0.000 0.597) 14.315 16.001 ( -6.213 0.000 0.836) 6.269 16.259 ( 7.986 0.000 0.678) 8.015 16.335 ( 11.223 0.000 -0.593) 11.239 16.427 ( 6.147 0.000 -3.669) 7.159 16.628 ( 8.250 0.000 2.088) 8.510 19.056 ( 1.583 0.000 -0.587) 1.688 19.065 ( 0.779 0.000 3.279) 3.371 20.212 ( -1.147 0.000 -1.818) 2.149 20.214 ( -1.841 0.000 -0.846) 2.026 ======================= Grid point 291 (133/160) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 15.531 0.000 -17.716) 23.560 1.437 ( 16.747 0.000 -19.322) 25.569 2.165 ( 4.535 0.000 14.944) 15.617 2.391 ( 7.968 0.000 10.653) 13.304 2.603 ( 27.669 0.000 -23.816) 36.507 2.754 ( -3.378 0.000 2.273) 4.072 2.893 ( -4.487 0.000 1.589) 4.760 2.969 ( -8.608 0.000 -1.688) 8.772 3.078 ( -3.403 0.000 -0.091) 3.404 3.193 ( -18.318 0.000 -8.045) 20.007 3.464 ( -9.071 0.000 -0.429) 9.081 3.535 ( -5.159 0.000 -8.525) 9.964 3.600 ( -3.372 0.000 -9.085) 9.690 3.779 ( -3.683 0.000 1.465) 3.964 3.833 ( -1.267 0.000 10.451) 10.527 3.991 ( -1.553 0.000 -12.929) 13.022 4.160 ( 7.374 0.000 2.800) 7.887 4.278 ( 7.989 0.000 4.129) 8.993 4.675 ( 3.900 0.000 -5.201) 6.501 4.680 ( -8.043 0.000 5.961) 10.011 4.717 ( 3.781 0.000 7.274) 8.198 5.163 ( -1.731 0.000 -3.318) 3.743 5.207 ( 4.867 0.000 12.399) 13.320 5.511 ( -3.916 0.000 1.426) 4.167 5.674 ( 4.757 0.000 -2.886) 5.564 5.866 ( -5.735 0.000 -1.374) 5.898 5.972 ( -7.852 0.000 -1.331) 7.964 6.178 ( -12.872 0.000 2.104) 13.043 6.393 ( -3.970 0.000 -9.231) 10.049 6.597 ( -11.521 0.000 7.112) 13.540 6.795 ( 5.775 0.000 -7.712) 9.634 6.937 ( 17.512 0.000 13.306) 21.993 7.682 ( -2.439 0.000 -0.390) 2.470 7.753 ( 4.238 0.000 -2.730) 5.041 8.084 ( -1.186 0.000 2.237) 2.532 8.324 ( 2.884 0.000 2.819) 4.033 8.858 ( 2.538 0.000 -3.615) 4.417 8.934 ( 10.044 0.000 -2.023) 10.246 9.350 ( 0.094 0.000 1.707) 1.710 9.435 ( 1.633 0.000 -4.931) 5.194 9.887 ( -6.165 0.000 0.799) 6.216 10.042 ( -12.055 0.000 -0.440) 12.063 10.538 ( -5.288 0.000 -4.632) 7.030 10.736 ( -7.678 0.000 4.082) 8.696 11.428 ( 11.624 0.000 -7.654) 13.918 11.826 ( 7.262 0.000 8.404) 11.107 12.049 ( 12.664 0.000 4.918) 13.585 12.102 ( 5.673 0.000 2.835) 6.342 15.542 ( -13.879 0.000 -0.278) 13.882 15.631 ( -7.589 0.000 6.427) 9.944 15.643 ( -13.524 0.000 0.173) 13.525 15.895 ( -8.967 0.000 5.371) 10.452 16.356 ( 4.063 0.000 -3.553) 5.397 16.492 ( 6.418 0.000 -3.147) 7.148 16.492 ( 7.892 0.000 -1.010) 7.957 16.695 ( 1.174 0.000 -6.045) 6.158 19.089 ( 1.871 0.000 2.078) 2.796 19.145 ( 2.914 0.000 4.459) 5.327 20.155 ( -2.994 0.000 -1.824) 3.506 20.158 ( -1.725 0.000 -2.719) 3.220 ======================= Grid point 292 (134/160) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 20.781 0.000 -11.506) 23.754 1.592 ( 20.890 0.000 -10.056) 23.185 2.380 ( 0.818 0.000 11.697) 11.725 2.529 ( -0.274 0.000 -2.584) 2.599 2.682 ( -13.331 0.000 -2.151) 13.504 2.764 ( -3.354 0.000 1.855) 3.833 2.798 ( -2.275 0.000 1.778) 2.887 2.932 ( 23.539 0.000 -6.809) 24.504 2.935 ( -4.538 0.000 -3.479) 5.718 3.077 ( -9.627 0.000 5.728) 11.202 3.202 ( -9.206 0.000 4.622) 10.301 3.263 ( -5.758 0.000 -16.836) 17.793 3.534 ( 6.959 0.000 -6.953) 9.837 3.827 ( 8.648 0.000 -10.578) 13.663 3.851 ( 0.453 0.000 -3.078) 3.111 3.940 ( -0.948 0.000 9.035) 9.085 4.351 ( 7.289 0.000 -0.247) 7.293 4.388 ( 5.187 0.000 2.850) 5.918 4.619 ( -5.057 0.000 3.107) 5.935 4.665 ( 1.111 0.000 -1.067) 1.540 4.928 ( 3.927 0.000 6.693) 7.760 5.161 ( 3.754 0.000 2.458) 4.487 5.351 ( -4.445 0.000 10.644) 11.535 5.403 ( -7.836 0.000 -2.564) 8.244 5.583 ( -16.012 0.000 1.196) 16.057 5.754 ( -6.600 0.000 -8.424) 10.701 5.757 ( 0.702 0.000 -7.806) 7.838 5.990 ( -11.715 0.000 0.926) 11.752 6.323 ( 2.214 0.000 2.710) 3.500 6.538 ( -6.543 0.000 10.229) 12.143 6.801 ( 8.369 0.000 -11.592) 14.298 7.249 ( 1.403 0.000 4.639) 4.846 7.719 ( 3.252 0.000 8.435) 9.040 7.808 ( 6.365 0.000 -3.242) 7.143 8.096 ( -0.471 0.000 1.652) 1.718 8.374 ( 1.199 0.000 -2.526) 2.796 8.893 ( 6.578 0.000 -2.891) 7.185 9.137 ( 12.982 0.000 2.326) 13.188 9.330 ( -2.228 0.000 -5.874) 6.282 9.366 ( 1.197 0.000 -1.170) 1.674 9.820 ( -13.371 0.000 -0.023) 13.371 9.859 ( -0.834 0.000 0.370) 0.913 10.384 ( -5.402 0.000 -4.192) 6.838 10.633 ( -9.404 0.000 2.787) 9.808 11.583 ( 13.602 0.000 -3.075) 13.945 12.037 ( 7.003 0.000 5.641) 8.992 12.178 ( 0.652 0.000 0.477) 0.808 12.257 ( 4.415 0.000 4.295) 6.159 15.332 ( -10.299 0.000 0.469) 10.310 15.431 ( -10.724 0.000 -0.436) 10.733 15.665 ( -3.582 0.000 12.893) 13.381 15.838 ( -8.171 0.000 9.496) 12.528 16.314 ( 1.775 0.000 -10.102) 10.257 16.490 ( -2.266 0.000 -13.408) 13.598 16.572 ( 4.601 0.000 -0.002) 4.601 16.630 ( 4.466 0.000 -3.408) 5.618 19.179 ( 3.269 0.000 4.927) 5.913 19.256 ( 3.107 0.000 4.639) 5.583 20.078 ( -2.906 0.000 -2.044) 3.552 20.097 ( -1.695 0.000 -2.402) 2.940 ======================= Grid point 293 (135/160) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 21.143 0.000 -3.403) 21.415 1.866 ( 19.126 0.000 -3.187) 19.390 2.356 ( -12.193 0.000 6.237) 13.696 2.376 ( -8.345 0.000 -5.530) 10.011 2.559 ( -1.961 0.000 -4.957) 5.331 2.704 ( -13.648 0.000 1.698) 13.753 2.776 ( 3.152 0.000 -0.411) 3.179 2.897 ( 1.383 0.000 4.915) 5.106 2.919 ( -11.531 0.000 10.354) 15.497 3.039 ( 0.569 0.000 -9.935) 9.951 3.087 ( 0.338 0.000 -4.134) 4.148 3.233 ( -2.376 0.000 0.077) 2.377 3.756 ( 18.073 0.000 -0.766) 18.090 3.836 ( 16.233 0.000 -6.385) 17.444 3.999 ( 14.688 0.000 -2.020) 14.827 3.999 ( -0.074 0.000 4.398) 4.398 4.288 ( -6.776 0.000 -5.423) 8.679 4.531 ( 2.972 0.000 1.117) 3.175 4.584 ( -2.145 0.000 1.363) 2.541 4.760 ( 8.692 0.000 3.759) 9.470 4.931 ( -13.058 0.000 2.153) 13.234 5.205 ( -10.034 0.000 -3.021) 10.479 5.256 ( -5.906 0.000 0.543) 5.931 5.339 ( -7.993 0.000 6.165) 10.095 5.351 ( 0.155 0.000 6.174) 6.176 5.597 ( -1.983 0.000 -5.958) 6.279 5.677 ( 2.454 0.000 -9.090) 9.416 5.800 ( -10.680 0.000 -0.280) 10.683 6.507 ( 6.540 0.000 11.078) 12.864 6.587 ( -3.835 0.000 11.303) 11.936 6.802 ( 9.808 0.000 -12.991) 16.277 7.165 ( -8.635 0.000 -3.527) 9.328 7.897 ( 8.462 0.000 -2.811) 8.916 7.905 ( 1.267 0.000 11.654) 11.722 8.097 ( -0.702 0.000 -0.187) 0.726 8.267 ( -5.038 0.000 -8.068) 9.512 9.044 ( 12.809 0.000 -0.297) 12.813 9.281 ( 0.986 0.000 -0.691) 1.204 9.325 ( -2.101 0.000 2.465) 3.239 9.432 ( 14.446 0.000 -3.028) 14.760 9.594 ( -14.161 0.000 3.915) 14.693 9.823 ( -1.707 0.000 -3.443) 3.843 10.284 ( -0.090 0.000 -3.452) 3.453 10.477 ( -11.479 0.000 1.569) 11.586 11.797 ( 12.855 0.000 -0.206) 12.856 12.134 ( -4.870 0.000 -0.364) 4.884 12.198 ( 5.024 0.000 2.761) 5.733 12.319 ( -0.206 0.000 0.997) 1.018 15.211 ( -4.878 0.000 1.195) 5.022 15.274 ( -6.364 0.000 -1.070) 6.453 15.767 ( -2.547 0.000 11.328) 11.611 15.832 ( -6.841 0.000 10.218) 12.297 16.213 ( 2.335 0.000 -10.964) 11.210 16.273 ( -1.267 0.000 -13.446) 13.505 16.639 ( 2.298 0.000 1.030) 2.518 16.670 ( 2.517 0.000 -1.548) 2.955 19.292 ( 2.970 0.000 3.929) 4.925 19.344 ( 1.305 0.000 2.871) 3.154 20.019 ( -1.312 0.000 -1.141) 1.739 20.044 ( -1.564 0.000 -1.590) 2.230 ======================= Grid point 294 (136/160) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 4.444 0.000 -3.722) 5.797 2.111 ( -4.444 0.000 3.722) 5.797 2.193 ( 10.571 0.000 -7.653) 13.051 2.193 ( -10.571 0.000 7.653) 13.051 2.501 ( 10.263 0.000 -5.196) 11.504 2.501 ( -10.263 0.000 5.196) 11.504 2.855 ( 8.471 0.000 -5.735) 10.229 2.855 ( -8.471 0.000 5.735) 10.229 3.016 ( 3.886 0.000 -1.615) 4.209 3.016 ( -3.886 0.000 1.615) 4.209 3.078 ( -5.787 0.000 -10.008) 11.560 3.078 ( 5.787 0.000 10.008) 11.560 3.972 ( -4.822 0.000 -1.499) 5.049 3.972 ( 4.822 0.000 1.499) 5.049 4.048 ( -14.396 0.000 -0.376) 14.401 4.048 ( 14.396 0.000 0.376) 14.401 4.454 ( -28.116 0.000 1.388) 28.150 4.454 ( 28.116 0.000 -1.388) 28.150 4.589 ( -4.434 0.000 -0.836) 4.512 4.589 ( 4.434 0.000 0.836) 4.512 4.993 ( -10.509 0.000 -3.452) 11.062 4.993 ( 10.509 0.000 3.452) 11.062 5.257 ( -4.446 0.000 -0.309) 4.457 5.257 ( 4.446 0.000 0.309) 4.457 5.499 ( -4.165 0.000 -4.790) 6.348 5.499 ( 4.165 0.000 4.790) 6.348 5.659 ( 7.035 0.000 -5.177) 8.734 5.659 ( -7.035 0.000 5.177) 8.734 6.642 ( 2.556 0.000 -4.530) 5.202 6.642 ( -2.556 0.000 4.530) 5.202 6.928 ( -13.118 0.000 -1.927) 13.259 6.928 ( 13.118 0.000 1.927) 13.259 7.999 ( 7.253 0.000 -9.096) 11.633 7.999 ( -7.253 0.000 9.096) 11.633 8.097 ( -0.875 0.000 -6.081) 6.143 8.097 ( 0.875 0.000 6.081) 6.143 9.254 ( -6.298 0.000 -3.001) 6.977 9.254 ( 6.298 0.000 3.001) 6.977 9.350 ( -10.330 0.000 1.451) 10.431 9.350 ( 10.330 0.000 -1.451) 10.431 9.698 ( -7.078 0.000 -5.473) 8.947 9.698 ( 7.078 0.000 5.473) 8.947 10.318 ( -8.048 0.000 2.145) 8.329 10.318 ( 8.048 0.000 -2.145) 8.329 11.998 ( -9.670 0.000 -0.839) 9.706 11.998 ( 9.670 0.000 0.839) 9.706 12.290 ( -2.802 0.000 -1.149) 3.028 12.290 ( 2.802 0.000 1.149) 3.028 15.194 ( -0.993 0.000 -1.429) 1.740 15.194 ( 0.993 0.000 1.429) 1.740 15.828 ( 2.221 0.000 -0.952) 2.417 15.828 ( -2.221 0.000 0.952) 2.417 16.168 ( 1.570 0.000 -0.554) 1.665 16.168 ( -1.570 0.000 0.554) 1.665 16.673 ( -0.002 0.000 -1.403) 1.403 16.673 ( 0.002 0.000 1.403) 1.403 19.359 ( -1.258 0.000 -0.602) 1.394 19.359 ( 1.258 0.000 0.602) 1.394 20.010 ( -0.669 0.000 -0.430) 0.795 20.010 ( 0.669 0.000 0.430) 0.795 ======================= Grid point 300 (137/160) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 2.057 8.810 -20.087) 22.030 1.705 ( -2.057 8.810 20.087) 22.030 1.854 ( -0.044 9.248 -21.235) 23.162 1.854 ( 0.044 9.248 21.235) 23.162 2.832 ( -0.841 0.584 -2.941) 3.114 2.832 ( 0.841 0.584 2.941) 3.114 3.070 ( -0.648 -8.970 -4.811) 10.199 3.070 ( 0.648 -8.970 4.811) 10.199 3.239 ( -2.057 7.299 -27.587) 28.611 3.239 ( 2.057 7.299 27.587) 28.611 3.513 ( -0.346 -4.777 -5.046) 6.957 3.513 ( 0.346 -4.777 5.046) 6.957 3.641 ( -1.667 -7.997 -7.133) 10.845 3.641 ( 1.667 -7.997 7.133) 10.845 3.989 ( 0.397 6.953 -3.692) 7.882 3.989 ( -0.397 6.953 3.692) 7.882 4.396 ( -10.771 3.089 -8.419) 14.015 4.396 ( 10.771 3.089 8.419) 14.015 4.623 ( -4.344 -3.295 -1.245) 5.593 4.623 ( 4.344 -3.295 1.245) 5.593 4.805 ( 3.621 -0.066 -11.951) 12.488 4.805 ( -3.621 -0.066 11.951) 12.488 5.487 ( -6.276 6.291 -2.937) 9.359 5.487 ( 6.276 6.291 2.937) 9.359 5.649 ( -6.883 -5.269 -4.699) 9.860 5.649 ( 6.883 -5.269 4.699) 9.860 6.016 ( -3.716 -1.619 -8.940) 9.816 6.016 ( 3.716 -1.619 8.940) 9.816 6.588 ( 7.668 -3.028 -4.051) 9.186 6.588 ( -7.668 -3.028 4.051) 9.186 6.944 ( -2.538 9.230 -4.836) 10.725 6.944 ( 2.538 9.230 4.836) 10.725 7.803 ( 0.875 3.873 -10.194) 10.940 7.803 ( -0.875 3.873 10.194) 10.940 8.138 ( -2.171 2.181 -2.803) 4.163 8.138 ( 2.171 2.181 2.803) 4.163 8.875 ( 0.523 1.267 -2.671) 3.002 8.875 ( -0.523 1.267 2.671) 3.002 9.344 ( -2.491 3.789 -5.100) 6.824 9.344 ( 2.491 3.789 5.100) 6.824 10.265 ( 0.524 -3.289 -7.904) 8.577 10.265 ( -0.524 -3.289 7.904) 8.577 10.645 ( 2.498 -4.211 -10.154) 11.272 10.645 ( -2.498 -4.211 10.154) 11.272 11.490 ( 2.196 1.926 -12.188) 12.533 11.490 ( -2.196 1.926 12.188) 12.533 11.745 ( -1.340 -0.528 -9.476) 9.585 11.745 ( 1.340 -0.528 9.476) 9.585 15.825 ( -6.967 -7.408 -1.058) 10.224 15.825 ( 6.967 -7.408 1.058) 10.224 15.975 ( -8.152 -9.890 -0.388) 12.823 15.975 ( 8.152 -9.890 0.388) 12.823 16.256 ( -1.179 8.706 -2.725) 9.198 16.256 ( 1.179 8.706 2.725) 9.198 16.557 ( -8.037 7.376 -1.663) 11.034 16.557 ( 8.037 7.376 1.663) 11.034 19.032 ( 0.519 -0.743 -2.054) 2.245 19.032 ( -0.519 -0.743 2.054) 2.245 20.234 ( -0.326 -0.080 -0.156) 0.370 20.234 ( 0.326 -0.080 0.156) 0.370 ======================= Grid point 302 (138/160) ======================= q-point: ( 0.10 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 7.726 10.512 -19.299) 23.294 1.642 ( 6.054 11.401 -21.173) 24.798 1.958 ( 3.586 6.969 17.952) 19.588 2.134 ( 4.210 5.020 18.675) 19.791 2.739 ( 4.377 5.958 -18.413) 19.841 2.813 ( -0.208 2.261 -8.553) 8.849 2.899 ( -5.814 -2.714 1.754) 6.652 3.033 ( -4.480 -4.934 0.199) 6.667 3.111 ( 2.562 -3.227 -4.953) 6.442 3.389 ( -1.057 -9.002 -4.715) 10.216 3.518 ( -3.387 -3.804 0.322) 5.103 3.560 ( 1.068 -7.182 -3.983) 8.281 3.621 ( 1.063 1.625 8.874) 9.084 3.810 ( 2.635 -6.416 10.083) 12.238 3.849 ( -11.304 1.344 -0.497) 11.395 3.959 ( -10.203 4.975 4.276) 12.130 4.164 ( 1.985 3.614 -13.282) 13.907 4.385 ( -1.128 7.821 -5.548) 9.656 4.660 ( 1.547 -2.859 -6.393) 7.172 4.696 ( -1.705 -1.563 10.693) 10.940 4.767 ( 1.588 4.955 -0.669) 5.246 4.888 ( -0.052 -2.866 8.668) 9.130 5.347 ( -2.869 6.149 -2.150) 7.118 5.549 ( 0.527 0.925 0.046) 1.065 5.588 ( 3.743 -0.750 -2.855) 4.767 5.809 ( 2.894 -7.667 2.054) 8.449 5.933 ( -1.353 -4.895 -0.004) 5.079 6.304 ( 1.848 -0.611 13.335) 13.476 6.421 ( -1.539 -2.060 3.277) 4.166 6.621 ( 4.248 0.723 -13.479) 14.151 6.860 ( -1.125 7.650 -0.693) 7.763 6.991 ( -2.006 13.033 1.830) 13.313 7.695 ( -0.758 1.019 -7.924) 8.026 7.902 ( -2.609 4.578 10.605) 11.842 8.097 ( -0.679 5.838 0.148) 5.879 8.229 ( 3.068 0.873 4.098) 5.193 8.855 ( 1.692 0.377 -4.811) 5.113 8.891 ( 2.371 1.495 -1.478) 3.169 9.290 ( 1.127 -0.103 -1.331) 1.747 9.471 ( 3.456 7.373 6.319) 10.307 10.052 ( -11.194 -3.599 -7.412) 13.899 10.205 ( -11.172 -3.035 2.895) 11.934 10.597 ( 1.120 -4.345 -6.337) 7.765 10.738 ( -2.886 -3.396 8.320) 9.439 11.408 ( 6.521 2.026 -11.999) 13.806 11.628 ( 4.462 1.174 8.419) 9.601 11.735 ( 10.429 -3.225 -4.728) 11.896 11.938 ( 6.967 0.070 7.498) 10.235 15.660 ( -9.222 -4.859 1.500) 10.531 15.745 ( -10.797 -3.718 1.073) 11.469 16.016 ( -0.021 -1.604 0.152) 1.611 16.079 ( -7.461 5.094 1.191) 9.112 16.132 ( 0.719 -2.993 -0.447) 3.111 16.244 ( 2.410 -3.082 -0.283) 3.923 16.515 ( 3.899 5.143 -1.996) 6.755 16.719 ( 6.222 5.408 0.309) 8.250 19.037 ( 1.845 -1.304 -0.620) 2.343 19.073 ( 1.741 0.643 3.119) 3.629 20.205 ( -1.743 -0.375 -1.385) 2.258 20.221 ( -1.040 0.346 -1.291) 1.693 ======================= Grid point 303 (139/160) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 13.165 9.888 -18.116) 24.480 1.582 ( 13.002 10.771 -15.754) 23.093 2.218 ( 3.075 4.627 14.556) 15.580 2.431 ( 6.547 2.313 14.025) 15.650 2.700 ( 16.887 6.096 -15.934) 24.005 2.738 ( -0.790 -1.543 -2.614) 3.137 2.825 ( -4.148 -4.013 -2.139) 6.155 2.980 ( -8.388 -0.036 4.738) 9.634 3.029 ( -6.105 -2.960 -0.978) 6.855 3.214 ( -7.266 0.923 -9.695) 12.150 3.399 ( -4.738 -4.231 -1.120) 6.450 3.481 ( -5.529 -4.952 -7.999) 10.912 3.639 ( 1.372 0.449 -11.321) 11.413 3.732 ( -9.851 -1.309 -3.309) 10.474 3.779 ( -1.008 -3.909 4.490) 6.038 3.866 ( -1.946 -7.557 2.205) 8.109 4.133 ( 5.850 -0.336 -0.679) 5.899 4.427 ( 4.126 8.291 -3.325) 9.840 4.688 ( 3.071 2.550 1.053) 4.128 4.710 ( -6.068 2.720 5.965) 8.933 4.803 ( 4.005 6.796 6.294) 10.092 4.971 ( -2.096 -8.514 6.454) 10.887 5.352 ( 0.985 2.243 1.665) 2.962 5.535 ( -2.866 2.903 -0.673) 4.135 5.651 ( 6.511 -2.381 -1.658) 7.128 5.788 ( -6.827 -4.571 1.526) 8.357 5.881 ( -4.805 -6.752 -2.310) 8.603 6.161 ( -10.620 -1.582 0.939) 10.778 6.444 ( -2.280 4.127 -8.718) 9.911 6.755 ( -4.376 10.118 9.052) 14.264 6.853 ( 8.937 5.057 -2.652) 10.606 7.047 ( 11.156 10.585 3.510) 15.774 7.586 ( -1.849 -1.680 -6.052) 6.548 7.968 ( -2.790 3.824 8.582) 9.801 8.105 ( -0.227 9.668 1.547) 9.794 8.323 ( 2.795 0.042 2.495) 3.747 8.821 ( 2.912 -2.390 -5.195) 6.417 8.965 ( 8.164 2.006 -1.015) 8.468 9.324 ( 3.141 -0.444 -1.028) 3.335 9.540 ( -1.139 7.566 -2.786) 8.143 9.828 ( -6.614 -4.835 0.677) 8.221 10.019 ( -12.215 -2.495 0.348) 12.472 10.499 ( -4.582 -3.563 -4.195) 7.162 10.711 ( -7.626 -2.500 3.958) 8.948 11.446 ( 11.402 1.822 -7.795) 13.932 11.841 ( 7.931 0.859 7.628) 11.038 11.935 ( 13.821 -7.042 0.322) 15.514 12.116 ( 4.414 -0.525 4.696) 6.466 15.571 ( -10.731 2.413 0.812) 11.029 15.594 ( -4.662 0.263 7.795) 9.086 15.823 ( -14.255 11.063 0.936) 18.069 15.942 ( -11.068 5.054 3.568) 12.680 16.214 ( 7.483 -9.886 -1.462) 12.485 16.378 ( 8.402 -8.711 -1.609) 12.209 16.553 ( 3.623 2.547 -2.507) 5.089 16.721 ( -1.045 1.050 -7.793) 7.932 19.083 ( 2.525 0.001 2.275) 3.399 19.163 ( 3.339 1.149 4.103) 5.413 20.146 ( -2.437 -0.401 -2.128) 3.260 20.172 ( -1.860 0.850 -2.341) 3.109 ======================= Grid point 304 (140/160) ======================= q-point: ( 0.30 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 18.471 5.137 -11.489) 22.351 1.694 ( 17.540 8.308 -10.132) 21.894 2.401 ( -0.601 1.802 11.386) 11.543 2.562 ( -6.418 0.791 -2.230) 6.841 2.659 ( -6.039 -2.167 1.597) 6.612 2.727 ( -8.664 -1.741 -0.459) 8.849 2.787 ( 1.331 -2.086 3.824) 4.555 2.922 ( 10.262 1.114 -2.169) 10.548 3.027 ( -2.770 1.122 3.628) 4.700 3.084 ( 0.650 4.048 -1.615) 4.406 3.164 ( -12.931 0.887 -2.155) 13.139 3.350 ( -3.662 3.148 -12.864) 13.740 3.475 ( 10.467 -2.071 -9.421) 14.234 3.683 ( 4.962 -10.530 -10.215) 15.487 3.784 ( 3.166 -4.984 -1.259) 6.037 3.894 ( -1.392 -5.903 5.958) 8.501 4.321 ( 9.319 -3.146 6.913) 12.022 4.410 ( -0.976 2.102 -3.927) 4.560 4.600 ( -7.129 -0.358 0.458) 7.153 4.743 ( 1.323 6.581 0.350) 6.722 4.991 ( 0.968 1.310 7.306) 7.485 5.056 ( 3.116 -3.181 9.376) 10.379 5.304 ( -4.722 -5.543 -3.375) 8.026 5.436 ( -9.915 1.500 -0.602) 10.046 5.648 ( -10.386 2.466 3.878) 11.357 5.722 ( 3.322 0.121 -2.599) 4.220 5.756 ( -2.213 0.684 -6.550) 6.948 5.997 ( -8.713 0.430 -1.568) 8.863 6.380 ( 2.445 5.587 0.968) 6.175 6.714 ( -5.689 14.074 8.012) 17.166 6.930 ( 7.291 10.170 -8.706) 15.244 7.286 ( 1.638 4.166 1.713) 4.793 7.562 ( 6.598 -5.580 1.651) 8.797 8.028 ( -0.838 2.719 6.778) 7.351 8.112 ( -0.567 9.791 0.360) 9.814 8.363 ( 0.847 -0.729 -2.371) 2.621 8.851 ( 6.990 -3.450 -3.241) 8.442 9.145 ( 11.327 0.612 2.438) 11.603 9.342 ( 2.768 2.100 -4.466) 5.659 9.435 ( -3.215 4.655 -2.141) 6.049 9.777 ( -9.360 -3.377 0.929) 9.994 9.825 ( -4.613 -3.077 -0.593) 5.576 10.363 ( -5.223 -2.150 -3.538) 6.665 10.603 ( -9.314 -2.934 2.205) 10.011 11.595 ( 13.131 1.262 -3.066) 13.544 12.051 ( 6.720 1.051 5.692) 8.869 12.138 ( 6.480 -4.633 0.493) 7.982 12.201 ( 1.692 -3.106 2.863) 4.550 15.409 ( -8.587 6.880 0.599) 11.019 15.577 ( -11.339 12.104 0.875) 16.608 15.687 ( -3.495 2.178 11.942) 12.632 15.850 ( -8.233 1.289 8.235) 11.716 16.271 ( 4.071 -4.268 -6.636) 8.878 16.454 ( 3.862 -5.278 -5.699) 8.674 16.520 ( -1.079 -0.294 -10.236) 10.297 16.620 ( 3.420 -2.685 -1.950) 4.766 19.175 ( 3.077 0.114 4.336) 5.318 19.271 ( 2.783 0.725 4.279) 5.156 20.079 ( -2.236 0.110 -2.050) 3.035 20.112 ( -1.712 1.234 -2.234) 3.073 ======================= Grid point 305 (141/160) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 18.117 0.224 -3.049) 18.374 1.921 ( 18.234 5.268 -3.863) 19.369 2.339 ( -8.839 -2.133 -3.773) 9.845 2.394 ( -12.444 1.804 4.224) 13.264 2.584 ( -0.634 1.655 -2.711) 3.239 2.696 ( -6.441 -0.293 4.702) 7.980 2.827 ( -4.949 4.274 -2.484) 6.995 2.878 ( 0.883 -1.118 3.142) 3.450 2.949 ( -10.553 1.619 7.235) 12.897 3.044 ( 0.400 -1.992 -2.890) 3.532 3.063 ( -0.101 -0.741 -6.136) 6.181 3.249 ( -2.561 2.641 -2.612) 4.512 3.670 ( 10.783 -9.523 -0.982) 14.419 3.751 ( 18.490 -4.700 -5.706) 19.913 3.902 ( 2.705 -7.219 1.956) 7.953 3.951 ( 15.399 -4.770 -1.633) 16.203 4.255 ( -11.966 -4.355 -3.740) 13.272 4.518 ( -2.748 -1.232 0.534) 3.059 4.542 ( 5.630 -1.827 5.011) 7.755 4.788 ( 4.666 3.517 0.582) 5.872 5.029 ( -20.176 -0.180 3.054) 20.406 5.088 ( -2.154 -3.578 3.208) 5.266 5.150 ( -3.033 -3.876 -1.246) 5.077 5.313 ( 0.763 4.114 0.475) 4.211 5.570 ( -3.705 6.749 2.524) 8.102 5.662 ( -0.395 4.629 -3.260) 5.676 5.703 ( 0.134 3.820 -4.709) 6.065 5.827 ( -7.927 2.588 -2.503) 8.706 6.553 ( 7.836 5.218 10.065) 13.782 6.764 ( -2.462 13.067 10.746) 17.096 6.912 ( 5.115 10.533 -11.254) 16.241 7.181 ( -6.350 1.821 -6.884) 9.541 7.750 ( 6.811 -4.783 5.386) 9.914 8.044 ( -2.462 -4.123 -3.291) 5.822 8.127 ( -0.683 10.961 6.603) 12.814 8.292 ( -1.543 2.411 -6.155) 6.788 9.001 ( 12.412 -3.601 -0.030) 12.924 9.308 ( 2.034 2.758 1.635) 3.797 9.373 ( -2.500 2.920 -2.612) 4.648 9.430 ( 12.412 0.369 -0.732) 12.440 9.566 ( -13.813 -2.349 4.357) 14.673 9.785 ( -0.736 -3.283 -3.702) 5.002 10.265 ( -0.529 -1.871 -3.175) 3.723 10.445 ( -11.053 -3.045 1.203) 11.527 11.800 ( 12.275 0.541 -0.051) 12.287 12.126 ( -4.610 -0.746 -0.597) 4.708 12.204 ( 4.475 0.472 2.992) 5.404 12.277 ( 2.186 -3.485 0.935) 4.219 15.309 ( -3.885 8.915 1.130) 9.790 15.403 ( -7.408 11.284 -1.159) 13.548 15.788 ( -2.198 1.990 10.376) 10.792 15.837 ( -6.215 0.511 9.344) 11.233 16.219 ( 2.054 0.174 -8.507) 8.753 16.282 ( -0.857 1.155 -12.945) 13.024 16.561 ( 5.503 -5.479 -0.969) 7.826 16.652 ( 0.271 -3.086 0.283) 3.111 19.276 ( 2.964 -1.004 3.276) 4.530 19.343 ( 0.436 -0.450 2.599) 2.673 20.032 ( -0.764 1.040 -1.067) 1.675 20.062 ( -1.469 1.523 -1.437) 2.558 ======================= Grid point 306 (142/160) ======================= q-point: (-0.50 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -8.656 -2.157 -1.963) 9.134 2.095 ( 8.656 -2.157 1.963) 9.134 2.218 ( 5.241 2.503 -3.549) 6.806 2.218 ( -5.241 2.503 3.549) 6.806 2.550 ( 4.651 4.301 -4.008) 7.497 2.550 ( -4.651 4.301 4.008) 7.497 2.853 ( 5.513 -0.337 -3.351) 6.461 2.853 ( -5.513 -0.337 3.351) 6.461 2.996 ( -3.397 -2.678 0.164) 4.329 2.996 ( 3.397 -2.678 -0.164) 4.329 3.095 ( -4.851 2.483 -6.770) 8.691 3.095 ( 4.851 2.483 6.770) 8.691 3.871 ( -4.101 -8.372 -1.235) 9.404 3.871 ( 4.101 -8.372 1.235) 9.404 3.953 ( -16.924 -8.963 -0.354) 19.154 3.953 ( 16.924 -8.963 0.354) 19.154 4.383 ( -21.961 -3.144 1.202) 22.218 4.383 ( 21.961 -3.144 -1.202) 22.218 4.660 ( -9.140 1.974 -0.448) 9.361 4.660 ( 9.140 1.974 0.448) 9.361 4.956 ( -5.315 -1.586 -4.718) 7.282 4.956 ( 5.315 -1.586 4.718) 7.282 5.255 ( -2.743 2.070 -6.004) 6.918 5.255 ( 2.743 2.070 6.004) 6.918 5.615 ( -2.006 6.944 -4.139) 8.329 5.615 ( 2.006 6.944 4.139) 8.329 5.692 ( -1.292 3.688 -2.761) 4.785 5.692 ( 1.292 3.688 2.761) 4.785 6.778 ( -2.806 11.405 -7.252) 13.804 6.778 ( 2.806 11.405 7.252) 13.804 6.958 ( -4.231 3.192 -8.850) 10.315 6.958 ( 4.231 3.192 8.850) 10.315 7.915 ( -1.104 -4.786 -8.501) 9.818 7.915 ( 1.104 -4.786 8.501) 9.818 8.203 ( 0.603 6.979 -7.078) 9.959 8.203 ( -0.603 6.979 7.078) 9.959 9.230 ( -10.064 -2.764 -3.504) 11.009 9.230 ( 10.064 -2.764 3.504) 11.009 9.377 ( -5.554 3.023 0.756) 6.368 9.377 ( 5.554 3.023 -0.756) 6.368 9.675 ( -6.383 -2.116 -5.257) 8.536 9.675 ( 6.383 -2.116 5.257) 8.536 10.292 ( -7.091 -2.488 1.798) 7.727 10.292 ( 7.091 -2.488 -1.797) 7.727 11.994 ( -8.646 -0.173 -1.317) 8.747 11.994 ( 8.646 -0.173 1.317) 8.747 12.281 ( -1.094 -0.863 -1.353) 1.942 12.281 ( 1.094 -0.863 1.353) 1.942 15.307 ( -1.784 10.097 -1.494) 10.362 15.307 ( 1.784 10.097 1.494) 10.362 15.840 ( 2.310 1.016 -2.434) 3.506 15.840 ( -2.310 1.016 2.434) 3.506 16.185 ( 1.148 1.655 -2.829) 3.473 16.185 ( -1.148 1.655 2.829) 3.473 16.630 ( -0.583 -3.955 -1.125) 4.153 16.630 ( 0.583 -3.955 1.125) 4.153 19.343 ( -1.522 -1.356 -0.691) 2.152 19.343 ( 1.522 -1.356 0.691) 2.152 20.030 ( -0.829 1.610 -0.400) 1.854 20.030 ( 0.829 1.610 0.400) 1.854 ======================= Grid point 312 (143/160) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 1.073 9.753 -13.323) 16.546 1.916 ( -1.073 9.753 13.323) 16.546 2.052 ( 1.482 8.880 -14.021) 16.662 2.052 ( -1.482 8.880 14.021) 16.662 2.783 ( 0.251 -6.099 -4.549) 7.613 2.783 ( -0.251 -6.099 4.549) 7.613 2.864 ( -0.606 -9.097 -3.204) 9.664 2.864 ( 0.606 -9.097 3.204) 9.664 3.263 ( -5.269 -6.469 -1.175) 8.425 3.263 ( 5.269 -6.469 1.175) 8.425 3.420 ( 2.032 -8.041 -4.047) 9.228 3.420 ( -2.032 -8.041 4.047) 9.228 3.694 ( -1.912 20.030 -22.774) 30.390 3.694 ( 1.912 20.030 22.774) 30.390 4.164 ( -0.901 8.870 -5.322) 10.383 4.164 ( 0.901 8.870 5.322) 10.383 4.433 ( -6.640 0.911 -4.484) 8.064 4.433 ( 6.640 0.911 4.484) 8.064 4.581 ( 5.662 -0.267 -4.027) 6.953 4.581 ( -5.662 -0.267 4.027) 6.953 4.852 ( 4.654 3.842 -6.707) 9.023 4.852 ( -4.654 3.842 6.707) 9.023 5.498 ( -4.753 -7.758 -3.393) 9.711 5.498 ( 4.753 -7.758 3.393) 9.711 5.574 ( 1.837 -1.649 -1.991) 3.171 5.574 ( -1.837 -1.649 1.991) 3.171 6.008 ( -9.494 2.054 -8.803) 13.109 6.008 ( 9.494 2.054 8.803) 13.109 6.501 ( 5.821 -4.952 -2.900) 8.174 6.501 ( -5.821 -4.952 2.900) 8.174 7.134 ( -2.499 8.221 -6.438) 10.737 7.134 ( 2.499 8.221 6.438) 10.737 7.783 ( 1.911 -5.019 -6.356) 8.321 7.783 ( -1.911 -5.019 6.356) 8.321 8.326 ( 0.388 13.653 -9.173) 16.453 8.326 ( -0.388 13.653 9.173) 16.453 8.919 ( 0.685 3.489 -2.793) 4.522 8.919 ( -0.685 3.489 2.793) 4.522 9.449 ( -3.538 5.453 -9.549) 11.551 9.449 ( 3.538 5.453 9.549) 11.551 10.161 ( 1.866 -6.287 -8.745) 10.931 10.161 ( -1.866 -6.287 8.745) 10.931 10.523 ( 2.237 -7.039 -9.820) 12.288 10.523 ( -2.237 -7.039 9.820) 12.288 11.546 ( 1.587 3.216 -10.983) 11.554 11.546 ( -1.587 3.216 10.983) 11.554 11.733 ( -1.254 -0.550 -10.598) 10.687 11.733 ( 1.254 -0.550 10.598) 10.687 15.689 ( -7.542 -6.507 -0.943) 10.006 15.689 ( 7.542 -6.507 0.943) 10.006 15.780 ( -6.934 -6.796 -0.628) 9.730 15.780 ( 6.934 -6.796 0.628) 9.730 16.403 ( -1.209 4.980 -3.443) 6.174 16.403 ( 1.209 4.980 3.443) 6.174 16.699 ( -8.298 5.641 -1.147) 10.099 16.699 ( 8.298 5.641 1.147) 10.099 19.019 ( -0.991 -0.440 -1.929) 2.213 19.019 ( 0.991 -0.440 1.929) 2.213 20.231 ( -0.451 -0.168 -0.489) 0.686 20.231 ( 0.451 -0.168 0.489) 0.686 ======================= Grid point 314 (144/160) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 5.877 13.086 -12.132) 18.788 1.892 ( 4.349 11.701 -15.912) 20.225 2.138 ( 2.394 8.746 15.150) 17.656 2.222 ( 1.574 3.108 13.507) 13.949 2.720 ( -1.753 -5.456 -2.911) 6.428 2.758 ( -4.081 -7.712 -2.144) 8.985 2.838 ( -3.931 -3.822 3.897) 6.727 2.909 ( -3.439 -7.753 9.279) 12.571 3.134 ( -4.509 -6.307 -6.893) 10.374 3.281 ( 8.318 1.909 -19.039) 20.864 3.395 ( -0.343 -7.146 0.069) 7.155 3.416 ( -0.128 -4.791 3.607) 5.998 3.529 ( 4.245 3.061 -9.256) 10.633 3.865 ( -10.966 6.917 -0.061) 12.965 3.988 ( -5.871 11.983 2.099) 13.508 4.077 ( -10.913 5.998 -1.576) 12.552 4.266 ( -1.282 6.031 -10.706) 12.355 4.542 ( 7.566 5.428 -3.375) 9.905 4.638 ( 2.071 -4.236 4.677) 6.641 4.654 ( 2.342 4.863 6.743) 8.638 4.859 ( -5.660 0.279 6.639) 8.728 4.896 ( 3.322 5.985 1.186) 6.947 5.398 ( -3.968 -3.449 -2.544) 5.841 5.498 ( 3.145 -3.427 -2.996) 5.533 5.596 ( 0.479 -3.512 -1.567) 3.875 5.671 ( 4.393 -4.742 5.831) 8.705 5.821 ( -5.779 -3.160 -1.890) 6.852 6.267 ( -9.397 -3.320 6.253) 11.766 6.394 ( 10.565 0.667 6.836) 12.601 6.610 ( 10.299 -1.515 -9.406) 14.030 7.053 ( 0.695 9.665 -2.798) 10.086 7.248 ( 1.430 9.549 4.877) 10.817 7.724 ( 0.583 0.438 -7.599) 7.634 7.834 ( -0.068 -6.211 4.942) 7.937 8.257 ( 1.047 6.756 -2.691) 7.347 8.428 ( -3.274 15.191 11.262) 19.192 8.881 ( 0.024 3.479 -5.166) 6.229 8.939 ( 1.484 3.116 0.290) 3.464 9.323 ( 0.929 2.462 -6.101) 6.645 9.639 ( 3.945 7.898 9.495) 12.965 9.957 ( -10.606 -4.631 -8.217) 14.193 10.102 ( -11.497 -6.661 3.962) 13.865 10.472 ( 0.897 -7.187 -5.796) 9.276 10.629 ( -1.574 -6.841 8.572) 11.079 11.468 ( 6.461 3.553 -11.594) 13.741 11.630 ( 8.431 -0.895 -6.784) 10.859 11.721 ( 3.656 1.864 6.472) 7.663 11.922 ( 5.369 -1.476 8.512) 10.172 15.592 ( -4.216 -2.018 2.833) 5.466 15.678 ( -5.311 -2.710 1.457) 6.138 15.841 ( 7.942 -8.653 1.434) 11.833 15.948 ( 10.066 -9.637 1.750) 14.045 16.246 ( -9.609 7.335 -3.065) 12.471 16.374 ( -9.628 8.365 0.239) 12.756 16.586 ( -1.110 1.813 -1.434) 2.565 16.802 ( 1.945 2.224 -1.027) 3.128 19.017 ( 2.355 -0.390 0.051) 2.387 19.088 ( 3.282 0.542 2.789) 4.341 20.198 ( -1.629 -0.216 -1.717) 2.377 20.226 ( -0.706 0.075 -0.988) 1.217 ======================= Grid point 315 (145/160) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 7.429 14.605 -15.546) 22.587 1.836 ( 8.782 12.985 -10.480) 18.856 2.322 ( -0.868 3.980 13.121) 13.739 2.449 ( 6.924 -0.307 10.341) 12.449 2.638 ( -5.001 -5.135 -1.043) 7.243 2.693 ( -2.271 -4.970 0.155) 5.467 2.799 ( -2.736 -3.785 3.046) 5.576 2.925 ( -8.056 -4.937 -4.950) 10.667 2.994 ( -4.934 -2.700 10.865) 12.235 3.239 ( 8.531 -0.951 -13.933) 16.365 3.365 ( -2.297 -3.640 -1.192) 4.466 3.398 ( -3.105 -1.991 -6.205) 7.219 3.517 ( 7.590 2.292 -9.866) 12.657 3.691 ( -4.271 -2.449 2.968) 5.749 3.776 ( -14.180 1.320 -0.881) 14.269 3.862 ( -3.747 6.192 -17.229) 18.687 4.212 ( 2.673 8.269 -0.394) 8.699 4.544 ( -1.737 3.685 -2.828) 4.959 4.712 ( 0.642 -6.201 6.336) 8.889 4.774 ( -9.829 0.040 2.571) 10.160 4.870 ( 2.195 7.833 9.751) 12.699 4.986 ( 5.594 7.074 4.341) 10.009 5.280 ( -1.918 -6.712 -6.851) 9.781 5.550 ( -4.982 -4.723 -0.324) 6.872 5.591 ( 7.045 -2.553 -1.002) 7.560 5.724 ( -5.031 -3.237 1.729) 6.227 5.789 ( 3.444 1.069 2.543) 4.413 6.118 ( -8.100 -2.552 0.940) 8.545 6.534 ( 2.959 4.278 -6.000) 7.941 6.844 ( 13.936 1.153 8.259) 16.240 7.069 ( 2.773 11.538 -1.873) 12.014 7.309 ( 4.123 11.529 0.610) 12.260 7.618 ( -1.946 4.511 -7.118) 8.648 7.899 ( 0.694 -5.068 4.580) 6.866 8.297 ( 3.677 0.964 1.002) 3.931 8.460 ( -7.539 13.568 9.218) 18.053 8.804 ( 0.394 2.882 -6.444) 7.070 9.003 ( 6.128 1.659 0.211) 6.352 9.331 ( 5.662 -0.130 -3.482) 6.649 9.670 ( -9.322 1.038 -6.042) 11.157 9.781 ( -0.748 5.362 5.395) 7.643 9.925 ( -12.574 -6.568 1.679) 14.285 10.391 ( -3.497 -6.622 -3.295) 8.181 10.625 ( -7.042 -5.762 3.706) 9.825 11.504 ( 10.902 3.554 -7.719) 13.823 11.774 ( 15.230 -4.999 -3.656) 16.442 11.900 ( 6.129 1.860 7.370) 9.765 12.084 ( 3.402 -2.215 5.025) 6.460 15.620 ( -1.352 1.719 7.324) 7.643 15.627 ( -3.521 2.788 3.956) 5.985 15.977 ( 2.662 -4.552 0.486) 5.296 16.035 ( -4.980 1.885 -2.691) 5.967 16.114 ( -3.776 3.814 2.754) 6.032 16.212 ( -0.554 -0.303 1.335) 1.477 16.562 ( 1.225 -1.644 -4.239) 4.709 16.726 ( -4.267 -0.542 -7.376) 8.538 19.091 ( 3.873 0.593 2.474) 4.634 19.186 ( 3.467 0.854 3.399) 4.930 20.141 ( -1.940 -0.045 -2.438) 3.116 20.188 ( -1.484 0.524 -1.901) 2.468 ======================= Grid point 316 (146/160) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 9.603 9.251 -11.556) 17.645 1.911 ( 12.738 11.666 -8.347) 19.184 2.431 ( -4.602 -0.387 7.153) 8.514 2.494 ( -4.811 -4.000 1.186) 6.369 2.646 ( -5.522 -1.858 2.061) 6.180 2.665 ( -4.468 -4.709 -0.494) 6.511 2.733 ( 2.898 -1.143 4.529) 5.497 2.854 ( 1.551 -6.171 4.267) 7.661 3.061 ( -5.387 1.357 10.499) 11.878 3.162 ( -1.504 -0.194 -6.484) 6.659 3.197 ( -9.655 1.084 -3.156) 10.215 3.397 ( 2.872 -5.559 -6.769) 9.218 3.448 ( -0.189 5.557 -12.213) 13.419 3.609 ( 5.586 5.029 -6.930) 10.223 3.666 ( 3.500 -4.810 -4.475) 7.444 3.721 ( 0.161 -7.190 -0.539) 7.212 4.293 ( 2.946 0.281 -0.576) 3.015 4.435 ( -9.384 -0.846 4.378) 10.390 4.629 ( -6.902 3.250 -0.265) 7.634 4.818 ( -1.166 -8.368 7.958) 11.607 4.883 ( 1.095 4.734 -0.680) 4.907 5.147 ( 2.986 -0.714 -4.014) 5.054 5.231 ( 2.083 3.401 1.710) 4.339 5.423 ( -8.914 -1.130 3.545) 9.660 5.635 ( -0.195 -0.901 0.170) 0.937 5.708 ( 0.536 -2.528 -1.050) 2.790 5.852 ( 2.084 5.471 -0.684) 5.895 6.009 ( -4.744 0.501 -1.658) 5.050 6.541 ( 4.816 9.283 -0.742) 10.485 7.014 ( -4.164 11.405 7.317) 14.176 7.130 ( 9.407 8.503 -5.246) 13.723 7.450 ( 4.030 10.391 -2.031) 11.329 7.514 ( 2.697 0.948 -0.906) 2.999 7.951 ( -0.121 -5.399 2.229) 5.842 8.355 ( 1.552 0.111 -1.788) 2.370 8.412 ( -7.344 12.804 7.017) 16.344 8.786 ( 5.782 -0.971 -3.919) 7.052 9.157 ( 9.674 0.473 2.537) 10.013 9.394 ( 6.043 0.120 -4.441) 7.500 9.499 ( -5.243 2.199 -0.220) 5.690 9.708 ( -14.143 -5.139 1.651) 15.138 9.788 ( -1.056 3.567 -2.008) 4.228 10.287 ( -4.668 -5.155 -2.046) 7.249 10.509 ( -8.973 -5.921 0.711) 10.774 11.642 ( 12.147 3.207 -2.880) 12.889 12.005 ( 12.130 -5.739 0.474) 13.428 12.083 ( 5.991 0.957 5.033) 7.882 12.154 ( -0.092 -1.836 2.169) 2.843 15.588 ( -3.650 8.994 1.637) 9.844 15.739 ( -0.984 3.449 11.894) 12.423 15.847 ( -9.658 9.057 0.946) 13.274 15.921 ( -9.470 6.827 1.484) 11.768 16.150 ( 5.857 -5.194 0.431) 7.841 16.334 ( 7.645 -5.811 -1.758) 9.762 16.514 ( -0.557 -3.302 -11.647) 12.119 16.545 ( -1.859 -1.267 -3.191) 3.905 19.185 ( 2.671 0.565 3.284) 4.271 19.276 ( 2.143 -0.193 3.057) 3.738 20.084 ( -1.137 0.509 -2.120) 2.459 20.138 ( -1.473 1.079 -1.785) 2.554 ======================= Grid point 317 (147/160) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 10.845 0.705 -3.873) 11.537 2.062 ( 12.190 6.892 -3.101) 14.343 2.261 ( -7.962 -4.717 -6.136) 11.104 2.430 ( -10.255 0.882 2.461) 10.583 2.604 ( 1.880 0.379 2.908) 3.484 2.692 ( -0.210 -0.206 6.017) 6.024 2.858 ( 2.675 -0.648 1.694) 3.232 2.876 ( -4.484 -4.481 2.023) 6.654 2.954 ( -8.392 3.741 -5.976) 10.961 3.023 ( -8.506 2.183 3.557) 9.475 3.087 ( 2.007 0.810 -4.308) 4.821 3.299 ( -5.740 0.401 -3.123) 6.547 3.428 ( 10.463 -10.322 -1.626) 14.788 3.647 ( 3.514 -5.920 -2.555) 7.343 3.706 ( -2.938 -10.375 1.864) 10.943 3.908 ( 23.909 0.640 -3.697) 24.201 4.076 ( -15.365 -10.764 -3.229) 19.036 4.522 ( 3.497 0.739 6.534) 7.448 4.550 ( -3.528 3.649 0.541) 5.104 4.823 ( -9.596 -5.866 3.965) 11.925 4.916 ( 0.109 -0.449 -1.726) 1.787 5.026 ( -0.139 -0.045 -5.001) 5.003 5.272 ( 0.007 7.956 3.200) 8.575 5.423 ( 0.055 5.636 0.831) 5.697 5.631 ( -0.476 0.544 0.568) 0.920 5.690 ( 0.367 -0.984 0.055) 1.052 5.839 ( -0.838 5.890 -2.373) 6.405 5.909 ( -3.406 4.568 -3.047) 6.462 6.706 ( 9.569 8.926 6.719) 14.710 7.042 ( -3.239 11.704 8.883) 15.046 7.173 ( 5.253 9.729 -8.543) 13.973 7.286 ( -7.685 11.041 -8.673) 16.006 7.693 ( 7.049 -1.226 3.865) 8.132 7.926 ( -2.891 -6.302 -2.040) 7.228 8.332 ( -2.548 6.096 3.793) 7.618 8.396 ( -0.731 8.975 -0.829) 9.043 8.915 ( 11.418 -3.908 -0.103) 12.069 9.360 ( 4.221 -1.977 -6.459) 7.965 9.375 ( -1.090 0.292 4.862) 4.991 9.477 ( 1.376 2.894 2.645) 4.155 9.526 ( -7.314 -1.088 2.927) 7.953 9.727 ( -1.037 -0.192 -5.092) 5.200 10.201 ( -1.322 -4.321 -2.447) 5.139 10.349 ( -9.841 -5.979 0.259) 11.518 11.829 ( 10.896 2.330 0.178) 11.144 12.106 ( -2.507 -1.182 -0.710) 2.861 12.197 ( 4.356 -3.098 2.012) 5.711 12.212 ( 3.650 -0.184 2.258) 4.295 15.551 ( -1.506 12.946 0.669) 13.050 15.683 ( -8.112 13.422 -0.948) 15.712 15.839 ( -3.124 2.200 9.458) 10.201 15.862 ( -2.699 2.385 4.010) 5.390 16.210 ( 1.670 -0.723 -1.058) 2.106 16.326 ( 0.432 2.715 -10.965) 11.305 16.444 ( 6.942 -5.166 -3.379) 9.290 16.544 ( -0.622 -6.468 1.480) 6.664 19.258 ( 1.940 -0.837 2.300) 3.123 19.321 ( -0.247 -1.596 1.452) 2.172 20.058 ( 0.262 1.408 -0.889) 1.686 20.098 ( -1.267 1.600 -1.116) 2.326 ======================= Grid point 318 (148/160) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -10.074 -4.927 -2.028) 11.396 2.016 ( 10.074 -4.927 2.028) 11.396 2.279 ( -5.056 2.482 0.513) 5.656 2.279 ( 5.056 2.482 -0.513) 5.656 2.662 ( 0.614 5.858 -2.429) 6.371 2.662 ( -0.614 5.858 2.429) 6.371 2.840 ( -2.679 -0.556 -0.670) 2.817 2.840 ( 2.679 -0.556 0.670) 2.817 2.942 ( -4.909 -1.684 0.525) 5.217 2.942 ( 4.909 -1.684 -0.525) 5.217 3.143 ( -5.336 1.055 -2.526) 5.997 3.143 ( 5.336 1.055 2.526) 5.997 3.669 ( 2.189 -10.415 -5.296) 11.887 3.669 ( -2.189 -10.415 5.296) 11.887 3.709 ( -14.123 -11.885 -3.139) 18.724 3.709 ( 14.123 -11.885 3.139) 18.724 4.355 ( -22.655 -0.579 0.307) 22.665 4.355 ( 22.655 -0.579 -0.307) 22.665 4.633 ( -3.621 -2.526 -2.609) 5.128 4.633 ( 3.621 -2.526 2.609) 5.128 4.980 ( -1.198 3.611 -1.194) 3.988 4.980 ( 1.198 3.611 1.194) 3.988 5.349 ( -1.970 5.568 -5.465) 8.047 5.349 ( 1.970 5.568 5.465) 8.047 5.679 ( -0.707 0.515 -2.796) 2.930 5.679 ( 0.707 0.515 2.796) 2.930 5.828 ( -1.634 6.857 -1.896) 7.299 5.828 ( 1.634 6.857 1.896) 7.299 6.986 ( -10.297 5.650 -8.412) 14.447 6.986 ( 10.297 5.650 8.412) 14.447 7.130 ( 1.629 14.210 -6.641) 15.770 7.130 ( -1.629 14.210 6.641) 15.770 7.829 ( -1.166 -3.402 -5.573) 6.632 7.829 ( 1.166 -3.402 5.573) 6.632 8.361 ( 2.761 7.869 -6.375) 10.497 8.361 ( -2.761 7.869 6.375) 10.497 9.143 ( -12.003 -5.070 -2.963) 13.363 9.143 ( 12.003 -5.070 2.963) 13.363 9.470 ( 0.106 5.014 -3.064) 5.877 9.470 ( -0.106 5.014 3.064) 5.877 9.616 ( -4.672 -2.956 -5.872) 8.065 9.616 ( 4.672 -2.956 5.872) 8.065 10.213 ( -5.885 -4.941 1.470) 7.824 10.213 ( 5.885 -4.941 -1.470) 7.824 12.000 ( -6.592 0.930 -1.784) 6.892 12.000 ( 6.592 0.930 1.784) 6.892 12.255 ( 1.028 -1.548 -1.638) 2.478 12.255 ( -1.028 -1.548 1.638) 2.478 15.573 ( -2.913 13.751 -1.167) 14.105 15.573 ( 2.913 13.751 1.167) 14.105 15.868 ( 2.562 1.593 -4.591) 5.493 15.868 ( -2.562 1.593 4.591) 5.493 16.235 ( 1.171 2.915 -6.086) 6.849 16.235 ( -1.171 2.915 6.086) 6.849 16.521 ( 2.796 -5.916 -2.334) 6.947 16.521 ( -2.796 -5.916 2.334) 6.947 19.307 ( -1.270 -1.957 -0.857) 2.485 19.307 ( 1.270 -1.957 0.857) 2.485 20.068 ( -1.086 1.852 -0.338) 2.174 20.068 ( 1.086 1.852 0.338) 2.174 ======================= Grid point 324 (149/160) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.453 4.598 -8.371) 9.562 2.073 ( -0.453 4.598 8.371) 9.562 2.199 ( 2.656 4.330 -10.031) 11.244 2.199 ( -2.656 4.330 10.031) 11.244 2.639 ( -0.640 -5.848 -2.436) 6.367 2.639 ( 0.640 -5.848 2.436) 6.367 2.724 ( -0.563 -2.966 -2.473) 3.903 2.724 ( 0.563 -2.966 2.473) 3.903 3.113 ( -4.975 -7.117 -2.715) 9.099 3.113 ( 4.975 -7.117 2.715) 9.099 3.279 ( 2.027 -4.405 -3.158) 5.786 3.279 ( -2.027 -4.405 3.158) 5.786 4.208 ( -3.430 24.300 -18.149) 30.523 4.208 ( 3.430 24.300 18.149) 30.523 4.300 ( -4.324 3.621 -1.445) 5.822 4.300 ( 4.324 3.621 1.445) 5.822 4.486 ( -5.817 5.027 -5.906) 9.695 4.486 ( 5.817 5.027 5.906) 9.695 4.635 ( -0.971 5.803 -5.731) 8.213 4.635 ( 0.971 5.803 5.731) 8.213 4.902 ( 6.692 -0.521 -5.705) 8.809 4.902 ( -6.692 -0.521 5.705) 8.809 5.260 ( -1.048 -15.462 -7.156) 17.070 5.260 ( 1.048 -15.462 7.156) 17.070 5.466 ( -0.665 -6.034 -3.197) 6.861 5.466 ( 0.665 -6.034 3.197) 6.861 6.104 ( -12.194 5.868 -4.696) 14.324 6.104 ( 12.194 5.868 4.696) 14.324 6.391 ( -12.837 -5.261 3.221) 14.242 6.391 ( 12.837 -5.261 -3.221) 14.242 7.280 ( -1.402 5.385 -4.259) 7.007 7.280 ( 1.402 5.385 4.259) 7.007 7.664 ( 1.794 -5.204 -2.477) 6.036 7.664 ( -1.794 -5.204 2.477) 6.036 8.572 ( 0.306 7.516 -7.986) 10.971 8.572 ( -0.306 7.516 7.986) 10.971 9.067 ( 1.059 11.277 -7.193) 13.418 9.067 ( -1.059 11.277 7.193) 13.418 9.518 ( -2.796 -0.959 -13.237) 13.563 9.518 ( 2.796 -0.959 13.237) 13.563 10.040 ( 3.819 -3.534 -7.875) 9.438 10.040 ( -3.819 -3.534 7.875) 9.438 10.364 ( 1.706 -7.498 -8.055) 11.136 10.364 ( -1.706 -7.498 8.055) 11.136 11.614 ( 0.988 2.921 -8.755) 9.283 11.614 ( -0.988 2.921 8.755) 9.283 11.721 ( -0.607 -0.714 -8.900) 8.950 11.721 ( 0.607 -0.714 8.900) 8.950 15.549 ( -2.226 -5.447 -0.233) 5.888 15.549 ( 2.226 -5.447 0.233) 5.888 15.705 ( -0.994 -1.463 -0.727) 1.912 15.705 ( 0.994 -1.463 0.727) 1.912 16.470 ( -0.986 1.699 -1.909) 2.739 16.470 ( 0.986 1.699 1.909) 2.739 16.789 ( -5.402 2.906 -0.668) 6.170 16.789 ( 5.402 2.906 0.668) 6.170 19.014 ( -1.217 -0.027 -1.185) 1.699 19.014 ( 1.217 -0.027 1.185) 1.699 20.227 ( -0.245 -0.159 -0.576) 0.646 20.227 ( 0.245 -0.159 0.576) 0.646 ======================= Grid point 326 (150/160) ======================= q-point: ( 0.10 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 5.510 8.168 -4.034) 10.647 2.116 ( 3.196 9.237 -9.002) 13.288 2.245 ( 4.421 -0.075 8.658) 9.722 2.286 ( -1.451 3.133 10.547) 11.098 2.582 ( -2.731 -6.073 -1.464) 6.818 2.629 ( -2.590 -3.249 -0.181) 4.158 2.724 ( -2.021 -6.233 4.882) 8.171 2.771 ( -2.272 -4.402 6.970) 8.551 2.981 ( -3.098 -4.572 -6.493) 8.524 3.163 ( 3.799 -7.667 -9.158) 12.533 3.263 ( -3.424 -3.671 2.393) 5.561 3.312 ( 1.007 -4.496 5.804) 7.411 3.893 ( -3.027 17.176 -18.588) 25.489 4.028 ( -13.131 7.893 -5.569) 16.302 4.180 ( -10.264 6.654 -10.745) 16.281 4.260 ( -3.100 9.258 -10.316) 14.203 4.416 ( -6.138 6.014 9.466) 12.785 4.558 ( -0.717 1.851 -4.643) 5.050 4.689 ( 4.512 9.282 0.528) 10.334 4.804 ( 3.306 3.052 7.629) 8.857 4.875 ( -0.711 4.115 8.915) 9.845 4.974 ( 4.951 0.493 0.087) 4.976 5.212 ( -0.516 -13.489 -4.656) 14.279 5.392 ( -0.238 -12.333 6.297) 13.849 5.432 ( 4.281 -2.203 -2.652) 5.496 5.539 ( 4.992 -7.749 4.219) 10.137 5.889 ( -7.722 6.836 -0.498) 10.326 6.170 ( -11.267 -5.609 3.236) 12.995 6.442 ( 14.330 3.161 3.540) 15.095 6.567 ( 13.809 -2.442 -4.932) 14.865 7.238 ( 0.534 7.504 -0.376) 7.532 7.373 ( 1.800 2.555 4.769) 5.702 7.690 ( 3.582 -2.898 0.544) 4.639 7.720 ( 4.622 -3.920 0.302) 6.068 8.451 ( -1.783 9.777 -9.157) 13.513 8.623 ( -1.999 2.712 2.965) 4.488 9.008 ( 1.155 6.639 -3.730) 7.702 9.112 ( -4.902 15.373 6.824) 17.519 9.332 ( -1.408 -3.256 -9.615) 10.249 9.720 ( 0.426 -4.391 12.022) 12.806 9.907 ( -5.945 0.861 -6.465) 8.825 9.987 ( -6.718 -0.700 1.174) 6.856 10.316 ( -0.744 -6.650 -3.112) 7.380 10.460 ( -1.199 -8.870 8.275) 12.190 11.544 ( 6.193 3.315 -10.714) 12.811 11.617 ( 6.889 -0.483 -10.062) 12.204 11.774 ( 2.871 2.751 8.751) 9.612 11.882 ( 4.077 -2.242 8.350) 9.558 15.558 ( 2.110 -1.326 2.244) 3.354 15.612 ( 4.044 -3.800 -0.163) 5.551 15.721 ( 1.256 -2.182 3.894) 4.637 15.788 ( 5.187 -5.176 3.481) 8.113 16.379 ( -4.778 5.143 -4.044) 8.102 16.491 ( 0.754 1.511 -2.330) 2.877 16.635 ( -10.459 4.253 -0.339) 11.295 16.809 ( -2.790 -1.507 -1.152) 3.374 19.025 ( 2.662 1.175 1.049) 3.093 19.087 ( 3.955 -0.750 2.445) 4.710 20.199 ( -1.219 0.301 -1.795) 2.190 20.222 ( -0.612 -0.427 -0.904) 1.172 ======================= Grid point 327 (151/160) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 3.774 11.175 -10.832) 16.014 2.119 ( 5.511 12.915 -4.017) 14.605 2.360 ( -0.590 -0.512 8.314) 8.351 2.436 ( 2.608 -0.517 6.438) 6.965 2.507 ( -4.159 -6.347 -0.830) 7.634 2.628 ( -0.196 -1.344 4.981) 5.163 2.665 ( -5.888 -6.936 0.548) 9.115 2.832 ( -3.293 -5.396 -1.615) 6.524 2.900 ( -1.359 -3.285 10.991) 11.551 3.087 ( 2.336 -9.847 -11.007) 14.952 3.247 ( -1.306 -0.769 2.448) 2.879 3.387 ( -1.422 -3.194 5.559) 6.567 3.665 ( -5.262 8.149 -8.397) 12.830 3.796 ( -3.910 3.927 -11.073) 12.382 3.849 ( -12.400 5.416 -9.642) 16.615 4.025 ( -3.962 11.844 -13.121) 18.115 4.409 ( -10.065 -11.713 3.713) 15.884 4.454 ( -0.308 12.674 -2.571) 12.936 4.698 ( -3.898 2.125 4.470) 6.300 4.804 ( 0.280 3.220 -2.581) 4.136 4.963 ( -7.619 -3.307 0.215) 8.308 5.078 ( 6.199 -3.106 -3.567) 7.797 5.183 ( 5.744 3.940 5.683) 8.990 5.403 ( -4.333 -6.344 5.074) 9.207 5.552 ( 8.289 -1.156 -0.412) 8.379 5.642 ( 1.508 -4.111 -0.720) 4.438 5.865 ( 1.747 4.426 4.177) 6.331 6.050 ( -5.276 -3.872 1.340) 6.680 6.634 ( 9.092 5.433 -3.074) 11.028 6.835 ( 15.972 -2.178 3.976) 16.603 7.278 ( 2.937 8.055 0.822) 8.613 7.444 ( 1.642 1.420 2.523) 3.329 7.741 ( 2.325 5.032 -3.383) 6.494 7.815 ( 3.950 -2.310 2.180) 5.069 8.344 ( 0.989 4.624 -4.602) 6.598 8.570 ( -3.677 -1.754 -2.615) 4.841 9.030 ( -0.718 10.709 1.301) 10.811 9.053 ( -3.828 8.319 2.836) 9.586 9.266 ( 3.005 -5.301 -4.344) 7.483 9.686 ( -8.774 -5.006 -1.808) 10.262 9.774 ( -7.649 0.047 1.795) 7.857 9.957 ( -1.071 7.138 3.764) 8.141 10.240 ( -3.754 -6.105 -2.430) 7.568 10.472 ( -5.947 -8.597 3.542) 11.037 11.584 ( 10.622 3.704 -7.007) 13.253 11.698 ( 13.197 -2.455 -5.266) 14.420 11.941 ( 4.971 1.944 7.103) 8.885 12.032 ( 3.391 -2.507 5.385) 6.840 15.654 ( 2.572 1.636 4.515) 5.447 15.693 ( 4.057 3.340 4.127) 6.681 15.822 ( 4.787 -5.927 3.175) 8.254 15.951 ( 7.513 -7.686 3.374) 11.265 16.220 ( -6.846 8.144 -3.652) 11.249 16.401 ( -10.502 10.063 0.719) 14.563 16.495 ( -0.388 -4.500 -6.134) 7.617 16.690 ( -6.357 -3.157 -3.960) 8.127 19.111 ( 4.080 1.439 2.332) 4.915 19.187 ( 3.470 -0.943 2.782) 4.546 20.149 ( -1.381 0.854 -2.428) 2.921 20.189 ( -1.175 -0.412 -1.681) 2.092 ======================= Grid point 328 (152/160) ======================= q-point: ( 0.30 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.430 10.113 -9.665) 13.995 2.150 ( 4.689 9.702 -5.206) 11.968 2.354 ( -6.455 -4.728 -4.806) 9.334 2.470 ( 1.573 -0.170 8.784) 8.925 2.538 ( -3.035 -4.466 -0.202) 5.404 2.560 ( -0.018 -5.669 0.521) 5.693 2.740 ( 3.619 -2.571 2.611) 5.150 2.787 ( -0.471 4.072 6.014) 7.278 2.999 ( 3.321 -10.061 -10.273) 14.757 3.045 ( -2.718 -4.441 14.044) 14.978 3.245 ( -5.079 2.492 3.218) 6.509 3.384 ( -4.549 -0.010 1.972) 4.958 3.479 ( -8.053 1.062 -7.128) 10.807 3.548 ( -8.770 1.076 -4.547) 9.937 3.605 ( -2.047 -3.504 -8.361) 9.294 3.894 ( 1.259 7.615 -7.644) 10.864 4.170 ( -12.394 -6.158 -4.345) 14.506 4.481 ( 1.212 5.240 2.177) 5.803 4.709 ( -3.753 -3.527 4.006) 6.525 4.732 ( -5.653 2.239 1.307) 6.219 4.897 ( 5.265 -0.184 -4.639) 7.020 5.074 ( 1.519 -3.011 -5.611) 6.546 5.366 ( 3.202 5.729 5.538) 8.587 5.427 ( 0.070 1.354 7.780) 7.897 5.620 ( 1.467 -0.849 -1.370) 2.179 5.639 ( 1.374 -3.260 -2.765) 4.490 5.937 ( 1.941 2.769 -0.024) 3.382 6.008 ( -0.971 -0.676 -0.591) 1.323 6.758 ( 8.393 10.961 -0.391) 13.811 7.100 ( 8.112 -1.913 2.788) 8.788 7.329 ( 2.080 8.699 0.280) 8.949 7.515 ( 4.985 -0.440 0.957) 5.095 7.692 ( -0.867 9.316 -5.221) 10.714 7.858 ( -1.227 -2.649 -0.043) 2.920 8.370 ( 4.070 1.473 -1.295) 4.518 8.511 ( 0.374 -2.510 1.103) 2.767 8.929 ( -7.046 13.460 1.779) 15.297 9.167 ( 7.866 0.659 2.428) 8.259 9.307 ( 5.240 -5.472 -1.383) 7.702 9.496 ( -10.979 -8.417 -1.202) 13.886 9.680 ( -4.374 7.636 0.508) 8.815 9.930 ( -4.420 7.062 -1.005) 8.392 10.151 ( -3.858 -6.725 -1.069) 7.826 10.359 ( -8.165 -8.061 -0.828) 11.503 11.723 ( 11.486 4.230 -2.344) 12.462 11.899 ( 12.733 -4.340 -0.636) 13.467 12.100 ( 4.530 0.511 4.991) 6.759 12.122 ( 1.220 -1.103 3.005) 3.425 15.739 ( 1.569 4.953 4.274) 6.728 15.827 ( 0.423 5.184 9.145) 10.520 15.934 ( 4.702 -5.013 -0.692) 6.908 15.980 ( -4.055 3.973 -3.684) 6.768 16.197 ( 0.366 1.386 5.385) 5.572 16.249 ( -3.006 3.839 0.963) 4.970 16.421 ( 1.808 -3.691 -8.195) 9.168 16.533 ( -4.625 -1.528 -5.529) 7.368 19.196 ( 2.314 0.653 2.052) 3.161 19.259 ( 1.434 -1.500 1.892) 2.808 20.104 ( -0.475 1.393 -1.901) 2.404 20.150 ( -1.014 -0.066 -1.453) 1.773 ======================= Grid point 329 (153/160) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.855 3.090 -4.778) 5.754 2.085 ( -8.855 -5.372 -2.379) 10.627 2.248 ( 5.507 4.039 -7.036) 9.805 2.402 ( -5.384 -3.391 -3.324) 7.178 2.623 ( 5.866 1.760 4.873) 7.826 2.681 ( 6.669 -0.985 5.281) 8.563 2.799 ( 1.645 -1.462 1.055) 2.441 2.878 ( 0.638 2.894 2.603) 3.944 2.966 ( 1.029 -4.089 -4.541) 6.197 3.062 ( -8.291 1.611 3.479) 9.135 3.129 ( -7.380 3.542 0.004) 8.186 3.257 ( -7.578 -3.405 -1.675) 8.475 3.324 ( 0.504 0.294 -0.089) 0.590 3.501 ( 1.590 -5.829 -0.086) 6.043 3.540 ( -1.706 -5.718 -0.026) 5.967 3.727 ( -13.726 -14.008 -2.637) 19.789 4.076 ( 9.571 7.597 -4.217) 12.927 4.520 ( -4.132 -6.427 1.896) 7.873 4.627 ( -5.679 0.983 0.469) 5.782 4.665 ( -2.364 0.522 -0.154) 2.426 4.979 ( 6.954 4.439 -0.897) 8.298 5.069 ( 2.194 1.662 -0.747) 2.852 5.413 ( -0.059 5.467 1.180) 5.594 5.529 ( -0.329 4.057 -0.306) 4.082 5.607 ( 1.075 -2.973 0.848) 3.273 5.652 ( 1.603 -1.742 1.749) 2.943 5.935 ( 0.252 3.356 -1.930) 3.879 5.979 ( -0.880 1.701 -1.991) 2.763 6.910 ( 7.184 9.873 3.099) 12.597 7.169 ( 0.096 0.255 -1.809) 1.830 7.362 ( 1.589 9.525 0.563) 9.673 7.556 ( -3.980 10.082 -3.511) 11.393 7.664 ( 6.789 -1.755 -1.142) 7.105 7.812 ( -2.527 -3.762 -0.174) 4.535 8.438 ( 4.335 4.827 0.869) 6.546 8.558 ( -1.352 3.327 3.225) 4.827 8.895 ( 3.382 3.990 0.034) 5.231 9.255 ( -10.879 -7.186 -2.611) 13.297 9.355 ( 8.771 -1.392 3.971) 9.728 9.427 ( 3.647 -5.178 3.387) 7.182 9.625 ( -1.670 8.523 -1.575) 8.826 9.803 ( -6.209 5.141 -4.231) 9.104 10.088 ( -1.466 -5.780 -1.217) 6.086 10.203 ( -7.845 -7.461 -1.053) 10.878 11.896 ( 9.380 3.769 0.254) 10.112 12.060 ( 4.427 -3.319 -0.310) 5.541 12.162 ( 1.565 0.040 1.850) 2.423 12.203 ( 1.864 -0.834 2.632) 3.332 15.802 ( 1.080 9.412 1.497) 9.591 15.874 ( -3.699 3.264 2.415) 5.493 15.906 ( -5.574 5.135 4.491) 8.809 15.921 ( 0.886 2.262 -2.495) 3.482 16.224 ( 1.251 2.562 3.363) 4.409 16.347 ( 5.033 -4.003 0.291) 6.437 16.373 ( 1.597 0.488 -6.331) 6.548 16.419 ( -1.342 -3.754 -2.457) 4.683 19.240 ( 0.873 -0.658 1.191) 1.617 19.280 ( -0.485 -2.154 0.441) 2.251 20.091 ( 0.630 1.642 -0.682) 1.887 20.122 ( -0.746 0.598 -0.780) 1.234 ======================= Grid point 330 (154/160) ======================= q-point: (-0.50 0.38 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -6.034 -4.156 -1.146) 7.416 1.913 ( 6.034 -4.156 1.146) 7.416 2.299 ( -3.398 -0.514 0.701) 3.508 2.299 ( 3.398 -0.514 -0.701) 3.508 2.779 ( -6.377 4.755 0.878) 8.003 2.779 ( 6.377 4.755 -0.878) 8.003 2.848 ( -2.227 1.137 -1.017) 2.700 2.848 ( 2.227 1.137 1.017) 2.700 2.924 ( -7.449 -0.442 0.425) 7.474 2.924 ( 7.449 -0.442 -0.425) 7.474 3.139 ( -5.020 -0.555 0.164) 5.054 3.139 ( 5.020 -0.555 -0.164) 5.054 3.443 ( -7.340 -9.085 -2.205) 11.886 3.443 ( 7.340 -9.085 2.205) 11.886 3.538 ( -1.846 -4.973 -2.193) 5.740 3.538 ( 1.846 -4.973 2.193) 5.740 4.297 ( -15.701 -4.602 -0.970) 16.390 4.297 ( 15.701 -4.602 0.970) 16.390 4.638 ( -1.008 2.701 -1.032) 3.062 4.638 ( 1.008 2.701 1.032) 3.062 5.069 ( -2.742 3.890 -0.012) 4.759 5.069 ( 2.742 3.890 0.012) 4.759 5.446 ( -0.984 3.143 -3.727) 4.973 5.446 ( 0.984 3.143 3.727) 4.973 5.671 ( -0.907 -0.869 -1.146) 1.701 5.671 ( 0.907 -0.869 1.146) 1.701 5.937 ( -1.036 3.349 -1.161) 3.693 5.937 ( 1.036 3.349 1.161) 3.693 7.071 ( -5.032 2.747 -5.489) 7.937 7.071 ( 5.032 2.747 5.489) 7.937 7.433 ( -3.341 12.945 -4.244) 14.027 7.433 ( 3.341 12.945 4.244) 14.027 7.761 ( -3.226 -3.534 -0.493) 4.810 7.761 ( 3.226 -3.534 0.493) 4.810 8.521 ( 2.185 6.685 -4.937) 8.593 8.521 ( -2.185 6.685 4.937) 8.593 9.037 ( -8.997 -4.439 -2.358) 10.305 9.037 ( 8.997 -4.439 2.358) 10.305 9.498 ( -0.012 -2.626 -2.155) 3.398 9.498 ( 0.012 -2.626 2.155) 3.398 9.637 ( -5.332 5.184 -3.319) 8.144 9.637 ( 5.332 5.184 3.319) 8.144 10.094 ( -2.652 -5.853 0.089) 6.426 10.094 ( 2.652 -5.853 -0.089) 6.426 12.031 ( -4.019 1.697 -1.489) 4.610 12.031 ( 4.019 1.697 1.489) 4.610 12.219 ( 0.064 -1.663 -1.240) 2.076 12.219 ( -0.064 -1.663 1.240) 2.076 15.826 ( -0.082 8.564 -0.944) 8.616 15.826 ( 0.082 8.564 0.944) 8.616 15.907 ( 1.540 2.599 -4.263) 5.225 15.907 ( -1.540 2.599 4.263) 5.225 16.293 ( -0.346 1.726 -5.942) 6.197 16.293 ( 0.346 1.726 5.942) 6.197 16.407 ( 3.264 -3.966 -3.692) 6.326 16.407 ( -3.264 -3.966 3.692) 6.326 19.264 ( -0.786 -1.878 -0.619) 2.128 19.264 ( 0.786 -1.878 0.619) 2.128 20.103 ( -0.855 1.314 -0.206) 1.581 20.103 ( 0.855 1.314 0.206) 1.581 ======================= Grid point 336 (155/160) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 0.000 0.000 -0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.242 ( -0.000 0.000 0.000) 0.000 2.242 ( -0.000 -0.000 0.000) 0.000 2.572 ( 0.000 0.000 -0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.718 ( -0.000 -0.000 -0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 -0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 -0.000) 0.000 3.233 ( -0.000 0.000 0.000) 0.000 4.306 ( -0.000 0.000 0.000) 0.000 4.306 ( -0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 -0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.731 ( -0.000 -0.000 -0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 -0.000 -0.000) 0.000 4.739 ( 0.000 -0.000 0.000) 0.000 4.848 ( -0.000 0.000 0.000) 0.000 4.848 ( -0.000 0.000 0.000) 0.000 4.926 ( -0.000 -0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.398 ( -0.000 0.000 0.000) 0.000 5.398 ( -0.000 0.000 0.000) 0.000 6.194 ( -0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.310 ( -0.000 0.000 0.000) 0.000 7.343 ( -0.000 0.000 0.000) 0.000 7.343 ( -0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.600 ( -0.000 0.000 0.000) 0.000 8.642 ( 0.000 0.000 0.000) 0.000 8.642 ( 0.000 0.000 0.000) 0.000 9.302 ( -0.000 0.000 -0.000) 0.000 9.302 ( -0.000 0.000 0.000) 0.000 9.403 ( 0.000 0.000 -0.000) 0.000 9.403 ( 0.000 -0.000 0.000) 0.000 10.027 ( 0.000 0.000 0.000) 0.000 10.027 ( 0.000 0.000 0.000) 0.000 10.263 ( -0.000 0.000 -0.000) 0.000 10.263 ( -0.000 0.000 0.000) 0.000 11.651 ( 0.000 -0.000 -0.000) 0.000 11.651 ( 0.000 0.000 -0.000) 0.000 11.708 ( -0.000 0.000 0.000) 0.000 11.708 ( 0.000 0.000 0.000) 0.000 15.489 ( -0.000 0.000 0.000) 0.000 15.489 ( 0.000 0.000 0.000) 0.000 15.692 ( 0.000 0.000 0.000) 0.000 15.692 ( 0.000 0.000 0.000) 0.000 16.486 ( -0.000 0.000 0.000) 0.000 16.486 ( -0.000 0.000 0.000) 0.000 16.820 ( 0.000 0.000 0.000) 0.000 16.820 ( -0.000 0.000 0.000) 0.000 19.014 ( -0.000 0.000 0.000) 0.000 19.014 ( 0.000 0.000 0.000) 0.000 20.225 ( 0.000 0.000 0.000) 0.000 20.225 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 340 (156/160) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 4.814 -4.239 1.218) 6.529 2.174 ( 4.814 4.239 1.218) 6.529 2.279 ( 1.360 -4.158 4.382) 6.192 2.279 ( 1.360 4.158 4.382) 6.192 2.559 ( -2.025 -4.030 0.889) 4.596 2.559 ( -2.025 4.030 0.889) 4.596 2.681 ( -4.182 -3.085 1.340) 5.367 2.681 ( -4.182 3.085 1.340) 5.367 3.014 ( 2.211 -5.965 -6.934) 9.410 3.014 ( 2.211 5.965 -6.934) 9.410 3.243 ( -1.232 -1.602 4.873) 5.275 3.243 ( -1.232 1.602 4.873) 5.275 4.085 ( -9.694 -3.110 -11.691) 15.503 4.085 ( -9.694 3.110 -11.691) 15.503 4.309 ( -12.212 -5.920 -6.921) 15.235 4.309 ( -12.212 5.920 -6.921) 15.235 4.601 ( -4.130 -13.912 -2.012) 14.651 4.601 ( -4.130 13.912 -2.012) 14.651 4.826 ( 3.968 -6.063 -5.508) 9.102 4.826 ( 3.968 6.063 -5.508) 9.102 4.926 ( 0.148 -1.854 2.782) 3.346 4.926 ( 0.148 1.854 2.782) 3.346 5.117 ( 7.017 -12.974 12.857) 19.567 5.117 ( 7.017 12.974 12.857) 19.567 5.428 ( 4.955 -2.191 0.509) 5.442 5.428 ( 4.955 2.191 0.509) 5.442 6.037 ( -9.733 -6.851 1.454) 11.991 6.037 ( -9.733 6.851 1.454) 11.991 6.509 ( 14.819 -3.030 -0.897) 15.152 6.509 ( 14.819 3.030 -0.897) 15.152 7.359 ( 0.016 -3.658 2.696) 4.544 7.359 ( 0.016 3.658 2.696) 4.544 7.665 ( 6.297 -1.075 0.838) 6.443 7.665 ( 6.297 1.075 0.838) 6.443 8.602 ( -1.497 -4.117 -5.193) 6.794 8.602 ( -1.497 4.117 -5.193) 6.794 9.183 ( -1.923 -9.191 -7.828) 12.225 9.183 ( -1.923 9.191 -7.828) 12.225 9.468 ( -5.664 -16.245 10.565) 20.189 9.468 ( -5.664 16.245 10.565) 20.189 9.980 ( -0.544 -3.794 -4.921) 6.238 9.980 ( -0.544 3.794 -4.921) 6.238 10.289 ( -2.388 -5.526 5.862) 8.402 10.289 ( -2.388 5.526 5.862) 8.402 11.597 ( 6.070 -1.622 -10.083) 11.881 11.597 ( 6.070 1.622 -10.083) 11.881 11.831 ( 3.219 -2.580 8.341) 9.305 11.831 ( 3.219 2.580 8.341) 9.305 15.552 ( 6.517 -1.250 0.613) 6.665 15.552 ( 6.517 1.250 0.613) 6.665 15.721 ( 0.340 -1.569 4.381) 4.666 15.721 ( 0.340 1.569 4.381) 4.666 16.464 ( -0.176 -3.009 -3.723) 4.790 16.464 ( -0.176 3.009 -3.723) 4.790 16.742 ( -7.829 -4.701 -0.654) 9.156 16.742 ( -7.829 4.701 -0.654) 9.156 19.059 ( 3.377 -1.733 1.877) 4.235 19.059 ( 3.377 1.733 1.877) 4.235 20.210 ( -0.790 -0.651 -1.336) 1.683 20.210 ( -0.790 0.651 -1.336) 1.683 ======================= Grid point 342 (157/160) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 2.242 -5.943 -2.561) 6.848 2.239 ( 2.242 5.943 -2.561) 6.848 2.370 ( 1.988 -6.197 4.280) 7.789 2.370 ( 1.988 6.197 4.280) 7.789 2.509 ( -4.467 -5.216 -0.710) 6.904 2.509 ( -4.467 5.216 -0.710) 6.904 2.680 ( 0.499 -5.416 6.530) 8.498 2.680 ( 0.499 5.416 6.530) 8.498 2.931 ( -0.850 -4.760 -5.928) 7.650 2.931 ( -0.850 4.760 -5.928) 7.650 3.298 ( -0.795 -4.438 5.323) 6.975 3.298 ( -0.795 4.438 5.323) 6.975 3.806 ( -7.542 -2.948 -10.611) 13.348 3.806 ( -7.542 2.948 -10.611) 13.348 4.000 ( -14.038 -10.854 -5.835) 18.679 4.000 ( -14.038 10.854 -5.835) 18.679 4.487 ( -4.541 -13.317 -3.848) 14.586 4.487 ( -4.541 13.317 -3.848) 14.586 4.771 ( -2.886 -10.802 -2.614) 11.483 4.771 ( -2.886 10.802 -2.614) 11.483 4.955 ( 2.185 -7.852 -1.504) 8.288 4.955 ( 2.185 7.852 -1.504) 8.288 5.301 ( 2.114 -4.629 8.548) 9.948 5.301 ( 2.114 4.629 8.548) 9.948 5.564 ( 6.761 -2.599 -0.353) 7.252 5.564 ( 6.761 2.599 -0.353) 7.252 5.960 ( -2.012 -4.509 2.380) 5.482 5.960 ( -2.012 4.509 2.380) 5.482 6.753 ( 13.943 -5.300 0.199) 14.917 6.753 ( 13.943 5.300 0.199) 14.917 7.407 ( 1.522 -4.230 2.736) 5.263 7.407 ( 1.522 4.230 2.736) 5.263 7.793 ( 5.774 -0.779 0.589) 5.856 7.793 ( 5.774 0.779 0.589) 5.856 8.475 ( -2.508 -6.442 -7.499) 10.200 8.475 ( -2.508 6.442 -7.499) 10.200 9.122 ( 1.589 -4.932 -1.316) 5.346 9.122 ( 1.589 4.932 -1.316) 5.346 9.418 ( -10.079 -15.746 4.170) 19.155 9.418 ( -10.079 15.746 4.170) 19.155 9.926 ( -1.309 -8.374 -1.383) 8.588 9.926 ( -1.309 8.374 -1.383) 8.588 10.281 ( -5.145 -8.519 2.700) 10.312 10.281 ( -5.145 8.519 2.700) 10.312 11.650 ( 11.270 -2.515 -6.035) 13.029 11.650 ( 11.270 2.515 -6.035) 13.029 11.983 ( 4.009 -2.102 6.174) 7.656 11.983 ( 4.009 2.102 6.174) 7.656 15.699 ( 8.238 -2.636 0.966) 8.703 15.699 ( 8.238 2.636 0.966) 8.703 15.814 ( 2.422 -4.977 7.284) 9.148 15.814 ( 2.422 4.977 7.284) 9.148 16.378 ( -3.181 -6.573 -6.011) 9.458 16.378 ( -3.181 6.573 -6.011) 9.458 16.583 ( -7.956 -7.003 -1.090) 10.655 16.583 ( -7.956 7.003 -1.090) 10.655 19.151 ( 3.645 -2.136 2.359) 4.839 19.151 ( 3.645 2.136 2.359) 4.839 20.172 ( -1.076 -1.136 -1.976) 2.520 20.172 ( -1.076 1.136 -1.976) 2.520 ======================= Grid point 344 (158/160) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -6.067 -7.537 -5.383) 11.072 2.155 ( -6.067 7.537 -5.383) 11.072 2.399 ( 0.393 -7.499 -6.151) 9.707 2.399 ( 0.393 7.499 -6.151) 9.707 2.493 ( 2.515 -1.454 6.418) 7.045 2.493 ( 2.515 1.454 6.418) 7.045 2.781 ( 5.003 -6.496 -2.168) 8.481 2.781 ( 5.003 6.496 -2.168) 8.481 2.921 ( -0.487 -6.033 8.482) 10.420 2.921 ( -0.487 6.033 8.482) 10.420 3.317 ( -4.605 -4.167 4.191) 7.492 3.317 ( -4.605 4.167 4.191) 7.492 3.547 ( -7.246 -1.295 -9.660) 12.145 3.547 ( -7.246 1.295 -9.660) 12.145 3.708 ( -13.929 -13.233 -2.489) 19.373 3.708 ( -13.929 13.233 -2.489) 19.373 4.370 ( -2.773 -14.389 -4.419) 15.306 4.370 ( -2.773 14.389 -4.419) 15.306 4.713 ( -2.332 -4.516 -0.068) 5.083 4.713 ( -2.332 4.516 -0.068) 5.083 4.982 ( 4.123 -5.754 -1.682) 7.276 4.982 ( 4.123 5.754 -1.682) 7.276 5.440 ( 2.790 -1.298 7.205) 7.834 5.440 ( 2.790 1.298 7.205) 7.834 5.603 ( 1.567 -0.403 -3.364) 3.733 5.603 ( 1.567 0.403 -3.364) 3.733 5.982 ( 1.256 -1.717 -0.013) 2.127 5.982 ( 1.256 1.717 -0.013) 2.127 6.977 ( 10.615 -9.004 0.638) 13.934 6.977 ( 10.615 9.004 0.638) 13.934 7.465 ( 1.903 -4.287 1.810) 5.028 7.465 ( 1.903 4.287 1.810) 5.028 7.818 ( -0.890 -2.771 -3.346) 4.435 7.818 ( -0.890 2.771 -3.346) 4.435 8.428 ( 4.159 -3.990 -1.231) 5.894 8.428 ( 4.159 3.990 -1.231) 5.894 9.179 ( -0.699 -2.757 5.064) 5.808 9.179 ( -0.699 2.757 5.064) 5.808 9.270 ( -4.671 -8.512 -2.849) 10.119 9.270 ( -4.671 8.512 -2.849) 10.119 9.885 ( -3.142 -9.728 0.134) 10.224 9.885 ( -3.142 9.728 0.134) 10.224 10.182 ( -6.476 -8.170 -1.619) 10.551 10.182 ( -6.476 8.170 -1.619) 10.551 11.812 ( 11.787 -4.128 -1.534) 12.583 11.812 ( 11.787 4.128 -1.534) 12.583 12.107 ( 2.982 -0.377 4.186) 5.154 12.107 ( 2.982 0.377 4.186) 5.154 15.828 ( 3.375 -4.289 3.961) 6.743 15.828 ( 3.375 4.289 3.961) 6.743 15.948 ( 3.818 -5.282 2.335) 6.923 15.948 ( 3.818 5.282 2.335) 6.923 16.255 ( -3.279 -4.802 -1.244) 5.947 16.255 ( -3.279 4.802 -1.244) 5.947 16.460 ( -3.178 -5.258 -3.886) 7.270 16.460 ( -3.178 5.258 -3.886) 7.270 19.221 ( 1.604 -1.754 1.442) 2.780 19.221 ( 1.604 1.754 1.442) 2.780 20.135 ( -0.529 -1.268 -1.524) 2.052 20.135 ( -0.529 1.268 -1.524) 2.052 ======================= Grid point 346 (159/160) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -7.186 -5.268 -4.377) 9.927 1.964 ( -7.186 5.268 -4.377) 9.927 2.325 ( -0.446 -3.430 -5.107) 6.168 2.325 ( -0.446 3.430 -5.107) 6.168 2.659 ( 8.764 -1.229 3.761) 9.616 2.659 ( 8.764 1.229 3.761) 9.616 2.829 ( 5.392 -4.281 -3.265) 7.620 2.829 ( 5.392 4.281 -3.265) 7.620 3.021 ( -3.965 -5.924 7.992) 10.709 3.021 ( -3.965 5.924 7.992) 10.709 3.187 ( -9.445 -2.053 -0.425) 9.675 3.187 ( -9.445 2.053 -0.425) 9.675 3.417 ( -5.044 -5.787 0.297) 7.683 3.417 ( -5.044 5.787 0.297) 7.683 3.492 ( -3.933 -5.034 -2.777) 6.965 3.492 ( -3.933 5.034 -2.777) 6.965 4.283 ( -2.784 -11.695 -2.556) 12.291 4.283 ( -2.784 11.695 -2.556) 12.291 4.682 ( -0.412 -1.701 -0.655) 1.869 4.682 ( -0.412 1.701 -0.655) 1.869 5.059 ( 4.486 -2.559 0.961) 5.253 5.059 ( 4.486 2.559 0.961) 5.253 5.512 ( -0.184 -4.232 -2.051) 4.707 5.512 ( -0.184 4.232 -2.051) 4.707 5.611 ( 1.790 -2.454 3.094) 4.335 5.611 ( 1.790 2.454 3.094) 4.335 5.983 ( 0.326 -1.193 -1.643) 2.056 5.983 ( 0.326 1.193 -1.643) 2.056 7.093 ( 3.068 -6.806 -1.104) 7.546 7.093 ( 3.068 6.806 -1.104) 7.546 7.536 ( 3.958 -6.626 2.608) 8.147 7.536 ( 3.958 6.626 2.608) 8.147 7.742 ( -2.034 -4.384 -3.552) 5.998 7.742 ( -2.034 4.384 -3.552) 5.998 8.533 ( 5.566 -3.818 1.726) 6.967 8.533 ( 5.566 3.818 1.726) 6.967 9.067 ( -8.923 -10.033 0.638) 13.443 9.067 ( -8.923 10.033 0.638) 13.443 9.352 ( 7.624 -1.548 1.911) 8.011 9.352 ( 7.624 1.548 1.911) 8.011 9.804 ( -5.051 -6.707 -2.141) 8.665 9.804 ( -5.051 6.707 -2.141) 8.665 10.060 ( -4.322 -4.860 -1.557) 6.687 10.060 ( -4.322 4.860 -1.557) 6.687 11.980 ( 7.810 -4.066 0.131) 8.806 11.980 ( 7.810 4.066 0.131) 8.806 12.180 ( 0.889 -1.236 2.251) 2.717 12.180 ( 0.889 1.236 2.251) 2.717 15.901 ( -0.852 -1.941 3.029) 3.697 15.901 ( -0.852 1.941 3.029) 3.697 15.960 ( 0.235 -1.444 -1.309) 1.963 15.960 ( 0.235 1.444 -1.309) 1.963 16.273 ( 0.842 -2.192 3.192) 3.963 16.273 ( 0.842 2.192 3.192) 3.963 16.384 ( 0.732 -1.646 -4.226) 4.594 16.384 ( 0.732 1.646 -4.226) 4.594 19.242 ( -0.046 -1.060 0.364) 1.121 19.242 ( -0.046 1.060 0.364) 1.121 20.119 ( 0.085 -0.850 -0.608) 1.048 20.119 ( 0.085 0.850 -0.608) 1.048 ======================= Grid point 348 (160/160) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.000 0.000 -0.000) 0.000 1.866 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 -0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.835 ( -0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 -0.000) 0.000 2.866 ( -0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.915 ( -0.000 0.000 0.000) 0.000 2.915 ( 0.000 -0.000 -0.000) 0.000 3.141 ( 0.000 0.000 -0.000) 0.000 3.141 ( 0.000 0.000 -0.000) 0.000 3.335 ( 0.000 0.000 -0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.488 ( -0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 4.234 ( -0.000 -0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 -0.000 0.000) 0.000 4.679 ( 0.000 0.000 -0.000) 0.000 5.114 ( 0.000 0.000 -0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.478 ( 0.000 0.000 -0.000) 0.000 5.478 ( 0.000 0.000 0.000) 0.000 5.659 ( 0.000 -0.000 -0.000) 0.000 5.659 ( 0.000 0.000 -0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.630 ( -0.000 0.000 -0.000) 0.000 7.630 ( 0.000 0.000 0.000) 0.000 7.671 ( -0.000 -0.000 -0.000) 0.000 7.671 ( 0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 -0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 8.983 ( 0.000 0.000 -0.000) 0.000 8.983 ( 0.000 0.000 -0.000) 0.000 9.460 ( 0.000 0.000 -0.000) 0.000 9.460 ( 0.000 0.000 0.000) 0.000 9.714 ( 0.000 0.000 -0.000) 0.000 9.714 ( 0.000 0.000 -0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 12.054 ( 0.000 0.000 0.000) 0.000 12.054 ( 0.000 0.000 0.000) 0.000 12.198 ( 0.000 0.000 -0.000) 0.000 12.198 ( 0.000 0.000 -0.000) 0.000 15.893 ( 0.000 0.000 0.000) 0.000 15.893 ( 0.000 0.000 0.000) 0.000 15.969 ( 0.000 0.000 -0.000) 0.000 15.969 ( 0.000 0.000 0.000) 0.000 16.290 ( 0.000 0.000 -0.000) 0.000 16.290 ( 0.000 0.000 -0.000) 0.000 16.381 ( 0.000 0.000 0.000) 0.000 16.381 ( 0.000 0.000 0.000) 0.000 19.242 ( 0.000 0.000 -0.000) 0.000 19.242 ( 0.000 0.000 0.000) 0.000 20.118 ( 0.000 0.000 0.000) 0.000 20.118 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28800 10.0 5519.477 5011.848 6595.214 0.000 -748.482 0.000 3/28800 20.0 403.568 435.744 451.799 0.000 -18.312 0.000 3/28800 30.0 116.586 121.609 128.798 0.000 -3.557 0.000 3/28800 40.0 57.035 57.801 62.034 0.000 -1.439 0.000 3/28800 50.0 35.694 35.592 38.339 0.000 -0.805 0.000 3/28800 60.0 25.433 25.138 27.074 0.000 -0.534 0.000 3/28800 70.0 19.577 19.256 20.709 0.000 -0.391 0.000 3/28800 80.0 15.852 15.550 16.692 0.000 -0.306 0.000 3/28800 90.0 13.300 13.026 13.956 0.000 -0.250 0.000 3/28800 100.0 11.454 11.207 11.984 0.000 -0.212 0.000 3/28800 110.0 10.062 9.838 10.502 0.000 -0.183 0.000 3/28800 120.0 8.976 8.772 9.348 0.000 -0.162 0.000 3/28800 130.0 8.107 7.918 8.427 0.000 -0.145 0.000 3/28800 140.0 7.396 7.220 7.674 0.000 -0.131 0.000 3/28800 150.0 6.803 6.637 7.047 0.000 -0.120 0.000 3/28800 160.0 6.301 6.144 6.516 0.000 -0.110 0.000 3/28800 170.0 5.870 5.721 6.062 0.000 -0.102 0.000 3/28800 180.0 5.496 5.354 5.669 0.000 -0.095 0.000 3/28800 190.0 5.168 5.032 5.324 0.000 -0.089 0.000 3/28800 200.0 4.879 4.747 5.020 0.000 -0.084 0.000 3/28800 210.0 4.621 4.494 4.750 0.000 -0.079 0.000 3/28800 220.0 4.389 4.267 4.508 0.000 -0.074 0.000 3/28800 230.0 4.181 4.062 4.290 0.000 -0.071 0.000 3/28800 240.0 3.991 3.877 4.092 0.000 -0.067 0.000 3/28800 250.0 3.819 3.708 3.912 0.000 -0.064 0.000 3/28800 260.0 3.661 3.553 3.748 0.000 -0.061 0.000 3/28800 270.0 3.516 3.412 3.597 0.000 -0.059 0.000 3/28800 280.0 3.383 3.281 3.459 0.000 -0.056 0.000 3/28800 290.0 3.259 3.160 3.330 0.000 -0.054 0.000 3/28800 300.0 3.144 3.048 3.211 0.000 -0.052 0.000 3/28800 310.0 3.037 2.943 3.101 0.000 -0.050 0.000 3/28800 320.0 2.938 2.846 2.998 0.000 -0.048 0.000 3/28800 330.0 2.844 2.755 2.901 0.000 -0.047 0.000 3/28800 340.0 2.757 2.670 2.811 0.000 -0.045 0.000 3/28800 350.0 2.675 2.590 2.726 0.000 -0.044 0.000 3/28800 360.0 2.598 2.514 2.647 0.000 -0.042 0.000 3/28800 370.0 2.525 2.444 2.572 0.000 -0.041 0.000 3/28800 380.0 2.456 2.376 2.501 0.000 -0.040 0.000 3/28800 390.0 2.391 2.313 2.434 0.000 -0.039 0.000 3/28800 400.0 2.329 2.253 2.370 0.000 -0.038 0.000 3/28800 410.0 2.271 2.196 2.310 0.000 -0.037 0.000 3/28800 420.0 2.215 2.142 2.253 0.000 -0.036 0.000 3/28800 430.0 2.162 2.090 2.199 0.000 -0.035 0.000 3/28800 440.0 2.112 2.041 2.147 0.000 -0.034 0.000 3/28800 450.0 2.063 1.995 2.098 0.000 -0.033 0.000 3/28800 460.0 2.017 1.950 2.051 0.000 -0.033 0.000 3/28800 470.0 1.974 1.907 2.006 0.000 -0.032 0.000 3/28800 480.0 1.931 1.866 1.963 0.000 -0.031 0.000 3/28800 490.0 1.891 1.827 1.921 0.000 -0.030 0.000 3/28800 500.0 1.853 1.790 1.882 0.000 -0.030 0.000 3/28800 510.0 1.816 1.754 1.844 0.000 -0.029 0.000 3/28800 520.0 1.780 1.719 1.808 0.000 -0.029 0.000 3/28800 530.0 1.746 1.686 1.773 0.000 -0.028 0.000 3/28800 540.0 1.713 1.654 1.739 0.000 -0.027 0.000 3/28800 550.0 1.681 1.624 1.707 0.000 -0.027 0.000 3/28800 560.0 1.651 1.594 1.675 0.000 -0.026 0.000 3/28800 570.0 1.621 1.566 1.645 0.000 -0.026 0.000 3/28800 580.0 1.593 1.538 1.616 0.000 -0.025 0.000 3/28800 590.0 1.565 1.511 1.589 0.000 -0.025 0.000 3/28800 600.0 1.539 1.486 1.562 0.000 -0.025 0.000 3/28800 610.0 1.513 1.461 1.535 0.000 -0.024 0.000 3/28800 620.0 1.489 1.437 1.510 0.000 -0.024 0.000 3/28800 630.0 1.465 1.414 1.486 0.000 -0.023 0.000 3/28800 640.0 1.442 1.391 1.462 0.000 -0.023 0.000 3/28800 650.0 1.419 1.370 1.439 0.000 -0.023 0.000 3/28800 660.0 1.397 1.349 1.417 0.000 -0.022 0.000 3/28800 670.0 1.376 1.328 1.396 0.000 -0.022 0.000 3/28800 680.0 1.356 1.308 1.375 0.000 -0.022 0.000 3/28800 690.0 1.336 1.289 1.355 0.000 -0.021 0.000 3/28800 700.0 1.317 1.271 1.335 0.000 -0.021 0.000 3/28800 710.0 1.298 1.252 1.316 0.000 -0.021 0.000 3/28800 720.0 1.280 1.235 1.297 0.000 -0.020 0.000 3/28800 730.0 1.262 1.218 1.279 0.000 -0.020 0.000 3/28800 740.0 1.245 1.201 1.262 0.000 -0.020 0.000 3/28800 750.0 1.228 1.185 1.245 0.000 -0.019 0.000 3/28800 760.0 1.212 1.169 1.228 0.000 -0.019 0.000 3/28800 770.0 1.196 1.154 1.212 0.000 -0.019 0.000 3/28800 780.0 1.180 1.139 1.196 0.000 -0.019 0.000 3/28800 790.0 1.165 1.124 1.181 0.000 -0.018 0.000 3/28800 800.0 1.151 1.110 1.166 0.000 -0.018 0.000 3/28800 810.0 1.136 1.096 1.152 0.000 -0.018 0.000 3/28800 820.0 1.122 1.083 1.137 0.000 -0.018 0.000 3/28800 830.0 1.109 1.070 1.124 0.000 -0.018 0.000 3/28800 840.0 1.095 1.057 1.110 0.000 -0.017 0.000 3/28800 850.0 1.082 1.044 1.097 0.000 -0.017 0.000 3/28800 860.0 1.070 1.032 1.084 0.000 -0.017 0.000 3/28800 870.0 1.057 1.020 1.071 0.000 -0.017 0.000 3/28800 880.0 1.045 1.008 1.059 0.000 -0.017 0.000 3/28800 890.0 1.033 0.997 1.047 0.000 -0.016 0.000 3/28800 900.0 1.022 0.986 1.035 0.000 -0.016 0.000 3/28800 910.0 1.011 0.975 1.024 0.000 -0.016 0.000 3/28800 920.0 1.000 0.964 1.013 0.000 -0.016 0.000 3/28800 930.0 0.989 0.954 1.002 0.000 -0.016 0.000 3/28800 940.0 0.978 0.943 0.991 0.000 -0.015 0.000 3/28800 950.0 0.968 0.933 0.980 0.000 -0.015 0.000 3/28800 960.0 0.958 0.924 0.970 0.000 -0.015 0.000 3/28800 970.0 0.948 0.914 0.960 0.000 -0.015 0.000 3/28800 980.0 0.938 0.905 0.950 0.000 -0.015 0.000 3/28800 990.0 0.928 0.895 0.940 0.000 -0.015 0.000 3/28800 1000.0 0.919 0.886 0.931 0.000 -0.015 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m1086.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:23:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|