----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:42:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.225962050000113 0.000000000000000 0.000000000000000 b 0.000000000000000 6.282734180000000 0.000000000000000 c -6.183372137802294 0.000000000000000 8.801092251859734 Atomic positions (fractional): *1 O 0.68350485070748 0.53133362215762 0.77310703118493 15.999 2 O 0.31649514929252 0.03133362215762 0.72689296881507 15.999 3 O 0.31649514929252 0.46866637784238 0.22689296881507 15.999 4 O 0.68350485070748 0.96866637784238 0.27310703118493 15.999 *5 O 0.22094010444303 0.80732478979663 0.45649764177126 15.999 6 O 0.77905989555697 0.30732478979663 0.04350235822874 15.999 7 O 0.77905989555697 0.19267521020337 0.54350235822874 15.999 8 O 0.22094010444303 0.69267521020337 0.95649764177126 15.999 *9 O 0.13667469253811 0.23517027550436 0.94625018644836 15.999 10 O 0.86332530746189 0.73517027550436 0.55374981355164 15.999 11 O 0.86332530746189 0.76482972449564 0.05374981355164 15.999 12 O 0.13667469253811 0.26482972449564 0.44625018644836 15.999 *13 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 14 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 *15 Ba 0.75890547373237 0.53553847218281 0.24901801322542 137.327 16 Ba 0.24109452626763 0.03553847218281 0.25098198677458 137.327 17 Ba 0.75890547373237 0.96446152781719 0.74901801322542 137.327 18 Ba 0.24109452626763 0.46446152781719 0.75098198677458 137.327 *19 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 20 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.225962050000113 0.000000000000000 0.000000000000000 b 0.000000000000000 6.282734180000000 0.000000000000000 c -6.183372137802294 0.000000000000000 8.801092251859734 Atomic positions (fractional): *1 O 0.68350485070748 0.53133362215762 0.77310703118493 15.999 > 1 2 O 0.31649514929252 0.03133362215762 0.72689296881507 15.999 > 2 3 O 0.31649514929252 0.46866637784238 0.22689296881507 15.999 > 3 4 O 0.68350485070748 0.96866637784238 0.27310703118493 15.999 > 4 *5 O 0.22094010444303 0.80732478979663 0.45649764177126 15.999 > 5 6 O 0.77905989555697 0.30732478979663 0.04350235822874 15.999 > 6 7 O 0.77905989555697 0.19267521020337 0.54350235822874 15.999 > 7 8 O 0.22094010444303 0.69267521020337 0.95649764177126 15.999 > 8 *9 O 0.13667469253811 0.23517027550436 0.94625018644836 15.999 > 9 10 O 0.86332530746189 0.73517027550436 0.55374981355164 15.999 > 10 11 O 0.86332530746189 0.76482972449564 0.05374981355164 15.999 > 11 12 O 0.13667469253811 0.26482972449564 0.44625018644836 15.999 > 12 *13 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 13 14 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 14 *15 Ba 0.75890547373237 0.53553847218281 0.24901801322542 137.327 > 15 16 Ba 0.24109452626763 0.03553847218281 0.25098198677458 137.327 > 16 17 Ba 0.75890547373237 0.96446152781719 0.74901801322542 137.327 > 17 18 Ba 0.24109452626763 0.46446152781719 0.75098198677458 137.327 > 18 *19 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 19 20 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.451924100000227 0.000000000000000 0.000000000000000 b 0.000000000000000 12.565468360000001 0.000000000000000 c -6.183372137802294 0.000000000000000 8.801092251859734 Atomic positions (fractional): *1 O 0.34175242535374 0.26566681107881 0.77310703118493 15.999 > 1 2 O 0.84175242535374 0.26566681107881 0.77310703118493 15.999 > 1 3 O 0.34175242535374 0.76566681107881 0.77310703118493 15.999 > 1 4 O 0.84175242535374 0.76566681107881 0.77310703118493 15.999 > 1 5 O 0.15824757464626 0.01566681107881 0.72689296881507 15.999 > 2 6 O 0.65824757464626 0.01566681107881 0.72689296881507 15.999 > 2 7 O 0.15824757464626 0.51566681107881 0.72689296881507 15.999 > 2 8 O 0.65824757464626 0.51566681107881 0.72689296881507 15.999 > 2 9 O 0.15824757464626 0.23433318892119 0.22689296881507 15.999 > 3 10 O 0.65824757464626 0.23433318892119 0.22689296881507 15.999 > 3 11 O 0.15824757464626 0.73433318892119 0.22689296881507 15.999 > 3 12 O 0.65824757464626 0.73433318892119 0.22689296881507 15.999 > 3 13 O 0.34175242535374 0.48433318892119 0.27310703118493 15.999 > 4 14 O 0.84175242535374 0.48433318892119 0.27310703118493 15.999 > 4 15 O 0.34175242535374 0.98433318892119 0.27310703118493 15.999 > 4 16 O 0.84175242535374 0.98433318892119 0.27310703118493 15.999 > 4 *17 O 0.11047005222151 0.40366239489832 0.45649764177126 15.999 > 5 18 O 0.61047005222151 0.40366239489832 0.45649764177126 15.999 > 5 19 O 0.11047005222151 0.90366239489832 0.45649764177126 15.999 > 5 20 O 0.61047005222151 0.90366239489832 0.45649764177126 15.999 > 5 21 O 0.38952994777849 0.15366239489832 0.04350235822874 15.999 > 6 22 O 0.88952994777849 0.15366239489832 0.04350235822874 15.999 > 6 23 O 0.38952994777849 0.65366239489832 0.04350235822874 15.999 > 6 24 O 0.88952994777849 0.65366239489832 0.04350235822874 15.999 > 6 25 O 0.38952994777849 0.09633760510168 0.54350235822874 15.999 > 7 26 O 0.88952994777849 0.09633760510168 0.54350235822874 15.999 > 7 27 O 0.38952994777849 0.59633760510168 0.54350235822874 15.999 > 7 28 O 0.88952994777849 0.59633760510168 0.54350235822874 15.999 > 7 29 O 0.11047005222151 0.34633760510168 0.95649764177126 15.999 > 8 30 O 0.61047005222151 0.34633760510168 0.95649764177126 15.999 > 8 31 O 0.11047005222151 0.84633760510168 0.95649764177126 15.999 > 8 32 O 0.61047005222151 0.84633760510168 0.95649764177126 15.999 > 8 *33 O 0.06833734626905 0.11758513775218 0.94625018644836 15.999 > 9 34 O 0.56833734626905 0.11758513775218 0.94625018644836 15.999 > 9 35 O 0.06833734626905 0.61758513775218 0.94625018644836 15.999 > 9 36 O 0.56833734626905 0.61758513775218 0.94625018644836 15.999 > 9 37 O 0.43166265373095 0.36758513775218 0.55374981355164 15.999 > 10 38 O 0.93166265373095 0.36758513775218 0.55374981355164 15.999 > 10 39 O 0.43166265373095 0.86758513775218 0.55374981355164 15.999 > 10 40 O 0.93166265373095 0.86758513775218 0.55374981355164 15.999 > 10 41 O 0.43166265373095 0.38241486224782 0.05374981355164 15.999 > 11 42 O 0.93166265373095 0.38241486224782 0.05374981355164 15.999 > 11 43 O 0.43166265373095 0.88241486224782 0.05374981355164 15.999 > 11 44 O 0.93166265373095 0.88241486224782 0.05374981355164 15.999 > 11 45 O 0.06833734626905 0.13241486224782 0.44625018644836 15.999 > 12 46 O 0.56833734626905 0.13241486224782 0.44625018644836 15.999 > 12 47 O 0.06833734626905 0.63241486224782 0.44625018644836 15.999 > 12 48 O 0.56833734626905 0.63241486224782 0.44625018644836 15.999 > 12 *49 Sr 0.25000000000000 0.25000000000000 0.50000000000000 87.620 > 13 50 Sr 0.75000000000000 0.25000000000000 0.50000000000000 87.620 > 13 51 Sr 0.25000000000000 0.75000000000000 0.50000000000000 87.620 > 13 52 Sr 0.75000000000000 0.75000000000000 0.50000000000000 87.620 > 13 53 Sr 0.25000000000000 0.00000000000000 0.00000000000000 87.620 > 14 54 Sr 0.75000000000000 0.00000000000000 0.00000000000000 87.620 > 14 55 Sr 0.25000000000000 0.50000000000000 0.00000000000000 87.620 > 14 56 Sr 0.75000000000000 0.50000000000000 0.00000000000000 87.620 > 14 *57 Ba 0.37945273686618 0.26776923609141 0.24901801322542 137.327 > 15 58 Ba 0.87945273686618 0.26776923609141 0.24901801322542 137.327 > 15 59 Ba 0.37945273686618 0.76776923609141 0.24901801322542 137.327 > 15 60 Ba 0.87945273686618 0.76776923609141 0.24901801322542 137.327 > 15 61 Ba 0.12054726313382 0.01776923609141 0.25098198677458 137.327 > 16 62 Ba 0.62054726313382 0.01776923609141 0.25098198677458 137.327 > 16 63 Ba 0.12054726313382 0.51776923609141 0.25098198677458 137.327 > 16 64 Ba 0.62054726313382 0.51776923609141 0.25098198677458 137.327 > 16 65 Ba 0.37945273686618 0.48223076390859 0.74901801322542 137.327 > 17 66 Ba 0.87945273686618 0.48223076390859 0.74901801322542 137.327 > 17 67 Ba 0.37945273686618 0.98223076390859 0.74901801322542 137.327 > 17 68 Ba 0.87945273686618 0.98223076390859 0.74901801322542 137.327 > 17 69 Ba 0.12054726313382 0.23223076390859 0.75098198677458 137.327 > 18 70 Ba 0.62054726313382 0.23223076390859 0.75098198677458 137.327 > 18 71 Ba 0.12054726313382 0.73223076390859 0.75098198677458 137.327 > 18 72 Ba 0.62054726313382 0.73223076390859 0.75098198677458 137.327 > 18 *73 U 0.00000000000000 0.25000000000000 0.00000000000000 238.029 > 19 74 U 0.50000000000000 0.25000000000000 0.00000000000000 238.029 > 19 75 U 0.00000000000000 0.75000000000000 0.00000000000000 238.029 > 19 76 U 0.50000000000000 0.75000000000000 0.00000000000000 238.029 > 19 77 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 20 78 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 20 79 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 20 80 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2844568 0.0000000 -0.0349578 0.0000000 4.2127847 0.0000000 -0.0349583 0.0000000 4.1833924 -------------------------- Born effective charges -------------------------- 1 O -1.8092028 -0.0855844 -0.5888650 -0.0951011 -1.4646800 0.2903840 -0.5961326 0.2435441 -3.4972834 2 O -1.8092028 0.0855844 -0.5888650 0.0951011 -1.4646800 -0.2903840 -0.5961326 -0.2435441 -3.4972834 3 O -1.8092028 -0.0855844 -0.5888650 -0.0951011 -1.4646800 0.2903840 -0.5961326 0.2435441 -3.4972834 4 O -1.8092028 0.0855844 -0.5888650 0.0951011 -1.4646800 -0.2903840 -0.5961326 -0.2435441 -3.4972834 5 O -2.8631185 0.9710150 0.3194273 0.9634740 -2.2660505 -0.1826517 0.3462077 -0.1906868 -1.5691550 6 O -2.8631185 -0.9710150 0.3194273 -0.9634740 -2.2660505 0.1826517 0.3462077 0.1906868 -1.5691550 7 O -2.8631185 0.9710150 0.3194273 0.9634740 -2.2660505 -0.1826517 0.3462077 -0.1906868 -1.5691550 8 O -2.8631185 -0.9710150 0.3194273 -0.9634740 -2.2660505 0.1826517 0.3462077 0.1906868 -1.5691550 9 O -2.2210236 0.9464980 0.3439075 0.9720455 -2.9671893 -0.4902034 0.3240736 -0.4894513 -1.5855722 10 O -2.2210236 -0.9464980 0.3439075 -0.9720455 -2.9671893 0.4902034 0.3240736 0.4894513 -1.5855722 11 O -2.2210236 0.9464980 0.3439075 0.9720455 -2.9671893 -0.4902034 0.3240736 -0.4894513 -1.5855722 12 O -2.2210236 -0.9464980 0.3439075 -0.9720455 -2.9671893 0.4902034 0.3240736 0.4894513 -1.5855722 13 Sr 2.9850015 -0.1656110 0.3023795 0.0978805 3.0181080 0.0928283 -0.2022500 0.1414071 2.9818960 14 Sr 2.9850015 0.1656110 0.3023795 -0.0978805 3.0181080 -0.0928283 -0.2022500 -0.1414071 2.9818960 15 Ba 2.8099838 -0.1504897 -0.1559028 -0.1858044 2.6764744 0.0236455 0.0904248 0.1401198 2.5631610 16 Ba 2.8099838 0.1504897 -0.1559028 0.1858044 2.6764744 -0.0236455 0.0904248 -0.1401198 2.5631610 17 Ba 2.8099838 0.1504897 -0.1559028 0.1858044 2.6764744 -0.0236455 0.0904248 -0.1401198 2.5631610 18 Ba 2.8099838 -0.1504897 -0.1559028 -0.1858044 2.6764744 0.0236455 0.0904248 0.1401198 2.5631610 19 U 5.1817208 -0.0968633 -0.1395134 -0.1677801 5.0247829 -0.2194894 -0.1268968 -0.1308084 5.1958032 20 U 5.1817208 0.0968633 -0.1395134 0.1677801 5.0247829 0.2194894 -0.1268968 0.1308084 5.1958032 ---------------------------------------------------------------------------- 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): 0.008 Solver_block: 100 / 640 - Time: 2.297 Solver_block: 200 / 640 - Time: 2.281 Solver_block: 300 / 640 - Time: 2.295 Solver_block: 400 / 640 - Time: 2.297 Solver_block: 500 / 640 - Time: 2.250 Solver_block: 600 / 640 - Time: 2.502 Solver_block: 640 / 640 - Time: 1.077 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.354 --------------------------------- 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 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:43:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:43:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.225962050000113 0.000000000000000 0.000000000000000 b 0.000000000000000 6.282734180000000 0.000000000000000 c -6.183372137802294 0.000000000000000 8.801092251859734 Atomic positions (fractional): 1 O 0.68350485070748 0.53133362215762 0.77310703118493 15.999 2 O 0.31649514929252 0.03133362215762 0.72689296881507 15.999 3 O 0.31649514929252 0.46866637784238 0.22689296881507 15.999 4 O 0.68350485070748 0.96866637784238 0.27310703118493 15.999 5 O 0.22094010444303 0.80732478979663 0.45649764177126 15.999 6 O 0.77905989555697 0.30732478979663 0.04350235822874 15.999 7 O 0.77905989555697 0.19267521020337 0.54350235822874 15.999 8 O 0.22094010444303 0.69267521020337 0.95649764177126 15.999 9 O 0.13667469253811 0.23517027550436 0.94625018644836 15.999 10 O 0.86332530746189 0.73517027550436 0.55374981355164 15.999 11 O 0.86332530746189 0.76482972449564 0.05374981355164 15.999 12 O 0.13667469253811 0.26482972449564 0.44625018644836 15.999 13 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 14 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 15 Ba 0.75890547373237 0.53553847218281 0.24901801322542 137.327 16 Ba 0.24109452626763 0.03553847218281 0.25098198677458 137.327 17 Ba 0.75890547373237 0.96446152781719 0.74901801322542 137.327 18 Ba 0.24109452626763 0.46446152781719 0.75098198677458 137.327 19 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 20 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.451924100000227 0.000000000000000 0.000000000000000 b 0.000000000000000 12.565468360000001 0.000000000000000 c -6.183372137802294 0.000000000000000 8.801092251859734 Atomic positions (fractional): 1 O 0.34175242535374 0.26566681107881 0.77310703118493 15.999 > 1 2 O 0.84175242535374 0.26566681107881 0.77310703118493 15.999 > 1 3 O 0.34175242535374 0.76566681107881 0.77310703118493 15.999 > 1 4 O 0.84175242535374 0.76566681107881 0.77310703118493 15.999 > 1 5 O 0.15824757464626 0.01566681107881 0.72689296881507 15.999 > 5 6 O 0.65824757464626 0.01566681107881 0.72689296881507 15.999 > 5 7 O 0.15824757464626 0.51566681107881 0.72689296881507 15.999 > 5 8 O 0.65824757464626 0.51566681107881 0.72689296881507 15.999 > 5 9 O 0.15824757464626 0.23433318892119 0.22689296881507 15.999 > 9 10 O 0.65824757464626 0.23433318892119 0.22689296881507 15.999 > 9 11 O 0.15824757464626 0.73433318892119 0.22689296881507 15.999 > 9 12 O 0.65824757464626 0.73433318892119 0.22689296881507 15.999 > 9 13 O 0.34175242535374 0.48433318892119 0.27310703118493 15.999 > 13 14 O 0.84175242535374 0.48433318892119 0.27310703118493 15.999 > 13 15 O 0.34175242535374 0.98433318892119 0.27310703118493 15.999 > 13 16 O 0.84175242535374 0.98433318892119 0.27310703118493 15.999 > 13 17 O 0.11047005222151 0.40366239489832 0.45649764177126 15.999 > 17 18 O 0.61047005222151 0.40366239489832 0.45649764177126 15.999 > 17 19 O 0.11047005222151 0.90366239489832 0.45649764177126 15.999 > 17 20 O 0.61047005222151 0.90366239489832 0.45649764177126 15.999 > 17 21 O 0.38952994777849 0.15366239489832 0.04350235822874 15.999 > 21 22 O 0.88952994777849 0.15366239489832 0.04350235822874 15.999 > 21 23 O 0.38952994777849 0.65366239489832 0.04350235822874 15.999 > 21 24 O 0.88952994777849 0.65366239489832 0.04350235822874 15.999 > 21 25 O 0.38952994777849 0.09633760510168 0.54350235822874 15.999 > 25 26 O 0.88952994777849 0.09633760510168 0.54350235822874 15.999 > 25 27 O 0.38952994777849 0.59633760510168 0.54350235822874 15.999 > 25 28 O 0.88952994777849 0.59633760510168 0.54350235822874 15.999 > 25 29 O 0.11047005222151 0.34633760510168 0.95649764177126 15.999 > 29 30 O 0.61047005222151 0.34633760510168 0.95649764177126 15.999 > 29 31 O 0.11047005222151 0.84633760510168 0.95649764177126 15.999 > 29 32 O 0.61047005222151 0.84633760510168 0.95649764177126 15.999 > 29 33 O 0.06833734626905 0.11758513775218 0.94625018644836 15.999 > 33 34 O 0.56833734626905 0.11758513775218 0.94625018644836 15.999 > 33 35 O 0.06833734626905 0.61758513775218 0.94625018644836 15.999 > 33 36 O 0.56833734626905 0.61758513775218 0.94625018644836 15.999 > 33 37 O 0.43166265373095 0.36758513775218 0.55374981355164 15.999 > 37 38 O 0.93166265373095 0.36758513775218 0.55374981355164 15.999 > 37 39 O 0.43166265373095 0.86758513775218 0.55374981355164 15.999 > 37 40 O 0.93166265373095 0.86758513775218 0.55374981355164 15.999 > 37 41 O 0.43166265373095 0.38241486224782 0.05374981355164 15.999 > 41 42 O 0.93166265373095 0.38241486224782 0.05374981355164 15.999 > 41 43 O 0.43166265373095 0.88241486224782 0.05374981355164 15.999 > 41 44 O 0.93166265373095 0.88241486224782 0.05374981355164 15.999 > 41 45 O 0.06833734626905 0.13241486224782 0.44625018644836 15.999 > 45 46 O 0.56833734626905 0.13241486224782 0.44625018644836 15.999 > 45 47 O 0.06833734626905 0.63241486224782 0.44625018644836 15.999 > 45 48 O 0.56833734626905 0.63241486224782 0.44625018644836 15.999 > 45 49 Sr 0.25000000000000 0.25000000000000 0.50000000000000 87.620 > 49 50 Sr 0.75000000000000 0.25000000000000 0.50000000000000 87.620 > 49 51 Sr 0.25000000000000 0.75000000000000 0.50000000000000 87.620 > 49 52 Sr 0.75000000000000 0.75000000000000 0.50000000000000 87.620 > 49 53 Sr 0.25000000000000 0.00000000000000 0.00000000000000 87.620 > 53 54 Sr 0.75000000000000 0.00000000000000 0.00000000000000 87.620 > 53 55 Sr 0.25000000000000 0.50000000000000 0.00000000000000 87.620 > 53 56 Sr 0.75000000000000 0.50000000000000 0.00000000000000 87.620 > 53 57 Ba 0.37945273686618 0.26776923609141 0.24901801322542 137.327 > 57 58 Ba 0.87945273686618 0.26776923609141 0.24901801322542 137.327 > 57 59 Ba 0.37945273686618 0.76776923609141 0.24901801322542 137.327 > 57 60 Ba 0.87945273686618 0.76776923609141 0.24901801322542 137.327 > 57 61 Ba 0.12054726313382 0.01776923609141 0.25098198677458 137.327 > 61 62 Ba 0.62054726313382 0.01776923609141 0.25098198677458 137.327 > 61 63 Ba 0.12054726313382 0.51776923609141 0.25098198677458 137.327 > 61 64 Ba 0.62054726313382 0.51776923609141 0.25098198677458 137.327 > 61 65 Ba 0.37945273686618 0.48223076390859 0.74901801322542 137.327 > 65 66 Ba 0.87945273686618 0.48223076390859 0.74901801322542 137.327 > 65 67 Ba 0.37945273686618 0.98223076390859 0.74901801322542 137.327 > 65 68 Ba 0.87945273686618 0.98223076390859 0.74901801322542 137.327 > 65 69 Ba 0.12054726313382 0.23223076390859 0.75098198677458 137.327 > 69 70 Ba 0.62054726313382 0.23223076390859 0.75098198677458 137.327 > 69 71 Ba 0.12054726313382 0.73223076390859 0.75098198677458 137.327 > 69 72 Ba 0.62054726313382 0.73223076390859 0.75098198677458 137.327 > 69 73 U 0.00000000000000 0.25000000000000 0.00000000000000 238.029 > 73 74 U 0.50000000000000 0.25000000000000 0.00000000000000 238.029 > 73 75 U 0.00000000000000 0.75000000000000 0.00000000000000 238.029 > 73 76 U 0.50000000000000 0.75000000000000 0.00000000000000 238.029 > 73 77 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 77 78 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 77 79 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 77 80 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2844568 0.0000000 -0.0349578 0.0000000 4.2127847 0.0000000 -0.0349583 0.0000000 4.1833924 -------------------------- Born effective charges -------------------------- 1 O -1.8092028 -0.0855844 -0.5888650 -0.0951011 -1.4646800 0.2903840 -0.5961326 0.2435441 -3.4972834 2 O -1.8092028 0.0855844 -0.5888650 0.0951011 -1.4646800 -0.2903840 -0.5961326 -0.2435441 -3.4972834 3 O -1.8092028 -0.0855844 -0.5888650 -0.0951011 -1.4646800 0.2903840 -0.5961326 0.2435441 -3.4972834 4 O -1.8092028 0.0855844 -0.5888650 0.0951011 -1.4646800 -0.2903840 -0.5961326 -0.2435441 -3.4972834 5 O -2.8631185 0.9710150 0.3194273 0.9634740 -2.2660505 -0.1826517 0.3462077 -0.1906868 -1.5691550 6 O -2.8631185 -0.9710150 0.3194273 -0.9634740 -2.2660505 0.1826517 0.3462077 0.1906868 -1.5691550 7 O -2.8631185 0.9710150 0.3194273 0.9634740 -2.2660505 -0.1826517 0.3462077 -0.1906868 -1.5691550 8 O -2.8631185 -0.9710150 0.3194273 -0.9634740 -2.2660505 0.1826517 0.3462077 0.1906868 -1.5691550 9 O -2.2210236 0.9464980 0.3439075 0.9720455 -2.9671893 -0.4902034 0.3240736 -0.4894513 -1.5855722 10 O -2.2210236 -0.9464980 0.3439075 -0.9720455 -2.9671893 0.4902034 0.3240736 0.4894513 -1.5855722 11 O -2.2210236 0.9464980 0.3439075 0.9720455 -2.9671893 -0.4902034 0.3240736 -0.4894513 -1.5855722 12 O -2.2210236 -0.9464980 0.3439075 -0.9720455 -2.9671893 0.4902034 0.3240736 0.4894513 -1.5855722 13 Sr 2.9850015 -0.1656110 0.3023795 0.0978805 3.0181080 0.0928283 -0.2022500 0.1414071 2.9818960 14 Sr 2.9850015 0.1656110 0.3023795 -0.0978805 3.0181080 -0.0928283 -0.2022500 -0.1414071 2.9818960 15 Ba 2.8099838 -0.1504897 -0.1559028 -0.1858044 2.6764744 0.0236455 0.0904248 0.1401198 2.5631610 16 Ba 2.8099838 0.1504897 -0.1559028 0.1858044 2.6764744 -0.0236455 0.0904248 -0.1401198 2.5631610 17 Ba 2.8099838 0.1504897 -0.1559028 0.1858044 2.6764744 -0.0236455 0.0904248 -0.1401198 2.5631610 18 Ba 2.8099838 -0.1504897 -0.1559028 -0.1858044 2.6764744 0.0236455 0.0904248 0.1401198 2.5631610 19 U 5.1817208 -0.0968633 -0.1395134 -0.1677801 5.0247829 -0.2194894 -0.1268968 -0.1308084 5.1958032 20 U 5.1817208 0.0968633 -0.1395134 0.1677801 5.0247829 0.2194894 -0.1268968 0.1308084 5.1958032 ---------------------------------------------------------------------------- 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[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 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: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000008 (zy) 0.00000008 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:43:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:43:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.225962050000113 0.000000000000000 0.000000000000000 b 0.000000000000000 6.282734180000000 0.000000000000000 c -6.183372137802294 0.000000000000000 8.801092251859734 Atomic positions (fractional): 1 O 0.68350485070748 0.53133362215762 0.77310703118493 15.999 2 O 0.31649514929252 0.03133362215762 0.72689296881507 15.999 3 O 0.31649514929252 0.46866637784238 0.22689296881507 15.999 4 O 0.68350485070748 0.96866637784238 0.27310703118493 15.999 5 O 0.22094010444303 0.80732478979663 0.45649764177126 15.999 6 O 0.77905989555697 0.30732478979663 0.04350235822874 15.999 7 O 0.77905989555697 0.19267521020337 0.54350235822874 15.999 8 O 0.22094010444303 0.69267521020337 0.95649764177126 15.999 9 O 0.13667469253811 0.23517027550436 0.94625018644836 15.999 10 O 0.86332530746189 0.73517027550436 0.55374981355164 15.999 11 O 0.86332530746189 0.76482972449564 0.05374981355164 15.999 12 O 0.13667469253811 0.26482972449564 0.44625018644836 15.999 13 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 14 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 15 Ba 0.75890547373237 0.53553847218281 0.24901801322542 137.327 16 Ba 0.24109452626763 0.03553847218281 0.25098198677458 137.327 17 Ba 0.75890547373237 0.96446152781719 0.74901801322542 137.327 18 Ba 0.24109452626763 0.46446152781719 0.75098198677458 137.327 19 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 20 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.451924100000227 0.000000000000000 0.000000000000000 b 0.000000000000000 12.565468360000001 0.000000000000000 c -6.183372137802294 0.000000000000000 8.801092251859734 Atomic positions (fractional): 1 O 0.34175242535374 0.26566681107881 0.77310703118493 15.999 > 1 2 O 0.84175242535374 0.26566681107881 0.77310703118493 15.999 > 1 3 O 0.34175242535374 0.76566681107881 0.77310703118493 15.999 > 1 4 O 0.84175242535374 0.76566681107881 0.77310703118493 15.999 > 1 5 O 0.15824757464626 0.01566681107881 0.72689296881507 15.999 > 5 6 O 0.65824757464626 0.01566681107881 0.72689296881507 15.999 > 5 7 O 0.15824757464626 0.51566681107881 0.72689296881507 15.999 > 5 8 O 0.65824757464626 0.51566681107881 0.72689296881507 15.999 > 5 9 O 0.15824757464626 0.23433318892119 0.22689296881507 15.999 > 9 10 O 0.65824757464626 0.23433318892119 0.22689296881507 15.999 > 9 11 O 0.15824757464626 0.73433318892119 0.22689296881507 15.999 > 9 12 O 0.65824757464626 0.73433318892119 0.22689296881507 15.999 > 9 13 O 0.34175242535374 0.48433318892119 0.27310703118493 15.999 > 13 14 O 0.84175242535374 0.48433318892119 0.27310703118493 15.999 > 13 15 O 0.34175242535374 0.98433318892119 0.27310703118493 15.999 > 13 16 O 0.84175242535374 0.98433318892119 0.27310703118493 15.999 > 13 17 O 0.11047005222151 0.40366239489832 0.45649764177126 15.999 > 17 18 O 0.61047005222151 0.40366239489832 0.45649764177126 15.999 > 17 19 O 0.11047005222151 0.90366239489832 0.45649764177126 15.999 > 17 20 O 0.61047005222151 0.90366239489832 0.45649764177126 15.999 > 17 21 O 0.38952994777849 0.15366239489832 0.04350235822874 15.999 > 21 22 O 0.88952994777849 0.15366239489832 0.04350235822874 15.999 > 21 23 O 0.38952994777849 0.65366239489832 0.04350235822874 15.999 > 21 24 O 0.88952994777849 0.65366239489832 0.04350235822874 15.999 > 21 25 O 0.38952994777849 0.09633760510168 0.54350235822874 15.999 > 25 26 O 0.88952994777849 0.09633760510168 0.54350235822874 15.999 > 25 27 O 0.38952994777849 0.59633760510168 0.54350235822874 15.999 > 25 28 O 0.88952994777849 0.59633760510168 0.54350235822874 15.999 > 25 29 O 0.11047005222151 0.34633760510168 0.95649764177126 15.999 > 29 30 O 0.61047005222151 0.34633760510168 0.95649764177126 15.999 > 29 31 O 0.11047005222151 0.84633760510168 0.95649764177126 15.999 > 29 32 O 0.61047005222151 0.84633760510168 0.95649764177126 15.999 > 29 33 O 0.06833734626905 0.11758513775218 0.94625018644836 15.999 > 33 34 O 0.56833734626905 0.11758513775218 0.94625018644836 15.999 > 33 35 O 0.06833734626905 0.61758513775218 0.94625018644836 15.999 > 33 36 O 0.56833734626905 0.61758513775218 0.94625018644836 15.999 > 33 37 O 0.43166265373095 0.36758513775218 0.55374981355164 15.999 > 37 38 O 0.93166265373095 0.36758513775218 0.55374981355164 15.999 > 37 39 O 0.43166265373095 0.86758513775218 0.55374981355164 15.999 > 37 40 O 0.93166265373095 0.86758513775218 0.55374981355164 15.999 > 37 41 O 0.43166265373095 0.38241486224782 0.05374981355164 15.999 > 41 42 O 0.93166265373095 0.38241486224782 0.05374981355164 15.999 > 41 43 O 0.43166265373095 0.88241486224782 0.05374981355164 15.999 > 41 44 O 0.93166265373095 0.88241486224782 0.05374981355164 15.999 > 41 45 O 0.06833734626905 0.13241486224782 0.44625018644836 15.999 > 45 46 O 0.56833734626905 0.13241486224782 0.44625018644836 15.999 > 45 47 O 0.06833734626905 0.63241486224782 0.44625018644836 15.999 > 45 48 O 0.56833734626905 0.63241486224782 0.44625018644836 15.999 > 45 49 Sr 0.25000000000000 0.25000000000000 0.50000000000000 87.620 > 49 50 Sr 0.75000000000000 0.25000000000000 0.50000000000000 87.620 > 49 51 Sr 0.25000000000000 0.75000000000000 0.50000000000000 87.620 > 49 52 Sr 0.75000000000000 0.75000000000000 0.50000000000000 87.620 > 49 53 Sr 0.25000000000000 0.00000000000000 0.00000000000000 87.620 > 53 54 Sr 0.75000000000000 0.00000000000000 0.00000000000000 87.620 > 53 55 Sr 0.25000000000000 0.50000000000000 0.00000000000000 87.620 > 53 56 Sr 0.75000000000000 0.50000000000000 0.00000000000000 87.620 > 53 57 Ba 0.37945273686618 0.26776923609141 0.24901801322542 137.327 > 57 58 Ba 0.87945273686618 0.26776923609141 0.24901801322542 137.327 > 57 59 Ba 0.37945273686618 0.76776923609141 0.24901801322542 137.327 > 57 60 Ba 0.87945273686618 0.76776923609141 0.24901801322542 137.327 > 57 61 Ba 0.12054726313382 0.01776923609141 0.25098198677458 137.327 > 61 62 Ba 0.62054726313382 0.01776923609141 0.25098198677458 137.327 > 61 63 Ba 0.12054726313382 0.51776923609141 0.25098198677458 137.327 > 61 64 Ba 0.62054726313382 0.51776923609141 0.25098198677458 137.327 > 61 65 Ba 0.37945273686618 0.48223076390859 0.74901801322542 137.327 > 65 66 Ba 0.87945273686618 0.48223076390859 0.74901801322542 137.327 > 65 67 Ba 0.37945273686618 0.98223076390859 0.74901801322542 137.327 > 65 68 Ba 0.87945273686618 0.98223076390859 0.74901801322542 137.327 > 65 69 Ba 0.12054726313382 0.23223076390859 0.75098198677458 137.327 > 69 70 Ba 0.62054726313382 0.23223076390859 0.75098198677458 137.327 > 69 71 Ba 0.12054726313382 0.73223076390859 0.75098198677458 137.327 > 69 72 Ba 0.62054726313382 0.73223076390859 0.75098198677458 137.327 > 69 73 U 0.00000000000000 0.25000000000000 0.00000000000000 238.029 > 73 74 U 0.50000000000000 0.25000000000000 0.00000000000000 238.029 > 73 75 U 0.00000000000000 0.75000000000000 0.00000000000000 238.029 > 73 76 U 0.50000000000000 0.75000000000000 0.00000000000000 238.029 > 73 77 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 77 78 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 77 79 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 77 80 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2844568 0.0000000 -0.0349578 0.0000000 4.2127847 0.0000000 -0.0349583 0.0000000 4.1833924 -------------------------- Born effective charges -------------------------- 1 O -1.8092028 -0.0855844 -0.5888650 -0.0951011 -1.4646800 0.2903840 -0.5961326 0.2435441 -3.4972834 2 O -1.8092028 0.0855844 -0.5888650 0.0951011 -1.4646800 -0.2903840 -0.5961326 -0.2435441 -3.4972834 3 O -1.8092028 -0.0855844 -0.5888650 -0.0951011 -1.4646800 0.2903840 -0.5961326 0.2435441 -3.4972834 4 O -1.8092028 0.0855844 -0.5888650 0.0951011 -1.4646800 -0.2903840 -0.5961326 -0.2435441 -3.4972834 5 O -2.8631185 0.9710150 0.3194273 0.9634740 -2.2660505 -0.1826517 0.3462077 -0.1906868 -1.5691550 6 O -2.8631185 -0.9710150 0.3194273 -0.9634740 -2.2660505 0.1826517 0.3462077 0.1906868 -1.5691550 7 O -2.8631185 0.9710150 0.3194273 0.9634740 -2.2660505 -0.1826517 0.3462077 -0.1906868 -1.5691550 8 O -2.8631185 -0.9710150 0.3194273 -0.9634740 -2.2660505 0.1826517 0.3462077 0.1906868 -1.5691550 9 O -2.2210236 0.9464980 0.3439075 0.9720455 -2.9671893 -0.4902034 0.3240736 -0.4894513 -1.5855722 10 O -2.2210236 -0.9464980 0.3439075 -0.9720455 -2.9671893 0.4902034 0.3240736 0.4894513 -1.5855722 11 O -2.2210236 0.9464980 0.3439075 0.9720455 -2.9671893 -0.4902034 0.3240736 -0.4894513 -1.5855722 12 O -2.2210236 -0.9464980 0.3439075 -0.9720455 -2.9671893 0.4902034 0.3240736 0.4894513 -1.5855722 13 Sr 2.9850015 -0.1656110 0.3023795 0.0978805 3.0181080 0.0928283 -0.2022500 0.1414071 2.9818960 14 Sr 2.9850015 0.1656110 0.3023795 -0.0978805 3.0181080 -0.0928283 -0.2022500 -0.1414071 2.9818960 15 Ba 2.8099838 -0.1504897 -0.1559028 -0.1858044 2.6764744 0.0236455 0.0904248 0.1401198 2.5631610 16 Ba 2.8099838 0.1504897 -0.1559028 0.1858044 2.6764744 -0.0236455 0.0904248 -0.1401198 2.5631610 17 Ba 2.8099838 0.1504897 -0.1559028 0.1858044 2.6764744 -0.0236455 0.0904248 -0.1401198 2.5631610 18 Ba 2.8099838 -0.1504897 -0.1559028 -0.1858044 2.6764744 0.0236455 0.0904248 0.1401198 2.5631610 19 U 5.1817208 -0.0968633 -0.1395134 -0.1677801 5.0247829 -0.2194894 -0.1268968 -0.1308084 5.1958032 20 U 5.1817208 0.0968633 -0.1395134 0.1677801 5.0247829 0.2194894 -0.1268968 0.1308084 5.1958032 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.59, Number of G-points: 319, Lambda: 0.13 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 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 1.864 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.043 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 8.057 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 8.765 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.179 ( 0.000 0.000 0.000) 0.000 9.331 ( 0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 11.172 ( 0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 13.115 ( 0.000 0.000 0.000) 0.000 13.250 ( 0.000 0.000 0.000) 0.000 14.754 ( 0.000 0.000 0.000) 0.000 14.791 ( 0.000 0.000 0.000) 0.000 15.058 ( 0.000 0.000 0.000) 0.000 15.559 ( 0.000 0.000 0.000) 0.000 15.616 ( 0.000 0.000 0.000) 0.000 16.349 ( 0.000 0.000 0.000) 0.000 16.581 ( 0.000 0.000 0.000) 0.000 21.059 ( 0.000 0.000 0.000) 0.000 21.189 ( 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 14.388 0.000 16.569) 21.945 0.504 ( 18.497 0.000 17.637) 25.558 0.868 ( 37.142 0.000 21.545) 42.938 1.889 ( 3.933 0.000 -2.883) 4.877 2.059 ( 2.096 0.000 -3.870) 4.402 2.208 ( -6.314 0.000 -15.064) 16.333 2.262 ( -2.463 0.000 3.624) 4.382 2.406 ( -0.324 0.000 -7.536) 7.543 2.493 ( -7.840 0.000 -2.306) 8.172 2.708 ( -4.293 0.000 6.179) 7.524 2.777 ( -9.035 0.000 3.909) 9.844 2.794 ( 6.189 0.000 3.518) 7.119 2.984 ( -1.881 0.000 13.595) 13.724 3.164 ( -0.772 0.000 -6.183) 6.231 3.276 ( -6.984 0.000 11.760) 13.678 3.349 ( -8.662 0.000 14.665) 17.032 3.479 ( 9.905 0.000 -3.253) 10.425 3.557 ( 8.430 0.000 3.668) 9.193 3.777 ( -3.548 0.000 -15.469) 15.870 4.142 ( -10.569 0.000 -2.269) 10.810 4.284 ( -2.238 0.000 1.480) 2.683 4.436 ( 7.452 0.000 -0.293) 7.458 4.748 ( -7.511 0.000 -6.291) 9.798 4.759 ( -1.558 0.000 -3.726) 4.039 5.044 ( 1.740 0.000 -2.332) 2.909 5.208 ( 3.155 0.000 4.681) 5.645 5.364 ( 0.283 0.000 0.656) 0.715 5.650 ( 0.630 0.000 -7.014) 7.042 6.160 ( -7.015 0.000 -1.725) 7.224 6.391 ( -1.344 0.000 -3.244) 3.511 6.641 ( -5.583 0.000 -6.017) 8.208 6.682 ( 5.723 0.000 7.863) 9.726 6.806 ( -3.328 0.000 3.719) 4.990 7.001 ( 6.454 0.000 0.540) 6.476 7.612 ( -2.284 0.000 1.563) 2.768 7.636 ( -4.736 0.000 2.789) 5.496 8.090 ( 4.917 0.000 -1.451) 5.127 8.133 ( -0.474 0.000 -2.834) 2.874 8.806 ( -3.368 0.000 4.025) 5.249 9.007 ( -2.268 0.000 0.973) 2.468 9.158 ( -10.700 0.000 4.856) 11.750 9.207 ( -1.777 0.000 5.944) 6.204 9.442 ( -4.503 0.000 -2.735) 5.269 9.772 ( 0.229 0.000 -3.452) 3.460 10.032 ( 16.570 0.000 -14.476) 22.003 10.093 ( 14.222 0.000 -1.277) 14.279 10.214 ( 17.856 0.000 3.599) 18.215 11.117 ( -3.745 0.000 -3.766) 5.311 12.700 ( -2.536 0.000 3.539) 4.354 13.101 ( -4.025 0.000 3.541) 5.361 13.194 ( -5.453 0.000 -1.752) 5.728 14.785 ( -3.995 0.000 1.537) 4.280 14.811 ( 6.245 0.000 0.393) 6.258 15.367 ( -27.170 0.000 -11.308) 29.430 15.509 ( -8.119 0.000 14.952) 17.015 15.750 ( 4.654 0.000 -31.609) 31.950 17.328 ( 24.822 0.000 35.349) 43.193 18.932 ( 7.073 0.000 -10.974) 13.056 21.056 ( -0.063 0.000 -0.378) 0.383 21.173 ( -0.834 0.000 -1.590) 1.796 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 16.198 0.000 15.514) 22.429 0.982 ( 16.724 0.000 16.229) 23.304 1.614 ( 25.906 0.000 13.635) 29.275 1.808 ( -2.383 0.000 -14.158) 14.357 2.048 ( 6.611 0.000 -6.419) 9.214 2.076 ( 2.637 0.000 -2.837) 3.873 2.264 ( -2.057 0.000 3.273) 3.866 2.296 ( -9.996 0.000 -1.974) 10.189 2.360 ( 2.251 0.000 -2.906) 3.676 2.656 ( -6.530 0.000 1.748) 6.759 2.672 ( -10.126 0.000 4.692) 11.160 2.972 ( 7.055 0.000 5.709) 9.076 3.032 ( -5.329 0.000 -2.242) 5.781 3.125 ( -0.600 0.000 8.007) 8.030 3.290 ( -6.922 0.000 10.013) 12.172 3.349 ( -8.955 0.000 3.704) 9.691 3.512 ( -5.970 0.000 -6.049) 8.499 3.620 ( 5.857 0.000 4.473) 7.369 3.705 ( 9.320 0.000 -4.149) 10.202 3.916 ( -12.770 0.000 -2.699) 13.052 4.289 ( 0.288 0.000 2.256) 2.275 4.484 ( -9.491 0.000 -12.363) 15.586 4.569 ( 8.304 0.000 0.758) 8.339 4.711 ( -1.248 0.000 -3.376) 3.600 5.045 ( 2.168 0.000 -3.036) 3.731 5.304 ( 3.264 0.000 2.567) 4.152 5.354 ( -3.711 0.000 0.917) 3.823 5.547 ( -4.553 0.000 -5.167) 6.887 6.065 ( -2.704 0.000 1.010) 2.886 6.332 ( -1.979 0.000 -2.330) 3.057 6.499 ( -4.265 0.000 -5.499) 6.959 6.776 ( -6.807 0.000 4.691) 8.267 6.847 ( 3.652 0.000 6.462) 7.422 7.057 ( 4.679 0.000 -6.149) 7.727 7.585 ( -4.217 0.000 1.727) 4.557 7.598 ( -2.276 0.000 3.491) 4.168 8.109 ( 2.392 0.000 -3.118) 3.929 8.170 ( 7.363 0.000 -2.523) 7.783 8.800 ( -0.061 0.000 -0.109) 0.125 8.994 ( -0.541 0.000 1.881) 1.957 9.036 ( -11.043 0.000 4.587) 11.957 9.175 ( -8.859 0.000 1.969) 9.075 9.427 ( 3.078 0.000 3.292) 4.506 9.723 ( -0.954 0.000 -3.741) 3.861 10.173 ( 11.608 0.000 -1.688) 11.730 10.323 ( 15.372 0.000 -2.283) 15.541 10.571 ( 17.235 0.000 6.415) 18.390 10.992 ( -4.040 0.000 -5.331) 6.688 12.719 ( -1.487 0.000 6.265) 6.439 13.053 ( -8.187 0.000 -2.794) 8.651 13.074 ( -5.542 0.000 5.885) 8.084 14.395 ( -30.883 0.000 -21.130) 37.420 14.943 ( 7.876 0.000 1.829) 8.086 14.986 ( 3.978 0.000 -9.618) 10.408 15.558 ( -1.381 0.000 6.826) 6.964 15.658 ( 3.004 0.000 -8.054) 8.596 18.052 ( 20.026 0.000 28.202) 34.589 18.916 ( 4.049 0.000 -7.616) 8.625 21.046 ( -0.375 0.000 -0.833) 0.913 21.130 ( -1.421 0.000 -2.714) 3.064 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 15.557 0.000 12.699) 20.082 1.384 ( 12.236 0.000 11.696) 16.926 1.660 ( 1.213 0.000 -6.020) 6.141 1.793 ( 0.211 0.000 -6.345) 6.349 1.994 ( -5.513 0.000 -7.234) 9.095 2.203 ( 6.010 0.000 -3.776) 7.098 2.251 ( 0.361 0.000 4.724) 4.737 2.303 ( 4.981 0.000 2.207) 5.448 2.357 ( -5.928 0.000 -0.614) 5.960 2.551 ( -6.508 0.000 2.387) 6.932 2.552 ( -10.715 0.000 3.664) 11.324 2.891 ( -5.985 0.000 -5.073) 7.846 3.064 ( 3.294 0.000 1.470) 3.607 3.210 ( 0.916 0.000 5.529) 5.604 3.278 ( -5.014 0.000 5.563) 7.489 3.340 ( 11.132 0.000 5.554) 12.441 3.510 ( -0.412 0.000 3.930) 3.951 3.702 ( -10.803 0.000 0.427) 10.811 3.746 ( -0.188 0.000 9.422) 9.423 3.778 ( 10.197 0.000 -8.601) 13.340 4.190 ( -10.267 0.000 -10.720) 14.843 4.324 ( 2.079 0.000 -0.968) 2.293 4.648 ( -0.914 0.000 -4.448) 4.541 4.705 ( 5.798 0.000 2.377) 6.266 5.044 ( 0.341 0.000 -1.450) 1.490 5.248 ( -9.242 0.000 0.162) 9.243 5.340 ( -3.344 0.000 -2.740) 4.324 5.420 ( -2.015 0.000 -1.326) 2.412 6.112 ( 4.805 0.000 2.877) 5.600 6.286 ( -1.957 0.000 0.662) 2.066 6.377 ( -4.033 0.000 -3.921) 5.625 6.684 ( -8.348 0.000 0.886) 8.395 6.914 ( -1.337 0.000 1.534) 2.035 7.037 ( 2.512 0.000 -6.525) 6.992 7.549 ( -2.623 0.000 1.681) 3.115 7.641 ( 1.444 0.000 5.545) 5.730 8.153 ( 6.774 0.000 -2.038) 7.074 8.268 ( 7.850 0.000 -1.288) 7.955 8.794 ( -1.054 0.000 -0.556) 1.191 8.904 ( -9.950 0.000 2.586) 10.281 9.008 ( -9.555 0.000 -2.834) 9.967 9.048 ( 3.083 0.000 2.437) 3.930 9.539 ( 1.450 0.000 7.259) 7.402 9.666 ( -1.381 0.000 -2.750) 3.077 10.344 ( 8.466 0.000 2.483) 8.822 10.479 ( 8.399 0.000 -5.673) 10.135 10.864 ( 11.013 0.000 4.200) 11.787 10.934 ( 3.055 0.000 -1.133) 3.259 12.792 ( 1.354 0.000 5.469) 5.634 12.885 ( -8.104 0.000 -3.368) 8.776 13.071 ( -3.788 0.000 7.760) 8.635 13.692 ( -21.532 0.000 -22.738) 31.315 15.001 ( 4.660 0.000 -3.747) 5.980 15.084 ( 6.475 0.000 2.103) 6.808 15.597 ( -1.713 0.000 -4.915) 5.205 15.608 ( 0.037 0.000 3.619) 3.619 18.596 ( 13.534 0.000 20.032) 24.176 18.891 ( 2.522 0.000 -6.021) 6.528 21.026 ( -0.762 0.000 -1.142) 1.373 21.073 ( -1.481 0.000 -2.881) 3.240 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 3.514 0.000 2.882) 4.544 1.557 ( 3.356 0.000 -0.333) 3.372 1.737 ( 2.324 0.000 0.009) 2.324 1.746 ( 2.650 0.000 5.648) 6.239 1.882 ( 3.456 0.000 -2.440) 4.231 2.066 ( -6.960 0.000 -10.126) 12.287 2.232 ( -10.855 0.000 2.792) 11.208 2.239 ( -3.354 0.000 2.215) 4.020 2.364 ( 1.770 0.000 -4.513) 4.848 2.471 ( -0.224 0.000 1.052) 1.076 2.541 ( -1.503 0.000 5.971) 6.157 2.741 ( -5.500 0.000 -4.236) 6.942 3.214 ( 9.624 0.000 -0.542) 9.639 3.261 ( 3.395 0.000 -2.717) 4.348 3.283 ( -3.152 0.000 6.608) 7.322 3.446 ( -7.281 0.000 2.034) 7.560 3.635 ( 1.451 0.000 4.535) 4.761 3.725 ( 14.727 0.000 8.754) 17.132 3.824 ( 3.604 0.000 1.221) 3.806 3.880 ( 5.429 0.000 2.554) 5.999 3.933 ( -8.870 0.000 -5.738) 10.564 4.312 ( 0.707 0.000 -4.933) 4.984 4.590 ( -0.134 0.000 -3.885) 3.887 4.785 ( 1.517 0.000 1.170) 1.915 4.959 ( -9.492 0.000 -0.269) 9.495 5.150 ( -9.556 0.000 -5.900) 11.230 5.169 ( -0.045 0.000 1.109) 1.110 5.443 ( 1.551 0.000 0.790) 1.740 6.195 ( 3.318 0.000 -2.806) 4.345 6.294 ( -2.464 0.000 -1.176) 2.730 6.333 ( 1.936 0.000 8.299) 8.522 6.554 ( -5.703 0.000 -2.190) 6.109 6.856 ( -3.977 0.000 -2.468) 4.681 7.006 ( 0.708 0.000 -3.076) 3.157 7.536 ( -1.018 0.000 0.967) 1.404 7.745 ( 3.259 0.000 4.323) 5.414 8.271 ( 9.393 0.000 -0.969) 9.442 8.401 ( 8.197 0.000 2.149) 8.474 8.692 ( -10.284 0.000 0.097) 10.284 8.796 ( -10.224 0.000 -5.237) 11.487 8.837 ( -0.945 0.000 0.349) 1.008 9.148 ( 4.386 0.000 2.515) 5.056 9.600 ( -2.219 0.000 4.227) 4.774 9.624 ( -0.880 0.000 -1.330) 1.595 10.481 ( 4.575 0.000 2.520) 5.223 10.506 ( 4.359 0.000 -4.667) 6.386 11.017 ( 4.489 0.000 1.569) 4.755 11.024 ( 5.052 0.000 1.495) 5.269 12.724 ( -6.302 0.000 -3.853) 7.387 12.850 ( 0.375 0.000 1.838) 1.876 13.135 ( 0.445 0.000 6.905) 6.920 13.254 ( -8.564 0.000 -11.197) 14.097 15.026 ( 2.280 0.000 -2.038) 3.058 15.186 ( 3.498 0.000 1.355) 3.751 15.505 ( -3.090 0.000 -3.326) 4.540 15.636 ( -0.093 0.000 1.529) 1.532 18.866 ( 1.178 0.000 -3.523) 3.715 18.932 ( 6.773 0.000 10.493) 12.489 21.001 ( -0.688 0.000 -0.877) 1.115 21.025 ( -0.929 0.000 -1.858) 2.078 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.000 0.000 0.000) 0.000 1.572 ( -0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 1.786 ( -0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 1.988 ( -0.000 0.000 0.000) 0.000 2.086 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 -0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.281 ( -0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 -0.000) 0.000 3.421 ( -0.000 0.000 0.000) 0.000 3.666 ( -0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 -0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.791 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 7.534 ( 0.000 0.000 0.000) 0.000 7.803 ( 0.000 0.000 0.000) 0.000 8.378 ( -0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.580 ( -9.057 0.000 -4.928) 10.311 8.580 ( 9.057 0.000 4.928) 10.311 8.834 ( 0.000 0.000 0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 9.609 ( 0.000 0.000 0.000) 0.000 10.521 ( 0.000 0.000 0.000) 0.000 10.534 ( 0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 0.000) 0.000 11.077 ( 0.000 0.000 0.000) 0.000 12.641 ( 0.000 0.000 0.000) 0.000 12.860 ( 0.000 0.000 0.000) 0.000 13.133 ( 0.000 0.000 0.000) 0.000 13.187 ( 0.000 0.000 0.000) 0.000 15.031 ( 0.000 0.000 0.000) 0.000 15.222 ( 0.000 0.000 0.000) 0.000 15.456 ( 0.000 0.000 0.000) 0.000 15.643 ( 0.000 0.000 0.000) 0.000 18.855 ( 0.000 0.000 0.000) 0.000 19.047 ( 0.000 0.000 0.000) 0.000 20.990 ( 0.000 0.000 0.000) 0.000 21.006 ( 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.000 23.465 0.000) 23.465 0.532 ( 0.000 26.148 0.000) 26.148 0.898 ( 0.000 42.767 0.000) 42.767 1.899 ( 0.000 0.920 0.000) 0.920 2.076 ( 0.000 1.423 0.000) 1.423 2.233 ( 0.000 -0.423 0.000) 0.423 2.382 ( 0.000 -10.345 0.000) 10.345 2.441 ( 0.000 -2.771 0.000) 2.771 2.467 ( 0.000 -1.237 0.000) 1.237 2.622 ( 0.000 2.169 0.000) 2.169 2.713 ( 0.000 -3.866 0.000) 3.866 2.817 ( 0.000 -2.768 0.000) 2.768 2.942 ( 0.000 0.410 0.000) 0.410 3.073 ( 0.000 -6.690 0.000) 6.690 3.262 ( 0.000 1.554 0.000) 1.554 3.265 ( 0.000 2.758 0.000) 2.758 3.559 ( 0.000 5.586 0.000) 5.586 3.619 ( 0.000 15.268 0.000) 15.268 3.764 ( 0.000 -11.579 0.000) 11.579 4.233 ( 0.000 -1.882 0.000) 1.882 4.266 ( 0.000 -3.599 0.000) 3.599 4.463 ( 0.000 -0.232 0.000) 0.232 4.746 ( 0.000 -1.073 0.000) 1.073 4.867 ( 0.000 -1.878 0.000) 1.878 5.045 ( 0.000 2.981 0.000) 2.981 5.127 ( 0.000 -0.753 0.000) 0.753 5.325 ( 0.000 -0.710 0.000) 0.710 5.585 ( 0.000 -2.083 0.000) 2.083 6.248 ( 0.000 -0.296 0.000) 0.296 6.478 ( 0.000 -5.192 0.000) 5.192 6.538 ( 0.000 7.884 0.000) 7.884 6.702 ( 0.000 -6.281 0.000) 6.281 6.768 ( 0.000 -2.000 0.000) 2.000 6.923 ( 0.000 9.095 0.000) 9.095 7.628 ( 0.000 -0.761 0.000) 0.761 7.898 ( 0.000 -4.003 0.000) 4.003 8.199 ( 0.000 2.486 0.000) 2.486 8.762 ( 0.000 -2.492 0.000) 2.492 8.842 ( 0.000 8.139 0.000) 8.139 8.879 ( 0.000 -7.744 0.000) 7.744 9.028 ( 0.000 0.853 0.000) 0.853 9.211 ( 0.000 3.154 0.000) 3.154 9.296 ( 0.000 -0.050 0.000) 0.050 9.707 ( 0.000 12.523 0.000) 12.523 9.723 ( 0.000 -5.704 0.000) 5.704 9.954 ( 0.000 -3.363 0.000) 3.363 10.173 ( 0.000 8.726 0.000) 8.726 11.129 ( 0.000 -4.104 0.000) 4.104 12.735 ( 0.000 2.985 0.000) 2.985 13.106 ( 0.000 -0.621 0.000) 0.621 13.174 ( 0.000 -6.589 0.000) 6.589 14.670 ( 0.000 -11.206 0.000) 11.206 15.083 ( 0.000 2.190 0.000) 2.190 15.367 ( 0.000 0.708 0.000) 0.708 15.390 ( 0.000 -11.437 0.000) 11.437 16.273 ( 0.000 -7.302 0.000) 7.302 16.990 ( 0.000 31.881 0.000) 31.881 18.848 ( 0.000 0.509 0.000) 0.509 21.045 ( 0.000 -1.330 0.000) 1.330 21.174 ( 0.000 -1.553 0.000) 1.553 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 5.088 16.892 12.129) 21.409 0.652 ( 16.146 15.768 4.540) 23.020 1.286 ( 23.835 30.695 17.325) 42.549 1.896 ( 2.592 0.459 -3.836) 4.653 2.069 ( 1.864 0.972 -4.868) 5.303 2.167 ( -4.064 -4.727 -13.049) 14.461 2.242 ( -3.356 -3.895 2.971) 5.938 2.324 ( -3.834 -1.587 -5.298) 6.729 2.501 ( -4.634 -2.379 -0.227) 5.214 2.638 ( -1.457 -3.219 4.100) 5.413 2.701 ( -0.593 -4.238 -0.519) 4.310 2.811 ( -3.776 0.103 2.978) 4.810 2.990 ( -3.381 -0.183 13.236) 13.662 3.183 ( -3.794 -8.801 11.605) 15.051 3.213 ( -1.081 4.788 -3.949) 6.300 3.274 ( -5.036 -0.530 10.220) 11.406 3.480 ( -1.058 0.324 2.274) 2.529 3.662 ( 8.605 9.639 -4.687) 13.745 3.863 ( 3.936 0.932 -7.581) 8.593 4.083 ( -9.756 -3.297 -3.794) 10.975 4.344 ( 4.161 -1.159 -0.787) 4.390 4.472 ( 5.060 2.684 -3.959) 6.963 4.672 ( -5.983 -2.982 -5.216) 8.479 4.765 ( -3.198 0.840 -0.430) 3.335 5.103 ( 0.622 3.312 -2.812) 4.389 5.204 ( 5.019 -1.790 2.061) 5.713 5.343 ( 0.743 -1.890 0.685) 2.143 5.528 ( -5.143 -6.659 1.821) 8.609 6.165 ( -6.359 0.498 -1.231) 6.496 6.443 ( -0.298 2.658 -3.476) 4.386 6.594 ( -3.946 -2.932 0.202) 4.921 6.670 ( 3.746 1.206 3.494) 5.263 6.874 ( 1.668 -4.528 4.601) 6.667 6.923 ( 3.173 6.125 -0.868) 6.952 7.609 ( -1.586 -0.455 -0.821) 1.843 7.844 ( -3.219 2.536 -5.467) 6.832 8.176 ( 0.847 3.553 -4.071) 5.469 8.257 ( -14.627 18.025 -4.130) 23.578 8.775 ( -1.484 -3.823 1.920) 4.528 8.913 ( -1.456 -7.388 4.923) 8.997 9.113 ( -9.432 -0.990 3.088) 9.973 9.203 ( -0.325 -0.587 5.342) 5.384 9.526 ( -7.193 4.985 -4.924) 10.042 9.713 ( 1.713 -5.380 -4.624) 7.298 9.854 ( 27.286 -6.102 2.698) 28.090 10.148 ( 15.302 -0.430 3.288) 15.658 10.259 ( 8.733 8.560 2.648) 12.513 11.078 ( -3.592 -3.830 -3.645) 6.392 12.684 ( -2.282 1.399 -1.380) 3.012 13.084 ( -2.875 -1.622 1.154) 3.497 13.203 ( 4.784 -1.330 -4.737) 6.863 14.625 ( -6.547 -15.300 -1.737) 16.732 14.991 ( -5.483 13.126 -2.243) 14.401 15.217 ( -8.436 -2.280 3.633) 9.464 15.582 ( 13.149 -6.614 -7.367) 16.460 15.890 ( -13.481 10.631 -20.613) 26.826 17.425 ( 15.864 11.497 31.889) 37.427 18.868 ( 1.837 -3.338 -1.745) 4.191 21.042 ( -0.087 -1.376 -0.449) 1.450 21.161 ( -0.556 -1.307 -1.531) 2.088 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 11.008 5.679 16.987) 21.023 1.031 ( 19.303 6.967 8.935) 22.382 1.800 ( -0.362 0.382 -12.304) 12.316 1.855 ( 19.467 17.254 10.059) 27.890 2.029 ( -0.384 -2.574 -6.885) 7.360 2.064 ( 5.721 -0.033 -2.138) 6.107 2.211 ( -5.556 -5.040 1.807) 7.716 2.294 ( 1.323 -2.639 -0.630) 3.019 2.344 ( -5.224 2.438 -1.571) 5.975 2.623 ( -6.176 -2.517 3.913) 7.732 2.661 ( -7.105 -2.135 2.196) 7.737 2.863 ( 4.281 -6.967 4.111) 9.153 3.019 ( -5.259 -1.183 2.399) 5.900 3.175 ( 1.330 -0.990 -1.359) 2.144 3.210 ( -8.879 -0.980 15.948) 18.280 3.290 ( -6.792 -3.955 3.282) 8.518 3.516 ( -1.116 3.170 4.148) 5.339 3.732 ( -3.493 4.124 -2.177) 5.827 3.754 ( 7.904 5.269 -6.976) 11.785 3.929 ( -4.681 -0.023 -5.429) 7.168 4.356 ( 0.066 4.082 0.528) 4.117 4.461 ( -5.838 -2.097 -8.220) 10.298 4.582 ( 5.574 1.715 -0.429) 5.848 4.715 ( -1.505 0.864 -2.611) 3.136 5.063 ( -0.167 1.349 -3.004) 3.298 5.280 ( 2.446 -1.983 1.522) 3.498 5.313 ( -4.994 -4.763 -0.324) 6.909 5.479 ( -3.400 -5.241 -0.457) 6.264 6.087 ( -2.098 1.964 1.435) 3.212 6.396 ( -1.128 5.024 -2.511) 5.729 6.499 ( -3.990 0.174 -2.862) 4.913 6.752 ( -2.938 0.851 2.919) 4.228 6.896 ( 0.204 0.120 4.255) 4.262 7.009 ( 5.846 -0.861 -2.148) 6.288 7.570 ( -2.350 0.130 0.206) 2.363 7.724 ( -3.929 6.729 -2.916) 8.320 8.137 ( -1.065 4.306 0.123) 4.437 8.194 ( 5.136 2.028 -3.071) 6.319 8.774 ( 0.190 -2.740 -0.345) 2.768 8.946 ( -3.943 -6.244 5.971) 9.496 9.003 ( -5.029 -0.174 1.569) 5.271 9.189 ( -9.944 1.001 2.260) 10.246 9.433 ( 1.443 0.456 2.022) 2.526 9.669 ( -0.860 -5.199 -3.704) 6.441 10.197 ( 14.080 1.525 1.253) 14.217 10.380 ( 13.087 4.673 -1.164) 13.945 10.542 ( 16.403 -1.203 6.100) 17.542 10.952 ( -4.421 -3.628 -5.540) 7.962 12.670 ( 0.090 -1.077 2.165) 2.419 13.046 ( -4.986 -2.728 3.667) 6.764 13.199 ( 1.570 10.517 -4.911) 11.713 14.320 ( -18.006 -6.626 -17.278) 25.820 14.919 ( -0.808 7.992 0.954) 8.089 15.163 ( 3.835 5.315 -6.104) 8.956 15.582 ( -0.912 -1.376 -6.368) 6.578 15.715 ( 2.021 7.895 0.713) 8.180 18.014 ( 14.117 -2.720 27.176) 30.744 18.857 ( 0.453 -5.248 -3.064) 6.094 21.031 ( -0.265 -1.380 -0.994) 1.721 21.124 ( -0.954 -0.643 -2.574) 2.819 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 12.115 0.771 14.636) 19.015 1.413 ( 14.193 4.394 7.970) 16.860 1.676 ( 1.397 1.145 -5.531) 5.818 1.906 ( 0.168 5.670 -8.662) 10.354 1.984 ( -6.364 0.882 -4.686) 7.952 2.173 ( 3.417 -2.348 -3.515) 5.436 2.209 ( 5.567 -3.337 2.546) 6.972 2.271 ( 1.295 -2.436 1.375) 3.082 2.361 ( -6.299 0.820 -0.538) 6.375 2.533 ( -10.876 -1.150 1.854) 11.093 2.560 ( -6.274 0.062 5.141) 8.111 2.886 ( -5.296 -3.487 -2.871) 6.961 3.003 ( 4.200 -1.115 3.480) 5.567 3.186 ( 2.047 -5.204 -1.295) 5.741 3.235 ( -0.727 -2.072 8.097) 8.389 3.340 ( 5.065 0.302 11.908) 12.944 3.569 ( 1.628 6.058 3.579) 7.222 3.646 ( -6.519 -2.097 0.617) 6.876 3.784 ( -3.880 1.436 -6.452) 7.665 3.825 ( 5.793 4.074 -2.808) 7.619 4.246 ( -7.907 3.210 -7.540) 11.388 4.388 ( 2.467 5.151 0.379) 5.724 4.660 ( -1.238 1.923 -2.424) 3.332 4.688 ( 4.907 -1.444 1.561) 5.348 5.038 ( -1.096 -0.841 -1.148) 1.796 5.179 ( -8.656 -6.076 -1.252) 10.649 5.309 ( -2.122 -2.475 -1.095) 3.439 5.402 ( -2.265 -2.294 -1.217) 3.445 6.136 ( 4.157 1.769 2.689) 5.257 6.359 ( -1.538 6.179 0.316) 6.375 6.410 ( -3.218 3.550 -2.269) 5.302 6.664 ( -7.103 -0.436 -1.193) 7.216 6.937 ( -0.029 0.664 -0.052) 0.667 7.047 ( 2.085 1.966 -2.205) 3.616 7.550 ( -1.607 0.459 1.804) 2.459 7.683 ( 0.292 3.035 1.355) 3.336 8.164 ( 4.460 1.224 -0.660) 4.672 8.272 ( 6.735 0.461 -0.512) 6.770 8.763 ( -2.052 -3.101 -0.285) 3.729 8.874 ( -7.510 -2.184 2.745) 8.288 8.979 ( -8.762 -3.807 -2.073) 9.776 9.061 ( 0.633 2.000 2.162) 3.012 9.530 ( 1.238 -0.871 7.172) 7.330 9.614 ( -0.979 -4.941 -2.891) 5.808 10.382 ( 6.963 3.077 2.785) 8.106 10.532 ( 8.334 4.805 -5.051) 10.866 10.823 ( 9.867 -4.558 4.118) 11.623 10.877 ( 3.366 -4.359 -2.307) 5.970 12.725 ( 2.861 -1.030 2.176) 3.738 13.025 ( -3.778 -3.282 6.038) 7.842 13.153 ( -0.607 20.080 -3.922) 20.468 13.796 ( -16.257 9.340 -21.480) 28.511 14.983 ( 5.953 1.075 1.431) 6.216 15.176 ( 3.066 5.382 -2.489) 6.675 15.539 ( -1.059 -2.185 0.003) 2.429 15.737 ( -0.262 8.900 -0.559) 8.921 18.464 ( 9.879 -12.056 17.720) 23.600 18.823 ( -0.811 -7.027 -1.768) 7.292 21.012 ( -0.323 -1.065 -1.365) 1.761 21.077 ( -1.140 0.122 -2.661) 2.898 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 3.802 0.220 7.038) 8.002 1.571 ( 3.400 2.431 2.566) 4.904 1.716 ( 1.324 2.270 -1.926) 3.258 1.862 ( 1.648 6.355 -0.589) 6.592 1.901 ( 5.597 1.995 -1.162) 6.055 2.048 ( -5.749 -1.847 -9.871) 11.572 2.203 ( -6.144 -2.895 2.109) 7.112 2.249 ( -7.278 1.076 2.412) 7.742 2.329 ( 1.436 -2.902 -3.897) 5.066 2.423 ( 1.037 -2.552 1.638) 3.205 2.555 ( -3.199 0.247 6.531) 7.277 2.738 ( -6.088 -1.244 -4.459) 7.648 3.129 ( 5.713 -4.129 1.881) 7.296 3.241 ( 3.555 -3.020 0.837) 4.739 3.328 ( 3.047 1.275 0.021) 3.303 3.503 ( -5.600 3.987 2.080) 7.182 3.599 ( 4.292 -8.076 2.765) 9.554 3.648 ( 0.107 2.143 1.265) 2.491 3.724 ( 3.177 -4.098 7.801) 9.367 3.890 ( 4.550 0.602 -0.929) 4.683 4.071 ( -4.660 6.269 -4.253) 8.894 4.410 ( 1.677 8.319 -2.672) 8.897 4.628 ( 0.370 3.665 -1.589) 4.011 4.756 ( 1.322 -2.670 1.042) 3.156 4.927 ( -9.475 -3.089 -0.523) 9.980 5.093 ( -3.147 -3.159 -1.627) 4.746 5.193 ( -3.948 0.095 -2.369) 4.606 5.411 ( 1.345 -3.126 0.535) 3.445 6.221 ( 3.678 -0.255 -0.615) 3.737 6.335 ( -2.648 7.482 -0.857) 7.983 6.395 ( 1.039 4.177 5.048) 6.634 6.537 ( -5.039 -0.260 -2.568) 5.662 6.895 ( -2.247 3.309 -2.652) 4.800 7.039 ( 0.126 3.257 -1.489) 3.583 7.550 ( -0.658 1.186 1.203) 1.813 7.745 ( 2.910 -0.114 2.888) 4.101 8.256 ( 7.875 -1.245 -1.082) 8.046 8.395 ( 6.718 -0.649 2.813) 7.312 8.659 ( -9.860 -3.171 0.164) 10.359 8.777 ( -8.922 -1.944 -4.130) 10.022 8.830 ( -1.276 -0.333 0.174) 1.330 9.139 ( 3.520 -0.827 2.227) 4.247 9.575 ( -0.704 -4.051 -0.415) 4.132 9.593 ( -1.900 -1.306 3.372) 4.085 10.494 ( 3.403 1.596 2.493) 4.510 10.557 ( 3.627 4.327 -4.670) 7.327 10.943 ( 4.683 -7.666 1.395) 9.091 10.987 ( 5.076 -3.223 0.928) 6.084 12.791 ( 2.843 4.338 1.696) 5.457 13.052 ( -3.968 4.291 5.764) 8.209 13.115 ( 2.964 15.817 -3.763) 16.527 13.381 ( -9.786 12.164 -13.139) 20.405 15.101 ( 6.040 5.137 0.211) 7.932 15.198 ( 1.468 2.507 0.423) 2.936 15.525 ( -0.791 1.051 -0.024) 1.316 15.697 ( -3.029 6.828 -0.926) 7.527 18.696 ( 4.130 -15.592 1.330) 16.185 18.829 ( -0.040 -11.090 6.441) 12.825 20.995 ( -0.015 -0.395 -0.989) 1.065 21.033 ( -1.007 0.546 -1.734) 2.078 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -0.000 1.905 -0.000) 1.905 1.594 ( 0.000 4.897 0.000) 4.897 1.727 ( 0.000 0.379 0.000) 0.379 1.882 ( -0.000 4.596 0.000) 4.596 1.947 ( -0.000 -1.975 -0.000) 1.975 2.025 ( -0.000 3.312 0.000) 3.312 2.106 ( 0.000 1.340 0.000) 1.340 2.190 ( 0.000 -3.539 0.000) 3.539 2.308 ( 0.000 -1.815 -0.000) 1.815 2.472 ( 0.000 -1.664 0.000) 1.664 2.577 ( 0.000 -0.620 0.000) 0.620 2.649 ( -0.000 -1.142 -0.000) 1.142 3.212 ( -0.000 -4.216 -0.000) 4.216 3.255 ( 0.000 -2.459 0.000) 2.459 3.329 ( 0.000 4.885 0.000) 4.885 3.481 ( -0.000 0.865 0.000) 0.865 3.602 ( -0.000 -10.945 0.000) 10.945 3.664 ( 0.000 2.716 -0.000) 2.716 3.886 ( -0.000 -5.734 -0.000) 5.734 3.900 ( 0.000 -5.073 0.000) 5.073 4.014 ( -0.000 6.732 0.000) 6.732 4.407 ( 0.000 10.295 0.000) 10.295 4.624 ( -0.000 5.366 0.000) 5.366 4.769 ( 0.000 -2.416 0.000) 2.416 4.836 ( 0.000 -2.256 0.000) 2.256 5.011 ( -0.000 0.179 0.000) 0.179 5.176 ( 0.000 -1.395 0.000) 1.395 5.427 ( 0.000 -3.278 0.000) 3.278 6.252 ( -0.000 -2.031 -0.000) 2.031 6.296 ( 0.000 9.267 0.000) 9.267 6.456 ( -0.000 -2.776 -0.000) 2.776 6.473 ( 0.000 5.478 0.000) 5.478 6.851 ( 0.000 5.348 0.000) 5.348 7.030 ( 0.000 3.440 0.000) 3.440 7.552 ( 0.000 1.497 0.000) 1.497 7.792 ( 0.000 -0.988 0.000) 0.988 8.348 ( -0.000 -2.925 0.000) 2.925 8.493 ( 0.000 -4.402 -0.000) 4.402 8.564 ( -0.000 -1.542 -0.000) 1.542 8.627 ( 0.000 1.516 0.000) 1.516 8.825 ( 0.000 -0.499 0.000) 0.499 9.187 ( 0.000 -1.747 0.000) 1.747 9.567 ( 0.000 -3.995 0.000) 3.995 9.588 ( 0.000 -0.841 0.000) 0.841 10.549 ( 0.000 1.689 0.000) 1.689 10.551 ( -0.000 2.858 -0.000) 2.858 10.992 ( -0.000 -7.994 0.000) 7.994 11.031 ( 0.000 -3.261 -0.000) 3.261 12.844 ( 0.000 14.319 0.000) 14.319 13.013 ( 0.000 10.883 0.000) 10.883 13.146 ( 0.000 0.878 -0.000) 0.878 13.221 ( -0.000 13.331 0.000) 13.331 15.146 ( 0.000 10.195 0.000) 10.195 15.226 ( 0.000 -0.461 0.000) 0.461 15.518 ( 0.000 6.283 0.000) 6.283 15.657 ( 0.000 1.945 0.000) 1.945 18.714 ( -0.000 -13.700 -0.000) 13.700 18.886 ( 0.000 -15.768 0.000) 15.768 20.990 ( 0.000 0.069 0.000) 0.069 21.013 ( 0.000 0.556 0.000) 0.556 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.000 21.105 0.000) 21.105 1.031 ( 0.000 23.756 0.000) 23.756 1.614 ( 0.000 25.431 0.000) 25.431 1.895 ( 0.000 -1.881 0.000) 1.881 2.150 ( 0.000 7.880 0.000) 7.880 2.159 ( 0.000 -8.808 0.000) 8.808 2.200 ( 0.000 -3.853 0.000) 3.853 2.348 ( 0.000 -6.396 0.000) 6.396 2.454 ( 0.000 -0.585 0.000) 0.585 2.641 ( 0.000 -2.700 0.000) 2.700 2.646 ( 0.000 -2.542 0.000) 2.542 2.726 ( 0.000 -4.652 0.000) 4.652 2.909 ( 0.000 -3.244 0.000) 3.244 2.978 ( 0.000 -2.807 0.000) 2.807 3.333 ( 0.000 4.078 0.000) 4.078 3.392 ( 0.000 9.919 0.000) 9.919 3.498 ( 0.000 -10.544 0.000) 10.544 3.692 ( 0.000 6.859 0.000) 6.859 3.898 ( 0.000 10.914 0.000) 10.914 4.180 ( 0.000 -3.212 0.000) 3.212 4.204 ( 0.000 -1.640 0.000) 1.640 4.471 ( 0.000 0.626 0.000) 0.626 4.711 ( 0.000 -2.235 0.000) 2.235 4.811 ( 0.000 -3.630 0.000) 3.630 5.055 ( 0.000 -2.123 0.000) 2.123 5.161 ( 0.000 4.337 0.000) 4.337 5.273 ( 0.000 -4.617 0.000) 4.617 5.531 ( 0.000 -3.189 0.000) 3.189 6.242 ( 0.000 -0.016 0.000) 0.016 6.381 ( 0.000 -4.291 0.000) 4.291 6.567 ( 0.000 -5.655 0.000) 5.655 6.704 ( 0.000 -4.448 0.000) 4.448 6.759 ( 0.000 12.748 0.000) 12.748 7.113 ( 0.000 9.188 0.000) 9.188 7.607 ( 0.000 -1.346 0.000) 1.346 7.805 ( 0.000 -5.204 0.000) 5.204 8.230 ( 0.000 0.885 0.000) 0.885 8.586 ( 0.000 -10.847 0.000) 10.847 8.849 ( 0.000 1.288 0.000) 1.288 8.951 ( 0.000 1.441 0.000) 1.441 9.066 ( 0.000 3.097 0.000) 3.097 9.332 ( 0.000 3.432 0.000) 3.432 9.379 ( 0.000 13.392 0.000) 13.392 9.589 ( 0.000 -7.475 0.000) 7.475 9.875 ( 0.000 -4.551 0.000) 4.551 9.918 ( 0.000 7.706 0.000) 7.706 10.368 ( 0.000 10.460 0.000) 10.460 11.023 ( 0.000 -6.052 0.000) 6.052 12.810 ( 0.000 4.181 0.000) 4.181 13.041 ( 0.000 -5.773 0.000) 5.773 13.106 ( 0.000 1.230 0.000) 1.230 14.286 ( 0.000 -24.359 0.000) 24.359 15.137 ( 0.000 3.818 0.000) 3.818 15.335 ( 0.000 3.204 0.000) 3.204 15.385 ( 0.000 1.049 0.000) 1.049 16.071 ( 0.000 -12.539 0.000) 12.539 17.650 ( 0.000 32.360 0.000) 32.360 18.851 ( 0.000 -0.655 0.000) 0.655 21.012 ( 0.000 -1.699 0.000) 1.699 21.128 ( 0.000 -3.012 0.000) 3.012 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -0.811 21.061 0.238) 21.078 1.000 ( 8.262 17.817 1.668) 19.710 1.821 ( 11.791 15.550 8.680) 21.358 1.896 ( 1.165 0.612 -2.867) 3.155 2.001 ( -4.137 -8.400 -11.547) 14.867 2.131 ( 1.343 1.884 -5.054) 5.558 2.186 ( -2.640 2.372 3.941) 5.303 2.316 ( -2.628 -1.845 -2.181) 3.882 2.416 ( -2.100 -3.338 1.308) 4.155 2.601 ( -3.558 -2.880 -0.939) 4.673 2.622 ( -1.244 -3.311 -0.928) 3.657 2.772 ( 1.538 -2.929 -0.906) 3.430 2.978 ( -4.049 -0.807 14.163) 14.752 3.035 ( -1.972 -5.091 7.680) 9.423 3.331 ( -8.086 6.567 6.185) 12.115 3.355 ( -5.792 4.340 -0.065) 7.238 3.456 ( 5.760 0.848 3.903) 7.010 3.777 ( 6.780 2.921 -2.924) 7.940 3.931 ( 4.980 5.945 -6.134) 9.888 4.034 ( -9.165 -1.679 -5.619) 10.881 4.279 ( 4.283 -3.540 1.867) 5.862 4.479 ( 1.680 -1.366 -3.006) 3.704 4.647 ( -1.273 -0.575 -5.156) 5.342 4.795 ( -2.355 1.591 1.092) 3.045 5.094 ( 1.716 -5.068 -0.070) 5.351 5.178 ( 1.049 -0.169 1.047) 1.491 5.287 ( 0.808 -2.779 -0.497) 2.937 5.440 ( -8.735 -2.834 0.988) 9.237 6.185 ( -4.328 1.758 -0.668) 4.720 6.408 ( 0.599 -4.293 1.233) 4.507 6.567 ( 1.903 -1.706 -1.964) 3.223 6.759 ( 2.195 -3.719 3.399) 5.495 6.789 ( 2.855 8.511 1.583) 9.116 7.086 ( -1.320 8.288 -1.917) 8.608 7.595 ( -1.007 -1.034 -0.485) 1.523 7.802 ( 0.917 -3.962 -1.912) 4.494 8.222 ( 0.806 1.548 -1.926) 2.599 8.597 ( -9.201 6.432 -9.607) 14.775 8.622 ( -8.892 -2.571 4.696) 10.379 8.852 ( -0.968 0.424 1.843) 2.125 9.104 ( -5.052 -0.541 1.520) 5.303 9.210 ( -3.863 1.831 5.392) 6.881 9.562 ( -3.170 -5.360 1.095) 6.323 9.624 ( -8.093 0.129 -8.932) 12.053 9.822 ( 24.032 2.075 5.848) 24.820 10.171 ( 15.345 1.632 2.324) 15.605 10.443 ( 5.700 9.431 3.354) 11.519 10.983 ( -3.119 -5.247 -2.564) 6.621 12.753 ( -1.943 4.685 -4.159) 6.559 13.021 ( -0.849 -4.314 -1.890) 4.785 13.204 ( 12.903 2.764 -2.539) 13.438 14.281 ( 0.681 -18.580 -3.718) 18.960 15.158 ( 3.950 4.242 -2.238) 6.213 15.281 ( -6.459 7.196 1.524) 9.789 15.475 ( 10.370 -3.165 -3.863) 11.510 15.931 ( -5.538 -5.356 -10.628) 13.127 17.775 ( -0.764 21.724 20.093) 29.602 18.816 ( -5.991 -2.637 2.715) 7.087 21.009 ( 0.109 -1.599 -0.628) 1.722 21.121 ( 0.145 -2.626 -1.426) 2.992 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 5.587 11.421 8.522) 15.306 1.228 ( 15.070 11.394 4.354) 19.387 1.749 ( -0.130 -2.968 -11.289) 11.674 1.937 ( 0.454 -5.013 -2.993) 5.856 2.046 ( 6.157 -1.405 -0.843) 6.372 2.087 ( -1.956 -4.850 -1.450) 5.427 2.233 ( -1.116 4.048 2.709) 4.997 2.275 ( 0.700 6.394 -3.149) 7.161 2.389 ( 1.215 3.110 1.498) 3.659 2.568 ( -5.434 -3.749 6.113) 8.997 2.590 ( -2.506 -3.887 0.926) 4.716 2.753 ( 0.272 -3.108 -2.205) 3.820 3.020 ( -1.970 1.242 5.059) 5.570 3.093 ( -5.246 -1.258 12.796) 13.887 3.251 ( -8.961 0.846 2.461) 9.331 3.283 ( -6.828 3.197 5.926) 9.590 3.629 ( 4.877 7.634 5.386) 10.540 3.780 ( -6.761 2.070 -6.428) 9.556 3.849 ( 5.609 2.447 -0.885) 6.184 3.920 ( 1.082 0.070 -9.236) 9.300 4.354 ( 1.960 -3.506 0.564) 4.056 4.413 ( -2.448 -2.494 -4.610) 5.785 4.627 ( 2.659 1.658 -1.857) 3.642 4.769 ( -1.733 4.514 0.552) 4.867 5.068 ( -2.569 -2.039 -2.318) 4.016 5.172 ( -4.794 -7.310 -0.135) 8.743 5.246 ( -0.701 -1.433 -0.595) 1.702 5.383 ( -2.330 -4.343 0.960) 5.022 6.137 ( -1.015 3.059 0.920) 3.352 6.414 ( -0.911 -2.056 0.888) 2.418 6.577 ( 2.024 5.368 -2.432) 6.231 6.787 ( -1.971 -0.631 -0.572) 2.147 6.872 ( 3.453 2.865 3.162) 5.489 7.066 ( 1.274 4.551 -0.217) 4.731 7.572 ( -1.138 -0.087 -0.006) 1.141 7.780 ( 0.135 -0.496 -4.046) 4.078 8.232 ( 3.087 2.353 -1.241) 4.075 8.303 ( -10.813 10.316 -1.763) 15.048 8.665 ( 0.586 -8.116 2.580) 8.537 8.861 ( -1.645 -1.619 3.028) 3.807 8.992 ( -7.941 -0.761 0.986) 8.038 9.216 ( -7.764 1.732 3.969) 8.890 9.441 ( -1.560 0.191 0.116) 1.576 9.533 ( -1.075 -7.866 -3.123) 8.531 10.209 ( 15.752 -0.033 4.311) 16.331 10.432 ( 13.868 -0.855 1.411) 13.966 10.588 ( 8.002 5.743 1.578) 9.975 10.881 ( -3.585 -2.621 -4.483) 6.310 12.712 ( 1.794 4.393 -2.133) 5.202 12.980 ( -2.244 -3.324 -0.233) 4.017 13.422 ( 18.930 12.084 -6.197) 23.297 14.203 ( 0.263 -5.014 -11.604) 12.644 15.139 ( -7.759 10.796 -2.872) 13.602 15.214 ( 4.613 1.723 -3.095) 5.816 15.533 ( 1.817 -2.166 -3.917) 4.831 15.838 ( 4.717 1.804 -2.120) 5.477 18.003 ( -2.951 2.851 23.405) 23.762 18.730 ( -8.592 -7.329 3.168) 11.729 21.002 ( 0.369 -1.206 -1.274) 1.792 21.101 ( 0.062 -1.714 -2.373) 2.928 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 8.246 2.957 11.195) 14.215 1.535 ( 13.262 6.623 5.518) 15.818 1.695 ( 4.399 1.303 -3.814) 5.966 1.893 ( 0.591 -2.106 -3.782) 4.369 2.020 ( -4.344 -0.519 -1.900) 4.770 2.106 ( 2.995 -3.661 -4.044) 6.223 2.176 ( -0.295 -7.372 -1.156) 7.468 2.269 ( 2.921 6.940 -3.705) 8.392 2.389 ( -5.423 2.087 -2.826) 6.461 2.516 ( -8.841 -0.185 1.608) 8.988 2.536 ( -6.076 -3.178 5.591) 8.847 2.747 ( -0.676 -7.781 -1.103) 7.888 3.050 ( -2.648 2.035 2.818) 4.370 3.116 ( -0.674 1.389 1.682) 2.283 3.184 ( -0.050 -2.076 6.095) 6.439 3.344 ( 0.168 0.334 15.084) 15.089 3.647 ( -4.639 1.941 -0.167) 5.032 3.718 ( 1.219 5.271 -0.064) 5.410 3.793 ( -2.087 0.515 -11.373) 11.575 3.926 ( 2.192 6.256 1.821) 6.874 4.263 ( -4.745 -0.670 -5.274) 7.126 4.456 ( 5.494 0.800 2.207) 5.975 4.650 ( 1.353 -1.541 -0.202) 2.061 4.755 ( -1.584 6.439 1.658) 6.835 5.004 ( -4.955 -2.368 -1.243) 5.631 5.053 ( -4.235 -5.491 -1.878) 7.184 5.255 ( -0.784 -3.059 -0.365) 3.179 5.324 ( -2.226 -5.237 -2.292) 6.135 6.166 ( 2.390 1.255 0.546) 2.755 6.411 ( -0.875 -0.249 1.357) 1.634 6.574 ( 0.169 10.481 -0.992) 10.529 6.703 ( -4.084 4.381 -3.334) 6.855 6.947 ( 2.485 1.430 0.819) 2.982 7.103 ( 1.497 2.760 1.157) 3.347 7.564 ( -0.622 0.730 1.080) 1.445 7.730 ( 0.087 1.389 -3.073) 3.373 8.207 ( -1.775 3.157 1.015) 3.761 8.293 ( 4.252 1.834 1.010) 4.740 8.668 ( -3.464 -6.300 0.964) 7.254 8.836 ( -5.041 -4.014 0.718) 6.484 8.888 ( -5.927 -2.014 0.317) 6.267 9.115 ( -4.117 3.067 1.563) 5.366 9.486 ( -0.815 -7.110 -1.957) 7.419 9.507 ( 1.318 -1.697 5.847) 6.229 10.425 ( 6.081 0.364 3.953) 7.262 10.629 ( 9.954 0.649 -1.649) 10.110 10.688 ( 2.003 -3.882 -0.051) 4.369 10.829 ( 5.036 -0.313 -3.664) 6.236 12.759 ( 4.796 3.780 0.624) 6.138 12.961 ( -0.525 -2.389 1.415) 2.825 13.630 ( 15.175 25.907 -6.641) 30.750 14.009 ( -2.876 10.980 -19.626) 22.672 15.038 ( -0.246 3.636 0.687) 3.708 15.263 ( 4.217 3.287 -1.297) 5.502 15.524 ( -0.604 1.214 1.958) 2.381 15.911 ( 3.689 6.819 -1.419) 7.882 18.185 ( -2.632 -13.975 16.501) 21.784 18.617 ( -9.889 -13.185 3.498) 16.848 20.994 ( 0.674 -0.531 -1.564) 1.784 21.071 ( -0.269 -0.717 -2.486) 2.601 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 4.327 -1.911 8.242) 9.503 1.668 ( 2.228 6.540 2.597) 7.381 1.789 ( 2.420 4.144 0.088) 4.799 1.947 ( 0.813 1.543 -3.845) 4.222 1.956 ( 10.514 2.242 -0.868) 10.786 2.012 ( -3.406 -0.612 -7.771) 8.507 2.129 ( -6.607 -4.255 0.304) 7.864 2.254 ( 0.442 -0.479 -1.568) 1.697 2.302 ( -5.611 1.605 0.252) 5.841 2.418 ( -0.322 1.146 1.080) 1.608 2.527 ( -2.859 -2.911 5.852) 7.134 2.675 ( -4.677 -4.868 -2.741) 7.286 3.085 ( 2.668 -0.951 3.297) 4.347 3.157 ( 4.665 -4.756 -0.917) 6.724 3.271 ( 3.125 -5.673 2.685) 7.011 3.490 ( -1.837 -3.097 -0.789) 3.686 3.575 ( -5.876 2.739 2.588) 6.981 3.646 ( -2.239 -1.792 2.699) 3.938 3.743 ( 2.107 2.427 0.644) 3.278 3.952 ( -1.840 7.797 0.775) 8.049 4.153 ( -1.710 3.130 -3.790) 5.205 4.551 ( 3.933 2.810 -1.616) 5.096 4.680 ( 3.326 -0.046 0.371) 3.347 4.752 ( -2.285 5.135 2.827) 6.291 4.863 ( -7.181 -2.186 -0.195) 7.509 5.044 ( 0.466 -1.904 -0.554) 2.037 5.160 ( -3.886 -3.234 -3.974) 6.431 5.325 ( 1.187 -5.362 0.540) 5.518 6.197 ( 1.256 -1.226 -0.460) 1.815 6.406 ( -0.782 -2.857 -0.672) 3.037 6.559 ( -1.139 13.537 -0.817) 13.610 6.632 ( -1.705 9.147 0.644) 9.327 6.972 ( 1.749 4.213 -1.535) 4.813 7.121 ( -0.519 4.203 0.688) 4.291 7.572 ( -0.172 0.901 1.147) 1.469 7.738 ( 2.342 -0.688 0.047) 2.441 8.230 ( 3.283 -1.271 -0.236) 3.528 8.377 ( 2.779 -0.973 2.744) 4.025 8.575 ( -7.576 -4.961 0.568) 9.073 8.719 ( -6.173 -3.950 -2.525) 7.751 8.842 ( -1.222 1.875 0.391) 2.272 9.121 ( 1.114 -0.843 1.503) 2.052 9.468 ( 0.276 -5.853 -0.675) 5.898 9.558 ( -2.030 -2.485 3.858) 5.018 10.531 ( 2.259 1.290 4.554) 5.245 10.656 ( 1.913 5.102 -4.945) 7.358 10.761 ( 3.827 -9.079 1.373) 9.948 10.895 ( 5.034 -5.312 -2.260) 7.659 12.872 ( 5.915 3.692 3.841) 7.961 12.990 ( 0.923 -2.689 1.994) 3.473 13.700 ( -6.655 21.689 -17.921) 28.911 13.753 ( 7.513 34.821 -3.871) 35.832 15.117 ( 5.005 -2.384 1.778) 5.822 15.324 ( 4.196 7.329 0.082) 8.445 15.570 ( 2.750 4.755 4.295) 6.972 15.883 ( -4.491 10.543 -2.639) 11.760 18.295 ( 1.225 -23.303 5.337) 23.938 18.505 ( -9.385 -20.495 4.747) 23.036 20.991 ( 0.781 0.072 -1.041) 1.304 21.040 ( -0.555 0.053 -1.666) 1.757 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -0.000 4.133 -0.000) 4.133 1.654 ( 0.000 1.518 0.000) 1.518 1.796 ( 0.000 4.164 0.000) 4.164 1.914 ( -0.000 -0.900 -0.000) 0.900 1.972 ( 0.000 5.027 0.000) 5.027 2.050 ( -0.000 -6.192 0.000) 6.192 2.109 ( -0.000 5.167 0.000) 5.167 2.182 ( 0.000 2.637 0.000) 2.637 2.270 ( -0.000 -1.217 -0.000) 1.217 2.448 ( 0.000 -1.226 0.000) 1.226 2.550 ( 0.000 -2.245 0.000) 2.245 2.602 ( -0.000 -3.680 -0.000) 3.680 3.152 ( 0.000 -2.011 -0.000) 2.011 3.187 ( -0.000 -4.832 0.000) 4.832 3.364 ( -0.000 -7.076 -0.000) 7.076 3.381 ( 0.000 -8.484 0.000) 8.484 3.489 ( 0.000 5.065 0.000) 5.065 3.718 ( -0.000 -2.904 -0.000) 2.904 3.785 ( 0.000 -2.507 0.000) 2.507 3.909 ( 0.000 9.157 -0.000) 9.157 4.119 ( -0.000 4.544 0.000) 4.544 4.565 ( 0.000 1.536 0.000) 1.536 4.734 ( -0.000 2.111 0.000) 2.111 4.741 ( 0.000 5.448 -0.000) 5.448 4.810 ( 0.000 0.238 0.000) 0.238 5.013 ( -0.000 -0.093 0.000) 0.093 5.122 ( 0.000 -4.071 0.000) 4.071 5.340 ( 0.000 -5.352 -0.000) 5.352 6.203 ( 0.000 -2.233 0.000) 2.233 6.388 ( -0.000 -3.876 -0.000) 3.876 6.540 ( 0.000 14.199 0.000) 14.199 6.633 ( 0.000 10.015 -0.000) 10.015 6.979 ( 0.000 6.844 0.000) 6.844 7.117 ( -0.000 4.651 0.000) 4.651 7.578 ( 0.000 0.934 0.000) 0.934 7.765 ( 0.000 -1.750 0.000) 1.750 8.273 ( -0.000 -4.120 0.000) 4.120 8.401 ( 0.000 -4.891 -0.000) 4.891 8.525 ( -0.000 -2.142 -0.000) 2.142 8.634 ( 0.000 -0.849 0.000) 0.849 8.836 ( 0.000 1.935 0.000) 1.935 9.146 ( 0.000 -2.261 0.000) 2.261 9.469 ( 0.000 -5.218 0.000) 5.218 9.555 ( 0.000 -2.633 0.000) 2.633 10.601 ( 0.000 3.145 0.000) 3.145 10.621 ( -0.000 3.722 -0.000) 3.722 10.801 ( 0.000 -9.711 -0.000) 9.711 10.922 ( 0.000 -7.297 0.000) 7.297 12.981 ( 0.000 1.806 0.000) 1.806 13.005 ( -0.000 -3.043 -0.000) 3.043 13.505 ( 0.000 25.507 -0.000) 25.507 13.793 ( -0.000 38.559 0.000) 38.559 15.169 ( 0.000 -5.260 0.000) 5.260 15.366 ( 0.000 10.241 0.000) 10.241 15.705 ( -0.000 12.394 0.000) 12.394 15.743 ( 0.000 6.694 0.000) 6.694 18.341 ( -0.000 -22.667 -0.000) 22.667 18.447 ( 0.000 -27.293 0.000) 27.293 20.993 ( 0.000 0.260 0.000) 0.260 21.023 ( 0.000 0.391 0.000) 0.391 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.000 17.411 0.000) 17.411 1.470 ( 0.000 20.222 0.000) 20.222 1.789 ( 0.000 -5.618 0.000) 5.618 1.901 ( 0.000 4.067 0.000) 4.067 2.069 ( 0.000 0.367 0.000) 0.367 2.128 ( 0.000 -2.365 0.000) 2.365 2.188 ( 0.000 -8.285 0.000) 8.285 2.297 ( 0.000 -0.368 0.000) 0.368 2.403 ( 0.000 -6.103 0.000) 6.103 2.481 ( 0.000 -10.641 0.000) 10.641 2.616 ( 0.000 1.213 0.000) 1.213 2.689 ( 0.000 -1.162 0.000) 1.162 2.873 ( 0.000 0.297 0.000) 0.297 2.941 ( 0.000 -1.628 0.000) 1.628 3.371 ( 0.000 9.061 0.000) 9.061 3.547 ( 0.000 8.576 0.000) 8.576 3.621 ( 0.000 11.319 0.000) 11.319 3.781 ( 0.000 0.564 0.000) 0.564 3.980 ( 0.000 -2.245 0.000) 2.245 4.101 ( 0.000 -5.111 0.000) 5.111 4.242 ( 0.000 4.956 0.000) 4.956 4.456 ( 0.000 -2.827 0.000) 2.827 4.676 ( 0.000 -0.721 0.000) 0.721 4.736 ( 0.000 -3.358 0.000) 3.358 5.019 ( 0.000 -0.543 0.000) 0.543 5.157 ( 0.000 -6.264 0.000) 6.264 5.259 ( 0.000 5.234 0.000) 5.234 5.458 ( 0.000 -4.168 0.000) 4.168 6.254 ( 0.000 1.107 0.000) 1.107 6.313 ( 0.000 -2.520 0.000) 2.520 6.486 ( 0.000 -2.086 0.000) 2.086 6.597 ( 0.000 -5.822 0.000) 5.822 7.022 ( 0.000 12.865 0.000) 12.865 7.258 ( 0.000 4.394 0.000) 4.394 7.575 ( 0.000 -1.450 0.000) 1.450 7.696 ( 0.000 -5.605 0.000) 5.605 8.250 ( 0.000 1.428 0.000) 1.428 8.403 ( 0.000 -7.229 0.000) 7.229 8.876 ( 0.000 1.287 0.000) 1.287 8.938 ( 0.000 -1.720 0.000) 1.720 9.151 ( 0.000 5.407 0.000) 5.407 9.428 ( 0.000 6.044 0.000) 6.044 9.432 ( 0.000 -8.021 0.000) 8.021 9.617 ( 0.000 5.405 0.000) 5.405 9.810 ( 0.000 1.295 0.000) 1.295 9.997 ( 0.000 0.177 0.000) 0.177 10.575 ( 0.000 10.019 0.000) 10.019 10.899 ( 0.000 -6.500 0.000) 6.500 12.886 ( 0.000 3.088 0.000) 3.088 12.961 ( 0.000 -2.408 0.000) 2.408 13.183 ( 0.000 7.203 0.000) 7.203 13.803 ( 0.000 -22.794 0.000) 22.794 15.249 ( 0.000 7.234 0.000) 7.234 15.402 ( 0.000 0.305 0.000) 0.305 15.420 ( 0.000 4.584 0.000) 4.584 15.799 ( 0.000 -14.061 0.000) 14.061 18.225 ( 0.000 24.632 0.000) 24.632 18.799 ( 0.000 -5.311 0.000) 5.311 20.988 ( 0.000 -0.419 0.000) 0.419 21.061 ( 0.000 -3.467 0.000) 3.467 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 2.599 15.116 -1.672) 15.429 1.373 ( -1.601 17.387 -5.835) 18.410 1.808 ( 1.565 -6.801 -0.452) 6.993 1.906 ( -5.764 -1.896 -11.105) 12.655 1.953 ( 2.168 -0.255 -1.184) 2.484 2.068 ( -3.474 -2.917 -3.142) 5.518 2.188 ( -0.833 -6.006 1.871) 6.345 2.352 ( 3.592 2.835 4.794) 6.628 2.358 ( 0.145 -4.747 -1.683) 5.038 2.516 ( -2.085 -4.754 0.888) 5.266 2.600 ( -0.167 1.877 -2.771) 3.351 2.743 ( 3.492 -2.202 1.498) 4.392 2.958 ( -2.463 -0.767 15.217) 15.434 2.984 ( -0.774 -0.864 7.001) 7.096 3.377 ( -1.777 8.210 2.502) 8.765 3.513 ( -7.314 10.543 4.661) 13.652 3.638 ( 3.998 10.574 0.598) 11.320 3.809 ( 3.595 -1.662 -1.920) 4.402 3.961 ( -1.318 -3.887 -3.351) 5.299 4.000 ( -6.820 -2.609 -4.654) 8.659 4.262 ( 1.575 2.620 0.493) 3.096 4.431 ( -0.605 -3.155 -3.635) 4.851 4.657 ( 0.810 1.899 -1.438) 2.516 4.802 ( 2.996 -1.707 2.481) 4.248 4.991 ( -2.466 -3.493 -0.363) 4.291 5.103 ( -3.578 -6.064 -0.252) 7.046 5.294 ( 1.657 2.439 -0.824) 3.061 5.393 ( -5.963 -2.186 -1.080) 6.442 6.235 ( -1.736 3.042 -0.231) 3.511 6.334 ( 1.048 -2.748 1.678) 3.386 6.527 ( 4.923 -1.470 0.039) 5.138 6.646 ( 4.829 -6.020 0.778) 7.756 7.016 ( -0.889 11.401 0.145) 11.437 7.220 ( -2.015 4.006 -3.170) 5.492 7.572 ( -0.312 -0.496 0.356) 0.686 7.714 ( 0.675 -4.864 1.641) 5.177 8.254 ( 0.883 2.030 -0.178) 2.221 8.430 ( 1.388 -7.646 2.693) 8.224 8.802 ( -13.951 5.902 -2.634) 15.376 8.877 ( -0.063 1.207 -2.473) 2.752 9.109 ( -4.105 2.080 0.374) 4.617 9.261 ( -7.014 1.515 0.819) 7.222 9.438 ( -2.488 -4.169 0.535) 4.885 9.583 ( -11.075 -4.675 -1.159) 12.077 9.935 ( 18.083 7.873 1.360) 19.769 10.170 ( 13.369 -2.255 0.671) 13.574 10.623 ( 3.204 8.399 2.967) 9.467 10.881 ( -1.580 -5.039 -0.511) 5.306 12.842 ( -1.336 3.701 -3.628) 5.352 12.945 ( 0.430 -2.967 -2.697) 4.033 13.324 ( 18.243 9.399 -2.219) 20.642 13.908 ( 13.763 -18.306 -3.780) 23.212 15.255 ( 2.453 6.067 -2.705) 7.081 15.399 ( 0.855 3.239 -4.594) 5.685 15.452 ( 2.865 1.102 2.503) 3.961 15.750 ( -1.164 -11.179 -4.153) 11.983 18.208 ( -10.710 20.247 11.794) 25.763 18.734 ( -11.261 -6.262 4.944) 13.801 20.989 ( 0.718 -0.195 -0.865) 1.141 21.061 ( 0.915 -3.152 -1.289) 3.526 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 2.455 10.740 -2.000) 11.197 1.447 ( 9.949 9.583 -0.308) 13.817 1.722 ( 0.059 -0.459 -7.421) 7.435 1.853 ( 2.293 -3.469 0.567) 4.197 1.950 ( 2.013 -7.296 -4.094) 8.605 1.987 ( -2.551 -4.310 -1.277) 5.168 2.178 ( -1.115 -1.924 -1.744) 2.826 2.351 ( 0.699 -4.595 -1.529) 4.893 2.463 ( 1.747 2.269 3.251) 4.332 2.482 ( -3.746 -1.630 2.564) 4.824 2.561 ( -1.217 2.131 -1.953) 3.137 2.738 ( -2.223 -1.740 -3.819) 4.750 3.048 ( -4.583 0.936 12.827) 13.654 3.099 ( -2.033 -0.342 13.604) 13.760 3.344 ( -6.910 9.584 4.229) 12.549 3.398 ( -11.205 9.718 2.832) 15.100 3.757 ( 0.651 1.684 -1.410) 2.291 3.800 ( -5.131 -1.853 -6.157) 8.226 3.854 ( 6.363 -0.402 4.055) 7.556 3.912 ( -0.096 -1.090 -4.218) 4.358 4.311 ( 2.978 0.744 0.740) 3.157 4.369 ( -0.183 -1.542 -4.231) 4.507 4.656 ( -0.821 2.397 0.564) 2.595 4.854 ( 1.077 2.639 1.075) 3.046 4.959 ( -1.644 -6.839 0.877) 7.088 5.055 ( -2.564 -5.229 -0.964) 5.903 5.241 ( -3.368 0.797 -3.144) 4.676 5.308 ( -3.133 -2.979 -1.899) 4.722 6.208 ( -0.543 3.950 -0.856) 4.077 6.368 ( 0.830 -2.841 0.702) 3.042 6.632 ( 7.038 1.299 0.974) 7.223 6.745 ( 5.979 -2.777 0.232) 6.597 7.001 ( -1.691 7.893 1.243) 8.167 7.151 ( -1.439 2.761 -2.741) 4.148 7.576 ( -0.236 1.254 0.966) 1.600 7.737 ( 0.307 -3.614 0.401) 3.649 8.284 ( 2.599 3.133 0.671) 4.126 8.493 ( 0.069 -3.998 0.427) 4.021 8.512 ( -12.769 5.799 -0.811) 14.048 8.813 ( -6.442 -4.617 -1.164) 8.011 9.014 ( -6.850 3.844 1.248) 7.953 9.232 ( -4.435 -1.857 3.399) 5.888 9.396 ( -1.552 -3.807 -2.170) 4.649 9.434 ( -3.896 -1.172 1.409) 4.306 10.218 ( 12.913 1.379 2.827) 13.291 10.364 ( 9.866 -4.942 -0.173) 11.036 10.714 ( 4.444 5.988 0.855) 7.506 10.851 ( -0.062 -1.134 -1.720) 2.061 12.807 ( 2.214 4.506 -3.013) 5.855 12.926 ( 1.015 -2.219 -2.319) 3.367 13.678 ( 30.539 13.127 -6.841) 33.937 14.093 ( 17.316 -6.756 -9.953) 21.084 15.254 ( 1.217 3.614 -5.171) 6.425 15.306 ( -2.903 4.611 -5.900) 8.031 15.522 ( 1.711 1.410 2.766) 3.545 15.772 ( 8.587 -7.346 -0.721) 11.323 18.135 ( -19.123 9.714 17.382) 27.608 18.563 ( -18.360 -9.548 7.573) 22.037 20.992 ( 1.322 0.285 -1.591) 2.088 21.059 ( 1.152 -2.381 -2.170) 3.422 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 5.861 4.932 3.065) 8.251 1.631 ( 9.839 1.246 0.880) 9.956 1.749 ( 8.620 3.686 0.151) 9.376 1.888 ( 0.972 1.497 1.168) 2.133 1.940 ( 2.897 -7.220 -3.546) 8.550 2.000 ( 3.513 -5.911 0.646) 6.907 2.119 ( -1.773 3.264 -3.488) 5.095 2.337 ( 1.144 -1.908 -3.300) 3.980 2.443 ( -4.823 1.378 -0.798) 5.079 2.445 ( -6.573 -1.803 3.024) 7.457 2.511 ( -3.115 -0.589 -0.099) 3.171 2.636 ( -2.238 -3.974 -5.887) 7.447 3.060 ( -6.452 1.523 4.241) 7.870 3.153 ( -5.153 -1.527 9.246) 10.695 3.242 ( -8.804 8.311 0.242) 12.109 3.391 ( -0.221 5.185 13.589) 14.547 3.624 ( -8.831 -6.334 -3.232) 11.338 3.692 ( -3.754 -5.674 -2.434) 7.226 3.869 ( 1.076 6.820 -3.834) 7.897 4.053 ( 5.476 3.836 5.132) 8.429 4.280 ( -0.747 2.923 -4.341) 5.286 4.431 ( 6.437 -2.713 0.743) 7.025 4.656 ( -0.399 3.394 2.441) 4.200 4.863 ( -1.690 2.906 1.579) 3.714 4.959 ( 0.959 -3.618 0.446) 3.769 4.971 ( -5.591 -1.280 -1.980) 6.067 5.189 ( -0.332 -3.318 -1.156) 3.530 5.215 ( -2.859 -4.844 -5.249) 7.694 6.199 ( 0.950 2.498 -1.677) 3.155 6.365 ( -0.271 -4.111 -1.996) 4.578 6.757 ( 4.011 7.431 4.319) 9.484 6.821 ( 5.139 6.003 -3.110) 8.492 6.996 ( -1.044 3.141 2.290) 4.025 7.134 ( 1.412 -0.272 -0.205) 1.453 7.585 ( -0.120 1.991 1.036) 2.248 7.727 ( -0.229 -1.953 -1.762) 2.641 8.290 ( -6.869 5.109 -0.964) 8.615 8.351 ( 0.724 4.263 2.578) 5.035 8.533 ( -2.300 -6.689 1.280) 7.189 8.681 ( -6.266 -9.469 -0.349) 11.359 8.941 ( -3.803 5.169 0.622) 6.448 9.152 ( -6.207 -0.932 0.971) 6.351 9.370 ( 0.150 -2.688 -0.410) 2.724 9.464 ( -0.124 -2.865 4.788) 5.581 10.402 ( 5.953 -1.550 3.273) 6.968 10.494 ( 5.469 -6.890 2.819) 9.237 10.765 ( 3.800 4.709 -3.676) 7.080 10.843 ( 2.798 0.737 -4.561) 5.401 12.845 ( 4.659 4.172 -0.372) 6.265 12.932 ( 2.017 -0.892 -0.909) 2.385 14.082 ( 28.251 16.721 -10.534) 34.477 14.199 ( 15.098 7.418 -17.141) 24.017 15.138 ( -3.833 7.198 -2.748) 8.605 15.305 ( 4.910 1.011 -1.209) 5.157 15.592 ( 1.480 5.387 5.905) 8.129 15.943 ( 11.425 -4.637 -1.042) 12.374 17.992 ( -21.027 -3.558 15.589) 26.416 18.327 ( -21.211 -15.070 7.450) 27.065 20.995 ( 1.461 0.648 -1.796) 2.404 21.049 ( 0.772 -1.471 -2.315) 2.849 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 5.605 2.003 6.030) 8.473 1.761 ( 5.114 -1.174 3.369) 6.236 1.870 ( 0.825 3.383 -3.038) 4.621 1.884 ( -0.480 -3.286 -5.805) 6.688 1.995 ( 6.836 2.576 0.813) 7.350 2.074 ( 4.322 4.887 -1.200) 6.633 2.087 ( 2.805 1.168 1.092) 3.229 2.286 ( -2.824 3.729 -3.592) 5.898 2.345 ( -3.632 1.688 0.485) 4.035 2.383 ( -4.862 -4.970 3.646) 7.850 2.475 ( -1.663 -2.648 1.456) 3.449 2.558 ( -1.527 -6.535 -3.751) 7.688 3.050 ( -0.124 -1.471 4.287) 4.534 3.126 ( -2.558 1.839 -1.966) 3.714 3.165 ( -4.028 -4.478 4.670) 7.621 3.402 ( -9.985 -7.237 -4.467) 13.116 3.560 ( -0.635 -0.656 10.737) 10.776 3.628 ( -0.893 -2.162 -2.100) 3.143 3.855 ( -0.441 9.776 0.312) 9.791 4.103 ( -1.600 3.789 0.273) 4.122 4.239 ( 0.402 5.744 -2.952) 6.470 4.493 ( 1.404 -5.856 -1.952) 6.330 4.728 ( 5.117 4.307 2.998) 7.329 4.850 ( -2.320 2.915 2.127) 4.290 4.875 ( -3.707 3.212 0.570) 4.938 5.001 ( 2.668 -2.479 0.997) 3.776 5.091 ( -3.116 -2.757 -6.374) 7.612 5.202 ( 0.997 -6.833 0.316) 6.912 6.191 ( 0.283 0.897 -1.606) 1.862 6.325 ( -0.823 -4.721 -2.664) 5.483 6.831 ( -1.716 10.789 5.532) 12.245 6.839 ( 2.384 12.867 -4.013) 13.688 7.038 ( 4.056 1.338 0.404) 4.290 7.167 ( 0.957 -0.630 1.290) 1.725 7.593 ( -0.047 1.744 0.638) 1.858 7.713 ( 1.098 -1.999 -1.371) 2.661 8.215 ( -2.579 0.384 0.758) 2.715 8.350 ( -4.313 -2.670 0.257) 5.079 8.490 ( -1.552 -2.125 1.546) 3.052 8.623 ( -2.285 -5.460 -0.339) 5.928 8.909 ( -0.953 4.704 0.238) 4.805 9.096 ( -1.382 -2.370 0.247) 2.755 9.380 ( 0.306 -2.023 0.868) 2.223 9.489 ( -2.216 -4.312 2.976) 5.688 10.519 ( 3.243 -1.697 5.742) 6.809 10.612 ( 2.702 -5.694 5.786) 8.556 10.750 ( 1.492 3.545 -6.600) 7.639 10.818 ( 2.263 -1.820 -7.084) 7.656 12.931 ( 4.236 2.099 1.610) 4.994 12.963 ( 1.851 -0.386 0.425) 1.937 14.098 ( 2.343 18.807 -14.634) 23.945 14.388 ( 17.836 19.751 -9.489) 28.253 15.104 ( -0.380 5.867 0.663) 5.916 15.423 ( 8.638 1.836 0.233) 8.834 15.720 ( 5.804 9.896 7.695) 13.814 16.050 ( 2.810 3.871 -2.605) 5.447 17.856 ( -11.121 -17.449 8.571) 22.396 18.068 ( -18.763 -21.552 4.886) 28.990 20.999 ( 1.069 0.696 -1.167) 1.729 21.034 ( 0.191 -0.661 -1.549) 1.695 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -0.000 0.922 -0.000) 0.922 1.731 ( 0.000 2.427 0.000) 2.427 1.851 ( 0.000 1.374 0.000) 1.374 1.873 ( -0.000 -3.689 -0.000) 3.689 2.007 ( -0.000 4.352 0.000) 4.352 2.092 ( -0.000 6.909 0.000) 6.909 2.225 ( -0.000 5.507 0.000) 5.507 2.240 ( 0.000 2.818 -0.000) 2.818 2.270 ( 0.000 1.325 0.000) 1.325 2.397 ( 0.000 -4.186 0.000) 4.186 2.477 ( -0.000 -5.948 0.000) 5.948 2.503 ( 0.000 -5.638 -0.000) 5.638 3.085 ( 0.000 -3.748 -0.000) 3.748 3.114 ( -0.000 -1.722 0.000) 1.722 3.204 ( -0.000 -8.345 -0.000) 8.345 3.212 ( 0.000 -6.967 0.000) 6.967 3.584 ( 0.000 2.493 0.000) 2.493 3.648 ( -0.000 -2.693 0.000) 2.693 3.853 ( 0.000 9.000 0.000) 9.000 4.081 ( 0.000 4.653 -0.000) 4.653 4.221 ( -0.000 5.939 0.000) 5.939 4.483 ( 0.000 -6.401 0.000) 6.401 4.819 ( -0.000 2.391 0.000) 2.391 4.829 ( 0.000 3.818 -0.000) 3.818 4.862 ( 0.000 5.216 0.000) 5.216 5.006 ( -0.000 -0.620 0.000) 0.620 5.038 ( 0.000 -3.074 0.000) 3.074 5.215 ( 0.000 -7.299 -0.000) 7.299 6.181 ( 0.000 0.261 0.000) 0.261 6.300 ( -0.000 -4.693 -0.000) 4.693 6.830 ( -0.000 13.957 0.000) 13.957 6.846 ( 0.000 10.581 -0.000) 10.581 7.086 ( 0.000 2.880 0.000) 2.880 7.179 ( -0.000 0.508 0.000) 0.508 7.597 ( 0.000 1.482 0.000) 1.482 7.720 ( 0.000 -2.892 0.000) 2.892 8.204 ( -0.000 -2.240 0.000) 2.240 8.297 ( 0.000 -5.381 -0.000) 5.381 8.498 ( -0.000 -0.014 -0.000) 0.014 8.596 ( 0.000 -2.878 0.000) 2.878 8.904 ( 0.000 4.684 0.000) 4.684 9.094 ( 0.000 -3.299 0.000) 3.299 9.388 ( 0.000 -2.101 0.000) 2.101 9.482 ( 0.000 -4.465 0.000) 4.465 10.615 ( 0.000 -2.665 0.000) 2.665 10.670 ( 0.000 -0.064 -0.000) 0.064 10.702 ( -0.000 1.281 -0.000) 1.281 10.779 ( 0.000 -5.448 0.000) 5.448 12.974 ( 0.000 -0.226 -0.000) 0.226 12.992 ( 0.000 -0.172 0.000) 0.172 14.015 ( 0.000 24.223 0.000) 24.223 14.475 ( -0.000 19.877 0.000) 19.877 15.108 ( 0.000 5.626 0.000) 5.626 15.502 ( 0.000 2.281 -0.000) 2.281 15.907 ( -0.000 9.471 -0.000) 9.471 15.978 ( 0.000 12.893 0.000) 12.893 17.870 ( -0.000 -22.581 -0.000) 22.581 17.876 ( 0.000 -26.788 0.000) 26.788 21.002 ( 0.000 0.587 0.000) 0.587 21.025 ( 0.000 -0.256 0.000) 0.256 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 0.000 -12.292 0.000) 12.292 1.607 ( 0.000 12.292 0.000) 12.292 1.823 ( 0.000 -13.871 0.000) 13.871 1.823 ( 0.000 13.871 0.000) 13.871 2.080 ( 0.000 -0.798 0.000) 0.798 2.080 ( 0.000 0.798 0.000) 0.798 2.206 ( 0.000 -8.613 0.000) 8.613 2.206 ( 0.000 8.613 0.000) 8.613 2.311 ( 0.000 -3.908 0.000) 3.908 2.311 ( 0.000 3.908 0.000) 3.908 2.658 ( 0.000 -1.987 0.000) 1.987 2.658 ( 0.000 1.987 0.000) 1.987 2.902 ( 0.000 -2.105 0.000) 2.105 2.902 ( 0.000 2.105 0.000) 2.105 3.660 ( 0.000 -13.710 0.000) 13.710 3.660 ( 0.000 13.710 0.000) 13.710 3.701 ( 0.000 -5.108 0.000) 5.108 3.701 ( 0.000 5.108 0.000) 5.108 3.977 ( 0.000 -5.890 0.000) 5.890 3.977 ( 0.000 5.890 0.000) 5.890 4.359 ( 0.000 -6.202 0.000) 6.202 4.359 ( 0.000 6.202 0.000) 6.202 4.688 ( 0.000 -1.610 0.000) 1.610 4.688 ( 0.000 1.610 0.000) 1.610 5.052 ( 0.000 -3.788 0.000) 3.788 5.052 ( 0.000 3.788 0.000) 3.788 5.364 ( 0.000 -5.173 0.000) 5.173 5.364 ( 0.000 5.173 0.000) 5.173 6.278 ( 0.000 -1.250 0.000) 1.250 6.278 ( 0.000 1.250 0.000) 1.250 6.498 ( 0.000 -3.343 0.000) 3.343 6.498 ( 0.000 3.343 0.000) 3.343 7.233 ( 0.000 -7.126 0.000) 7.126 7.233 ( 0.000 7.126 0.000) 7.126 7.595 ( 0.000 -3.848 0.000) 3.848 7.595 ( 0.000 3.848 0.000) 3.848 8.297 ( 0.000 -3.575 0.000) 3.575 8.297 ( 0.000 3.575 0.000) 3.575 8.903 ( 0.000 -1.591 0.000) 1.591 8.903 ( 0.000 1.591 0.000) 1.591 9.278 ( 0.000 -7.238 0.000) 7.238 9.278 ( 0.000 7.238 0.000) 7.238 9.559 ( 0.000 -6.544 0.000) 6.544 9.559 ( 0.000 6.544 0.000) 6.544 9.933 ( 0.000 -6.290 0.000) 6.290 9.933 ( 0.000 6.290 0.000) 6.290 10.756 ( 0.000 -8.067 0.000) 8.067 10.756 ( 0.000 8.067 0.000) 8.067 12.928 ( 0.000 -1.394 0.000) 1.394 12.928 ( 0.000 1.394 0.000) 1.394 13.412 ( 0.000 -15.899 0.000) 15.899 13.412 ( 0.000 15.899 0.000) 15.899 15.377 ( 0.000 -3.742 0.000) 3.742 15.377 ( 0.000 3.742 0.000) 3.742 15.548 ( 0.000 -9.883 0.000) 9.883 15.548 ( 0.000 9.883 0.000) 9.883 18.611 ( 0.000 -14.122 0.000) 14.122 18.611 ( 0.000 14.122 0.000) 14.122 21.003 ( 0.000 -1.981 0.000) 1.981 21.003 ( 0.000 1.981 0.000) 1.981 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -0.160 -6.338 -6.604) 9.155 1.575 ( -0.160 6.338 -6.604) 9.155 1.740 ( -1.885 -9.222 -4.430) 10.403 1.740 ( -1.885 9.222 -4.430) 10.403 2.004 ( -3.398 -4.287 -4.186) 6.888 2.004 ( -3.398 4.287 -4.186) 6.888 2.206 ( 0.316 -7.480 0.193) 7.489 2.206 ( 0.316 7.480 0.193) 7.489 2.420 ( 2.967 -4.758 6.231) 8.383 2.420 ( 2.967 4.758 6.231) 8.383 2.664 ( 2.392 -4.076 -2.266) 5.241 2.664 ( 2.392 4.076 -2.266) 5.241 2.963 ( -1.937 -1.052 11.769) 11.973 2.963 ( -1.937 1.052 11.769) 11.973 3.643 ( -3.419 -11.645 1.254) 12.201 3.643 ( -3.419 11.645 1.254) 12.201 3.718 ( 0.749 -5.700 1.883) 6.049 3.718 ( 0.749 5.700 1.883) 6.049 3.916 ( -4.351 -4.143 -3.240) 6.826 3.916 ( -4.351 4.143 -3.240) 6.826 4.352 ( 1.330 -4.959 -2.738) 5.818 4.352 ( 1.330 4.959 -2.738) 5.818 4.725 ( 2.133 -4.654 1.665) 5.384 4.725 ( 2.133 4.654 1.665) 5.384 4.997 ( -3.774 -3.636 -1.156) 5.367 4.997 ( -3.774 3.636 -1.156) 5.367 5.347 ( -2.041 -2.577 -1.228) 3.509 5.347 ( -2.041 2.577 -1.228) 3.509 6.290 ( 0.456 -2.232 0.667) 2.374 6.290 ( 0.456 2.232 0.667) 2.374 6.543 ( 5.321 -3.508 0.605) 6.402 6.543 ( 5.321 3.508 0.605) 6.402 7.199 ( -1.806 -6.073 -2.718) 6.894 7.199 ( -1.806 6.073 -2.718) 6.894 7.614 ( 0.240 -4.533 2.500) 5.182 7.614 ( 0.240 4.533 2.500) 5.182 8.314 ( 1.132 -4.226 1.406) 4.595 8.314 ( 1.132 4.226 1.406) 4.595 8.872 ( -5.436 -1.796 -0.827) 5.785 8.872 ( -5.436 1.796 -0.827) 5.785 9.197 ( -4.847 -5.823 -2.954) 8.132 9.197 ( -4.847 5.823 -2.954) 8.132 9.472 ( -7.779 -5.510 1.728) 9.688 9.472 ( -7.779 5.510 1.728) 9.688 10.083 ( 13.153 -6.278 0.129) 14.575 10.083 ( 13.153 6.278 0.129) 14.575 10.770 ( 0.725 -6.384 1.518) 6.602 10.770 ( 0.725 6.384 1.518) 6.602 12.898 ( -0.356 -2.198 -2.936) 3.685 12.898 ( -0.356 2.198 -2.936) 3.685 13.572 ( 19.904 -15.096 -2.945) 25.154 13.572 ( 19.904 15.096 -2.945) 25.154 15.376 ( 2.132 -4.593 -4.488) 6.766 15.376 ( 2.132 4.593 -4.488) 6.766 15.546 ( 0.401 -7.944 0.689) 7.984 15.546 ( 0.401 7.944 0.689) 7.984 18.544 ( -13.514 -13.161 7.489) 20.296 18.544 ( -13.514 13.161 7.489) 20.296 21.007 ( 1.191 -1.992 -1.101) 2.569 21.007 ( 1.191 1.992 -1.101) 2.569 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 3.528 -7.240 -7.953) 11.319 1.497 ( 3.528 7.240 -7.953) 11.319 1.736 ( 3.970 -5.503 -0.754) 6.827 1.736 ( 3.970 5.503 -0.754) 6.827 1.921 ( -2.328 -2.978 -0.969) 3.902 1.921 ( -2.328 2.978 -0.969) 3.902 2.216 ( 0.641 -5.897 -0.044) 5.932 2.216 ( 0.641 5.897 -0.044) 5.932 2.478 ( -0.661 -0.493 1.379) 1.607 2.478 ( -0.661 0.493 1.379) 1.607 2.654 ( -0.823 -5.629 -3.688) 6.779 2.654 ( -0.823 5.629 -3.688) 6.779 3.068 ( -4.451 -1.620 14.608) 15.357 3.068 ( -4.451 1.620 14.608) 15.357 3.564 ( -8.443 -4.389 2.223) 9.772 3.564 ( -8.443 4.389 2.223) 9.772 3.675 ( -8.319 -3.690 -2.269) 9.380 3.675 ( -8.319 3.690 -2.269) 9.380 3.895 ( 5.987 -1.718 1.528) 6.414 3.895 ( 5.987 1.718 1.528) 6.414 4.347 ( 2.783 -1.382 -3.850) 4.947 4.347 ( 2.783 1.382 -3.850) 4.947 4.760 ( -0.724 -7.823 2.873) 8.365 4.760 ( -0.724 7.823 2.873) 8.365 4.959 ( -0.099 -4.049 -0.426) 4.072 4.959 ( -0.099 4.049 -0.426) 4.072 5.265 ( -4.169 -1.533 -3.671) 5.763 5.265 ( -4.169 1.533 -3.671) 5.763 6.293 ( 0.223 -4.417 -1.262) 4.600 6.293 ( 0.223 4.417 -1.262) 4.600 6.679 ( 8.881 -3.385 2.461) 9.817 6.679 ( 8.881 3.385 2.461) 9.817 7.134 ( -2.372 -4.468 -2.298) 5.557 7.134 ( -2.372 4.468 -2.298) 5.557 7.644 ( -0.149 -5.068 2.267) 5.554 7.644 ( -0.149 5.068 2.267) 5.554 8.366 ( 2.360 -5.251 2.463) 6.262 8.366 ( 2.360 5.251 2.463) 6.262 8.684 ( -12.542 -7.903 -3.522) 15.237 8.684 ( -12.542 7.903 -3.522) 15.237 9.127 ( -3.812 -6.709 0.877) 7.766 9.127 ( -3.812 6.709 0.877) 7.766 9.399 ( -3.214 -2.097 1.525) 4.130 9.399 ( -3.214 2.097 1.525) 4.130 10.271 ( 9.381 -3.890 0.367) 10.162 10.271 ( 9.381 3.890 0.367) 10.162 10.809 ( 2.513 -3.418 0.094) 4.243 10.809 ( 2.513 3.418 0.094) 4.243 12.879 ( 2.379 -2.815 -2.820) 4.641 12.879 ( 2.379 2.815 -2.820) 4.641 13.920 ( 29.552 -10.675 -8.467) 32.542 13.920 ( 29.552 10.675 -8.467) 32.542 15.325 ( 0.334 -2.384 -6.884) 7.293 15.325 ( 0.334 2.384 -6.884) 7.293 15.609 ( 4.708 -7.381 3.164) 9.309 15.609 ( 4.708 7.381 3.164) 9.309 18.353 ( -23.670 -11.315 11.877) 28.799 18.353 ( -23.670 11.315 11.877) 28.799 21.014 ( 1.720 -1.870 -1.908) 3.178 21.014 ( 1.720 1.870 -1.908) 3.178 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 6.552 -9.085 -2.383) 11.452 1.527 ( 6.552 9.085 -2.383) 11.452 1.830 ( 7.297 -4.389 0.063) 8.516 1.830 ( 7.297 4.389 0.063) 8.516 1.929 ( 2.507 -2.366 2.383) 4.191 1.929 ( 2.507 2.366 2.383) 4.191 2.223 ( 0.471 -6.606 -0.363) 6.633 2.223 ( 0.471 6.606 -0.363) 6.633 2.451 ( -3.782 -1.455 0.867) 4.144 2.451 ( -3.782 1.455 0.867) 4.144 2.549 ( -3.838 -4.348 -6.890) 9.006 2.549 ( -3.838 4.348 -6.890) 9.006 3.109 ( -7.248 -2.732 8.551) 11.538 3.109 ( -7.248 2.732 8.551) 11.538 3.432 ( -11.522 -10.330 0.493) 15.483 3.432 ( -11.522 10.330 0.493) 15.483 3.543 ( -4.013 -8.258 3.069) 9.680 3.543 ( -4.013 8.258 3.069) 9.680 4.018 ( 4.539 -6.402 1.353) 7.963 4.018 ( 4.539 6.402 1.353) 7.963 4.359 ( 3.410 -4.293 -2.971) 6.235 4.359 ( 3.410 4.293 -2.971) 6.235 4.790 ( 0.071 -8.132 3.628) 8.905 4.790 ( 0.071 8.132 3.628) 8.905 4.949 ( -1.259 -1.481 0.228) 1.957 4.949 ( -1.259 1.481 0.228) 1.957 5.157 ( -2.340 -0.875 -5.080) 5.661 5.157 ( -2.340 0.875 -5.080) 5.661 6.272 ( 0.178 -4.616 -2.916) 5.463 6.272 ( 0.178 4.616 -2.916) 5.463 6.861 ( 8.880 -2.374 3.448) 9.817 6.861 ( 8.880 2.374 3.448) 9.817 7.079 ( -1.937 -4.652 -0.994) 5.136 7.079 ( -1.937 4.652 -0.994) 5.136 7.656 ( -0.446 -4.548 0.720) 4.626 7.656 ( -0.446 4.548 0.720) 4.626 8.395 ( -5.292 -4.760 -0.297) 7.124 8.395 ( -5.292 4.760 -0.297) 7.124 8.497 ( -3.309 -7.783 0.868) 8.501 8.497 ( -3.309 7.783 0.868) 8.501 9.062 ( -4.396 -6.443 0.154) 7.801 9.062 ( -4.396 6.443 0.154) 7.801 9.396 ( -1.087 -3.534 2.678) 4.566 9.396 ( -1.087 3.534 2.678) 4.566 10.402 ( 5.387 -2.128 2.869) 6.464 10.402 ( 5.387 2.128 2.869) 6.464 10.833 ( 2.686 -1.954 -3.993) 5.194 10.833 ( 2.686 1.954 -3.993) 5.194 12.908 ( 3.641 -1.989 -1.161) 4.308 12.908 ( 3.641 1.989 -1.161) 4.308 14.261 ( 26.351 -2.276 -13.989) 29.921 14.261 ( 26.351 2.276 -13.989) 29.921 15.281 ( 3.058 -4.596 -3.593) 6.586 15.281 ( 3.058 4.596 -3.593) 6.586 15.757 ( 8.103 -11.211 4.380) 14.510 15.757 ( 8.103 11.211 4.380) 14.510 18.064 ( -28.246 -9.867 11.753) 32.145 18.064 ( -28.246 9.867 11.753) 32.145 21.018 ( 1.488 -1.499 -2.074) 2.960 21.018 ( 1.488 1.499 -2.074) 2.960 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 5.512 -7.630 2.237) 9.674 1.628 ( 5.512 7.630 2.237) 9.674 1.889 ( 1.167 -0.984 -2.995) 3.362 1.889 ( 1.167 0.984 -2.995) 3.362 2.064 ( 8.107 -2.831 2.889) 9.060 2.064 ( 8.107 2.831 2.889) 9.060 2.230 ( 1.443 -8.311 -0.184) 8.437 2.230 ( 1.443 8.311 -0.184) 8.437 2.385 ( -5.800 -1.371 1.454) 6.135 2.385 ( -5.800 1.371 1.454) 6.135 2.430 ( -1.552 -3.202 -4.566) 5.789 2.430 ( -1.552 3.202 -4.566) 5.789 3.072 ( -4.881 -3.471 4.720) 7.626 3.072 ( -4.881 3.471 4.720) 7.626 3.236 ( -9.755 -7.825 -2.410) 12.736 3.236 ( -9.755 7.825 -2.410) 12.736 3.580 ( 0.354 -2.098 4.697) 5.157 3.580 ( 0.354 2.098 4.697) 5.157 4.052 ( -0.172 -8.022 -0.243) 8.027 4.052 ( -0.172 8.022 -0.243) 8.027 4.365 ( 0.793 -6.665 -2.483) 7.157 4.365 ( 0.793 6.665 -2.483) 7.157 4.832 ( 0.892 -4.605 1.620) 4.963 4.832 ( 0.892 4.605 1.620) 4.963 4.951 ( -0.174 -3.826 2.826) 4.760 4.951 ( -0.174 3.826 2.826) 4.760 5.086 ( -0.101 -3.297 -4.023) 5.202 5.086 ( -0.101 3.297 -4.023) 5.202 6.237 ( -0.335 -3.666 -2.586) 4.499 6.237 ( -0.335 3.666 -2.586) 4.499 6.995 ( 1.811 -5.419 1.544) 5.918 6.995 ( 1.811 5.419 1.544) 5.918 7.071 ( 2.812 -8.770 0.703) 9.237 7.071 ( 2.812 8.770 0.703) 9.237 7.653 ( 0.025 -3.741 -0.354) 3.758 7.653 ( 0.025 3.741 -0.354) 3.758 8.265 ( -6.525 -4.450 -0.314) 7.904 8.265 ( -6.525 4.450 -0.314) 7.904 8.520 ( 0.620 -4.225 1.423) 4.501 8.520 ( 0.620 4.225 1.423) 4.501 9.014 ( -1.262 -5.360 -0.216) 5.511 9.014 ( -1.262 5.360 -0.216) 5.511 9.402 ( -1.543 -3.670 2.099) 4.501 9.402 ( -1.543 3.670 2.099) 4.501 10.523 ( 3.463 -2.666 5.980) 7.407 10.523 ( 3.463 2.666 5.980) 7.407 10.797 ( 0.781 -1.247 -7.140) 7.290 10.797 ( 0.781 1.247 -7.140) 7.290 12.957 ( 2.702 -0.617 0.136) 2.775 12.957 ( 2.702 0.617 0.136) 2.775 14.412 ( 11.244 -11.278 -11.399) 19.584 14.412 ( 11.244 11.278 -11.399) 19.584 15.348 ( 6.801 -10.666 -1.131) 12.700 15.348 ( 6.801 10.666 -1.131) 12.700 15.957 ( 10.080 -12.054 3.586) 16.117 15.957 ( 10.080 12.054 3.586) 16.117 17.746 ( -23.007 -7.591 7.432) 25.342 17.746 ( -23.007 7.591 7.432) 25.342 21.016 ( 0.818 -0.991 -1.364) 1.874 21.016 ( 0.818 0.991 -1.364) 1.874 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.000 -2.713 0.000) 2.713 1.710 ( -0.000 2.713 0.000) 2.713 1.853 ( 0.000 -0.690 0.000) 0.690 1.853 ( 0.000 0.690 0.000) 0.690 2.142 ( -0.000 -5.726 0.000) 5.726 2.142 ( -0.000 5.726 -0.000) 5.726 2.289 ( -0.000 -1.953 0.000) 1.953 2.289 ( -0.000 1.953 0.000) 1.953 2.318 ( 0.000 -7.614 -0.000) 7.614 2.318 ( 0.000 7.614 -0.000) 7.614 2.390 ( 0.000 -5.765 0.000) 5.765 2.390 ( 0.000 5.765 0.000) 5.765 3.081 ( 0.000 -3.425 0.000) 3.425 3.081 ( 0.000 3.425 0.000) 3.425 3.114 ( 0.000 -2.393 0.000) 2.393 3.114 ( 0.000 2.393 0.000) 2.393 3.613 ( 0.000 -1.180 0.000) 1.180 3.613 ( 0.000 1.180 0.000) 1.180 4.043 ( 0.000 -7.592 0.000) 7.592 4.043 ( 0.000 7.592 0.000) 7.592 4.351 ( -0.000 -6.813 0.000) 6.813 4.351 ( 0.000 6.813 0.000) 6.813 4.848 ( 0.000 -0.844 0.000) 0.844 4.848 ( 0.000 0.844 0.000) 0.844 4.974 ( 0.000 -3.532 0.000) 3.532 4.974 ( 0.000 3.532 0.000) 3.532 5.063 ( 0.000 -6.349 0.000) 6.349 5.063 ( 0.000 6.349 -0.000) 6.349 6.217 ( 0.000 -3.229 0.000) 3.229 6.217 ( 0.000 3.229 0.000) 3.229 7.001 ( 0.000 -1.887 0.000) 1.887 7.001 ( 0.000 1.887 0.000) 1.887 7.118 ( 0.000 -4.581 0.000) 4.581 7.118 ( 0.000 4.581 0.000) 4.581 7.651 ( 0.000 -3.679 0.000) 3.679 7.651 ( 0.000 3.679 0.000) 3.679 8.208 ( 0.000 -2.813 0.000) 2.813 8.208 ( 0.000 2.813 0.000) 2.813 8.531 ( 0.000 -3.044 0.000) 3.044 8.531 ( 0.000 3.044 0.000) 3.044 9.007 ( 0.000 -5.201 0.000) 5.201 9.007 ( 0.000 5.201 0.000) 5.201 9.400 ( 0.000 -2.989 0.000) 2.989 9.400 ( 0.000 2.989 0.000) 2.989 10.613 ( 0.000 -2.839 0.000) 2.839 10.613 ( 0.000 2.839 0.000) 2.839 10.735 ( 0.000 -1.130 -0.000) 1.130 10.735 ( 0.000 1.130 -0.000) 1.130 12.982 ( 0.000 -0.711 0.000) 0.711 12.982 ( 0.000 0.711 0.000) 0.711 14.427 ( 0.000 -15.905 0.000) 15.905 14.427 ( 0.000 15.905 0.000) 15.905 15.406 ( 0.000 -13.237 0.000) 13.237 15.406 ( 0.000 13.237 0.000) 13.237 16.081 ( 0.000 -4.655 0.000) 4.655 16.081 ( 0.000 4.656 0.000) 4.656 17.581 ( 0.000 -1.524 0.000) 1.524 17.581 ( 0.000 1.524 0.000) 1.524 21.015 ( 0.000 -0.681 0.000) 0.681 21.015 ( 0.000 0.681 -0.000) 0.681 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -3.469 0.000 22.686) 22.949 0.487 ( 3.763 0.000 25.377) 25.655 0.935 ( -7.836 0.000 47.501) 48.143 1.838 ( -1.098 0.000 -4.477) 4.610 1.972 ( 1.534 0.000 -8.809) 8.942 2.169 ( -3.316 0.000 -14.718) 15.087 2.323 ( -2.396 0.000 -4.733) 5.305 2.388 ( -2.639 0.000 -0.115) 2.641 2.547 ( -0.468 0.000 -1.632) 1.697 2.731 ( 2.848 0.000 -0.315) 2.866 2.755 ( 2.555 0.000 5.628) 6.181 2.831 ( 3.780 0.000 -1.184) 3.961 3.071 ( 4.647 0.000 -3.210) 5.648 3.138 ( 2.625 0.000 9.383) 9.743 3.265 ( 0.980 0.000 -7.412) 7.476 3.451 ( -1.023 0.000 10.444) 10.494 3.469 ( 8.546 0.000 0.489) 8.560 3.590 ( -2.178 0.000 12.988) 13.169 3.740 ( -5.834 0.000 0.035) 5.834 4.192 ( -1.758 0.000 -5.767) 6.029 4.291 ( -0.300 0.000 -3.561) 3.573 4.341 ( 4.065 0.000 -0.031) 4.066 4.781 ( -4.998 0.000 -8.706) 10.039 4.968 ( -10.586 0.000 1.706) 10.722 5.049 ( -3.187 0.000 0.716) 3.266 5.086 ( 17.645 0.000 0.311) 17.648 5.347 ( 1.354 0.000 -0.776) 1.560 5.566 ( -9.506 0.000 -8.087) 12.481 6.256 ( -5.475 0.000 -0.415) 5.491 6.398 ( -0.930 0.000 -0.360) 0.998 6.597 ( 3.286 0.000 -12.232) 12.666 6.656 ( 4.706 0.000 7.817) 9.125 6.767 ( 3.598 0.000 -2.999) 4.684 7.013 ( -0.564 0.000 3.701) 3.744 7.639 ( 0.691 0.000 1.630) 1.770 7.748 ( -3.302 0.000 1.482) 3.619 8.035 ( 0.239 0.000 -1.774) 1.790 8.149 ( -1.643 0.000 -1.192) 2.030 9.028 ( 0.801 0.000 0.838) 1.160 9.031 ( -5.503 0.000 2.846) 6.195 9.234 ( 3.477 0.000 4.455) 5.651 9.263 ( 11.147 0.000 -3.822) 11.784 9.522 ( -4.262 0.000 0.675) 4.315 9.594 ( -9.632 0.000 3.437) 10.227 9.862 ( -9.579 0.000 2.931) 10.017 9.961 ( -1.331 0.000 -0.440) 1.401 10.074 ( 7.669 0.000 9.002) 11.826 11.110 ( -0.223 0.000 -6.455) 6.459 12.741 ( 1.069 0.000 3.953) 4.095 13.168 ( 4.365 0.000 6.012) 7.429 13.215 ( 0.420 0.000 -3.608) 3.632 14.777 ( 4.321 0.000 -2.329) 4.909 14.832 ( -6.289 0.000 0.706) 6.329 15.379 ( 8.892 0.000 -29.163) 30.488 15.573 ( 14.257 0.000 1.067) 14.297 15.746 ( -29.066 0.000 -16.449) 33.398 17.303 ( 14.090 0.000 40.345) 42.734 18.817 ( -8.678 0.000 -3.368) 9.309 21.051 ( 0.240 0.000 -0.700) 0.740 21.166 ( -0.087 0.000 -2.339) 2.340 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 9.760 0.000 19.240) 21.573 0.897 ( 11.446 0.000 21.959) 24.763 1.474 ( 11.037 0.000 34.346) 36.076 1.715 ( -0.566 0.000 -14.904) 14.914 1.884 ( 4.004 0.000 -13.284) 13.875 2.042 ( -0.084 0.000 -2.366) 2.367 2.256 ( 3.227 0.000 -4.017) 5.153 2.368 ( -3.647 0.000 4.267) 5.613 2.429 ( -8.382 0.000 -2.904) 8.871 2.718 ( -1.228 0.000 -1.329) 1.810 2.802 ( -3.787 0.000 -1.321) 4.011 2.912 ( 6.077 0.000 6.166) 8.657 3.048 ( 0.882 0.000 -5.907) 5.972 3.169 ( -1.703 0.000 1.120) 2.039 3.392 ( 11.499 0.000 -2.114) 11.692 3.499 ( 1.082 0.000 -1.858) 2.150 3.535 ( -4.134 0.000 10.779) 11.545 3.579 ( -15.031 0.000 -2.245) 15.198 3.716 ( -2.947 0.000 14.478) 14.775 4.062 ( -6.825 0.000 -4.269) 8.050 4.265 ( 2.697 0.000 -3.091) 4.102 4.458 ( 6.921 0.000 3.695) 7.845 4.548 ( -9.438 0.000 -10.139) 13.851 4.800 ( -10.849 0.000 0.844) 10.882 5.016 ( -0.847 0.000 -0.481) 0.974 5.254 ( 5.405 0.000 0.272) 5.412 5.375 ( 1.637 0.000 0.710) 1.784 5.452 ( 5.505 0.000 -12.245) 13.425 6.141 ( -5.950 0.000 -0.334) 5.959 6.375 ( -3.348 0.000 1.841) 3.821 6.489 ( -0.807 0.000 -8.410) 8.448 6.822 ( 5.807 0.000 -2.489) 6.317 6.832 ( 4.933 0.000 7.475) 8.956 6.987 ( -3.800 0.000 -2.369) 4.478 7.658 ( -1.516 0.000 3.171) 3.514 7.679 ( -5.582 0.000 1.223) 5.714 8.056 ( 4.438 0.000 -1.418) 4.659 8.097 ( -1.895 0.000 -1.533) 2.437 8.885 ( -9.407 0.000 3.520) 10.044 9.031 ( -1.992 0.000 1.656) 2.590 9.227 ( -6.917 0.000 1.585) 7.096 9.358 ( -10.215 0.000 5.667) 11.682 9.379 ( 4.105 0.000 -0.606) 4.149 9.674 ( 0.741 0.000 -2.525) 2.631 9.980 ( 15.540 0.000 3.318) 15.891 10.073 ( 13.219 0.000 -0.792) 13.243 10.361 ( 13.265 0.000 10.821) 17.119 10.990 ( -2.642 0.000 -9.595) 9.953 12.792 ( -1.336 0.000 5.582) 5.740 13.132 ( -4.574 0.000 -4.644) 6.518 13.268 ( -6.081 0.000 13.192) 14.525 14.664 ( -27.457 0.000 -40.337) 48.795 14.832 ( 6.063 0.000 -3.653) 7.079 14.858 ( 4.580 0.000 3.362) 5.682 15.575 ( 0.981 0.000 -0.117) 0.988 15.631 ( -1.388 0.000 2.469) 2.832 17.982 ( 17.543 0.000 31.699) 36.229 18.744 ( 5.178 0.000 -9.989) 11.251 21.045 ( -0.104 0.000 -0.540) 0.550 21.126 ( -0.901 0.000 -3.137) 3.264 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 12.596 0.000 15.475) 19.954 1.305 ( 10.751 0.000 16.489) 19.684 1.571 ( 3.119 0.000 -9.824) 10.307 1.695 ( 2.152 0.000 -10.694) 10.909 2.016 ( -2.758 0.000 -3.013) 4.085 2.022 ( 12.179 0.000 6.094) 13.618 2.312 ( -3.897 0.000 3.197) 5.041 2.346 ( -1.564 0.000 4.332) 4.606 2.367 ( 4.577 0.000 4.272) 6.261 2.659 ( -5.459 0.000 0.144) 5.461 2.709 ( -5.917 0.000 -1.634) 6.139 2.967 ( -5.152 0.000 -1.794) 5.455 3.053 ( 1.970 0.000 1.731) 2.622 3.165 ( 2.287 0.000 -3.080) 3.836 3.286 ( -4.794 0.000 -2.296) 5.316 3.475 ( 2.349 0.000 -3.831) 4.494 3.528 ( -2.760 0.000 0.065) 2.760 3.535 ( -0.016 0.000 1.946) 1.946 3.821 ( -0.394 0.000 8.892) 8.901 3.896 ( -10.996 0.000 1.483) 11.096 4.279 ( -10.227 0.000 -8.610) 13.369 4.292 ( 1.634 0.000 0.701) 1.778 4.631 ( 6.974 0.000 5.687) 8.999 4.655 ( -4.344 0.000 -4.602) 6.329 5.017 ( 1.232 0.000 0.164) 1.242 5.316 ( 2.844 0.000 -1.987) 3.469 5.378 ( -4.474 0.000 1.841) 4.838 5.394 ( 1.937 0.000 -7.933) 8.166 6.096 ( -0.593 0.000 2.066) 2.149 6.349 ( -3.279 0.000 4.291) 5.400 6.392 ( -1.874 0.000 -4.967) 5.309 6.822 ( -8.632 0.000 -2.247) 8.919 6.900 ( 6.840 0.000 -7.791) 10.368 6.943 ( 0.384 0.000 3.448) 3.470 7.608 ( -4.117 0.000 0.168) 4.121 7.675 ( -0.985 0.000 4.247) 4.360 8.083 ( 1.757 0.000 -0.009) 1.757 8.141 ( 7.010 0.000 0.086) 7.011 8.820 ( -3.081 0.000 1.607) 3.475 9.030 ( 0.278 0.000 2.092) 2.110 9.105 ( -10.968 0.000 2.396) 11.227 9.148 ( -10.639 0.000 -4.334) 11.488 9.553 ( 4.775 0.000 8.723) 9.944 9.642 ( 0.355 0.000 -3.484) 3.502 10.246 ( 9.770 0.000 6.817) 11.913 10.279 ( 12.166 0.000 -2.578) 12.436 10.692 ( 13.935 0.000 6.659) 15.445 10.860 ( 1.569 0.000 -8.299) 8.446 12.833 ( -1.167 0.000 5.293) 5.420 12.980 ( -7.132 0.000 -4.882) 8.643 13.290 ( -10.904 0.000 16.110) 19.453 13.832 ( -21.833 0.000 -32.539) 39.186 14.901 ( 5.104 0.000 -0.989) 5.199 15.003 ( 6.825 0.000 4.294) 8.064 15.575 ( 0.155 0.000 -2.833) 2.837 15.648 ( -1.118 0.000 3.854) 4.012 18.542 ( 13.584 0.000 22.215) 26.039 18.721 ( 8.158 0.000 -13.124) 15.453 21.034 ( -0.811 0.000 -0.155) 0.826 21.072 ( -1.252 0.000 -2.977) 3.229 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 9.746 0.000 2.354) 10.026 1.509 ( 5.418 0.000 1.106) 5.530 1.643 ( 6.223 0.000 -2.742) 6.800 1.702 ( 9.522 0.000 8.716) 12.909 1.885 ( -7.149 0.000 -2.974) 7.743 2.114 ( -4.226 0.000 -6.031) 7.364 2.302 ( -1.273 0.000 -1.201) 1.750 2.347 ( -0.719 0.000 4.918) 4.970 2.365 ( -7.421 0.000 1.145) 7.509 2.561 ( -8.519 0.000 -3.037) 9.044 2.618 ( -2.447 0.000 4.547) 5.164 2.847 ( -9.670 0.000 1.138) 9.737 3.080 ( 5.874 0.000 -0.795) 5.927 3.165 ( 4.155 0.000 -5.698) 7.052 3.395 ( -6.556 0.000 2.619) 7.060 3.461 ( 11.096 0.000 2.628) 11.403 3.554 ( 1.683 0.000 6.453) 6.669 3.559 ( 15.636 0.000 -14.425) 21.274 3.774 ( -7.216 0.000 4.119) 8.309 3.891 ( 0.278 0.000 3.175) 3.187 4.041 ( -9.406 0.000 -4.718) 10.523 4.312 ( -1.683 0.000 2.839) 3.300 4.564 ( -0.060 0.000 -4.670) 4.671 4.772 ( 2.843 0.000 4.160) 5.039 5.044 ( -0.221 0.000 1.020) 1.044 5.229 ( -5.701 0.000 -6.368) 8.547 5.271 ( -9.826 0.000 2.348) 10.102 5.403 ( 3.410 0.000 -0.965) 3.544 6.138 ( 2.157 0.000 1.086) 2.414 6.321 ( -2.121 0.000 -1.566) 2.637 6.395 ( -0.492 0.000 9.345) 9.358 6.622 ( -6.958 0.000 -7.563) 10.277 6.915 ( -4.712 0.000 -1.284) 4.884 6.935 ( 4.613 0.000 -3.818) 5.988 7.554 ( -1.971 0.000 -1.106) 2.260 7.729 ( 1.954 0.000 3.281) 3.819 8.156 ( 5.783 0.000 1.935) 6.098 8.283 ( 8.560 0.000 2.824) 9.014 8.799 ( -2.052 0.000 0.718) 2.174 8.917 ( -10.377 0.000 -6.312) 12.145 8.939 ( -11.397 0.000 1.136) 11.453 9.099 ( 3.959 0.000 2.809) 4.854 9.614 ( 0.263 0.000 -2.292) 2.307 9.677 ( -1.554 0.000 6.403) 6.589 10.370 ( 7.197 0.000 -5.428) 9.014 10.442 ( 5.082 0.000 6.379) 8.156 10.906 ( 9.468 0.000 -1.886) 9.654 10.927 ( 8.550 0.000 2.683) 8.961 12.802 ( -7.463 0.000 -5.378) 9.199 12.866 ( -0.710 0.000 2.727) 2.818 13.295 ( -9.548 0.000 -16.412) 18.988 13.300 ( -9.845 0.000 15.357) 18.241 14.967 ( 3.809 0.000 -0.092) 3.810 15.146 ( 4.463 0.000 4.195) 6.125 15.512 ( -1.962 0.000 -4.826) 5.209 15.669 ( -1.732 0.000 3.431) 3.843 18.715 ( 9.382 0.000 -12.658) 15.756 18.903 ( 7.422 0.000 11.581) 13.755 21.018 ( -1.400 0.000 0.581) 1.515 21.026 ( -0.956 0.000 -1.727) 1.974 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 4.812 0.000 -6.059) 7.738 1.615 ( 2.053 0.000 5.526) 5.895 1.766 ( -1.917 0.000 -0.119) 1.920 1.773 ( -2.459 0.000 -1.729) 3.006 1.893 ( 5.715 0.000 2.085) 6.084 1.950 ( 1.844 0.000 1.537) 2.401 2.245 ( -13.491 0.000 -1.454) 13.569 2.270 ( -3.778 0.000 -2.559) 4.563 2.323 ( 0.166 0.000 2.548) 2.554 2.498 ( 0.999 0.000 2.375) 2.577 2.625 ( -3.230 0.000 2.662) 4.185 2.710 ( -6.585 0.000 0.765) 6.629 3.163 ( 7.504 0.000 -3.417) 8.245 3.182 ( 5.049 0.000 -5.035) 7.131 3.345 ( -1.689 0.000 -0.900) 1.914 3.486 ( -2.704 0.000 1.879) 3.293 3.655 ( -0.881 0.000 -2.755) 2.893 3.701 ( 17.777 0.000 -9.363) 20.091 3.786 ( 0.253 0.000 -1.727) 1.745 3.881 ( -0.416 0.000 -5.507) 5.522 3.964 ( 1.994 0.000 5.636) 5.978 4.326 ( -2.125 0.000 6.340) 6.687 4.562 ( 1.861 0.000 1.981) 2.718 4.821 ( -0.790 0.000 2.475) 2.598 4.960 ( -9.524 0.000 0.251) 9.527 5.056 ( -6.834 0.000 -2.890) 7.420 5.209 ( -1.999 0.000 2.502) 3.202 5.439 ( 2.236 0.000 -1.107) 2.495 6.179 ( 1.837 0.000 1.023) 2.103 6.282 ( -1.718 0.000 -0.746) 1.873 6.479 ( -1.030 0.000 -4.553) 4.668 6.485 ( -3.187 0.000 6.897) 7.597 6.815 ( -3.332 0.000 -1.141) 3.522 6.964 ( 3.153 0.000 -1.878) 3.671 7.519 ( -0.014 0.000 -2.313) 2.313 7.785 ( 1.794 0.000 -0.141) 1.799 8.303 ( 7.935 0.000 3.926) 8.853 8.469 ( 9.140 0.000 4.261) 10.084 8.685 ( -9.231 0.000 -5.740) 10.870 8.702 ( -11.428 0.000 0.997) 11.471 8.837 ( -1.273 0.000 -0.311) 1.310 9.186 ( 2.840 0.000 1.134) 3.058 9.600 ( 0.560 0.000 -1.190) 1.315 9.643 ( -5.462 0.000 0.175) 5.465 10.460 ( 7.284 0.000 0.102) 7.285 10.546 ( 0.570 0.000 3.820) 3.862 11.024 ( 5.956 0.000 -1.597) 6.166 11.035 ( 3.297 0.000 0.257) 3.307 12.660 ( -3.261 0.000 -2.178) 3.922 12.867 ( -1.032 0.000 0.175) 1.047 13.128 ( -0.368 0.000 -2.063) 2.095 13.299 ( -9.110 0.000 9.916) 13.465 15.021 ( 1.981 0.000 1.535) 2.506 15.231 ( 0.826 0.000 3.038) 3.148 15.439 ( 0.186 0.000 -3.733) 3.738 15.666 ( -2.290 0.000 1.913) 2.984 18.741 ( 9.452 0.000 -9.434) 13.354 19.041 ( 1.073 0.000 0.798) 1.337 21.007 ( -1.315 0.000 1.523) 2.012 21.008 ( -0.139 0.000 0.135) 0.194 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 3.487 0.000 1.870) 3.957 1.671 ( -6.784 0.000 8.302) 10.721 1.703 ( 1.159 0.000 -5.819) 5.933 1.730 ( 0.732 0.000 -3.279) 3.360 1.964 ( 0.073 0.000 -2.417) 2.418 2.050 ( 0.166 0.000 -3.273) 3.277 2.054 ( 1.132 0.000 5.318) 5.437 2.225 ( 1.451 0.000 0.154) 1.459 2.366 ( 1.901 0.000 2.689) 3.294 2.508 ( -3.286 0.000 0.722) 3.365 2.545 ( -5.358 0.000 -2.391) 5.867 2.712 ( 2.613 0.000 5.160) 5.784 3.178 ( 2.722 0.000 -8.350) 8.783 3.278 ( 9.827 0.000 -1.770) 9.985 3.314 ( -1.244 0.000 -0.316) 1.284 3.386 ( -10.169 0.000 -1.532) 10.283 3.578 ( 0.248 0.000 -8.324) 8.328 3.763 ( 0.783 0.000 -11.970) 11.995 3.845 ( 5.757 0.000 3.565) 6.771 3.870 ( 8.035 0.000 -1.883) 8.253 3.931 ( -10.525 0.000 -0.015) 10.525 4.381 ( -1.221 0.000 6.001) 6.124 4.631 ( -0.427 0.000 5.729) 5.745 4.814 ( -2.650 0.000 2.017) 3.330 4.870 ( 0.015 0.000 0.445) 0.445 5.042 ( 6.268 0.000 2.311) 6.680 5.196 ( -2.352 0.000 1.066) 2.582 5.442 ( 0.277 0.000 -2.064) 2.083 6.225 ( 1.739 0.000 1.924) 2.593 6.261 ( 1.686 0.000 -1.273) 2.113 6.390 ( -9.905 0.000 -1.838) 10.074 6.487 ( 3.568 0.000 0.467) 3.598 6.833 ( 1.842 0.000 3.708) 4.140 7.003 ( 2.944 0.000 0.588) 3.003 7.499 ( 1.223 0.000 -3.006) 3.245 7.755 ( -2.144 0.000 -5.040) 5.477 8.448 ( -4.208 0.000 6.795) 7.993 8.507 ( -6.818 0.000 -2.293) 7.193 8.563 ( 0.928 0.000 -0.543) 1.075 8.670 ( 9.599 0.000 4.102) 10.439 8.830 ( 0.162 0.000 -0.093) 0.187 9.188 ( -2.164 0.000 -1.970) 2.927 9.564 ( -1.765 0.000 -3.009) 3.488 9.606 ( 1.537 0.000 -0.702) 1.690 10.550 ( -3.892 0.000 2.115) 4.429 10.564 ( 1.837 0.000 4.537) 4.895 11.045 ( 0.220 0.000 -3.502) 3.509 11.048 ( -0.780 0.000 -1.578) 1.760 12.667 ( 3.512 0.000 2.275) 4.184 12.844 ( -0.769 0.000 -1.611) 1.785 13.197 ( 6.482 0.000 6.064) 8.876 13.209 ( -10.537 0.000 2.360) 10.798 15.067 ( -0.062 0.000 3.715) 3.716 15.240 ( -2.815 0.000 1.542) 3.210 15.460 ( 4.502 0.000 0.707) 4.557 15.643 ( -1.934 0.000 -0.062) 1.935 18.803 ( 8.178 0.000 -5.038) 9.605 18.960 ( -5.625 0.000 -8.430) 10.134 21.012 ( -0.626 0.000 2.087) 2.179 21.025 ( 0.822 0.000 1.731) 1.916 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -15.555 0.000 -6.334) 16.795 1.508 ( -11.856 0.000 -7.599) 14.082 1.748 ( 8.411 0.000 0.248) 8.415 1.749 ( -4.159 0.000 8.477) 9.442 1.947 ( 4.420 0.000 4.123) 6.044 2.161 ( 10.658 0.000 -4.166) 11.443 2.202 ( 10.497 0.000 3.161) 10.962 2.257 ( 0.071 0.000 0.804) 0.807 2.428 ( 4.355 0.000 -0.783) 4.424 2.442 ( -2.462 0.000 -2.108) 3.241 2.474 ( -6.128 0.000 5.353) 8.137 2.848 ( 4.939 0.000 6.162) 7.897 3.073 ( 1.478 0.000 -15.272) 15.343 3.156 ( -9.899 0.000 -5.900) 11.524 3.290 ( -2.042 0.000 0.302) 2.064 3.376 ( 2.340 0.000 -6.396) 6.811 3.524 ( 1.720 0.000 -4.281) 4.614 3.629 ( -11.586 0.000 -1.123) 11.640 3.663 ( 1.608 0.000 -8.151) 8.308 3.921 ( -1.355 0.000 2.454) 2.803 4.112 ( 9.904 0.000 11.822) 15.423 4.373 ( -3.709 0.000 -0.812) 3.797 4.686 ( -0.329 0.000 6.067) 6.075 4.778 ( -4.315 0.000 0.379) 4.331 4.974 ( 9.582 0.000 1.285) 9.668 5.182 ( -0.683 0.000 2.541) 2.631 5.221 ( 11.331 0.000 0.514) 11.343 5.405 ( -0.886 0.000 -3.309) 3.426 6.183 ( -6.777 0.000 -5.992) 9.046 6.292 ( -1.231 0.000 6.155) 6.277 6.320 ( 5.474 0.000 0.913) 5.550 6.567 ( 5.339 0.000 0.122) 5.341 6.891 ( 0.862 0.000 0.897) 1.244 7.071 ( 2.661 0.000 2.745) 3.823 7.493 ( 2.128 0.000 -2.427) 3.228 7.631 ( -3.094 0.000 -7.064) 7.712 8.333 ( -11.615 0.000 4.779) 12.560 8.400 ( -6.657 0.000 1.808) 6.898 8.704 ( 9.246 0.000 1.236) 9.328 8.836 ( -0.217 0.000 1.085) 1.106 8.867 ( 10.102 0.000 1.992) 10.296 9.093 ( -4.662 0.000 -3.610) 5.897 9.505 ( -0.637 0.000 -4.814) 4.856 9.635 ( 3.057 0.000 -0.647) 3.124 10.484 ( -7.787 0.000 3.616) 8.586 10.624 ( -3.118 0.000 7.405) 8.035 10.966 ( -5.777 0.000 -4.248) 7.170 10.969 ( -2.600 0.000 -4.182) 4.924 12.785 ( 6.805 0.000 2.528) 7.260 12.791 ( -2.609 0.000 -4.167) 4.916 13.061 ( -6.724 0.000 -0.563) 6.748 13.502 ( 18.489 0.000 12.773) 22.472 15.096 ( -2.621 0.000 5.087) 5.723 15.179 ( -5.923 0.000 0.398) 5.936 15.579 ( 5.473 0.000 4.959) 7.386 15.597 ( -1.883 0.000 -2.934) 3.487 18.675 ( -13.058 0.000 -15.307) 20.120 18.882 ( 5.797 0.000 -1.335) 5.949 21.030 ( 0.004 0.000 1.823) 1.823 21.068 ( 1.566 0.000 2.362) 2.834 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -20.721 0.000 -7.904) 22.177 1.161 ( -17.508 0.000 -10.383) 20.355 1.844 ( -1.561 0.000 0.921) 1.813 1.860 ( 2.907 0.000 13.157) 13.475 2.130 ( 8.521 0.000 6.205) 10.541 2.188 ( -2.938 0.000 -1.199) 3.173 2.238 ( -15.730 0.000 -3.171) 16.046 2.248 ( 0.152 0.000 -1.750) 1.757 2.395 ( -1.975 0.000 5.268) 5.626 2.453 ( 9.898 0.000 -6.257) 11.710 2.519 ( 6.789 0.000 -1.462) 6.944 2.907 ( 4.038 0.000 -16.547) 17.033 3.005 ( 5.662 0.000 2.645) 6.249 3.028 ( -3.071 0.000 -2.917) 4.235 3.252 ( -2.387 0.000 -0.752) 2.503 3.262 ( -1.698 0.000 -5.584) 5.837 3.447 ( 2.740 0.000 2.077) 3.438 3.612 ( -0.087 0.000 -4.578) 4.579 3.730 ( 11.667 0.000 1.202) 11.728 3.896 ( -6.651 0.000 3.820) 7.670 4.272 ( -2.334 0.000 -6.142) 6.570 4.412 ( 10.392 0.000 11.206) 15.283 4.689 ( -6.755 0.000 0.104) 6.756 4.761 ( -0.184 0.000 7.833) 7.835 5.096 ( 1.075 0.000 3.436) 3.600 5.257 ( 6.257 0.000 1.064) 6.346 5.324 ( -1.825 0.000 -2.983) 3.497 5.407 ( 11.361 0.000 -4.088) 12.074 6.051 ( -2.491 0.000 -2.115) 3.268 6.351 ( -0.297 0.000 5.825) 5.832 6.431 ( 6.751 0.000 0.117) 6.752 6.652 ( 5.444 0.000 -0.318) 5.453 6.856 ( -2.933 0.000 -4.480) 5.355 7.122 ( 0.346 0.000 0.576) 0.672 7.523 ( 2.996 0.000 0.666) 3.069 7.543 ( 0.758 0.000 -4.207) 4.275 8.229 ( -7.999 0.000 5.413) 9.659 8.315 ( -7.733 0.000 2.859) 8.245 8.842 ( 5.293 0.000 -3.152) 6.161 8.847 ( 1.307 0.000 4.943) 5.113 8.984 ( -1.567 0.000 -4.001) 4.297 9.028 ( 8.036 0.000 -1.184) 8.122 9.440 ( -1.623 0.000 -2.353) 2.858 9.687 ( 4.167 0.000 -0.738) 4.232 10.398 ( -10.732 0.000 8.229) 13.524 10.576 ( -12.284 0.000 4.384) 13.043 10.755 ( -12.194 0.000 -7.620) 14.379 10.949 ( 3.894 0.000 0.457) 3.921 12.683 ( -2.575 0.000 -4.494) 5.180 12.932 ( 8.440 0.000 1.574) 8.585 13.018 ( -0.046 0.000 1.602) 1.602 14.037 ( 28.531 0.000 11.340) 30.702 15.068 ( -8.045 0.000 0.357) 8.053 15.107 ( -3.482 0.000 6.686) 7.538 15.508 ( -2.078 0.000 -7.531) 7.813 15.730 ( 3.391 0.000 9.434) 10.025 18.201 ( -21.226 0.000 -19.528) 28.842 18.952 ( 3.195 0.000 0.931) 3.328 21.048 ( 0.186 0.000 0.900) 0.919 21.121 ( 1.822 0.000 1.865) 2.607 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -21.496 0.000 1.271) 21.533 0.742 ( -21.078 0.000 -7.365) 22.327 1.485 ( -40.446 0.000 2.648) 40.533 1.997 ( -5.561 0.000 3.447) 6.543 2.071 ( 0.307 0.000 -2.976) 2.992 2.200 ( 6.467 0.000 10.985) 12.747 2.231 ( 0.144 0.000 -1.074) 1.084 2.350 ( 10.867 0.000 1.391) 10.956 2.457 ( -0.077 0.000 6.222) 6.222 2.551 ( 11.262 0.000 -7.614) 13.594 2.578 ( 5.039 0.000 -5.009) 7.105 2.822 ( 6.523 0.000 -11.695) 13.391 2.882 ( -7.676 0.000 -3.101) 8.279 3.111 ( 4.597 0.000 -1.712) 4.905 3.204 ( 1.809 0.000 -6.568) 6.812 3.216 ( -1.154 0.000 2.832) 3.058 3.538 ( -3.313 0.000 -3.206) 4.610 3.690 ( 14.277 0.000 7.072) 15.932 3.774 ( -12.184 0.000 1.324) 12.256 3.940 ( 13.447 0.000 -0.254) 13.449 4.210 ( 2.938 0.000 -4.788) 5.618 4.565 ( -8.174 0.000 -0.840) 8.217 4.662 ( 8.148 0.000 4.677) 9.395 4.855 ( -0.822 0.000 10.001) 10.034 5.117 ( -3.161 0.000 4.025) 5.118 5.225 ( -3.929 0.000 -5.398) 6.677 5.336 ( 3.004 0.000 -1.051) 3.182 5.553 ( 11.289 0.000 -2.767) 11.623 6.077 ( 4.818 0.000 2.847) 5.597 6.411 ( 0.070 0.000 4.911) 4.912 6.523 ( 8.085 0.000 -4.815) 9.410 6.716 ( -5.532 0.000 -6.688) 8.679 6.742 ( 3.599 0.000 3.350) 4.917 7.075 ( -3.003 0.000 -4.930) 5.773 7.552 ( 3.426 0.000 -1.294) 3.662 7.595 ( 2.143 0.000 3.778) 4.344 8.198 ( -4.087 0.000 5.514) 6.864 8.205 ( -8.032 0.000 0.394) 8.041 8.839 ( -2.749 0.000 2.428) 3.668 8.954 ( 2.437 0.000 -2.135) 3.240 8.964 ( 8.469 0.000 -0.734) 8.501 9.113 ( 5.270 0.000 -3.010) 6.069 9.425 ( 0.382 0.000 2.060) 2.095 9.750 ( 3.953 0.000 0.646) 4.005 10.330 ( -12.735 0.000 10.512) 16.513 10.369 ( -16.918 0.000 2.506) 17.102 10.431 ( -13.781 0.000 -8.234) 16.053 11.054 ( 6.127 0.000 1.086) 6.222 12.650 ( 1.555 0.000 -0.119) 1.560 13.068 ( 1.551 0.000 4.012) 4.302 13.083 ( 8.591 0.000 0.291) 8.596 14.547 ( 23.557 0.000 -1.911) 23.634 14.952 ( -7.922 0.000 3.664) 8.728 15.179 ( 4.695 0.000 6.218) 7.792 15.353 ( -2.259 0.000 -14.490) 14.665 15.943 ( 5.317 0.000 19.060) 19.788 17.563 ( -30.117 0.000 -19.395) 35.822 19.007 ( 1.703 0.000 2.089) 2.695 21.055 ( 0.173 0.000 -0.057) 0.183 21.163 ( 1.508 0.000 0.559) 1.608 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( -19.335 0.000 8.803) 21.245 0.437 ( -18.798 0.000 17.440) 25.642 0.901 ( -43.068 0.000 24.890) 49.743 1.907 ( -5.184 0.000 -0.152) 5.187 2.037 ( 0.246 0.000 -5.003) 5.010 2.263 ( 2.008 0.000 6.833) 7.122 2.381 ( 1.264 0.000 -14.758) 14.812 2.450 ( 7.841 0.000 6.934) 10.467 2.473 ( -1.037 0.000 -4.877) 4.986 2.610 ( 2.333 0.000 4.442) 5.018 2.703 ( 14.050 0.000 -3.026) 14.373 2.778 ( -3.053 0.000 -0.796) 3.155 2.885 ( 6.468 0.000 5.661) 8.596 3.110 ( 4.076 0.000 -6.779) 7.910 3.206 ( 3.049 0.000 5.825) 6.575 3.306 ( -0.018 0.000 10.176) 10.176 3.443 ( -4.447 0.000 -4.314) 6.196 3.581 ( -10.874 0.000 3.502) 11.424 3.870 ( 5.999 0.000 -9.720) 11.422 4.159 ( 11.034 0.000 1.568) 11.145 4.245 ( 5.309 0.000 -1.807) 5.608 4.419 ( -6.830 0.000 -2.670) 7.334 4.778 ( 5.785 0.000 0.864) 5.849 4.919 ( -1.293 0.000 1.663) 2.106 5.093 ( -4.208 0.000 2.538) 4.914 5.096 ( -4.274 0.000 -4.475) 6.188 5.347 ( 0.590 0.000 -1.208) 1.344 5.707 ( 7.390 0.000 -0.406) 7.401 6.221 ( 5.256 0.000 5.043) 7.284 6.446 ( -0.702 0.000 -0.558) 0.897 6.578 ( -3.412 0.000 -0.190) 3.417 6.594 ( 10.507 0.000 -9.021) 13.848 6.807 ( -1.576 0.000 0.315) 1.607 6.968 ( -1.386 0.000 -0.952) 1.681 7.600 ( 2.780 0.000 0.203) 2.788 7.674 ( 1.584 0.000 6.900) 7.079 8.090 ( -4.686 0.000 -1.481) 4.914 8.189 ( -3.062 0.000 1.358) 3.350 8.841 ( -0.247 0.000 7.911) 7.914 8.992 ( 3.275 0.000 -0.568) 3.324 9.106 ( 9.229 0.000 -0.428) 9.239 9.157 ( 3.057 0.000 0.322) 3.074 9.488 ( 3.247 0.000 2.456) 4.071 9.843 ( 1.647 0.000 7.281) 7.465 10.061 ( -11.853 0.000 -9.328) 15.083 10.120 ( -15.842 0.000 1.409) 15.905 10.265 ( -13.850 0.000 -7.693) 15.843 11.131 ( 3.685 0.000 -2.267) 4.327 12.697 ( 1.560 0.000 1.646) 2.268 13.114 ( -0.264 0.000 -0.714) 0.761 13.195 ( 5.684 0.000 -1.670) 5.924 14.730 ( 7.897 0.000 -5.043) 9.370 15.025 ( 6.368 0.000 19.382) 20.402 15.089 ( -7.434 0.000 -12.314) 14.384 15.343 ( 13.176 0.000 -7.074) 14.955 16.280 ( 7.324 0.000 -1.877) 7.561 16.919 ( -28.206 0.000 12.260) 30.755 19.037 ( -0.902 0.000 -3.311) 3.431 21.054 ( 0.235 0.000 -0.597) 0.641 21.179 ( 0.792 0.000 -1.010) 1.283 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -6.774 18.695 11.886) 23.166 0.738 ( -5.507 16.404 19.187) 25.837 1.264 ( 1.208 28.535 32.611) 43.350 1.852 ( -1.540 0.988 -5.344) 5.648 1.987 ( 0.882 1.385 -9.066) 9.214 2.122 ( -2.868 -4.520 -12.141) 13.268 2.304 ( -1.602 -4.875 -3.915) 6.454 2.340 ( -2.163 0.019 0.188) 2.171 2.543 ( -0.533 -1.695 -1.820) 2.543 2.605 ( 4.797 -6.454 1.523) 8.185 2.700 ( 0.948 -3.156 -0.943) 3.428 2.832 ( 1.898 -3.041 0.514) 3.622 3.120 ( 7.285 4.273 -4.032) 9.359 3.153 ( 2.269 1.355 14.657) 14.894 3.290 ( 1.902 -8.068 9.181) 12.370 3.467 ( 1.961 7.641 -2.265) 8.207 3.475 ( -1.603 -0.908 8.046) 8.254 3.558 ( -4.492 5.327 -0.286) 6.974 3.739 ( 0.687 -2.284 -0.674) 2.479 4.151 ( -3.574 -3.009 -6.471) 7.981 4.287 ( 3.251 -1.579 0.833) 3.709 4.377 ( 0.879 3.018 -5.206) 6.081 4.719 ( -4.884 -4.136 -4.344) 7.735 4.879 ( -5.826 -3.613 0.186) 6.858 5.071 ( 5.502 3.000 1.244) 6.389 5.112 ( 2.085 -0.471 -0.356) 2.167 5.325 ( 1.122 -1.621 -0.325) 1.998 5.569 ( -1.780 -1.625 -4.408) 5.024 6.255 ( -4.784 -0.331 0.110) 4.796 6.423 ( 0.726 0.470 -1.155) 1.442 6.581 ( 1.705 -1.225 -9.043) 9.283 6.633 ( 4.284 0.961 5.117) 6.742 6.787 ( 4.077 -0.031 0.618) 4.124 6.982 ( -2.038 1.884 4.104) 4.955 7.629 ( -1.031 -0.512 0.304) 1.191 7.842 ( -2.097 -0.875 -4.637) 5.164 8.147 ( -1.306 5.050 -5.742) 7.757 8.309 ( 1.244 15.821 -10.398) 18.973 8.903 ( -1.800 -9.901 4.490) 11.019 9.037 ( -5.027 -0.340 1.459) 5.245 9.178 ( 0.269 -3.033 1.873) 3.575 9.277 ( 11.161 -0.471 5.203) 12.324 9.412 ( -1.575 -1.253 6.107) 6.430 9.628 ( -5.930 0.799 3.446) 6.904 9.853 ( -12.055 0.139 1.581) 12.159 9.988 ( 5.383 0.399 4.270) 6.882 10.193 ( 3.811 10.405 4.487) 11.955 11.072 ( -0.232 -3.607 -5.966) 6.975 12.720 ( -1.873 0.592 1.044) 2.224 13.107 ( 0.660 -3.414 0.145) 3.480 13.182 ( -3.175 -3.971 1.464) 5.291 14.627 ( 3.194 -20.521 -10.131) 23.107 14.924 ( 6.813 8.417 -7.818) 13.356 15.231 ( 4.670 -1.106 -7.152) 8.613 15.548 ( -10.047 -4.869 4.995) 12.231 15.902 ( -7.868 7.188 -20.967) 23.520 17.472 ( 10.920 16.810 34.722) 40.093 18.851 ( -2.809 2.119 -1.476) 3.816 21.036 ( 0.189 -1.369 -0.732) 1.563 21.150 ( -0.040 -1.563 -2.348) 2.821 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 10.954 8.880 15.293) 20.802 0.949 ( 2.272 7.205 21.740) 23.015 1.698 ( 0.715 1.825 -11.411) 11.578 1.731 ( 9.364 16.852 21.215) 28.666 1.922 ( 3.896 3.335 -10.778) 11.936 2.013 ( -0.530 -2.647 -2.553) 3.716 2.242 ( 1.781 -1.026 -1.223) 2.392 2.328 ( -4.081 -2.592 3.711) 6.095 2.429 ( -6.589 -0.862 -4.132) 7.825 2.675 ( 1.023 -4.771 -1.536) 5.115 2.718 ( 0.116 -4.970 2.198) 5.436 2.848 ( 1.543 -5.590 1.687) 6.039 3.120 ( -0.225 5.950 -3.230) 6.774 3.168 ( -6.147 -0.817 -0.586) 6.229 3.397 ( 0.457 -3.101 5.747) 6.546 3.470 ( -3.668 -0.712 8.136) 8.953 3.563 ( -3.581 1.246 3.193) 4.958 3.584 ( 3.636 6.529 0.558) 7.494 3.729 ( -1.266 -0.460 0.360) 1.394 3.999 ( -6.341 -4.755 -4.099) 8.923 4.319 ( 3.004 3.534 -2.769) 5.402 4.422 ( 4.782 -2.661 0.290) 5.480 4.571 ( -4.992 0.914 -4.422) 6.731 4.762 ( -5.805 -0.838 -1.425) 6.035 5.065 ( -1.816 2.828 -0.752) 3.444 5.229 ( 5.470 -2.207 0.373) 5.910 5.349 ( 0.309 -2.846 -0.011) 2.863 5.456 ( 0.389 -0.432 -8.451) 8.471 6.160 ( -5.542 1.367 0.438) 5.725 6.411 ( -1.727 2.718 0.425) 3.248 6.498 ( -0.328 0.383 -6.655) 6.674 6.768 ( 5.844 -0.066 2.083) 6.204 6.880 ( 3.863 -2.229 -0.095) 4.462 6.966 ( -2.989 1.894 2.434) 4.295 7.613 ( -2.082 -1.196 1.456) 2.808 7.748 ( -2.829 1.808 -3.851) 5.109 8.107 ( 2.483 4.283 -2.012) 5.344 8.197 ( -4.158 9.580 -2.472) 10.732 8.850 ( -8.086 -3.553 4.479) 9.903 9.001 ( -1.145 -3.460 3.979) 5.396 9.154 ( -7.382 -3.508 1.102) 8.247 9.347 ( -0.618 -1.502 8.874) 9.022 9.421 ( -4.862 2.789 -6.667) 8.710 9.658 ( -2.657 -2.082 0.021) 3.376 9.946 ( 18.941 -0.801 5.039) 19.616 10.171 ( 13.245 5.040 0.015) 14.171 10.384 ( 8.671 4.112 9.946) 13.821 10.957 ( -2.927 -2.959 -9.051) 9.963 12.723 ( -2.764 -4.039 4.899) 6.925 13.126 ( 3.152 -2.278 -3.031) 4.931 13.176 ( -5.115 -4.871 7.876) 10.579 14.384 ( -9.356 -17.867 -26.887) 33.611 14.961 ( -0.036 10.763 -0.769) 10.791 15.052 ( -0.517 8.365 -8.104) 11.658 15.540 ( 0.787 -2.347 2.135) 3.269 15.715 ( -0.942 5.569 -2.894) 6.346 18.032 ( 11.399 5.757 29.730) 32.357 18.789 ( 1.367 3.410 -6.878) 7.797 21.029 ( -0.215 -1.540 -0.652) 1.686 21.114 ( -0.514 -1.223 -3.078) 3.351 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 10.930 6.933 15.063) 19.860 1.281 ( 10.217 -0.286 16.268) 19.212 1.581 ( 4.336 0.648 -8.390) 9.467 1.811 ( 1.514 7.463 -13.271) 15.301 1.996 ( -0.208 -0.714 -2.046) 2.177 2.061 ( 6.584 3.241 3.848) 8.286 2.227 ( -4.512 -5.956 1.419) 7.606 2.323 ( -2.037 -2.953 1.934) 4.075 2.404 ( 1.832 2.153 5.532) 6.213 2.642 ( -3.461 -2.555 -0.650) 4.350 2.681 ( -4.238 -1.487 0.260) 4.499 2.925 ( 0.729 -6.648 1.951) 6.966 3.054 ( -5.830 3.770 2.424) 7.353 3.131 ( 3.497 -2.529 -3.574) 5.603 3.279 ( -6.926 -0.254 -0.896) 6.989 3.496 ( -8.695 0.350 10.092) 13.325 3.525 ( 4.689 2.784 -6.202) 8.259 3.606 ( 3.751 4.911 -4.951) 7.919 3.792 ( 0.982 -0.457 4.983) 5.100 3.858 ( -8.803 -3.151 0.534) 9.365 4.289 ( -3.571 1.905 -7.358) 8.398 4.384 ( -1.889 3.931 1.085) 4.494 4.626 ( 5.677 -0.089 5.052) 7.600 4.668 ( -2.223 2.341 -3.448) 4.723 5.036 ( -0.586 1.148 -0.101) 1.293 5.279 ( -2.541 -5.705 -3.981) 7.406 5.297 ( 0.573 -2.911 0.390) 2.992 5.409 ( -0.468 -1.136 -3.811) 4.004 6.122 ( -0.505 1.940 1.938) 2.788 6.395 ( -1.704 4.087 2.614) 5.142 6.426 ( -1.287 3.056 -3.703) 4.971 6.786 ( -8.498 -1.820 -1.666) 8.849 6.863 ( 6.163 -1.756 -5.237) 8.276 7.016 ( 1.715 4.305 2.225) 5.141 7.594 ( -2.575 -0.785 1.535) 3.099 7.689 ( -0.852 0.990 -0.255) 1.331 8.134 ( 0.407 4.300 -1.464) 4.561 8.178 ( 4.627 3.852 2.310) 6.449 8.800 ( -3.294 -1.949 2.379) 4.506 9.025 ( -1.840 -0.971 1.211) 2.407 9.041 ( -7.513 -5.217 3.041) 9.639 9.173 ( -11.725 2.285 -3.335) 12.402 9.528 ( 5.491 -2.839 5.163) 8.054 9.610 ( -1.453 -2.654 -0.092) 3.027 10.270 ( 13.235 2.173 4.601) 14.179 10.358 ( 9.299 6.338 -0.582) 11.268 10.662 ( 12.466 -2.422 6.675) 14.347 10.815 ( -0.043 -3.675 -8.570) 9.325 12.735 ( -1.592 -4.434 3.723) 6.004 13.114 ( -0.627 7.591 -2.366) 7.976 13.192 ( -5.687 -6.658 9.652) 13.032 13.850 ( -13.422 1.418 -27.248) 30.407 14.935 ( 1.336 5.747 0.638) 5.935 15.102 ( 5.056 5.446 0.696) 7.463 15.557 ( -0.655 -1.246 0.955) 1.701 15.723 ( 1.454 6.070 0.389) 6.254 18.456 ( 7.358 -5.872 15.926) 18.500 18.757 ( 4.728 1.557 -5.439) 7.373 21.014 ( -0.775 -1.679 -0.544) 1.928 21.071 ( -0.682 -0.409 -2.624) 2.742 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 7.288 4.526 2.239) 8.867 1.531 ( 8.092 3.184 11.325) 14.279 1.668 ( 3.682 3.116 -1.891) 5.181 1.746 ( 8.973 2.981 -0.280) 9.459 1.889 ( -5.595 0.555 -3.040) 6.391 2.092 ( -5.456 -1.965 -5.455) 7.962 2.259 ( 2.620 -4.411 2.340) 5.639 2.296 ( -0.769 -4.163 0.520) 4.265 2.345 ( -6.956 -1.225 0.103) 7.063 2.522 ( -8.325 -1.968 -2.962) 9.053 2.654 ( -3.313 0.783 4.645) 5.759 2.845 ( -9.732 -1.183 -0.890) 9.844 3.067 ( 2.996 -0.783 2.416) 3.928 3.127 ( 5.536 -2.565 -4.085) 7.343 3.315 ( 1.187 -4.093 -0.691) 4.318 3.489 ( 6.998 -1.380 -3.749) 8.058 3.566 ( -0.205 4.574 -0.357) 4.593 3.655 ( 6.598 6.772 3.135) 9.961 3.754 ( -3.237 -1.703 2.674) 4.531 3.813 ( -2.236 -2.294 1.219) 3.427 4.128 ( -5.611 4.334 -5.209) 8.798 4.390 ( -0.841 5.634 1.657) 5.932 4.612 ( 0.541 4.521 -3.015) 5.461 4.753 ( 1.905 -1.264 4.542) 5.085 5.033 ( -1.954 -1.376 0.186) 2.397 5.150 ( -6.588 -6.174 -1.730) 9.193 5.264 ( -5.895 -1.409 -1.586) 6.265 5.380 ( 2.116 -2.531 -0.910) 3.422 6.164 ( 2.610 1.372 0.892) 3.081 6.370 ( -2.293 5.380 -0.948) 5.925 6.433 ( -0.087 2.715 5.347) 5.998 6.612 ( -6.769 0.206 -4.287) 8.015 6.879 ( 1.627 -0.559 -3.910) 4.272 7.026 ( -0.366 5.620 -1.212) 5.761 7.566 ( -1.509 1.030 -0.255) 1.844 7.719 ( 2.185 -0.898 2.444) 3.400 8.162 ( 4.151 1.098 0.358) 4.309 8.312 ( 6.763 2.334 4.200) 8.296 8.776 ( -3.371 -2.387 1.276) 4.324 8.894 ( -9.831 -2.528 -4.740) 11.203 8.917 ( -9.380 -1.783 0.039) 9.548 9.108 ( 1.961 0.993 2.481) 3.314 9.561 ( 0.757 -4.862 -2.261) 5.415 9.665 ( -1.638 -1.244 6.102) 6.439 10.433 ( 5.985 5.729 -4.822) 9.586 10.472 ( 4.593 2.725 5.702) 7.813 10.826 ( 8.417 -6.709 -2.921) 11.153 10.891 ( 8.722 -4.075 3.028) 10.092 12.761 ( 1.393 0.445 1.440) 2.052 13.082 ( -0.287 10.296 -0.845) 10.335 13.182 ( -6.666 0.535 3.820) 7.701 13.444 ( -9.420 9.424 -9.105) 16.138 15.011 ( 5.764 3.442 1.135) 6.809 15.182 ( 2.295 3.640 2.882) 5.179 15.544 ( -1.660 1.129 -0.127) 2.012 15.728 ( -1.453 6.885 -0.032) 7.037 18.590 ( 6.451 -11.155 -7.139) 14.731 18.850 ( 3.043 -5.907 6.309) 9.163 20.997 ( -0.653 -1.255 -0.138) 1.422 21.037 ( -0.891 0.289 -1.027) 1.390 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 1.970 6.926 -6.327) 9.586 1.652 ( 1.247 4.014 6.233) 7.518 1.717 ( -2.728 -1.819 1.914) 3.797 1.830 ( 1.340 3.154 -2.160) 4.051 1.921 ( 6.384 2.073 1.045) 6.793 1.938 ( 0.507 -1.142 1.064) 1.640 2.243 ( -7.781 -2.358 0.455) 8.143 2.267 ( -6.633 0.987 -1.396) 6.850 2.289 ( -0.588 -2.914 1.288) 3.240 2.436 ( 2.669 -3.817 0.119) 4.659 2.647 ( -4.888 0.259 2.834) 5.656 2.689 ( -5.549 -1.725 -0.496) 5.832 3.157 ( 5.618 -0.175 0.910) 5.694 3.196 ( 6.623 -1.113 -4.278) 7.963 3.276 ( 0.573 -2.523 -4.374) 5.082 3.536 ( -1.316 0.193 -0.248) 1.353 3.575 ( 3.635 -7.466 -1.384) 8.419 3.665 ( -0.954 2.181 -1.587) 2.861 3.764 ( 5.777 0.665 -9.101) 10.800 3.916 ( 1.740 -2.915 6.899) 7.689 4.012 ( -2.163 6.382 -2.481) 7.180 4.401 ( 0.372 6.416 1.819) 6.679 4.627 ( 1.910 5.552 2.223) 6.278 4.795 ( -1.193 -2.177 2.949) 3.855 4.917 ( -8.687 -3.724 -0.661) 9.474 5.050 ( -5.226 -0.589 -1.510) 5.471 5.195 ( -1.705 -1.549 1.888) 2.979 5.410 ( 1.854 -2.862 -0.676) 3.476 6.215 ( 2.817 0.945 0.297) 2.986 6.316 ( -2.433 5.144 -1.832) 5.978 6.450 ( 0.045 -1.470 -0.624) 1.598 6.540 ( -4.569 4.961 4.215) 7.953 6.845 ( 0.044 2.952 -1.650) 3.382 7.013 ( 1.298 4.606 -1.728) 5.087 7.542 ( -0.268 1.926 -1.574) 2.502 7.775 ( 1.804 -0.996 0.144) 2.065 8.273 ( 7.278 -2.292 2.579) 8.054 8.473 ( 6.209 -0.111 4.716) 7.797 8.650 ( -9.820 -2.869 -2.667) 10.572 8.699 ( -8.828 -1.026 -1.881) 9.084 8.834 ( -1.663 0.024 0.111) 1.667 9.169 ( 2.265 -1.482 0.720) 2.801 9.555 ( 0.839 -4.152 -1.058) 4.366 9.634 ( -5.172 -1.068 0.171) 5.284 10.498 ( 5.528 3.348 -0.843) 6.518 10.566 ( 0.557 2.289 4.343) 4.941 10.928 ( 6.222 -7.986 -2.332) 10.389 11.012 ( 3.595 -3.580 1.082) 5.188 12.809 ( 2.913 10.831 -0.555) 11.230 13.039 ( -4.778 12.698 -4.443) 14.276 13.126 ( 2.785 2.799 3.140) 5.045 13.334 ( -8.241 8.382 8.604) 14.567 15.111 ( 4.469 7.185 0.784) 8.498 15.246 ( 0.430 1.696 4.406) 4.741 15.508 ( -0.632 5.497 -2.213) 5.959 15.685 ( -3.159 3.209 0.038) 4.503 18.607 ( 8.149 -13.066 -9.040) 17.856 18.903 ( -1.461 -13.441 -0.237) 13.522 20.996 ( 0.009 -0.398 1.065) 1.136 21.020 ( -0.852 0.537 0.565) 1.155 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 0.354 1.404 0.721) 1.617 1.631 ( -5.146 -0.304 -3.099) 6.015 1.741 ( 0.869 3.139 4.698) 5.716 1.839 ( 2.133 7.544 -1.341) 7.954 1.992 ( -0.204 2.665 -2.630) 3.749 2.039 ( 2.893 -1.381 6.630) 7.365 2.080 ( -0.037 2.598 -2.415) 3.547 2.201 ( -2.226 -2.316 0.764) 3.302 2.323 ( 2.725 -3.822 0.500) 4.721 2.459 ( -0.136 -3.877 -1.700) 4.236 2.542 ( -7.581 -0.087 -2.210) 7.897 2.699 ( 3.294 -1.856 4.664) 6.004 3.166 ( -0.227 -6.220 -7.044) 9.400 3.222 ( 0.365 2.167 -2.386) 3.244 3.324 ( 6.962 2.943 -1.499) 7.706 3.473 ( -4.686 -0.564 -1.393) 4.921 3.597 ( -1.959 4.455 -6.393) 8.035 3.622 ( 2.367 -8.285 1.929) 8.830 3.760 ( 2.267 -4.576 -4.958) 7.118 3.883 ( -4.767 -2.491 -4.427) 6.966 4.040 ( 4.828 7.173 3.151) 9.203 4.441 ( 0.767 5.808 2.670) 6.439 4.675 ( -2.415 3.836 3.861) 5.954 4.790 ( -2.814 -2.252 2.189) 4.217 4.833 ( 0.812 -3.142 -0.382) 3.268 5.033 ( 4.096 -0.590 1.076) 4.276 5.195 ( -1.195 -0.485 2.170) 2.525 5.414 ( 0.089 -2.799 -1.362) 3.114 6.238 ( 1.075 -1.849 -1.401) 2.557 6.301 ( 2.105 6.671 -0.592) 7.020 6.439 ( -6.696 3.553 0.276) 7.586 6.499 ( 1.615 2.838 2.329) 4.011 6.876 ( 2.096 3.906 2.259) 4.975 7.029 ( 2.238 2.632 -0.432) 3.482 7.521 ( 0.608 1.949 -2.492) 3.222 7.755 ( -1.578 0.019 -4.068) 4.363 8.410 ( -1.866 -3.859 5.723) 7.150 8.472 ( -5.941 -2.913 -0.931) 6.682 8.543 ( -0.232 -1.851 -1.095) 2.163 8.672 ( 7.183 -0.244 2.797) 7.712 8.825 ( -0.152 -0.138 0.309) 0.371 9.169 ( -1.704 -1.692 -1.926) 3.078 9.554 ( -1.502 -1.073 -3.148) 3.649 9.565 ( 1.104 -3.844 -0.521) 4.033 10.533 ( -1.663 -0.230 0.706) 1.821 10.622 ( 0.021 4.044 5.232) 6.612 10.952 ( 0.815 -7.731 -3.725) 8.620 11.036 ( -1.136 -2.432 -0.317) 2.702 12.805 ( -0.677 8.658 -2.317) 8.989 12.969 ( 1.415 8.015 -4.134) 9.128 13.251 ( -5.051 11.857 9.435) 15.972 13.337 ( 4.059 14.539 10.051) 18.135 15.168 ( 0.517 8.766 2.243) 9.064 15.250 ( -5.422 0.480 2.208) 5.875 15.503 ( 2.430 3.941 -1.024) 4.742 15.661 ( 0.787 2.784 0.185) 2.899 18.656 ( 7.837 -14.392 -5.717) 17.356 18.795 ( -5.227 -16.250 -8.894) 19.248 21.013 ( -0.673 0.081 2.102) 2.208 21.030 ( 0.884 0.500 1.660) 1.946 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -13.634 -1.469 -8.405) 16.084 1.572 ( -9.524 4.418 -1.043) 10.550 1.739 ( -0.819 0.883 2.911) 3.151 1.883 ( 3.233 7.929 1.486) 8.690 1.958 ( 1.776 1.949 4.429) 5.155 2.174 ( 7.091 0.178 -1.895) 7.342 2.211 ( 6.040 -0.896 -0.045) 6.106 2.236 ( 5.441 -1.142 7.193) 9.091 2.354 ( 3.889 -3.793 -4.450) 7.023 2.418 ( -3.779 -3.424 -0.882) 5.175 2.436 ( -0.781 -1.233 1.167) 1.868 2.832 ( 5.030 -2.938 4.733) 7.506 3.073 ( -0.641 -4.780 -7.861) 9.223 3.096 ( -5.095 1.888 -10.474) 11.799 3.306 ( -5.391 -3.937 -3.501) 7.538 3.363 ( -7.131 0.522 -7.013) 10.016 3.530 ( 4.789 -1.030 -1.699) 5.185 3.615 ( -8.936 3.848 -2.942) 10.164 3.738 ( 6.972 4.811 3.426) 9.138 3.879 ( 3.091 -2.699 1.051) 4.236 4.190 ( 6.043 4.951 8.085) 11.243 4.430 ( -3.547 5.440 -2.404) 6.925 4.676 ( -0.553 -0.758 3.734) 3.850 4.758 ( -4.096 -1.891 1.220) 4.673 4.940 ( 10.282 -3.254 0.885) 10.821 5.109 ( 3.048 -4.306 0.135) 5.277 5.247 ( 4.332 0.505 2.279) 4.921 5.387 ( -0.618 -1.996 -2.083) 2.951 6.193 ( -5.082 0.688 -3.890) 6.437 6.320 ( 3.655 2.273 -0.809) 4.379 6.397 ( -0.551 7.773 4.084) 8.797 6.588 ( 4.508 2.515 2.971) 5.956 6.919 ( 0.856 2.163 -0.360) 2.354 7.067 ( 1.669 0.155 0.684) 1.811 7.510 ( 1.360 1.638 -1.822) 2.802 7.668 ( -1.039 3.240 -4.935) 5.994 8.308 ( -10.698 -2.453 3.705) 11.584 8.384 ( -5.821 -1.276 1.680) 6.192 8.667 ( 8.882 -3.561 1.010) 9.622 8.816 ( 3.111 -1.863 1.339) 3.865 8.849 ( 5.887 -1.500 1.365) 6.227 9.086 ( -3.831 -0.559 -3.634) 5.310 9.493 ( -0.611 -1.133 -4.793) 4.963 9.594 ( 2.713 -4.028 -0.171) 4.859 10.484 ( -5.869 0.031 2.005) 6.202 10.674 ( -2.988 4.222 7.244) 8.901 10.878 ( -3.072 -7.251 -4.924) 9.287 10.968 ( -5.606 -1.061 -1.733) 5.963 12.765 ( -2.618 1.790 -0.848) 3.282 12.943 ( 1.796 3.571 -4.715) 6.181 13.221 ( -5.259 23.069 6.785) 24.614 13.669 ( 16.009 15.693 14.111) 26.489 15.107 ( -9.411 0.893 0.861) 9.492 15.230 ( -0.504 4.468 3.618) 5.771 15.527 ( 0.624 -2.382 0.514) 2.515 15.709 ( 3.759 8.424 0.246) 9.228 18.509 ( -11.285 -16.102 -14.772) 24.594 18.748 ( 7.517 -13.032 -3.499) 15.446 21.026 ( -0.478 -0.313 1.899) 1.983 21.074 ( 1.496 0.409 2.228) 2.715 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -17.411 2.620 -7.741) 19.234 1.281 ( -17.949 8.664 -5.120) 20.578 1.854 ( 3.875 0.356 10.064) 10.790 1.968 ( 3.482 7.586 -0.419) 8.358 2.083 ( 2.947 -4.381 6.651) 8.492 2.163 ( -1.669 -2.206 -1.222) 3.024 2.260 ( -19.069 1.044 0.881) 19.118 2.280 ( 2.512 -1.503 4.813) 5.633 2.317 ( 1.041 1.748 -3.764) 4.278 2.450 ( 9.725 -1.892 -6.110) 11.640 2.496 ( 7.805 -1.309 -1.545) 8.064 2.901 ( -1.096 -1.055 -12.702) 12.793 2.924 ( 1.358 -5.138 -1.307) 5.472 3.009 ( 3.254 -2.251 -3.143) 5.053 3.203 ( -1.790 -3.594 -4.363) 5.929 3.224 ( -1.170 -3.993 0.839) 4.245 3.478 ( -2.183 6.390 -4.205) 7.955 3.636 ( 7.968 1.800 0.747) 8.203 3.859 ( 1.986 5.499 1.728) 6.097 3.934 ( -0.502 4.228 4.937) 6.520 4.324 ( -0.092 4.803 -5.334) 7.178 4.409 ( 7.651 -0.436 7.964) 11.052 4.686 ( -5.923 -0.212 0.852) 5.988 4.743 ( 0.735 -1.989 6.523) 6.859 5.079 ( 2.740 -1.507 2.833) 4.220 5.193 ( 8.245 -6.305 -0.288) 10.384 5.299 ( -0.576 -2.424 -1.215) 2.772 5.380 ( 4.713 -1.531 -4.013) 6.377 6.077 ( -2.617 2.507 -2.441) 4.370 6.390 ( 3.855 -0.384 0.917) 3.981 6.449 ( 1.560 6.061 2.803) 6.858 6.693 ( 4.088 4.082 2.512) 6.300 6.875 ( -1.904 1.073 -5.313) 5.745 7.072 ( -1.279 -2.979 -1.246) 3.473 7.535 ( 2.273 1.124 0.966) 2.714 7.658 ( 4.593 8.961 -1.031) 10.122 8.201 ( -7.077 -2.330 3.084) 8.063 8.316 ( -6.465 0.101 3.386) 7.299 8.784 ( 5.798 -5.513 -1.185) 8.088 8.836 ( -1.047 -0.289 2.454) 2.684 8.970 ( 1.426 -3.635 -2.612) 4.697 9.024 ( 6.920 1.624 -2.066) 7.402 9.435 ( -1.049 -0.573 -2.039) 2.363 9.647 ( 3.672 -4.025 0.410) 5.463 10.394 ( -9.647 -0.600 3.961) 10.446 10.612 ( -12.788 3.088 2.875) 13.466 10.732 ( -11.102 -1.985 -5.111) 12.382 10.913 ( 3.024 -2.829 1.378) 4.365 12.694 ( -3.719 2.509 -0.642) 4.532 12.956 ( 4.114 0.042 -1.295) 4.313 13.253 ( -0.596 22.581 6.195) 23.423 14.108 ( 20.155 6.450 8.957) 22.980 14.969 ( -7.400 -0.568 0.118) 7.423 15.254 ( -3.006 4.580 3.791) 6.662 15.565 ( 3.848 3.614 2.565) 5.869 15.759 ( 0.323 4.955 2.940) 5.771 18.085 ( -17.130 -11.021 -19.360) 28.102 18.825 ( 5.037 -11.798 -1.332) 12.897 21.037 ( -0.179 -0.856 1.027) 1.349 21.121 ( 1.460 -0.106 1.710) 2.250 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -15.314 11.660 2.314) 19.386 0.946 ( -18.980 13.494 0.522) 23.294 1.698 ( -32.138 18.858 -1.486) 37.292 1.986 ( -4.866 -1.311 1.815) 5.356 2.074 ( 2.393 -1.264 -0.681) 2.791 2.177 ( 5.428 -2.881 10.117) 11.837 2.207 ( 0.775 -2.245 1.832) 2.999 2.304 ( 2.060 -3.358 0.372) 3.957 2.420 ( 5.398 -1.536 2.143) 6.007 2.504 ( 7.360 -3.167 -6.899) 10.573 2.598 ( 8.674 0.503 -3.871) 9.512 2.780 ( 0.368 -2.005 -5.930) 6.271 2.875 ( -0.448 -0.211 -4.060) 4.090 3.057 ( 3.937 -5.120 -2.958) 7.104 3.167 ( 1.463 -2.133 -4.683) 5.350 3.228 ( 0.160 1.370 1.897) 2.346 3.444 ( 1.070 -0.531 -2.908) 3.143 3.798 ( 0.926 3.159 2.531) 4.152 3.885 ( 2.425 5.298 6.269) 8.559 3.947 ( 4.322 1.672 -3.716) 5.940 4.331 ( 5.096 8.280 -3.436) 10.312 4.570 ( -3.665 -1.092 1.306) 4.041 4.611 ( 3.275 -1.698 2.737) 4.594 4.822 ( -2.156 -3.193 7.582) 8.504 5.144 ( -0.154 1.827 4.761) 5.102 5.239 ( -2.390 0.699 -2.704) 3.676 5.312 ( 5.317 -4.466 -0.126) 6.945 5.392 ( 5.271 -9.969 -7.197) 13.378 6.089 ( 4.160 1.311 2.199) 4.885 6.452 ( 3.314 -2.223 -0.269) 4.000 6.502 ( 2.746 4.735 0.143) 5.475 6.702 ( -3.939 0.118 -3.269) 5.120 6.831 ( 2.394 5.430 -0.081) 5.934 6.996 ( -3.791 -3.386 -3.882) 6.396 7.590 ( 2.123 -0.000 1.747) 2.750 7.778 ( 8.277 12.925 2.144) 15.497 8.152 ( -1.747 0.550 0.937) 2.058 8.258 ( -4.942 2.118 3.376) 6.348 8.833 ( 1.293 -9.679 0.124) 9.766 8.844 ( -0.697 0.520 1.480) 1.717 8.967 ( 4.517 0.711 -1.989) 4.986 9.130 ( 6.181 0.155 -2.357) 6.617 9.448 ( 3.204 1.309 1.977) 3.986 9.720 ( 3.517 -3.171 2.640) 5.422 10.242 ( -16.436 -7.772 3.872) 18.589 10.378 ( -16.362 1.459 -2.098) 16.560 10.450 ( -15.808 4.593 -1.870) 16.568 11.017 ( 5.876 -3.549 1.295) 6.985 12.676 ( 0.480 3.527 2.485) 4.341 13.026 ( 4.273 -1.105 0.757) 4.478 13.310 ( -1.735 13.709 5.509) 14.876 14.444 ( 16.005 -11.678 -2.256) 19.941 14.896 ( -0.175 8.193 -1.592) 8.348 15.192 ( -4.833 0.888 -2.732) 5.623 15.672 ( 3.249 16.222 -2.492) 16.731 15.896 ( 6.830 -3.585 19.869) 21.314 17.541 ( -22.811 -0.507 -18.293) 29.245 18.875 ( 2.077 -10.500 -0.116) 10.704 21.042 ( 0.028 -1.183 0.032) 1.184 21.155 ( 1.103 -0.826 0.464) 1.453 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -7.082 20.983 13.266) 25.815 0.733 ( -14.831 18.374 11.490) 26.260 1.203 ( -29.650 27.587 12.341) 42.338 1.917 ( -3.203 0.461 -0.939) 3.369 2.060 ( -0.478 1.826 -4.176) 4.583 2.253 ( 0.511 -1.350 3.224) 3.533 2.325 ( 2.758 -7.018 -6.538) 9.980 2.376 ( 2.273 -5.768 -4.712) 7.788 2.446 ( 6.437 -1.870 6.205) 9.134 2.549 ( 5.723 -0.347 -5.806) 8.160 2.692 ( 3.459 -3.764 -1.015) 5.212 2.786 ( 1.250 2.059 0.386) 2.439 2.894 ( 6.039 0.048 6.222) 8.671 3.081 ( 3.972 -2.883 -1.805) 5.229 3.152 ( 2.058 -1.362 1.789) 3.048 3.319 ( 2.811 1.908 8.135) 8.816 3.444 ( 2.984 0.305 -1.541) 3.372 3.713 ( -8.453 10.459 0.732) 13.468 3.854 ( -2.941 -2.846 -7.802) 8.810 4.147 ( 10.134 -1.068 2.002) 10.385 4.300 ( -2.593 -0.589 -6.116) 6.669 4.468 ( -3.884 2.940 -3.863) 6.217 4.754 ( 8.458 -1.345 0.997) 8.623 4.830 ( -3.952 -3.730 5.314) 7.601 5.102 ( -4.678 1.293 -3.579) 6.031 5.164 ( -4.577 -0.119 -1.765) 4.907 5.325 ( -0.040 -1.509 -0.793) 1.705 5.511 ( 8.979 -8.384 2.634) 12.564 6.220 ( 5.042 -0.174 4.749) 6.928 6.462 ( 0.913 -4.974 -6.504) 8.239 6.535 ( 1.271 6.432 2.591) 7.050 6.634 ( 1.879 -0.975 -4.189) 4.694 6.804 ( -4.504 -1.097 -2.208) 5.135 6.950 ( 0.391 4.291 2.253) 4.862 7.628 ( 0.601 -0.527 0.855) 1.171 7.889 ( 1.986 1.499 -1.310) 2.811 8.209 ( 4.203 6.356 -3.955) 8.585 8.255 ( 9.675 14.232 -1.473) 17.272 8.859 ( 0.720 -11.250 3.203) 11.719 8.878 ( 1.826 3.066 7.641) 8.433 9.047 ( 7.534 0.531 -2.416) 7.929 9.188 ( 1.288 -1.620 2.908) 3.569 9.527 ( 5.325 1.395 -5.123) 7.519 9.839 ( 1.480 -0.112 10.646) 10.749 9.892 ( -29.196 -13.901 1.931) 32.394 10.087 ( -16.601 2.022 -0.340) 16.727 10.233 ( -9.315 6.642 -1.429) 11.529 11.092 ( 3.393 -3.913 -2.136) 5.602 12.730 ( 1.115 3.423 1.613) 3.945 13.089 ( 2.173 -1.105 0.421) 2.474 13.277 ( -6.737 -0.151 -0.360) 6.749 14.598 ( 9.511 -21.574 -5.067) 24.116 14.921 ( 10.207 12.218 -11.928) 19.893 15.117 ( -0.471 4.407 4.489) 6.308 15.641 ( -3.617 3.581 -0.201) 5.094 16.209 ( 5.401 -7.021 -4.745) 10.049 17.110 ( -12.656 21.215 11.651) 27.312 18.889 ( -1.440 -6.977 1.382) 7.257 21.041 ( 0.209 -1.293 -0.573) 1.430 21.165 ( 0.571 -1.379 -1.031) 1.814 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -6.701 18.524 5.788) 20.531 1.079 ( -6.320 17.778 9.359) 21.061 1.798 ( 1.655 16.252 14.400) 21.776 1.865 ( -0.730 1.636 -4.200) 4.567 1.967 ( -3.069 -6.662 -11.661) 13.776 2.068 ( 1.276 4.309 -4.572) 6.411 2.234 ( 0.298 -0.894 -1.013) 1.384 2.319 ( -0.600 -2.655 -1.738) 3.230 2.448 ( -0.940 -5.700 -1.003) 5.863 2.544 ( 3.895 -2.424 -6.187) 7.702 2.647 ( -0.477 -2.224 0.242) 2.287 2.731 ( 2.543 -4.688 0.184) 5.337 3.081 ( 6.493 -8.193 8.752) 13.634 3.156 ( -2.049 -0.773 14.633) 14.796 3.314 ( 6.439 9.967 1.238) 11.930 3.437 ( 1.413 -6.254 -1.055) 6.498 3.510 ( -3.886 5.446 8.690) 10.967 3.685 ( -2.189 6.672 -0.887) 7.078 3.860 ( -1.400 10.553 -4.069) 11.397 4.096 ( -3.801 -2.408 -6.285) 7.729 4.247 ( 2.863 -1.961 2.255) 4.138 4.428 ( 0.071 1.599 -4.045) 4.351 4.655 ( -3.845 -2.581 -4.355) 6.357 4.817 ( 0.294 -3.155 -0.585) 3.222 5.065 ( 1.679 -3.015 0.712) 3.524 5.156 ( 1.646 4.284 -0.458) 4.612 5.266 ( 0.617 -4.564 -0.628) 4.649 5.509 ( 0.102 -3.855 -3.010) 4.892 6.246 ( -2.633 -0.289 0.304) 2.667 6.391 ( 2.068 -3.130 1.077) 3.903 6.526 ( 0.232 -2.906 -3.688) 4.701 6.673 ( 4.881 -2.193 -2.274) 5.814 6.830 ( -0.473 7.884 5.401) 9.568 7.086 ( -0.985 6.923 -2.153) 7.317 7.614 ( -1.202 -1.092 0.768) 1.796 7.792 ( -0.847 -2.947 -1.310) 3.334 8.213 ( -1.163 2.352 -1.770) 3.165 8.529 ( 2.739 2.272 -8.697) 9.397 8.743 ( 0.157 -2.328 1.830) 2.965 9.029 ( -11.322 -0.698 2.625) 11.643 9.105 ( 3.118 -2.378 3.482) 5.245 9.313 ( 1.660 2.156 -1.674) 3.195 9.469 ( 12.639 2.540 -1.926) 13.035 9.610 ( -6.434 1.766 11.207) 13.043 9.831 ( -10.070 -2.810 -2.849) 10.836 10.036 ( 1.723 3.502 7.144) 8.141 10.409 ( 2.836 10.787 4.598) 12.064 10.983 ( -0.098 -4.873 -4.203) 6.436 12.773 ( -3.607 4.098 -2.800) 6.136 13.030 ( -5.533 -4.000 -1.927) 7.094 13.124 ( 1.420 -0.994 3.196) 3.635 14.143 ( 6.312 -25.405 -15.356) 30.349 15.061 ( 4.086 5.981 -4.715) 8.643 15.294 ( 0.283 4.821 -1.536) 5.067 15.488 ( -6.357 -1.227 5.458) 8.468 15.897 ( -1.923 -6.497 -13.747) 15.326 17.911 ( 4.751 24.949 23.064) 34.307 18.882 ( 0.059 0.763 1.998) 2.139 21.002 ( 0.094 -1.824 -0.889) 2.031 21.105 ( 0.051 -2.978 -2.327) 3.780 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 4.468 11.686 8.313) 15.021 1.163 ( -0.635 12.425 13.642) 18.463 1.670 ( -1.804 -1.164 -13.241) 13.414 1.914 ( 0.215 -4.416 -0.439) 4.443 1.951 ( 4.052 0.546 -3.120) 5.143 2.065 ( 1.459 1.967 -0.722) 2.553 2.278 ( -1.137 0.013 -0.742) 1.358 2.282 ( -0.634 3.053 3.960) 5.040 2.395 ( -0.956 -0.118 -0.766) 1.231 2.565 ( 3.324 -4.433 -1.926) 5.866 2.658 ( -0.974 -3.842 4.517) 6.009 2.740 ( 0.306 -1.512 -1.380) 2.070 3.109 ( -4.059 -3.250 0.754) 5.254 3.237 ( -3.555 4.251 5.852) 8.060 3.399 ( -4.944 3.164 6.870) 9.037 3.477 ( -5.550 2.962 9.888) 11.720 3.601 ( 3.891 1.239 9.369) 10.220 3.703 ( 6.080 4.502 -3.469) 8.323 3.769 ( -1.804 5.962 -9.695) 11.523 3.937 ( -6.081 -0.843 -4.227) 7.454 4.325 ( 3.130 -2.830 3.001) 5.178 4.388 ( 0.468 -1.252 -5.966) 6.114 4.584 ( 0.600 1.338 -1.167) 1.874 4.784 ( -0.974 1.927 -2.282) 3.141 5.083 ( -0.685 -2.212 -0.685) 2.415 5.180 ( 1.972 -2.645 -0.677) 3.368 5.271 ( -1.423 -3.691 -1.045) 4.091 5.418 ( -2.980 -3.127 -3.894) 5.816 6.189 ( -4.225 1.759 0.860) 4.656 6.414 ( 0.898 -2.536 -0.391) 2.719 6.518 ( 2.573 1.480 -2.551) 3.914 6.742 ( 5.888 -4.949 -3.049) 8.274 6.894 ( -1.008 6.346 5.797) 8.654 7.040 ( -0.129 4.602 -1.966) 5.005 7.598 ( -1.694 -0.515 0.933) 2.001 7.762 ( -0.676 0.314 -2.294) 2.412 8.191 ( 0.880 4.000 -0.645) 4.146 8.409 ( -4.650 9.643 -7.855) 13.279 8.740 ( -5.504 -6.781 7.047) 11.222 8.936 ( -4.426 -1.713 5.039) 6.922 9.122 ( -6.116 -0.666 -0.405) 6.165 9.306 ( 3.432 -2.722 4.370) 6.188 9.452 ( -6.007 -0.233 -7.066) 9.277 9.612 ( -9.402 -1.665 2.473) 9.864 9.950 ( 19.706 1.358 6.931) 20.933 10.225 ( 12.662 0.791 2.587) 12.947 10.528 ( 3.425 8.626 5.692) 10.887 10.896 ( -2.913 -2.594 -6.438) 7.527 12.704 ( -2.090 2.095 0.093) 2.961 13.003 ( 1.153 -6.477 0.314) 6.586 13.183 ( 5.190 2.948 0.191) 5.972 14.037 ( 5.519 -16.776 -20.499) 27.057 15.106 ( 5.404 4.107 -1.718) 7.002 15.212 ( -5.020 7.373 -5.354) 10.403 15.507 ( 0.558 -0.531 3.815) 3.892 15.761 ( 1.569 -1.816 -5.942) 6.408 18.223 ( -0.749 12.894 23.738) 27.024 18.845 ( -4.637 1.729 -0.827) 5.018 20.992 ( -0.102 -1.902 -0.953) 2.130 21.077 ( 0.311 -2.476 -2.931) 3.850 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 5.294 2.963 14.834) 16.027 1.374 ( 11.127 7.563 10.702) 17.191 1.590 ( 4.899 0.729 -4.766) 6.873 1.872 ( -0.929 -0.561 -4.507) 4.636 1.995 ( 5.170 -0.720 -3.804) 6.459 2.083 ( 0.322 -4.178 1.455) 4.436 2.139 ( -4.983 -3.329 -7.651) 9.719 2.264 ( -1.323 0.621 -1.201) 1.891 2.429 ( -1.602 0.507 -0.193) 1.691 2.571 ( 0.012 -3.651 -1.512) 3.952 2.661 ( -4.263 -1.555 1.191) 4.691 2.764 ( -0.284 -8.629 4.038) 9.531 3.114 ( -1.111 2.962 1.061) 3.337 3.192 ( -6.071 8.637 2.562) 10.863 3.295 ( -8.909 2.185 3.541) 9.833 3.485 ( -5.871 -0.013 8.509) 10.338 3.639 ( 2.749 5.974 -3.655) 7.524 3.692 ( 1.083 4.062 -2.041) 4.674 3.795 ( -3.708 -1.682 -0.957) 4.182 3.864 ( 4.441 6.120 1.328) 7.678 4.292 ( -3.243 -1.746 -5.887) 6.944 4.406 ( 2.931 -1.212 2.371) 3.960 4.628 ( 2.318 0.954 1.533) 2.938 4.765 ( 1.119 5.653 -0.281) 5.769 5.041 ( -2.593 -0.908 -0.543) 2.801 5.131 ( -5.408 -7.940 -3.637) 10.273 5.246 ( 1.238 -2.820 0.350) 3.100 5.346 ( -2.725 -4.838 -3.793) 6.724 6.156 ( -0.861 1.489 0.844) 1.916 6.427 ( 0.365 -0.953 0.718) 1.248 6.534 ( 2.386 6.396 -1.791) 7.058 6.744 ( -0.953 -2.322 -4.063) 4.775 6.906 ( 0.284 6.076 -0.243) 6.087 7.076 ( 2.948 1.674 1.821) 3.848 7.588 ( -1.354 0.277 1.732) 2.215 7.717 ( -1.113 1.866 -2.400) 3.237 8.223 ( 1.333 4.507 -0.368) 4.714 8.288 ( -2.172 6.446 0.850) 6.855 8.733 ( -3.826 -5.323 4.424) 7.908 8.928 ( -4.337 -5.789 2.247) 7.574 8.995 ( -7.215 -1.065 -0.606) 7.318 9.241 ( -9.873 4.312 -1.283) 10.850 9.431 ( 4.274 -6.462 -0.859) 7.795 9.560 ( -1.534 -2.410 5.487) 6.187 10.292 ( 14.587 -0.315 3.868) 15.095 10.456 ( 11.923 0.520 0.833) 11.964 10.634 ( 3.357 1.499 3.298) 4.939 10.772 ( -1.705 0.389 -6.514) 6.744 12.714 ( 1.571 1.986 2.413) 3.498 13.007 ( -2.949 -7.273 3.133) 8.450 13.341 ( 15.162 11.617 -2.389) 19.249 13.868 ( 1.924 -0.061 -19.764) 19.858 15.073 ( -3.835 6.007 -2.430) 7.530 15.185 ( 4.635 3.349 0.249) 5.724 15.548 ( -0.049 0.909 2.761) 2.907 15.811 ( 6.806 1.235 -0.823) 6.966 18.379 ( -6.488 -0.969 13.286) 14.817 18.751 ( -5.208 -2.201 -0.389) 5.667 20.980 ( -0.052 -1.510 -0.840) 1.728 21.051 ( 0.329 -1.528 -2.420) 2.881 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 4.471 -0.913 12.664) 13.461 1.644 ( 6.287 5.060 5.222) 9.612 1.737 ( 10.133 2.844 7.848) 13.129 1.809 ( 1.606 3.864 -5.662) 7.040 1.925 ( -2.309 3.292 -6.398) 7.557 2.021 ( -3.859 -5.754 -4.815) 8.437 2.153 ( 2.257 -6.435 1.564) 6.997 2.226 ( 1.373 -0.523 -3.466) 3.765 2.342 ( -4.481 0.871 -1.969) 4.971 2.504 ( -5.619 -0.053 -2.336) 6.085 2.610 ( -2.525 -4.433 2.453) 5.661 2.752 ( -5.411 -8.447 0.630) 10.052 3.075 ( 0.746 0.181 0.509) 0.921 3.107 ( -2.760 2.883 -1.059) 4.129 3.294 ( -1.730 1.792 3.054) 3.941 3.476 ( 1.227 0.320 -4.025) 4.220 3.645 ( -3.892 2.340 -3.839) 5.947 3.708 ( -1.187 -0.302 -0.583) 1.356 3.742 ( 0.284 0.807 10.153) 10.189 3.927 ( 3.095 11.425 -1.484) 11.929 4.178 ( -3.820 1.360 -3.197) 5.164 4.471 ( 3.479 1.656 0.008) 3.853 4.662 ( 1.005 -0.057 0.720) 1.237 4.793 ( -0.191 5.384 1.675) 5.641 4.977 ( -7.063 -4.071 -1.836) 8.356 5.038 ( -0.282 -4.119 1.219) 4.305 5.207 ( -5.024 -4.285 -3.201) 7.338 5.303 ( 1.773 -5.014 -0.018) 5.318 6.170 ( 1.365 -0.229 0.310) 1.418 6.424 ( -1.479 -3.078 -0.223) 3.422 6.538 ( 0.475 9.871 -3.077) 10.350 6.691 ( -1.577 7.193 1.842) 7.591 6.906 ( 2.435 3.275 -3.740) 5.536 7.124 ( 0.904 3.623 0.573) 3.778 7.587 ( -1.078 1.119 1.272) 2.008 7.703 ( 1.430 -0.384 0.211) 1.495 8.207 ( 0.206 3.195 -0.497) 3.240 8.360 ( 3.191 2.359 4.861) 6.274 8.694 ( -6.073 -6.018 1.472) 8.676 8.810 ( -7.792 -6.042 -3.546) 10.479 8.897 ( -4.782 0.656 0.619) 4.866 9.142 ( -3.057 2.215 1.087) 3.929 9.445 ( 1.509 -6.023 -1.417) 6.369 9.625 ( -1.601 -2.883 5.072) 6.050 10.510 ( 7.480 -0.444 3.789) 8.397 10.563 ( 3.589 6.117 -2.947) 7.680 10.696 ( 3.970 -4.613 -1.619) 6.298 10.785 ( 6.734 -5.216 0.605) 8.540 12.809 ( 5.268 3.541 4.479) 7.769 13.007 ( -0.931 -5.162 2.812) 5.952 13.559 ( 12.106 23.698 -2.078) 26.692 13.668 ( -2.150 12.517 -11.412) 17.075 15.070 ( 3.324 2.272 2.085) 4.534 15.260 ( 3.621 2.665 1.279) 4.674 15.578 ( 0.205 4.032 2.688) 4.850 15.885 ( 2.239 6.592 -1.075) 7.044 18.338 ( -4.473 -12.488 -1.989) 13.413 18.667 ( -7.511 -11.987 2.062) 14.296 20.976 ( 0.446 -0.658 -0.113) 0.803 21.034 ( -0.055 -0.622 -1.071) 1.240 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -1.311 -0.574 5.742) 5.918 1.695 ( -4.581 4.645 -2.917) 7.147 1.781 ( 3.204 5.959 1.616) 6.956 1.885 ( 3.012 1.128 0.034) 3.217 1.917 ( -0.427 0.444 0.025) 0.616 1.974 ( 8.946 3.766 0.009) 9.706 2.155 ( -5.451 -5.127 2.234) 7.810 2.221 ( 3.666 -2.717 -1.204) 4.719 2.305 ( -4.130 2.065 -0.332) 4.629 2.399 ( -0.786 -0.241 -2.870) 2.985 2.608 ( -3.501 -3.801 2.472) 5.728 2.644 ( -4.901 -3.278 -0.408) 5.910 3.088 ( 2.273 -5.021 -3.871) 6.735 3.167 ( 6.674 -1.826 2.898) 7.501 3.296 ( 1.737 2.448 -0.148) 3.006 3.437 ( -1.096 -5.213 -3.428) 6.335 3.510 ( -5.121 -1.962 -3.410) 6.458 3.706 ( 3.216 2.244 -5.391) 6.666 3.792 ( -4.036 -3.205 4.054) 6.557 3.935 ( -1.572 8.934 -0.643) 9.094 4.118 ( -1.141 4.671 0.135) 4.811 4.524 ( 3.840 3.870 -1.070) 5.556 4.691 ( 1.181 -0.322 1.152) 1.681 4.800 ( -0.746 3.879 1.702) 4.301 4.848 ( -5.225 -2.048 -1.914) 5.929 5.037 ( -2.944 -0.648 0.932) 3.155 5.139 ( -1.158 -4.072 1.674) 4.552 5.331 ( 1.151 -5.017 -0.082) 5.148 6.193 ( 0.915 -1.665 -0.058) 1.900 6.391 ( -0.341 -2.830 -0.947) 3.004 6.509 ( 0.687 10.922 -2.060) 11.136 6.698 ( -3.900 10.461 3.934) 11.837 6.922 ( 4.703 4.279 -2.867) 6.975 7.122 ( -0.420 5.490 -1.048) 5.605 7.580 ( -0.808 1.673 -0.010) 1.858 7.747 ( 2.086 -1.780 0.653) 2.819 8.236 ( 3.341 -1.171 0.711) 3.611 8.447 ( -0.547 -2.724 4.111) 4.961 8.578 ( -6.425 -4.221 -0.897) 7.740 8.662 ( -5.247 -2.518 -2.665) 6.401 8.853 ( -1.962 2.118 0.712) 2.974 9.136 ( 0.721 -1.758 -0.118) 1.904 9.458 ( 1.009 -4.971 -0.420) 5.090 9.594 ( -4.519 -3.041 -0.120) 5.448 10.567 ( 2.210 2.753 -4.020) 5.350 10.636 ( 1.307 4.245 5.645) 7.183 10.747 ( 5.065 -8.631 -2.243) 10.256 10.899 ( 4.245 -7.161 2.345) 8.648 12.944 ( 4.194 2.868 2.154) 5.519 13.021 ( -0.796 -3.238 0.296) 3.348 13.512 ( -0.309 24.178 0.869) 24.196 13.767 ( 5.594 31.762 5.448) 32.708 15.171 ( 2.958 -2.515 3.539) 5.254 15.330 ( 3.215 5.986 1.028) 6.872 15.633 ( 4.495 8.413 1.567) 9.667 15.830 ( -6.530 10.103 -2.546) 12.296 18.257 ( 3.122 -20.713 -8.326) 22.540 18.534 ( -8.736 -22.653 -2.654) 24.424 20.993 ( 0.720 0.050 1.203) 1.403 21.027 ( -0.302 0.084 0.408) 0.515 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -4.870 -0.549 -3.133) 5.817 1.702 ( -2.732 6.766 -0.659) 7.327 1.813 ( 0.285 3.530 1.981) 4.058 1.971 ( 4.982 4.582 1.609) 6.957 2.011 ( 4.444 -1.308 8.317) 9.520 2.048 ( -1.627 0.735 -1.911) 2.615 2.110 ( -0.365 0.333 1.294) 1.385 2.174 ( -4.004 1.919 -0.687) 4.493 2.261 ( 1.283 -1.174 -1.245) 2.139 2.390 ( 2.953 -2.925 -4.924) 6.444 2.532 ( -7.123 -1.437 -1.639) 7.449 2.640 ( 2.886 -3.510 3.524) 5.750 3.050 ( 1.185 -4.968 -7.220) 8.844 3.263 ( -4.824 -0.151 2.428) 5.403 3.320 ( -0.991 -5.484 -4.717) 7.301 3.389 ( 6.300 -5.454 0.420) 8.344 3.495 ( 2.409 -3.874 -1.439) 4.784 3.646 ( -2.788 2.704 -1.628) 4.211 3.733 ( 0.091 -3.044 -4.920) 5.786 3.906 ( -0.096 8.682 -1.078) 8.749 4.155 ( 2.478 5.126 3.900) 6.901 4.569 ( 2.797 4.425 0.032) 5.235 4.716 ( 0.147 -1.431 0.929) 1.713 4.769 ( -1.610 2.028 -1.463) 2.974 4.784 ( -3.467 -0.339 -0.389) 3.505 5.035 ( 1.740 0.919 0.534) 2.039 5.161 ( 0.012 -3.167 4.074) 5.160 5.333 ( -0.299 -5.214 -0.535) 5.250 6.203 ( 0.742 -1.169 0.117) 1.390 6.406 ( 0.996 -0.213 0.394) 1.092 6.516 ( 1.666 8.744 -0.271) 8.905 6.662 ( -3.178 11.584 2.406) 12.250 6.968 ( 2.496 4.648 -1.112) 5.392 7.104 ( 0.551 4.461 -1.762) 4.828 7.563 ( -0.508 2.019 -0.912) 2.273 7.754 ( -0.408 -0.228 -1.623) 1.689 8.309 ( -0.213 -5.670 3.016) 6.426 8.402 ( -4.055 -4.226 0.789) 5.910 8.500 ( -1.152 -2.022 -1.718) 2.893 8.650 ( 4.105 -2.072 0.904) 4.686 8.842 ( -0.684 2.125 0.814) 2.376 9.129 ( -0.792 -2.114 -1.812) 2.894 9.466 ( 0.757 -5.463 -0.397) 5.529 9.520 ( -1.589 -2.613 -3.304) 4.502 10.534 ( -1.263 -0.301 -2.647) 2.949 10.683 ( 0.820 -0.937 -0.116) 1.250 10.797 ( 0.077 -3.896 2.743) 4.766 10.961 ( -0.390 -4.445 2.763) 5.248 12.923 ( -3.714 3.846 -3.630) 6.462 12.999 ( -1.043 -1.060 -0.799) 1.688 13.710 ( 8.598 25.801 17.845) 32.528 13.876 ( -1.835 38.983 8.208) 39.880 15.205 ( -3.993 -4.865 3.505) 7.204 15.364 ( -0.548 8.676 0.398) 8.702 15.620 ( -7.904 8.487 -5.984) 13.050 15.789 ( 7.930 10.069 1.714) 12.930 18.261 ( 6.430 -24.191 -7.881) 26.242 18.341 ( -3.704 -28.314 -10.314) 30.361 21.016 ( -0.651 0.256 2.123) 2.235 21.040 ( 0.866 0.388 1.579) 1.843 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -10.424 1.960 -5.372) 11.889 1.663 ( -4.371 4.438 0.857) 6.287 1.783 ( -3.624 3.742 0.516) 5.234 1.960 ( -5.536 1.830 1.944) 6.146 2.024 ( -2.899 0.565 2.324) 3.758 2.092 ( 4.262 -3.550 0.156) 5.549 2.196 ( 0.419 -1.901 2.995) 3.572 2.267 ( 10.901 1.763 0.058) 11.043 2.308 ( 8.298 0.301 1.855) 8.508 2.393 ( 5.824 -1.777 -5.736) 8.365 2.421 ( -5.204 1.646 2.454) 5.984 2.738 ( 2.833 -5.273 3.647) 7.010 2.986 ( 1.905 -3.709 -8.039) 9.056 3.138 ( -6.115 1.231 -5.479) 8.303 3.212 ( -3.631 -4.886 -3.327) 6.937 3.290 ( -10.801 -4.880 -10.874) 16.084 3.550 ( 7.991 2.019 1.356) 8.353 3.719 ( 1.927 -0.405 -0.029) 1.969 3.802 ( 7.874 1.936 9.472) 12.469 3.884 ( 2.309 7.120 -5.760) 9.444 4.251 ( 2.096 1.927 6.181) 6.805 4.545 ( -7.217 4.019 -3.263) 8.882 4.678 ( -0.818 0.343 -0.115) 0.894 4.720 ( -0.747 -0.076 0.318) 0.815 4.868 ( 10.390 -2.662 0.802) 10.755 5.048 ( 0.144 -2.237 -0.642) 2.332 5.234 ( 2.242 -1.643 2.949) 4.052 5.321 ( -0.281 -4.586 0.152) 4.597 6.205 ( -1.965 0.742 0.114) 2.104 6.389 ( 0.005 3.546 -2.947) 4.611 6.557 ( 1.811 6.672 2.128) 7.233 6.698 ( 1.887 9.456 5.255) 10.982 6.956 ( -1.009 1.466 -3.120) 3.592 7.095 ( 0.833 2.566 -2.578) 3.732 7.550 ( 0.090 2.084 -0.462) 2.136 7.736 ( 1.277 2.927 -0.527) 3.236 8.242 ( -6.751 -3.605 0.878) 7.703 8.364 ( -3.760 -0.546 1.546) 4.102 8.573 ( 7.562 -5.572 0.453) 9.404 8.743 ( 6.283 -5.601 0.116) 8.418 8.846 ( -0.210 1.719 1.089) 2.046 9.080 ( -0.918 0.105 -2.976) 3.116 9.453 ( -0.098 -3.628 -3.703) 5.185 9.494 ( 1.666 -4.879 -0.690) 5.202 10.475 ( -3.452 -1.233 -1.281) 3.883 10.676 ( 0.780 -8.453 -3.059) 9.023 10.794 ( -6.079 3.752 5.318) 8.906 10.945 ( -4.930 -0.826 2.194) 5.459 12.833 ( -4.284 4.532 -0.126) 6.238 12.963 ( -1.395 0.486 -0.959) 1.762 13.888 ( -8.729 38.298 9.113) 40.324 14.073 ( 7.654 24.402 18.267) 31.429 15.106 ( -9.824 -1.458 0.667) 9.954 15.331 ( -2.919 4.857 1.030) 5.760 15.502 ( 0.093 0.503 -1.760) 1.833 15.917 ( 4.653 11.766 0.523) 12.663 18.073 ( -4.910 -26.219 -15.798) 31.002 18.388 ( 13.222 -22.370 -7.223) 26.970 21.023 ( -1.167 0.153 1.993) 2.314 21.079 ( 0.992 -0.036 2.074) 2.299 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -10.963 9.829 -2.242) 14.893 1.463 ( -15.362 9.358 -1.715) 18.069 1.828 ( 0.434 -2.611 7.524) 7.976 1.953 ( 1.199 -5.931 1.855) 6.329 2.039 ( 1.625 -1.471 1.403) 2.603 2.139 ( -3.023 -1.520 -0.226) 3.391 2.192 ( 3.500 -2.593 3.698) 5.714 2.367 ( 1.125 3.568 0.071) 3.742 2.402 ( 3.661 -0.440 -3.565) 5.129 2.427 ( -4.540 5.176 0.183) 6.888 2.473 ( 8.454 -0.763 -1.540) 8.627 2.793 ( -1.166 -4.959 3.256) 6.046 2.906 ( 3.218 -2.346 -15.690) 16.187 2.980 ( -1.677 2.497 -5.745) 6.484 3.132 ( 2.520 -2.792 -0.943) 3.878 3.172 ( 3.001 -0.734 -2.341) 3.876 3.654 ( -0.810 8.061 -1.416) 8.224 3.710 ( 3.731 7.136 0.461) 8.065 3.878 ( 1.503 -1.990 -1.470) 2.895 4.008 ( 1.542 1.401 7.885) 8.156 4.351 ( 2.966 -3.296 2.857) 5.275 4.415 ( -0.995 0.424 -0.589) 1.231 4.679 ( -1.943 -1.941 2.549) 3.747 4.722 ( 2.460 3.114 -1.843) 4.375 5.039 ( 3.277 -3.067 1.581) 4.759 5.063 ( 7.143 -4.893 -0.559) 8.676 5.252 ( -0.881 -2.301 -0.029) 2.464 5.341 ( 1.719 -2.461 -0.680) 3.078 6.144 ( -2.766 4.050 -1.378) 5.094 6.379 ( 1.684 0.334 -2.029) 2.658 6.606 ( 0.635 7.062 2.532) 7.530 6.788 ( -0.378 4.568 4.032) 6.104 6.883 ( -0.690 0.839 -3.826) 3.977 7.062 ( -0.079 2.066 -3.910) 4.423 7.559 ( 0.810 1.076 0.729) 1.532 7.799 ( 3.277 3.131 3.330) 5.624 8.182 ( 0.904 1.996 -0.804) 2.334 8.322 ( -4.622 0.564 3.158) 5.627 8.649 ( 1.900 -7.519 -1.673) 7.934 8.840 ( 2.315 -3.003 2.274) 4.421 8.871 ( 4.725 -1.827 -1.118) 5.188 9.075 ( 5.191 2.916 -2.967) 6.652 9.414 ( 0.279 -1.698 -2.281) 2.858 9.535 ( 2.363 -6.704 2.194) 7.439 10.371 ( -8.236 -1.490 -1.709) 8.543 10.609 ( -7.114 -5.794 -1.809) 9.351 10.731 ( -8.495 3.850 2.602) 9.682 10.887 ( -2.478 0.647 2.079) 3.299 12.779 ( -3.922 5.338 2.442) 7.060 12.957 ( 1.067 0.322 0.697) 1.315 13.790 ( -16.573 28.946 8.792) 34.494 14.266 ( -0.779 8.897 5.113) 10.291 15.045 ( 3.064 6.808 0.690) 7.497 15.298 ( -3.890 1.402 1.437) 4.377 15.570 ( 3.928 -1.949 8.598) 9.651 15.931 ( -3.420 8.603 0.361) 9.265 17.817 ( -1.730 -13.748 -19.239) 23.710 18.527 ( 12.387 -17.413 -5.296) 22.016 21.023 ( -1.049 -0.348 1.216) 1.643 21.112 ( 0.551 -0.867 1.509) 1.826 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -5.892 18.617 6.176) 20.481 1.219 ( -15.053 13.811 3.566) 20.738 1.929 ( -0.285 -3.928 4.299) 5.830 1.988 ( 4.140 -5.462 1.852) 7.100 2.027 ( -13.452 4.068 -0.893) 14.082 2.115 ( 1.485 -3.539 2.257) 4.452 2.207 ( -4.233 8.611 1.437) 9.702 2.285 ( 0.430 -2.232 -2.887) 3.675 2.379 ( 0.402 0.771 -1.865) 2.058 2.476 ( 9.438 -1.139 -2.017) 9.718 2.579 ( 5.006 -0.845 0.082) 5.077 2.772 ( 2.314 -1.178 -4.579) 5.264 2.838 ( 1.308 -2.685 -3.624) 4.696 2.970 ( 2.340 -2.574 -1.205) 3.681 3.174 ( 5.190 4.447 -4.207) 8.026 3.250 ( 6.298 -0.315 -0.119) 6.307 3.528 ( -5.933 8.301 -4.081) 10.989 3.834 ( 0.330 1.653 -1.489) 2.250 3.912 ( 9.085 0.841 5.263) 10.533 4.048 ( -2.913 4.585 3.497) 6.460 4.349 ( -3.607 -5.846 -1.830) 7.109 4.498 ( 2.618 -3.744 4.188) 6.198 4.675 ( -0.113 2.604 1.300) 2.913 4.751 ( 1.477 -1.080 0.216) 1.843 5.095 ( 3.824 -9.446 -1.736) 10.338 5.152 ( 1.926 -3.052 -0.243) 3.617 5.265 ( 4.262 1.263 1.194) 4.603 5.327 ( 0.005 -0.991 -3.251) 3.398 6.136 ( 2.285 3.515 1.250) 4.374 6.379 ( 1.663 -3.194 -3.015) 4.697 6.622 ( -2.537 2.806 2.253) 4.403 6.725 ( -1.417 2.451 -5.606) 6.280 6.871 ( -4.203 1.359 1.896) 4.807 7.051 ( 3.657 7.080 -1.632) 8.134 7.587 ( 0.934 -0.350 1.452) 1.761 7.847 ( -1.713 -3.786 2.158) 4.682 8.258 ( 1.600 3.191 0.489) 3.603 8.337 ( 9.443 10.027 2.031) 13.923 8.625 ( -0.748 -10.118 -1.793) 10.303 8.881 ( -0.873 2.696 5.408) 6.105 8.968 ( 7.802 -1.015 -1.058) 7.939 9.127 ( 4.668 0.399 -4.670) 6.615 9.444 ( 4.919 -2.024 -0.094) 5.320 9.622 ( 3.334 -6.252 5.646) 9.060 10.154 ( -17.216 -0.549 -0.832) 17.245 10.414 ( -14.703 0.846 -0.339) 14.731 10.563 ( -11.464 6.261 -1.288) 13.126 10.933 ( 3.999 -4.210 0.953) 5.884 12.777 ( -0.884 5.746 4.173) 7.156 13.002 ( 2.413 -1.305 1.549) 3.151 13.550 ( -22.369 11.113 5.510) 25.578 14.254 ( 1.395 -6.488 -5.102) 8.371 15.129 ( 6.964 10.809 -5.169) 13.858 15.236 ( -4.366 4.680 1.770) 6.641 15.728 ( -8.197 -5.750 10.285) 14.354 15.896 ( 4.220 -0.883 4.134) 5.973 17.618 ( 1.289 9.023 -12.922) 15.812 18.663 ( 10.115 -10.553 -2.398) 14.813 21.018 ( -0.597 -0.989 0.193) 1.171 21.128 ( 0.137 -1.867 0.316) 1.899 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -8.317 18.041 7.615) 21.275 1.101 ( -6.219 20.789 10.341) 24.037 1.747 ( -14.124 20.391 4.509) 25.211 1.905 ( -1.810 -2.123 -0.881) 2.925 2.094 ( 2.868 -0.656 -3.663) 4.698 2.152 ( -0.809 -4.620 -7.572) 8.907 2.217 ( 1.294 -1.476 1.819) 2.676 2.269 ( 5.697 -5.226 1.354) 7.848 2.431 ( 3.665 0.097 1.562) 3.985 2.550 ( 5.744 -1.015 -7.308) 9.350 2.635 ( 2.653 -2.280 0.149) 3.502 2.746 ( -4.191 -5.420 -3.861) 7.865 2.867 ( 6.147 -2.060 5.201) 8.311 3.021 ( 1.026 -2.985 7.661) 8.286 3.225 ( 6.311 8.065 -2.987) 10.668 3.368 ( 7.796 -2.306 0.255) 8.133 3.455 ( -2.019 6.748 3.883) 8.043 3.784 ( -3.393 2.416 -2.169) 4.696 3.975 ( -7.532 8.900 -1.123) 11.713 4.121 ( 7.303 -1.655 2.200) 7.805 4.232 ( -4.425 -4.144 -3.471) 6.986 4.492 ( -3.259 -0.075 -1.550) 3.610 4.745 ( -0.586 -1.473 -3.019) 3.410 4.754 ( 3.827 -3.286 3.964) 6.415 5.074 ( -1.909 -4.793 -1.764) 5.452 5.147 ( 0.442 0.685 -1.501) 1.708 5.284 ( -1.214 -2.501 -0.788) 2.889 5.432 ( 10.252 -1.742 0.303) 10.403 6.220 ( 3.522 0.396 2.916) 4.589 6.366 ( 1.247 -4.038 -2.665) 4.996 6.577 ( -2.717 -3.222 -1.091) 4.354 6.669 ( 0.752 1.811 -4.306) 4.732 6.815 ( -3.798 6.169 2.640) 7.711 7.095 ( 2.048 8.320 -0.681) 8.595 7.612 ( 0.072 -1.104 1.239) 1.661 7.823 ( -1.946 -5.200 -0.093) 5.553 8.247 ( -1.704 0.931 0.225) 1.955 8.527 ( 9.009 3.229 -6.145) 11.373 8.660 ( 7.363 -2.614 1.007) 7.878 8.972 ( 3.264 4.726 8.595) 10.337 9.083 ( 6.161 0.746 1.596) 6.408 9.140 ( 2.657 0.352 -1.019) 2.868 9.498 ( 4.620 -4.105 -6.937) 9.291 9.716 ( -6.361 -5.327 1.780) 8.486 9.875 ( -13.449 3.530 10.537) 17.446 10.157 ( -16.804 3.531 1.129) 17.208 10.399 ( -5.141 9.373 -1.126) 10.750 10.992 ( 2.999 -5.712 -1.584) 6.644 12.817 ( -0.247 4.828 1.921) 5.202 13.060 ( 2.435 -2.204 1.961) 3.825 13.243 ( -18.159 -0.387 -0.031) 18.163 14.206 ( 3.610 -18.810 -10.419) 21.804 15.092 ( 1.610 6.362 -8.513) 10.749 15.262 ( 1.766 8.410 2.718) 9.013 15.593 ( -13.497 -4.053 5.432) 15.104 16.014 ( 4.097 -12.064 -5.524) 13.887 17.633 ( 5.016 27.840 8.062) 29.415 18.798 ( 6.775 -3.511 1.683) 7.814 21.010 ( -0.071 -1.512 -0.564) 1.615 21.124 ( -0.043 -2.698 -1.086) 2.909 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -5.086 14.501 3.515) 15.764 1.413 ( -6.721 14.765 -2.982) 16.495 1.806 ( -1.001 -5.732 1.345) 5.972 1.889 ( -3.980 1.241 -13.126) 13.772 1.947 ( -1.330 -0.123 1.520) 2.023 2.064 ( -0.910 -3.815 -6.767) 7.821 2.201 ( 0.942 -7.910 -1.611) 8.127 2.307 ( 5.131 3.596 3.153) 7.014 2.331 ( 1.287 -6.055 -2.882) 6.828 2.510 ( 2.838 -1.875 -4.207) 5.410 2.584 ( -1.363 -2.955 -1.326) 3.514 2.664 ( 7.052 -5.277 2.457) 9.144 3.034 ( 2.481 4.203 10.265) 11.367 3.123 ( -1.773 -2.006 17.699) 17.900 3.414 ( 0.229 8.155 4.676) 9.404 3.546 ( 4.586 11.096 1.310) 12.078 3.674 ( -4.084 9.314 4.362) 11.066 3.779 ( -1.025 1.157 -0.333) 1.581 3.973 ( -1.573 -0.561 -1.024) 1.959 4.055 ( -3.994 -2.544 -4.352) 6.431 4.239 ( 1.230 2.217 -0.295) 2.553 4.419 ( -1.539 -2.904 -3.770) 5.002 4.627 ( -0.320 0.476 -3.524) 3.571 4.749 ( 3.906 -3.683 -0.169) 5.371 5.012 ( -0.647 -1.304 -0.729) 1.628 5.149 ( -1.749 -6.343 -1.033) 6.661 5.246 ( 2.618 4.454 -1.036) 5.269 5.427 ( 0.545 -4.322 -3.228) 5.422 6.255 ( 0.109 1.241 0.350) 1.294 6.328 ( 0.853 -2.668 1.258) 3.070 6.481 ( 0.061 -1.314 -0.529) 1.418 6.583 ( 2.117 -5.381 -1.399) 5.950 7.025 ( -0.094 9.918 0.207) 9.921 7.204 ( -0.437 3.502 -4.870) 6.014 7.597 ( -1.155 0.193 2.565) 2.819 7.732 ( -0.273 -3.487 2.913) 4.551 8.258 ( -0.769 2.463 0.821) 2.708 8.435 ( 0.916 -6.810 2.731) 7.394 8.811 ( 2.598 5.228 -4.853) 7.592 8.984 ( -5.575 -3.434 3.378) 7.367 9.116 ( 1.201 2.929 -1.575) 3.536 9.312 ( -2.488 -3.821 -8.820) 9.929 9.466 ( 5.884 2.147 1.246) 6.386 9.671 ( 3.231 -2.926 2.068) 4.825 9.844 ( -9.214 7.563 5.446) 13.105 10.069 ( -1.177 -0.775 5.641) 5.815 10.610 ( 1.860 9.201 3.476) 10.010 10.885 ( 0.382 -5.058 -1.422) 5.268 12.864 ( -3.894 4.653 -2.771) 6.670 12.971 ( -7.014 -1.917 -0.184) 7.274 13.151 ( 3.779 4.183 -0.791) 5.692 13.670 ( 6.211 -21.319 -12.890) 25.675 15.188 ( 1.892 7.237 -4.911) 8.948 15.369 ( -1.313 1.928 -1.849) 2.977 15.488 ( -2.789 1.070 3.943) 4.947 15.710 ( 0.549 -10.749 -7.394) 13.058 18.382 ( 1.774 20.951 14.671) 25.638 18.860 ( 0.620 -3.627 5.388) 6.525 20.975 ( 0.051 -0.643 -1.255) 1.411 21.039 ( 0.101 -3.332 -2.150) 3.967 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -0.781 8.605 -0.984) 8.697 1.387 ( -1.047 8.853 4.953) 10.198 1.672 ( -2.088 0.950 -10.663) 10.907 1.826 ( 1.119 -5.003 1.434) 5.323 1.921 ( -0.571 -2.654 -1.407) 3.058 1.991 ( -0.159 -3.127 -4.668) 5.621 2.175 ( -0.579 -4.980 -2.836) 5.760 2.305 ( 2.027 -4.196 -5.133) 6.932 2.458 ( 2.599 2.974 3.633) 5.366 2.520 ( 2.741 0.751 -1.605) 3.264 2.541 ( -1.113 -4.891 0.334) 5.027 2.739 ( -0.333 -4.210 -2.219) 4.771 3.178 ( -0.481 8.121 12.568) 14.971 3.260 ( -4.039 -0.674 13.643) 14.244 3.473 ( -3.037 6.470 7.966) 10.702 3.607 ( -10.153 8.980 3.807) 14.079 3.687 ( 7.415 6.925 5.007) 11.314 3.781 ( 2.361 1.371 -0.805) 2.846 3.853 ( -7.351 1.808 -6.891) 10.237 3.939 ( -3.769 -0.875 -2.169) 4.436 4.271 ( 2.504 -1.586 0.693) 3.044 4.341 ( -1.021 -3.091 -5.311) 6.229 4.634 ( 3.416 3.719 -0.924) 5.134 4.805 ( 4.185 -0.533 -1.927) 4.638 4.988 ( -1.255 -5.203 0.189) 5.355 5.082 ( -2.668 -6.440 -2.107) 7.282 5.261 ( -1.099 1.601 -2.038) 2.815 5.351 ( -3.743 -3.153 -3.495) 6.014 6.236 ( -2.912 2.911 0.255) 4.126 6.358 ( 1.509 -2.658 0.834) 3.168 6.524 ( 5.480 -0.357 -0.406) 5.507 6.637 ( 6.107 -5.145 -1.727) 8.170 7.031 ( -0.211 6.410 1.285) 6.541 7.132 ( -0.692 3.331 -5.080) 6.114 7.607 ( -1.617 2.206 3.267) 4.261 7.754 ( -0.714 -1.678 1.903) 2.636 8.270 ( 0.556 4.153 2.041) 4.661 8.481 ( 1.303 -4.147 0.425) 4.368 8.695 ( -9.810 4.773 -2.720) 11.243 8.911 ( -6.326 -2.145 2.150) 7.017 9.116 ( -4.171 0.408 -1.161) 4.349 9.230 ( 4.592 -4.653 -2.027) 6.845 9.447 ( -5.599 1.008 0.637) 5.724 9.573 ( -10.088 -2.968 -0.089) 10.516 10.017 ( 13.653 5.120 6.247) 15.863 10.204 ( 9.216 -2.775 2.434) 9.928 10.686 ( 1.755 6.896 3.385) 7.880 10.855 ( -1.376 -2.018 -2.319) 3.368 12.776 ( -1.213 4.146 -2.801) 5.148 12.903 ( -0.420 -3.639 -1.822) 4.091 13.280 ( 13.977 6.869 -1.569) 15.652 13.722 ( 16.679 -14.730 -13.745) 26.155 15.181 ( 2.771 4.109 -3.628) 6.142 15.302 ( -2.150 1.410 -5.610) 6.171 15.522 ( 1.235 1.696 3.601) 4.168 15.666 ( 3.492 -6.231 -3.054) 7.769 18.501 ( -9.722 13.788 16.485) 23.588 18.841 ( -9.829 -2.529 4.816) 11.234 20.964 ( 0.570 -0.611 -1.463) 1.685 21.021 ( 1.078 -2.875 -2.626) 4.040 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 3.427 1.132 7.452) 8.280 1.484 ( 7.571 1.579 3.788) 8.612 1.637 ( 5.994 4.479 -1.085) 7.561 1.875 ( 1.846 -3.215 1.661) 4.062 1.903 ( -0.256 -1.305 -0.916) 1.614 1.971 ( 1.713 -5.334 0.100) 5.603 2.116 ( -1.632 1.397 -4.397) 4.894 2.273 ( 2.212 -2.603 -6.335) 7.197 2.462 ( -0.863 2.387 -3.958) 4.702 2.508 ( 1.498 -2.458 -1.863) 3.429 2.565 ( -3.841 -5.391 3.715) 7.591 2.646 ( -4.015 -4.200 -4.997) 7.664 3.209 ( -8.212 5.577 2.531) 10.245 3.320 ( -5.237 1.910 10.786) 12.142 3.430 ( -12.068 11.415 1.419) 16.672 3.516 ( -5.142 3.786 9.115) 11.129 3.697 ( -1.685 -0.402 -3.937) 4.301 3.737 ( -5.124 -2.084 0.522) 5.557 3.821 ( 1.247 5.766 -1.940) 6.210 3.984 ( 7.485 3.806 5.211) 9.883 4.263 ( -0.813 -0.381 -4.071) 4.169 4.350 ( 4.638 -3.631 1.154) 6.002 4.678 ( 1.177 4.265 1.382) 4.635 4.844 ( 3.468 1.893 -1.742) 4.318 4.963 ( -2.165 -6.068 -1.102) 6.536 5.024 ( -2.204 -3.256 -0.881) 4.030 5.194 ( -1.867 -1.926 -1.722) 3.187 5.241 ( -4.888 -4.694 -4.597) 8.189 6.194 ( -1.540 2.663 -0.531) 3.122 6.370 ( -0.910 -4.557 -0.262) 4.654 6.637 ( 8.834 3.902 -0.873) 9.697 6.722 ( 6.889 -0.269 -2.199) 7.236 7.033 ( -1.873 5.119 0.593) 5.483 7.099 ( 1.976 0.961 -0.974) 2.403 7.617 ( -1.852 3.012 3.335) 4.861 7.743 ( -1.921 -0.071 -0.256) 1.939 8.316 ( 0.966 5.026 2.187) 5.566 8.419 ( -4.352 6.529 -3.294) 8.510 8.598 ( -4.719 -7.056 5.653) 10.199 8.786 ( -7.913 -8.634 -2.734) 12.027 9.028 ( -5.342 4.209 0.076) 6.801 9.274 ( -4.380 -5.848 0.961) 7.370 9.351 ( -1.573 3.416 -1.266) 3.968 9.507 ( -1.217 -3.019 4.781) 5.784 10.280 ( 11.539 -0.219 3.084) 11.946 10.382 ( 9.782 -5.165 2.084) 11.256 10.721 ( 0.068 5.103 -0.017) 5.104 10.802 ( -0.886 1.335 -3.227) 3.603 12.781 ( 3.099 3.879 0.806) 5.029 12.902 ( 1.329 -3.518 0.060) 3.761 13.571 ( 25.342 10.785 -3.647) 27.782 13.839 ( 16.124 -2.917 -13.814) 21.432 15.158 ( -1.776 3.219 -3.415) 5.018 15.229 ( 2.218 0.868 -3.345) 4.106 15.597 ( 2.679 3.444 4.150) 6.022 15.767 ( 9.664 -4.670 0.434) 10.742 18.424 ( -19.067 4.964 10.715) 22.428 18.674 ( -16.149 -5.362 3.410) 17.354 20.962 ( 1.086 -0.112 -1.209) 1.629 21.014 ( 1.324 -2.088 -2.160) 3.283 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 3.915 -1.109 10.098) 10.887 1.676 ( 8.774 -3.696 3.664) 10.201 1.807 ( 8.850 4.043 5.873) 11.365 1.879 ( -2.042 -0.983 -2.391) 3.295 1.900 ( 1.634 2.245 0.309) 2.793 2.020 ( 2.499 -1.260 -2.840) 3.987 2.063 ( 0.453 3.434 1.203) 3.666 2.242 ( 3.110 0.672 -6.305) 7.062 2.365 ( -2.982 0.877 -6.062) 6.812 2.492 ( -2.712 -1.805 -2.239) 3.953 2.513 ( -4.195 -5.246 2.076) 7.031 2.558 ( -0.559 -8.764 -1.576) 8.922 3.106 ( -4.886 4.128 2.127) 6.740 3.235 ( -11.428 8.876 -1.039) 14.508 3.321 ( -7.249 -0.902 8.132) 10.931 3.487 ( -4.330 -0.112 -3.100) 5.327 3.608 ( -3.266 -3.021 -6.521) 7.894 3.685 ( -4.435 -3.866 6.081) 8.461 3.850 ( 1.134 9.372 1.255) 9.524 4.106 ( 2.262 3.560 0.650) 4.267 4.222 ( -0.276 4.160 -1.008) 4.289 4.438 ( 4.468 -4.278 0.212) 6.189 4.706 ( 0.529 5.139 1.776) 5.463 4.860 ( 1.290 0.486 -2.781) 3.104 4.912 ( -1.831 -2.275 -2.028) 3.555 5.004 ( -1.012 1.223 3.602) 3.936 5.108 ( -4.392 -5.250 -3.950) 7.903 5.187 ( 1.181 -6.279 0.304) 6.397 6.178 ( 0.065 1.427 -0.428) 1.491 6.334 ( -1.883 -5.281 -1.065) 5.707 6.732 ( 5.587 8.731 -4.632) 11.354 6.830 ( 7.851 5.248 1.018) 9.499 6.994 ( -1.723 4.980 -1.424) 5.459 7.151 ( 2.461 -1.077 1.960) 3.326 7.621 ( -1.954 2.530 2.623) 4.135 7.705 ( -1.024 0.087 -0.793) 1.298 8.279 ( -3.833 4.017 -0.339) 5.562 8.413 ( -0.926 3.305 3.577) 4.958 8.548 ( -5.533 -8.000 -0.124) 9.727 8.665 ( -3.790 -7.898 -0.990) 8.816 8.951 ( -3.769 4.474 0.317) 5.859 9.156 ( -6.476 -2.294 -0.511) 6.889 9.371 ( 1.578 0.215 0.587) 1.698 9.548 ( -1.693 -4.846 3.254) 6.078 10.461 ( 8.147 -2.198 2.320) 8.752 10.564 ( 7.820 -5.561 3.718) 10.291 10.703 ( 0.209 4.006 -1.987) 4.477 10.752 ( -0.396 0.936 -4.143) 4.266 12.876 ( 4.721 2.732 3.479) 6.470 12.939 ( 1.857 -1.914 1.616) 3.119 13.911 ( 9.630 11.345 -8.978) 17.379 13.971 ( 26.664 14.556 -1.964) 30.442 15.115 ( -0.572 3.361 -0.053) 3.409 15.276 ( 7.178 -0.682 -1.846) 7.443 15.702 ( 3.962 7.230 4.971) 9.627 15.937 ( 9.202 -1.740 0.593) 9.384 18.158 ( -20.256 -4.231 0.592) 20.701 18.406 ( -19.915 -13.149 0.572) 23.871 20.973 ( 1.339 0.370 -0.245) 1.411 21.014 ( 0.933 -1.227 -0.939) 1.804 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 2.145 -0.073 6.528) 6.872 1.759 ( -2.950 -0.312 -0.226) 2.975 1.836 ( 3.265 1.285 3.055) 4.653 1.876 ( -0.848 -0.112 0.912) 1.250 1.991 ( 1.644 5.062 -0.326) 5.332 2.062 ( 6.116 4.712 -1.855) 7.940 2.101 ( 3.092 0.281 0.910) 3.236 2.210 ( 2.448 1.913 -4.495) 5.464 2.323 ( 3.433 -1.388 -2.817) 4.653 2.404 ( -6.322 0.893 -0.132) 6.386 2.503 ( -0.063 -7.303 1.646) 7.486 2.539 ( -3.026 -6.248 0.867) 6.996 3.064 ( -4.851 3.140 -3.505) 6.758 3.123 ( 2.093 -0.779 3.057) 3.787 3.280 ( -8.573 -5.237 6.781) 12.121 3.330 ( -8.743 -5.830 -3.669) 11.130 3.514 ( 2.877 2.632 -8.372) 9.236 3.674 ( -2.193 -5.530 0.247) 5.954 3.847 ( -0.960 9.691 -1.692) 9.885 4.097 ( -1.707 3.869 -0.827) 4.309 4.224 ( 0.227 6.265 1.336) 6.409 4.487 ( 0.917 -5.724 1.510) 5.990 4.738 ( 3.336 4.262 -2.120) 5.813 4.839 ( 0.937 2.438 -4.235) 4.976 4.876 ( -1.147 1.397 -0.110) 1.811 5.022 ( -1.244 -1.127 2.790) 3.256 5.064 ( -1.213 -1.983 2.843) 3.673 5.210 ( 0.703 -6.959 0.476) 7.010 6.181 ( 0.236 0.728 0.547) 0.941 6.311 ( -0.527 -4.656 1.264) 4.854 6.741 ( 3.509 11.349 -5.388) 13.044 6.924 ( -2.889 11.307 3.356) 12.143 6.985 ( 7.566 1.101 -4.588) 8.917 7.191 ( 0.343 0.420 0.327) 0.633 7.615 ( -1.608 2.237 1.637) 3.204 7.710 ( 1.298 -1.805 0.866) 2.386 8.227 ( -2.484 0.244 0.084) 2.498 8.363 ( -6.674 -5.436 1.327) 8.709 8.511 ( -0.754 -1.429 0.435) 1.673 8.602 ( -1.883 -3.457 -1.645) 4.267 8.918 ( -1.450 4.284 0.736) 4.582 9.093 ( -0.819 -2.940 -0.572) 3.105 9.388 ( -0.007 -1.260 -0.145) 1.269 9.513 ( -3.657 -4.958 -0.615) 6.191 10.563 ( 3.161 -2.162 -4.701) 6.064 10.646 ( 1.420 -2.944 -3.955) 5.131 10.712 ( 0.936 2.926 4.686) 5.604 10.775 ( 3.897 -3.564 5.805) 7.847 12.967 ( 1.747 0.270 2.099) 2.744 12.985 ( 1.223 -0.660 1.097) 1.770 13.992 ( 5.479 22.762 4.770) 23.893 14.350 ( 17.361 19.446 4.899) 26.525 15.114 ( -0.761 1.409 0.905) 1.839 15.403 ( 9.499 0.202 -2.175) 9.747 15.844 ( 7.240 11.482 4.748) 14.380 16.017 ( -1.202 6.974 -0.692) 7.111 17.860 ( -8.989 -16.376 -7.922) 20.291 18.062 ( -18.317 -22.703 -5.821) 29.746 20.998 ( 1.007 0.495 1.138) 1.598 21.023 ( 0.435 -0.448 0.506) 0.804 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -5.907 3.075 -3.043) 7.322 1.816 ( -5.058 -0.840 -2.507) 5.707 1.884 ( 2.572 4.811 3.398) 6.427 1.926 ( 1.779 -3.493 7.117) 8.125 2.021 ( 2.016 2.106 1.907) 3.483 2.081 ( 2.734 4.292 0.719) 5.139 2.182 ( 4.387 3.375 -4.041) 6.853 2.218 ( -2.557 1.994 -1.770) 3.694 2.279 ( -2.465 2.400 1.127) 3.621 2.346 ( 1.273 -0.956 -2.939) 3.342 2.466 ( -4.532 -4.930 -1.004) 6.771 2.559 ( 2.900 -5.432 3.781) 7.226 2.983 ( 0.984 -0.884 -6.125) 6.267 3.169 ( -5.911 -8.014 -1.933) 10.144 3.202 ( -6.453 -4.161 4.409) 8.854 3.261 ( 8.345 -6.640 2.707) 11.003 3.476 ( 1.626 1.215 -10.106) 10.308 3.606 ( -0.460 -5.258 -5.750) 7.805 3.832 ( 1.608 11.272 0.096) 11.386 4.077 ( 0.732 5.043 -0.543) 5.124 4.270 ( 0.679 6.440 4.997) 8.179 4.525 ( 0.164 -5.965 4.118) 7.250 4.761 ( 3.386 3.233 -4.106) 6.227 4.801 ( -0.310 4.359 -3.466) 5.578 4.823 ( -2.898 1.188 -2.449) 3.976 5.041 ( -2.485 -2.727 -1.166) 3.869 5.095 ( 2.258 -0.940 6.620) 7.057 5.218 ( -0.694 -5.908 1.007) 6.033 6.205 ( 0.580 1.465 2.511) 2.965 6.347 ( 0.295 -4.317 4.729) 6.410 6.732 ( 3.378 11.373 -6.247) 13.409 6.898 ( -1.855 10.386 1.410) 10.644 7.033 ( 2.518 1.732 -4.162) 5.164 7.173 ( -1.024 1.329 -1.495) 2.247 7.608 ( -1.538 2.926 1.492) 3.627 7.738 ( 0.134 -1.623 1.315) 2.093 8.211 ( -0.656 -3.318 0.652) 3.445 8.301 ( -0.643 -5.665 0.498) 5.723 8.480 ( -1.601 0.395 -1.399) 2.163 8.592 ( 1.534 -3.606 -0.621) 3.968 8.911 ( -0.695 4.624 0.849) 4.752 9.085 ( 0.107 -2.645 -0.986) 2.824 9.374 ( -0.218 -2.921 -1.368) 3.233 9.450 ( -0.857 -4.257 -3.135) 5.356 10.506 ( -0.893 -1.845 -5.416) 5.791 10.583 ( -0.291 -5.182 -6.168) 8.061 10.825 ( 0.298 2.712 8.473) 8.901 10.891 ( 0.649 -2.130 6.948) 7.296 12.976 ( -2.237 1.657 -0.795) 2.895 12.989 ( -0.961 0.127 1.304) 1.625 14.213 ( 3.986 23.516 18.907) 30.436 14.618 ( 2.293 25.791 13.815) 29.347 15.104 ( -1.439 0.576 0.354) 1.590 15.474 ( 1.945 1.419 -2.297) 3.328 15.842 ( -15.225 13.494 -4.989) 20.948 16.030 ( 8.301 12.272 2.950) 15.107 17.731 ( -7.372 -28.190 -13.764) 32.225 17.759 ( 10.669 -25.812 -11.684) 30.275 21.023 ( -0.381 0.519 2.063) 2.161 21.043 ( 0.575 -0.166 1.660) 1.765 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -6.400 5.615 -0.295) 8.519 1.717 ( -2.647 -0.566 -1.266) 2.989 1.866 ( -3.817 3.868 -1.347) 5.599 1.951 ( -7.373 -1.495 -1.480) 7.667 2.030 ( -4.604 -0.859 1.387) 4.884 2.079 ( -4.062 -0.053 3.404) 5.300 2.127 ( -1.155 -0.093 2.747) 2.981 2.276 ( 7.365 -1.750 -5.015) 9.080 2.349 ( 5.051 0.315 0.769) 5.119 2.376 ( 4.489 2.748 6.747) 8.558 2.438 ( 3.510 0.331 -1.659) 3.896 2.651 ( 2.141 -4.180 5.361) 7.127 2.938 ( 3.020 -0.516 -8.309) 8.856 3.076 ( -3.005 -6.247 -3.121) 7.602 3.174 ( 0.217 1.934 1.438) 2.420 3.280 ( -1.198 3.265 -16.672) 17.031 3.497 ( 11.054 -7.863 5.032) 14.469 3.603 ( 7.046 -8.379 -3.727) 11.565 3.894 ( 1.866 8.359 4.332) 9.597 4.070 ( -0.946 6.891 -3.465) 7.771 4.322 ( -1.692 5.394 5.233) 7.703 4.542 ( -6.074 -3.672 2.123) 7.409 4.671 ( -4.583 1.846 -1.679) 5.218 4.787 ( 4.147 3.292 -4.477) 6.934 4.858 ( 7.720 1.157 -0.093) 7.806 4.985 ( -1.696 -4.694 -2.209) 5.458 5.195 ( 1.081 -1.839 3.429) 4.038 5.225 ( 0.234 -4.175 3.205) 5.268 6.238 ( -1.177 2.850 3.273) 4.497 6.398 ( -1.224 -2.778 4.127) 5.123 6.708 ( 2.669 9.016 -5.958) 11.132 6.916 ( 0.336 10.447 3.171) 10.923 6.963 ( -2.841 -1.130 -5.968) 6.706 7.139 ( -0.433 0.730 -2.407) 2.553 7.596 ( -1.702 3.044 1.070) 3.648 7.757 ( -0.322 -1.523 2.673) 3.094 8.203 ( 1.531 0.637 -0.689) 1.795 8.357 ( 2.074 -1.104 1.225) 2.650 8.466 ( 3.208 -3.780 -0.586) 4.992 8.609 ( 2.107 -7.281 -1.804) 7.792 8.914 ( -0.029 4.846 0.956) 4.940 9.081 ( 1.807 -0.794 -1.398) 2.418 9.358 ( 0.482 -3.726 -1.461) 4.031 9.420 ( 1.442 -3.572 -3.451) 5.172 10.437 ( -2.150 -1.964 -2.715) 3.981 10.513 ( -0.954 -6.539 -4.043) 7.747 10.876 ( -4.283 3.557 5.877) 8.095 10.939 ( -3.280 -0.064 5.129) 6.088 12.923 ( -3.952 3.889 1.003) 5.635 12.977 ( -2.164 0.658 1.495) 2.712 14.440 ( -6.413 19.069 17.876) 26.913 14.700 ( -20.298 26.035 22.042) 39.695 15.087 ( 1.726 5.295 -0.685) 5.611 15.405 ( -7.554 2.183 -1.133) 7.944 15.567 ( -3.265 7.179 -7.757) 11.062 16.107 ( -4.446 3.574 3.008) 6.449 17.569 ( 11.824 -19.882 -19.804) 30.452 17.903 ( 21.730 -24.847 -11.412) 34.926 21.033 ( -1.301 0.798 2.064) 2.567 21.071 ( 0.112 -0.727 2.029) 2.158 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -5.377 11.647 3.708) 13.354 1.639 ( -10.147 7.222 1.335) 12.526 1.792 ( -2.853 -0.850 3.906) 4.911 1.866 ( -0.011 -2.514 -0.818) 2.643 1.970 ( -1.509 -4.359 0.241) 4.619 2.050 ( -5.100 -7.144 4.264) 9.759 2.168 ( 1.690 -0.204 2.004) 2.629 2.305 ( 4.670 -6.025 -5.319) 9.295 2.422 ( 2.466 0.929 0.970) 2.808 2.468 ( 1.482 0.539 0.727) 1.737 2.538 ( 1.722 5.330 4.485) 7.176 2.743 ( 0.659 -2.254 4.476) 5.055 2.862 ( 4.391 -0.966 -14.341) 15.029 2.977 ( 0.660 -4.538 -11.811) 12.670 3.195 ( 7.905 9.961 -3.451) 13.177 3.237 ( 6.582 7.882 -0.714) 10.294 3.709 ( 7.594 -5.019 4.188) 10.020 3.737 ( 8.726 -7.586 2.953) 11.934 3.930 ( -8.059 7.142 -6.813) 12.743 3.970 ( 0.404 -1.892 5.387) 5.724 4.341 ( -1.519 4.564 0.381) 4.825 4.420 ( -4.827 0.780 0.870) 4.967 4.645 ( -0.599 -0.589 1.498) 1.718 4.808 ( 3.798 2.744 -4.149) 6.258 4.937 ( -0.126 -5.543 -2.174) 5.955 5.001 ( 5.790 -3.040 1.601) 6.733 5.220 ( 1.105 -0.436 1.582) 1.978 5.288 ( 1.679 -2.720 2.279) 3.926 6.233 ( -2.417 4.887 1.665) 5.701 6.388 ( -2.287 -0.567 -0.277) 2.373 6.688 ( -0.591 2.694 -1.855) 3.324 6.823 ( -5.692 -1.408 -4.218) 7.223 6.976 ( 1.640 7.537 2.146) 8.006 7.120 ( 2.180 2.292 -1.916) 3.699 7.582 ( -1.146 1.897 0.734) 2.335 7.769 ( -2.263 -4.849 2.119) 5.756 8.295 ( 9.958 8.215 -0.924) 12.942 8.346 ( -2.101 2.061 2.393) 3.793 8.507 ( -0.994 -6.339 -1.432) 6.574 8.684 ( 10.167 -9.438 0.162) 13.873 8.939 ( 1.804 5.309 0.856) 5.672 9.117 ( 5.029 0.292 -2.752) 5.740 9.361 ( 1.727 -2.933 -1.686) 3.799 9.420 ( 1.160 -4.142 1.074) 4.434 10.349 ( -5.982 -0.366 -2.053) 6.335 10.470 ( -2.532 -6.658 0.150) 7.125 10.821 ( -7.768 4.390 1.945) 9.132 10.906 ( -5.010 0.462 1.884) 5.372 12.882 ( -3.787 4.588 3.205) 6.758 12.966 ( -1.600 0.192 2.222) 2.745 14.298 ( -33.440 19.077 9.691) 39.700 14.433 ( -21.703 6.953 4.890) 23.308 15.225 ( 8.486 11.867 3.586) 15.023 15.341 ( -1.895 3.023 3.692) 5.134 15.529 ( 0.678 -1.231 1.653) 2.170 15.969 ( -14.050 -6.889 1.652) 15.735 17.650 ( 23.133 -0.493 -17.617) 29.082 18.158 ( 23.460 -18.982 -8.835) 31.445 21.028 ( -1.681 0.825 1.354) 2.311 21.087 ( -0.592 -1.587 1.418) 2.210 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -1.855 15.523 7.277) 17.244 1.497 ( -9.592 14.022 5.079) 17.732 1.851 ( -2.307 -5.829 0.583) 6.295 1.883 ( 5.170 -3.169 7.789) 9.871 1.995 ( 2.042 -3.321 0.636) 3.950 2.042 ( -1.548 -3.322 3.358) 4.971 2.167 ( -0.977 -4.453 -3.536) 5.770 2.343 ( 3.513 -6.580 -0.406) 7.470 2.367 ( -4.328 2.062 -5.843) 7.558 2.489 ( 0.744 0.674 1.696) 1.971 2.585 ( 1.533 1.811 -2.396) 3.372 2.747 ( 1.594 -1.226 0.104) 2.013 2.812 ( 3.282 -0.046 -9.934) 10.462 2.917 ( 2.486 -3.110 -2.939) 4.949 3.307 ( 5.787 9.441 -0.287) 11.077 3.351 ( 8.636 12.143 -1.779) 15.007 3.714 ( -6.811 7.661 -3.828) 10.942 3.843 ( 3.128 -2.678 2.179) 4.659 3.922 ( 6.486 -1.829 5.764) 8.868 4.008 ( -2.039 -8.741 3.503) 9.634 4.282 ( -1.977 3.618 -1.919) 4.547 4.447 ( 0.972 -0.946 3.549) 3.799 4.662 ( 0.597 -0.630 0.969) 1.301 4.792 ( 0.627 0.127 -5.299) 5.337 4.940 ( 3.235 -4.726 -0.820) 5.786 5.061 ( 1.440 -5.562 0.141) 5.747 5.291 ( 5.247 1.041 1.275) 5.500 5.314 ( 0.476 -0.381 -0.830) 1.029 6.223 ( -0.066 4.815 0.716) 4.868 6.338 ( -1.594 -1.206 -2.245) 3.006 6.620 ( -6.088 -1.036 -0.151) 6.178 6.702 ( -3.692 -3.983 -3.899) 6.686 7.008 ( 0.190 9.683 1.494) 9.799 7.176 ( 4.803 4.073 0.099) 6.298 7.579 ( -0.594 0.055 1.163) 1.307 7.737 ( -2.696 -6.229 0.397) 6.799 8.291 ( -2.820 1.709 1.063) 3.465 8.447 ( -2.680 -6.668 -1.421) 7.326 8.557 ( 16.301 9.515 0.788) 18.891 8.864 ( 7.599 -5.273 3.711) 9.966 8.998 ( 5.342 5.000 0.331) 7.325 9.150 ( 4.490 0.889 -4.913) 6.715 9.382 ( 2.845 -2.964 -0.884) 4.202 9.496 ( 3.804 -6.090 4.502) 8.475 10.196 ( -12.424 3.979 0.961) 13.081 10.384 ( -10.483 -3.693 1.691) 11.243 10.688 ( -7.749 6.072 -1.767) 10.002 10.863 ( -0.373 -3.046 -0.415) 3.096 12.880 ( -1.836 4.252 4.381) 6.376 12.976 ( -0.532 -1.287 2.591) 2.942 13.776 ( -34.363 11.607 1.999) 36.325 14.145 ( -16.087 -5.752 -4.342) 17.627 15.280 ( 1.294 6.923 -4.064) 8.131 15.392 ( -0.423 8.828 3.467) 9.494 15.601 ( -3.659 -6.851 9.622) 12.366 15.772 ( -7.120 -9.938 -1.367) 12.302 17.873 ( 21.162 15.209 -7.216) 27.041 18.442 ( 20.178 -11.985 -3.484) 23.726 21.011 ( -1.458 0.463 0.284) 1.556 21.084 ( -1.002 -2.497 0.251) 2.703 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -6.339 14.886 5.199) 16.994 1.507 ( -2.197 18.921 5.285) 19.768 1.818 ( -2.575 -5.895 1.192) 6.542 1.952 ( -4.901 3.033 2.146) 6.150 2.043 ( 0.159 0.902 -6.275) 6.342 2.094 ( 3.195 -3.693 0.496) 4.909 2.119 ( 7.574 -6.592 -0.504) 10.054 2.281 ( -0.078 -0.612 -2.187) 2.273 2.379 ( 1.261 -7.703 -3.237) 8.450 2.475 ( 0.240 -8.081 -1.707) 8.263 2.590 ( 2.330 1.259 -2.473) 3.624 2.664 ( -1.529 -2.356 -8.285) 8.748 2.885 ( 3.094 3.198 7.668) 8.865 2.961 ( 1.037 -2.554 8.552) 8.985 3.371 ( 1.530 9.980 1.613) 10.225 3.459 ( 6.652 11.819 -0.815) 13.587 3.656 ( -0.431 10.005 2.458) 10.311 3.834 ( -4.349 -0.752 0.215) 4.419 3.997 ( -1.475 -5.641 0.413) 5.845 4.068 ( 4.314 -3.639 1.716) 5.899 4.246 ( -0.814 4.960 -1.088) 5.143 4.465 ( -1.243 -2.653 -0.202) 2.937 4.684 ( -0.156 -1.820 0.746) 1.974 4.722 ( -0.441 -2.048 -4.822) 5.258 4.999 ( 2.682 -1.829 0.430) 3.274 5.104 ( 4.539 -4.620 0.178) 6.479 5.280 ( -2.136 2.166 -2.098) 3.695 5.393 ( 6.236 -2.474 -1.362) 6.846 6.241 ( 1.167 1.651 0.127) 2.026 6.308 ( 0.314 -1.933 -0.550) 2.034 6.525 ( -4.646 -1.580 -0.097) 4.908 6.612 ( -2.574 -4.755 -2.539) 5.974 7.022 ( 0.109 11.455 0.562) 11.469 7.231 ( 2.292 4.095 -1.814) 5.031 7.587 ( -0.592 -0.920 1.698) 2.020 7.714 ( -1.199 -5.568 1.632) 5.925 8.267 ( -1.627 1.417 0.950) 2.358 8.412 ( -0.846 -6.751 0.751) 6.845 8.762 ( 9.560 6.076 -3.468) 11.847 8.978 ( 0.376 -4.494 4.147) 6.126 9.099 ( 5.869 4.236 -1.837) 7.467 9.241 ( 12.615 4.811 1.026) 13.540 9.401 ( 1.482 -3.422 -3.804) 5.327 9.606 ( 4.242 -6.332 1.562) 7.780 9.989 ( -16.360 7.101 6.103) 18.850 10.186 ( -15.130 -0.979 2.267) 15.330 10.586 ( -2.055 9.075 -0.510) 9.319 10.877 ( 2.034 -5.866 -0.938) 6.280 12.905 ( -1.203 3.705 2.621) 4.696 13.007 ( -0.240 -2.556 3.874) 4.648 13.313 ( -20.288 7.389 -3.910) 21.943 13.841 ( -9.866 -17.540 -10.143) 22.536 15.233 ( 0.252 8.249 -5.406) 9.866 15.396 ( -1.010 4.686 0.265) 4.801 15.535 ( -9.968 -1.780 5.840) 11.690 15.754 ( 3.123 -13.274 -4.413) 14.333 18.143 ( 12.683 22.467 5.811) 26.446 18.706 ( 12.294 -6.640 2.529) 14.200 20.991 ( -0.698 -0.160 -0.673) 0.983 21.064 ( -0.790 -3.179 -1.052) 3.440 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -5.406 -5.038 -3.753) 8.288 1.582 ( -5.406 5.038 -3.753) 8.288 1.758 ( -4.333 -8.687 -4.504) 10.701 1.758 ( -4.333 8.687 -4.504) 10.701 2.004 ( -0.912 -5.614 -4.593) 7.311 2.004 ( -0.912 5.614 -4.593) 7.311 2.180 ( 1.936 -7.277 -2.954) 8.089 2.180 ( 1.936 7.277 -2.954) 8.089 2.404 ( 5.507 -6.623 6.397) 10.730 2.404 ( 5.507 6.623 6.397) 10.730 2.584 ( 2.684 -2.020 -4.917) 5.955 2.584 ( 2.684 2.020 -4.917) 5.955 3.089 ( -0.302 -1.466 16.105) 16.175 3.089 ( -0.302 1.466 16.105) 16.175 3.674 ( 0.377 -10.458 1.278) 10.543 3.674 ( 0.377 10.458 1.278) 10.543 3.740 ( -0.521 -4.962 3.671) 6.195 3.740 ( -0.521 4.962 3.671) 6.195 3.966 ( -2.865 -4.642 -0.870) 5.524 3.966 ( -2.865 4.642 -0.870) 5.524 4.326 ( -0.893 -5.515 -3.304) 6.491 4.326 ( -0.893 5.515 -3.304) 6.491 4.674 ( 2.892 -3.576 -1.521) 4.844 4.674 ( 2.892 3.576 -1.521) 4.844 5.039 ( -1.801 -3.974 -1.474) 4.605 5.039 ( -1.801 3.974 -1.474) 4.605 5.337 ( 1.553 -4.640 -2.533) 5.510 5.337 ( 1.553 4.640 -2.533) 5.510 6.287 ( 1.038 -1.730 0.914) 2.215 6.287 ( 1.038 1.730 0.914) 2.215 6.493 ( 0.307 -2.899 -0.536) 2.964 6.493 ( 0.307 2.899 -0.536) 2.964 7.185 ( -0.114 -5.278 -4.286) 6.800 7.185 ( -0.114 5.278 -4.286) 6.800 7.648 ( -0.626 -4.411 4.802) 6.551 7.648 ( -0.626 4.411 4.802) 6.551 8.323 ( -0.055 -4.310 2.567) 5.017 8.323 ( -0.055 4.310 2.567) 5.017 8.907 ( 0.392 -4.314 -0.235) 4.338 8.907 ( 0.392 4.314 -0.235) 4.338 9.203 ( -0.696 -5.602 -5.981) 8.224 9.203 ( -0.696 5.602 -5.981) 8.224 9.562 ( 1.316 -6.202 -0.038) 6.340 9.562 ( 1.316 6.202 -0.038) 6.340 10.000 ( -3.427 -6.160 6.001) 9.258 10.000 ( -3.427 6.160 6.001) 9.258 10.770 ( 1.043 -6.820 1.260) 7.014 10.770 ( 1.043 6.820 1.260) 7.014 12.935 ( -5.756 -2.288 -0.196) 6.198 12.935 ( -5.756 2.288 -0.196) 6.198 13.321 ( 5.534 -13.298 -7.760) 16.361 13.321 ( 5.534 13.298 -7.760) 16.361 15.334 ( -0.519 -5.914 -5.034) 7.784 15.334 ( -0.519 5.914 -5.034) 7.784 15.539 ( -0.078 -5.018 0.213) 5.023 15.539 ( -0.078 5.018 0.213) 5.023 18.712 ( 0.860 -11.848 9.318) 15.098 18.712 ( 0.860 11.848 9.318) 15.098 20.985 ( 0.079 -1.750 -1.752) 2.478 20.985 ( 0.079 1.750 -1.752) 2.478 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -2.339 -5.724 -6.959) 9.310 1.427 ( -2.339 5.724 -6.959) 9.310 1.706 ( 0.025 -4.885 0.292) 4.893 1.706 ( 0.025 4.885 0.292) 4.893 1.949 ( -1.811 -4.118 -0.884) 4.585 1.949 ( -1.811 4.118 -0.884) 4.585 2.173 ( 2.722 -6.023 -4.283) 7.876 2.173 ( 2.722 6.023 -4.283) 7.876 2.484 ( 0.854 -1.216 -0.354) 1.528 2.484 ( 0.854 1.216 -0.354) 1.528 2.616 ( 2.481 -6.606 -1.304) 7.176 2.616 ( 2.481 6.606 -1.304) 7.176 3.248 ( -3.365 -0.569 15.793) 16.157 3.248 ( -3.365 0.569 15.792) 16.157 3.684 ( -3.392 -9.163 2.731) 10.145 3.684 ( -3.392 9.163 2.731) 10.145 3.773 ( -1.901 -3.911 2.309) 4.924 3.773 ( -1.901 3.911 2.309) 4.924 3.869 ( -4.084 -3.885 -0.068) 5.637 3.869 ( -4.084 3.885 -0.068) 5.637 4.283 ( 1.240 -2.389 -3.925) 4.759 4.283 ( 1.240 2.389 -3.925) 4.759 4.733 ( 5.196 -5.745 -1.096) 7.823 4.733 ( 5.196 5.745 -1.096) 7.823 4.970 ( -2.641 -3.646 -1.605) 4.780 4.970 ( -2.641 3.646 -1.605) 4.780 5.299 ( -2.774 -2.139 -3.307) 4.817 5.299 ( -2.774 2.139 -3.307) 4.817 6.300 ( -1.044 -3.308 0.363) 3.487 6.300 ( -1.044 3.308 0.363) 3.487 6.548 ( 7.265 -3.224 -0.200) 7.951 6.548 ( 7.265 3.224 -0.200) 7.951 7.132 ( -0.380 -3.205 -3.649) 4.872 7.132 ( -0.380 3.205 -3.649) 4.872 7.686 ( -1.406 -4.725 4.460) 6.647 7.686 ( -1.406 4.725 4.460) 6.647 8.366 ( 0.827 -5.646 3.834) 6.874 8.366 ( 0.827 5.646 3.834) 6.874 8.824 ( -8.425 -6.329 -4.439) 11.434 8.824 ( -8.425 6.329 -4.439) 11.434 9.149 ( 0.871 -2.965 -1.076) 3.272 9.149 ( 0.871 2.965 -1.076) 3.272 9.500 ( -6.711 -3.817 0.796) 7.761 9.500 ( -6.711 3.817 0.796) 7.761 10.124 ( 8.476 -5.043 3.784) 10.564 10.124 ( 8.476 5.043 3.784) 10.564 10.796 ( 0.407 -4.165 0.933) 4.288 10.796 ( 0.407 4.165 0.933) 4.288 12.845 ( -1.160 -2.764 -2.875) 4.153 12.845 ( -1.160 2.764 -2.875) 4.153 13.461 ( 19.393 -11.293 -6.733) 23.429 13.461 ( 19.393 11.293 -6.733) 23.429 15.270 ( 0.363 -4.061 -6.204) 7.424 15.270 ( 0.363 4.061 -6.204) 7.424 15.567 ( 2.732 -3.242 1.746) 4.585 15.567 ( 2.732 3.242 1.746) 4.585 18.731 ( -12.362 -8.717 10.258) 18.277 18.731 ( -12.362 8.717 10.258) 18.277 20.974 ( 1.217 -1.589 -2.095) 2.898 20.974 ( 1.217 1.589 -2.095) 2.898 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 5.177 -5.660 0.125) 7.672 1.413 ( 5.177 5.660 0.125) 7.672 1.756 ( 3.851 -6.550 3.135) 8.220 1.756 ( 3.851 6.550 3.135) 8.220 1.931 ( -0.578 -0.570 1.050) 1.327 1.931 ( -0.578 0.570 1.050) 1.327 2.176 ( 3.314 -5.225 -3.811) 7.267 2.176 ( 3.314 5.225 -3.811) 7.267 2.477 ( 0.444 -0.561 -2.242) 2.354 2.477 ( 0.444 0.561 -2.242) 2.354 2.564 ( -4.265 -3.537 -4.620) 7.214 2.564 ( -4.265 3.537 -4.620) 7.214 3.303 ( -7.816 -3.309 8.898) 12.297 3.303 ( -7.816 3.309 8.898) 12.297 3.625 ( -8.560 -6.258 0.057) 10.604 3.625 ( -8.560 6.258 0.057) 10.604 3.636 ( -8.210 -6.585 1.851) 10.686 3.636 ( -8.210 6.585 1.851) 10.686 3.956 ( 5.245 -6.058 4.031) 8.969 3.956 ( 5.245 6.058 4.031) 8.969 4.286 ( 3.276 -2.549 -1.791) 4.520 4.286 ( 3.276 2.549 -1.791) 4.520 4.793 ( 3.048 -6.385 -0.283) 7.081 4.793 ( 3.048 6.385 -0.283) 7.081 4.941 ( 0.251 -3.962 -0.644) 4.022 4.941 ( 0.251 3.962 -0.644) 4.022 5.185 ( -5.147 -1.115 -4.100) 6.674 5.185 ( -5.147 1.115 -4.100) 6.674 6.269 ( -1.704 -4.862 -1.003) 5.249 6.269 ( -1.704 4.862 -1.003) 5.249 6.699 ( 11.017 -2.306 -0.608) 11.272 6.699 ( 11.017 2.306 -0.608) 11.272 7.097 ( -0.580 -1.585 -1.053) 1.989 7.097 ( -0.580 1.585 -1.053) 1.989 7.698 ( -2.424 -4.083 2.978) 5.605 7.698 ( -2.424 4.083 2.978) 5.605 8.426 ( 1.005 -5.760 3.094) 6.615 8.426 ( 1.005 5.760 3.094) 6.615 8.608 ( -10.111 -8.253 -3.674) 13.558 8.608 ( -10.111 8.253 -3.674) 13.558 9.140 ( -3.539 -6.604 0.263) 7.498 9.140 ( -3.539 6.604 0.263) 7.498 9.436 ( -2.354 -4.110 2.181) 5.214 9.436 ( -2.354 4.110 2.181) 5.214 10.301 ( 8.807 -2.588 2.617) 9.545 10.301 ( 8.807 2.588 2.617) 9.545 10.796 ( -0.266 -2.092 -1.372) 2.516 10.796 ( -0.266 2.092 -1.372) 2.516 12.847 ( 3.113 -2.662 -0.324) 4.109 12.847 ( 3.113 2.662 -0.324) 4.109 13.746 ( 25.521 -6.610 -7.816) 27.497 13.746 ( 25.521 6.610 -7.816) 27.497 15.215 ( 1.170 -2.213 -4.850) 5.458 15.215 ( 1.170 2.213 -4.850) 5.458 15.671 ( 6.463 -4.240 3.366) 8.431 15.671 ( 6.463 4.240 3.366) 8.431 18.549 ( -22.297 -6.852 7.155) 24.399 18.549 ( -22.297 6.852 7.155) 24.399 20.976 ( 1.708 -1.464 -1.711) 2.826 20.976 ( 1.708 1.464 -1.711) 2.826 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 6.779 -5.572 5.267) 10.234 1.552 ( 6.779 5.572 5.267) 10.234 1.866 ( 1.846 -1.610 3.319) 4.125 1.866 ( 1.846 1.610 3.319) 4.125 1.963 ( 5.054 -2.557 0.518) 5.688 1.963 ( 5.054 2.557 0.518) 5.688 2.196 ( 3.191 -6.187 -1.766) 7.182 2.196 ( 3.191 6.187 -1.766) 7.182 2.395 ( -3.333 -3.810 -8.244) 9.674 2.395 ( -3.333 3.810 -8.244) 9.674 2.475 ( -2.003 -0.992 0.723) 2.349 2.475 ( -2.003 0.992 0.723) 2.349 3.229 ( -9.154 -6.940 5.018) 12.535 3.229 ( -9.154 6.940 5.018) 12.535 3.418 ( -13.088 -7.505 -1.510) 15.162 3.418 ( -13.088 7.505 -1.510) 15.162 3.602 ( -1.506 -2.637 0.647) 3.105 3.602 ( -1.506 2.637 0.647) 3.105 4.042 ( 1.655 -8.260 0.890) 8.471 4.042 ( 1.655 8.260 0.890) 8.471 4.333 ( 2.437 -5.931 0.300) 6.419 4.333 ( 2.437 5.931 0.300) 6.419 4.817 ( 1.472 -4.373 -2.049) 5.049 4.817 ( 1.472 4.373 -2.049) 5.049 4.954 ( 0.908 -6.540 1.061) 6.687 4.954 ( 0.908 6.540 1.061) 6.687 5.086 ( -2.387 -3.576 -1.225) 4.471 5.086 ( -2.387 3.576 -1.225) 4.471 6.235 ( -1.053 -4.240 -0.856) 4.452 6.235 ( -1.053 4.240 -0.856) 4.452 6.856 ( 10.359 -2.958 -3.587) 11.354 6.856 ( 10.359 2.958 -3.587) 11.354 7.091 ( -0.689 -4.447 2.019) 4.933 7.091 ( -0.689 4.447 2.019) 4.933 7.681 ( -2.501 -2.704 1.517) 3.983 7.681 ( -2.501 2.704 1.517) 3.983 8.382 ( -7.534 -6.555 -1.008) 10.037 8.382 ( -7.534 6.555 -1.008) 10.037 8.521 ( 0.054 -6.026 1.570) 6.228 8.521 ( 0.054 6.026 1.570) 6.228 9.060 ( -4.604 -6.013 -0.427) 7.585 9.060 ( -4.604 6.013 -0.427) 7.585 9.441 ( -1.233 -5.344 1.736) 5.752 9.441 ( -1.233 5.344 1.736) 5.752 10.469 ( 7.598 -3.025 3.439) 8.872 10.469 ( 7.598 3.025 3.439) 8.872 10.757 ( -0.927 -1.092 -3.258) 3.559 10.757 ( -0.927 1.092 -3.258) 3.559 12.913 ( 3.422 -1.219 1.744) 4.029 12.913 ( 3.422 1.219 1.744) 4.029 14.075 ( 22.684 -3.412 -3.962) 23.279 14.075 ( 22.684 3.412 -3.962) 23.279 15.217 ( 5.274 -5.378 -3.428) 8.276 15.217 ( 5.274 5.378 -3.428) 8.276 15.841 ( 8.876 -6.639 4.402) 11.927 15.841 ( 8.876 6.639 4.402) 11.927 18.191 ( -26.959 -7.214 0.723) 27.917 18.191 ( -26.959 7.214 0.723) 27.917 20.989 ( 1.516 -1.157 -0.591) 1.996 20.989 ( 1.516 1.157 -0.591) 1.996 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 2.759 -2.653 5.332) 6.564 1.706 ( 2.759 2.653 5.332) 6.564 1.867 ( -1.181 -1.071 0.961) 1.862 1.867 ( -1.181 1.071 0.961) 1.862 2.078 ( 6.521 -3.227 -0.911) 7.333 2.078 ( 6.521 3.227 -0.911) 7.333 2.197 ( 1.199 -7.493 -4.890) 9.028 2.197 ( 1.199 7.493 -4.890) 9.028 2.337 ( 3.928 -7.277 -0.854) 8.314 2.337 ( 3.928 7.277 -0.854) 8.314 2.446 ( -4.582 -3.305 2.032) 6.004 2.446 ( -4.582 3.305 2.032) 6.004 3.154 ( -6.523 -5.487 2.805) 8.973 3.154 ( -6.523 5.487 2.805) 8.973 3.198 ( -10.319 -7.153 -0.840) 12.584 3.198 ( -10.319 7.153 -0.840) 12.584 3.580 ( 1.172 -3.811 -4.486) 6.002 3.580 ( 1.172 3.811 -4.486) 6.002 4.045 ( -0.560 -8.090 -0.749) 8.144 4.045 ( -0.560 8.090 -0.749) 8.144 4.358 ( 0.236 -6.879 1.568) 7.059 4.358 ( 0.236 6.879 1.568) 7.059 4.816 ( 2.256 -3.564 -2.836) 5.082 4.816 ( 2.256 3.564 -2.836) 5.082 4.966 ( 0.113 -5.480 -1.230) 5.617 4.966 ( 0.113 5.480 -1.230) 5.617 5.085 ( -0.495 -4.088 3.650) 5.502 5.085 ( -0.495 4.088 3.650) 5.502 6.224 ( -0.254 -3.567 1.324) 3.813 6.224 ( -0.254 3.567 1.324) 3.813 6.928 ( 5.542 -6.566 -5.922) 10.435 6.928 ( 5.542 6.566 -5.922) 10.435 7.121 ( 0.628 -7.228 2.099) 7.552 7.121 ( 0.628 7.228 2.099) 7.552 7.668 ( -0.980 -2.642 1.705) 3.293 7.668 ( -0.980 2.642 1.705) 3.293 8.262 ( -6.123 -3.766 0.039) 7.188 8.262 ( -6.123 3.766 0.039) 7.188 8.532 ( -0.091 -3.006 -0.161) 3.012 8.532 ( -0.091 3.006 -0.161) 3.012 9.013 ( -1.043 -4.829 0.038) 4.941 9.013 ( -1.043 4.829 0.038) 4.941 9.418 ( -2.241 -3.834 -0.622) 4.484 9.418 ( -2.241 3.834 -0.622) 4.484 10.570 ( 2.467 -3.074 -3.913) 5.554 10.570 ( 2.467 3.074 -3.913) 5.554 10.749 ( 1.497 -0.868 4.943) 5.238 10.749 ( 1.497 0.868 4.943) 5.238 12.975 ( 1.507 -0.523 1.569) 2.238 12.975 ( 1.507 0.523 1.569) 2.238 14.368 ( 11.602 -13.221 7.054) 18.952 14.368 ( 11.602 13.221 7.054) 18.952 15.298 ( 8.870 -10.989 -3.905) 14.652 15.298 ( 8.870 10.989 -3.905) 14.652 16.035 ( 7.683 -5.857 4.418) 10.623 16.035 ( 7.683 5.857 4.418) 10.623 17.741 ( -21.845 -6.411 -8.105) 24.167 17.741 ( -21.845 6.411 -8.105) 24.167 21.011 ( 0.906 -0.699 0.834) 1.416 21.011 ( 0.906 0.699 0.834) 1.416 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -4.587 -7.196 -1.267) 8.627 1.692 ( -4.587 7.196 -1.267) 8.627 1.925 ( 1.233 -0.560 4.860) 5.045 1.925 ( 1.233 0.560 4.860) 5.045 2.103 ( 0.374 -4.345 -2.752) 5.157 2.103 ( 0.374 4.345 -2.752) 5.157 2.227 ( 6.766 -3.391 -3.754) 8.448 2.227 ( 6.766 3.391 -3.754) 8.448 2.341 ( -7.425 -2.921 1.887) 8.199 2.341 ( -7.425 2.921 1.887) 8.199 2.428 ( 3.043 -5.580 2.462) 6.816 2.428 ( 3.043 5.580 2.462) 6.816 3.030 ( -3.860 -5.267 -2.861) 7.130 3.030 ( -3.860 5.267 -2.861) 7.130 3.170 ( 1.103 -1.681 3.353) 3.909 3.170 ( 1.103 1.681 3.353) 3.909 3.520 ( 0.986 -3.228 -9.736) 10.305 3.520 ( 0.986 3.228 -9.736) 10.305 4.044 ( 1.070 -7.920 0.801) 8.032 4.044 ( 1.070 7.920 0.801) 8.032 4.399 ( 0.251 -6.440 4.781) 8.024 4.399 ( 0.251 6.440 4.781) 8.024 4.814 ( 1.263 -1.867 -3.322) 4.014 4.814 ( 1.263 1.867 -3.322) 4.014 4.927 ( -1.158 -7.200 -3.856) 8.249 4.927 ( -1.158 7.200 -3.856) 8.249 5.126 ( -0.400 -3.004 4.808) 5.683 5.126 ( -0.400 3.004 4.808) 5.683 6.260 ( 0.341 -3.940 4.471) 5.969 6.260 ( 0.341 3.940 4.471) 5.969 6.925 ( 3.452 -6.731 -6.798) 10.170 6.925 ( 3.452 6.731 -6.798) 10.170 7.126 ( -1.719 -5.920 0.029) 6.164 7.126 ( -1.719 5.920 0.029) 6.164 7.681 ( -1.151 -3.893 2.814) 4.940 7.681 ( -1.151 3.893 2.814) 4.940 8.206 ( 0.079 -2.912 -0.240) 2.923 8.206 ( 0.079 2.912 -0.240) 2.923 8.519 ( -0.537 -3.254 -1.201) 3.510 8.519 ( -0.537 3.254 -1.201) 3.510 9.010 ( -0.006 -4.805 0.303) 4.814 9.010 ( -0.006 4.805 0.303) 4.814 9.373 ( -0.508 -2.623 -2.626) 3.746 9.373 ( -0.508 2.623 -2.626) 3.746 10.506 ( -0.900 -2.244 -6.182) 6.638 10.506 ( -0.900 2.244 -6.182) 6.638 10.864 ( 0.780 -1.258 8.336) 8.467 10.864 ( 0.780 1.258 8.336) 8.467 12.993 ( -1.123 -0.127 1.178) 1.632 12.993 ( -1.123 0.127 1.178) 1.632 14.609 ( 0.513 -15.356 17.923) 23.607 14.609 ( 0.513 15.356 17.923) 23.607 15.372 ( 4.078 -13.129 -2.887) 14.048 15.372 ( 4.078 13.129 -2.887) 14.048 16.107 ( -6.603 -8.405 2.517) 10.981 16.107 ( -6.603 8.405 2.517) 10.981 17.417 ( 3.081 -2.921 -16.707) 17.238 17.417 ( 3.081 2.921 -16.707) 17.238 21.035 ( 0.091 -0.561 1.874) 1.959 21.035 ( 0.091 0.561 1.874) 1.959 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -3.115 -7.944 0.679) 8.560 1.617 ( -3.115 7.944 0.679) 8.560 1.929 ( -3.473 -1.983 -1.304) 4.206 1.929 ( -3.473 1.983 -1.304) 4.206 2.024 ( -8.566 -1.571 0.600) 8.729 2.024 ( -8.566 1.571 0.600) 8.729 2.210 ( -0.640 -4.137 -1.727) 4.529 2.210 ( -0.640 4.137 -1.727) 4.529 2.372 ( 5.333 -1.523 1.583) 5.768 2.372 ( 5.333 1.523 1.583) 5.768 2.533 ( 4.299 -7.175 5.739) 10.144 2.533 ( 4.299 7.175 5.739) 10.144 2.972 ( 1.337 -3.720 -6.531) 7.634 2.972 ( 1.337 3.720 -6.531) 7.634 3.272 ( 7.495 -7.004 0.253) 10.261 3.272 ( 7.495 7.004 0.253) 10.261 3.438 ( 4.677 -6.584 -7.446) 10.984 3.438 ( 4.677 6.584 -7.446) 10.984 4.067 ( -1.384 -6.589 1.163) 6.833 4.067 ( -1.384 6.589 1.163) 6.833 4.440 ( -2.955 -5.927 4.752) 8.151 4.440 ( -2.955 5.927 4.752) 8.151 4.770 ( -1.073 -5.631 -4.085) 7.040 4.770 ( -1.073 5.631 -4.085) 7.040 4.893 ( 3.169 -2.693 -2.932) 5.089 4.893 ( 3.169 2.693 -2.932) 5.089 5.178 ( 0.241 -0.589 4.544) 4.588 5.178 ( 0.241 0.589 4.544) 4.588 6.316 ( -1.084 -4.602 5.370) 7.154 6.316 ( -1.084 4.602 5.370) 7.154 6.877 ( 0.692 -6.942 -8.388) 10.910 6.877 ( 0.692 6.942 -8.388) 10.910 7.090 ( -1.976 -5.876 0.802) 6.251 7.090 ( -1.976 5.876 0.802) 6.251 7.681 ( -2.515 -5.035 2.313) 6.086 7.681 ( -2.515 5.035 2.313) 6.086 8.274 ( 8.024 -5.600 0.680) 9.809 8.274 ( 8.024 5.600 0.680) 9.809 8.484 ( -1.617 -4.577 -2.115) 5.295 8.484 ( -1.617 4.577 -2.115) 5.295 9.020 ( 1.109 -5.074 0.270) 5.201 9.020 ( 1.109 5.074 0.270) 5.201 9.351 ( 1.598 -2.578 -2.852) 4.163 9.351 ( 1.598 2.578 -2.852) 4.163 10.430 ( -1.675 -1.747 -3.392) 4.167 10.430 ( -1.675 1.747 -3.392) 4.167 10.927 ( -3.203 -1.495 5.741) 6.742 10.927 ( -3.203 1.495 5.741) 6.742 12.974 ( -2.961 -1.227 1.889) 3.721 12.974 ( -2.961 1.227 1.889) 3.721 14.735 ( -14.476 -10.534 19.387) 26.388 14.735 ( -14.476 10.534 19.387) 26.388 15.361 ( -3.182 -8.523 1.861) 9.286 15.361 ( -3.182 8.523 1.861) 9.286 15.897 ( -14.588 -22.536 -2.975) 27.010 15.897 ( -14.588 22.536 -2.975) 27.010 17.492 ( 27.581 -12.602 -17.702) 35.112 17.492 ( 27.581 12.602 -17.702) 35.112 21.052 ( -0.781 -1.067 2.061) 2.449 21.052 ( -0.781 1.067 2.061) 2.449 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -2.537 -9.585 5.881) 11.528 1.613 ( -2.537 9.585 5.881) 11.528 1.832 ( -5.154 -3.222 -1.178) 6.191 1.832 ( -5.154 3.222 -1.178) 6.191 1.929 ( -3.969 -2.052 3.509) 5.681 1.929 ( -3.969 2.052 3.509) 5.681 2.197 ( 1.089 -3.767 -2.198) 4.495 2.197 ( 1.089 3.767 -2.198) 4.495 2.454 ( 2.071 -1.803 1.114) 2.963 2.454 ( 2.071 1.803 1.114) 2.963 2.656 ( 1.737 -5.922 4.438) 7.601 2.656 ( 1.737 5.922 4.438) 7.601 2.886 ( 3.926 -3.395 -13.972) 14.905 2.886 ( 3.926 3.395 -13.972) 14.905 3.393 ( 10.312 -2.257 -1.898) 10.726 3.393 ( 10.312 2.257 -1.898) 10.726 3.558 ( 9.615 -2.322 2.981) 10.331 3.558 ( 9.615 2.322 2.981) 10.331 3.994 ( -6.794 -1.203 -1.103) 6.987 3.994 ( -6.794 1.203 -1.103) 6.987 4.426 ( -3.580 -1.713 3.483) 5.280 4.426 ( -3.580 1.713 3.483) 5.280 4.716 ( 0.370 -7.964 -3.853) 8.855 4.716 ( 0.370 7.964 -3.853) 8.855 4.936 ( 3.101 -3.221 -0.936) 4.569 4.936 ( 3.101 3.221 -0.936) 4.569 5.239 ( 2.144 -2.028 3.038) 4.235 5.239 ( 2.144 2.028 3.038) 4.235 6.332 ( -2.667 -4.591 2.847) 6.025 6.332 ( -2.667 4.591 2.847) 6.025 6.760 ( -4.342 -4.201 -5.952) 8.481 6.760 ( -4.342 4.201 -5.952) 8.481 7.104 ( 2.132 -4.183 1.208) 4.848 7.104 ( 2.132 4.183 1.208) 4.848 7.657 ( -2.468 -5.434 0.619) 6.001 7.657 ( -2.468 5.434 0.619) 6.001 8.400 ( -2.221 -3.758 0.304) 4.376 8.400 ( -2.221 3.758 0.304) 4.376 8.488 ( 12.454 -9.672 0.066) 15.769 8.488 ( 12.454 9.672 0.066) 15.769 9.055 ( 3.279 -5.691 -0.585) 6.594 9.055 ( 3.279 5.691 -0.585) 6.594 9.356 ( 1.840 -2.234 -1.084) 3.090 9.356 ( 1.840 2.234 -1.084) 3.090 10.372 ( -3.369 -2.957 -0.292) 4.492 10.372 ( -3.369 2.957 -0.292) 4.492 10.890 ( -6.244 -2.234 1.646) 6.833 10.890 ( -6.244 2.234 1.646) 6.833 12.950 ( -3.223 -2.046 2.932) 4.814 12.950 ( -3.223 2.046 2.932) 4.814 14.496 ( -32.421 -1.968 7.712) 33.384 14.496 ( -32.421 1.968 7.712) 33.384 15.384 ( -0.403 -1.989 6.971) 7.260 15.384 ( -0.403 1.989 6.971) 7.260 15.681 ( -7.913 -17.942 -2.579) 19.778 15.681 ( -7.913 17.942 -2.579) 19.778 17.809 ( 31.514 -14.688 -12.912) 37.089 17.809 ( 31.514 14.688 -12.912) 37.089 21.054 ( -1.500 -1.636 1.402) 2.626 21.054 ( -1.500 1.636 1.402) 2.626 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -2.421 -9.086 7.298) 11.903 1.657 ( -2.421 9.086 7.298) 11.903 1.771 ( -1.854 -7.997 3.073) 8.765 1.771 ( -1.854 7.997 3.073) 8.765 1.978 ( 2.616 -1.557 4.019) 5.042 1.978 ( 2.616 1.557 4.019) 5.042 2.189 ( 1.033 -6.569 -2.205) 7.006 2.189 ( 1.033 6.569 -2.205) 7.006 2.426 ( -3.452 -4.403 -4.707) 7.312 2.426 ( -3.452 4.403 -4.707) 7.312 2.668 ( 1.316 -5.227 -3.677) 6.524 2.668 ( 1.316 5.227 -3.677) 6.524 2.854 ( 3.792 -3.225 -3.433) 6.047 2.854 ( 3.792 3.225 -3.433) 6.047 3.539 ( 8.373 -4.881 -0.713) 9.719 3.539 ( 8.373 4.881 -0.713) 9.719 3.704 ( 3.423 -5.909 0.809) 6.876 3.704 ( 3.423 5.909 0.809) 6.876 3.915 ( -1.585 -4.203 3.142) 5.482 3.915 ( -1.585 4.203 3.142) 5.482 4.405 ( -2.902 -5.080 1.566) 6.056 4.405 ( -2.902 5.080 1.566) 6.056 4.701 ( 1.994 -5.240 -2.945) 6.333 4.701 ( 1.994 5.240 -2.945) 6.333 4.958 ( 1.661 -4.266 -0.189) 4.581 4.958 ( 1.661 4.266 -0.189) 4.581 5.306 ( 3.189 -0.553 0.385) 3.259 5.306 ( 3.189 0.553 0.385) 3.259 6.305 ( -2.050 -2.829 -0.298) 3.506 6.305 ( -2.050 2.829 -0.298) 3.506 6.628 ( -5.832 -2.429 -2.318) 6.729 6.628 ( -5.832 2.429 -2.318) 6.729 7.168 ( 3.454 -5.093 1.022) 6.238 7.168 ( 3.454 5.093 1.022) 6.238 7.623 ( -1.915 -4.577 0.178) 4.965 7.623 ( -1.915 4.577 0.178) 4.965 8.343 ( -3.114 -3.723 -0.042) 4.854 8.343 ( -3.114 3.723 -0.042) 4.854 8.730 ( 13.211 -7.775 1.267) 15.381 8.730 ( 13.211 7.775 1.267) 15.381 9.107 ( 5.124 -5.016 -1.347) 7.296 9.107 ( 5.124 5.016 -1.347) 7.296 9.391 ( 2.625 -3.875 0.975) 4.781 9.391 ( 2.625 3.875 0.975) 4.781 10.290 ( -9.221 -5.153 2.311) 10.813 10.290 ( -9.221 5.153 2.311) 10.813 10.793 ( -4.402 -4.333 -1.479) 6.351 10.793 ( -4.402 4.333 -1.479) 6.351 12.943 ( -2.063 -2.263 3.620) 4.742 12.943 ( -2.063 2.263 3.620) 4.742 13.994 ( -31.337 -9.622 -1.558) 32.818 13.994 ( -31.337 9.622 -1.558) 32.818 15.442 ( 0.214 -8.704 0.955) 8.759 15.442 ( 0.214 8.704 0.955) 8.759 15.570 ( -5.573 -9.261 2.281) 11.047 15.570 ( -5.573 9.261 2.281) 11.047 18.177 ( 25.790 -14.651 -4.583) 30.014 18.177 ( 25.790 14.651 -4.583) 30.014 21.037 ( -1.707 -1.995 0.273) 2.640 21.037 ( -1.707 1.995 0.273) 2.640 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -3.897 -10.926 2.368) 11.839 1.651 ( -3.897 10.926 2.368) 11.839 1.841 ( -0.231 -13.880 3.505) 14.317 1.841 ( -0.231 13.880 3.505) 14.317 2.043 ( 2.835 -0.468 -1.606) 3.292 2.043 ( 2.835 0.468 -1.606) 3.292 2.175 ( 1.583 -9.545 -3.851) 10.413 2.175 ( 1.583 9.545 -3.851) 10.413 2.313 ( -1.471 -5.572 -1.859) 6.055 2.313 ( -1.471 5.572 -1.859) 6.055 2.630 ( 0.668 -1.705 -6.111) 6.379 2.630 ( 0.668 1.705 -6.111) 6.380 2.926 ( 1.654 -1.400 9.139) 9.393 2.926 ( 1.654 1.400 9.139) 9.393 3.637 ( 4.003 -8.049 0.419) 8.999 3.637 ( 4.003 8.049 0.419) 8.999 3.718 ( -0.942 -5.894 1.560) 6.170 3.718 ( -0.942 5.894 1.560) 6.170 3.968 ( 1.377 -5.166 2.054) 5.727 3.968 ( 1.377 5.166 2.054) 5.727 4.370 ( -1.653 -6.691 -0.995) 6.963 4.370 ( -1.653 6.691 -0.995) 6.963 4.683 ( -0.346 -1.421 -2.347) 2.766 4.683 ( -0.346 1.421 -2.347) 2.766 5.016 ( 4.103 -3.276 0.871) 5.322 5.016 ( 4.103 3.276 0.871) 5.322 5.336 ( 2.039 -3.047 -2.338) 4.349 5.336 ( 2.039 3.047 -2.338) 4.349 6.276 ( -0.304 -1.609 -0.648) 1.761 6.276 ( -0.304 1.609 -0.648) 1.761 6.532 ( -3.981 -2.475 -0.512) 4.715 6.532 ( -3.981 2.475 -0.512) 4.715 7.211 ( 1.690 -6.258 -1.682) 6.697 7.211 ( 1.690 6.258 -1.682) 6.697 7.614 ( -0.869 -3.862 2.608) 4.740 7.614 ( -0.869 3.862 2.608) 4.740 8.312 ( -1.357 -3.357 1.100) 3.784 8.312 ( -1.357 3.357 1.100) 3.784 8.874 ( 4.330 -5.444 -0.390) 6.967 8.874 ( 4.330 5.444 -0.390) 6.967 9.203 ( 7.495 -5.610 -2.675) 9.737 9.203 ( 7.495 5.610 -2.675) 9.737 9.467 ( 5.576 -7.138 1.563) 9.191 9.467 ( 5.576 7.138 1.563) 9.191 10.120 ( -14.723 -5.376 3.647) 16.092 10.120 ( -14.723 5.376 3.647) 16.092 10.749 ( 0.294 -7.198 -0.508) 7.222 10.749 ( 0.294 7.198 -0.508) 7.222 12.962 ( -1.258 -2.243 3.694) 4.501 12.962 ( -1.258 2.243 3.694) 4.501 13.526 ( -18.400 -13.687 -7.579) 24.152 13.526 ( -18.400 13.687 -7.579) 24.152 15.402 ( -1.905 -6.363 -3.356) 7.442 15.402 ( -1.905 6.363 -3.356) 7.442 15.546 ( -1.684 -5.200 1.693) 5.723 15.546 ( -1.684 5.200 1.693) 5.723 18.506 ( 14.686 -13.925 3.992) 20.628 18.506 ( 14.686 13.925 3.992) 20.628 21.009 ( -1.116 -1.993 -0.883) 2.449 21.009 ( -1.116 1.993 -0.883) 2.449 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -2.132 0.000 21.573) 21.678 0.954 ( 3.653 0.000 23.648) 23.928 1.617 ( -2.849 0.000 -17.238) 17.472 1.737 ( 0.274 0.000 -13.697) 13.700 1.748 ( -8.406 0.000 33.293) 34.338 2.029 ( -0.391 0.000 -1.616) 1.662 2.206 ( -0.235 0.000 -2.196) 2.209 2.456 ( -3.138 0.000 3.555) 4.742 2.499 ( -2.109 0.000 -2.202) 3.048 2.704 ( 1.338 0.000 -0.052) 1.339 2.765 ( 5.476 0.000 -7.245) 9.082 2.882 ( 2.968 0.000 6.323) 6.985 2.923 ( 4.690 0.000 -9.266) 10.385 3.110 ( -0.167 0.000 -7.640) 7.642 3.341 ( 3.681 0.000 8.009) 8.814 3.464 ( 1.098 0.000 -1.086) 1.544 3.589 ( 2.523 0.000 5.877) 6.396 3.746 ( -4.438 0.000 0.144) 4.440 3.941 ( -4.812 0.000 16.126) 16.829 4.062 ( 0.171 0.000 -6.844) 6.846 4.210 ( 0.604 0.000 0.544) 0.813 4.392 ( 5.929 0.000 5.597) 8.154 4.601 ( -5.924 0.000 -9.774) 11.429 4.926 ( 0.218 0.000 -9.538) 9.540 5.069 ( -4.978 0.000 1.199) 5.121 5.077 ( 8.948 0.000 0.228) 8.951 5.329 ( 3.182 0.000 -0.921) 3.312 5.400 ( -9.110 0.000 -7.290) 11.668 6.233 ( -5.522 0.000 -0.665) 5.562 6.388 ( 4.461 0.000 -9.179) 10.206 6.460 ( -3.470 0.000 5.644) 6.625 6.688 ( 5.270 0.000 -5.178) 7.388 6.808 ( 5.199 0.000 7.887) 9.446 7.024 ( -1.561 0.000 -2.227) 2.720 7.680 ( 1.691 0.000 2.611) 3.110 7.760 ( -3.595 0.000 -0.517) 3.632 8.015 ( 0.117 0.000 0.082) 0.143 8.107 ( -1.390 0.000 -3.182) 3.472 9.057 ( 1.952 0.000 2.103) 2.869 9.087 ( -8.250 0.000 2.558) 8.637 9.213 ( 5.825 0.000 -1.310) 5.971 9.279 ( 5.758 0.000 -0.722) 5.803 9.581 ( -8.139 0.000 5.902) 10.054 9.696 ( 6.946 0.000 6.360) 9.418 9.846 ( -9.965 0.000 -3.012) 10.410 9.937 ( -0.845 0.000 -2.383) 2.529 10.340 ( 4.180 0.000 16.765) 17.278 10.931 ( -0.728 0.000 -12.215) 12.236 12.849 ( 0.272 0.000 7.090) 7.096 13.120 ( 0.733 0.000 -6.151) 6.194 13.370 ( 7.385 0.000 16.278) 17.875 14.476 ( 5.027 0.000 -35.247) 35.604 14.847 ( -0.545 0.000 0.723) 0.906 14.900 ( -10.860 0.000 -6.763) 12.794 15.599 ( 6.092 0.000 1.490) 6.272 15.649 ( -9.072 0.000 -1.475) 9.191 17.979 ( 11.567 0.000 30.426) 32.551 18.704 ( -8.660 0.000 -9.184) 12.623 21.041 ( 0.325 0.000 -0.017) 0.326 21.110 ( -0.164 0.000 -3.200) 3.205 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 4.945 0.000 18.312) 18.968 1.301 ( 6.847 0.000 19.858) 21.006 1.416 ( 3.408 0.000 -15.580) 15.949 1.555 ( 2.225 0.000 -17.060) 17.204 1.980 ( 1.791 0.000 10.197) 10.353 2.033 ( -0.005 0.000 0.857) 0.857 2.303 ( 4.444 0.000 12.994) 13.733 2.404 ( -5.494 0.000 -0.300) 5.502 2.443 ( -3.088 0.000 2.917) 4.249 2.720 ( 0.516 0.000 -7.511) 7.529 2.722 ( -1.347 0.000 2.754) 3.066 2.912 ( 8.014 0.000 -11.184) 13.758 3.012 ( 4.936 0.000 4.571) 6.727 3.046 ( 3.485 0.000 -8.547) 9.230 3.384 ( -3.325 0.000 0.397) 3.349 3.396 ( -8.742 0.000 -5.878) 10.535 3.580 ( -6.260 0.000 -0.036) 6.261 3.710 ( -2.734 0.000 7.406) 7.895 3.912 ( -5.610 0.000 1.557) 5.822 4.019 ( -2.617 0.000 -0.028) 2.617 4.313 ( -0.233 0.000 11.324) 11.327 4.377 ( -8.847 0.000 -7.815) 11.804 4.579 ( 6.075 0.000 8.924) 10.795 4.698 ( -7.413 0.000 -13.319) 15.243 5.024 ( -1.653 0.000 1.024) 1.944 5.209 ( 7.846 0.000 -3.700) 8.675 5.298 ( 1.511 0.000 -2.591) 3.000 5.401 ( 3.561 0.000 2.451) 4.323 6.157 ( -4.549 0.000 2.413) 5.149 6.354 ( 1.743 0.000 -5.274) 5.554 6.451 ( -4.492 0.000 5.719) 7.272 6.727 ( 6.890 0.000 -7.138) 9.921 6.910 ( -5.984 0.000 -5.466) 8.105 6.952 ( 2.477 0.000 4.923) 5.511 7.680 ( -4.729 0.000 -1.051) 4.844 7.724 ( -0.657 0.000 3.499) 3.560 8.057 ( 3.911 0.000 1.740) 4.281 8.066 ( 0.315 0.000 -1.723) 1.751 8.939 ( -9.546 0.000 2.218) 9.800 9.069 ( -2.727 0.000 2.195) 3.501 9.232 ( -2.571 0.000 -0.420) 2.605 9.266 ( -6.652 0.000 -6.523) 9.317 9.544 ( 1.643 0.000 8.705) 8.859 9.662 ( -6.302 0.000 -0.706) 6.342 10.056 ( 19.553 0.000 4.209) 20.001 10.060 ( 13.258 0.000 -0.681) 13.276 10.599 ( 6.233 0.000 13.471) 14.843 10.761 ( -0.259 0.000 -14.229) 14.231 12.907 ( -2.308 0.000 6.466) 6.866 13.024 ( -3.486 0.000 -6.595) 7.459 13.599 ( -7.167 0.000 21.946) 23.087 13.883 ( -17.171 0.000 -36.732) 40.547 14.841 ( 1.943 0.000 1.257) 2.314 14.927 ( 6.562 0.000 3.810) 7.588 15.571 ( -2.028 0.000 -0.980) 2.253 15.675 ( 1.964 0.000 2.810) 3.428 18.490 ( 13.783 0.000 21.589) 25.613 18.507 ( 2.006 0.000 -16.078) 16.203 21.047 ( -0.354 0.000 0.935) 1.000 21.068 ( -0.839 0.000 -2.660) 2.789 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 6.354 0.000 -9.422) 11.364 1.355 ( 9.244 0.000 -9.563) 13.301 1.550 ( 7.111 0.000 8.325) 10.949 1.641 ( 8.133 0.000 14.062) 16.244 2.007 ( -6.041 0.000 2.870) 6.688 2.080 ( 3.588 0.000 0.800) 3.676 2.378 ( 0.753 0.000 2.310) 2.430 2.382 ( -5.394 0.000 0.092) 5.394 2.453 ( -3.978 0.000 1.374) 4.209 2.616 ( -3.259 0.000 -7.018) 7.738 2.716 ( -4.636 0.000 6.167) 7.715 2.917 ( 6.886 0.000 -10.293) 12.384 3.023 ( 5.813 0.000 -8.376) 10.195 3.038 ( -2.538 0.000 -2.410) 3.500 3.323 ( -2.800 0.000 -1.681) 3.266 3.333 ( 7.461 0.000 5.068) 9.020 3.542 ( -12.783 0.000 -5.018) 13.733 3.570 ( 1.082 0.000 3.182) 3.361 3.915 ( -1.104 0.000 3.060) 3.253 3.933 ( -9.168 0.000 -0.032) 9.168 4.156 ( -9.010 0.000 -4.869) 10.241 4.401 ( -3.399 0.000 9.164) 9.774 4.503 ( 1.162 0.000 -9.608) 9.678 4.756 ( 4.140 0.000 6.812) 7.971 5.039 ( 1.229 0.000 1.755) 2.143 5.236 ( 0.265 0.000 -2.928) 2.940 5.328 ( 4.049 0.000 -1.586) 4.348 5.433 ( -5.798 0.000 4.100) 7.101 6.149 ( -1.313 0.000 3.803) 4.024 6.330 ( -0.079 0.000 -1.242) 1.244 6.482 ( -1.339 0.000 9.229) 9.326 6.642 ( -4.157 0.000 -12.335) 13.016 6.829 ( 3.582 0.000 -3.486) 4.998 6.974 ( -3.092 0.000 -0.175) 3.097 7.594 ( -4.049 0.000 -1.378) 4.277 7.743 ( -0.882 0.000 2.525) 2.674 8.093 ( 3.885 0.000 0.956) 4.001 8.178 ( 7.257 0.000 3.546) 8.077 8.853 ( -4.438 0.000 1.853) 4.809 9.032 ( -9.765 0.000 -6.650) 11.815 9.075 ( 0.514 0.000 1.583) 1.664 9.126 ( -9.592 0.000 -0.126) 9.593 9.594 ( -0.682 0.000 -2.136) 2.243 9.722 ( 3.835 0.000 8.731) 9.536 10.211 ( 7.264 0.000 -5.010) 8.825 10.367 ( 12.055 0.000 5.040) 13.066 10.700 ( 10.985 0.000 -7.883) 13.521 10.823 ( 6.718 0.000 7.036) 9.728 12.868 ( -6.174 0.000 -7.012) 9.342 12.925 ( -3.222 0.000 4.625) 5.636 13.314 ( -10.447 0.000 -19.696) 22.295 13.654 ( -15.290 0.000 21.629) 26.487 14.909 ( 3.875 0.000 1.607) 4.195 15.094 ( 6.623 0.000 4.945) 8.266 15.505 ( -2.353 0.000 -5.243) 5.747 15.736 ( -1.159 0.000 6.153) 6.262 18.407 ( 11.393 0.000 -20.304) 23.282 18.866 ( 8.623 0.000 11.853) 14.658 21.030 ( -0.911 0.000 -1.297) 1.585 21.050 ( -1.264 0.000 1.879) 2.264 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 10.801 0.000 -12.606) 16.601 1.456 ( 13.553 0.000 -6.963) 15.237 1.803 ( 5.288 0.000 12.321) 13.408 1.855 ( 2.721 0.000 6.490) 7.037 1.931 ( -9.287 0.000 7.046) 11.658 2.015 ( -10.021 0.000 -2.966) 10.451 2.297 ( -2.070 0.000 0.258) 2.086 2.352 ( -3.130 0.000 -2.298) 3.883 2.402 ( -5.123 0.000 -1.060) 5.231 2.500 ( -0.229 0.000 -0.541) 0.588 2.719 ( -4.849 0.000 4.990) 6.958 2.856 ( -5.129 0.000 -4.420) 6.771 3.030 ( 5.044 0.000 -3.424) 6.097 3.049 ( 6.204 0.000 -5.551) 8.325 3.199 ( 5.934 0.000 -15.799) 16.877 3.462 ( 3.785 0.000 1.842) 4.209 3.481 ( 3.984 0.000 1.434) 4.234 3.684 ( -1.748 0.000 1.994) 2.652 3.749 ( -0.584 0.000 -6.027) 6.055 3.879 ( -3.840 0.000 -2.800) 4.752 4.020 ( -4.352 0.000 2.310) 4.927 4.428 ( -4.005 0.000 7.378) 8.394 4.519 ( 5.218 0.000 1.618) 5.463 4.850 ( 0.239 0.000 3.896) 3.903 5.068 ( -2.001 0.000 1.488) 2.494 5.157 ( -6.643 0.000 -1.252) 6.760 5.325 ( -9.872 0.000 2.652) 10.222 5.376 ( 4.019 0.000 -1.831) 4.417 6.180 ( -0.159 0.000 3.409) 3.413 6.308 ( -2.502 0.000 -1.799) 3.081 6.456 ( -1.716 0.000 -6.853) 7.064 6.596 ( -1.332 0.000 11.129) 11.209 6.865 ( 5.712 0.000 -4.208) 7.094 6.872 ( -5.463 0.000 -2.931) 6.199 7.522 ( -2.560 0.000 -1.855) 3.161 7.758 ( 0.884 0.000 -0.308) 0.936 8.210 ( 7.266 0.000 3.560) 8.091 8.355 ( 8.784 0.000 3.832) 9.584 8.792 ( -9.736 0.000 -6.087) 11.482 8.821 ( -2.586 0.000 1.654) 3.070 8.949 ( -11.501 0.000 0.007) 11.501 9.140 ( 3.724 0.000 0.975) 3.850 9.573 ( 0.934 0.000 -2.375) 2.552 9.752 ( -7.004 0.000 0.866) 7.057 10.305 ( 11.422 0.000 -0.299) 11.426 10.554 ( 4.239 0.000 5.121) 6.648 10.858 ( 12.347 0.000 -3.381) 12.802 10.963 ( 5.088 0.000 0.987) 5.183 12.704 ( -4.800 0.000 -4.033) 6.269 12.908 ( -3.451 0.000 1.790) 3.887 13.116 ( -0.659 0.000 -3.072) 3.142 13.618 ( -16.757 0.000 17.351) 24.122 14.994 ( 3.385 0.000 2.977) 4.508 15.224 ( 3.429 0.000 3.322) 4.774 15.398 ( -0.566 0.000 -7.299) 7.321 15.757 ( -5.162 0.000 6.195) 8.064 18.419 ( 16.924 0.000 -18.004) 24.710 19.026 ( 1.957 0.000 1.768) 2.637 21.014 ( -0.360 0.000 0.365) 0.512 21.050 ( -1.843 0.000 2.578) 3.169 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 13.593 0.000 -5.726) 14.750 1.595 ( 12.676 0.000 -7.106) 14.531 1.768 ( -9.713 0.000 3.141) 10.208 1.870 ( -6.042 0.000 7.783) 9.853 1.890 ( -3.497 0.000 0.002) 3.497 2.074 ( 4.591 0.000 7.802) 9.052 2.199 ( -3.919 0.000 -4.163) 5.718 2.210 ( -13.480 0.000 -0.997) 13.516 2.368 ( 2.087 0.000 1.308) 2.463 2.547 ( 0.368 0.000 1.554) 1.597 2.630 ( -6.955 0.000 -2.166) 7.285 2.748 ( -3.060 0.000 2.754) 4.117 3.057 ( 4.763 0.000 -9.494) 10.622 3.112 ( 7.728 0.000 -2.308) 8.065 3.233 ( 10.061 0.000 -6.938) 12.221 3.494 ( -1.890 0.000 -5.029) 5.373 3.524 ( -3.729 0.000 -5.607) 6.734 3.597 ( 10.145 0.000 -0.822) 10.179 3.752 ( -1.871 0.000 -7.458) 7.689 3.802 ( 3.094 0.000 4.783) 5.696 4.041 ( -2.015 0.000 3.102) 3.699 4.449 ( -2.724 0.000 4.971) 5.669 4.657 ( 4.184 0.000 6.429) 7.671 4.869 ( -1.641 0.000 2.058) 2.633 4.972 ( -9.734 0.000 1.637) 9.871 5.037 ( -5.104 0.000 -0.025) 5.104 5.249 ( -3.066 0.000 1.589) 3.453 5.404 ( 2.259 0.000 -2.689) 3.512 6.219 ( 0.082 0.000 -5.727) 5.727 6.219 ( 0.497 0.000 2.760) 2.804 6.454 ( 1.785 0.000 2.043) 2.713 6.566 ( -11.040 0.000 1.701) 11.171 6.847 ( 0.892 0.000 4.701) 4.785 6.919 ( 6.211 0.000 -2.822) 6.822 7.473 ( -0.780 0.000 -2.040) 2.184 7.737 ( -0.682 0.000 -4.923) 4.970 8.394 ( 8.953 0.000 4.990) 10.249 8.516 ( 6.526 0.000 -0.730) 6.566 8.625 ( -4.227 0.000 0.810) 4.304 8.737 ( -12.473 0.000 2.831) 12.790 8.835 ( -1.119 0.000 0.525) 1.236 9.178 ( 1.279 0.000 -2.273) 2.608 9.566 ( 1.721 0.000 -2.714) 3.213 9.613 ( -6.648 0.000 -2.755) 7.196 10.515 ( 8.840 0.000 5.630) 10.481 10.628 ( -1.732 0.000 5.048) 5.337 10.960 ( 6.193 0.000 -5.236) 8.110 11.015 ( 2.679 0.000 -2.771) 3.854 12.647 ( 0.359 0.000 0.458) 0.582 12.861 ( -2.864 0.000 -0.664) 2.940 13.147 ( 3.718 0.000 2.653) 4.568 13.492 ( -18.260 0.000 9.894) 20.768 15.084 ( 2.017 0.000 5.033) 5.422 15.278 ( 0.139 0.000 1.285) 1.292 15.373 ( 5.252 0.000 -2.595) 5.858 15.716 ( -6.201 0.000 3.158) 6.959 18.533 ( 17.320 0.000 -11.443) 20.758 18.984 ( -4.063 0.000 -5.699) 6.999 21.026 ( 0.502 0.000 1.522) 1.602 21.050 ( -1.730 0.000 2.680) 3.190 ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 13.245 0.000 -1.697) 13.353 1.614 ( -5.174 0.000 -5.265) 7.381 1.659 ( -13.097 0.000 3.400) 13.531 1.890 ( 11.250 0.000 -5.188) 12.389 1.903 ( -2.842 0.000 10.448) 10.827 2.014 ( -9.158 0.000 1.488) 9.278 2.109 ( 2.233 0.000 0.874) 2.398 2.180 ( 3.622 0.000 -6.178) 7.161 2.427 ( 1.062 0.000 4.368) 4.495 2.506 ( -4.557 0.000 -1.188) 4.710 2.563 ( -0.729 0.000 4.458) 4.517 2.824 ( 3.952 0.000 5.689) 6.927 2.960 ( -1.044 0.000 -13.195) 13.236 3.143 ( 2.963 0.000 -10.288) 10.707 3.296 ( 2.495 0.000 -0.550) 2.555 3.391 ( -7.298 0.000 -2.653) 7.765 3.441 ( 2.941 0.000 -1.429) 3.269 3.584 ( 0.009 0.000 -6.620) 6.620 3.842 ( 11.439 0.000 -1.019) 11.485 3.843 ( -10.581 0.000 -1.023) 10.631 4.074 ( 4.822 0.000 11.434) 12.409 4.418 ( -3.710 0.000 -2.633) 4.550 4.745 ( -0.995 0.000 5.740) 5.825 4.853 ( -2.653 0.000 0.888) 2.798 4.891 ( -1.305 0.000 2.895) 3.176 5.050 ( 7.251 0.000 -2.011) 7.524 5.234 ( -1.958 0.000 2.904) 3.503 5.384 ( 0.178 0.000 -3.941) 3.945 6.223 ( -2.657 0.000 -1.859) 3.242 6.223 ( 5.354 0.000 -2.194) 5.786 6.419 ( -7.913 0.000 4.466) 9.086 6.512 ( 2.677 0.000 1.315) 2.983 6.907 ( -0.678 0.000 3.708) 3.770 7.001 ( 6.289 0.000 -1.003) 6.369 7.456 ( 0.848 0.000 -0.640) 1.063 7.626 ( -3.155 0.000 -7.784) 8.399 8.498 ( -3.603 0.000 1.016) 3.744 8.548 ( -3.985 0.000 -0.577) 4.026 8.604 ( -0.831 0.000 7.837) 7.881 8.722 ( 8.697 0.000 1.115) 8.768 8.854 ( 0.432 0.000 3.424) 3.451 9.122 ( -2.635 0.000 -5.508) 6.106 9.506 ( -3.230 0.000 -2.025) 3.812 9.570 ( 2.992 0.000 -3.038) 4.264 10.631 ( -5.341 0.000 6.525) 8.432 10.685 ( 2.845 0.000 7.761) 8.266 10.944 ( 0.826 0.000 -6.922) 6.971 10.985 ( -1.025 0.000 -5.303) 5.401 12.711 ( 4.676 0.000 2.264) 5.195 12.803 ( -2.402 0.000 -2.553) 3.506 13.273 ( -17.212 0.000 3.966) 17.663 13.311 ( 12.988 0.000 4.360) 13.701 15.159 ( -0.205 0.000 5.225) 5.229 15.261 ( -3.110 0.000 0.164) 3.114 15.499 ( 8.405 0.000 3.725) 9.194 15.636 ( -5.353 0.000 -1.056) 5.457 18.695 ( 13.930 0.000 -5.120) 14.841 18.775 ( -11.043 0.000 -9.456) 14.538 21.054 ( -1.124 0.000 1.986) 2.282 21.060 ( 1.334 0.000 1.644) 2.117 ======================= Grid point 195 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -21.434 0.000 -0.296) 21.436 1.366 ( -15.426 0.000 -5.873) 16.507 1.761 ( 9.304 0.000 1.630) 9.446 1.947 ( -3.260 0.000 8.638) 9.233 2.029 ( 5.845 0.000 3.699) 6.917 2.090 ( 15.262 0.000 -1.887) 15.378 2.152 ( 5.204 0.000 -7.257) 8.930 2.260 ( 8.592 0.000 2.017) 8.826 2.401 ( -5.998 0.000 -1.388) 6.157 2.477 ( -0.093 0.000 2.919) 2.920 2.607 ( -8.441 0.000 7.571) 11.339 2.760 ( -1.768 0.000 -15.046) 15.149 2.957 ( 4.223 0.000 5.045) 6.579 3.029 ( -0.845 0.000 -6.876) 6.927 3.249 ( -4.341 0.000 -5.579) 7.069 3.295 ( -2.532 0.000 0.768) 2.646 3.509 ( -0.522 0.000 2.582) 2.635 3.557 ( 3.079 0.000 -3.492) 4.655 3.626 ( -5.192 0.000 -0.147) 5.194 3.951 ( 1.904 0.000 0.432) 1.953 4.276 ( -4.654 0.000 -8.305) 9.520 4.335 ( 9.167 0.000 10.563) 13.986 4.789 ( -5.598 0.000 0.122) 5.600 4.807 ( 1.062 0.000 5.894) 5.989 5.003 ( 9.296 0.000 1.635) 9.439 5.165 ( 11.781 0.000 -5.739) 13.104 5.253 ( -1.087 0.000 4.471) 4.601 5.329 ( -1.228 0.000 -4.082) 4.262 6.105 ( -5.845 0.000 -1.808) 6.119 6.311 ( 6.675 0.000 -1.666) 6.880 6.419 ( -1.995 0.000 6.185) 6.499 6.577 ( 4.778 0.000 0.600) 4.816 6.887 ( -3.949 0.000 -1.106) 4.101 7.069 ( 4.088 0.000 -3.418) 5.329 7.498 ( 2.405 0.000 3.667) 4.386 7.510 ( -0.990 0.000 -4.952) 5.050 8.418 ( -9.969 0.000 3.787) 10.664 8.448 ( -5.860 0.000 2.465) 6.358 8.710 ( 5.390 0.000 -1.046) 5.491 8.868 ( 9.459 0.000 -1.719) 9.614 8.923 ( -0.586 0.000 8.105) 8.126 8.993 ( -3.245 0.000 -6.869) 7.597 9.457 ( -1.860 0.000 0.302) 1.884 9.600 ( 4.720 0.000 -2.458) 5.322 10.616 ( -7.558 0.000 9.160) 11.876 10.767 ( -5.899 0.000 6.438) 8.732 10.850 ( -6.985 0.000 -7.615) 10.333 10.878 ( 3.053 0.000 -4.438) 5.386 12.714 ( -4.100 0.000 -3.436) 5.350 12.822 ( 6.305 0.000 1.478) 6.476 13.102 ( -8.035 0.000 4.000) 8.976 13.667 ( 24.238 0.000 3.738) 24.524 15.189 ( -5.853 0.000 0.319) 5.862 15.197 ( -1.995 0.000 4.982) 5.367 15.511 ( -5.226 0.000 -6.350) 8.224 15.691 ( 8.227 0.000 5.931) 10.142 18.422 ( -19.404 0.000 -9.412) 21.566 18.849 ( 9.128 0.000 -1.012) 9.184 21.057 ( -0.533 0.000 0.704) 0.883 21.101 ( 1.899 0.000 0.779) 2.053 ======================= Grid point 196 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -19.141 0.000 -2.365) 19.286 1.048 ( -21.586 0.000 8.353) 23.146 1.882 ( 1.409 0.000 2.934) 3.254 2.045 ( 4.893 0.000 3.063) 5.773 2.161 ( 6.120 0.000 -1.366) 6.271 2.169 ( 3.005 0.000 -4.178) 5.147 2.232 ( -19.956 0.000 3.423) 20.247 2.251 ( 0.898 0.000 4.111) 4.208 2.342 ( 6.092 0.000 -4.848) 7.786 2.483 ( 2.237 0.000 -1.811) 2.878 2.525 ( -3.610 0.000 6.505) 7.440 2.653 ( 5.338 0.000 -4.267) 6.834 2.960 ( -3.565 0.000 -3.754) 5.177 3.052 ( 2.428 0.000 0.274) 2.443 3.145 ( 0.073 0.000 -4.799) 4.800 3.268 ( -1.927 0.000 4.158) 4.583 3.542 ( 5.727 0.000 3.834) 6.892 3.556 ( -0.808 0.000 -1.800) 1.973 3.737 ( 11.512 0.000 0.967) 11.552 3.908 ( -4.928 0.000 -3.064) 5.803 4.147 ( -0.509 0.000 -5.389) 5.412 4.562 ( 8.073 0.000 3.867) 8.952 4.677 ( -7.144 0.000 -2.078) 7.441 4.897 ( 1.953 0.000 4.218) 4.649 5.147 ( 4.955 0.000 1.505) 5.178 5.229 ( 0.435 0.000 -7.190) 7.204 5.289 ( 0.504 0.000 2.259) 2.315 5.332 ( 10.590 0.000 -0.916) 10.630 6.061 ( 0.105 0.000 3.571) 3.573 6.369 ( 5.488 0.000 -5.408) 7.704 6.455 ( -0.955 0.000 3.709) 3.830 6.694 ( 6.599 0.000 3.722) 7.577 6.770 ( -6.425 0.000 -3.212) 7.183 7.037 ( 0.277 0.000 -8.421) 8.425 7.493 ( 2.586 0.000 -1.112) 2.815 7.600 ( 2.323 0.000 6.286) 6.702 8.331 ( -7.026 0.000 4.793) 8.505 8.340 ( -8.697 0.000 -0.931) 8.747 8.767 ( 5.936 0.000 -3.779) 7.037 8.905 ( 0.910 0.000 -3.443) 3.561 8.987 ( 7.932 0.000 -2.610) 8.351 8.994 ( -2.622 0.000 8.545) 8.939 9.451 ( -1.133 0.000 2.754) 2.978 9.671 ( 5.967 0.000 0.264) 5.973 10.559 ( -10.277 0.000 -5.294) 11.560 10.614 ( -12.976 0.000 5.305) 14.018 10.635 ( -12.972 0.000 1.556) 13.065 10.955 ( 5.962 0.000 0.378) 5.974 12.644 ( -0.768 0.000 -0.115) 0.776 12.946 ( 7.916 0.000 0.020) 7.916 13.092 ( -0.687 0.000 4.396) 4.449 14.099 ( 27.268 0.000 -4.055) 27.567 15.098 ( -6.600 0.000 2.650) 7.112 15.214 ( -2.047 0.000 3.987) 4.482 15.324 ( -5.796 0.000 -10.531) 12.020 15.901 ( 10.072 0.000 5.626) 11.537 17.957 ( -28.241 0.000 -3.610) 28.471 18.961 ( 4.854 0.000 1.034) 4.963 21.052 ( -0.117 0.000 -0.509) 0.522 21.134 ( 1.996 0.000 -0.597) 2.083 ======================= Grid point 197 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -17.846 0.000 8.069) 19.586 0.867 ( -18.772 0.000 15.530) 24.363 1.732 ( -35.037 0.000 22.092) 41.421 1.996 ( -1.533 0.000 -4.417) 4.676 2.008 ( -7.340 0.000 -2.389) 7.720 2.215 ( 6.027 0.000 -11.724) 13.183 2.240 ( 5.072 0.000 0.218) 5.077 2.354 ( 8.513 0.000 3.509) 9.207 2.444 ( 12.380 0.000 -3.346) 12.824 2.460 ( -1.094 0.000 -2.813) 3.019 2.599 ( 2.789 0.000 4.711) 5.475 2.811 ( 8.632 0.000 7.221) 11.254 2.849 ( -5.844 0.000 -0.132) 5.845 3.023 ( 0.296 0.000 -6.232) 6.239 3.186 ( 5.531 0.000 5.119) 7.536 3.385 ( 2.351 0.000 14.182) 14.375 3.488 ( -4.200 0.000 -2.058) 4.677 3.655 ( 9.432 0.000 -9.351) 13.282 3.750 ( -8.955 0.000 -3.289) 9.540 3.969 ( 13.174 0.000 2.397) 13.390 4.142 ( 4.784 0.000 -2.186) 5.259 4.515 ( -8.026 0.000 -4.365) 9.136 4.672 ( 5.870 0.000 -3.461) 6.815 4.931 ( -0.092 0.000 -1.353) 1.356 5.132 ( -3.513 0.000 -3.929) 5.270 5.182 ( -3.017 0.000 2.648) 4.014 5.315 ( 1.736 0.000 -1.023) 2.014 5.539 ( 12.913 0.000 0.707) 12.932 6.182 ( 5.336 0.000 8.043) 9.652 6.385 ( 6.572 0.000 -8.111) 10.440 6.453 ( -1.231 0.000 -2.043) 2.385 6.655 ( -5.406 0.000 2.026) 5.773 6.833 ( 0.740 0.000 3.127) 3.213 6.917 ( 1.994 0.000 -8.616) 8.844 7.546 ( 3.884 0.000 0.498) 3.916 7.696 ( 1.616 0.000 5.296) 5.537 8.176 ( -7.767 0.000 -2.885) 8.286 8.273 ( -5.832 0.000 1.516) 6.026 8.843 ( 6.249 0.000 0.565) 6.275 8.923 ( 3.863 0.000 -1.342) 4.089 9.037 ( -0.721 0.000 4.874) 4.927 9.084 ( 6.233 0.000 0.084) 6.233 9.481 ( 0.516 0.000 3.497) 3.535 9.809 ( 7.409 0.000 5.599) 9.287 10.215 ( -15.674 0.000 -10.999) 19.148 10.411 ( -17.030 0.000 1.737) 17.118 10.499 ( -14.851 0.000 5.091) 15.700 11.035 ( 5.056 0.000 -2.967) 5.863 12.680 ( 2.413 0.000 2.211) 3.273 13.065 ( 7.830 0.000 -2.138) 8.117 13.113 ( -0.601 0.000 -1.061) 1.220 14.401 ( 22.053 0.000 -13.014) 25.606 15.064 ( -2.915 0.000 -2.740) 4.000 15.147 ( -3.358 0.000 5.248) 6.231 15.219 ( -0.183 0.000 -0.678) 0.702 16.103 ( 10.552 0.000 -5.358) 11.834 17.514 ( -30.267 0.000 15.545) 34.025 19.023 ( 1.167 0.000 0.183) 1.181 21.044 ( 0.248 0.000 -1.046) 1.075 21.149 ( 1.557 0.000 -1.925) 2.476 ======================= Grid point 198 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -7.065 0.000 21.198) 22.345 0.772 ( -15.022 0.000 17.654) 23.180 1.567 ( -25.080 0.000 38.307) 45.787 1.841 ( -5.106 0.000 -9.793) 11.044 1.900 ( -1.417 0.000 -9.706) 9.809 2.108 ( -1.458 0.000 -9.193) 9.308 2.270 ( 1.905 0.000 -7.386) 7.628 2.450 ( -1.516 0.000 4.667) 4.907 2.490 ( 5.380 0.000 -1.273) 5.528 2.652 ( 14.397 0.000 -1.832) 14.513 2.682 ( 2.889 0.000 -0.118) 2.892 2.799 ( -2.666 0.000 5.388) 6.011 2.964 ( 1.899 0.000 -6.235) 6.517 3.046 ( 10.566 0.000 4.689) 11.560 3.347 ( -8.103 0.000 -4.542) 9.289 3.401 ( 5.133 0.000 9.108) 10.455 3.534 ( -3.185 0.000 6.855) 7.559 3.676 ( 9.398 0.000 -6.929) 11.677 3.727 ( 1.822 0.000 16.918) 17.016 4.121 ( 5.535 0.000 -5.391) 7.727 4.221 ( 5.811 0.000 -1.447) 5.989 4.346 ( -5.655 0.000 -3.400) 6.598 4.718 ( 6.112 0.000 -6.683) 9.056 4.888 ( 1.665 0.000 -3.519) 3.893 5.054 ( -2.324 0.000 -0.892) 2.489 5.137 ( -5.374 0.000 2.088) 5.765 5.318 ( 0.905 0.000 -1.754) 1.974 5.630 ( -1.449 0.000 -7.148) 7.293 6.317 ( -1.540 0.000 1.184) 1.943 6.401 ( 7.735 0.000 -10.047) 12.679 6.412 ( 0.585 0.000 3.428) 3.478 6.665 ( 0.568 0.000 6.596) 6.621 6.719 ( -1.647 0.000 -7.165) 7.352 7.002 ( 3.978 0.000 2.113) 4.505 7.617 ( 3.296 0.000 1.440) 3.597 7.772 ( 1.320 0.000 2.581) 2.899 8.054 ( -3.898 0.000 -1.720) 4.261 8.178 ( -4.198 0.000 -2.209) 4.744 8.984 ( 4.864 0.000 -0.408) 4.881 8.991 ( 7.143 0.000 7.208) 10.148 9.109 ( 5.979 0.000 0.548) 6.004 9.188 ( 4.715 0.000 2.146) 5.181 9.545 ( 2.163 0.000 3.698) 4.285 9.832 ( -15.198 0.000 -9.875) 18.124 10.015 ( 3.427 0.000 5.889) 6.814 10.138 ( -17.599 0.000 0.310) 17.602 10.219 ( -20.643 0.000 6.668) 21.694 11.035 ( 2.245 0.000 -7.792) 8.109 12.750 ( 2.111 0.000 4.990) 5.418 13.124 ( 4.335 0.000 4.611) 6.329 13.134 ( 5.124 0.000 -4.568) 6.865 14.535 ( 16.712 0.000 -17.530) 24.220 14.918 ( -5.369 0.000 -3.783) 6.568 15.159 ( -1.463 0.000 -10.485) 10.587 15.384 ( 11.314 0.000 11.388) 16.053 15.956 ( -11.513 0.000 -16.255) 19.919 17.520 ( -5.104 0.000 35.402) 35.768 18.947 ( -8.146 0.000 -5.396) 9.771 21.039 ( 0.487 0.000 -0.787) 0.926 21.140 ( 0.767 0.000 -2.858) 2.959 ======================= Grid point 199 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -2.981 8.378 17.149) 19.317 1.115 ( -1.726 11.638 20.075) 23.269 1.606 ( -3.476 -0.138 -17.292) 17.638 1.782 ( 1.415 3.895 -11.563) 12.283 1.892 ( -4.327 11.300 22.944) 25.939 2.014 ( -1.261 -1.106 -0.145) 1.684 2.216 ( 1.539 1.543 2.542) 3.348 2.396 ( -1.834 -5.082 1.590) 5.632 2.465 ( -1.341 -3.416 -4.286) 5.642 2.629 ( 3.335 -7.412 0.641) 8.153 2.707 ( 1.885 -1.701 0.853) 2.679 2.830 ( 1.077 -5.744 -0.286) 5.851 3.025 ( 5.604 8.381 -5.221) 11.353 3.176 ( -0.470 3.473 -11.395) 11.921 3.380 ( 3.391 4.010 7.972) 9.546 3.517 ( 0.323 5.070 -0.832) 5.148 3.556 ( 1.884 -2.459 6.375) 7.088 3.685 ( -1.656 -3.314 3.488) 5.088 3.871 ( -4.799 -6.276 13.214) 15.396 4.016 ( -1.162 -3.391 -6.992) 7.857 4.265 ( 0.627 4.145 -0.189) 4.196 4.360 ( 4.612 -2.184 3.185) 6.016 4.610 ( -3.902 -0.252 -5.783) 6.981 4.833 ( -3.717 -4.842 -6.206) 8.704 5.089 ( 2.043 2.084 0.886) 3.050 5.109 ( 3.337 0.492 -0.421) 3.400 5.315 ( 2.737 -1.574 -0.422) 3.185 5.429 ( -5.173 1.058 -8.175) 9.732 6.249 ( -4.132 0.925 0.109) 4.235 6.407 ( 2.295 1.333 -7.784) 8.224 6.467 ( -1.758 0.353 4.070) 4.447 6.648 ( 5.873 -2.136 -3.107) 6.979 6.853 ( 3.737 3.184 6.006) 7.757 7.019 ( -2.022 0.238 -0.609) 2.125 7.647 ( -0.234 -1.300 1.745) 2.189 7.761 ( -2.338 -1.095 -3.804) 4.597 8.080 ( -0.071 5.572 -0.364) 5.585 8.203 ( -0.650 8.188 -4.458) 9.346 9.003 ( -1.108 -5.965 5.569) 8.235 9.077 ( -5.068 -0.336 2.741) 5.771 9.174 ( 3.565 -1.428 -1.234) 4.034 9.287 ( 4.287 -1.250 -4.136) 6.087 9.509 ( 1.865 -3.351 7.856) 8.742 9.759 ( 2.463 2.277 2.872) 4.416 9.831 ( -14.128 -0.441 1.453) 14.209 10.016 ( 1.834 5.710 -1.487) 6.179 10.387 ( 3.679 5.425 13.976) 15.437 10.908 ( -0.780 -2.040 -11.137) 11.349 12.804 ( -0.478 -3.244 7.231) 7.940 13.067 ( 0.101 -4.319 -4.372) 6.146 13.295 ( 0.755 -5.353 11.402) 12.618 14.193 ( 3.856 -21.934 -30.676) 37.907 14.901 ( 3.871 7.237 2.624) 8.617 15.086 ( -6.724 9.453 -7.074) 13.587 15.604 ( -4.463 -1.551 1.759) 5.041 15.680 ( 0.006 3.216 -4.784) 5.764 18.086 ( 9.450 10.510 28.480) 31.794 18.763 ( -5.539 5.200 -8.120) 11.121 21.026 ( 0.237 -1.458 -0.055) 1.478 21.095 ( -0.084 -1.565 -3.205) 3.567 ======================= Grid point 200 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 6.982 4.953 18.118) 20.039 1.331 ( 1.261 2.723 14.396) 14.705 1.429 ( 4.655 2.567 -9.016) 10.467 1.653 ( 3.232 7.611 -16.390) 18.358 1.998 ( 0.061 -1.071 2.700) 2.905 2.040 ( 1.394 2.516 3.046) 4.189 2.305 ( -3.996 -2.718 2.517) 5.449 2.365 ( -3.246 -3.494 2.266) 5.280 2.441 ( 1.107 1.539 7.680) 7.910 2.647 ( 0.791 -5.777 -3.952) 7.045 2.723 ( -0.999 -1.033 1.959) 2.430 2.887 ( 5.447 -3.181 -0.623) 6.339 3.038 ( 2.145 0.738 -5.319) 5.783 3.067 ( 4.011 5.899 -6.226) 9.468 3.420 ( -7.737 3.007 -1.896) 8.515 3.441 ( -4.139 5.107 -3.081) 7.260 3.579 ( -3.361 0.552 -0.787) 3.496 3.690 ( -3.189 -1.458 6.536) 7.417 3.848 ( -4.814 -4.846 3.345) 7.606 3.972 ( -2.567 -4.571 1.297) 5.400 4.288 ( -2.168 0.027 -0.577) 2.243 4.424 ( 0.021 0.791 1.586) 1.773 4.595 ( 2.618 1.103 5.528) 6.215 4.672 ( -3.253 -0.082 -7.486) 8.163 5.059 ( -2.088 1.883 -0.435) 2.845 5.204 ( 5.712 -0.916 -3.258) 6.639 5.292 ( -1.221 -0.877 -3.234) 3.566 5.382 ( 2.937 -1.736 1.434) 3.701 6.181 ( -4.685 1.798 1.978) 5.393 6.384 ( 2.619 2.143 -3.927) 5.184 6.462 ( -3.277 1.177 3.901) 5.229 6.702 ( 6.505 -2.065 -6.776) 9.617 6.898 ( -5.868 0.387 -1.106) 5.983 7.000 ( 2.620 3.066 2.141) 4.566 7.652 ( -2.879 -1.955 1.292) 3.712 7.703 ( -0.576 -0.968 -0.010) 1.126 8.104 ( 1.203 4.720 0.701) 4.921 8.154 ( 0.942 6.846 -1.194) 7.013 8.926 ( -9.253 -1.226 3.422) 9.942 9.067 ( -2.370 -0.858 2.650) 3.657 9.163 ( -3.635 -5.014 0.459) 6.210 9.276 ( -3.495 0.266 -8.152) 8.874 9.507 ( -1.085 -2.943 6.532) 7.246 9.673 ( -5.936 -0.170 0.946) 6.013 10.036 ( 17.803 1.203 4.278) 18.350 10.168 ( 14.577 6.037 -0.237) 15.780 10.601 ( 4.327 0.873 12.267) 13.037 10.743 ( -1.408 -1.134 -13.167) 13.291 12.826 ( -5.313 -5.324 4.372) 8.700 13.061 ( 3.898 2.067 -2.941) 5.302 13.407 ( -7.777 -15.099 15.058) 22.698 13.801 ( -6.344 -6.906 -27.432) 28.991 14.939 ( -2.245 8.944 -2.067) 9.450 15.031 ( 5.756 6.494 3.689) 9.429 15.580 ( -1.277 0.095 1.700) 2.128 15.693 ( 2.935 1.528 0.124) 3.312 18.470 ( 2.404 1.983 8.789) 9.325 18.627 ( 6.078 7.752 -3.505) 10.456 21.026 ( -0.773 -1.823 0.419) 2.024 21.059 ( -0.146 -1.015 -2.161) 2.392 ======================= Grid point 201 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 8.958 6.211 -6.122) 12.502 1.457 ( 6.562 10.360 -2.519) 12.519 1.585 ( 5.840 3.369 2.728) 7.273 1.639 ( 7.845 -0.462 13.149) 15.318 1.990 ( -4.753 -1.646 2.672) 5.696 2.097 ( 1.752 1.223 0.372) 2.169 2.268 ( 0.165 -7.810 1.875) 8.034 2.330 ( -3.430 -5.495 0.048) 6.478 2.441 ( -7.362 -2.337 -2.069) 7.997 2.586 ( -2.771 -2.674 -4.902) 6.234 2.733 ( -2.379 -1.036 4.249) 4.978 2.914 ( 2.412 -0.486 -7.207) 7.616 3.009 ( 4.364 0.799 -6.486) 7.859 3.075 ( -0.597 2.558 -1.270) 2.918 3.287 ( -0.477 -0.443 0.291) 0.713 3.384 ( -5.440 2.525 -4.638) 7.582 3.567 ( -1.453 1.430 -2.118) 2.939 3.609 ( 2.183 6.552 5.744) 8.983 3.867 ( -3.102 -1.972 4.210) 5.589 3.893 ( -7.761 -4.508 -0.580) 8.994 4.174 ( -5.317 1.654 -4.289) 7.029 4.461 ( -3.366 3.031 6.239) 7.709 4.542 ( 3.137 3.690 -7.864) 9.236 4.759 ( 2.870 0.637 6.999) 7.591 5.042 ( 0.054 -0.013 0.579) 0.582 5.203 ( -0.945 -3.782 -1.935) 4.352 5.302 ( 2.252 -2.113 0.026) 3.088 5.387 ( -4.481 -4.019 0.819) 6.075 6.163 ( -1.002 0.949 2.644) 2.982 6.386 ( 0.049 4.886 -0.154) 4.889 6.478 ( -1.152 -0.335 4.221) 4.388 6.642 ( -1.730 0.020 -8.581) 8.754 6.825 ( 0.394 0.836 -1.493) 1.756 7.028 ( -0.716 4.281 -1.163) 4.494 7.602 ( -2.904 0.837 -0.238) 3.031 7.725 ( -0.175 -1.676 3.311) 3.715 8.111 ( 2.101 2.913 -0.752) 3.669 8.242 ( 5.798 4.806 3.896) 8.479 8.850 ( -4.974 -0.352 2.725) 5.682 9.009 ( -7.971 -4.061 -5.833) 10.679 9.037 ( -6.056 -1.991 -0.903) 6.439 9.145 ( -4.440 2.045 1.263) 5.049 9.532 ( 0.280 -5.153 -1.780) 5.459 9.719 ( 1.738 -0.942 7.483) 7.739 10.282 ( 9.060 5.505 -3.006) 11.019 10.398 ( 11.245 2.815 3.388) 12.077 10.647 ( 8.029 -3.818 -8.395) 12.228 10.794 ( 5.739 -2.825 7.021) 9.498 12.780 ( -2.493 -2.461 0.472) 3.535 13.082 ( 0.457 8.568 0.034) 8.581 13.285 ( -8.179 -4.205 -9.479) 13.207 13.591 ( -8.973 -2.395 10.654) 14.133 14.937 ( 3.562 3.680 -0.515) 5.147 15.163 ( 3.797 4.773 4.783) 7.751 15.571 ( -1.617 3.557 0.007) 3.907 15.747 ( 0.721 2.200 2.774) 3.613 18.390 ( 5.574 -1.150 -17.394) 18.302 18.840 ( 5.164 -2.412 8.329) 10.093 21.009 ( -0.938 -1.656 -0.275) 1.923 21.048 ( -0.638 -0.461 0.864) 1.169 ======================= Grid point 202 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 8.249 11.292 -11.515) 18.115 1.523 ( 12.191 6.378 -5.807) 14.933 1.799 ( 2.671 -0.594 11.404) 11.728 1.857 ( 3.120 0.206 6.132) 6.884 1.933 ( -7.130 -0.032 5.918) 9.266 2.012 ( -9.337 -0.231 -0.796) 9.374 2.273 ( -2.536 -2.974 0.431) 3.932 2.329 ( -1.431 -3.935 0.025) 4.187 2.338 ( 3.175 -5.617 0.613) 6.481 2.446 ( -6.416 -1.075 -4.328) 7.813 2.745 ( -3.558 -0.828 4.869) 6.087 2.802 ( -5.925 -3.360 -5.724) 8.897 3.057 ( 6.388 0.747 -2.865) 7.041 3.076 ( 3.697 3.941 -2.513) 5.960 3.192 ( 1.672 -1.877 -12.579) 12.828 3.328 ( 7.490 -3.477 -4.370) 9.343 3.600 ( 1.629 3.129 3.972) 5.312 3.689 ( -7.115 -2.789 -8.516) 11.442 3.723 ( -1.502 4.330 1.402) 4.793 3.925 ( 3.321 2.415 6.443) 7.640 4.054 ( -5.179 3.727 -1.845) 6.642 4.453 ( -3.829 1.987 4.118) 5.964 4.578 ( 5.406 4.874 0.883) 7.333 4.838 ( -0.488 -1.142 4.083) 4.267 5.032 ( -4.381 -3.858 -0.120) 5.839 5.139 ( -5.655 -1.694 0.914) 5.974 5.272 ( -6.365 -4.164 1.358) 7.726 5.359 ( 3.210 -1.775 -1.329) 3.902 6.194 ( 0.806 0.622 2.425) 2.631 6.342 ( -4.005 2.850 -5.038) 7.038 6.444 ( -0.060 0.158 -0.812) 0.830 6.641 ( -1.049 4.160 7.626) 8.750 6.817 ( 1.117 -0.863 -2.928) 3.251 6.977 ( -0.301 6.492 -3.846) 7.552 7.557 ( -2.513 2.827 -0.322) 3.796 7.755 ( 0.522 -0.498 0.852) 1.117 8.181 ( 6.093 -1.266 1.730) 6.459 8.396 ( 7.238 2.835 3.769) 8.639 8.763 ( -8.788 -2.818 -5.399) 10.692 8.824 ( -5.026 -0.251 1.812) 5.349 8.919 ( -8.661 -2.373 -0.496) 8.994 9.138 ( 1.496 -0.075 0.290) 1.525 9.526 ( 1.278 -4.165 -1.703) 4.678 9.736 ( -6.353 -1.736 1.037) 6.667 10.368 ( 9.192 5.429 -1.409) 10.768 10.577 ( 4.328 2.320 5.047) 7.042 10.765 ( 11.027 -7.525 -3.557) 13.816 10.936 ( 5.828 -3.506 1.501) 6.965 12.770 ( 0.987 6.330 -0.677) 6.443 13.083 ( -5.203 4.350 -6.926) 9.693 13.118 ( 1.509 11.079 5.622) 12.515 13.591 ( -11.513 -0.112 16.004) 19.715 15.023 ( 6.629 2.807 0.189) 7.201 15.257 ( 2.445 4.058 3.692) 6.006 15.524 ( -3.049 7.898 -1.498) 8.598 15.756 ( -4.126 1.624 3.344) 5.553 18.334 ( 12.487 -7.974 -17.564) 22.978 18.920 ( -0.722 -10.117 -0.166) 10.144 21.003 ( -0.056 -0.856 0.766) 1.150 21.050 ( -1.361 -0.124 2.173) 2.566 ======================= Grid point 203 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 10.333 6.906 -6.245) 13.909 1.643 ( 8.005 4.431 -5.378) 10.612 1.756 ( -6.515 -0.409 2.705) 7.067 1.877 ( -0.985 0.682 0.646) 1.361 1.930 ( -4.998 3.374 6.003) 8.509 2.056 ( 3.481 -1.480 8.105) 8.944 2.213 ( -5.810 1.281 -2.647) 6.512 2.241 ( -9.305 2.331 -0.560) 9.609 2.321 ( -0.780 -4.257 0.747) 4.392 2.436 ( 2.521 -7.890 -0.451) 8.295 2.645 ( -6.084 -0.444 -2.557) 6.615 2.720 ( -2.954 -2.016 2.965) 4.646 3.062 ( 3.816 -2.263 -10.657) 11.543 3.134 ( 5.942 3.230 -4.297) 8.013 3.214 ( 7.566 -0.434 -1.208) 7.674 3.457 ( 14.354 -3.900 -6.143) 16.093 3.504 ( -2.682 -2.073 -6.312) 7.165 3.613 ( -3.497 -2.818 0.084) 4.492 3.708 ( -1.518 7.130 1.353) 7.415 3.975 ( -2.197 4.599 -0.485) 5.120 4.001 ( -1.416 0.868 3.136) 3.549 4.454 ( -0.856 1.029 2.957) 3.246 4.704 ( 4.205 3.716 4.703) 7.322 4.846 ( -2.569 -2.754 0.935) 3.881 4.908 ( -7.916 -4.981 1.222) 9.432 5.043 ( -5.753 0.437 -0.229) 5.774 5.237 ( -1.496 -1.150 2.251) 2.937 5.387 ( 1.832 -1.866 -1.697) 3.117 6.205 ( 0.297 -1.124 -3.360) 3.555 6.264 ( 1.222 4.004 -0.884) 4.279 6.481 ( 1.239 2.361 3.759) 4.609 6.606 ( -9.536 4.574 2.362) 10.836 6.856 ( 3.609 1.010 2.451) 4.478 6.964 ( 3.313 4.243 -3.152) 6.238 7.515 ( -1.721 3.567 -0.881) 4.057 7.740 ( -0.838 0.272 -4.016) 4.112 8.335 ( 8.681 -4.604 3.371) 10.388 8.528 ( 3.759 0.260 -0.573) 3.811 8.608 ( -3.106 -1.712 1.194) 3.742 8.709 ( -11.827 -2.840 1.921) 12.314 8.841 ( -1.404 0.731 0.936) 1.839 9.156 ( 1.203 -2.028 -2.472) 3.417 9.527 ( 1.442 -3.431 -2.083) 4.265 9.606 ( -6.536 -1.019 -2.567) 7.096 10.518 ( 6.027 0.100 2.897) 6.688 10.662 ( -0.160 2.871 5.538) 6.240 10.863 ( 6.313 -7.242 -4.310) 10.530 11.010 ( 3.318 -1.986 -1.620) 4.193 12.779 ( 1.660 10.288 -1.759) 10.569 12.952 ( -3.197 5.428 -3.984) 7.454 13.267 ( 5.631 14.372 9.528) 18.140 13.554 ( -13.635 9.079 12.627) 20.683 15.130 ( 5.450 4.134 1.138) 6.934 15.349 ( 1.464 4.937 5.787) 7.746 15.447 ( -1.814 7.692 -3.494) 8.641 15.702 ( -5.179 -0.385 1.615) 5.439 18.394 ( 15.363 -13.529 -12.100) 23.779 18.827 ( -5.570 -15.203 -6.637) 17.499 21.024 ( 0.878 -0.106 1.658) 1.879 21.053 ( -1.527 0.189 2.497) 2.933 ======================= Grid point 204 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -10.734 -1.756 -2.090) 11.076 1.591 ( 10.366 2.164 -0.708) 10.613 1.761 ( -6.157 5.876 1.122) 8.585 1.914 ( 9.867 2.205 -3.631) 10.742 1.954 ( -0.519 4.565 6.439) 7.911 2.058 ( -8.077 4.211 1.899) 9.305 2.127 ( 1.712 1.881 1.555) 2.981 2.189 ( 3.623 0.783 -4.590) 5.899 2.324 ( -0.315 -8.538 2.843) 9.004 2.417 ( -1.806 -7.437 -2.365) 8.010 2.556 ( -3.686 -0.270 3.994) 5.442 2.795 ( 4.197 -3.097 4.796) 7.086 2.960 ( 0.114 -1.673 -13.146) 13.252 3.091 ( 0.149 -2.423 -10.745) 11.016 3.306 ( 1.106 2.377 1.132) 2.855 3.410 ( -0.785 -0.056 -3.944) 4.021 3.544 ( -2.913 6.115 0.344) 6.782 3.624 ( 3.018 3.235 -2.444) 5.055 3.741 ( 9.758 -6.940 1.816) 12.111 3.809 ( -11.598 -2.711 -2.609) 12.193 4.150 ( 7.374 5.913 8.535) 12.735 4.454 ( -1.859 3.454 -2.647) 4.732 4.739 ( -3.516 -0.790 3.069) 4.733 4.821 ( 1.655 -4.138 -0.394) 4.474 4.853 ( -3.907 -1.990 3.794) 5.798 5.017 ( 4.667 -1.848 -2.880) 5.787 5.253 ( -0.582 0.914 3.490) 3.654 5.376 ( 0.003 -1.258 -2.630) 2.915 6.210 ( 2.266 -0.541 -1.124) 2.587 6.256 ( -0.141 3.181 -3.176) 4.498 6.494 ( -6.501 6.812 4.532) 10.450 6.554 ( 2.732 4.006 2.707) 5.554 6.920 ( -0.017 1.119 2.143) 2.417 7.003 ( 5.023 0.498 -2.319) 5.555 7.491 ( -0.163 3.217 0.009) 3.221 7.647 ( -1.944 1.999 -6.671) 7.231 8.458 ( -0.973 -3.805 1.174) 4.099 8.519 ( -5.632 -2.885 -0.714) 6.369 8.567 ( -0.760 -3.271 7.313) 8.047 8.704 ( 7.347 -1.827 0.312) 7.577 8.854 ( -0.051 0.257 3.331) 3.342 9.103 ( -2.089 -1.635 -5.461) 6.071 9.495 ( -3.067 -1.222 -2.147) 3.938 9.538 ( 2.477 -3.128 -2.289) 4.599 10.583 ( -2.618 -3.092 4.553) 6.094 10.730 ( 1.442 0.724 4.593) 4.868 10.869 ( 0.087 -3.732 -3.619) 5.199 11.003 ( -0.825 0.210 -3.350) 3.456 12.786 ( -0.015 5.168 0.407) 5.184 12.886 ( 0.404 6.226 -4.223) 7.534 13.433 ( -11.665 19.429 8.955) 24.367 13.520 ( 10.622 20.145 7.064) 23.844 15.226 ( 3.026 5.022 3.464) 6.810 15.288 ( -9.387 3.529 1.043) 10.083 15.511 ( 4.631 0.309 2.678) 5.359 15.652 ( -0.070 2.736 -1.524) 3.133 18.532 ( 13.297 -16.012 -6.000) 21.661 18.601 ( -10.346 -17.187 -9.859) 22.353 21.055 ( -1.210 0.122 2.020) 2.358 21.064 ( 1.430 0.357 1.542) 2.133 ======================= Grid point 205 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -17.716 0.428 -0.638) 17.732 1.533 ( -16.996 8.765 -1.717) 19.200 1.762 ( 10.300 0.196 -0.596) 10.319 1.990 ( -3.275 3.514 7.125) 8.593 2.042 ( 4.240 1.335 4.114) 6.057 2.123 ( 13.544 2.529 -3.095) 14.121 2.171 ( 5.960 0.667 -6.087) 8.545 2.246 ( 3.483 -1.972 2.050) 4.497 2.343 ( 0.128 -3.252 -0.876) 3.371 2.399 ( 2.005 -6.999 1.529) 7.439 2.566 ( -8.331 -1.038 8.515) 11.958 2.777 ( -1.467 1.050 -15.039) 15.147 2.911 ( 3.380 -4.418 3.884) 6.785 2.987 ( 0.378 -3.354 -5.815) 6.724 3.220 ( -6.577 -1.481 -2.484) 7.185 3.333 ( -9.983 -0.364 0.315) 9.995 3.516 ( 5.197 0.695 -0.841) 5.311 3.555 ( -9.040 4.348 -1.551) 10.150 3.766 ( 8.724 7.744 -0.049) 11.665 3.931 ( 6.361 -1.663 2.794) 7.144 4.308 ( -4.878 3.670 -8.903) 10.795 4.358 ( 5.839 1.955 7.940) 10.048 4.764 ( 1.549 -4.782 4.675) 6.864 4.786 ( -5.331 -0.496 0.962) 5.440 4.963 ( 10.492 -3.250 1.811) 11.132 5.072 ( 6.420 -5.093 -4.089) 9.158 5.291 ( 0.391 0.913 2.751) 2.925 5.335 ( -0.889 0.186 -3.135) 3.264 6.127 ( -5.459 2.291 -2.051) 6.265 6.302 ( 5.322 -0.169 -1.260) 5.471 6.492 ( -1.788 6.576 4.857) 8.368 6.640 ( 5.014 5.989 1.906) 8.040 6.889 ( -3.737 -0.002 -2.210) 4.342 7.040 ( 2.558 -2.121 -3.447) 4.788 7.518 ( 1.234 1.993 2.366) 3.331 7.583 ( 2.570 6.236 -2.924) 7.351 8.366 ( -9.557 -4.589 2.062) 10.801 8.441 ( -5.432 -0.855 3.549) 6.545 8.675 ( 5.017 -3.376 -0.601) 6.077 8.835 ( 9.570 -3.715 -1.870) 10.434 8.908 ( -1.126 -1.052 7.208) 7.371 8.989 ( -2.364 0.021 -6.179) 6.616 9.446 ( -1.565 -1.212 0.167) 1.987 9.573 ( 4.532 -2.757 -1.518) 5.517 10.564 ( -6.760 -4.280 5.425) 9.667 10.769 ( -0.990 -6.170 -5.734) 8.481 10.814 ( -5.337 3.384 6.678) 9.194 10.913 ( -3.691 2.250 -3.714) 5.699 12.756 ( -3.968 4.172 -0.218) 5.762 12.885 ( 3.716 3.603 -1.242) 5.323 13.350 ( -6.587 25.760 5.901) 27.236 13.832 ( 18.838 16.158 2.240) 24.919 15.129 ( -10.516 -0.740 1.281) 10.619 15.312 ( 0.188 4.730 4.124) 6.278 15.534 ( -0.304 2.183 -0.909) 2.385 15.714 ( 6.709 3.474 0.799) 7.597 18.259 ( -17.523 -16.113 -9.298) 25.556 18.687 ( 10.209 -15.622 -1.965) 18.765 21.053 ( -0.934 -0.210 0.776) 1.232 21.104 ( 1.773 0.227 0.673) 1.910 ======================= Grid point 206 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -17.567 6.224 6.879) 19.866 1.249 ( -17.522 12.364 2.548) 21.596 1.894 ( 6.240 0.573 -0.661) 6.302 2.035 ( 2.760 -1.682 0.749) 3.318 2.155 ( 4.408 0.521 -1.033) 4.557 2.192 ( 4.064 -3.468 1.745) 5.620 2.233 ( -5.946 2.776 -0.397) 6.574 2.286 ( -11.868 4.508 1.341) 12.766 2.332 ( 6.303 -0.268 -2.282) 6.709 2.407 ( -1.457 -8.677 2.870) 9.255 2.482 ( 0.413 0.330 0.546) 0.760 2.671 ( 3.957 1.219 -2.765) 4.979 2.948 ( -4.246 -1.012 2.523) 5.042 2.985 ( 3.389 -5.249 -2.218) 6.630 3.123 ( -0.536 -1.549 -3.085) 3.493 3.245 ( -1.478 -3.905 1.865) 4.572 3.427 ( -2.158 2.090 -1.209) 3.238 3.689 ( 10.708 2.550 3.863) 11.666 3.836 ( 2.357 5.059 -4.256) 7.018 3.976 ( -2.765 5.816 0.169) 6.442 4.202 ( 4.540 6.438 -6.665) 10.319 4.525 ( 6.193 -3.192 3.493) 7.794 4.687 ( -6.774 0.826 -1.323) 6.951 4.865 ( 2.723 -4.194 4.235) 6.553 5.133 ( 7.117 -2.430 -0.153) 7.522 5.145 ( 8.151 -7.424 -1.844) 11.179 5.275 ( -1.807 -0.516 -1.400) 2.343 5.319 ( 0.305 -0.207 -0.295) 0.472 6.076 ( -0.244 1.682 2.763) 3.244 6.349 ( 4.102 -1.448 -4.041) 5.938 6.520 ( -0.439 5.824 2.531) 6.365 6.753 ( 0.358 3.896 2.934) 4.890 6.779 ( -0.043 2.556 -3.104) 4.021 6.993 ( -1.422 -2.926 -6.264) 7.059 7.562 ( 2.686 2.405 0.591) 3.653 7.671 ( 6.172 8.751 2.980) 11.115 8.248 ( -7.579 -4.991 0.842) 9.113 8.379 ( -6.565 1.109 3.096) 7.343 8.724 ( 4.854 -4.203 -3.219) 7.183 8.911 ( 1.749 -1.264 -2.435) 3.253 8.929 ( 1.106 -1.756 1.457) 2.536 9.008 ( 4.500 -0.233 3.414) 5.653 9.446 ( -0.287 -0.778 2.202) 2.353 9.655 ( 6.031 -1.915 1.408) 6.483 10.464 ( -10.879 -6.713 -0.153) 12.784 10.616 ( -11.992 0.017 0.568) 12.005 10.685 ( -13.021 3.504 -0.305) 13.488 10.933 ( 4.526 -2.030 0.878) 5.038 12.705 ( -2.000 5.779 1.597) 6.320 12.958 ( 4.889 0.764 1.118) 5.073 13.347 ( -0.677 22.941 1.729) 23.016 14.120 ( 18.800 2.355 -6.650) 20.080 14.987 ( -8.971 -1.536 1.575) 9.237 15.272 ( -6.349 1.718 -0.778) 6.624 15.575 ( 5.727 18.462 -1.832) 19.416 15.862 ( 8.794 -3.749 4.569) 10.596 17.848 ( -23.843 -10.452 -2.889) 26.193 18.810 ( 5.883 -13.895 0.808) 15.111 21.043 ( -0.462 -0.703 -0.436) 0.947 21.132 ( 1.629 -0.281 -0.671) 1.784 ======================= Grid point 207 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -11.823 14.313 13.470) 22.936 1.052 ( -15.564 15.129 9.356) 23.636 1.842 ( -28.149 10.639 15.641) 33.915 1.958 ( -3.999 -1.464 -2.704) 5.045 2.063 ( -3.823 1.783 -1.444) 4.458 2.177 ( 4.785 -3.820 -10.514) 12.167 2.257 ( 4.182 0.752 -1.094) 4.388 2.300 ( 4.996 -6.471 -0.239) 8.178 2.374 ( 4.114 -3.368 -0.215) 5.321 2.424 ( 4.063 -3.318 -0.860) 5.316 2.577 ( 7.095 -0.422 0.760) 7.148 2.799 ( 3.423 0.460 5.115) 6.172 2.900 ( -3.123 1.641 4.419) 5.654 2.993 ( 2.712 -1.250 -3.415) 4.536 3.135 ( 3.797 -3.061 2.974) 5.712 3.322 ( 4.418 -4.688 4.895) 8.091 3.435 ( 0.758 0.743 5.504) 5.606 3.761 ( 1.424 1.222 -7.509) 7.740 3.844 ( -4.194 8.326 -4.322) 10.276 3.986 ( 9.549 2.264 2.809) 10.208 4.216 ( 4.574 5.373 -7.045) 9.971 4.540 ( -7.437 2.147 -3.512) 8.500 4.637 ( 6.451 -2.563 -1.009) 7.015 4.900 ( -1.364 -2.939 0.464) 3.273 5.125 ( -1.726 -1.456 -5.066) 5.547 5.214 ( -1.679 1.359 -0.173) 2.167 5.308 ( 0.703 -0.902 -0.967) 1.498 5.373 ( 10.342 -11.576 4.255) 16.095 6.182 ( 5.010 0.064 7.408) 8.943 6.353 ( 4.156 -2.263 -6.504) 8.044 6.520 ( 0.149 5.379 -2.715) 6.027 6.660 ( -5.032 0.048 1.055) 5.142 6.861 ( -4.531 0.766 -2.733) 5.346 6.908 ( 5.727 3.161 0.106) 6.542 7.610 ( 2.347 1.647 0.121) 2.870 7.799 ( 6.280 8.572 0.198) 10.628 8.143 ( -3.725 -0.202 -1.738) 4.116 8.312 ( -5.530 2.662 1.785) 6.392 8.797 ( 6.781 -5.987 0.790) 9.080 8.930 ( 1.163 -0.503 0.497) 1.361 8.964 ( 1.124 -0.149 2.968) 3.177 9.124 ( 6.520 -0.010 1.702) 6.738 9.470 ( 0.509 -1.336 0.670) 1.579 9.805 ( 7.355 -1.549 5.234) 9.159 10.207 ( -15.274 -1.204 -4.490) 15.966 10.415 ( -17.546 -3.455 4.260) 18.384 10.451 ( -16.334 3.414 1.016) 16.718 11.002 ( 4.646 -3.341 -2.819) 6.379 12.728 ( 0.917 4.890 2.346) 5.501 13.047 ( 3.754 -0.975 1.387) 4.119 13.310 ( -1.562 13.997 -6.425) 15.480 14.279 ( 16.550 -12.424 -14.603) 25.328 14.884 ( -5.460 1.532 1.145) 5.785 15.184 ( -3.849 4.108 2.878) 6.323 15.614 ( 2.871 17.841 -3.242) 18.359 16.044 ( 9.293 -5.797 -6.072) 12.524 17.519 ( -21.701 2.086 16.637) 27.424 18.894 ( 2.139 -10.480 2.238) 10.928 21.031 ( 0.079 -1.093 -1.025) 1.501 21.140 ( 1.178 -0.923 -1.957) 2.464 ======================= Grid point 208 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -13.842 13.409 12.413) 22.923 0.960 ( -5.780 18.548 15.891) 25.099 1.694 ( -18.457 12.500 29.949) 37.334 1.865 ( -5.581 1.893 -5.857) 8.309 1.914 ( -1.842 0.963 -11.509) 11.695 2.085 ( -1.948 -2.648 -6.762) 7.519 2.234 ( 2.405 -3.893 -8.174) 9.368 2.385 ( 0.539 -4.116 4.162) 5.878 2.474 ( 5.002 -1.801 -2.817) 6.016 2.535 ( 6.839 -7.301 2.442) 10.298 2.665 ( 3.503 -1.563 -0.543) 3.874 2.808 ( 0.248 -1.943 1.609) 2.535 2.978 ( 4.993 3.140 -2.420) 6.376 3.095 ( 9.100 2.261 5.376) 10.808 3.298 ( 5.376 -3.124 5.134) 8.063 3.428 ( 3.487 -1.688 5.576) 6.790 3.565 ( -3.220 4.532 10.034) 11.471 3.654 ( -1.852 2.208 -8.646) 9.114 3.745 ( -0.121 0.902 5.508) 5.582 4.101 ( 3.758 -1.626 -6.722) 7.871 4.222 ( 4.563 -0.314 -0.761) 4.637 4.385 ( -5.798 3.276 -4.040) 7.789 4.707 ( 3.661 -1.855 -5.479) 6.846 4.871 ( 0.854 -1.438 -1.283) 2.108 5.051 ( -1.806 0.299 -1.032) 2.102 5.147 ( -4.560 -0.278 0.036) 4.569 5.306 ( 0.506 -1.297 -1.333) 1.928 5.526 ( 3.888 -6.984 -2.598) 8.405 6.293 ( 0.452 -1.847 -1.531) 2.441 6.392 ( 4.653 -1.058 4.169) 6.337 6.473 ( 1.105 4.746 -7.017) 8.543 6.621 ( -0.845 -2.309 -0.114) 2.461 6.776 ( -0.833 3.703 0.609) 3.844 7.004 ( 2.216 1.744 2.662) 3.877 7.635 ( 0.806 0.580 -0.004) 0.993 7.830 ( 0.173 0.618 -3.824) 3.877 8.106 ( 0.896 6.789 -3.442) 7.664 8.249 ( -1.665 6.535 -1.479) 6.904 8.929 ( 2.339 -8.806 5.242) 10.512 8.990 ( 6.999 0.257 1.719) 7.212 9.064 ( 7.387 3.498 3.910) 9.060 9.244 ( 5.439 0.813 0.726) 5.547 9.458 ( -2.839 -6.060 0.225) 6.696 9.835 ( -7.233 -2.324 -4.697) 8.932 10.040 ( -10.038 0.935 6.273) 11.874 10.161 ( -16.726 0.002 3.720) 17.134 10.233 ( -7.733 7.313 6.075) 12.255 11.002 ( 2.174 -3.137 -7.255) 8.198 12.751 ( -0.449 1.626 1.959) 2.586 13.100 ( 0.774 -0.799 0.724) 1.327 13.213 ( -0.151 2.613 -2.449) 3.584 14.328 ( 14.186 -20.627 -21.587) 33.056 14.849 ( -0.620 4.460 1.623) 4.786 15.196 ( -0.844 4.151 0.831) 4.316 15.619 ( 1.502 9.381 -1.501) 9.618 15.901 ( -8.106 -4.553 -15.857) 18.382 17.638 ( -0.469 12.505 32.669) 34.983 18.900 ( -3.225 -3.143 -1.338) 4.698 21.025 ( 0.441 -1.312 -0.816) 1.606 21.126 ( 0.545 -1.423 -2.874) 3.253 ======================= Grid point 209 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -5.093 11.326 7.761) 14.645 1.335 ( -5.445 10.263 14.401) 18.503 1.612 ( -4.442 0.657 -14.267) 14.957 1.854 ( 2.596 2.548 -8.550) 9.291 1.940 ( -2.959 -3.685 1.993) 5.129 2.053 ( 0.023 -0.878 -1.400) 1.653 2.269 ( 4.700 -0.864 0.971) 4.877 2.294 ( -1.641 -5.594 -1.141) 5.940 2.387 ( 2.053 -0.645 0.814) 2.300 2.504 ( 2.979 -3.940 1.744) 5.239 2.683 ( 1.271 -6.421 2.827) 7.130 2.743 ( -1.264 4.362 2.993) 5.439 3.109 ( 1.204 -1.886 -2.298) 3.207 3.270 ( 5.262 10.303 0.225) 11.571 3.489 ( 3.963 4.777 10.353) 12.072 3.512 ( -0.412 0.485 7.567) 7.594 3.656 ( 0.075 7.048 -1.918) 7.304 3.716 ( -2.381 2.474 5.366) 6.370 3.769 ( -4.932 1.845 0.061) 5.266 3.966 ( -2.572 -1.379 -6.851) 7.447 4.288 ( 4.299 -2.174 2.217) 5.303 4.355 ( -2.084 0.984 -2.451) 3.364 4.586 ( -1.457 -1.287 -1.823) 2.666 4.768 ( -0.837 -2.470 -4.893) 5.545 5.080 ( 1.004 -3.173 1.055) 3.491 5.144 ( 1.155 2.594 -1.089) 3.042 5.259 ( 1.928 -3.847 0.375) 4.319 5.410 ( -1.041 -2.670 -6.699) 7.286 6.259 ( -1.660 0.302 1.456) 2.229 6.395 ( -0.671 -2.482 -2.910) 3.883 6.476 ( 0.661 0.423 0.945) 1.229 6.616 ( 5.322 -2.188 -3.767) 6.877 6.931 ( 1.653 4.856 4.928) 7.113 7.052 ( -2.470 2.989 -1.593) 4.192 7.637 ( -1.555 0.118 1.785) 2.370 7.752 ( -0.284 0.807 -2.987) 3.107 8.191 ( -0.606 5.226 0.610) 5.296 8.370 ( 0.611 7.367 -7.090) 10.243 8.862 ( -0.944 -7.139 8.410) 11.072 9.079 ( -5.453 0.301 2.932) 6.199 9.146 ( 0.497 -1.653 -0.224) 1.741 9.215 ( 3.424 -5.513 -7.424) 9.861 9.487 ( 5.355 0.289 5.007) 7.337 9.734 ( -0.650 -3.569 -4.657) 5.903 9.874 ( -9.016 4.628 11.350) 15.216 10.113 ( 1.080 3.610 0.494) 3.800 10.538 ( 2.573 8.491 8.449) 12.252 10.869 ( -0.470 -1.507 -7.584) 7.746 12.766 ( -2.474 -0.205 3.336) 4.159 12.987 ( -3.976 -3.222 -2.993) 5.929 13.210 ( -0.806 -2.755 5.884) 6.547 13.752 ( 6.428 -20.922 -23.070) 31.800 15.033 ( 3.759 5.289 1.835) 6.743 15.234 ( -3.146 5.418 -5.388) 8.263 15.566 ( -4.351 -1.598 3.050) 5.549 15.690 ( 1.010 -2.702 -6.847) 7.430 18.368 ( 4.965 16.559 22.619) 28.469 18.875 ( -1.633 5.251 -3.776) 6.671 20.988 ( 0.079 -2.155 -0.291) 2.176 21.050 ( 0.063 -2.838 -3.107) 4.209 ======================= Grid point 210 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 6.811 4.905 13.781) 16.136 1.413 ( 1.713 5.739 3.096) 6.742 1.500 ( 0.100 2.766 3.987) 4.853 1.791 ( 3.618 5.155 -10.761) 12.469 1.946 ( -0.238 -3.130 2.533) 4.033 2.062 ( 2.050 -2.869 0.107) 3.527 2.198 ( -5.288 -6.877 -4.510) 9.778 2.251 ( -0.312 -5.172 -3.717) 6.377 2.458 ( -1.685 -1.473 0.781) 2.370 2.536 ( 2.394 -4.605 -0.826) 5.255 2.716 ( -3.414 -0.733 -0.952) 3.619 2.789 ( 2.663 -6.529 5.821) 9.143 3.122 ( 0.411 9.453 2.713) 9.844 3.253 ( -0.692 11.744 -5.009) 12.786 3.488 ( -11.065 3.529 1.960) 11.778 3.578 ( -3.512 7.185 -4.435) 9.145 3.635 ( 1.519 5.119 0.607) 5.374 3.675 ( -3.246 1.213 2.387) 4.208 3.790 ( 2.519 -0.598 7.531) 7.963 3.889 ( -2.517 -2.115 -0.965) 3.426 4.284 ( -2.054 -1.230 -4.292) 4.915 4.389 ( 3.198 -3.751 3.633) 6.124 4.605 ( 1.290 0.810 1.703) 2.285 4.718 ( 2.982 2.684 -3.095) 5.067 5.076 ( -1.955 -0.201 -0.029) 1.966 5.147 ( 0.278 -5.382 -2.630) 5.997 5.250 ( -2.648 -2.455 -1.023) 3.753 5.341 ( 0.579 -2.647 -2.173) 3.473 6.210 ( -4.799 1.179 1.172) 5.079 6.400 ( 3.398 -0.686 -0.543) 3.509 6.499 ( 0.702 1.967 0.771) 2.226 6.649 ( 5.010 -3.303 -6.339) 8.728 6.955 ( -4.157 5.031 0.042) 6.527 7.043 ( 3.021 1.278 2.243) 3.974 7.636 ( -1.989 0.751 3.017) 3.691 7.714 ( -0.463 2.158 -2.468) 3.311 8.215 ( 0.251 5.931 2.639) 6.496 8.296 ( -0.236 6.835 -4.084) 7.966 8.875 ( -7.575 -4.636 6.898) 11.245 9.015 ( -5.214 -3.920 1.705) 6.743 9.076 ( -2.954 -3.252 -3.064) 5.356 9.274 ( 4.039 -0.841 -4.865) 6.379 9.454 ( -7.294 -1.565 3.142) 8.095 9.641 ( -4.076 -2.748 1.543) 5.152 10.076 ( 13.821 2.554 5.758) 15.189 10.248 ( 13.455 1.435 -0.279) 13.535 10.653 ( 0.180 4.141 6.891) 8.041 10.749 ( -2.144 1.976 -8.362) 8.856 12.758 ( -3.940 -1.054 4.062) 5.756 13.039 ( 8.288 -7.558 3.678) 11.805 13.195 ( -4.012 -1.113 0.853) 4.250 13.645 ( 8.141 -8.234 -16.384) 20.063 15.105 ( -3.462 5.569 -4.926) 8.202 15.130 ( 3.610 3.986 3.207) 6.261 15.571 ( -0.351 -0.409 2.907) 2.957 15.699 ( 5.709 -1.622 -1.420) 6.102 18.573 ( -6.518 7.833 9.011) 13.603 18.780 ( -0.252 6.918 -3.265) 7.654 20.983 ( -0.701 -2.300 0.076) 2.406 21.026 ( 0.733 -2.230 -1.878) 3.006 ======================= Grid point 211 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 9.985 6.962 0.319) 12.176 1.606 ( 9.079 2.038 12.233) 15.370 1.628 ( 3.336 -0.765 12.565) 13.023 1.730 ( 3.511 10.766 -10.003) 15.109 1.946 ( -3.002 -2.000 0.517) 3.644 2.068 ( -3.376 -6.284 1.104) 7.219 2.138 ( 2.177 -3.632 1.613) 4.531 2.197 ( -1.858 -6.116 -2.702) 6.940 2.380 ( -3.617 -2.660 -3.981) 6.001 2.534 ( -1.230 -2.320 -3.810) 4.627 2.648 ( -1.868 -5.909 -0.355) 6.208 2.825 ( -3.006 -9.338 -0.482) 9.822 3.078 ( -2.652 5.689 -1.856) 6.546 3.172 ( -2.022 8.641 -6.019) 10.723 3.363 ( -5.543 7.103 0.182) 9.012 3.447 ( -6.101 3.880 -4.491) 8.511 3.630 ( 1.038 5.119 -2.208) 5.671 3.755 ( 0.974 0.713 4.498) 4.657 3.807 ( -2.536 1.047 3.986) 4.839 3.896 ( 0.448 5.649 2.203) 6.080 4.200 ( -2.371 0.837 -3.209) 4.077 4.462 ( 0.272 -2.967 3.638) 4.702 4.617 ( 3.528 3.668 -3.577) 6.221 4.788 ( 2.274 1.379 2.421) 3.596 5.036 ( -2.628 -0.244 -0.443) 2.676 5.086 ( -3.147 -7.145 0.457) 7.821 5.252 ( 0.245 -2.931 0.354) 2.963 5.290 ( -3.253 -5.839 -1.414) 6.832 6.174 ( -1.305 0.254 1.279) 1.845 6.437 ( -0.010 -2.140 -0.307) 2.162 6.514 ( 0.277 5.178 -1.086) 5.298 6.648 ( 4.962 0.769 -3.936) 6.380 6.895 ( -2.430 5.909 -0.603) 6.418 7.104 ( 1.797 2.720 0.401) 3.284 7.631 ( -2.308 2.149 1.879) 3.671 7.699 ( -0.070 -0.283 1.195) 1.230 8.204 ( -0.733 5.674 -1.218) 5.849 8.337 ( 3.646 4.432 3.471) 6.707 8.818 ( -7.653 -4.195 3.095) 9.259 8.891 ( -5.190 -7.035 -4.254) 9.722 8.990 ( -7.112 -1.484 -0.470) 7.280 9.219 ( -4.286 5.049 -0.465) 6.639 9.414 ( 0.384 -6.530 -1.285) 6.667 9.676 ( 0.320 -3.302 5.584) 6.495 10.335 ( 13.450 -0.676 0.325) 13.471 10.465 ( 10.800 2.178 0.082) 11.018 10.617 ( 1.379 1.808 -6.037) 6.451 10.743 ( 0.569 -0.994 4.803) 4.937 12.785 ( 2.024 2.276 4.378) 5.334 13.071 ( -4.999 -8.017 1.889) 9.635 13.337 ( 15.116 10.260 1.877) 18.366 13.612 ( 1.739 2.855 -3.521) 4.856 15.031 ( 1.050 4.777 -2.576) 5.528 15.236 ( 2.833 1.404 5.348) 6.213 15.598 ( -0.386 1.284 2.341) 2.698 15.806 ( 6.905 1.537 0.290) 7.080 18.392 ( -8.222 1.899 -11.431) 14.208 18.779 ( -4.400 -3.608 2.469) 6.203 20.975 ( -0.172 -1.559 0.223) 1.584 21.028 ( 0.340 -1.519 0.392) 1.606 ======================= Grid point 212 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 3.566 9.795 -9.545) 14.134 1.682 ( 9.511 8.503 -2.141) 12.936 1.770 ( -0.551 -2.224 7.522) 7.864 1.867 ( 3.143 0.446 4.010) 5.115 1.929 ( -1.417 0.636 5.872) 6.073 2.005 ( -7.383 -0.650 5.133) 9.015 2.149 ( 2.984 -6.105 -1.356) 6.929 2.211 ( 0.791 -5.905 2.931) 6.639 2.296 ( -0.926 -1.636 -2.809) 3.380 2.443 ( -3.378 0.245 -3.728) 5.037 2.665 ( -0.222 -5.856 3.738) 6.951 2.724 ( -4.841 -6.500 -3.676) 8.899 3.062 ( -1.495 1.544 -3.714) 4.291 3.094 ( 2.488 0.333 -0.346) 2.534 3.256 ( 0.089 7.228 -6.240) 9.549 3.350 ( 1.725 3.649 -8.350) 9.274 3.589 ( -7.108 -4.431 -4.430) 9.475 3.669 ( -0.230 3.796 0.954) 3.921 3.869 ( -3.087 4.163 0.522) 5.209 3.952 ( 0.399 3.956 5.395) 6.702 4.155 ( -1.543 5.249 0.491) 5.493 4.483 ( -0.171 0.615 1.212) 1.370 4.662 ( 4.492 2.831 0.054) 5.310 4.808 ( -0.706 -2.250 0.073) 2.360 4.932 ( -6.925 -4.302 -2.448) 8.512 5.104 ( -1.409 -1.760 4.798) 5.301 5.188 ( -4.090 -4.155 0.727) 5.875 5.302 ( 2.192 -4.089 -0.166) 4.643 6.185 ( 0.238 -0.929 1.058) 1.428 6.377 ( -1.088 -0.504 -5.085) 5.225 6.506 ( -0.318 6.106 1.222) 6.235 6.744 ( 5.231 5.023 2.976) 7.839 6.850 ( -1.711 4.782 -1.715) 5.360 7.106 ( 0.374 5.728 -2.672) 6.332 7.611 ( -2.056 2.450 1.001) 3.351 7.732 ( 0.696 -1.678 2.654) 3.216 8.198 ( 1.304 2.853 -0.439) 3.167 8.441 ( 4.185 1.630 3.044) 5.425 8.671 ( -6.989 -6.568 -4.697) 10.679 8.777 ( -9.199 -4.650 1.512) 10.418 8.903 ( -3.107 1.238 0.161) 3.348 9.141 ( -2.594 0.308 -1.556) 3.040 9.433 ( 1.725 -4.509 -0.120) 4.829 9.678 ( -5.010 -4.255 0.427) 6.587 10.466 ( 6.366 2.510 -4.274) 8.068 10.612 ( 9.468 -2.093 1.777) 9.859 10.657 ( 2.568 1.576 0.694) 3.092 10.830 ( 5.219 -6.195 2.964) 8.625 12.894 ( 4.227 4.717 2.983) 7.001 13.034 ( -1.102 -3.379 -0.445) 3.582 13.511 ( 3.948 21.012 3.669) 21.692 13.719 ( 6.655 13.570 10.974) 18.678 15.087 ( 7.369 2.974 -0.667) 7.975 15.335 ( 1.017 0.777 6.529) 6.654 15.605 ( -0.410 4.121 0.363) 4.158 15.878 ( 0.145 7.703 0.392) 7.714 18.145 ( -1.191 -9.559 -16.431) 19.047 18.656 ( -9.391 -15.504 -3.951) 18.552 20.988 ( 0.855 -0.475 1.163) 1.520 21.041 ( -0.369 -0.779 1.800) 1.996 ======================= Grid point 213 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 1.553 5.446 -6.177) 8.380 1.725 ( -3.732 3.413 -0.527) 5.084 1.801 ( 5.712 5.338 0.213) 7.821 1.909 ( 2.583 2.284 -2.598) 4.318 1.971 ( -0.948 -0.531 4.548) 4.675 2.039 ( 1.064 0.518 8.875) 8.953 2.190 ( -0.329 -6.340 -0.454) 6.365 2.228 ( -3.355 -0.762 3.259) 4.739 2.279 ( 0.203 -0.790 -2.844) 2.959 2.354 ( -4.581 1.298 -0.570) 4.795 2.617 ( -2.336 -2.324 -0.760) 3.382 2.663 ( -4.976 -3.920 2.119) 6.680 2.977 ( -0.009 -3.926 -7.860) 8.786 3.186 ( 6.735 -0.756 -4.355) 8.056 3.234 ( 4.490 2.559 -5.692) 7.688 3.348 ( 11.216 -5.281 -6.155) 13.841 3.472 ( -5.348 -1.272 2.037) 5.862 3.638 ( -2.660 4.878 0.089) 5.557 3.805 ( -7.246 -2.457 -1.301) 7.761 3.949 ( -4.090 4.211 1.623) 6.090 4.150 ( 0.563 7.108 3.325) 7.867 4.506 ( 2.941 3.911 -0.750) 4.951 4.735 ( -1.408 -4.900 0.232) 5.104 4.753 ( 0.740 -1.288 -1.711) 2.266 4.863 ( -2.207 0.278 2.179) 3.114 5.058 ( -5.614 1.133 -0.382) 5.740 5.196 ( 0.035 -3.246 3.884) 5.062 5.325 ( 0.900 -4.165 -0.329) 4.274 6.187 ( 0.641 -0.151 -0.555) 0.862 6.358 ( 3.000 4.135 -2.298) 5.601 6.530 ( -0.399 3.052 4.239) 5.238 6.755 ( -6.018 9.723 1.969) 11.603 6.885 ( 6.388 1.773 -0.814) 6.679 7.072 ( 0.561 6.001 -4.002) 7.235 7.586 ( -2.141 3.280 0.737) 3.985 7.746 ( -0.898 0.169 -1.010) 1.362 8.249 ( 5.349 -3.490 0.551) 6.411 8.508 ( -0.845 -2.585 0.753) 2.822 8.556 ( -3.704 -3.440 0.771) 5.113 8.633 ( -6.573 -4.134 -0.648) 7.792 8.873 ( -1.965 2.596 1.630) 3.642 9.110 ( 0.734 -2.228 -2.746) 3.611 9.445 ( 0.755 -4.492 -1.126) 4.692 9.563 ( -6.024 -3.415 -2.695) 7.430 10.508 ( 3.220 -1.609 -2.149) 4.192 10.652 ( 0.716 -5.395 -2.868) 6.151 10.793 ( 4.885 2.313 6.105) 8.154 10.944 ( 4.500 -3.741 1.773) 6.115 12.933 ( -0.116 4.652 -2.018) 5.072 13.003 ( -0.818 0.542 -1.840) 2.085 13.711 ( 7.220 27.335 16.194) 32.582 13.944 ( 3.021 28.460 12.305) 31.153 15.203 ( 6.609 1.483 -0.866) 6.828 15.413 ( -1.494 0.265 7.859) 8.004 15.612 ( 2.944 9.153 -2.950) 10.058 15.796 ( -8.253 10.791 -1.469) 13.665 18.027 ( 8.841 -22.104 -14.440) 27.844 18.412 ( -11.257 -25.453 -8.887) 29.216 21.025 ( 1.431 0.221 1.834) 2.337 21.055 ( -0.867 -0.081 2.276) 2.437 ======================= Grid point 214 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -6.810 -0.123 0.057) 6.812 1.668 ( 1.391 4.991 -3.415) 6.205 1.852 ( -4.089 3.088 2.719) 5.800 1.981 ( 11.025 4.037 -3.166) 12.161 2.012 ( 2.320 0.003 1.888) 2.991 2.142 ( -6.058 -3.550 -2.765) 7.546 2.151 ( -3.449 2.080 3.576) 5.386 2.203 ( 0.792 2.411 6.712) 7.175 2.225 ( 2.736 3.120 -0.749) 4.217 2.295 ( 0.098 -2.965 -4.129) 5.084 2.539 ( -4.991 -2.147 3.519) 6.473 2.717 ( 3.329 -3.910 4.656) 6.931 2.887 ( 1.159 -4.064 -9.821) 10.691 3.072 ( 0.096 -0.328 -14.961) 14.965 3.350 ( -8.041 -0.512 2.871) 8.554 3.393 ( 5.869 -2.239 -0.060) 6.282 3.466 ( -0.952 -9.353 0.508) 9.415 3.622 ( -0.212 -6.644 -6.087) 9.014 3.716 ( 7.923 5.142 5.443) 10.902 3.868 ( -4.906 8.742 -2.754) 10.396 4.269 ( 3.292 5.999 7.989) 10.519 4.551 ( 2.871 5.945 -2.875) 7.200 4.708 ( 5.222 -3.734 -2.234) 6.798 4.743 ( -7.407 -0.836 -0.681) 7.485 4.813 ( -4.498 -2.245 4.055) 6.459 5.004 ( 2.342 -0.029 -3.661) 4.346 5.246 ( 0.221 -1.665 4.109) 4.439 5.324 ( -0.189 -3.739 -0.518) 3.780 6.217 ( 1.439 1.599 1.632) 2.700 6.353 ( 0.567 6.208 -4.608) 7.752 6.587 ( -0.764 1.704 6.205) 6.480 6.708 ( -0.560 10.558 1.855) 10.735 6.943 ( 1.017 1.037 -1.095) 1.819 7.042 ( 1.855 3.605 -4.541) 6.088 7.567 ( -1.687 4.109 1.550) 4.704 7.697 ( 0.219 2.832 -4.063) 4.957 8.354 ( 2.118 -6.323 2.021) 6.968 8.433 ( -7.220 -5.580 -0.105) 9.125 8.501 ( -0.351 -2.763 3.818) 4.726 8.649 ( 4.908 -3.695 -1.274) 6.274 8.876 ( -1.056 2.139 3.018) 3.847 9.070 ( -0.775 -1.425 -4.686) 4.958 9.451 ( 2.060 -5.168 -1.204) 5.692 9.455 ( -3.202 -3.109 -2.725) 5.229 10.516 ( -1.251 -3.794 0.721) 4.059 10.626 ( 1.375 -8.069 -4.058) 9.136 10.894 ( -0.804 3.816 5.578) 6.806 10.997 ( 0.113 -0.356 0.654) 0.753 12.890 ( -2.642 5.149 0.256) 5.793 12.970 ( -0.547 2.681 -2.217) 3.521 14.044 ( 10.550 32.339 14.192) 36.858 14.061 ( -4.449 38.116 9.994) 39.655 15.268 ( 0.071 -0.588 2.851) 2.912 15.431 ( -12.300 7.750 5.725) 15.625 15.504 ( -2.728 1.586 -4.211) 5.262 15.778 ( 9.132 9.792 -3.481) 13.834 18.086 ( 8.560 -28.082 -8.965) 30.696 18.118 ( -5.506 -30.254 -11.078) 32.685 21.059 ( -1.175 0.265 2.077) 2.401 21.072 ( 1.394 0.355 1.407) 2.012 ======================= Grid point 215 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -12.630 5.941 2.317) 14.149 1.672 ( -9.252 4.521 1.024) 10.348 1.777 ( 4.430 2.024 -2.150) 5.324 2.004 ( -5.382 -4.831 -0.259) 7.236 2.066 ( -0.504 -0.099 1.922) 1.990 2.134 ( 2.851 1.359 6.784) 7.483 2.165 ( 10.221 1.197 -5.496) 11.666 2.207 ( -1.237 -5.132 -1.069) 5.387 2.300 ( 6.900 4.092 -2.362) 8.363 2.380 ( 5.747 2.144 1.391) 6.290 2.576 ( -2.781 0.982 10.910) 11.301 2.771 ( -0.067 -2.068 -12.990) 13.154 2.814 ( 1.785 -3.883 4.071) 5.902 2.934 ( 1.580 -1.160 -9.455) 9.656 3.192 ( -9.132 -1.640 0.439) 9.289 3.225 ( -13.155 -8.293 -0.350) 15.554 3.585 ( 9.068 4.260 1.992) 10.215 3.710 ( -1.966 6.347 -1.938) 6.921 3.771 ( 7.512 -1.705 -4.247) 8.796 3.946 ( 11.131 1.120 4.746) 12.152 4.361 ( -2.150 0.646 2.972) 3.724 4.443 ( -4.833 6.403 -4.755) 9.326 4.662 ( 1.566 -2.555 -1.106) 3.194 4.760 ( -3.659 -2.239 2.697) 5.068 4.913 ( 10.745 -1.304 4.036) 11.552 5.002 ( 2.246 -3.133 -4.005) 5.558 5.274 ( -1.259 -2.160 1.209) 2.777 5.321 ( 0.688 -1.658 -0.273) 1.815 6.197 ( -4.608 4.584 -0.839) 6.554 6.332 ( 2.340 3.500 -2.026) 4.672 6.624 ( -0.833 4.916 3.529) 6.108 6.789 ( 5.926 7.678 2.573) 10.035 6.885 ( -4.819 0.354 -2.339) 5.369 7.021 ( 1.041 1.016 -4.460) 4.691 7.566 ( -0.792 2.689 1.886) 3.378 7.717 ( 6.322 6.325 -1.070) 9.007 8.257 ( -8.273 -5.656 0.543) 10.036 8.420 ( -3.293 -1.083 3.677) 5.054 8.584 ( 4.546 -5.477 0.427) 7.131 8.719 ( 7.360 -7.545 -2.833) 10.914 8.904 ( -1.430 1.026 5.266) 5.553 9.006 ( 0.672 1.606 -4.486) 4.812 9.404 ( -0.724 -3.119 -0.665) 3.270 9.491 ( 3.791 -5.169 0.204) 6.414 10.473 ( -5.321 -4.346 0.589) 6.896 10.618 ( 1.797 -8.243 -2.279) 8.739 10.888 ( -6.665 3.708 3.786) 8.515 10.962 ( -4.068 2.441 -0.492) 4.769 12.860 ( -3.449 5.657 2.494) 7.079 12.949 ( 0.494 3.073 -0.489) 3.151 14.032 ( -8.461 38.384 3.993) 39.508 14.282 ( 4.190 28.898 2.364) 29.296 15.135 ( -13.264 0.233 1.894) 13.401 15.362 ( -1.843 1.241 2.612) 3.429 15.557 ( 3.996 -0.360 7.450) 8.461 15.881 ( 8.189 12.781 -5.026) 15.990 17.807 ( -10.886 -28.245 -9.379) 31.690 18.264 ( 15.136 -25.834 -4.389) 30.262 21.053 ( -1.530 0.237 0.888) 1.785 21.106 ( 1.216 -0.130 0.531) 1.334 ======================= Grid point 216 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -9.938 13.035 8.914) 18.658 1.483 ( -13.846 10.852 4.003) 18.042 1.877 ( 7.705 -2.006 -1.522) 8.106 1.960 ( -0.655 -5.183 0.004) 5.224 2.101 ( 1.508 -4.650 3.141) 5.810 2.155 ( -1.257 -3.417 -0.311) 3.654 2.212 ( 3.479 -3.120 -4.468) 6.466 2.302 ( 7.012 -0.495 -1.690) 7.229 2.372 ( 0.813 4.873 -1.192) 5.083 2.393 ( -5.412 1.953 -1.073) 5.853 2.550 ( -6.528 6.403 2.015) 9.364 2.683 ( 3.099 0.223 1.412) 3.413 2.842 ( 0.595 -6.882 -0.783) 6.952 2.940 ( 1.306 -1.940 3.136) 3.912 3.112 ( -0.769 1.891 -1.142) 2.339 3.160 ( 3.724 -3.605 0.662) 5.225 3.578 ( -4.735 11.252 -4.776) 13.109 3.749 ( 8.474 3.213 1.660) 9.214 3.856 ( 1.940 -0.213 -0.586) 2.038 4.084 ( 1.557 2.839 1.272) 3.479 4.303 ( 3.757 0.148 -6.862) 7.825 4.470 ( 3.425 -1.919 3.845) 5.495 4.695 ( -1.759 -0.529 -0.612) 1.935 4.731 ( 1.659 -4.839 2.235) 5.583 4.992 ( 3.168 -5.651 -3.943) 7.584 5.114 ( 7.004 -1.750 3.943) 8.226 5.243 ( -1.635 -2.172 -1.390) 3.053 5.321 ( -0.373 -0.122 -0.984) 1.059 6.137 ( -1.257 4.558 1.120) 4.859 6.335 ( 0.719 0.391 -2.455) 2.588 6.644 ( 0.623 5.111 -0.250) 5.155 6.758 ( -6.006 -0.916 -2.719) 6.656 6.926 ( 4.158 8.086 4.877) 10.318 6.966 ( -0.466 1.671 -5.095) 5.382 7.588 ( 0.592 0.843 1.919) 2.178 7.829 ( 5.744 3.676 -0.435) 6.834 8.182 ( -0.404 0.286 0.493) 0.699 8.391 ( -4.744 0.372 3.786) 6.081 8.610 ( 0.765 -6.683 -1.781) 6.958 8.829 ( 8.802 -5.556 -1.660) 10.540 8.943 ( -0.524 1.264 5.107) 5.287 9.012 ( 3.945 1.335 -2.298) 4.757 9.410 ( 0.815 -2.847 0.987) 3.122 9.584 ( 5.427 -5.150 3.327) 8.188 10.358 ( -9.528 -3.240 0.388) 10.071 10.588 ( -5.639 -3.497 -0.332) 6.644 10.757 ( -11.903 3.669 -0.101) 12.457 10.903 ( -1.066 -0.289 -0.326) 1.151 12.840 ( -2.850 6.750 3.570) 8.151 12.977 ( 1.974 1.155 1.282) 2.622 13.876 ( -13.428 27.720 -1.979) 30.864 14.215 ( -3.910 7.530 -9.016) 12.381 15.047 ( -1.347 5.631 -0.128) 5.791 15.330 ( -4.927 4.819 3.281) 7.634 15.750 ( 7.873 -6.345 4.706) 11.153 15.912 ( 0.821 12.506 -2.097) 12.707 17.596 ( -6.178 -12.602 -0.722) 14.054 18.467 ( 12.873 -19.533 0.222) 23.394 21.032 ( -1.286 -0.227 -0.324) 1.345 21.120 ( 0.699 -0.970 -0.777) 1.426 ======================= Grid point 217 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -6.354 16.940 11.828) 21.616 1.350 ( -11.698 13.966 8.619) 20.154 1.924 ( -0.346 -1.914 -2.106) 2.867 2.008 ( 4.760 -4.736 -0.130) 6.717 2.072 ( -13.492 2.264 4.325) 14.347 2.103 ( -5.300 -0.003 -9.297) 10.701 2.152 ( 2.526 -5.969 -2.847) 7.079 2.259 ( 2.046 0.503 3.332) 3.942 2.366 ( 3.362 3.440 -3.190) 5.772 2.398 ( 4.762 -1.550 -4.052) 6.442 2.584 ( 3.754 0.309 3.419) 5.087 2.775 ( -1.857 -5.370 -3.686) 6.773 2.828 ( 2.405 -2.991 4.645) 6.026 3.039 ( 2.734 2.361 8.588) 9.317 3.137 ( 4.548 4.323 2.328) 6.693 3.274 ( 6.892 -0.215 2.739) 7.419 3.504 ( -1.028 6.817 2.306) 7.270 3.776 ( -0.375 3.107 -4.211) 5.247 3.969 ( 8.075 3.666 0.446) 8.879 4.082 ( -2.412 5.254 -0.349) 5.792 4.241 ( -0.735 -2.927 -7.796) 8.360 4.543 ( -2.108 -2.428 0.101) 3.217 4.643 ( 2.811 2.953 -3.213) 5.191 4.796 ( 0.194 -7.115 2.627) 7.587 5.030 ( 5.007 -6.493 -2.666) 8.622 5.163 ( -2.972 -4.080 -0.097) 5.048 5.272 ( 5.006 -0.538 -0.775) 5.094 5.302 ( 1.948 -0.319 0.289) 1.995 6.191 ( 3.167 1.038 4.028) 5.228 6.315 ( 1.390 -1.133 -2.691) 3.234 6.617 ( -0.563 2.547 -5.586) 6.165 6.653 ( -4.988 -0.427 0.585) 5.040 6.890 ( -3.308 4.172 -0.133) 5.326 7.041 ( 4.231 8.007 1.304) 9.150 7.618 ( 0.579 -0.223 1.545) 1.665 7.842 ( -0.664 -3.435 -2.608) 4.364 8.234 ( 4.189 5.999 -2.441) 7.713 8.384 ( 0.423 5.638 2.120) 6.038 8.627 ( 2.367 -9.296 2.736) 9.975 8.938 ( 5.038 1.180 0.413) 5.191 9.017 ( 5.227 3.797 0.374) 6.471 9.074 ( 4.656 -4.322 3.588) 7.296 9.425 ( 0.359 -3.024 -1.676) 3.476 9.718 ( 4.366 -6.743 3.503) 8.764 10.197 ( -13.206 1.276 5.171) 14.240 10.418 ( -14.114 1.780 0.662) 14.241 10.539 ( -12.855 5.233 -0.956) 13.912 10.917 ( 3.523 -4.548 -2.553) 6.294 12.849 ( -1.343 6.297 2.771) 7.009 13.028 ( 2.513 -0.925 1.259) 2.959 13.551 ( -19.565 9.911 -6.017) 22.742 14.061 ( 1.340 -7.301 -14.228) 16.048 15.010 ( 0.043 7.498 -4.566) 8.779 15.312 ( -3.101 8.197 4.642) 9.918 15.798 ( -4.614 0.638 -1.704) 4.960 15.886 ( 1.867 -8.890 -6.583) 11.219 17.652 ( 2.922 11.307 15.770) 19.624 18.680 ( 10.244 -10.527 4.068) 15.241 21.009 ( -0.588 -0.958 -1.042) 1.533 21.111 ( 0.231 -1.921 -1.996) 2.780 ======================= Grid point 218 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -11.161 15.887 6.148) 20.366 1.289 ( -7.891 13.946 11.648) 19.810 1.856 ( -4.203 -0.978 -8.390) 9.435 1.912 ( -1.937 -0.515 -8.325) 8.563 1.975 ( -5.880 1.179 6.537) 8.871 2.045 ( -1.332 6.796 5.025) 8.556 2.155 ( 4.233 -3.162 -5.260) 7.455 2.322 ( 0.657 -2.960 -0.123) 3.035 2.406 ( 3.616 -6.868 -6.153) 9.905 2.427 ( 5.070 -2.218 -0.679) 5.576 2.660 ( -0.456 -0.607 2.190) 2.318 2.705 ( 1.224 -4.159 1.172) 4.491 2.994 ( 8.611 -5.550 6.752) 12.270 3.148 ( 5.735 8.955 0.213) 10.636 3.316 ( 3.914 2.701 11.728) 12.655 3.412 ( 3.949 1.229 5.366) 6.775 3.598 ( 1.256 1.629 11.306) 11.492 3.709 ( -0.838 5.081 -5.187) 7.310 3.910 ( -7.607 10.687 -5.437) 14.200 4.062 ( 1.760 -2.142 -6.673) 7.226 4.208 ( 2.894 -0.643 0.642) 3.033 4.443 ( -5.243 1.630 -2.606) 6.077 4.653 ( 1.100 -2.783 -5.437) 6.206 4.805 ( -0.581 -5.051 0.376) 5.099 5.057 ( 0.690 -1.674 0.136) 1.816 5.127 ( 0.441 0.270 -0.659) 0.838 5.262 ( -0.674 -3.133 -1.400) 3.497 5.417 ( 7.058 -4.276 -2.440) 8.606 6.253 ( 1.567 -1.869 -0.831) 2.576 6.364 ( 3.164 -1.617 3.904) 5.279 6.528 ( -3.623 0.257 -3.664) 5.159 6.599 ( 0.832 -0.571 -3.192) 3.348 6.873 ( -0.749 6.662 3.094) 7.384 7.084 ( 0.244 5.503 -0.187) 5.512 7.637 ( -0.320 -0.329 1.252) 1.334 7.794 ( -0.887 -2.391 -2.873) 3.842 8.219 ( -0.924 3.817 -2.417) 4.611 8.411 ( 3.351 7.278 -5.148) 9.524 8.746 ( 3.523 -7.761 7.405) 11.290 9.010 ( 5.238 1.554 -0.186) 5.466 9.138 ( 6.876 -1.004 -0.113) 6.950 9.229 ( 6.141 2.167 7.177) 9.691 9.355 ( -2.951 -4.427 -5.187) 7.430 9.751 ( -1.314 -5.160 0.474) 5.346 10.039 ( -16.345 1.024 5.930) 17.418 10.213 ( -13.556 3.047 3.292) 14.279 10.424 ( -0.910 10.317 4.707) 11.377 10.926 ( 2.424 -4.066 -5.227) 7.052 12.816 ( -3.526 4.168 -1.711) 5.721 13.097 ( 2.178 0.381 2.280) 3.177 13.205 ( -13.512 -1.762 -2.578) 13.868 13.917 ( 3.591 -18.986 -18.972) 27.079 14.983 ( 1.968 6.935 -1.876) 7.449 15.305 ( -2.009 5.747 0.123) 6.089 15.660 ( -10.270 -2.217 2.003) 10.696 15.794 ( 1.474 -6.816 -12.937) 14.697 17.986 ( 7.769 20.445 24.170) 32.597 18.854 ( 5.189 -1.733 2.638) 6.073 20.993 ( 0.108 -1.678 -0.995) 1.953 21.085 ( -0.052 -2.664 -2.840) 3.894 ======================= Grid point 219 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -6.021 6.706 -1.221) 9.095 1.515 ( -6.699 5.734 8.817) 12.470 1.626 ( -4.281 1.402 -14.001) 14.708 1.848 ( -0.636 -4.176 1.629) 4.527 1.912 ( 0.579 2.521 -5.606) 6.174 1.950 ( -0.960 -4.881 -0.560) 5.006 2.145 ( 1.414 -6.708 -3.831) 7.854 2.199 ( 3.542 -5.712 -8.861) 11.121 2.414 ( 4.134 1.081 -0.033) 4.273 2.483 ( 1.915 2.071 2.830) 3.996 2.547 ( 1.367 -6.172 2.010) 6.634 2.717 ( 2.223 -7.415 0.943) 7.798 3.276 ( 0.747 14.435 14.217) 20.275 3.413 ( -2.044 1.842 10.311) 10.672 3.526 ( 4.626 4.375 5.805) 8.616 3.630 ( 2.740 8.352 7.716) 11.696 3.757 ( 0.002 1.682 -2.125) 2.710 3.769 ( -3.558 6.601 5.260) 9.160 3.918 ( -5.188 5.830 -5.715) 9.673 3.963 ( -2.745 0.922 -4.471) 5.327 4.238 ( 2.146 -2.048 0.430) 2.997 4.331 ( -2.758 -3.214 -4.774) 6.381 4.578 ( 1.062 0.664 -0.780) 1.475 4.712 ( 3.283 -3.474 -3.715) 6.054 5.002 ( -0.275 -3.469 0.216) 3.487 5.108 ( -2.913 -6.175 -3.409) 7.632 5.238 ( 3.313 2.182 0.598) 4.012 5.346 ( 0.579 -3.202 -4.719) 5.732 6.274 ( 0.825 1.450 1.768) 2.431 6.344 ( -0.709 -2.060 -0.032) 2.179 6.473 ( 0.326 -0.603 0.111) 0.694 6.547 ( 2.529 -4.228 -2.423) 5.490 7.029 ( 0.659 4.687 0.410) 4.751 7.112 ( -1.372 1.930 -4.201) 4.823 7.666 ( -1.560 3.121 4.410) 5.624 7.773 ( 0.035 0.296 0.698) 0.759 8.289 ( -0.304 4.834 2.913) 5.652 8.454 ( 1.167 -0.006 -2.055) 2.363 8.773 ( -0.381 -0.075 2.550) 2.579 9.027 ( -2.984 -7.486 -1.224) 8.151 9.114 ( 4.876 -0.058 0.481) 4.900 9.142 ( -3.534 -1.066 -6.224) 7.237 9.500 ( 3.053 1.362 2.630) 4.253 9.647 ( -0.930 -4.844 -3.531) 6.066 10.000 ( -4.782 7.053 8.965) 12.369 10.151 ( -0.971 0.173 2.146) 2.362 10.690 ( 1.766 6.464 4.554) 8.102 10.843 ( 0.366 -1.545 -3.044) 3.434 12.792 ( -2.845 2.745 -2.677) 4.774 12.938 ( -7.533 -2.313 -3.830) 8.762 13.188 ( 1.298 0.348 3.344) 3.604 13.399 ( 7.666 -13.701 -12.720) 20.206 15.121 ( 2.347 4.185 -1.266) 4.962 15.286 ( -1.472 -0.753 -7.040) 7.232 15.551 ( -2.489 -0.003 2.570) 3.578 15.608 ( 0.845 -3.990 -2.454) 4.760 18.687 ( 1.969 14.177 15.272) 20.931 18.945 ( 0.040 1.151 2.150) 2.440 20.951 ( 0.016 -1.275 -0.922) 1.573 20.990 ( 0.128 -2.894 -2.684) 3.949 ======================= Grid point 220 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 3.765 1.147 9.205) 10.011 1.465 ( 0.814 -4.777 -2.148) 5.300 1.569 ( -0.000 8.711 5.495) 10.299 1.859 ( 3.871 0.986 -6.246) 7.414 1.889 ( -0.757 -2.359 4.293) 4.956 1.962 ( -0.128 -2.350 3.030) 3.837 2.102 ( -0.405 -2.982 -4.226) 5.188 2.162 ( 3.870 -5.204 -8.654) 10.814 2.437 ( -1.349 -0.454 -4.940) 5.141 2.466 ( 2.527 -2.356 0.580) 3.504 2.636 ( -1.869 -5.010 3.052) 6.156 2.672 ( -2.880 -4.669 -3.662) 6.596 3.353 ( -6.979 10.183 3.345) 12.790 3.463 ( -2.467 6.595 8.206) 10.813 3.596 ( -6.313 8.093 1.534) 10.378 3.669 ( -5.304 2.580 -4.744) 7.569 3.707 ( -4.702 2.162 4.133) 6.623 3.778 ( 1.017 7.480 -0.081) 7.550 3.823 ( 0.078 2.728 4.631) 5.376 3.919 ( 2.593 4.326 0.684) 5.090 4.247 ( -1.232 -2.029 -3.537) 4.259 4.298 ( 3.284 -4.729 1.834) 6.042 4.631 ( 4.181 1.582 0.798) 4.541 4.736 ( 6.087 -1.064 -5.118) 8.023 5.002 ( -2.530 -6.789 0.374) 7.255 5.042 ( -0.469 -4.241 0.048) 4.267 5.225 ( -3.878 -0.017 -2.215) 4.465 5.280 ( -2.627 -2.815 -2.745) 4.728 6.241 ( -4.308 2.215 0.112) 4.846 6.369 ( 1.655 -2.443 0.366) 2.973 6.516 ( 4.742 0.123 -0.081) 4.745 6.585 ( 6.227 -2.795 -3.427) 7.637 7.052 ( -0.945 3.581 -1.593) 4.032 7.065 ( 1.951 1.221 0.943) 2.487 7.685 ( -2.358 3.892 4.483) 6.387 7.763 ( -0.931 1.805 -1.257) 2.388 8.332 ( 0.027 5.721 4.004) 6.983 8.414 ( -0.328 4.678 -5.097) 6.927 8.756 ( -7.168 -5.698 6.986) 11.517 8.887 ( -7.863 -8.422 -5.561) 12.794 9.075 ( -1.029 2.659 -0.770) 2.953 9.228 ( 6.336 -3.547 0.423) 7.274 9.459 ( -8.063 1.690 -0.250) 8.242 9.575 ( -3.030 -3.564 1.138) 4.814 10.137 ( 8.224 3.398 5.343) 10.379 10.241 ( 8.763 -1.463 1.192) 8.964 10.741 ( -0.972 4.066 2.004) 4.636 10.795 ( -0.942 1.739 -3.438) 3.967 12.770 ( -0.471 1.520 2.196) 2.712 12.882 ( 2.276 -5.978 0.821) 6.449 13.260 ( 9.969 5.044 -1.115) 11.228 13.490 ( 15.471 -7.016 -8.632) 19.055 15.153 ( 0.563 0.813 0.392) 1.064 15.183 ( -0.483 0.547 -5.423) 5.472 15.580 ( 2.067 1.128 2.339) 3.319 15.645 ( 5.759 -2.852 0.130) 6.428 18.745 ( -12.103 8.353 6.755) 16.183 18.879 ( -7.539 2.601 -0.327) 7.982 20.945 ( 0.184 -1.230 -0.363) 1.295 20.977 ( 1.334 -2.403 -1.532) 3.147 ======================= Grid point 221 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 5.193 -4.491 5.754) 8.958 1.577 ( 5.220 -2.603 12.939) 14.193 1.700 ( 8.578 7.711 6.430) 13.206 1.861 ( 3.305 2.257 -2.420) 4.677 1.949 ( -2.172 -3.661 4.896) 6.488 1.955 ( 0.138 1.022 -3.125) 3.291 2.083 ( -0.297 0.484 3.276) 3.325 2.126 ( 4.031 -2.704 -8.368) 9.674 2.347 ( -2.026 -0.494 -6.583) 6.905 2.495 ( 0.092 -1.473 -1.494) 2.100 2.538 ( -1.683 -4.967 -3.870) 6.518 2.607 ( -5.225 -10.603 -0.874) 11.852 3.229 ( -8.194 9.134 0.898) 12.304 3.399 ( -7.425 11.965 -5.152) 14.995 3.490 ( -5.839 4.985 1.180) 7.768 3.514 ( -7.725 2.209 -1.284) 8.137 3.652 ( -5.690 -4.907 -4.256) 8.635 3.769 ( -2.770 3.532 0.991) 4.597 3.864 ( 0.207 4.557 5.537) 7.174 4.047 ( 5.352 5.399 1.754) 7.802 4.222 ( 0.452 1.857 0.253) 1.928 4.375 ( 3.657 -4.690 1.840) 6.226 4.691 ( 2.990 3.630 -0.709) 4.756 4.775 ( 4.297 -2.320 -5.066) 7.037 4.944 ( -3.084 -4.872 0.546) 5.791 5.064 ( -2.519 1.683 3.944) 4.973 5.148 ( -1.519 -7.516 -2.377) 8.028 5.194 ( -3.733 -3.022 0.119) 4.804 6.191 ( -1.857 1.894 0.274) 2.666 6.358 ( -1.771 -5.090 -1.062) 5.493 6.608 ( 6.036 3.899 -1.812) 7.411 6.670 ( 9.190 0.892 -2.714) 9.624 7.021 ( -1.266 5.675 -0.500) 5.836 7.127 ( 2.417 -0.219 2.433) 3.436 7.687 ( -2.967 3.252 2.923) 5.285 7.721 ( -1.648 1.889 -1.419) 2.880 8.317 ( -1.963 5.664 -1.738) 6.241 8.420 ( 2.062 4.017 2.600) 5.210 8.673 ( -9.413 -8.583 -2.385) 12.960 8.739 ( -5.475 -8.084 2.987) 10.210 9.020 ( -4.612 4.035 -0.887) 6.192 9.265 ( -5.602 -6.204 -2.109) 8.621 9.346 ( 0.526 5.421 0.507) 5.470 9.590 ( -0.582 -5.310 3.228) 6.241 10.320 ( 9.960 0.296 1.117) 10.027 10.433 ( 11.087 -3.929 2.567) 12.040 10.698 ( -1.394 4.619 -2.971) 5.666 10.759 ( -2.008 1.396 -0.133) 2.450 12.838 ( 3.835 2.516 4.571) 6.475 12.940 ( 0.188 -4.523 4.131) 6.128 13.544 ( 24.733 9.200 0.506) 26.394 13.664 ( 14.807 1.945 -3.013) 15.235 15.107 ( 0.452 2.774 -2.737) 3.923 15.207 ( 1.186 -3.226 2.428) 4.208 15.658 ( 4.436 3.924 1.872) 6.211 15.787 ( 10.055 -2.654 1.441) 10.499 18.468 ( -19.987 5.360 -6.471) 21.681 18.695 ( -15.849 -4.896 -1.277) 16.637 20.954 ( 1.029 -0.379 0.386) 1.162 20.993 ( 1.314 -1.855 0.267) 2.289 ======================= Grid point 222 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 3.072 -1.638 8.096) 8.813 1.775 ( 4.303 -0.921 5.486) 7.032 1.807 ( 0.420 5.010 -3.855) 6.335 1.881 ( 1.569 2.370 -2.552) 3.820 1.984 ( 0.394 -0.830 9.852) 9.895 2.002 ( 2.495 4.537 4.374) 6.778 2.055 ( 1.152 -3.112 -4.162) 5.323 2.151 ( 1.183 2.025 -1.999) 3.081 2.249 ( 0.816 -3.652 -4.369) 5.753 2.442 ( 0.035 -1.195 -2.475) 2.749 2.530 ( -2.242 -9.977 -1.328) 10.311 2.557 ( 1.422 -5.085 2.124) 5.691 3.148 ( -3.930 5.626 1.910) 7.123 3.198 ( -11.024 9.914 -3.236) 15.175 3.352 ( 0.772 2.186 -11.173) 11.411 3.428 ( -4.485 2.502 -8.854) 10.235 3.486 ( -9.596 -5.181 5.490) 12.209 3.737 ( -4.343 -3.011 1.533) 5.503 3.873 ( -2.874 5.246 0.208) 5.985 4.096 ( 1.133 4.726 -1.423) 5.064 4.239 ( -0.498 3.977 1.843) 4.411 4.461 ( 3.736 -3.458 2.415) 5.634 4.705 ( -0.329 1.911 -1.446) 2.419 4.762 ( 3.357 -0.394 -5.608) 6.547 4.898 ( -2.683 -0.171 -0.677) 2.772 5.061 ( -0.270 -2.845 2.524) 3.813 5.122 ( -3.283 -1.945 3.401) 5.112 5.203 ( 1.217 -5.208 2.047) 5.726 6.186 ( -0.125 1.374 1.184) 1.818 6.326 ( -0.478 -3.987 0.271) 4.025 6.649 ( 3.415 7.376 -3.539) 8.865 6.803 ( 9.920 0.823 -2.785) 10.336 6.993 ( -2.591 8.054 1.012) 8.521 7.175 ( 1.214 0.636 0.008) 1.371 7.657 ( -1.672 2.299 -0.006) 2.843 7.709 ( -0.484 -0.355 2.173) 2.254 8.273 ( -2.909 4.210 -0.286) 5.125 8.469 ( -1.831 1.421 1.807) 2.939 8.519 ( -2.839 -7.595 -2.450) 8.470 8.663 ( -7.442 -6.313 0.699) 9.784 8.956 ( -2.359 3.851 0.485) 4.542 9.129 ( -4.988 -2.401 -2.498) 6.073 9.383 ( 0.852 0.434 0.298) 1.001 9.571 ( -3.732 -6.186 -0.800) 7.269 10.457 ( 6.110 -0.512 -2.785) 6.734 10.581 ( 4.197 -3.385 -2.275) 5.852 10.710 ( 4.338 2.393 2.850) 5.715 10.752 ( 1.772 -0.501 4.271) 4.651 12.949 ( 2.993 1.283 3.231) 4.587 12.982 ( 0.468 -1.632 2.451) 2.981 13.893 ( 13.632 16.757 7.557) 22.886 14.032 ( 26.184 13.598 7.424) 30.424 15.123 ( 2.476 0.870 0.033) 2.624 15.268 ( 3.283 -5.336 2.876) 6.893 15.755 ( 6.156 9.067 0.127) 10.960 15.967 ( 8.206 0.647 2.404) 8.576 18.016 ( -19.794 -2.080 -14.396) 24.564 18.338 ( -21.494 -15.448 -7.629) 27.547 20.986 ( 1.590 0.313 1.422) 2.156 21.021 ( 0.768 -1.130 1.609) 2.111 ======================= Grid point 223 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -6.496 3.658 -2.445) 7.846 1.828 ( 5.198 4.991 1.021) 7.278 1.883 ( -2.604 0.898 -1.777) 3.278 1.920 ( 2.816 -1.795 4.331) 5.469 1.954 ( 3.113 1.395 -6.522) 7.360 2.063 ( 2.228 1.007 5.882) 6.369 2.112 ( 1.037 -0.285 -1.792) 2.090 2.188 ( 2.675 -2.085 7.108) 7.875 2.279 ( 3.226 0.943 -1.525) 3.691 2.408 ( -5.175 2.984 0.457) 5.991 2.523 ( 2.785 -7.663 0.921) 8.206 2.559 ( -4.384 -5.571 1.023) 7.162 2.991 ( -7.595 5.519 -4.478) 10.402 3.164 ( 3.848 -0.642 0.388) 3.920 3.216 ( -4.058 -2.583 -8.893) 10.111 3.293 ( 4.896 -1.820 -11.032) 12.206 3.435 ( -8.542 -2.228 6.521) 10.975 3.630 ( -8.630 -10.097 -2.980) 13.613 3.825 ( -0.692 11.109 0.215) 11.133 4.073 ( -0.868 4.075 -1.629) 4.473 4.282 ( 2.562 6.567 4.646) 8.442 4.538 ( 2.256 -3.363 2.924) 4.995 4.678 ( 1.671 1.721 -3.701) 4.410 4.758 ( 1.219 2.235 -2.362) 3.473 4.861 ( -1.364 -0.790 -1.454) 2.145 5.069 ( -3.382 -3.513 -2.847) 5.647 5.122 ( 0.574 -0.738 5.839) 5.914 5.240 ( -0.311 -3.967 2.623) 4.766 6.212 ( 0.981 2.675 2.808) 4.001 6.367 ( 2.056 -2.872 4.052) 5.376 6.649 ( 1.748 8.342 -3.703) 9.293 6.882 ( 4.211 -0.487 -5.253) 6.750 6.978 ( -0.236 9.433 1.965) 9.638 7.164 ( -0.091 2.144 -3.083) 3.756 7.646 ( -0.607 2.924 1.196) 3.216 7.740 ( 0.172 -0.922 2.136) 2.333 8.212 ( -1.748 0.120 -1.432) 2.263 8.406 ( -6.927 -7.221 2.958) 10.434 8.503 ( -2.246 -1.154 -1.216) 2.803 8.565 ( -0.324 -2.894 -2.264) 3.689 8.940 ( -1.565 3.847 1.650) 4.469 9.070 ( 0.063 -2.074 -2.017) 2.894 9.370 ( -0.857 -2.213 -1.653) 2.892 9.474 ( -4.613 -5.196 -3.069) 7.596 10.462 ( 1.701 -1.691 -4.511) 5.109 10.550 ( -0.892 -4.584 -4.366) 6.393 10.851 ( 4.330 2.420 7.263) 8.795 10.893 ( 4.964 -1.134 5.668) 7.620 12.991 ( 0.008 1.682 0.379) 1.724 13.008 ( 0.089 0.232 1.276) 1.300 14.250 ( 10.714 24.887 19.741) 33.524 14.523 ( 19.745 24.402 11.802) 33.535 15.153 ( -0.653 -4.413 2.385) 5.059 15.377 ( 6.110 -3.780 1.663) 7.375 15.863 ( 9.757 14.906 -3.522) 18.160 16.035 ( -5.905 10.791 2.359) 12.525 17.593 ( -6.034 -18.448 -18.665) 26.928 17.870 ( -21.039 -27.007 -12.728) 36.525 21.032 ( 1.459 0.446 2.009) 2.523 21.050 ( 0.101 -0.352 2.131) 2.162 ======================= Grid point 224 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -4.901 3.577 0.859) 6.128 1.737 ( -4.010 -0.066 -5.993) 7.212 1.894 ( -0.155 2.110 0.366) 2.147 1.983 ( 1.661 -1.431 0.562) 2.263 2.008 ( 6.609 -1.533 -4.019) 7.885 2.087 ( 1.205 -1.137 -4.879) 5.152 2.187 ( -0.925 2.564 5.250) 5.915 2.276 ( -1.826 2.295 4.770) 5.599 2.305 ( -3.013 5.372 2.070) 6.497 2.332 ( 4.085 5.271 3.493) 7.528 2.460 ( -4.892 -5.245 2.239) 7.514 2.634 ( 4.196 -5.520 4.589) 8.315 2.862 ( -1.422 2.868 -6.722) 7.445 3.080 ( 0.471 1.086 -10.720) 10.785 3.219 ( -3.006 -9.255 -1.448) 9.838 3.297 ( -5.711 -4.388 1.867) 7.440 3.356 ( 5.172 -5.063 -0.267) 7.242 3.441 ( 1.051 -10.326 -9.424) 14.019 3.887 ( 3.089 11.204 4.753) 12.556 4.050 ( 0.076 7.526 -2.468) 7.921 4.397 ( 0.050 6.477 7.884) 10.203 4.613 ( 2.015 -4.117 4.145) 6.180 4.673 ( 4.191 4.185 -5.253) 7.917 4.753 ( -2.264 0.578 -3.134) 3.910 4.777 ( -3.530 -0.204 0.568) 3.581 4.971 ( -0.913 -4.329 -5.640) 7.168 5.206 ( 1.607 -1.419 4.541) 5.022 5.251 ( -1.093 -3.089 1.665) 3.675 6.277 ( 0.658 4.294 5.070) 6.677 6.442 ( 0.458 0.160 2.795) 2.837 6.633 ( 1.349 5.381 -2.005) 5.899 6.855 ( 2.178 0.793 -6.157) 6.579 6.997 ( -0.975 6.324 1.091) 6.491 7.118 ( -0.139 2.844 -3.884) 4.816 7.654 ( -2.457 4.670 3.077) 6.108 7.748 ( 1.260 1.782 -0.637) 2.274 8.230 ( 1.072 -5.180 1.577) 5.520 8.306 ( -2.717 -6.790 -0.554) 7.334 8.469 ( -1.435 -0.309 0.825) 1.684 8.565 ( 1.819 -4.314 -2.245) 5.192 8.939 ( -1.238 3.986 2.147) 4.694 9.052 ( 0.592 -0.692 -2.616) 2.770 9.346 ( 0.078 -4.306 -1.274) 4.491 9.382 ( -1.238 -4.119 -3.397) 5.481 10.441 ( -0.013 -3.006 -1.482) 3.352 10.489 ( -0.625 -5.226 -3.712) 6.441 10.962 ( -0.340 2.620 5.551) 6.148 10.996 ( 0.837 0.202 3.768) 3.865 12.980 ( -1.970 3.555 1.196) 4.237 13.012 ( -0.845 1.538 0.704) 1.890 14.621 ( 3.207 24.639 20.620) 32.289 14.867 ( 8.198 36.595 7.317) 38.210 15.192 ( -1.809 -7.011 10.664) 12.890 15.468 ( 1.465 -0.902 3.478) 3.881 15.730 ( -24.775 18.663 -5.967) 31.587 16.034 ( 12.901 15.503 -4.091) 20.580 17.428 ( -12.430 -35.417 -15.035) 40.434 17.487 ( 15.978 -31.744 -14.976) 38.565 21.066 ( -0.710 0.372 2.010) 2.163 21.076 ( 0.907 0.019 1.481) 1.737 ======================= Grid point 225 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -5.454 7.934 4.409) 10.589 1.705 ( 2.855 -0.577 0.186) 2.919 1.839 ( -3.996 2.574 -0.780) 4.817 1.922 ( -6.225 -1.766 -1.596) 6.664 2.012 ( -1.880 -3.372 -1.194) 4.041 2.077 ( 3.033 -4.914 -4.869) 7.554 2.189 ( -1.211 2.118 4.515) 5.132 2.247 ( -2.523 2.480 1.320) 3.776 2.374 ( 5.094 3.092 2.150) 6.335 2.423 ( 3.304 1.416 -0.262) 3.604 2.574 ( 3.564 0.723 11.876) 12.421 2.713 ( 1.740 -2.913 -10.596) 11.126 2.781 ( 0.158 -0.694 5.091) 5.140 2.955 ( -7.268 -1.259 -13.849) 15.690 3.054 ( 1.308 -1.441 -0.812) 2.109 3.204 ( -2.781 2.616 0.915) 3.927 3.552 ( 13.925 -12.091 -1.053) 18.472 3.572 ( 14.029 -7.681 2.422) 16.176 3.966 ( -1.461 8.062 -1.979) 8.429 3.989 ( -0.626 7.757 -0.125) 7.783 4.410 ( -5.726 4.786 2.931) 8.018 4.535 ( -9.434 2.509 -1.562) 9.886 4.692 ( 4.897 0.999 -3.451) 6.073 4.705 ( -1.664 -0.369 2.563) 3.078 4.891 ( 8.295 -2.065 3.153) 9.111 4.914 ( 1.241 -5.141 -4.241) 6.779 5.232 ( -1.295 -1.287 0.545) 1.906 5.278 ( 1.599 -2.321 1.644) 3.263 6.303 ( -3.879 5.918 2.812) 7.614 6.421 ( -1.833 3.832 -2.110) 4.743 6.664 ( 1.360 0.645 1.865) 2.397 6.816 ( 1.441 -3.203 -7.507) 8.289 6.995 ( -0.996 7.649 4.232) 8.798 7.078 ( 0.290 3.396 -3.485) 4.874 7.627 ( -3.274 3.718 1.787) 5.267 7.792 ( 2.394 -0.012 0.699) 2.494 8.189 ( 0.062 0.425 -0.546) 0.694 8.400 ( 2.753 -1.578 3.164) 4.481 8.470 ( 3.125 -5.244 0.759) 6.152 8.559 ( 1.958 -7.508 -3.112) 8.360 8.950 ( -0.765 3.446 2.916) 4.579 9.041 ( 2.182 1.200 -2.831) 3.770 9.330 ( 0.591 -3.465 -0.868) 3.621 9.387 ( 3.085 -4.840 0.048) 5.740 10.405 ( -3.045 -2.221 -0.952) 3.887 10.471 ( 1.257 -5.901 -0.335) 6.043 10.955 ( -5.888 2.918 2.216) 6.935 10.999 ( -3.885 1.016 0.958) 4.129 12.962 ( -2.917 4.199 2.657) 5.762 13.003 ( -1.183 2.005 0.917) 2.502 14.649 ( -13.964 22.668 2.692) 26.760 15.035 ( -17.249 43.383 1.954) 46.728 15.106 ( -11.596 -3.437 3.150) 12.498 15.398 ( -0.400 3.055 6.230) 6.950 15.529 ( 0.887 -2.375 4.655) 5.300 16.141 ( -0.080 8.769 -0.374) 8.777 17.225 ( 9.515 -25.032 -11.963) 29.330 17.701 ( 24.610 -29.603 -7.878) 39.294 21.063 ( -1.540 0.773 0.889) 1.939 21.098 ( 0.236 -0.663 0.550) 0.893 ======================= Grid point 226 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -4.020 13.030 8.316) 15.972 1.680 ( -7.899 8.562 3.417) 12.140 1.853 ( 3.737 -2.019 0.907) 4.343 1.870 ( 0.256 -1.536 2.424) 2.881 1.984 ( -0.640 -6.342 1.754) 6.612 2.054 ( 1.372 -4.426 -4.693) 6.595 2.198 ( -4.314 -0.839 0.321) 4.407 2.261 ( 4.620 -3.590 -0.041) 5.851 2.410 ( -3.300 1.062 -1.848) 3.928 2.471 ( 3.309 4.390 -2.354) 5.980 2.553 ( -3.427 -4.514 -8.567) 10.272 2.709 ( 1.615 -6.346 -7.757) 10.151 2.757 ( -0.879 3.506 10.884) 11.469 2.887 ( 1.628 -2.720 6.098) 6.872 3.178 ( 9.971 7.746 0.323) 12.630 3.229 ( 4.980 9.339 -0.120) 10.584 3.718 ( 5.365 -6.000 -3.824) 8.910 3.800 ( 5.949 -1.021 2.280) 6.453 3.854 ( 2.695 4.264 -0.280) 5.052 4.034 ( 0.664 -4.314 1.469) 4.605 4.305 ( -4.048 5.372 -2.511) 7.180 4.471 ( -1.523 2.005 3.376) 4.211 4.687 ( -2.488 -1.791 1.284) 3.323 4.719 ( 2.807 0.641 -3.956) 4.893 4.888 ( 1.899 -3.624 -2.187) 4.639 5.041 ( 3.322 -5.485 2.474) 6.873 5.226 ( 2.024 0.838 -1.155) 2.476 5.304 ( 0.677 -1.588 -0.569) 1.818 6.249 ( -2.706 6.123 -0.499) 6.713 6.360 ( -3.109 1.466 -1.663) 3.819 6.681 ( -0.133 -0.669 -1.446) 1.598 6.726 ( -4.752 -2.355 -2.664) 5.936 7.034 ( -1.354 5.869 1.549) 6.219 7.089 ( 5.189 5.561 0.568) 7.627 7.607 ( -1.530 1.551 1.646) 2.731 7.788 ( -2.614 -5.655 -0.285) 6.236 8.279 ( 8.544 7.527 -0.659) 11.406 8.405 ( -0.495 1.357 3.213) 3.523 8.488 ( -2.675 -4.939 -0.258) 5.623 8.685 ( 13.564 -8.708 -0.195) 16.120 8.984 ( 0.458 2.846 3.737) 4.719 9.050 ( 3.269 1.593 -3.970) 5.384 9.350 ( 1.575 -2.200 0.701) 2.795 9.466 ( 4.131 -6.138 3.286) 8.095 10.337 ( -5.198 0.975 1.052) 5.392 10.489 ( -1.253 -5.614 1.632) 5.979 10.830 ( -9.963 3.545 -1.088) 10.631 10.908 ( -5.632 0.037 -1.726) 5.891 12.950 ( -2.621 4.075 3.323) 5.876 13.000 ( -0.611 0.900 1.148) 1.581 14.347 ( -23.919 16.291 -5.561) 29.469 14.403 ( -32.664 10.583 -6.595) 34.963 15.175 ( 4.659 7.964 -5.306) 10.644 15.480 ( -3.272 9.646 7.545) 12.676 15.599 ( 3.755 -7.743 1.476) 8.731 16.008 ( -14.938 -4.625 1.996) 15.764 17.464 ( 24.369 1.926 1.167) 24.473 18.060 ( 24.895 -20.829 -0.123) 32.460 21.038 ( -1.843 0.811 -0.349) 2.043 21.094 ( -0.515 -1.543 -0.741) 1.788 ======================= Grid point 227 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -5.223 12.524 7.451) 15.480 1.621 ( -5.935 13.234 6.272) 15.802 1.869 ( -1.692 -3.852 1.402) 4.435 1.965 ( 4.591 1.927 -3.160) 5.897 1.996 ( 0.626 -3.040 -7.209) 7.849 2.018 ( 1.840 -6.580 2.988) 7.458 2.127 ( -5.189 -2.258 2.641) 6.245 2.269 ( -0.429 -1.342 -4.072) 4.309 2.313 ( 1.006 -6.268 -6.455) 9.054 2.439 ( -0.158 -0.836 -6.912) 6.964 2.513 ( 4.281 -2.895 -0.626) 5.205 2.633 ( -1.234 -5.962 -5.476) 8.189 2.914 ( 0.987 6.459 10.796) 12.620 3.023 ( 2.742 -2.185 15.269) 15.666 3.307 ( 6.890 11.296 -0.400) 13.238 3.358 ( 7.603 10.268 3.025) 13.130 3.673 ( -0.308 6.981 -0.604) 7.014 3.864 ( 0.677 2.534 -0.848) 2.757 3.973 ( 4.761 -8.031 -1.864) 9.520 4.040 ( 0.325 -1.822 1.806) 2.586 4.253 ( -1.136 3.894 -0.699) 4.116 4.487 ( -1.202 -2.295 -0.198) 2.598 4.683 ( 0.916 -2.752 1.231) 3.150 4.688 ( -0.553 -0.141 -4.401) 4.438 4.938 ( 4.935 -2.153 0.677) 5.427 5.066 ( 0.104 -5.600 0.347) 5.612 5.268 ( 3.361 0.076 -2.675) 4.296 5.293 ( 1.634 -0.720 -2.450) 3.032 6.226 ( 0.382 2.532 -0.655) 2.643 6.307 ( -1.102 -0.165 -0.215) 1.135 6.614 ( -4.837 -1.190 -1.989) 5.363 6.634 ( -4.032 -1.757 -1.081) 4.529 7.029 ( -0.314 8.358 0.304) 8.369 7.173 ( 3.361 4.050 -0.143) 5.265 7.613 ( -0.581 0.191 2.235) 2.317 7.748 ( -1.603 -5.181 0.544) 5.451 8.305 ( -1.686 2.249 0.016) 2.810 8.444 ( -2.394 -5.335 0.957) 5.925 8.559 ( 12.094 7.498 0.122) 14.231 8.896 ( 12.104 -7.024 -0.573) 14.006 9.024 ( 1.169 1.981 -1.335) 2.659 9.096 ( 6.372 2.368 2.908) 7.393 9.375 ( 0.170 -0.765 -0.193) 0.807 9.570 ( 3.344 -7.617 3.171) 8.903 10.256 ( -9.917 4.160 4.567) 11.684 10.419 ( -10.478 -2.139 1.858) 10.854 10.653 ( -7.686 5.883 -1.595) 9.810 10.837 ( 0.549 -3.617 -2.290) 4.316 12.951 ( -1.750 3.648 1.992) 4.510 13.013 ( 1.029 -0.628 1.292) 1.767 13.729 ( -33.043 8.433 -6.445) 34.706 13.972 ( -17.083 -3.281 -12.461) 21.398 15.154 ( 2.254 7.559 -6.695) 10.346 15.450 ( -3.704 2.737 -0.835) 4.680 15.657 ( 3.210 -7.211 -2.616) 8.316 15.785 ( -14.993 -4.302 3.107) 15.905 17.928 ( 21.660 15.136 12.151) 29.084 18.467 ( 20.581 -11.299 5.768) 24.177 21.001 ( -1.468 0.340 -1.232) 1.947 21.067 ( -0.930 -2.399 -1.886) 3.190 ======================= Grid point 228 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -9.334 11.213 0.435) 14.596 1.534 ( -7.585 10.582 3.965) 13.610 1.844 ( -2.087 -0.388 -2.847) 3.551 1.868 ( -3.785 -1.316 -4.797) 6.251 1.967 ( 0.330 1.829 -4.684) 5.039 2.037 ( -4.434 -9.099 -7.130) 12.381 2.114 ( 5.965 -5.417 -0.891) 8.107 2.255 ( 1.154 -3.157 -5.717) 6.632 2.284 ( 3.985 -1.841 3.349) 5.522 2.414 ( 4.020 0.316 -2.906) 4.970 2.574 ( 0.331 -4.050 -3.567) 5.407 2.601 ( 4.491 -8.983 4.920) 11.184 3.084 ( 2.413 10.529 14.363) 17.972 3.253 ( 2.541 -0.702 15.175) 15.402 3.410 ( 4.312 9.918 2.833) 11.180 3.505 ( 3.936 9.202 6.025) 11.681 3.717 ( 2.413 7.871 3.123) 8.805 3.808 ( -2.757 1.807 -2.560) 4.174 3.973 ( 0.366 -1.930 -2.571) 3.236 4.064 ( -0.505 -0.594 -2.040) 2.184 4.228 ( -0.716 3.052 -0.752) 3.224 4.424 ( -2.674 -3.311 -3.708) 5.645 4.618 ( -1.792 -0.601 -3.700) 4.155 4.708 ( 0.393 -3.877 0.027) 3.897 5.000 ( 1.540 -1.968 -0.389) 2.529 5.118 ( 4.484 -3.631 1.484) 5.957 5.223 ( -1.352 0.900 -3.958) 4.278 5.338 ( 5.789 -3.801 -3.983) 7.989 6.237 ( 1.762 0.509 -0.319) 1.861 6.326 ( 1.051 -2.333 2.161) 3.350 6.521 ( -5.053 -0.348 -0.307) 5.074 6.564 ( -1.493 -2.531 -2.266) 3.710 7.026 ( -0.128 7.821 -0.176) 7.824 7.175 ( -0.264 2.403 -3.436) 4.201 7.637 ( -0.543 1.164 3.522) 3.749 7.754 ( 0.137 -2.139 1.818) 2.810 8.282 ( -1.262 2.952 0.723) 3.291 8.441 ( 0.117 -4.073 1.262) 4.266 8.708 ( 7.100 4.420 -1.025) 8.426 9.002 ( 4.307 -6.691 -2.161) 8.246 9.072 ( 4.417 1.777 -0.025) 4.761 9.250 ( 3.527 -4.967 -1.983) 6.407 9.358 ( 3.302 6.960 1.551) 7.858 9.639 ( 2.438 -6.242 1.040) 6.781 10.102 ( -14.394 4.731 4.926) 15.933 10.240 ( -12.410 -0.497 2.667) 12.703 10.613 ( 0.764 8.421 3.319) 9.084 10.847 ( 2.481 -3.994 -2.105) 5.152 12.902 ( -3.544 4.545 -3.727) 6.863 13.077 ( 2.998 -2.931 2.267) 4.767 13.225 ( -20.261 4.332 -3.371) 20.991 13.585 ( -10.151 -14.206 -14.292) 22.563 15.119 ( 1.954 7.223 -4.698) 8.835 15.375 ( -1.572 -0.191 -4.712) 4.971 15.616 ( -9.037 -1.646 2.393) 9.492 15.645 ( 0.060 -6.302 -3.937) 7.431 18.379 ( 13.153 17.740 16.424) 27.522 18.804 ( 11.457 -4.121 6.258) 13.689 20.969 ( -0.591 -0.524 -1.442) 1.644 21.027 ( -0.781 -2.942 -2.587) 3.995 ======================= Grid point 229 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -6.893 -7.352 -7.669) 12.664 1.453 ( -6.893 7.352 -7.669) 12.664 1.732 ( -2.266 -6.874 1.615) 7.416 1.732 ( -2.266 6.874 1.615) 7.416 1.969 ( -1.320 -3.727 -0.177) 3.958 1.969 ( -1.320 3.727 -0.177) 3.958 2.068 ( 4.024 -3.946 -7.267) 9.197 2.068 ( 4.024 3.946 -7.267) 9.197 2.450 ( 1.231 -3.065 -2.463) 4.120 2.450 ( 1.231 3.065 -2.463) 4.120 2.574 ( 4.285 -6.116 4.181) 8.558 2.574 ( 4.285 6.116 4.181) 8.558 3.409 ( -1.209 -1.587 15.520) 15.647 3.409 ( -1.209 1.587 15.520) 15.647 3.689 ( 2.866 -7.450 -0.384) 7.991 3.689 ( 2.866 7.450 -0.384) 7.991 3.823 ( -1.162 -6.416 4.567) 7.961 3.823 ( -1.162 6.416 4.567) 7.961 3.957 ( -4.004 -2.346 0.177) 4.644 3.957 ( -4.004 2.346 0.177) 4.644 4.251 ( -0.993 -3.602 -3.904) 5.403 4.251 ( -0.993 3.602 -3.904) 5.403 4.629 ( 3.410 -4.282 -3.044) 6.263 4.629 ( 3.410 4.282 -3.044) 6.263 4.996 ( -2.022 -3.426 -2.678) 4.796 4.996 ( -2.022 3.426 -2.678) 4.796 5.289 ( 1.726 -2.652 -2.044) 3.767 5.289 ( 1.726 2.652 -2.044) 3.767 6.310 ( 1.099 -1.770 1.390) 2.504 6.310 ( 1.099 1.770 1.390) 2.504 6.478 ( 0.186 -1.901 -0.965) 2.140 6.478 ( 0.186 1.901 -0.965) 2.140 7.105 ( -0.179 -2.485 -3.467) 4.269 7.105 ( -0.179 2.485 -3.467) 4.269 7.741 ( -0.828 -3.389 4.248) 5.497 7.741 ( -0.828 3.389 4.248) 5.497 8.388 ( 0.397 -4.986 3.932) 6.363 8.388 ( 0.397 4.986 3.932) 6.363 8.863 ( 0.291 -7.673 -4.377) 8.839 8.863 ( 0.291 7.673 -4.377) 8.839 9.126 ( -0.558 -0.839 -1.496) 1.804 9.126 ( -0.558 0.839 -1.496) 1.804 9.554 ( 0.441 -4.042 -0.643) 4.116 9.554 ( 0.441 4.042 -0.643) 4.116 10.115 ( -2.780 -3.916 5.231) 7.101 10.115 ( -2.780 3.916 5.231) 7.101 10.792 ( 1.092 -3.780 0.831) 4.022 10.792 ( 1.092 3.780 0.831) 4.022 12.869 ( -5.207 -4.455 -6.401) 9.378 12.869 ( -5.207 4.455 -6.401) 9.378 13.226 ( 4.647 -4.177 -1.028) 6.332 13.226 ( 4.647 4.177 -1.028) 6.332 15.215 ( 0.704 -5.106 -6.005) 7.913 15.215 ( 0.704 5.106 -6.005) 7.913 15.561 ( -0.864 -1.079 1.479) 2.025 15.561 ( -0.864 1.079 1.479) 2.025 18.896 ( 0.758 -6.471 8.439) 10.661 18.896 ( 0.758 6.471 8.439) 10.661 20.948 ( 0.075 -1.058 -1.859) 2.140 20.948 ( 0.075 1.058 -1.859) 2.140 ======================= Grid point 231 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 1.578 -2.952 1.943) 3.870 1.372 ( 1.578 2.952 1.943) 3.870 1.747 ( 0.657 -8.378 3.865) 9.250 1.747 ( 0.657 8.378 3.865) 9.250 1.948 ( -0.705 -4.221 -0.546) 4.314 1.948 ( -0.705 4.221 -0.546) 4.314 2.070 ( 4.664 -2.336 -5.001) 7.227 2.070 ( 4.664 2.336 -5.001) 7.227 2.436 ( 1.089 -0.715 -2.670) 2.971 2.436 ( 1.089 0.715 -2.670) 2.971 2.604 ( -3.017 -1.648 -1.594) 3.789 2.604 ( -3.017 1.648 -1.594) 3.789 3.484 ( -6.409 -3.474 8.038) 10.851 3.484 ( -6.409 3.474 8.038) 10.851 3.684 ( -2.208 -0.991 -3.855) 4.552 3.684 ( -2.208 0.991 -3.855) 4.552 3.811 ( -7.371 -4.732 2.796) 9.194 3.811 ( -7.371 4.732 2.796) 9.194 3.932 ( 1.115 -5.341 4.597) 7.135 3.932 ( 1.115 5.341 4.597) 7.135 4.231 ( 2.233 -1.344 -0.880) 2.751 4.231 ( 2.233 1.344 -0.880) 2.751 4.680 ( 6.977 -3.593 -4.020) 8.818 4.680 ( 6.977 3.593 -4.020) 8.818 4.954 ( -0.993 -2.627 0.506) 2.854 4.954 ( -0.993 2.627 0.506) 2.854 5.241 ( -4.336 -1.316 -2.464) 5.158 5.241 ( -4.336 1.316 -2.464) 5.158 6.303 ( -2.520 -3.750 -0.204) 4.523 6.303 ( -2.520 3.750 -0.204) 4.523 6.536 ( 7.644 -2.020 -0.874) 7.954 6.536 ( 7.644 2.020 -0.874) 7.954 7.084 ( 0.832 -0.226 -1.085) 1.386 7.084 ( 0.832 0.226 -1.085) 1.386 7.758 ( -1.899 -2.474 2.537) 4.021 7.758 ( -1.899 2.474 2.537) 4.021 8.433 ( 0.515 -3.447 1.992) 4.015 8.433 ( 0.515 3.447 1.992) 4.015 8.737 ( -8.476 -4.823 -2.961) 10.192 8.737 ( -8.476 4.823 -2.961) 10.192 9.148 ( 2.214 -4.190 0.208) 4.744 9.148 ( 2.214 4.190 0.208) 4.744 9.508 ( -4.317 -3.049 0.320) 5.294 9.508 ( -4.317 3.049 0.320) 5.294 10.200 ( 5.844 -2.703 3.483) 7.321 10.200 ( 5.844 2.703 3.483) 7.321 10.799 ( -0.509 -1.504 -0.675) 1.725 10.799 ( -0.509 1.504 -0.675) 1.725 12.805 ( 1.790 -2.280 -0.075) 2.900 12.805 ( 1.790 2.280 -0.075) 2.900 13.367 ( 15.379 -5.600 -3.092) 16.656 13.367 ( 15.379 5.600 -3.092) 16.656 15.169 ( 0.416 -1.159 -3.519) 3.728 15.169 ( 0.416 1.159 -3.519) 3.728 15.604 ( 4.028 -1.381 1.749) 4.604 15.604 ( 4.028 1.381 1.749) 4.604 18.870 ( -12.265 -3.613 3.327) 13.212 18.870 ( -12.265 3.613 3.327) 13.212 20.942 ( 1.170 -0.922 -0.973) 1.779 20.942 ( 1.170 0.922 -0.973) 1.779 ======================= Grid point 233 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 5.513 -1.753 9.634) 11.238 1.511 ( 5.513 1.753 9.634) 11.238 1.848 ( 5.186 -6.204 5.088) 9.553 1.848 ( 5.186 6.204 5.088) 9.553 1.929 ( -1.067 -3.353 -0.848) 3.620 1.929 ( -1.067 3.353 -0.848) 3.620 2.102 ( 5.278 -0.437 -3.259) 6.218 2.102 ( 5.278 0.437 -3.259) 6.218 2.399 ( -3.137 -6.302 -4.825) 8.535 2.399 ( -3.137 6.302 -4.825) 8.535 2.498 ( -2.721 -1.361 -2.681) 4.055 2.498 ( -2.721 1.361 -2.681) 4.055 3.412 ( -8.709 -8.011 2.924) 12.190 3.412 ( -8.709 8.011 2.924) 12.190 3.555 ( -6.491 -1.896 -5.870) 8.955 3.555 ( -6.491 1.896 -5.870) 8.955 3.692 ( -8.984 -9.276 1.436) 12.993 3.692 ( -8.984 9.276 1.436) 12.993 4.018 ( 2.625 -7.348 2.181) 8.102 4.018 ( 2.625 7.348 2.181) 8.102 4.290 ( 3.598 -4.218 1.542) 5.754 4.290 ( 3.598 4.218 1.542) 5.754 4.735 ( 5.111 -1.339 -4.281) 6.800 4.735 ( 5.111 1.339 -4.281) 6.800 4.967 ( -0.548 -6.861 2.377) 7.282 4.967 ( -0.548 6.861 2.377) 7.282 5.136 ( -4.566 -2.836 -0.344) 5.386 5.136 ( -4.566 2.836 -0.344) 5.386 6.256 ( -2.088 -4.608 -0.389) 5.074 6.256 ( -2.088 4.608 -0.389) 5.074 6.664 ( 9.714 -1.603 -2.497) 10.157 6.664 ( 9.714 1.603 -2.497) 10.157 7.101 ( 0.849 -2.485 1.315) 2.937 7.101 ( 0.849 2.485 1.315) 2.937 7.736 ( -2.848 -0.975 0.555) 3.061 7.736 ( -2.848 0.975 0.555) 3.061 8.432 ( -0.597 -5.025 -2.531) 5.658 8.432 ( -0.597 5.025 -2.531) 5.658 8.600 ( -7.560 -4.162 3.109) 9.173 8.600 ( -7.560 4.162 3.109) 9.173 9.129 ( -3.784 -6.580 -1.400) 7.718 9.129 ( -3.784 6.580 -1.400) 7.718 9.471 ( -1.442 -6.392 1.205) 6.662 9.471 ( -1.442 6.392 1.205) 6.662 10.356 ( 8.733 -3.166 2.719) 9.679 10.356 ( 8.733 3.166 2.719) 9.679 10.762 ( -1.730 -1.482 -1.957) 3.003 10.762 ( -1.730 1.482 -1.957) 3.003 12.881 ( 3.157 -2.049 3.975) 5.474 12.881 ( 3.157 2.049 3.975) 5.474 13.665 ( 24.621 -2.628 -0.562) 24.767 13.665 ( 24.621 2.628 -0.562) 24.767 15.150 ( 0.761 -2.133 -1.399) 2.662 15.150 ( 0.761 2.133 -1.399) 2.662 15.728 ( 8.305 -3.096 2.279) 9.152 15.728 ( 8.305 3.096 2.279) 9.152 18.585 ( -22.579 -5.990 -3.580) 23.633 18.585 ( -22.579 5.990 -3.580) 23.633 20.962 ( 1.687 -1.096 0.335) 2.039 20.962 ( 1.687 1.096 0.335) 2.039 ======================= Grid point 235 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 3.891 -2.977 10.641) 11.715 1.712 ( 3.891 2.977 10.641) 11.715 1.887 ( -0.773 -2.251 -2.831) 3.698 1.887 ( -0.773 2.251 -2.831) 3.698 1.983 ( 4.792 -1.080 2.667) 5.590 1.983 ( 4.792 1.080 2.667) 5.590 2.146 ( 1.777 -6.399 -4.139) 7.825 2.146 ( 1.777 6.399 -4.139) 7.825 2.282 ( 0.041 -9.977 -1.878) 10.153 2.282 ( 0.041 9.977 -1.878) 10.153 2.486 ( 0.309 -2.107 0.670) 2.233 2.486 ( 0.309 2.107 0.670) 2.233 3.299 ( -7.226 -8.427 -0.912) 11.138 3.299 ( -7.226 8.427 -0.912) 11.138 3.352 ( -10.042 -3.642 -4.165) 11.465 3.352 ( -10.042 3.642 -4.165) 11.465 3.572 ( -5.865 -9.644 -1.639) 11.406 3.572 ( -5.865 9.644 -1.639) 11.406 4.048 ( -0.148 -8.159 -0.310) 8.166 4.048 ( -0.148 8.159 -0.310) 8.166 4.353 ( 2.121 -6.565 1.582) 7.078 4.353 ( 2.121 6.565 1.582) 7.078 4.748 ( 2.738 -2.501 -3.735) 5.263 4.748 ( 2.738 2.501 -3.735) 5.263 4.961 ( -0.677 -6.392 -0.869) 6.487 4.961 ( -0.677 6.392 -0.869) 6.487 5.127 ( -0.887 -2.208 4.729) 5.294 5.127 ( -0.887 2.208 4.729) 5.294 6.241 ( -0.339 -3.983 1.579) 4.298 6.241 ( -0.339 3.983 1.579) 4.298 6.770 ( 7.999 -4.163 -4.625) 10.135 6.770 ( 7.999 4.163 -4.625) 10.135 7.128 ( 0.197 -4.992 1.455) 5.203 7.128 ( 0.197 4.992 1.455) 5.203 7.698 ( -1.569 -1.375 0.105) 2.089 7.698 ( -1.569 1.375 0.105) 2.089 8.368 ( -5.097 -5.929 -0.121) 7.820 8.368 ( -5.097 5.929 -0.121) 7.820 8.545 ( -2.955 -5.062 0.667) 5.899 8.545 ( -2.955 5.062 0.667) 5.899 9.047 ( -3.400 -4.986 -0.826) 6.092 9.047 ( -3.400 4.986 -0.826) 6.092 9.450 ( -2.179 -5.431 -0.972) 5.932 9.450 ( -2.179 5.431 -0.972) 5.932 10.493 ( 4.573 -3.898 -1.447) 6.181 10.493 ( 4.573 3.898 -1.447) 6.181 10.748 ( 2.131 -1.030 2.761) 3.637 10.748 ( 2.131 1.030 2.761) 3.637 12.964 ( 1.883 -0.496 3.068) 3.633 12.964 ( 1.883 0.496 3.068) 3.633 14.128 ( 25.862 -4.848 8.894) 27.775 14.128 ( 25.862 4.848 8.894) 27.775 15.167 ( 3.073 -4.219 -1.037) 5.321 15.167 ( 3.073 4.219 -1.037) 5.321 15.911 ( 10.666 -5.830 2.436) 12.397 15.911 ( 10.666 5.830 2.436) 12.397 18.085 ( -28.323 -8.854 -11.230) 31.729 18.085 ( -28.323 8.854 -11.230) 31.729 21.000 ( 1.559 -0.951 1.535) 2.386 21.000 ( 1.559 0.951 1.535) 2.386 ======================= Grid point 237 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -5.328 -6.076 0.156) 8.083 1.768 ( -5.328 6.076 0.156) 8.083 1.908 ( 3.577 -1.402 1.604) 4.163 1.908 ( 3.577 1.402 1.604) 4.163 2.035 ( 4.075 -4.459 -6.981) 9.232 2.035 ( 4.075 4.459 -6.981) 9.232 2.144 ( 2.376 -2.385 6.447) 7.272 2.144 ( 2.376 2.385 6.447) 7.272 2.356 ( 5.581 -7.246 1.766) 9.315 2.356 ( 5.581 7.246 1.766) 9.315 2.470 ( -4.369 -3.555 0.454) 5.650 2.470 ( -4.369 3.555 0.454) 5.650 3.118 ( -7.403 -5.122 -5.164) 10.378 3.118 ( -7.403 5.122 -5.164) 10.378 3.229 ( -4.810 -3.799 0.905) 6.195 3.229 ( -4.810 3.799 0.905) 6.195 3.452 ( -4.250 -5.555 -6.649) 9.650 3.452 ( -4.250 5.555 -6.649) 9.650 4.036 ( 0.449 -7.736 0.208) 7.752 4.036 ( 0.449 7.736 0.208) 7.752 4.418 ( 2.142 -6.964 4.570) 8.601 4.418 ( 2.142 6.964 4.570) 8.601 4.750 ( 2.628 -3.746 -3.776) 5.933 4.750 ( 2.628 3.746 -3.776) 5.933 4.928 ( -1.705 -7.596 -2.674) 8.231 4.928 ( -1.705 7.596 -2.674) 8.231 5.169 ( -0.671 -3.288 4.403) 5.536 5.169 ( -0.671 3.288 4.403) 5.536 6.286 ( 1.210 -4.455 5.032) 6.829 6.286 ( 1.210 4.455 5.032) 6.829 6.808 ( 4.401 -6.564 -6.332) 10.126 6.808 ( 4.401 6.564 -6.332) 10.127 7.134 ( -0.198 -5.147 -0.479) 5.173 7.134 ( -0.198 5.147 -0.479) 5.173 7.704 ( 0.828 -2.643 1.840) 3.325 7.704 ( 0.828 2.643 1.840) 3.325 8.267 ( -7.098 -5.532 0.530) 9.015 8.267 ( -7.098 5.532 0.530) 9.015 8.514 ( -0.165 -1.959 -1.711) 2.606 8.514 ( -0.165 1.959 -1.711) 2.606 9.015 ( -0.557 -3.483 0.209) 3.533 9.015 ( -0.557 3.483 0.209) 3.533 9.382 ( -2.947 -3.273 -2.906) 5.277 9.382 ( -2.947 3.273 -2.906) 5.277 10.473 ( -0.274 -2.679 -4.578) 5.311 10.473 ( -0.274 2.679 -4.578) 5.311 10.881 ( 4.557 -0.723 6.907) 8.307 10.881 ( 4.557 0.723 6.907) 8.307 13.009 ( 0.461 -0.256 1.819) 1.894 13.009 ( 0.461 0.256 1.819) 1.894 14.641 ( 15.974 -12.215 19.417) 27.954 14.641 ( 15.974 12.215 19.417) 27.954 15.228 ( 7.059 -10.622 -2.168) 12.937 15.228 ( 7.059 10.622 -2.168) 12.937 16.107 ( 9.306 -6.006 2.523) 11.360 16.107 ( 9.306 6.006 2.523) 11.360 17.467 ( -25.213 -9.011 -19.114) 32.897 17.467 ( -25.213 9.011 -19.114) 32.897 21.041 ( 0.960 -0.487 2.085) 2.347 21.041 ( 0.960 0.487 2.085) 2.347 ======================= Grid point 239 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -4.006 -5.504 -1.664) 7.007 1.664 ( -4.006 5.504 -1.664) 7.007 1.942 ( 0.323 -2.433 -1.754) 3.017 1.942 ( 0.323 2.433 -1.754) 3.017 2.032 ( 3.171 -3.443 -4.800) 6.704 2.032 ( 3.171 3.443 -4.800) 6.704 2.266 ( 0.394 -3.647 5.976) 7.012 2.266 ( 0.394 3.647 5.976) 7.012 2.372 ( -5.423 -2.828 1.128) 6.219 2.372 ( -5.423 2.828 1.128) 6.219 2.490 ( 6.007 -8.577 5.294) 11.734 2.490 ( 6.007 8.577 5.294) 11.734 2.991 ( -5.697 -8.654 -0.937) 10.403 2.991 ( -5.697 8.654 -0.937) 10.403 3.201 ( 2.013 -6.097 -3.426) 7.277 3.201 ( 2.013 6.097 -3.426) 7.277 3.297 ( 0.583 -2.398 -9.028) 9.359 3.297 ( 0.583 2.398 -9.028) 9.359 4.080 ( 1.493 -5.596 2.425) 6.279 4.080 ( 1.493 5.596 2.425) 6.279 4.511 ( 0.301 -5.323 6.285) 8.242 4.511 ( 0.301 5.323 6.285) 8.242 4.740 ( 1.486 -2.087 -3.918) 4.681 4.740 ( 1.486 2.087 -3.918) 4.681 4.846 ( -1.840 -6.497 -4.316) 8.014 4.846 ( -1.840 6.497 -4.316) 8.014 5.207 ( -0.061 -1.305 3.277) 3.528 5.207 ( -0.061 1.305 3.277) 3.528 6.376 ( 0.230 -5.094 7.212) 8.832 6.376 ( 0.230 5.094 7.212) 8.832 6.776 ( 2.445 -6.967 -8.295) 11.105 6.776 ( 2.445 6.967 -8.295) 11.105 7.115 ( -0.922 -3.551 -0.855) 3.767 7.115 ( -0.922 3.551 -0.855) 3.767 7.740 ( -0.885 -3.023 2.825) 4.231 7.740 ( -0.885 3.023 2.825) 4.231 8.198 ( 0.142 -2.696 -0.503) 2.746 8.198 ( 0.142 2.696 -0.503) 2.746 8.493 ( -0.681 -2.635 -1.312) 3.022 8.493 ( -0.681 2.635 -1.312) 3.022 9.017 ( 0.008 -3.193 0.322) 3.209 9.017 ( 0.008 3.193 0.322) 3.209 9.316 ( -0.442 -1.561 -2.846) 3.276 9.316 ( -0.442 1.561 -2.846) 3.276 10.422 ( -0.580 -1.315 -2.643) 3.008 10.422 ( -0.580 1.315 -2.643) 3.008 10.994 ( 0.454 -0.694 4.978) 5.047 10.994 ( 0.454 0.694 4.978) 5.047 13.023 ( -1.123 -0.721 1.703) 2.163 13.023 ( -1.123 0.721 1.703) 2.163 14.991 ( -0.453 -13.317 16.628) 21.308 14.991 ( -0.453 13.317 16.628) 21.308 15.358 ( 7.059 -12.475 4.733) 15.095 15.358 ( 7.059 12.475 4.733) 15.095 16.168 ( -12.166 -14.538 3.978) 19.370 16.168 ( -12.166 14.538 3.978) 19.370 17.000 ( 6.612 -6.565 -24.940) 26.624 17.000 ( 6.612 6.565 -24.940) 26.624 21.073 ( 0.093 -0.297 1.756) 1.783 21.073 ( 0.093 0.297 1.756) 1.783 ======================= Grid point 241 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 1.512 -5.211 3.007) 6.204 1.650 ( 1.512 5.211 3.007) 6.204 1.882 ( -4.241 -2.770 -1.847) 5.392 1.882 ( -4.241 2.770 -1.847) 5.392 2.002 ( -0.812 -2.272 -3.177) 3.990 2.002 ( -0.812 2.272 -3.177) 3.990 2.234 ( -5.965 -2.619 3.458) 7.376 2.234 ( -5.965 2.619 3.458) 7.376 2.421 ( 4.093 -1.609 2.642) 5.130 2.421 ( 4.093 1.609 2.642) 5.130 2.646 ( 5.871 -4.511 2.701) 7.881 2.646 ( 5.871 4.511 2.700) 7.881 2.817 ( -9.416 -5.799 -5.900) 12.534 2.817 ( -9.416 5.799 -5.900) 12.534 3.223 ( 8.502 -8.721 -2.794) 12.496 3.223 ( 8.502 8.721 -2.794) 12.496 3.390 ( 12.313 -4.828 0.492) 13.234 3.390 ( 12.313 4.828 0.492) 13.234 4.078 ( -3.929 -1.981 -0.421) 4.420 4.078 ( -3.929 1.981 -0.421) 4.420 4.519 ( -4.921 -4.699 2.832) 7.370 4.519 ( -4.921 4.699 2.832) 7.370 4.698 ( -1.145 -3.826 -3.113) 5.064 4.698 ( -1.145 3.826 -3.113) 5.064 4.855 ( 5.498 -1.945 -0.580) 5.861 4.855 ( 5.498 1.945 -0.580) 5.861 5.237 ( 0.514 -1.556 1.475) 2.204 5.237 ( 0.514 1.556 1.475) 2.204 6.414 ( -3.967 -4.303 3.749) 6.950 6.414 ( -3.967 4.303 3.749) 6.950 6.724 ( 1.903 -5.105 -6.345) 8.363 6.724 ( 1.903 5.105 -6.345) 8.363 7.099 ( -0.317 -2.109 0.470) 2.184 7.099 ( -0.317 2.109 0.470) 2.184 7.722 ( -3.938 -5.436 1.533) 6.885 7.722 ( -3.938 5.436 1.533) 6.885 8.285 ( 10.265 -7.676 0.179) 12.819 8.285 ( 10.265 7.676 0.179) 12.819 8.456 ( -2.657 -2.757 -0.309) 3.841 8.456 ( -2.657 2.757 -0.309) 3.841 9.023 ( 0.714 -3.042 0.029) 3.124 9.023 ( 0.714 3.042 0.029) 3.124 9.313 ( 2.412 -2.065 -0.823) 3.280 9.313 ( 2.412 2.065 -0.823) 3.280 10.396 ( -0.648 -1.556 -0.346) 1.721 10.396 ( -0.648 1.556 -0.346) 1.721 10.997 ( -4.644 -1.166 1.501) 5.018 10.997 ( -4.644 1.166 1.501) 5.018 13.015 ( -2.235 -0.999 1.923) 3.113 13.015 ( -2.235 0.999 1.923) 3.113 14.973 ( -17.575 -10.490 3.936) 20.843 14.973 ( -17.575 10.490 3.936) 20.843 15.453 ( -3.707 -4.230 2.263) 6.062 15.453 ( -3.707 4.230 2.263) 6.062 15.884 ( -18.392 -34.297 5.823) 39.350 15.884 ( -18.392 34.297 5.823) 39.350 17.171 ( 34.457 -19.447 -12.847) 41.599 17.171 ( 34.457 19.447 -12.847) 41.599 21.081 ( -0.834 -0.947 0.729) 1.458 21.081 ( -0.834 0.947 0.729) 1.458 ======================= Grid point 243 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.023 -8.521 6.575) 10.762 1.736 ( 0.023 8.521 6.575) 10.762 1.814 ( -2.188 -4.125 0.840) 4.744 1.814 ( -2.188 4.125 0.840) 4.744 1.976 ( 1.384 -3.920 -0.533) 4.191 1.976 ( 1.384 3.920 -0.533) 4.191 2.192 ( -3.545 -1.785 1.489) 4.239 2.192 ( -3.545 1.785 1.489) 4.239 2.456 ( -3.545 -3.707 -3.821) 6.396 2.456 ( -3.545 3.707 -3.821) 6.396 2.575 ( 2.634 -5.919 -10.153) 12.044 2.575 ( 2.634 5.919 -10.153) 12.044 2.825 ( 1.672 -3.457 9.469) 10.218 2.825 ( 1.672 3.457 9.469) 10.218 3.375 ( 10.872 -4.002 -0.404) 11.592 3.375 ( 10.872 4.002 -0.404) 11.592 3.599 ( 10.498 -5.033 0.582) 11.657 3.599 ( 10.498 5.033 0.582) 11.657 3.989 ( -4.634 -3.797 0.908) 6.059 3.989 ( -4.634 3.797 0.908) 6.059 4.461 ( -3.630 -6.013 -0.768) 7.065 4.461 ( -3.630 6.013 -0.768) 7.065 4.664 ( -0.017 -1.718 -0.792) 1.892 4.664 ( -0.017 1.718 -0.792) 1.892 4.925 ( 2.651 -5.395 0.000) 6.011 4.925 ( 2.651 5.395 0.000) 6.011 5.262 ( 1.998 -2.323 -0.616) 3.125 5.262 ( 1.998 2.323 -0.616) 3.125 6.351 ( -4.177 -3.171 -1.435) 5.437 6.351 ( -4.177 3.171 -1.435) 5.437 6.680 ( -2.515 -1.481 -1.680) 3.368 6.680 ( -2.515 1.481 -1.680) 3.368 7.125 ( 2.270 -2.050 1.090) 3.247 7.125 ( 2.270 2.050 1.090) 3.247 7.671 ( -3.341 -5.091 0.839) 6.147 7.671 ( -3.341 5.091 0.839) 6.147 8.397 ( -2.400 -3.490 -0.719) 4.296 8.397 ( -2.400 3.490 -0.719) 4.296 8.507 ( 13.446 -8.050 1.797) 15.774 8.507 ( 13.446 8.050 1.797) 15.774 9.042 ( 2.148 -2.401 -0.668) 3.290 9.042 ( 2.148 2.401 -0.668) 3.290 9.363 ( 2.796 -3.590 1.719) 4.864 9.363 ( 2.796 3.590 1.719) 4.864 10.389 ( -1.798 -4.042 1.975) 4.845 10.389 ( -1.798 4.042 1.975) 4.845 10.889 ( -7.894 -2.075 -1.787) 8.355 10.889 ( -7.894 2.075 -1.787) 8.355 13.001 ( -2.078 -1.123 1.911) 3.039 13.001 ( -2.078 1.123 1.911) 3.039 14.514 ( -34.574 -1.966 -4.905) 34.976 14.514 ( -34.574 1.966 -4.905) 34.976 15.379 ( 1.908 -11.355 -8.238) 14.157 15.379 ( 1.908 11.355 -8.238) 14.157 15.772 ( -11.791 -15.686 10.334) 22.179 15.772 ( -11.791 15.686 10.334) 22.179 17.672 ( 34.184 -16.886 0.418) 38.130 17.672 ( 34.184 16.886 0.418) 38.130 21.063 ( -1.543 -1.530 -0.544) 2.240 21.063 ( -1.543 1.530 -0.544) 2.240 ======================= Grid point 245 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -4.366 -7.670 2.855) 9.276 1.744 ( -4.366 7.670 2.855) 9.276 1.864 ( 1.462 -9.375 5.431) 10.933 1.864 ( 1.462 9.375 5.431) 10.933 1.992 ( 1.128 -2.520 -5.123) 5.820 1.992 ( 1.128 2.520 -5.123) 5.820 2.135 ( -1.425 -7.566 -2.415) 8.069 2.135 ( -1.425 7.566 -2.415) 8.069 2.325 ( -2.165 -5.142 -4.150) 6.953 2.325 ( -2.165 5.142 -4.150) 6.953 2.552 ( 2.248 -2.987 -5.952) 7.028 2.552 ( 2.248 2.987 -5.952) 7.028 2.985 ( 2.121 -1.861 14.383) 14.657 2.985 ( 2.121 1.861 14.383) 14.657 3.532 ( 8.879 -3.712 -0.282) 9.628 3.532 ( 8.879 3.712 -0.282) 9.628 3.708 ( 3.989 -6.518 -0.309) 7.648 3.708 ( 3.989 6.518 -0.309) 7.648 3.985 ( -0.775 -4.974 3.696) 6.245 3.985 ( -0.775 4.974 3.696) 6.245 4.388 ( -2.361 -8.172 -3.078) 9.046 4.388 ( -2.361 8.172 -3.078) 9.046 4.669 ( 0.243 -1.606 -0.272) 1.647 4.669 ( 0.243 1.606 -0.272) 1.647 4.962 ( 2.827 -4.092 0.719) 5.026 4.962 ( 2.827 4.092 0.719) 5.026 5.276 ( 2.301 -0.765 -3.440) 4.209 5.276 ( 2.301 0.765 -3.440) 4.209 6.282 ( -1.527 -2.513 -1.680) 3.387 6.282 ( -1.527 2.513 -1.680) 3.387 6.605 ( -5.187 -0.681 -0.024) 5.232 6.605 ( -5.187 0.681 -0.024) 5.232 7.168 ( 1.952 -4.445 -0.978) 4.953 7.168 ( 1.952 4.445 -0.978) 4.953 7.653 ( -1.145 -3.887 2.797) 4.923 7.653 ( -1.145 3.887 2.797) 4.923 8.355 ( -2.560 -3.202 1.074) 4.238 8.355 ( -2.560 3.202 1.074) 4.238 8.729 ( 12.148 -8.876 -1.448) 15.114 8.729 ( 12.148 8.876 -1.448) 15.114 9.084 ( 4.373 -2.923 -0.558) 5.289 9.084 ( 4.373 2.923 -0.558) 5.289 9.431 ( 2.372 -5.813 2.698) 6.833 9.431 ( 2.372 5.813 2.698) 6.833 10.346 ( -8.652 -4.575 3.090) 10.263 10.346 ( -8.652 4.575 3.090) 10.263 10.759 ( -3.373 -4.537 -1.862) 5.952 10.759 ( -3.373 4.537 -1.862) 5.952 12.997 ( -0.596 -1.251 1.272) 1.881 12.997 ( -0.596 1.251 1.272) 1.881 13.880 ( -32.071 -6.334 -8.901) 33.881 13.880 ( -32.071 6.334 -8.901) 33.881 15.329 ( 3.313 -9.874 -8.906) 13.703 15.329 ( 3.313 9.874 -8.906) 13.703 15.684 ( -10.135 -5.461 5.637) 12.819 15.684 ( -10.135 5.461 5.637) 12.819 18.219 ( 26.224 -13.701 8.482) 30.779 18.219 ( 26.224 13.701 8.482) 30.780 21.023 ( -1.686 -1.800 -1.579) 2.929 21.023 ( -1.686 1.800 -1.579) 2.929 ======================= Grid point 247 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -7.623 -1.873 -2.664) 8.290 1.670 ( -7.623 1.873 -2.664) 8.290 1.797 ( -4.809 -5.191 -5.823) 9.164 1.797 ( -4.809 5.191 -5.823) 9.164 1.981 ( 0.943 -4.364 -0.267) 4.472 1.981 ( 0.943 4.364 -0.267) 4.472 2.103 ( 1.767 -7.986 -6.440) 10.410 2.103 ( 1.767 7.986 -6.440) 10.410 2.360 ( 5.264 -5.675 6.080) 9.842 2.360 ( 5.264 5.675 6.080) 9.842 2.518 ( 1.530 -1.280 -4.332) 4.770 2.518 ( 1.530 1.280 -4.332) 4.770 3.207 ( 1.979 -3.236 17.590) 17.995 3.207 ( 1.979 3.236 17.590) 17.995 3.639 ( 4.682 -6.872 -0.610) 8.338 3.639 ( 4.682 6.872 -0.610) 8.338 3.767 ( 1.854 -5.840 3.376) 6.996 3.767 ( 1.854 5.840 3.376) 6.996 3.995 ( -1.543 -4.673 0.843) 4.992 3.995 ( -1.543 4.673 0.843) 4.992 4.320 ( -1.524 -6.267 -3.791) 7.481 4.320 ( -1.524 6.267 -3.791) 7.481 4.645 ( -1.201 -2.862 -1.688) 3.533 4.645 ( -1.201 2.862 -1.688) 3.533 5.024 ( 2.338 -4.141 -0.361) 4.769 5.024 ( 2.338 4.141 -0.361) 4.769 5.269 ( 3.175 -3.070 -4.059) 5.998 5.269 ( 3.175 3.070 -4.059) 5.998 6.273 ( 1.151 -2.716 0.382) 2.975 6.273 ( 1.151 2.716 0.382) 2.975 6.525 ( -4.288 -0.998 -0.185) 4.406 6.525 ( -4.288 0.998 -0.185) 4.406 7.154 ( -0.144 -4.327 -3.642) 5.657 7.154 ( -0.144 4.327 -3.642) 5.657 7.693 ( 0.064 -3.746 4.880) 6.153 7.693 ( 0.064 3.746 4.880) 6.153 8.349 ( -0.691 -4.063 2.693) 4.923 8.349 ( -0.691 4.063 2.693) 4.923 8.843 ( 6.264 -8.028 -3.420) 10.741 8.843 ( 6.264 8.028 -3.420) 10.741 9.147 ( 2.930 -4.841 -1.803) 5.939 9.147 ( 2.930 4.841 -1.803) 5.939 9.503 ( 3.854 -7.275 1.444) 8.358 9.503 ( 3.854 7.275 1.444) 8.358 10.195 ( -12.169 -3.902 3.516) 13.254 10.195 ( -12.169 3.902 3.516) 13.254 10.754 ( 1.797 -5.713 0.902) 6.056 10.754 ( 1.797 5.713 0.902) 6.056 12.997 ( -0.465 -4.752 -2.130) 5.228 12.997 ( -0.465 4.752 -2.130) 5.228 13.356 ( -18.784 -8.853 -6.889) 21.878 13.356 ( -18.784 8.853 -6.889) 21.878 15.276 ( 1.821 -8.001 -7.917) 11.403 15.276 ( 1.821 8.001 -7.917) 11.403 15.595 ( -5.929 -0.363 2.457) 6.428 15.595 ( -5.929 0.363 2.457) 6.428 18.663 ( 14.411 -10.531 10.685) 20.803 18.663 ( 14.411 10.531 10.685) 20.803 20.979 ( -1.075 -1.590 -2.063) 2.818 20.979 ( -1.075 1.590 -2.063) 2.818 ======================= Grid point 279 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 1.864 0.000 -16.716) 16.820 1.240 ( -1.864 0.000 16.716) 16.820 1.395 ( 0.060 0.000 -17.467) 17.467 1.395 ( -0.060 0.000 17.467) 17.467 2.025 ( -1.346 0.000 0.284) 1.376 2.025 ( 1.346 0.000 -0.284) 1.376 2.449 ( -1.883 0.000 -12.950) 13.086 2.449 ( 1.883 0.000 12.950) 13.086 2.511 ( 8.617 0.000 -10.090) 13.268 2.511 ( -8.617 0.000 10.090) 13.268 2.765 ( 0.525 0.000 -6.349) 6.371 2.765 ( -0.525 0.000 6.349) 6.371 2.991 ( -1.946 0.000 -5.447) 5.784 2.991 ( 1.946 0.000 5.447) 5.784 3.433 ( -0.364 0.000 -2.418) 2.445 3.433 ( 0.364 0.000 2.418) 2.445 3.704 ( -8.681 0.000 -5.269) 10.155 3.704 ( 8.681 0.000 5.269) 10.155 3.994 ( -4.523 0.000 -0.653) 4.570 3.994 ( 4.523 0.000 0.653) 4.570 4.415 ( -3.299 0.000 -10.785) 11.279 4.415 ( 3.299 0.000 10.785) 11.279 4.621 ( -0.849 0.000 -18.913) 18.932 4.621 ( 0.849 0.000 18.913) 18.932 5.084 ( -5.316 0.000 0.168) 5.318 5.084 ( 5.316 0.000 -0.168) 5.318 5.326 ( -5.773 0.000 -1.123) 5.881 5.326 ( 5.773 0.000 1.123) 5.881 6.262 ( 4.806 0.000 -4.050) 6.284 6.262 ( -4.806 0.000 4.050) 6.284 6.577 ( 5.502 0.000 -6.274) 8.344 6.577 ( -5.502 0.000 6.274) 8.344 6.942 ( -3.935 0.000 -6.026) 7.197 6.942 ( 3.935 0.000 6.026) 7.197 7.730 ( -2.823 0.000 -2.394) 3.701 7.730 ( 2.823 0.000 2.394) 3.701 8.044 ( -0.375 0.000 -2.859) 2.883 8.044 ( 0.375 0.000 2.859) 2.883 9.098 ( -5.328 0.000 -1.575) 5.556 9.098 ( 5.328 0.000 1.575) 5.556 9.231 ( 0.565 0.000 -2.998) 3.051 9.231 ( -0.565 0.000 2.998) 3.051 9.707 ( 10.355 0.000 -5.862) 11.899 9.707 ( -10.355 0.000 5.862) 11.899 9.864 ( 5.335 0.000 -4.990) 7.305 9.864 ( -5.335 0.000 4.990) 7.305 10.659 ( -1.849 0.000 -16.172) 16.277 10.659 ( 1.849 0.000 16.172) 16.277 12.990 ( 0.709 0.000 -7.418) 7.452 12.990 ( -0.709 0.000 7.418) 7.452 13.813 ( -5.870 0.000 -30.516) 31.075 13.813 ( 5.870 0.000 30.516) 31.075 14.859 ( -3.513 0.000 -0.694) 3.581 14.859 ( 3.513 0.000 0.694) 3.581 15.625 ( -5.086 0.000 -1.259) 5.240 15.625 ( 5.086 0.000 1.259) 5.240 18.445 ( -9.976 0.000 -18.763) 21.250 18.445 ( 9.976 0.000 18.763) 21.250 21.059 ( -0.258 0.000 -1.942) 1.959 21.059 ( 0.258 0.000 1.942) 1.959 ======================= Grid point 281 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 8.652 0.000 -16.952) 19.033 1.113 ( 1.827 0.000 -19.833) 19.917 1.550 ( 5.540 0.000 17.220) 18.089 1.653 ( 4.711 0.000 16.094) 16.769 2.039 ( 2.241 0.000 1.050) 2.475 2.062 ( 3.955 0.000 -1.535) 4.242 2.282 ( 4.954 0.000 -17.023) 17.729 2.457 ( -4.348 0.000 1.692) 4.665 2.538 ( 4.212 0.000 -6.102) 7.415 2.577 ( -6.547 0.000 8.299) 10.570 2.707 ( 1.040 0.000 -5.585) 5.681 2.823 ( -2.001 0.000 7.204) 7.476 2.921 ( 1.580 0.000 -6.296) 6.492 3.082 ( -1.047 0.000 1.925) 2.191 3.311 ( -3.076 0.000 -1.987) 3.662 3.424 ( -3.006 0.000 3.606) 4.694 3.579 ( -1.052 0.000 -0.307) 1.096 3.705 ( -11.369 0.000 -6.389) 13.042 3.986 ( -1.871 0.000 7.698) 7.922 4.028 ( -3.283 0.000 -3.885) 5.086 4.229 ( -4.880 0.000 -7.616) 9.045 4.397 ( 0.004 0.000 -11.378) 11.378 4.548 ( -3.489 0.000 11.027) 11.566 4.768 ( -0.184 0.000 9.329) 9.331 5.042 ( -0.305 0.000 0.697) 0.761 5.170 ( 5.507 0.000 -1.423) 5.688 5.288 ( -0.125 0.000 0.938) 0.946 5.486 ( 5.025 0.000 6.682) 8.360 6.241 ( -5.113 0.000 6.520) 8.286 6.301 ( 2.983 0.000 -0.306) 2.998 6.566 ( 2.082 0.000 -9.442) 9.669 6.578 ( -2.707 0.000 7.373) 7.854 6.793 ( -3.204 0.000 -6.654) 7.385 7.011 ( -1.035 0.000 1.288) 1.652 7.649 ( -3.953 0.000 -1.873) 4.374 7.777 ( -0.415 0.000 1.673) 1.723 8.041 ( 2.615 0.000 -0.503) 2.663 8.115 ( 3.857 0.000 3.859) 5.456 8.970 ( -7.786 0.000 1.150) 7.871 9.095 ( -4.173 0.000 -0.852) 4.259 9.140 ( -7.192 0.000 -5.414) 9.002 9.219 ( -3.260 0.000 -1.051) 3.426 9.619 ( -4.428 0.000 -3.582) 5.696 9.687 ( 6.521 0.000 6.680) 9.335 10.049 ( 11.398 0.000 -0.390) 11.404 10.121 ( 19.320 0.000 2.277) 19.454 10.469 ( 4.702 0.000 -15.969) 16.647 10.845 ( 0.953 0.000 11.944) 11.982 12.884 ( -3.008 0.000 -8.069) 8.611 13.030 ( -3.917 0.000 6.219) 7.350 13.341 ( -11.683 0.000 -19.636) 22.848 14.081 ( -13.385 0.000 27.417) 30.510 14.870 ( 2.733 0.000 1.811) 3.278 15.010 ( 8.681 0.000 5.432) 10.240 15.524 ( -5.015 0.000 -4.373) 6.654 15.756 ( 5.941 0.000 6.311) 8.668 18.110 ( 1.541 0.000 -26.164) 26.209 18.798 ( 11.026 0.000 11.321) 15.803 21.035 ( -0.697 0.000 -0.658) 0.959 21.083 ( -0.620 0.000 2.780) 2.849 ======================= Grid point 282 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 10.304 0.000 -16.386) 19.356 1.139 ( 15.619 0.000 -12.953) 20.291 1.824 ( 5.134 0.000 15.357) 16.192 1.865 ( 2.958 0.000 8.796) 9.280 2.094 ( 0.415 0.000 1.513) 1.569 2.104 ( -0.260 0.000 2.675) 2.688 2.256 ( 15.202 0.000 -16.123) 22.160 2.383 ( -7.143 0.000 0.133) 7.144 2.430 ( -10.945 0.000 -1.942) 11.116 2.493 ( -0.738 0.000 -4.593) 4.652 2.670 ( 2.314 0.000 -6.261) 6.675 2.854 ( -5.923 0.000 6.635) 8.894 2.909 ( 5.412 0.000 -5.741) 7.890 2.971 ( -1.742 0.000 -4.022) 4.383 3.344 ( -18.366 0.000 -7.889) 19.988 3.420 ( 5.758 0.000 3.893) 6.951 3.458 ( -0.985 0.000 7.460) 7.525 3.643 ( 6.798 0.000 1.557) 6.974 3.766 ( -8.409 0.000 -15.071) 17.258 3.972 ( -7.686 0.000 2.137) 7.978 4.116 ( -6.000 0.000 0.646) 6.035 4.431 ( 7.170 0.000 2.572) 7.617 4.563 ( -5.694 0.000 7.339) 9.289 4.869 ( 1.565 0.000 4.794) 5.043 5.076 ( 1.915 0.000 2.177) 2.899 5.213 ( 0.559 0.000 -0.701) 0.897 5.307 ( 1.748 0.000 -0.376) 1.788 5.515 ( -9.283 0.000 3.517) 9.927 6.245 ( -3.634 0.000 6.330) 7.299 6.327 ( -1.661 0.000 -2.355) 2.882 6.432 ( -1.564 0.000 -6.250) 6.442 6.681 ( 1.725 0.000 11.312) 11.443 6.742 ( 4.210 0.000 -5.375) 6.827 6.940 ( -5.822 0.000 -3.315) 6.700 7.566 ( -4.022 0.000 -1.425) 4.267 7.759 ( -1.474 0.000 -1.109) 1.844 8.123 ( 6.267 0.000 2.295) 6.674 8.251 ( 7.303 0.000 3.300) 8.014 8.891 ( -4.613 0.000 2.050) 5.048 8.905 ( -9.699 0.000 -5.733) 11.266 9.090 ( 2.002 0.000 -0.699) 2.121 9.106 ( -8.064 0.000 -1.615) 8.224 9.546 ( -0.519 0.000 -3.071) 3.115 9.861 ( -3.281 0.000 3.922) 5.113 10.111 ( 10.283 0.000 -2.729) 10.639 10.423 ( 15.304 0.000 0.912) 15.332 10.580 ( 18.057 0.000 -4.696) 18.657 10.949 ( -0.590 0.000 5.869) 5.899 12.741 ( -3.918 0.000 -5.093) 6.426 13.007 ( -5.875 0.000 3.839) 7.018 13.108 ( -1.655 0.000 -3.382) 3.765 14.070 ( -20.162 0.000 20.992) 29.106 14.961 ( 4.093 0.000 4.000) 5.723 15.177 ( 4.996 0.000 3.504) 6.102 15.359 ( -3.588 0.000 -10.372) 10.975 15.901 ( -2.869 0.000 11.338) 11.695 17.959 ( 17.718 0.000 -26.180) 31.612 19.002 ( 3.562 0.000 3.227) 4.807 21.025 ( -0.529 0.000 0.634) 0.825 21.099 ( -1.515 0.000 2.994) 3.356 ======================= Grid point 283 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 16.203 0.000 -7.325) 17.782 1.268 ( 17.567 0.000 -12.160) 21.365 1.916 ( -2.817 0.000 0.164) 2.822 1.996 ( -12.729 0.000 5.692) 13.943 2.057 ( 4.462 0.000 8.392) 9.505 2.084 ( -8.039 0.000 6.719) 10.477 2.281 ( -7.450 0.000 -1.418) 7.584 2.316 ( 2.034 0.000 -1.179) 2.351 2.336 ( 3.368 0.000 -4.714) 5.793 2.490 ( 7.382 0.000 -3.126) 8.017 2.661 ( 9.312 0.000 -9.936) 13.617 2.724 ( -8.164 0.000 -5.264) 9.714 2.931 ( 1.518 0.000 -2.715) 3.110 3.016 ( 3.909 0.000 2.434) 4.604 3.099 ( -2.973 0.000 0.509) 3.016 3.444 ( -2.568 0.000 -12.287) 12.552 3.523 ( 0.768 0.000 3.964) 4.038 3.534 ( 1.532 0.000 -0.431) 1.592 3.805 ( -9.848 0.000 -4.811) 10.960 3.807 ( 2.962 0.000 5.880) 6.584 4.077 ( -0.894 0.000 2.981) 3.113 4.550 ( -5.095 0.000 4.607) 6.869 4.603 ( 7.367 0.000 5.347) 9.103 4.908 ( -1.209 0.000 1.843) 2.204 5.115 ( -3.108 0.000 4.078) 5.128 5.155 ( -6.981 0.000 0.296) 6.988 5.335 ( 3.195 0.000 -2.418) 4.007 5.346 ( -9.851 0.000 -0.595) 9.869 6.182 ( -2.613 0.000 -8.473) 8.867 6.263 ( -2.385 0.000 5.250) 5.766 6.452 ( 1.177 0.000 2.993) 3.216 6.750 ( -10.197 0.000 0.458) 10.207 6.781 ( 7.054 0.000 -3.849) 8.036 6.864 ( 2.458 0.000 6.706) 7.143 7.494 ( -3.037 0.000 -0.961) 3.186 7.711 ( -0.904 0.000 -4.622) 4.710 8.285 ( 8.850 0.000 4.084) 9.747 8.391 ( 7.494 0.000 -0.789) 7.536 8.725 ( -7.325 0.000 -0.285) 7.330 8.859 ( -2.419 0.000 2.073) 3.186 8.951 ( -10.046 0.000 0.802) 10.077 9.117 ( 3.223 0.000 -3.787) 4.973 9.516 ( 1.207 0.000 -3.578) 3.776 9.714 ( -8.352 0.000 -3.599) 9.095 10.382 ( 13.712 0.000 8.000) 15.875 10.627 ( 7.885 0.000 2.368) 8.233 10.767 ( 11.949 0.000 -6.511) 13.608 10.965 ( -0.649 0.000 -0.525) 0.835 12.658 ( -1.848 0.000 -1.316) 2.269 12.935 ( -6.150 0.000 1.096) 6.247 13.121 ( 1.573 0.000 1.328) 2.059 13.921 ( -22.978 0.000 13.708) 26.756 15.082 ( 3.383 0.000 5.742) 6.664 15.254 ( 2.732 0.000 -0.264) 2.744 15.259 ( 4.732 0.000 -5.674) 7.388 15.887 ( -10.085 0.000 5.900) 11.684 18.085 ( 25.317 0.000 -15.004) 29.429 19.004 ( -2.579 0.000 -2.860) 3.851 21.033 ( 0.051 0.000 1.321) 1.322 21.102 ( -2.013 0.000 2.566) 3.261 ======================= Grid point 284 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 16.519 0.000 -0.447) 16.525 1.441 ( 18.247 0.000 -7.701) 19.805 1.815 ( -5.943 0.000 -3.852) 7.083 1.893 ( -9.456 0.000 8.572) 12.763 2.034 ( -6.262 0.000 5.870) 8.583 2.111 ( -1.065 0.000 -4.107) 4.243 2.152 ( -7.580 0.000 -2.573) 8.005 2.243 ( -11.560 0.000 3.559) 12.095 2.391 ( 6.092 0.000 1.278) 6.225 2.530 ( 0.395 0.000 -2.796) 2.824 2.590 ( -0.917 0.000 1.188) 1.501 2.746 ( 9.724 0.000 -5.965) 11.408 2.928 ( -1.782 0.000 1.438) 2.290 3.048 ( 0.401 0.000 -4.533) 4.551 3.186 ( 8.491 0.000 0.962) 8.546 3.342 ( 2.758 0.000 -5.127) 5.822 3.518 ( -4.642 0.000 0.907) 4.730 3.601 ( -7.021 0.000 -3.594) 7.888 3.619 ( 11.012 0.000 -2.349) 11.260 3.916 ( 1.090 0.000 4.842) 4.963 4.120 ( 0.357 0.000 6.446) 6.456 4.472 ( -6.107 0.000 -3.136) 6.865 4.758 ( 4.946 0.000 3.645) 6.144 4.878 ( -2.397 0.000 -1.366) 2.759 5.030 ( -6.651 0.000 -0.988) 6.724 5.045 ( -10.287 0.000 5.846) 11.832 5.274 ( -0.815 0.000 1.595) 1.791 5.338 ( 1.637 0.000 -4.174) 4.483 6.122 ( 3.830 0.000 -3.453) 5.157 6.270 ( -3.118 0.000 2.479) 3.984 6.487 ( 1.238 0.000 -0.318) 1.278 6.579 ( -9.050 0.000 0.271) 9.054 6.876 ( 7.520 0.000 -0.900) 7.574 6.964 ( -1.140 0.000 6.721) 6.817 7.457 ( -0.895 0.000 0.732) 1.156 7.613 ( -2.587 0.000 -7.393) 7.832 8.462 ( 7.629 0.000 1.512) 7.777 8.476 ( 6.165 0.000 -2.538) 6.667 8.672 ( -1.793 0.000 2.720) 3.258 8.809 ( -10.601 0.000 4.259) 11.424 8.875 ( 0.368 0.000 4.255) 4.270 9.086 ( 0.707 0.000 -7.520) 7.553 9.502 ( 2.137 0.000 -3.588) 4.176 9.575 ( -5.915 0.000 -0.444) 5.932 10.656 ( 8.018 0.000 7.929) 11.276 10.736 ( 0.098 0.000 5.989) 5.990 10.828 ( 6.659 0.000 -7.993) 10.403 10.929 ( 0.873 0.000 -5.959) 6.022 12.667 ( 2.827 0.000 1.639) 3.268 12.845 ( -4.903 0.000 -1.005) 5.005 13.167 ( 6.003 0.000 -1.587) 6.209 13.645 ( -23.905 0.000 5.420) 24.512 15.174 ( 2.633 0.000 2.778) 3.828 15.268 ( 0.961 0.000 -2.278) 2.473 15.385 ( 8.870 0.000 4.907) 10.137 15.755 ( -9.437 0.000 -0.168) 9.438 18.369 ( 21.801 0.000 -4.026) 22.169 18.877 ( -7.960 0.000 -4.232) 9.015 21.053 ( 0.743 0.000 1.008) 1.252 21.093 ( -1.924 0.000 1.537) 2.462 ======================= Grid point 285 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -8.369 0.000 -1.259) 8.463 1.547 ( 8.369 0.000 1.259) 8.463 1.768 ( 15.374 0.000 -6.744) 16.788 1.768 ( -15.374 0.000 6.744) 16.788 2.037 ( 1.427 0.000 -6.227) 6.388 2.037 ( -1.427 0.000 6.227) 6.388 2.106 ( 8.544 0.000 -3.719) 9.318 2.106 ( -8.544 0.000 3.719) 9.318 2.477 ( -3.282 0.000 -1.369) 3.556 2.477 ( 3.282 0.000 1.369) 3.556 2.709 ( -2.318 0.000 -10.540) 10.792 2.709 ( 2.318 0.000 10.540) 10.792 2.963 ( -0.555 0.000 -7.804) 7.824 2.963 ( 0.555 0.000 7.804) 7.824 3.316 ( -3.506 0.000 -2.761) 4.463 3.316 ( 3.506 0.000 2.761) 4.463 3.488 ( -0.265 0.000 -3.886) 3.895 3.488 ( 0.265 0.000 3.886) 3.895 3.833 ( -12.828 0.000 -0.034) 12.828 3.833 ( 12.828 0.000 0.034) 12.828 4.289 ( -6.297 0.000 -10.121) 11.920 4.289 ( 6.297 0.000 10.121) 11.920 4.831 ( -0.144 0.000 -3.048) 3.051 4.831 ( 0.144 0.000 3.048) 3.051 4.976 ( 5.025 0.000 -5.068) 7.137 4.976 ( -5.025 0.000 5.068) 7.137 5.303 ( 0.470 0.000 -4.266) 4.292 5.303 ( -0.470 0.000 4.266) 4.292 6.199 ( -6.495 0.000 -0.055) 6.495 6.199 ( 6.495 0.000 0.055) 6.495 6.500 ( 3.616 0.000 -2.919) 4.647 6.500 ( -3.616 0.000 2.919) 4.647 6.967 ( 5.028 0.000 -2.540) 5.633 6.967 ( -5.028 0.000 2.540) 5.633 7.496 ( -1.959 0.000 -4.982) 5.354 7.496 ( 1.959 0.000 4.982) 5.354 8.526 ( 0.459 0.000 -1.562) 1.628 8.526 ( -0.459 0.000 1.562) 1.628 8.708 ( 6.372 0.000 -2.777) 6.951 8.708 ( -6.372 0.000 2.777) 6.951 8.978 ( -1.970 0.000 -8.699) 8.919 8.978 ( 1.970 0.000 8.699) 8.919 9.511 ( 3.578 0.000 -2.363) 4.288 9.511 ( -3.578 0.000 2.363) 4.288 10.774 ( 4.742 0.000 -6.437) 7.995 10.774 ( -4.742 0.000 6.437) 7.995 10.860 ( -0.534 0.000 -6.008) 6.032 10.860 ( 0.534 0.000 6.008) 6.032 12.755 ( -4.126 0.000 -2.413) 4.780 12.755 ( 4.126 0.000 2.413) 4.780 13.334 ( -17.551 0.000 1.695) 17.632 13.334 ( 17.551 0.000 -1.695) 17.632 15.237 ( -1.169 0.000 -2.735) 2.974 15.237 ( 1.169 0.000 2.735) 2.974 15.585 ( -8.676 0.000 -4.344) 9.703 15.585 ( 8.676 0.000 4.344) 9.703 18.657 ( -14.766 0.000 -2.061) 14.909 18.657 ( 14.766 0.000 2.061) 14.909 21.076 ( -1.407 0.000 0.148) 1.415 21.076 ( 1.407 0.000 -0.148) 1.415 ======================= Grid point 291 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.940 2.256 -18.164) 18.328 1.264 ( 0.940 2.256 18.164) 18.328 1.482 ( 0.861 7.613 -18.205) 19.752 1.482 ( -0.861 7.613 18.205) 19.752 2.025 ( 0.662 -0.099 -1.717) 1.843 2.025 ( -0.662 -0.099 1.717) 1.843 2.398 ( -2.913 -6.135 -2.240) 7.152 2.398 ( 2.913 -6.135 2.240) 7.152 2.530 ( 3.925 1.166 -13.879) 14.470 2.530 ( -3.925 1.166 13.879) 14.470 2.772 ( 1.840 0.574 -6.717) 6.988 2.772 ( -1.840 0.574 6.717) 6.988 2.999 ( -2.930 2.668 -5.194) 6.533 2.999 ( 2.930 2.668 5.194) 6.533 3.472 ( -0.538 4.164 -3.020) 5.172 3.472 ( 0.538 4.164 3.020) 5.172 3.682 ( -8.138 -1.632 -5.043) 9.712 3.682 ( 8.138 -1.632 5.043) 9.712 3.951 ( -5.126 -4.491 -0.814) 6.863 3.951 ( 5.126 -4.491 0.814) 6.863 4.371 ( -2.859 -2.279 -5.336) 6.469 4.371 ( 2.859 -2.279 5.336) 6.469 4.637 ( -2.588 0.468 -11.222) 11.525 4.637 ( 2.588 0.468 11.222) 11.525 5.101 ( -4.193 1.317 -0.135) 4.397 5.101 ( 4.193 1.317 0.135) 4.397 5.327 ( -5.004 -0.394 -2.348) 5.542 5.327 ( 5.004 -0.394 2.348) 5.542 6.287 ( 0.731 1.918 -3.845) 4.358 6.287 ( -0.731 1.918 3.845) 4.358 6.563 ( 4.789 -1.179 -5.230) 7.189 6.563 ( -4.789 -1.179 5.230) 7.189 6.963 ( -3.731 1.934 -4.853) 6.419 6.963 ( 3.731 1.934 4.853) 6.419 7.695 ( -1.562 -2.120 -3.127) 4.088 7.695 ( 1.562 -2.120 3.127) 4.088 8.119 ( -0.514 6.212 -3.844) 7.324 8.119 ( 0.514 6.212 3.844) 7.324 9.091 ( -5.625 -1.096 -2.752) 6.358 9.091 ( 5.625 -1.096 2.752) 6.358 9.192 ( -0.833 -3.171 -4.302) 5.409 9.192 ( 0.833 -3.171 4.302) 5.409 9.668 ( -3.319 -2.842 -7.072) 8.313 9.668 ( 3.319 -2.842 7.072) 8.313 9.947 ( 3.135 6.122 -5.301) 8.684 9.947 ( -3.135 6.122 5.301) 8.684 10.662 ( -1.850 0.878 -14.326) 14.472 10.662 ( 1.850 0.878 14.326) 14.472 12.953 ( -1.589 -3.191 -7.153) 7.992 12.953 ( 1.589 -3.191 7.153) 7.992 13.639 ( -1.483 -13.752 -24.887) 28.473 13.639 ( 1.483 -13.752 24.887) 28.473 14.974 ( -4.818 8.518 -4.838) 10.917 14.974 ( 4.818 8.518 4.838) 10.917 15.632 ( -1.054 0.114 -0.850) 1.359 15.632 ( 1.054 0.114 0.850) 1.359 18.524 ( -8.076 7.573 -17.602) 20.794 18.524 ( 8.076 7.573 17.602) 20.794 21.043 ( -0.250 -1.535 -1.913) 2.466 21.043 ( 0.250 -1.535 1.913) 2.466 ======================= Grid point 293 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 9.151 6.672 -12.790) 17.083 1.298 ( 2.886 13.689 -17.566) 22.456 1.555 ( 7.185 0.450 17.565) 18.983 1.682 ( 1.969 2.611 14.932) 15.285 2.041 ( 2.111 -0.294 0.581) 2.210 2.057 ( 2.135 -0.452 0.971) 2.389 2.265 ( -1.344 -2.520 -9.305) 9.733 2.407 ( -4.173 -4.598 2.664) 6.756 2.475 ( 4.334 -3.914 -9.309) 10.989 2.567 ( -4.031 -3.674 0.457) 5.473 2.722 ( 1.960 3.427 -7.547) 8.517 2.805 ( -0.858 -4.417 2.536) 5.165 2.947 ( -0.303 5.903 -0.749) 5.958 3.109 ( -1.528 0.820 3.878) 4.248 3.341 ( -6.258 3.563 -3.308) 7.925 3.490 ( -1.480 5.726 5.563) 8.120 3.566 ( -0.645 -0.666 -1.904) 2.118 3.659 ( -7.778 -1.841 -6.174) 10.100 3.952 ( -1.386 -1.979 8.177) 8.526 3.966 ( -3.034 -6.280 -6.475) 9.517 4.236 ( -5.372 0.419 -2.863) 6.101 4.403 ( 4.626 1.814 -8.042) 9.454 4.574 ( -2.616 0.552 7.209) 7.689 4.781 ( 0.677 0.651 8.095) 8.149 5.049 ( -0.854 0.833 -0.390) 1.254 5.159 ( 3.976 -1.203 -1.208) 4.326 5.281 ( -0.199 -0.953 0.893) 1.321 5.442 ( 1.273 -3.742 4.741) 6.173 6.232 ( -3.961 -0.235 3.142) 5.062 6.367 ( 2.804 4.801 2.740) 6.198 6.527 ( -2.116 -2.518 -3.425) 4.749 6.574 ( 1.466 -0.870 -0.463) 1.766 6.837 ( -3.300 3.764 -4.338) 6.624 7.029 ( 0.123 1.887 0.257) 1.909 7.641 ( -2.090 -0.004 -0.867) 2.263 7.757 ( 0.509 -2.305 3.944) 4.596 8.087 ( 0.205 5.169 -0.971) 5.263 8.194 ( 3.198 6.082 3.752) 7.829 8.971 ( -6.639 -0.063 1.067) 6.725 9.059 ( -5.680 -5.363 -4.292) 8.913 9.138 ( -6.423 2.297 -4.860) 8.376 9.204 ( -1.531 -1.908 3.327) 4.130 9.523 ( -0.952 -5.692 -3.957) 6.997 9.738 ( 1.048 0.895 5.397) 5.571 10.086 ( 14.035 2.509 0.472) 14.265 10.166 ( 17.231 3.877 0.249) 17.663 10.473 ( 1.219 1.804 -14.817) 14.976 10.826 ( 0.401 -1.534 10.974) 11.088 12.823 ( -3.627 -3.351 -4.301) 6.548 13.064 ( 2.784 2.211 3.138) 4.742 13.319 ( -7.444 -3.370 -13.707) 15.958 13.871 ( -8.346 -16.373 24.090) 30.300 14.894 ( 0.154 4.970 -2.556) 5.591 15.132 ( 5.256 6.824 5.949) 10.468 15.600 ( -2.032 5.150 0.596) 5.569 15.726 ( 5.676 -2.658 4.040) 7.457 18.191 ( -1.929 8.156 -24.467) 25.863 18.808 ( 7.026 1.200 8.876) 11.384 21.020 ( -0.756 -1.477 -0.461) 1.722 21.070 ( -0.290 -1.342 2.617) 2.956 ======================= Grid point 294 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 7.436 15.442 -14.319) 22.334 1.240 ( 14.529 9.376 -10.268) 20.110 1.840 ( 3.972 1.172 13.019) 13.662 1.867 ( 3.405 0.294 10.814) 11.341 2.070 ( -2.650 -2.667 3.112) 4.881 2.107 ( 1.021 -0.256 1.986) 2.248 2.233 ( 10.319 -3.658 -8.742) 14.010 2.344 ( -5.071 -4.293 -0.360) 6.654 2.376 ( -8.155 -1.893 -1.881) 8.581 2.470 ( -1.622 -3.344 -5.650) 6.763 2.654 ( 2.817 1.869 -10.071) 10.624 2.821 ( -0.358 -4.807 3.110) 5.736 2.952 ( 2.253 2.229 -2.412) 3.983 3.020 ( -3.240 5.515 -4.155) 7.627 3.242 ( -7.255 -6.130 -6.097) 11.286 3.340 ( -9.408 -1.739 -0.360) 9.575 3.593 ( 2.431 4.622 6.772) 8.552 3.681 ( 0.356 1.179 -9.066) 9.149 3.772 ( -1.631 4.193 -0.706) 4.554 3.969 ( -4.886 0.244 4.469) 6.626 4.137 ( -5.222 1.540 0.632) 5.481 4.474 ( 7.170 3.949 1.702) 8.361 4.576 ( -5.758 0.228 5.046) 7.659 4.865 ( 1.132 -0.612 3.902) 4.108 5.061 ( 0.694 -1.444 1.721) 2.351 5.203 ( 0.464 -1.731 0.908) 2.009 5.299 ( 1.591 -1.037 -0.071) 1.900 5.410 ( -8.396 -7.874 0.556) 11.524 6.231 ( -2.080 -0.911 4.456) 5.002 6.364 ( -5.131 1.059 -8.354) 9.861 6.443 ( 0.708 2.799 2.352) 3.724 6.654 ( 4.582 -1.252 4.644) 6.643 6.793 ( 0.399 3.580 -0.498) 3.636 6.977 ( -3.293 4.073 -3.875) 6.515 7.603 ( -2.643 2.429 0.432) 3.616 7.782 ( -2.123 1.002 2.142) 3.178 8.112 ( 3.427 1.312 0.991) 3.801 8.307 ( 6.291 4.082 2.320) 7.850 8.864 ( -8.963 -3.682 -4.834) 10.828 8.913 ( -4.373 0.573 0.766) 4.476 9.011 ( -3.392 -2.934 -1.964) 4.896 9.158 ( -4.622 1.610 -0.725) 4.947 9.494 ( 0.930 -4.378 -1.944) 4.880 9.831 ( -2.496 -3.019 3.354) 5.157 10.202 ( 8.080 7.307 -3.966) 11.594 10.437 ( 15.350 0.607 0.752) 15.380 10.519 ( 15.910 -3.449 -5.206) 17.091 10.918 ( -0.660 -3.063 5.791) 6.585 12.762 ( -0.569 3.301 -1.517) 3.678 13.093 ( -1.833 -1.315 -3.113) 3.844 13.168 ( -1.629 12.386 4.465) 13.267 13.936 ( -13.754 -10.981 20.292) 26.861 14.917 ( 5.343 0.710 -1.599) 5.622 15.230 ( 2.532 4.792 0.477) 5.441 15.569 ( -2.706 12.778 0.837) 13.088 15.856 ( -1.335 -3.929 9.198) 10.090 17.968 ( 11.130 1.620 -25.671) 28.027 18.922 ( 0.667 -6.951 0.515) 7.002 21.012 ( -0.376 -1.165 0.754) 1.438 21.090 ( -1.095 -0.905 2.906) 3.235 ======================= Grid point 295 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 12.720 10.557 -9.824) 19.229 1.374 ( 15.320 9.820 -8.956) 20.282 1.894 ( -4.606 -1.930 0.141) 4.996 1.973 ( -9.882 -2.119 5.067) 11.306 2.065 ( 2.499 0.757 9.352) 9.709 2.103 ( -6.667 1.112 6.087) 9.096 2.282 ( -3.490 -1.649 -0.650) 3.914 2.300 ( 0.339 0.334 -1.306) 1.390 2.338 ( 4.911 -3.739 -1.854) 6.445 2.396 ( -0.872 -4.860 0.111) 4.939 2.620 ( 8.044 -1.287 -11.467) 14.066 2.768 ( -4.089 2.509 -6.115) 7.772 2.937 ( -1.315 -2.960 -0.787) 3.333 3.020 ( 5.759 4.514 -3.726) 8.211 3.097 ( 0.778 -0.710 -0.106) 1.058 3.296 ( 1.341 -8.302 -1.797) 8.599 3.476 ( -1.633 -0.221 -8.801) 8.954 3.700 ( -1.401 3.811 4.940) 6.394 3.759 ( -6.100 2.930 1.693) 6.976 3.968 ( 1.616 8.694 0.222) 8.846 4.093 ( -4.620 2.278 4.682) 6.961 4.527 ( -4.951 -1.702 2.910) 5.990 4.634 ( 7.397 2.543 3.746) 8.673 4.890 ( -1.705 -2.353 0.951) 3.058 5.052 ( -6.724 -6.630 2.933) 9.888 5.163 ( -6.825 0.563 0.755) 6.890 5.279 ( -3.639 -4.044 -0.926) 5.519 5.334 ( 2.908 -0.974 -1.208) 3.297 6.180 ( -2.404 -0.189 -7.293) 7.681 6.270 ( -1.129 0.883 3.441) 3.727 6.497 ( 0.591 3.855 3.959) 5.557 6.766 ( 0.879 0.583 -1.846) 2.126 6.781 ( -2.268 1.628 4.185) 5.031 6.909 ( 1.961 4.460 -0.987) 4.971 7.558 ( -3.446 4.426 0.406) 5.624 7.738 ( -2.730 2.821 -2.783) 4.812 8.225 ( 7.574 -3.925 2.510) 8.892 8.425 ( 6.779 1.998 -1.006) 7.138 8.693 ( -6.456 -3.137 -0.758) 7.217 8.877 ( -3.274 1.647 2.667) 4.533 8.907 ( -8.402 -3.956 0.059) 9.287 9.105 ( 1.153 -1.118 -3.947) 4.261 9.489 ( 1.044 -2.465 -2.184) 3.454 9.708 ( -8.298 -1.143 -3.296) 9.002 10.394 ( 12.040 0.751 3.962) 12.697 10.655 ( 8.885 2.686 2.810) 9.698 10.688 ( 10.513 -5.870 -4.466) 12.842 10.946 ( 0.800 -2.477 -0.330) 2.623 12.742 ( 0.710 7.624 -1.990) 7.912 12.994 ( -4.705 1.948 -2.879) 5.850 13.274 ( 2.118 17.133 8.506) 19.245 13.901 ( -15.781 -0.500 15.230) 21.937 15.016 ( 8.276 -0.503 -1.060) 8.359 15.277 ( 5.638 4.233 -1.102) 7.136 15.528 ( -5.027 16.493 2.200) 17.382 15.846 ( -9.122 -3.515 4.928) 10.948 17.994 ( 20.547 -8.567 -15.931) 27.375 18.865 ( -4.236 -12.900 -4.229) 14.221 21.025 ( 0.403 -0.645 1.340) 1.541 21.099 ( -1.626 -0.332 2.542) 3.036 ======================= Grid point 296 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 15.361 4.113 -5.007) 16.671 1.545 ( 14.655 8.905 -3.541) 17.510 1.771 ( -7.028 -2.835 -1.633) 7.753 1.930 ( -5.611 2.000 7.645) 9.691 2.059 ( -5.833 1.703 5.031) 7.889 2.118 ( -0.907 0.560 -2.877) 3.069 2.180 ( -7.909 3.046 -2.049) 8.720 2.262 ( -7.488 0.706 1.572) 7.683 2.329 ( 0.950 -4.243 1.128) 4.492 2.416 ( -0.312 -9.189 -1.327) 9.289 2.603 ( 0.346 0.835 1.296) 1.579 2.728 ( 7.026 -0.632 -5.682) 9.059 2.907 ( -2.165 -3.068 -0.595) 3.802 3.012 ( 0.029 -2.187 -6.889) 7.228 3.203 ( 9.520 0.787 -0.125) 9.553 3.358 ( 9.182 -0.644 -2.783) 9.616 3.476 ( 2.973 -0.222 1.513) 3.343 3.588 ( -1.547 0.259 -2.816) 3.224 3.745 ( -6.443 7.624 1.981) 10.177 3.965 ( -5.779 1.181 -0.895) 5.966 4.119 ( 3.091 3.291 9.269) 10.310 4.469 ( -3.203 -0.242 -2.480) 4.058 4.772 ( 4.237 0.802 2.296) 4.885 4.826 ( -3.603 -6.160 -1.941) 7.396 4.978 ( -6.413 -3.784 4.638) 8.773 5.015 ( -8.335 -1.237 -2.484) 8.784 5.280 ( 0.448 0.410 2.455) 2.529 5.345 ( 1.123 -0.278 -2.671) 2.911 6.132 ( 3.719 1.290 -2.578) 4.706 6.278 ( -2.317 0.981 1.261) 2.814 6.538 ( 1.113 4.541 0.728) 4.732 6.644 ( -8.437 6.092 1.490) 10.513 6.873 ( 7.022 -0.171 -0.991) 7.094 6.961 ( -0.138 0.146 3.843) 3.848 7.516 ( -2.180 4.698 1.070) 5.289 7.636 ( -3.133 2.509 -6.148) 7.342 8.379 ( 8.269 -5.752 0.882) 10.111 8.496 ( 4.339 -0.047 -2.113) 4.826 8.649 ( -0.999 -2.267 1.949) 3.152 8.769 ( -10.721 -4.093 4.187) 12.216 8.883 ( -0.182 1.048 3.846) 3.990 9.064 ( 0.743 -1.924 -7.237) 7.525 9.480 ( 1.564 -2.145 -2.632) 3.739 9.564 ( -5.941 -1.314 -1.102) 6.184 10.594 ( 6.355 -4.916 3.848) 8.909 10.728 ( 0.562 -4.940 -1.275) 5.133 10.815 ( 5.983 3.193 2.684) 7.294 10.946 ( 2.819 0.658 -4.914) 5.703 12.757 ( 3.070 7.572 -0.472) 8.184 12.894 ( -4.036 3.467 -1.999) 5.684 13.395 ( 6.190 22.686 2.317) 23.629 13.764 ( -17.661 12.955 8.452) 23.477 15.144 ( 8.286 0.099 0.011) 8.286 15.373 ( 3.593 3.590 -2.643) 5.726 15.470 ( -2.709 11.506 5.090) 12.870 15.727 ( -8.235 -2.690 0.333) 8.669 18.215 ( 19.867 -15.184 -4.829) 25.467 18.709 ( -8.977 -16.315 -4.462) 19.149 21.051 ( 1.128 -0.102 0.955) 1.482 21.095 ( -1.773 0.121 1.560) 2.365 ======================= Grid point 297 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -13.216 0.797 1.822) 13.365 1.556 ( 13.216 0.797 -1.822) 13.365 1.823 ( -10.175 4.847 0.905) 11.307 1.823 ( 10.175 4.847 -0.905) 11.307 2.056 ( 1.126 1.619 -5.427) 5.774 2.056 ( -1.126 1.619 5.427) 5.774 2.136 ( -4.480 2.982 0.388) 5.395 2.136 ( 4.480 2.982 -0.388) 5.395 2.376 ( -1.379 -8.392 -1.753) 8.683 2.376 ( 1.379 -8.392 1.753) 8.683 2.701 ( 0.072 -0.331 -11.036) 11.041 2.701 ( -0.072 -0.331 11.036) 11.041 2.916 ( -0.441 -4.064 -6.918) 8.035 2.916 ( 0.441 -4.064 6.918) 8.035 3.347 ( -4.914 2.650 -1.995) 5.929 3.347 ( 4.914 2.650 1.995) 5.929 3.571 ( -7.551 5.042 -0.992) 9.134 3.571 ( 7.551 5.042 0.992) 9.134 3.774 ( -13.127 -4.215 -1.433) 13.861 3.774 ( 13.127 -4.215 1.433) 13.861 4.332 ( -6.098 4.023 -9.300) 11.827 4.332 ( 6.098 4.023 9.300) 11.827 4.796 ( 0.935 -4.048 -2.274) 4.736 4.796 ( -0.935 -4.048 2.274) 4.736 4.938 ( 4.737 -1.925 -4.850) 7.047 4.938 ( -4.737 -1.925 4.850) 7.047 5.318 ( 0.056 0.558 -3.338) 3.385 5.318 ( -0.056 0.558 3.338) 3.385 6.210 ( -5.120 1.420 -0.985) 5.404 6.210 ( 5.120 1.420 0.985) 5.404 6.565 ( 2.849 6.031 -1.737) 6.892 6.565 ( -2.849 6.031 1.737) 6.892 6.958 ( 1.529 -0.740 -1.557) 2.304 6.958 ( -1.529 -0.740 1.557) 2.304 7.534 ( -0.790 3.486 -4.458) 5.714 7.534 ( 0.790 3.486 4.458) 5.714 8.491 ( -2.536 -3.406 -1.693) 4.572 8.491 ( 2.536 -3.406 1.693) 4.572 8.677 ( 5.684 -3.035 -3.438) 7.304 8.677 ( -5.684 -3.035 3.438) 7.304 8.966 ( -1.349 -0.812 -7.947) 8.101 8.966 ( 1.349 -0.812 7.947) 8.101 9.493 ( 2.273 -1.896 -1.564) 3.348 9.493 ( -2.273 -1.896 1.564) 3.348 10.691 ( 1.860 -6.328 -5.977) 8.901 10.691 ( -1.860 -6.328 5.977) 8.901 10.913 ( 0.046 3.453 -5.650) 6.622 10.913 ( -0.046 3.453 5.650) 6.622 12.818 ( -1.621 5.081 -2.584) 5.927 12.818 ( 1.621 5.081 2.584) 5.927 13.557 ( -11.898 22.486 1.478) 25.483 13.557 ( 11.898 22.486 -1.478) 25.483 15.279 ( -7.056 3.673 -1.812) 8.158 15.279 ( 7.056 3.673 1.812) 8.158 15.592 ( -5.030 0.987 -4.220) 6.639 15.592 ( 5.030 0.987 4.220) 6.639 18.482 ( -14.658 -17.307 -1.691) 22.743 18.482 ( 14.658 -17.307 1.691) 22.743 21.078 ( -1.553 0.211 0.190) 1.579 21.078 ( 1.553 0.211 -0.190) 1.579 ======================= Grid point 303 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -0.335 4.148 -11.769) 12.483 1.329 ( 0.335 4.148 11.769) 12.483 1.636 ( 3.820 6.369 -13.264) 15.202 1.636 ( -3.820 6.369 13.264) 15.202 2.003 ( 2.753 -2.615 -3.505) 5.167 2.003 ( -2.753 -2.615 3.505) 5.167 2.233 ( -1.769 -9.273 -1.051) 9.499 2.233 ( 1.769 -9.273 1.051) 9.499 2.493 ( -1.867 -3.243 -4.084) 5.539 2.493 ( 1.867 -3.243 4.084) 5.539 2.765 ( -4.483 -3.071 -3.700) 6.574 2.765 ( 4.483 -3.071 3.700) 6.574 3.174 ( 1.406 14.721 -8.631) 17.122 3.174 ( -1.406 14.721 8.631) 17.122 3.597 ( 0.162 7.419 -2.089) 7.709 3.597 ( -0.162 7.419 2.089) 7.709 3.661 ( -6.547 0.442 -3.790) 7.577 3.661 ( 6.547 0.442 3.790) 7.577 3.865 ( 3.241 -2.704 -3.505) 5.487 3.865 ( -3.241 -2.704 3.505) 5.487 4.329 ( -5.589 -2.599 -1.659) 6.383 4.329 ( 5.589 -2.599 1.659) 6.383 4.639 ( -2.177 -0.171 -7.065) 7.394 4.639 ( 2.177 -0.171 7.065) 7.394 5.110 ( -0.682 -1.180 -1.969) 2.394 5.110 ( 0.682 -1.180 1.969) 2.394 5.299 ( -3.069 -2.061 -4.039) 5.475 5.299 ( 3.069 -2.061 4.039) 5.475 6.312 ( -2.595 0.425 -3.701) 4.540 6.312 ( 2.595 0.425 3.701) 4.540 6.538 ( 3.021 -1.469 -4.170) 5.354 6.538 ( -3.021 -1.469 4.170) 5.354 7.009 ( -3.141 2.421 -3.154) 5.067 7.009 ( 3.141 2.421 3.154) 5.067 7.687 ( 0.687 1.629 -3.387) 3.821 7.687 ( -0.687 1.629 3.387) 3.821 8.251 ( -0.047 6.584 -5.279) 8.439 8.251 ( 0.047 6.584 5.279) 8.439 9.029 ( -0.175 -5.408 -8.732) 10.273 9.029 ( 0.175 -5.408 8.732) 10.273 9.139 ( -5.087 -1.768 -1.108) 5.498 9.139 ( 5.087 -1.768 1.108) 5.498 9.612 ( -4.577 -2.563 -6.810) 8.596 9.612 ( 4.577 -2.563 6.810) 8.596 10.054 ( 2.081 4.503 -6.330) 8.042 10.054 ( -2.081 4.503 6.330) 8.042 10.708 ( -1.343 3.450 -9.071) 9.798 10.708 ( 1.343 3.450 9.071) 9.798 12.887 ( -4.387 -3.180 -6.999) 8.851 12.887 ( 4.387 -3.180 6.999) 8.851 13.383 ( -0.016 -10.371 -13.357) 16.911 13.383 ( 0.016 -10.371 13.357) 16.911 15.114 ( -3.239 4.730 -6.154) 8.410 15.114 ( 3.239 4.730 6.154) 8.410 15.614 ( 2.580 -1.728 -2.413) 3.932 15.614 ( -2.580 -1.728 2.413) 3.932 18.715 ( -4.410 10.613 -13.316) 17.590 18.715 ( 4.410 10.613 13.316) 17.590 21.001 ( -0.228 -2.547 -1.698) 3.069 21.001 ( 0.228 -2.547 1.698) 3.069 ======================= Grid point 305 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 10.246 8.897 -5.044) 14.477 1.518 ( 6.915 4.922 -4.460) 9.588 1.609 ( 6.273 7.084 6.532) 11.498 1.737 ( -1.817 2.153 12.274) 12.594 2.003 ( -1.025 -3.019 2.491) 4.046 2.040 ( 4.073 -2.164 -1.539) 4.862 2.174 ( -5.437 -5.745 1.673) 8.085 2.262 ( -2.584 -9.658 5.506) 11.413 2.391 ( -1.736 -3.478 -6.261) 7.369 2.503 ( -0.642 -2.044 -5.181) 5.606 2.672 ( -1.718 -7.067 -1.109) 7.357 2.816 ( 1.745 0.368 -5.359) 5.648 3.101 ( -0.919 4.637 -6.307) 7.882 3.149 ( -6.571 12.291 -0.551) 13.948 3.462 ( -7.171 6.956 -3.988) 10.757 3.552 ( -5.223 1.511 -6.703) 8.630 3.613 ( -0.903 6.146 3.251) 7.011 3.745 ( 3.363 7.206 4.214) 8.999 3.844 ( -0.786 -3.181 -4.193) 5.321 3.931 ( 0.386 -0.004 7.117) 7.127 4.229 ( -4.019 -0.902 -1.742) 4.472 4.433 ( 6.353 -1.276 -0.665) 6.514 4.571 ( -1.165 1.016 0.957) 1.818 4.766 ( 3.413 -2.537 4.347) 6.081 5.070 ( -1.638 -0.344 -0.856) 1.880 5.119 ( -1.444 -1.520 0.054) 2.097 5.241 ( 0.149 -3.306 0.370) 3.330 5.356 ( -2.801 -4.653 2.994) 6.201 6.229 ( -3.851 -0.146 1.012) 3.984 6.416 ( 2.919 -1.036 1.400) 3.399 6.512 ( 0.072 1.438 -3.174) 3.486 6.549 ( 1.865 -1.412 0.532) 2.399 6.926 ( -2.339 5.051 -2.436) 6.075 7.079 ( 1.995 2.593 0.890) 3.390 7.661 ( -0.548 1.766 -1.289) 2.254 7.723 ( -0.312 0.032 4.023) 4.036 8.206 ( -0.314 5.927 -1.572) 6.140 8.321 ( 1.116 6.168 4.632) 7.794 8.905 ( -3.264 -7.529 -8.356) 11.712 8.986 ( -9.084 -1.028 3.084) 9.648 9.109 ( -5.565 -4.526 3.098) 7.813 9.226 ( 3.605 3.135 0.490) 4.802 9.422 ( -4.937 -3.849 -5.811) 8.541 9.709 ( 0.146 -3.270 4.408) 5.490 10.121 ( 12.494 1.578 -1.980) 12.748 10.237 ( 14.873 2.527 -0.118) 15.086 10.567 ( -2.128 6.736 -9.153) 11.562 10.803 ( -1.130 -0.454 7.350) 7.451 12.794 ( -0.115 0.197 0.279) 0.360 13.117 ( 13.208 2.617 2.425) 13.681 13.189 ( -7.515 -7.911 -1.743) 11.050 13.585 ( 3.346 -11.095 11.487) 16.317 15.010 ( -1.842 5.267 -3.964) 6.844 15.237 ( 2.953 3.366 6.366) 7.783 15.631 ( -0.646 -1.847 4.459) 4.869 15.683 ( 7.651 -1.439 -0.714) 7.818 18.414 ( -8.677 13.211 -18.940) 24.668 18.848 ( -1.148 2.524 3.943) 4.820 20.982 ( -0.526 -2.077 -0.012) 2.143 21.031 ( 0.430 -2.429 2.268) 3.351 ======================= Grid point 306 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 11.310 12.180 -7.540) 18.252 1.486 ( 6.508 12.841 -9.567) 17.285 1.838 ( -0.206 -1.521 8.108) 8.252 1.866 ( 4.909 -1.555 11.781) 12.857 2.022 ( -2.025 -0.045 5.927) 6.264 2.059 ( 0.358 -4.156 -2.340) 4.783 2.148 ( 0.432 -2.919 1.754) 3.433 2.271 ( -4.600 -5.417 6.674) 9.749 2.312 ( -2.984 -3.818 -2.365) 5.392 2.414 ( 0.768 -1.980 -7.166) 7.474 2.681 ( 1.512 -6.961 3.139) 7.784 2.719 ( -1.563 -1.427 -8.227) 8.495 2.980 ( 0.215 3.067 -10.389) 10.834 3.086 ( -1.859 5.407 0.181) 5.721 3.294 ( -6.604 7.030 -6.782) 11.791 3.352 ( -8.270 3.675 -5.688) 10.689 3.635 ( -4.789 -2.314 -9.689) 11.053 3.679 ( 1.646 5.743 5.069) 7.835 3.941 ( -3.170 7.128 2.837) 8.301 3.981 ( 2.735 1.090 8.516) 9.011 4.173 ( -1.466 2.753 0.130) 3.122 4.522 ( 2.305 -3.050 1.816) 4.232 4.582 ( 0.879 3.745 1.989) 4.331 4.819 ( 0.181 -4.663 0.369) 4.681 5.016 ( -4.653 -3.010 -0.895) 5.614 5.135 ( 1.386 -3.732 2.847) 4.894 5.259 ( -0.729 -2.504 0.430) 2.643 5.293 ( -4.729 -4.315 1.131) 6.501 6.208 ( -1.634 -1.168 2.061) 2.878 6.360 ( -2.573 -0.667 -6.591) 7.107 6.527 ( 0.154 3.883 3.416) 5.174 6.640 ( 6.995 -0.191 1.440) 7.144 6.887 ( -1.162 6.109 -0.145) 6.220 7.083 ( -0.399 5.685 -2.312) 6.151 7.639 ( -0.985 1.125 -0.524) 1.585 7.766 ( -0.555 -1.648 4.717) 5.027 8.197 ( -1.068 5.751 0.864) 5.912 8.390 ( 3.199 4.213 1.595) 5.525 8.729 ( -5.911 -8.555 -7.324) 12.719 8.933 ( -3.561 0.938 3.791) 5.285 8.971 ( -9.859 -2.493 -0.492) 10.181 9.186 ( -5.037 1.865 -4.272) 6.863 9.399 ( 2.915 -4.640 0.454) 5.498 9.742 ( -1.856 -5.793 1.062) 6.175 10.300 ( 10.552 1.113 -4.167) 11.399 10.444 ( 11.274 2.136 -2.085) 11.662 10.538 ( 9.931 4.099 -1.411) 10.836 10.843 ( -2.082 -3.755 5.001) 6.591 12.855 ( 3.363 4.793 2.288) 6.287 13.060 ( -3.387 -1.965 -1.993) 4.394 13.404 ( 13.768 10.686 6.427) 18.575 13.762 ( 0.775 -4.610 15.358) 16.054 14.986 ( 2.955 4.791 -1.408) 5.802 15.342 ( 3.109 4.682 3.117) 6.427 15.665 ( -3.433 -2.753 6.647) 7.971 15.821 ( 7.688 0.974 1.271) 7.853 18.052 ( -5.790 7.029 -22.289) 24.078 18.769 ( -8.124 -7.936 -3.685) 11.940 20.987 ( 0.333 -1.169 1.039) 1.599 21.063 ( -0.116 -1.818 2.724) 3.277 ======================= Grid point 307 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 6.892 12.198 -10.837) 17.713 1.595 ( 11.696 10.837 -6.455) 17.202 1.845 ( -6.757 -2.443 1.772) 7.400 1.937 ( -3.088 -1.096 2.531) 4.140 2.054 ( -2.617 -4.996 5.939) 8.191 2.099 ( 0.781 -0.029 5.739) 5.792 2.182 ( -0.257 -5.570 1.687) 5.825 2.245 ( -0.293 -1.223 -1.235) 1.763 2.312 ( -1.635 -0.583 6.232) 6.469 2.388 ( 1.094 0.742 -1.216) 1.796 2.621 ( 0.436 -1.669 -6.007) 6.249 2.752 ( -1.579 -5.687 3.850) 7.047 2.887 ( 3.363 2.424 -11.098) 11.847 3.097 ( 1.094 1.823 0.255) 2.142 3.109 ( -0.175 1.906 -11.206) 11.368 3.203 ( -1.750 -0.966 -4.652) 5.063 3.519 ( -0.353 5.547 0.100) 5.559 3.734 ( -4.081 2.183 3.011) 5.522 3.864 ( -3.601 5.768 -0.667) 6.832 4.058 ( -4.329 -1.682 4.966) 6.799 4.180 ( -0.769 6.090 3.234) 6.938 4.503 ( -3.039 -0.370 0.304) 3.076 4.682 ( 6.369 1.759 1.306) 6.735 4.776 ( -4.212 -7.895 -2.848) 9.391 4.930 ( -4.276 -3.987 2.173) 6.237 5.168 ( -7.067 -0.240 -0.091) 7.072 5.203 ( 2.094 -4.180 1.797) 5.008 5.305 ( 1.350 -1.791 0.651) 2.336 6.181 ( -1.233 0.666 -2.312) 2.704 6.306 ( 1.444 2.550 -0.521) 2.977 6.573 ( -0.391 3.044 5.062) 5.919 6.763 ( 7.030 -0.181 -1.150) 7.125 6.868 ( -3.975 6.444 3.759) 8.454 7.030 ( -0.087 6.992 -4.959) 8.572 7.615 ( -1.083 1.462 -0.705) 1.951 7.791 ( -3.159 0.872 3.103) 4.513 8.191 ( 1.065 1.426 -0.365) 1.817 8.453 ( 4.437 0.817 -2.045) 4.953 8.600 ( -2.911 -5.884 -1.390) 6.710 8.807 ( -10.896 -5.633 0.999) 12.307 8.926 ( -2.669 2.828 2.623) 4.690 9.078 ( -0.740 -1.289 -4.908) 5.128 9.428 ( 0.524 -3.450 -0.658) 3.551 9.650 ( -6.793 -4.800 -2.969) 8.832 10.392 ( 8.154 -0.922 -3.158) 8.793 10.595 ( 6.347 -3.122 -1.050) 7.151 10.723 ( 9.549 3.494 3.376) 10.714 10.880 ( 2.632 -3.211 2.047) 4.629 12.898 ( 2.136 6.523 -2.068) 7.169 13.007 ( -1.583 0.081 -1.814) 2.409 13.708 ( 9.245 23.672 13.425) 28.741 13.977 ( 4.638 9.021 14.624) 17.798 15.060 ( 7.249 3.334 -1.521) 8.122 15.405 ( 4.376 7.739 -2.080) 9.131 15.670 ( -6.104 -4.561 8.197) 11.192 15.892 ( -2.113 9.898 0.702) 10.145 17.792 ( 3.898 -9.852 -18.111) 20.982 18.541 ( -11.816 -18.595 -6.608) 23.002 21.014 ( 1.260 -0.246 1.403) 1.901 21.087 ( -0.671 -0.960 2.493) 2.755 ======================= Grid point 308 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 9.103 6.990 -6.860) 13.371 1.732 ( -7.138 2.613 1.591) 7.766 1.734 ( 12.109 5.621 -5.343) 14.379 1.938 ( -1.400 -1.720 5.134) 5.592 2.051 ( -3.523 -2.850 3.190) 5.541 2.146 ( -2.217 -0.473 -2.878) 3.663 2.170 ( 2.515 -3.340 3.667) 5.561 2.234 ( -1.628 -2.234 -1.547) 3.168 2.292 ( -6.131 4.463 0.831) 7.628 2.369 ( -5.652 2.531 1.637) 6.405 2.607 ( -0.138 -1.390 2.095) 2.518 2.729 ( -0.376 0.706 2.066) 2.215 2.811 ( -0.497 -4.872 -6.218) 7.915 2.978 ( -0.978 -1.302 -10.856) 10.978 3.204 ( 10.098 -0.438 -0.652) 10.128 3.248 ( 13.361 -8.304 -3.200) 16.054 3.569 ( -6.352 5.480 5.257) 9.901 3.652 ( 1.224 6.611 1.062) 6.807 3.769 ( -10.659 -5.130 -1.987) 11.994 3.979 ( -9.179 1.653 0.763) 9.358 4.255 ( 4.860 7.607 7.633) 11.821 4.482 ( 1.859 2.179 -2.664) 3.911 4.664 ( -2.248 -5.929 -2.265) 6.733 4.790 ( 3.141 -0.405 0.225) 3.175 4.918 ( -3.111 -3.213 4.081) 6.054 5.005 ( -8.420 0.055 -4.675) 9.631 5.262 ( 1.500 -2.687 2.486) 3.956 5.320 ( 0.060 -1.717 -0.236) 1.734 6.183 ( 3.369 3.909 0.348) 5.172 6.324 ( 0.120 3.821 -0.935) 3.936 6.627 ( 0.737 3.036 4.157) 5.200 6.774 ( -5.011 4.765 0.680) 6.948 6.892 ( 3.926 3.366 0.748) 5.225 6.993 ( 0.702 3.594 -3.047) 4.764 7.595 ( -0.187 2.982 -0.423) 3.018 7.717 ( -6.163 4.870 -1.313) 7.964 8.258 ( 7.145 -5.769 0.403) 9.192 8.482 ( 1.825 -1.011 -2.536) 3.284 8.584 ( -0.183 -4.161 0.509) 4.196 8.653 ( -9.896 -7.258 3.198) 12.682 8.921 ( -1.516 2.734 3.407) 4.624 9.027 ( 0.728 -1.401 -5.892) 6.100 9.417 ( 0.527 -4.056 -1.506) 4.359 9.512 ( -5.638 -3.955 -2.168) 7.220 10.484 ( 5.517 -5.428 -0.591) 7.763 10.607 ( -1.418 -6.292 -1.256) 6.571 10.894 ( 5.797 3.723 3.705) 7.823 10.956 ( 4.246 0.706 -0.391) 4.322 12.903 ( 1.528 6.206 -1.501) 6.565 12.960 ( -1.367 3.051 -2.013) 3.902 13.981 ( 8.399 32.790 9.634) 35.193 14.183 ( 0.111 28.404 11.092) 30.493 15.169 ( 9.623 1.171 -1.938) 9.886 15.447 ( 5.170 4.930 -5.207) 8.840 15.657 ( -4.052 -3.453 3.649) 6.454 15.763 ( -12.749 16.217 1.200) 20.663 17.792 ( 13.340 -26.229 -7.760) 30.433 18.266 ( -14.062 -27.162 -4.806) 30.961 21.053 ( 1.701 0.290 0.881) 1.938 21.095 ( -1.189 -0.168 1.591) 1.993 ======================= Grid point 309 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -2.960 1.780 -3.022) 4.589 1.581 ( 2.960 1.780 3.022) 4.589 1.915 ( -11.863 3.151 3.506) 12.765 1.915 ( 11.863 3.151 -3.506) 12.765 2.065 ( -2.760 -2.016 -3.805) 5.115 2.065 ( 2.760 -2.016 3.805) 5.115 2.205 ( -1.556 2.484 -0.415) 2.960 2.205 ( 1.556 2.484 0.415) 2.960 2.267 ( -6.366 1.276 -0.033) 6.493 2.267 ( 6.366 1.276 0.033) 6.493 2.683 ( 0.425 -1.942 -10.685) 10.868 2.683 ( -0.425 -1.942 10.685) 10.868 2.838 ( -1.157 -2.760 -8.747) 9.245 2.838 ( 1.157 -2.760 8.747) 9.245 3.384 ( -10.131 -0.905 0.451) 10.181 3.384 ( 10.131 -0.905 -0.451) 10.181 3.518 ( -10.740 -8.278 -2.926) 13.872 3.518 ( 10.740 -8.278 2.926) 13.872 3.805 ( -8.880 6.561 -3.895) 11.708 3.805 ( 8.880 6.561 3.895) 11.708 4.434 ( -1.673 5.857 -8.495) 10.454 4.434 ( 1.673 5.857 8.495) 10.454 4.711 ( -8.592 -2.980 -1.860) 9.282 4.711 ( 8.592 -2.980 1.860) 9.282 4.912 ( 3.450 -1.553 -5.542) 6.710 4.912 ( -3.450 -1.553 5.542) 6.710 5.303 ( -0.318 -1.971 -1.894) 2.752 5.303 ( 0.318 -1.971 1.894) 2.752 6.269 ( -2.348 4.652 -3.604) 6.336 6.269 ( 2.348 4.652 3.604) 6.336 6.694 ( -0.321 5.010 -3.522) 6.133 6.694 ( 0.321 5.010 3.522) 6.133 6.958 ( 0.387 1.845 -3.027) 3.566 6.958 ( -0.387 1.845 3.027) 3.566 7.619 ( -0.061 4.689 -3.506) 5.855 7.619 ( 0.061 4.689 3.506) 5.855 8.399 ( -6.903 -5.685 -2.113) 9.189 8.399 ( 6.903 -5.685 2.113) 9.189 8.596 ( 3.678 -4.726 -4.351) 7.403 8.596 ( -3.678 -4.726 4.351) 7.403 8.962 ( 0.152 0.653 -5.853) 5.891 8.962 ( -0.152 0.653 5.853) 5.891 9.433 ( -2.868 -4.181 0.193) 5.074 9.433 ( 2.868 -4.181 -0.193) 5.074 10.555 ( -0.445 -6.815 -2.893) 7.417 10.555 ( 0.445 -6.815 2.893) 7.417 10.977 ( 0.457 2.913 -2.795) 4.063 10.977 ( -0.457 2.913 2.795) 4.063 12.921 ( 0.608 5.012 -2.508) 5.638 12.921 ( -0.608 5.012 2.508) 5.638 14.178 ( -7.832 37.193 0.154) 38.009 14.178 ( 7.832 37.193 -0.154) 38.009 15.352 ( -8.321 3.107 -6.126) 10.790 15.352 ( 8.321 3.107 6.126) 10.790 15.646 ( 9.164 5.077 -9.997) 14.481 15.646 ( -9.164 5.077 9.997) 14.481 17.994 ( -15.462 -30.861 -0.309) 34.519 17.994 ( 15.462 -30.861 0.309) 34.519 21.083 ( -1.384 0.300 0.194) 1.429 21.083 ( 1.384 0.300 -0.194) 1.429 ======================= Grid point 315 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.043 0.439 -8.724) 8.735 1.392 ( -0.043 0.439 8.724) 8.735 1.707 ( 5.480 2.473 -10.395) 12.009 1.707 ( -5.480 2.473 10.395) 12.009 1.957 ( 2.661 -0.614 -3.049) 4.093 1.957 ( -2.661 -0.614 3.049) 4.093 2.079 ( -1.446 -6.354 -0.197) 6.519 2.079 ( 1.446 -6.354 0.197) 6.519 2.439 ( -2.476 -2.075 -3.069) 4.456 2.439 ( 2.476 -2.075 3.069) 4.456 2.673 ( -2.219 -4.559 -5.589) 7.546 2.673 ( 2.219 -4.559 5.589) 7.546 3.476 ( -0.985 12.309 -3.522) 12.841 3.476 ( 0.985 12.309 3.522) 12.841 3.657 ( -1.334 0.724 -8.126) 8.266 3.657 ( 1.334 0.724 8.126) 8.266 3.778 ( -4.220 7.533 -7.130) 11.197 3.778 ( 4.220 7.533 7.130) 11.197 3.878 ( 0.677 4.661 -4.899) 6.796 3.878 ( -0.677 4.661 4.899) 6.796 4.263 ( -3.272 -3.865 -2.301) 5.562 4.263 ( 3.272 -3.865 2.301) 5.562 4.621 ( 0.657 -1.806 -4.801) 5.172 4.621 ( -0.657 -1.806 4.801) 5.172 5.036 ( -1.468 -5.526 -3.343) 6.623 5.036 ( 1.468 -5.526 3.343) 6.623 5.271 ( -1.785 -0.482 -2.813) 3.366 5.271 ( 1.785 -0.482 2.813) 3.366 6.317 ( -3.359 0.463 -2.155) 4.018 6.317 ( 3.359 0.463 2.155) 4.018 6.498 ( 0.791 -2.399 -2.335) 3.440 6.498 ( -0.791 -2.399 2.335) 3.440 7.052 ( -1.304 1.701 -2.141) 3.029 7.052 ( 1.304 1.701 2.141) 3.029 7.745 ( 0.980 3.369 -3.354) 4.854 7.745 ( -0.980 3.369 3.354) 4.854 8.372 ( 0.069 5.334 -5.317) 7.531 8.372 ( -0.069 5.334 5.317) 7.531 8.893 ( 0.811 -7.254 -8.744) 11.390 8.893 ( -0.811 -7.254 8.744) 11.390 9.120 ( -5.708 -0.268 0.412) 5.730 9.120 ( 5.708 -0.268 -0.412) 5.730 9.567 ( -3.033 -1.872 -4.101) 5.434 9.567 ( 3.033 -1.872 4.101) 5.434 10.133 ( 0.805 3.305 -4.134) 5.354 10.133 ( -0.805 3.305 4.134) 5.354 10.773 ( -0.621 2.556 -4.136) 4.901 10.773 ( 0.621 2.556 4.136) 4.901 12.825 ( -2.806 -2.970 -5.741) 7.047 12.825 ( 2.806 -2.970 5.741) 7.047 13.252 ( -2.611 -3.054 -3.110) 5.080 13.252 ( 2.611 -3.054 3.110) 5.080 15.158 ( -1.498 0.133 -5.067) 5.286 15.158 ( 1.498 0.133 5.067) 5.286 15.584 ( 1.215 -0.893 -1.041) 1.833 15.584 ( -1.215 -0.893 1.041) 1.833 18.904 ( -1.725 7.460 -6.849) 10.273 18.904 ( 1.725 7.460 6.849) 10.273 20.951 ( -0.164 -2.138 -1.056) 2.390 20.951 ( 0.164 -2.138 1.056) 2.390 ======================= Grid point 317 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 8.950 2.269 2.063) 9.461 1.607 ( 7.085 2.142 13.954) 15.796 1.689 ( 4.066 1.057 -3.666) 5.575 1.764 ( -0.129 2.230 6.432) 6.809 1.957 ( 0.174 -0.390 0.395) 0.581 1.981 ( 5.007 -2.467 -4.409) 7.113 2.053 ( -4.530 -5.230 3.884) 7.935 2.121 ( 0.055 -5.340 5.456) 7.635 2.356 ( -3.871 0.422 -3.115) 4.987 2.484 ( -0.806 -0.021 -2.704) 2.822 2.539 ( -2.175 -5.775 -3.715) 7.203 2.677 ( -4.365 -9.569 -1.777) 10.667 3.348 ( -4.487 13.796 -6.051) 15.719 3.395 ( -6.199 10.915 -9.085) 15.496 3.538 ( -2.260 2.600 -6.586) 7.432 3.648 ( -5.269 5.761 -5.558) 9.584 3.694 ( -2.870 -0.239 3.055) 4.199 3.818 ( -2.414 5.847 -2.253) 6.715 3.900 ( 0.396 3.451 5.513) 6.516 3.990 ( 4.943 4.500 5.419) 8.605 4.216 ( -0.289 0.145 0.109) 0.341 4.350 ( 2.874 -5.491 3.596) 7.166 4.608 ( 3.571 1.282 -2.954) 4.808 4.691 ( 3.393 -4.116 1.324) 5.496 4.993 ( -1.889 -4.158 0.023) 4.567 5.118 ( 2.053 -5.130 5.400) 7.726 5.170 ( -5.614 0.803 -2.517) 6.205 5.276 ( -4.394 -3.185 1.897) 5.749 6.237 ( -3.530 1.356 -0.340) 3.797 6.365 ( 0.040 -3.507 -1.254) 3.725 6.524 ( 5.473 -0.560 -0.105) 5.503 6.534 ( 3.123 -0.055 -0.281) 3.136 7.026 ( -0.237 4.557 -0.493) 4.590 7.112 ( 2.060 0.471 3.099) 3.751 7.710 ( -0.359 3.223 -3.728) 4.941 7.755 ( -1.589 2.033 2.007) 3.269 8.315 ( -0.305 5.147 -3.256) 6.098 8.421 ( 0.146 3.246 3.208) 4.566 8.759 ( -5.855 -5.493 -5.999) 10.022 8.902 ( -7.937 -7.497 7.527) 13.262 9.076 ( -2.726 1.789 0.018) 3.260 9.228 ( 6.342 -3.326 -0.030) 7.161 9.417 ( -8.019 3.492 -3.508) 9.424 9.623 ( -0.716 -5.149 2.616) 5.820 10.171 ( 8.691 3.347 -1.940) 9.513 10.260 ( 10.934 -0.148 0.682) 10.956 10.696 ( -2.002 5.530 -4.782) 7.580 10.802 ( -1.832 -0.189 2.458) 3.072 12.816 ( 2.981 1.865 3.418) 4.904 13.000 ( 1.073 -7.769 9.569) 12.373 13.224 ( 11.329 5.285 -2.375) 12.725 13.422 ( 13.206 -5.907 1.697) 14.567 15.092 ( -1.348 3.318 -1.925) 4.066 15.241 ( 0.170 -2.825 7.035) 7.583 15.608 ( 2.448 0.058 0.807) 2.578 15.647 ( 7.523 -1.740 -0.380) 7.730 18.669 ( -13.132 11.365 -12.193) 21.220 18.885 ( -8.709 0.398 -1.255) 8.808 20.947 ( 0.298 -1.159 0.579) 1.329 20.980 ( 1.088 -2.459 1.804) 3.238 ======================= Grid point 318 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 9.159 4.438 3.114) 10.644 1.688 ( 6.144 8.008 -5.666) 11.575 1.822 ( -1.281 0.701 7.206) 7.353 1.858 ( 1.609 2.137 3.045) 4.054 1.985 ( 2.469 -3.358 -4.785) 6.346 2.014 ( 1.175 -2.200 6.966) 7.400 2.062 ( 1.012 -7.631 8.537) 11.495 2.184 ( -2.145 0.794 5.948) 6.373 2.241 ( -3.739 -2.939 -3.842) 6.114 2.396 ( 0.753 -0.365 -4.804) 4.876 2.553 ( 0.030 -5.958 2.270) 6.376 2.561 ( -3.189 -9.297 -2.556) 10.155 3.178 ( -0.933 10.455 -15.328) 18.578 3.245 ( -4.706 8.951 -1.437) 10.214 3.366 ( -7.925 3.453 -8.902) 12.409 3.459 ( -7.913 5.423 -8.260) 12.659 3.652 ( -5.990 1.751 3.086) 6.962 3.801 ( -0.677 3.201 3.607) 4.870 3.930 ( -2.492 -0.324 1.930) 3.169 4.062 ( 1.025 2.473 -0.174) 2.682 4.245 ( 1.383 3.017 0.928) 3.447 4.434 ( 2.413 -4.466 4.073) 6.509 4.654 ( 4.383 2.281 -1.007) 5.043 4.715 ( -0.561 -3.713 -2.016) 4.262 4.953 ( -4.077 -2.288 -0.318) 4.685 5.076 ( -1.574 -3.313 -0.917) 3.781 5.207 ( 0.892 -2.937 5.545) 6.338 5.219 ( -4.795 -2.184 2.610) 5.880 6.205 ( -1.167 1.233 1.189) 2.073 6.329 ( -0.669 -2.793 -1.854) 3.418 6.584 ( 3.002 2.228 -0.010) 3.739 6.639 ( 8.317 -0.227 -0.722) 8.352 7.023 ( -0.485 6.924 0.558) 6.963 7.164 ( 0.554 1.557 1.147) 2.011 7.661 ( -0.599 1.769 -2.783) 3.351 7.746 ( -1.276 -0.763 1.172) 1.893 8.298 ( -0.013 4.321 0.061) 4.322 8.457 ( 1.845 0.282 0.548) 1.945 8.590 ( -8.083 -2.341 -3.636) 9.167 8.840 ( -10.195 -7.946 5.183) 13.926 9.002 ( -3.579 3.862 -0.450) 5.284 9.193 ( -6.079 -3.047 -5.153) 8.532 9.363 ( 2.053 2.794 1.015) 3.613 9.612 ( -2.222 -7.022 -0.894) 7.419 10.320 ( 9.620 2.084 -1.480) 9.954 10.450 ( 10.856 -2.136 -0.955) 11.106 10.647 ( 2.837 5.734 -1.381) 6.544 10.787 ( -2.247 -2.044 2.533) 3.955 12.926 ( 3.283 2.451 3.933) 5.679 13.016 ( -2.620 -2.335 2.080) 4.080 13.595 ( 27.436 8.510 5.607) 29.267 13.741 ( 18.298 0.720 9.910) 20.822 15.079 ( 0.620 4.570 0.808) 4.682 15.323 ( -1.035 -6.274 8.886) 10.927 15.661 ( 4.066 3.471 -1.288) 5.498 15.809 ( 11.989 -2.272 0.414) 12.209 18.230 ( -20.326 10.132 -16.711) 28.197 18.609 ( -18.656 -8.344 -7.400) 21.735 20.973 ( 1.329 -0.056 1.468) 1.981 21.022 ( 1.015 -2.099 2.427) 3.365 ======================= Grid point 319 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 2.808 10.124 -7.757) 13.060 1.766 ( 5.932 5.664 -4.176) 9.204 1.845 ( -2.332 2.772 3.076) 4.752 1.913 ( -0.588 -1.480 -0.707) 1.743 1.949 ( 0.001 -3.135 2.155) 3.804 2.040 ( 0.580 -5.848 -2.797) 6.508 2.146 ( -2.198 0.990 5.121) 5.660 2.230 ( 2.246 -2.578 1.502) 3.735 2.261 ( -0.021 -2.029 12.812) 12.972 2.423 ( 2.405 1.873 1.380) 3.346 2.492 ( 0.591 -8.633 -1.630) 8.806 2.610 ( -0.456 -6.495 2.951) 7.149 3.030 ( 2.000 6.424 -13.843) 15.391 3.102 ( -3.025 -1.043 -14.517) 14.866 3.184 ( -5.603 7.613 -0.159) 9.454 3.250 ( -7.296 6.598 -3.855) 10.566 3.616 ( -5.049 -0.077 6.172) 7.974 3.792 ( -7.878 -5.728 3.359) 10.303 3.862 ( -5.230 3.177 -0.914) 6.187 4.062 ( 0.728 2.760 -1.882) 3.419 4.269 ( 1.649 3.982 1.405) 4.533 4.505 ( 2.382 -0.465 0.950) 2.606 4.664 ( -1.476 -2.467 -1.164) 3.102 4.712 ( 3.176 0.902 -0.171) 3.306 4.878 ( -2.847 -0.833 -0.941) 3.112 5.081 ( 0.248 -7.123 -1.131) 7.216 5.180 ( -3.469 1.032 3.244) 4.861 5.266 ( -0.000 -2.235 3.332) 4.013 6.218 ( 0.569 3.108 2.074) 3.780 6.340 ( 3.026 -0.116 0.862) 3.149 6.623 ( 0.808 2.890 1.362) 3.295 6.751 ( 7.153 -1.459 -2.553) 7.734 7.018 ( -1.546 7.724 1.494) 8.018 7.145 ( -1.183 3.399 -3.051) 4.718 7.638 ( 0.702 1.396 -1.488) 2.158 7.760 ( 0.578 -3.195 2.432) 4.056 8.271 ( -5.400 5.599 0.139) 7.780 8.457 ( -1.846 -1.668 -2.349) 3.422 8.495 ( 2.580 -2.429 -0.518) 3.581 8.677 ( -12.870 -7.377 0.586) 14.846 8.983 ( -1.662 2.793 2.640) 4.187 9.064 ( -2.390 -0.461 -4.155) 4.815 9.374 ( -0.758 -1.107 -1.244) 1.830 9.530 ( -4.718 -6.682 -3.099) 8.747 10.387 ( 3.805 1.085 -3.802) 5.487 10.528 ( 1.531 -4.193 -2.574) 5.153 10.782 ( 9.253 2.598 3.730) 10.309 10.845 ( 4.770 -0.569 4.616) 6.662 12.983 ( 1.343 2.365 0.230) 2.729 13.009 ( 0.117 0.197 0.171) 0.286 14.137 ( 21.180 17.779 15.041) 31.479 14.216 ( 27.403 12.371 11.048) 32.032 15.116 ( 2.184 2.626 0.516) 3.454 15.410 ( -1.569 -9.041 10.227) 13.740 15.698 ( 5.416 9.983 -6.124) 12.903 16.011 ( 10.334 0.377 1.639) 10.470 17.682 ( -21.307 0.405 -18.242) 28.052 18.159 ( -24.067 -19.011 -9.345) 32.062 21.018 ( 1.851 0.595 1.622) 2.532 21.063 ( 0.553 -1.349 2.323) 2.742 ======================= Grid point 320 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -0.005 6.756 -4.472) 8.102 1.755 ( -3.818 2.217 -5.852) 7.330 1.855 ( 5.551 0.871 -2.246) 6.051 1.889 ( 1.916 0.313 1.332) 2.354 1.984 ( -0.399 -3.232 3.126) 4.514 2.031 ( 2.007 -5.064 -1.971) 5.793 2.219 ( 0.606 1.374 3.572) 3.874 2.255 ( 2.197 4.440 -0.403) 4.970 2.368 ( -2.344 2.938 7.399) 8.299 2.416 ( -3.710 1.941 0.156) 4.190 2.535 ( -0.691 -4.809 2.365) 5.404 2.635 ( 0.262 -8.020 7.450) 10.950 2.863 ( -2.618 5.930 -8.453) 10.653 2.991 ( 0.846 3.616 -12.885) 13.409 3.085 ( 4.422 -5.789 -4.329) 8.474 3.212 ( 3.475 1.904 -0.163) 3.966 3.536 ( -12.976 -8.609 2.586) 15.785 3.591 ( -16.502 -11.354 -0.884) 20.051 3.869 ( 3.547 12.516 4.371) 13.724 4.037 ( -0.591 3.991 -2.219) 4.605 4.382 ( 7.625 5.867 4.978) 10.832 4.550 ( 5.257 3.184 -2.053) 6.480 4.636 ( -3.192 1.498 0.621) 3.580 4.755 ( 2.124 -2.931 -0.262) 3.629 4.842 ( -2.163 -3.070 1.042) 3.897 4.983 ( -6.473 -3.472 -5.326) 9.073 5.209 ( 1.337 -0.995 3.005) 3.437 5.282 ( -1.190 -2.289 1.238) 2.861 6.283 ( 3.159 5.904 4.195) 7.902 6.410 ( 3.352 3.359 -0.472) 4.769 6.646 ( -0.757 0.340 3.867) 3.955 6.785 ( 1.460 -2.538 -4.502) 5.371 7.018 ( -0.808 7.142 2.399) 7.577 7.086 ( 0.064 4.265 -4.690) 6.339 7.652 ( 2.690 3.206 -0.613) 4.230 7.780 ( -2.811 0.409 1.741) 3.332 8.189 ( -0.454 0.124 -0.643) 0.797 8.459 ( -11.730 -7.781 -0.204) 14.077 8.467 ( 2.822 -1.578 -0.336) 3.251 8.527 ( 0.199 -3.966 -0.876) 4.067 8.983 ( -1.920 3.003 2.793) 4.528 9.016 ( 0.694 0.268 -3.432) 3.512 9.337 ( -0.851 -3.187 -1.432) 3.596 9.415 ( -4.675 -5.357 -2.663) 7.592 10.406 ( 2.652 -1.941 -1.363) 3.558 10.490 ( -1.759 -5.241 -2.097) 5.913 10.952 ( 6.112 2.129 2.816) 7.058 10.976 ( 4.297 0.971 3.047) 5.356 12.997 ( 0.849 3.266 -0.278) 3.386 13.012 ( 0.342 2.068 -0.540) 2.164 14.574 ( 16.170 24.978 10.380) 31.513 14.799 ( 17.329 28.990 18.137) 38.336 15.149 ( 5.820 -3.151 -2.070) 6.934 15.495 ( -0.458 -4.637 5.996) 7.594 15.702 ( 9.880 13.312 -13.053) 21.100 16.089 ( -8.314 14.205 3.486) 16.824 17.250 ( -4.733 -24.362 -13.707) 28.351 17.673 ( -24.556 -31.002 -5.630) 39.948 21.062 ( 1.674 0.634 0.970) 2.036 21.088 ( -0.181 -0.512 1.495) 1.591 ======================= Grid point 321 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -0.472 1.991 -4.700) 5.126 1.622 ( 0.472 1.991 4.700) 5.126 1.926 ( 4.127 -1.013 -3.286) 5.372 1.926 ( -4.127 -1.013 3.286) 5.372 2.013 ( -0.578 -2.291 -2.696) 3.585 2.013 ( 0.578 -2.291 2.696) 3.585 2.264 ( 0.887 3.999 -2.216) 4.657 2.264 ( -0.887 3.999 2.216) 4.657 2.355 ( 3.019 3.925 -2.015) 5.345 2.355 ( -3.019 3.925 2.015) 5.345 2.625 ( -0.459 -3.252 -9.872) 10.404 2.625 ( 0.459 -3.252 9.872) 10.404 2.847 ( 1.164 4.732 -9.694) 10.850 2.847 ( -1.164 4.732 9.694) 10.850 3.256 ( -9.025 -10.024 -3.198) 13.862 3.256 ( 9.025 -10.024 3.198) 13.862 3.360 ( -8.499 -7.809 0.286) 11.545 3.360 ( 8.499 -7.809 -0.286) 11.545 3.981 ( -2.192 10.030 -4.664) 11.276 3.981 ( 2.192 10.030 4.664) 11.276 4.547 ( 0.348 4.782 -7.063) 8.537 4.547 ( -0.348 4.782 7.063) 8.537 4.684 ( -8.314 -0.277 -3.229) 8.923 4.684 ( 8.314 -0.277 3.229) 8.923 4.854 ( 0.434 -4.128 -6.048) 7.336 4.854 ( -0.434 -4.128 6.048) 7.336 5.259 ( -1.576 -1.930 -1.022) 2.693 5.259 ( 1.576 -1.930 1.022) 2.693 6.387 ( -0.565 6.638 -5.915) 8.909 6.387 ( 0.565 6.638 5.915) 8.909 6.713 ( 0.403 -2.439 -7.644) 8.034 6.713 ( -0.403 -2.439 7.644) 8.034 7.044 ( 0.526 5.298 -3.502) 6.372 7.044 ( -0.526 5.298 3.502) 6.372 7.713 ( -1.494 4.529 -2.188) 5.247 7.713 ( 1.494 4.529 2.188) 5.247 8.272 ( -7.626 -6.478 -1.964) 10.197 8.272 ( 7.626 -6.478 1.964) 10.197 8.512 ( 0.939 -3.207 -2.992) 4.485 8.512 ( -0.939 -3.207 2.992) 4.485 8.992 ( 1.190 2.078 -3.293) 4.071 8.992 ( -1.190 2.078 3.293) 4.071 9.340 ( -1.716 -4.559 -0.709) 4.923 9.340 ( 1.716 -4.559 0.709) 4.923 10.442 ( -1.481 -4.171 -1.219) 4.590 10.442 ( 1.481 -4.171 1.219) 4.590 11.024 ( 0.430 1.748 -0.866) 1.998 11.024 ( -0.430 1.748 0.866) 1.998 13.007 ( 0.510 3.307 -1.185) 3.550 13.007 ( -0.510 3.307 1.185) 3.550 14.875 ( -6.680 26.792 -4.354) 27.954 14.875 ( 6.680 26.792 4.354) 27.954 15.421 ( -8.294 4.955 -11.527) 15.040 15.421 ( 8.294 4.955 11.527) 15.040 15.833 ( 13.210 16.109 -13.539) 24.846 15.833 ( -13.210 16.109 13.539) 24.846 17.293 ( -18.303 -38.294 2.558) 42.521 17.293 ( 18.303 -38.294 -2.558) 42.521 21.089 ( -0.651 0.203 0.071) 0.686 21.089 ( 0.651 0.203 -0.071) 0.686 ======================= Grid point 327 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -0.000 -0.000 0.000) 0.000 1.370 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 -0.000 -0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 -0.000) 0.000 1.934 ( -0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 -0.000) 0.000 2.009 ( 0.000 0.000 -0.000) 0.000 2.417 ( 0.000 -0.000 -0.000) 0.000 2.417 ( -0.000 0.000 0.000) 0.000 2.624 ( -0.000 0.000 -0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 3.608 ( -0.000 -0.000 -0.000) 0.000 3.608 ( -0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 -0.000) 0.000 3.644 ( -0.000 0.000 0.000) 0.000 3.877 ( 0.000 -0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 -0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 4.207 ( -0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.589 ( -0.000 0.000 0.000) 0.000 4.589 ( -0.000 0.000 0.000) 0.000 4.964 ( -0.000 0.000 0.000) 0.000 4.964 ( -0.000 0.000 0.000) 0.000 5.269 ( -0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 6.327 ( -0.000 0.000 0.000) 0.000 6.327 ( 0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 0.000) 0.000 6.466 ( -0.000 0.000 0.000) 0.000 7.070 ( -0.000 0.000 0.000) 0.000 7.070 ( -0.000 0.000 0.000) 0.000 7.785 ( -0.000 0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 8.437 ( 0.000 0.000 0.000) 0.000 8.437 ( -0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.547 ( -0.000 0.000 -0.000) 0.000 9.547 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.170 ( -0.000 0.000 0.000) 0.000 10.799 ( -0.000 0.000 0.000) 0.000 10.799 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 13.229 ( -0.000 0.000 0.000) 0.000 13.229 ( -0.000 0.000 0.000) 0.000 15.152 ( 0.000 0.000 0.000) 0.000 15.152 ( 0.000 0.000 0.000) 0.000 15.577 ( 0.000 0.000 0.000) 0.000 15.577 ( -0.000 0.000 0.000) 0.000 18.983 ( 0.000 0.000 0.000) 0.000 18.983 ( -0.000 0.000 0.000) 0.000 20.928 ( -0.000 0.000 0.000) 0.000 20.928 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 331 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 6.617 -5.827 10.427) 13.655 1.498 ( 6.617 5.827 10.427) 13.655 1.793 ( 3.345 -3.282 -1.238) 4.847 1.793 ( 3.345 3.282 -1.238) 4.847 1.961 ( -0.860 -2.656 5.252) 5.948 1.961 ( -0.860 2.656 5.252) 5.948 2.012 ( 2.277 -3.865 -1.986) 4.906 2.012 ( 2.277 3.865 -1.986) 4.906 2.418 ( -1.329 -5.040 0.491) 5.235 2.418 ( -1.329 5.040 0.491) 5.235 2.533 ( -5.233 -4.218 -5.262) 8.536 2.533 ( -5.233 4.218 -5.262) 8.536 3.496 ( -3.765 -0.413 -10.242) 10.919 3.496 ( -3.765 0.413 -10.242) 10.919 3.616 ( -4.895 -5.610 0.835) 7.492 3.616 ( -4.895 5.610 0.835) 7.492 3.824 ( -5.465 -7.869 -1.772) 9.743 3.824 ( -5.465 7.869 -1.772) 9.743 3.993 ( 2.185 -4.000 1.427) 4.776 3.993 ( 2.185 4.000 1.427) 4.776 4.253 ( 2.575 -3.721 2.735) 5.287 4.253 ( 2.575 3.721 2.735) 5.287 4.628 ( 4.320 -2.061 -0.578) 4.822 4.628 ( 4.320 2.061 -0.578) 4.822 4.992 ( 0.209 -4.511 2.777) 5.301 4.992 ( 0.209 4.511 2.777) 5.301 5.219 ( -5.129 -2.744 0.596) 5.848 5.219 ( -5.129 2.744 0.596) 5.848 6.289 ( -2.422 -3.655 -1.092) 4.519 6.289 ( -2.422 3.655 -1.092) 4.519 6.525 ( 5.960 -0.591 -0.228) 5.993 6.525 ( 5.960 0.591 -0.228) 5.993 7.095 ( 1.199 -2.210 2.130) 3.295 7.095 ( 1.199 2.210 2.130) 3.295 7.765 ( -1.129 -1.456 -2.010) 2.727 7.765 ( -1.129 1.456 -2.010) 2.727 8.411 ( -0.155 -3.927 -3.384) 5.186 8.411 ( -0.155 3.927 -3.384) 5.186 8.758 ( -7.336 -5.299 4.359) 10.045 8.758 ( -7.336 5.299 4.359) 10.045 9.143 ( 0.805 -4.356 -0.631) 4.475 9.143 ( 0.805 4.356 -0.631) 4.475 9.514 ( -3.091 -5.526 0.142) 6.334 9.514 ( -3.091 5.526 0.142) 6.334 10.233 ( 7.848 -2.425 -0.234) 8.217 10.233 ( 7.848 2.425 -0.234) 8.217 10.777 ( -1.679 -2.582 -1.381) 3.375 10.777 ( -1.679 2.582 -1.381) 3.375 12.877 ( 2.914 -4.568 7.326) 9.112 12.877 ( 2.914 4.568 7.326) 9.112 13.324 ( 15.088 -4.602 -1.574) 15.852 13.324 ( 15.088 4.602 -1.574) 15.852 15.162 ( -1.028 -4.095 3.088) 5.231 15.162 ( -1.028 4.095 3.088) 5.231 15.621 ( 5.535 -0.976 -0.184) 5.624 15.621 ( 5.535 0.976 -0.184) 5.624 18.839 ( -13.177 -5.370 -6.398) 15.602 18.839 ( -13.177 5.370 -6.398) 15.602 20.944 ( 1.102 -0.921 1.223) 1.887 20.944 ( 1.102 0.921 1.223) 1.887 ======================= Grid point 333 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 5.200 -5.584 10.958) 13.353 1.733 ( 5.200 5.584 10.958) 13.353 1.834 ( 3.273 -4.501 -1.632) 5.799 1.834 ( 3.273 4.501 -1.632) 5.799 1.970 ( -0.915 -2.760 -0.785) 3.012 1.970 ( -0.915 2.760 -0.785) 3.012 2.083 ( 4.173 -7.926 3.122) 9.486 2.083 ( 4.173 7.926 3.122) 9.486 2.315 ( -5.136 -6.955 -3.277) 9.247 2.315 ( -5.136 6.955 -3.277) 9.247 2.480 ( 0.191 -2.061 1.371) 2.482 2.480 ( 0.191 2.061 1.371) 2.482 3.292 ( -3.163 -2.452 -15.152) 15.672 3.292 ( -3.163 2.452 -15.152) 15.672 3.515 ( -9.326 -6.923 1.521) 11.714 3.515 ( -9.326 6.923 1.521) 11.715 3.701 ( -7.554 -9.027 0.195) 11.772 3.701 ( -7.554 9.027 0.195) 11.772 4.034 ( 1.641 -5.894 -0.899) 6.184 4.034 ( 1.641 5.894 -0.899) 6.184 4.325 ( 2.574 -6.207 2.599) 7.204 4.325 ( 2.574 6.207 2.599) 7.204 4.680 ( 2.883 -1.662 -1.444) 3.627 4.680 ( 2.883 1.662 -1.444) 3.627 4.981 ( -2.638 -4.879 -0.812) 5.606 4.981 ( -2.638 4.879 -0.812) 5.606 5.189 ( -2.162 -0.783 5.004) 5.507 5.189 ( -2.162 0.783 5.004) 5.507 6.258 ( -0.618 -3.705 0.676) 3.817 6.258 ( -0.618 3.705 0.676) 3.817 6.622 ( 7.003 -1.522 -1.697) 7.364 6.622 ( 7.003 1.522 -1.697) 7.364 7.136 ( 0.353 -3.980 2.080) 4.505 7.136 ( 0.353 3.980 2.080) 4.505 7.712 ( -1.290 -2.705 -2.826) 4.119 7.712 ( -1.290 2.705 -2.826) 4.119 8.383 ( 0.846 -4.609 -2.034) 5.108 8.383 ( 0.846 4.609 -2.034) 5.108 8.675 ( -9.406 -7.742 3.944) 12.805 8.675 ( -9.406 7.742 3.944) 12.805 9.096 ( -3.679 -5.411 -1.643) 6.746 9.096 ( -3.679 5.411 -1.643) 6.746 9.472 ( -1.842 -6.782 -1.239) 7.136 9.472 ( -1.842 6.782 -1.239) 7.136 10.383 ( 8.941 -3.845 -0.301) 9.737 10.383 ( 8.941 3.845 -0.301) 9.737 10.739 ( -0.165 -3.339 -0.106) 3.345 10.739 ( -0.165 3.339 -0.106) 3.345 12.970 ( 0.576 -2.258 4.062) 4.683 12.970 ( 0.576 2.258 4.062) 4.683 13.722 ( 29.666 -3.617 6.385) 30.560 13.722 ( 29.666 3.617 6.385) 30.560 15.184 ( -2.149 -6.346 5.177) 8.467 15.184 ( -2.149 6.346 5.177) 8.467 15.744 ( 10.161 -4.009 -0.886) 10.960 15.744 ( 10.161 4.009 -0.886) 10.960 18.430 ( -24.364 -9.648 -11.553) 28.638 18.430 ( -24.364 9.648 -11.553) 28.638 20.986 ( 1.678 -1.354 1.978) 2.926 20.986 ( 1.678 1.354 1.978) 2.926 ======================= Grid point 335 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.629 -3.730 -3.046) 4.857 1.812 ( 0.629 3.730 -3.046) 4.857 1.900 ( 1.123 -2.426 4.853) 5.541 1.900 ( 1.123 2.426 4.853) 5.541 1.927 ( -0.660 -3.132 -5.843) 6.662 1.927 ( -0.660 3.132 -5.843) 6.662 2.169 ( 3.353 -1.307 5.249) 6.364 2.169 ( 3.353 1.307 5.249) 6.364 2.307 ( 1.872 -6.257 4.760) 8.081 2.307 ( 1.872 6.257 4.760) 8.081 2.506 ( -0.379 -4.214 1.350) 4.441 2.506 ( -0.379 4.214 1.350) 4.441 3.080 ( -0.748 -1.040 -15.514) 15.567 3.080 ( -0.748 1.040 -15.514) 15.567 3.364 ( -10.446 -3.297 0.989) 10.998 3.364 ( -10.446 3.297 0.989) 10.998 3.581 ( -9.895 -5.806 1.745) 11.604 3.581 ( -9.895 5.806 1.745) 11.604 4.023 ( 0.550 -6.622 -2.130) 6.978 4.023 ( 0.550 6.622 -2.130) 6.978 4.404 ( 3.067 -8.321 3.803) 9.649 4.404 ( 3.067 8.321 3.803) 9.649 4.688 ( 1.594 -3.168 -2.607) 4.402 4.688 ( 1.594 3.168 -2.607) 4.402 4.937 ( -1.440 -6.380 -1.206) 6.651 4.937 ( -1.440 6.380 -1.206) 6.651 5.217 ( -1.438 -2.458 3.970) 4.886 5.217 ( -1.438 2.458 3.970) 4.886 6.293 ( 2.041 -3.886 3.611) 5.684 6.293 ( 2.041 3.886 3.611) 5.684 6.697 ( 4.952 -3.811 -2.848) 6.868 6.697 ( 4.952 3.811 -2.848) 6.868 7.140 ( -1.109 -3.768 -0.209) 3.933 7.140 ( -1.109 3.768 -0.209) 3.933 7.688 ( 1.380 -3.561 -0.884) 3.920 7.688 ( 1.380 3.561 -0.884) 3.920 8.379 ( -2.121 -4.730 1.011) 5.281 8.379 ( -2.121 4.730 1.011) 5.281 8.540 ( -7.880 -5.418 -1.241) 9.643 8.540 ( -7.880 5.418 -1.241) 9.643 9.036 ( -2.053 -2.367 -0.153) 3.137 9.036 ( -2.053 2.367 -0.153) 3.137 9.410 ( -2.983 -4.611 -2.807) 6.168 9.410 ( -2.983 4.611 -2.807) 6.168 10.440 ( 1.219 -4.028 -3.212) 5.294 10.440 ( 1.219 4.028 -3.212) 5.294 10.827 ( 6.970 -1.648 4.382) 8.397 10.827 ( 6.970 1.648 4.382) 8.397 13.008 ( 0.971 -0.480 1.192) 1.611 13.008 ( 0.971 0.480 1.192) 1.611 14.346 ( 32.923 -1.797 11.872) 35.045 14.346 ( 32.923 1.797 11.872) 35.045 15.214 ( -2.088 -8.262 6.544) 10.744 15.214 ( -2.088 8.262 6.544) 10.744 15.910 ( 12.892 -9.384 -3.225) 16.268 15.910 ( 12.892 9.384 -3.225) 16.268 17.826 ( -32.022 -13.245 -13.738) 37.277 17.826 ( -32.022 13.245 -13.738) 37.277 21.036 ( 1.574 -1.220 1.988) 2.813 21.036 ( 1.574 1.220 1.988) 2.813 ======================= Grid point 337 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -5.501 -4.738 -4.015) 8.296 1.724 ( -5.501 4.738 -4.015) 8.296 1.893 ( 4.125 -3.206 -3.163) 6.107 1.893 ( 4.125 3.206 -3.163) 6.107 1.954 ( 1.858 -2.390 1.072) 3.211 1.954 ( 1.858 2.390 1.072) 3.211 2.271 ( 3.488 -2.937 1.311) 4.745 2.271 ( 3.488 2.937 1.311) 4.745 2.446 ( -0.611 -3.158 3.801) 4.979 2.446 ( -0.611 3.158 3.801) 4.979 2.481 ( -0.079 -5.409 7.194) 9.001 2.481 ( -0.079 5.409 7.194) 9.001 2.948 ( 4.940 -4.040 -11.843) 13.453 2.948 ( 4.940 4.040 -11.843) 13.453 3.211 ( -8.733 -9.083 -1.146) 12.652 3.211 ( -8.733 9.083 -1.146) 12.652 3.398 ( -13.031 -4.150 -0.317) 13.679 3.398 ( -13.031 4.150 -0.317) 13.679 4.055 ( 3.578 -4.244 1.532) 5.759 4.055 ( 3.578 4.244 1.532) 5.759 4.510 ( 4.315 -6.478 3.972) 8.739 4.510 ( 4.315 6.478 3.972) 8.739 4.686 ( 1.629 -3.729 -2.251) 4.650 4.686 ( 1.629 3.729 -2.251) 4.650 4.876 ( -4.236 -5.664 -2.401) 7.469 4.876 ( -4.236 5.664 -2.401) 7.469 5.232 ( -0.663 -2.433 1.952) 3.189 5.232 ( -0.663 2.433 1.952) 3.189 6.395 ( 3.713 -4.440 5.314) 7.857 6.395 ( 3.713 4.440 5.314) 7.857 6.703 ( 0.508 -4.852 -3.860) 6.221 6.703 ( 0.508 4.852 -3.860) 6.221 7.115 ( -0.444 -1.865 -1.180) 2.251 7.115 ( -0.444 1.865 -1.180) 2.251 7.730 ( 3.249 -4.291 0.655) 5.422 7.730 ( 3.249 4.291 0.655) 5.422 8.279 ( -9.372 -8.014 0.603) 12.346 8.279 ( -9.372 8.014 0.603) 12.346 8.476 ( 1.247 -1.450 -1.974) 2.748 8.476 ( 1.247 1.450 -1.974) 2.748 9.020 ( -0.393 -0.596 0.268) 0.763 9.020 ( -0.393 0.596 0.268) 0.763 9.327 ( -3.065 -2.548 -2.245) 4.574 9.327 ( -3.065 2.548 -2.245) 4.574 10.411 ( -0.191 -2.333 -1.948) 3.045 10.411 ( -0.191 2.333 -1.948) 3.045 10.981 ( 5.173 -0.669 3.253) 6.147 10.981 ( 5.173 0.669 3.253) 6.147 13.032 ( 0.924 -0.284 0.288) 1.009 13.032 ( 0.924 0.284 0.288) 1.009 14.943 ( 21.175 -11.947 7.921) 25.571 14.943 ( 21.175 11.947 7.921) 25.571 15.301 ( 3.609 -14.743 11.438) 19.006 15.301 ( 3.609 14.743 11.438) 19.006 16.079 ( 15.970 -17.819 -7.403) 25.047 16.079 ( 15.970 17.819 -7.403) 25.047 17.138 ( -34.262 -17.215 -10.819) 39.841 17.138 ( -34.262 17.215 -10.819) 39.841 21.076 ( 0.926 -0.697 1.236) 1.694 21.076 ( 0.926 0.697 1.236) 1.694 ======================= Grid point 339 (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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.16e-06 1.16e-06 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 0.000 -0.000) 0.000 1.644 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 -0.000) 0.000 1.919 ( 0.000 0.000 -0.000) 0.000 1.981 ( 0.000 0.000 -0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 2.325 ( -0.000 -0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 -0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 -0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 3.026 ( -0.000 -0.000 -0.000) 0.000 3.026 ( 0.000 0.000 -0.000) 0.000 3.029 ( 0.000 -0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 -0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 -0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.592 ( 0.000 -0.000 -0.000) 0.000 4.592 ( 0.000 0.000 -0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.691 ( -0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 -0.000) 0.000 4.793 ( 0.000 0.000 -0.000) 0.000 5.239 ( 0.000 0.000 -0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 -0.000) 0.000 6.479 ( 0.000 -0.000 0.000) 0.000 6.663 ( 0.000 0.000 -0.000) 0.000 6.663 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 -0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.770 ( 0.000 0.000 -0.000) 0.000 7.770 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 -0.000) 0.000 8.192 ( 0.000 0.000 -0.000) 0.000 8.479 ( 0.000 0.000 -0.000) 0.000 8.479 ( 0.000 0.000 0.000) 0.000 9.020 ( 0.000 0.000 0.000) 0.000 9.020 ( 0.000 0.000 0.000) 0.000 9.285 ( 0.000 0.000 -0.000) 0.000 9.285 ( 0.000 0.000 0.000) 0.000 10.399 ( 0.000 0.000 -0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 11.042 ( 0.000 0.000 0.000) 0.000 11.042 ( 0.000 0.000 0.000) 0.000 13.042 ( 0.000 0.000 0.000) 0.000 13.042 ( 0.000 0.000 0.000) 0.000 15.110 ( 0.000 0.000 -0.000) 0.000 15.110 ( 0.000 0.000 -0.000) 0.000 15.499 ( 0.000 0.000 -0.000) 0.000 15.499 ( 0.000 0.000 0.000) 0.000 16.240 ( 0.000 -0.000 -0.000) 0.000 16.240 ( 0.000 0.000 -0.000) 0.000 16.670 ( 0.000 -0.000 0.000) 0.000 16.670 ( 0.000 0.000 0.000) 0.000 21.091 ( 0.000 0.000 -0.000) 0.000 21.091 ( 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 10.0 364.374 471.896 494.759 0.000 -65.395 0.000 3/28800 20.0 64.804 66.390 73.710 0.000 -10.998 0.000 3/28800 30.0 26.622 25.884 30.441 0.000 -4.181 0.000 3/28800 40.0 15.465 14.710 17.797 0.000 -2.310 0.000 3/28800 50.0 10.662 10.020 12.289 0.000 -1.529 0.000 3/28800 60.0 8.079 7.536 9.301 0.000 -1.121 0.000 3/28800 70.0 6.492 6.025 7.454 0.000 -0.877 0.000 3/28800 80.0 5.428 5.019 6.212 0.000 -0.717 0.000 3/28800 90.0 4.671 4.307 5.325 0.000 -0.605 0.000 3/28800 100.0 4.108 3.778 4.662 0.000 -0.522 0.000 3/28800 110.0 3.673 3.372 4.150 0.000 -0.459 0.000 3/28800 120.0 3.328 3.050 3.743 0.000 -0.409 0.000 3/28800 130.0 3.048 2.790 3.412 0.000 -0.369 0.000 3/28800 140.0 2.816 2.575 3.138 0.000 -0.336 0.000 3/28800 150.0 2.620 2.394 2.907 0.000 -0.308 0.000 3/28800 160.0 2.452 2.240 2.709 0.000 -0.284 0.000 3/28800 170.0 2.306 2.106 2.538 0.000 -0.264 0.000 3/28800 180.0 2.179 1.989 2.389 0.000 -0.246 0.000 3/28800 190.0 2.066 1.886 2.258 0.000 -0.231 0.000 3/28800 200.0 1.965 1.794 2.141 0.000 -0.217 0.000 3/28800 210.0 1.874 1.711 2.036 0.000 -0.205 0.000 3/28800 220.0 1.792 1.636 1.941 0.000 -0.194 0.000 3/28800 230.0 1.717 1.568 1.855 0.000 -0.184 0.000 3/28800 240.0 1.648 1.506 1.777 0.000 -0.175 0.000 3/28800 250.0 1.585 1.448 1.706 0.000 -0.167 0.000 3/28800 260.0 1.527 1.395 1.640 0.000 -0.160 0.000 3/28800 270.0 1.473 1.346 1.579 0.000 -0.153 0.000 3/28800 280.0 1.423 1.301 1.523 0.000 -0.147 0.000 3/28800 290.0 1.376 1.258 1.470 0.000 -0.141 0.000 3/28800 300.0 1.333 1.219 1.422 0.000 -0.136 0.000 3/28800 310.0 1.292 1.182 1.376 0.000 -0.131 0.000 3/28800 320.0 1.253 1.147 1.333 0.000 -0.127 0.000 3/28800 330.0 1.217 1.114 1.293 0.000 -0.122 0.000 3/28800 340.0 1.183 1.083 1.256 0.000 -0.118 0.000 3/28800 350.0 1.151 1.053 1.220 0.000 -0.115 0.000 3/28800 360.0 1.120 1.025 1.187 0.000 -0.111 0.000 3/28800 370.0 1.091 0.999 1.155 0.000 -0.108 0.000 3/28800 380.0 1.063 0.974 1.125 0.000 -0.105 0.000 3/28800 390.0 1.037 0.950 1.096 0.000 -0.102 0.000 3/28800 400.0 1.012 0.927 1.069 0.000 -0.099 0.000 3/28800 410.0 0.989 0.906 1.043 0.000 -0.097 0.000 3/28800 420.0 0.966 0.885 1.019 0.000 -0.094 0.000 3/28800 430.0 0.944 0.865 0.995 0.000 -0.092 0.000 3/28800 440.0 0.924 0.847 0.973 0.000 -0.090 0.000 3/28800 450.0 0.904 0.829 0.952 0.000 -0.087 0.000 3/28800 460.0 0.885 0.811 0.931 0.000 -0.085 0.000 3/28800 470.0 0.867 0.795 0.912 0.000 -0.083 0.000 3/28800 480.0 0.849 0.779 0.893 0.000 -0.082 0.000 3/28800 490.0 0.832 0.763 0.875 0.000 -0.080 0.000 3/28800 500.0 0.816 0.749 0.857 0.000 -0.078 0.000 3/28800 510.0 0.801 0.734 0.841 0.000 -0.077 0.000 3/28800 520.0 0.786 0.721 0.825 0.000 -0.075 0.000 3/28800 530.0 0.771 0.708 0.809 0.000 -0.074 0.000 3/28800 540.0 0.757 0.695 0.795 0.000 -0.072 0.000 3/28800 550.0 0.744 0.683 0.780 0.000 -0.071 0.000 3/28800 560.0 0.731 0.671 0.766 0.000 -0.069 0.000 3/28800 570.0 0.719 0.659 0.753 0.000 -0.068 0.000 3/28800 580.0 0.706 0.648 0.740 0.000 -0.067 0.000 3/28800 590.0 0.695 0.638 0.728 0.000 -0.066 0.000 3/28800 600.0 0.683 0.627 0.716 0.000 -0.065 0.000 3/28800 610.0 0.672 0.617 0.704 0.000 -0.063 0.000 3/28800 620.0 0.662 0.608 0.693 0.000 -0.062 0.000 3/28800 630.0 0.652 0.598 0.682 0.000 -0.061 0.000 3/28800 640.0 0.642 0.589 0.671 0.000 -0.060 0.000 3/28800 650.0 0.632 0.580 0.661 0.000 -0.059 0.000 3/28800 660.0 0.623 0.572 0.651 0.000 -0.058 0.000 3/28800 670.0 0.613 0.563 0.642 0.000 -0.058 0.000 3/28800 680.0 0.605 0.555 0.632 0.000 -0.057 0.000 3/28800 690.0 0.596 0.547 0.623 0.000 -0.056 0.000 3/28800 700.0 0.588 0.540 0.614 0.000 -0.055 0.000 3/28800 710.0 0.579 0.532 0.606 0.000 -0.054 0.000 3/28800 720.0 0.572 0.525 0.597 0.000 -0.053 0.000 3/28800 730.0 0.564 0.518 0.589 0.000 -0.053 0.000 3/28800 740.0 0.556 0.511 0.581 0.000 -0.052 0.000 3/28800 750.0 0.549 0.504 0.574 0.000 -0.051 0.000 3/28800 760.0 0.542 0.498 0.566 0.000 -0.051 0.000 3/28800 770.0 0.535 0.491 0.559 0.000 -0.050 0.000 3/28800 780.0 0.528 0.485 0.552 0.000 -0.049 0.000 3/28800 790.0 0.522 0.479 0.545 0.000 -0.049 0.000 3/28800 800.0 0.515 0.473 0.538 0.000 -0.048 0.000 3/28800 810.0 0.509 0.468 0.531 0.000 -0.047 0.000 3/28800 820.0 0.503 0.462 0.525 0.000 -0.047 0.000 3/28800 830.0 0.497 0.456 0.519 0.000 -0.046 0.000 3/28800 840.0 0.491 0.451 0.513 0.000 -0.046 0.000 3/28800 850.0 0.485 0.446 0.507 0.000 -0.045 0.000 3/28800 860.0 0.480 0.441 0.501 0.000 -0.045 0.000 3/28800 870.0 0.474 0.436 0.495 0.000 -0.044 0.000 3/28800 880.0 0.469 0.431 0.489 0.000 -0.044 0.000 3/28800 890.0 0.464 0.426 0.484 0.000 -0.043 0.000 3/28800 900.0 0.459 0.421 0.479 0.000 -0.043 0.000 3/28800 910.0 0.454 0.417 0.473 0.000 -0.042 0.000 3/28800 920.0 0.449 0.412 0.468 0.000 -0.042 0.000 3/28800 930.0 0.444 0.408 0.463 0.000 -0.041 0.000 3/28800 940.0 0.439 0.404 0.458 0.000 -0.041 0.000 3/28800 950.0 0.435 0.400 0.453 0.000 -0.040 0.000 3/28800 960.0 0.430 0.395 0.449 0.000 -0.040 0.000 3/28800 970.0 0.426 0.391 0.444 0.000 -0.039 0.000 3/28800 980.0 0.422 0.387 0.440 0.000 -0.039 0.000 3/28800 990.0 0.417 0.384 0.435 0.000 -0.039 0.000 3/28800 1000.0 0.413 0.380 0.431 0.000 -0.038 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 00:48:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|