----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:35:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.358427760002352 -4.813619575000001 0.000000000000000 b 4.358427760002352 4.813619575000001 0.000000000000000 c -2.507263857388557 0.000000000000000 6.689284905967483 Atomic positions (fractional): *1 C 0.60380079875075 0.85076745316753 0.75057761105621 12.011 2 C 0.14923254683247 0.39619920124925 0.74942238894379 12.011 3 C 0.39619920124925 0.14923254683247 0.24942238894379 12.011 4 C 0.85076745316753 0.60380079875075 0.25057761105621 12.011 *5 O 0.04970499099762 0.59899051253681 0.26621322508671 15.999 6 O 0.40100948746319 0.95029500900238 0.23378677491329 15.999 7 O 0.95029500900238 0.40100948746319 0.73378677491329 15.999 8 O 0.59899051253681 0.04970499099762 0.76621322508671 15.999 *9 O 0.78357993148037 0.73669856293906 0.37912607211875 15.999 10 O 0.26330143706094 0.21642006851963 0.12087392788125 15.999 11 O 0.21642006851963 0.26330143706094 0.62087392788125 15.999 12 O 0.73669856293906 0.78357993148037 0.87912607211875 15.999 *13 O 0.70125223058423 0.46822133480762 0.10409154764002 15.999 14 O 0.53177866519238 0.29874776941577 0.39590845235998 15.999 15 O 0.29874776941577 0.53177866519238 0.89590845235997 15.999 16 O 0.46822133480762 0.70125223058423 0.60409154764003 15.999 *17 Rb 0.88316841956044 0.11683158043956 0.25000000000000 85.468 18 Rb 0.11683158043956 0.88316841956044 0.75000000000000 85.468 *19 Sm 0.40417398559911 0.59582601440089 0.25000000000000 150.360 20 Sm 0.59582601440089 0.40417398559911 0.75000000000000 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.716855520004705 0.000000000000000 0.000000000000000 b 0.000000000000000 9.627239150000001 0.000000000000000 c -2.507263857388557 0.000000000000000 6.689284905967483 Atomic positions (fractional): *1 C 0.72728412595914 0.12348332720839 0.75057761105621 12.011 > 1 2 C 0.27271587404086 0.12348332720839 0.74942238894379 12.011 > 2 3 C 0.27271587404086 0.87651667279161 0.24942238894379 12.011 > 3 4 C 0.72728412595914 0.87651667279161 0.25057761105621 12.011 > 4 5 C 0.22728412595914 0.62348332720839 0.75057761105621 12.011 > 1 6 C 0.77271587404086 0.62348332720839 0.74942238894379 12.011 > 2 7 C 0.77271587404086 0.37651667279161 0.24942238894379 12.011 > 3 8 C 0.22728412595914 0.37651667279161 0.25057761105621 12.011 > 4 *9 O 0.32434775176721 0.27464276076959 0.26621322508671 15.999 > 5 10 O 0.67565224823279 0.27464276076959 0.23378677491329 15.999 > 6 11 O 0.67565224823279 0.72535723923041 0.73378677491329 15.999 > 7 12 O 0.32434775176721 0.72535723923041 0.76621322508671 15.999 > 8 *13 O 0.76013924720972 0.97655931572935 0.37912607211875 15.999 > 9 14 O 0.23986075279028 0.97655931572935 0.12087392788125 15.999 > 10 15 O 0.23986075279028 0.02344068427065 0.62087392788125 15.999 > 11 16 O 0.76013924720972 0.02344068427065 0.87912607211875 15.999 > 12 *17 O 0.58473678269593 0.88348455211169 0.10409154764002 15.999 > 13 18 O 0.41526321730407 0.88348455211169 0.39590845235998 15.999 > 14 19 O 0.41526321730407 0.11651544788831 0.89590845235997 15.999 > 15 20 O 0.58473678269593 0.11651544788831 0.60409154764003 15.999 > 16 21 O 0.82434775176721 0.77464276076959 0.26621322508671 15.999 > 5 22 O 0.17565224823278 0.77464276076959 0.23378677491329 15.999 > 6 23 O 0.17565224823278 0.22535723923041 0.73378677491329 15.999 > 7 24 O 0.82434775176721 0.22535723923041 0.76621322508671 15.999 > 8 25 O 0.26013924720972 0.47655931572935 0.37912607211875 15.999 > 9 26 O 0.73986075279028 0.47655931572935 0.12087392788125 15.999 > 10 27 O 0.73986075279028 0.52344068427065 0.62087392788125 15.999 > 11 28 O 0.26013924720972 0.52344068427065 0.87912607211875 15.999 > 12 29 O 0.08473678269593 0.38348455211169 0.10409154764002 15.999 > 13 30 O 0.91526321730407 0.38348455211169 0.39590845235998 15.999 > 14 31 O 0.91526321730407 0.61651544788831 0.89590845235997 15.999 > 15 32 O 0.08473678269593 0.61651544788831 0.60409154764003 15.999 > 16 *33 Rb 0.50000000000000 0.61683158043956 0.25000000000000 85.468 > 17 34 Rb 0.50000000000000 0.38316841956044 0.75000000000000 85.468 > 18 35 Rb 0.00000000000000 0.11683158043956 0.25000000000000 85.468 > 17 36 Rb 0.00000000000000 0.88316841956044 0.75000000000000 85.468 > 18 *37 Sm 0.50000000000000 0.09582601440089 0.25000000000000 150.360 > 19 38 Sm 0.50000000000000 0.90417398559911 0.75000000000000 150.360 > 20 39 Sm 0.00000000000000 0.59582601440089 0.25000000000000 150.360 > 19 40 Sm 0.00000000000000 0.40417398559911 0.75000000000000 150.360 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.716855520004705 0.000000000000000 0.000000000000000 b 0.000000000000000 9.627239150000001 0.000000000000000 c -5.014527714777114 0.000000000000000 13.378569811934966 Atomic positions (fractional): *1 C 0.72728412595914 0.12348332720839 0.37528880552810 12.011 > 1 2 C 0.72728412595914 0.12348332720839 0.87528880552810 12.011 > 1 3 C 0.27271587404086 0.12348332720839 0.37471119447190 12.011 > 2 4 C 0.27271587404086 0.12348332720839 0.87471119447190 12.011 > 2 5 C 0.27271587404086 0.87651667279161 0.12471119447190 12.011 > 3 6 C 0.27271587404086 0.87651667279161 0.62471119447190 12.011 > 3 7 C 0.72728412595914 0.87651667279161 0.12528880552810 12.011 > 4 8 C 0.72728412595914 0.87651667279161 0.62528880552810 12.011 > 4 9 C 0.22728412595914 0.62348332720839 0.37528880552810 12.011 > 1 10 C 0.22728412595914 0.62348332720839 0.87528880552810 12.011 > 1 11 C 0.77271587404086 0.62348332720839 0.37471119447190 12.011 > 2 12 C 0.77271587404086 0.62348332720839 0.87471119447190 12.011 > 2 13 C 0.77271587404086 0.37651667279161 0.12471119447190 12.011 > 3 14 C 0.77271587404086 0.37651667279161 0.62471119447190 12.011 > 3 15 C 0.22728412595914 0.37651667279161 0.12528880552810 12.011 > 4 16 C 0.22728412595914 0.37651667279161 0.62528880552810 12.011 > 4 *17 O 0.32434775176721 0.27464276076959 0.13310661254336 15.999 > 5 18 O 0.32434775176721 0.27464276076959 0.63310661254336 15.999 > 5 19 O 0.67565224823279 0.27464276076959 0.11689338745664 15.999 > 6 20 O 0.67565224823279 0.27464276076959 0.61689338745664 15.999 > 6 21 O 0.67565224823279 0.72535723923041 0.36689338745664 15.999 > 7 22 O 0.67565224823279 0.72535723923041 0.86689338745664 15.999 > 7 23 O 0.32434775176721 0.72535723923041 0.38310661254336 15.999 > 8 24 O 0.32434775176721 0.72535723923041 0.88310661254336 15.999 > 8 *25 O 0.76013924720972 0.97655931572935 0.18956303605938 15.999 > 9 26 O 0.76013924720972 0.97655931572935 0.68956303605938 15.999 > 9 27 O 0.23986075279028 0.97655931572935 0.06043696394062 15.999 > 10 28 O 0.23986075279028 0.97655931572935 0.56043696394062 15.999 > 10 29 O 0.23986075279028 0.02344068427065 0.31043696394062 15.999 > 11 30 O 0.23986075279028 0.02344068427065 0.81043696394062 15.999 > 11 31 O 0.76013924720972 0.02344068427065 0.43956303605938 15.999 > 12 32 O 0.76013924720972 0.02344068427065 0.93956303605938 15.999 > 12 *33 O 0.58473678269593 0.88348455211169 0.05204577382001 15.999 > 13 34 O 0.58473678269593 0.88348455211169 0.55204577382001 15.999 > 13 35 O 0.41526321730407 0.88348455211169 0.19795422617999 15.999 > 14 36 O 0.41526321730407 0.88348455211169 0.69795422617999 15.999 > 14 37 O 0.41526321730407 0.11651544788831 0.44795422617999 15.999 > 15 38 O 0.41526321730407 0.11651544788831 0.94795422617999 15.999 > 15 39 O 0.58473678269593 0.11651544788831 0.30204577382001 15.999 > 16 40 O 0.58473678269593 0.11651544788831 0.80204577382001 15.999 > 16 41 O 0.82434775176721 0.77464276076959 0.13310661254336 15.999 > 5 42 O 0.82434775176721 0.77464276076959 0.63310661254336 15.999 > 5 43 O 0.17565224823278 0.77464276076959 0.11689338745664 15.999 > 6 44 O 0.17565224823278 0.77464276076959 0.61689338745664 15.999 > 6 45 O 0.17565224823278 0.22535723923041 0.36689338745664 15.999 > 7 46 O 0.17565224823278 0.22535723923041 0.86689338745664 15.999 > 7 47 O 0.82434775176721 0.22535723923041 0.38310661254336 15.999 > 8 48 O 0.82434775176721 0.22535723923041 0.88310661254336 15.999 > 8 49 O 0.26013924720972 0.47655931572935 0.18956303605938 15.999 > 9 50 O 0.26013924720972 0.47655931572935 0.68956303605938 15.999 > 9 51 O 0.73986075279028 0.47655931572935 0.06043696394062 15.999 > 10 52 O 0.73986075279028 0.47655931572935 0.56043696394062 15.999 > 10 53 O 0.73986075279028 0.52344068427065 0.31043696394062 15.999 > 11 54 O 0.73986075279028 0.52344068427065 0.81043696394062 15.999 > 11 55 O 0.26013924720972 0.52344068427065 0.43956303605938 15.999 > 12 56 O 0.26013924720972 0.52344068427065 0.93956303605938 15.999 > 12 57 O 0.08473678269593 0.38348455211169 0.05204577382001 15.999 > 13 58 O 0.08473678269593 0.38348455211169 0.55204577382001 15.999 > 13 59 O 0.91526321730407 0.38348455211169 0.19795422617999 15.999 > 14 60 O 0.91526321730407 0.38348455211169 0.69795422617999 15.999 > 14 61 O 0.91526321730407 0.61651544788831 0.44795422617999 15.999 > 15 62 O 0.91526321730407 0.61651544788831 0.94795422617999 15.999 > 15 63 O 0.08473678269593 0.61651544788831 0.30204577382001 15.999 > 16 64 O 0.08473678269593 0.61651544788831 0.80204577382001 15.999 > 16 *65 Rb 0.50000000000000 0.61683158043956 0.12500000000000 85.468 > 17 66 Rb 0.50000000000000 0.61683158043956 0.62500000000000 85.468 > 17 67 Rb 0.50000000000000 0.38316841956044 0.37500000000000 85.468 > 18 68 Rb 0.50000000000000 0.38316841956044 0.87500000000000 85.468 > 18 69 Rb 0.00000000000000 0.11683158043956 0.12500000000000 85.468 > 17 70 Rb 0.00000000000000 0.11683158043956 0.62500000000000 85.468 > 17 71 Rb 0.00000000000000 0.88316841956044 0.37500000000000 85.468 > 18 72 Rb 0.00000000000000 0.88316841956044 0.87500000000000 85.468 > 18 *73 Sm 0.50000000000000 0.09582601440089 0.12500000000000 150.360 > 19 74 Sm 0.50000000000000 0.09582601440089 0.62500000000000 150.360 > 19 75 Sm 0.50000000000000 0.90417398559911 0.37500000000000 150.360 > 20 76 Sm 0.50000000000000 0.90417398559911 0.87500000000000 150.360 > 20 77 Sm 0.00000000000000 0.59582601440089 0.12500000000000 150.360 > 19 78 Sm 0.00000000000000 0.59582601440089 0.62500000000000 150.360 > 19 79 Sm 0.00000000000000 0.40417398559911 0.37500000000000 150.360 > 20 80 Sm 0.00000000000000 0.40417398559911 0.87500000000000 150.360 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8675783 0.0000000 0.2000795 0.0000000 3.0265117 0.0000000 0.2000792 0.0000000 2.7636967 -------------------------- Born effective charges -------------------------- 1 C 2.0761739 1.3893247 0.9276767 1.3405358 2.7483969 -0.5383227 1.1933969 -0.4562467 2.1015687 2 C 2.0761739 -1.3893247 0.9276767 -1.3405358 2.7483969 0.5383227 1.1933969 0.4562467 2.1015687 3 C 2.0761739 1.3893247 0.9276767 1.3405358 2.7483969 -0.5383227 1.1933969 -0.4562467 2.1015687 4 C 2.0761739 -1.3893247 0.9276767 -1.3405358 2.7483969 0.5383227 1.1933969 0.4562467 2.1015687 5 O -1.9892533 1.4747317 -0.1623397 1.4330483 -2.4987015 0.0153154 -0.2887138 0.1616738 -0.8472919 6 O -1.9892533 -1.4747317 -0.1623397 -1.4330483 -2.4987015 -0.0153154 -0.2887138 -0.1616738 -0.8472919 7 O -1.9892533 1.4747317 -0.1623397 1.4330483 -2.4987015 0.0153154 -0.2887138 0.1616738 -0.8472919 8 O -1.9892533 -1.4747317 -0.1623397 -1.4330483 -2.4987015 -0.0153154 -0.2887138 -0.1616738 -0.8472919 9 O -1.2760689 0.4785634 -0.1512761 0.4457259 -1.8111641 -0.5102563 -0.2107227 -0.5194739 -1.4413143 10 O -1.2760689 -0.4785634 -0.1512761 -0.4457259 -1.8111641 0.5102563 -0.2107227 0.5194739 -1.4413143 11 O -1.2760689 0.4785634 -0.1512761 0.4457259 -1.8111641 -0.5102563 -0.2107227 -0.5194739 -1.4413143 12 O -1.2760689 -0.4785634 -0.1512761 -0.4457259 -1.8111641 0.5102563 -0.2107227 0.5194739 -1.4413143 13 O -1.5533026 0.3806378 -0.7101189 0.3792849 -1.2591626 0.0637210 -0.6323010 0.0194037 -2.3568838 14 O -1.5533026 -0.3806378 -0.7101189 -0.3792849 -1.2591626 -0.0637210 -0.6323010 -0.0194037 -2.3568838 15 O -1.5533026 0.3806378 -0.7101189 0.3792849 -1.2591626 0.0637210 -0.6323010 0.0194037 -2.3568838 16 O -1.5533026 -0.3806378 -0.7101189 -0.3792849 -1.2591626 -0.0637210 -0.6323010 -0.0194037 -2.3568838 17 Rb 1.2791279 0.0000000 0.0299419 0.0000000 1.2103761 0.0000000 0.0847228 0.0000000 1.2538705 18 Rb 1.2791279 0.0000000 0.0299419 0.0000000 1.2103761 0.0000000 0.0847228 0.0000000 1.2538705 19 Sm 4.2057741 0.0000000 0.1621741 0.0000000 4.4308863 0.0000000 -0.2080418 0.0000000 3.8339719 20 Sm 4.2057741 0.0000000 0.1621741 0.0000000 4.4308863 0.0000000 -0.2080418 0.0000000 3.8339719 ---------------------------------------------------------------------------- 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: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1849), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 397), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.197 Solver_block: 200 / 640 - Time: 2.197 Solver_block: 300 / 640 - Time: 2.197 Solver_block: 400 / 640 - Time: 2.202 Solver_block: 500 / 640 - Time: 2.202 Solver_block: 600 / 640 - Time: 2.188 Solver_block: 640 / 640 - Time: 0.941 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.170 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1849), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 397), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:35:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:35:38]------------------------- 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): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.358427760002352 -4.813619575000001 0.000000000000000 b 4.358427760002352 4.813619575000001 0.000000000000000 c -2.507263857388557 0.000000000000000 6.689284905967483 Atomic positions (fractional): 1 C 0.60380079875075 0.85076745316753 0.75057761105621 12.011 2 C 0.14923254683247 0.39619920124925 0.74942238894379 12.011 3 C 0.39619920124925 0.14923254683247 0.24942238894379 12.011 4 C 0.85076745316753 0.60380079875075 0.25057761105621 12.011 5 O 0.04970499099762 0.59899051253681 0.26621322508671 15.999 6 O 0.40100948746319 0.95029500900238 0.23378677491329 15.999 7 O 0.95029500900238 0.40100948746319 0.73378677491329 15.999 8 O 0.59899051253681 0.04970499099762 0.76621322508671 15.999 9 O 0.78357993148037 0.73669856293906 0.37912607211875 15.999 10 O 0.26330143706094 0.21642006851963 0.12087392788125 15.999 11 O 0.21642006851963 0.26330143706094 0.62087392788125 15.999 12 O 0.73669856293906 0.78357993148037 0.87912607211875 15.999 13 O 0.70125223058423 0.46822133480762 0.10409154764002 15.999 14 O 0.53177866519238 0.29874776941577 0.39590845235998 15.999 15 O 0.29874776941577 0.53177866519238 0.89590845235997 15.999 16 O 0.46822133480762 0.70125223058423 0.60409154764003 15.999 17 Rb 0.88316841956044 0.11683158043956 0.25000000000000 85.468 18 Rb 0.11683158043956 0.88316841956044 0.75000000000000 85.468 19 Sm 0.40417398559911 0.59582601440089 0.25000000000000 150.360 20 Sm 0.59582601440089 0.40417398559911 0.75000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.716855520004705 0.000000000000000 0.000000000000000 b 0.000000000000000 9.627239150000001 0.000000000000000 c -5.014527714777114 0.000000000000000 13.378569811934966 Atomic positions (fractional): 1 C 0.72728412595914 0.12348332720839 0.37528880552810 12.011 > 1 2 C 0.72728412595914 0.12348332720839 0.87528880552810 12.011 > 1 3 C 0.27271587404086 0.12348332720839 0.37471119447190 12.011 > 3 4 C 0.27271587404086 0.12348332720839 0.87471119447190 12.011 > 3 5 C 0.27271587404086 0.87651667279161 0.12471119447190 12.011 > 5 6 C 0.27271587404086 0.87651667279161 0.62471119447190 12.011 > 5 7 C 0.72728412595914 0.87651667279161 0.12528880552810 12.011 > 7 8 C 0.72728412595914 0.87651667279161 0.62528880552810 12.011 > 7 9 C 0.22728412595914 0.62348332720839 0.37528880552810 12.011 > 1 10 C 0.22728412595914 0.62348332720839 0.87528880552810 12.011 > 1 11 C 0.77271587404086 0.62348332720839 0.37471119447190 12.011 > 3 12 C 0.77271587404086 0.62348332720839 0.87471119447190 12.011 > 3 13 C 0.77271587404086 0.37651667279161 0.12471119447190 12.011 > 5 14 C 0.77271587404086 0.37651667279161 0.62471119447190 12.011 > 5 15 C 0.22728412595914 0.37651667279161 0.12528880552810 12.011 > 7 16 C 0.22728412595914 0.37651667279161 0.62528880552810 12.011 > 7 17 O 0.32434775176721 0.27464276076959 0.13310661254336 15.999 > 17 18 O 0.32434775176721 0.27464276076959 0.63310661254336 15.999 > 17 19 O 0.67565224823279 0.27464276076959 0.11689338745664 15.999 > 19 20 O 0.67565224823279 0.27464276076959 0.61689338745664 15.999 > 19 21 O 0.67565224823279 0.72535723923041 0.36689338745664 15.999 > 21 22 O 0.67565224823279 0.72535723923041 0.86689338745664 15.999 > 21 23 O 0.32434775176721 0.72535723923041 0.38310661254336 15.999 > 23 24 O 0.32434775176721 0.72535723923041 0.88310661254336 15.999 > 23 25 O 0.76013924720972 0.97655931572935 0.18956303605938 15.999 > 25 26 O 0.76013924720972 0.97655931572935 0.68956303605938 15.999 > 25 27 O 0.23986075279028 0.97655931572935 0.06043696394062 15.999 > 27 28 O 0.23986075279028 0.97655931572935 0.56043696394062 15.999 > 27 29 O 0.23986075279028 0.02344068427065 0.31043696394062 15.999 > 29 30 O 0.23986075279028 0.02344068427065 0.81043696394062 15.999 > 29 31 O 0.76013924720972 0.02344068427065 0.43956303605938 15.999 > 31 32 O 0.76013924720972 0.02344068427065 0.93956303605938 15.999 > 31 33 O 0.58473678269593 0.88348455211169 0.05204577382001 15.999 > 33 34 O 0.58473678269593 0.88348455211169 0.55204577382001 15.999 > 33 35 O 0.41526321730407 0.88348455211169 0.19795422617999 15.999 > 35 36 O 0.41526321730407 0.88348455211169 0.69795422617999 15.999 > 35 37 O 0.41526321730407 0.11651544788831 0.44795422617999 15.999 > 37 38 O 0.41526321730407 0.11651544788831 0.94795422617999 15.999 > 37 39 O 0.58473678269593 0.11651544788831 0.30204577382001 15.999 > 39 40 O 0.58473678269593 0.11651544788831 0.80204577382001 15.999 > 39 41 O 0.82434775176721 0.77464276076959 0.13310661254336 15.999 > 17 42 O 0.82434775176721 0.77464276076959 0.63310661254336 15.999 > 17 43 O 0.17565224823278 0.77464276076959 0.11689338745664 15.999 > 19 44 O 0.17565224823278 0.77464276076959 0.61689338745664 15.999 > 19 45 O 0.17565224823278 0.22535723923041 0.36689338745664 15.999 > 21 46 O 0.17565224823278 0.22535723923041 0.86689338745664 15.999 > 21 47 O 0.82434775176721 0.22535723923041 0.38310661254336 15.999 > 23 48 O 0.82434775176721 0.22535723923041 0.88310661254336 15.999 > 23 49 O 0.26013924720972 0.47655931572935 0.18956303605938 15.999 > 25 50 O 0.26013924720972 0.47655931572935 0.68956303605938 15.999 > 25 51 O 0.73986075279028 0.47655931572935 0.06043696394062 15.999 > 27 52 O 0.73986075279028 0.47655931572935 0.56043696394062 15.999 > 27 53 O 0.73986075279028 0.52344068427065 0.31043696394062 15.999 > 29 54 O 0.73986075279028 0.52344068427065 0.81043696394062 15.999 > 29 55 O 0.26013924720972 0.52344068427065 0.43956303605938 15.999 > 31 56 O 0.26013924720972 0.52344068427065 0.93956303605938 15.999 > 31 57 O 0.08473678269593 0.38348455211169 0.05204577382001 15.999 > 33 58 O 0.08473678269593 0.38348455211169 0.55204577382001 15.999 > 33 59 O 0.91526321730407 0.38348455211169 0.19795422617999 15.999 > 35 60 O 0.91526321730407 0.38348455211169 0.69795422617999 15.999 > 35 61 O 0.91526321730407 0.61651544788831 0.44795422617999 15.999 > 37 62 O 0.91526321730407 0.61651544788831 0.94795422617999 15.999 > 37 63 O 0.08473678269593 0.61651544788831 0.30204577382001 15.999 > 39 64 O 0.08473678269593 0.61651544788831 0.80204577382001 15.999 > 39 65 Rb 0.50000000000000 0.61683158043956 0.12500000000000 85.468 > 65 66 Rb 0.50000000000000 0.61683158043956 0.62500000000000 85.468 > 65 67 Rb 0.50000000000000 0.38316841956044 0.37500000000000 85.468 > 67 68 Rb 0.50000000000000 0.38316841956044 0.87500000000000 85.468 > 67 69 Rb 0.00000000000000 0.11683158043956 0.12500000000000 85.468 > 65 70 Rb 0.00000000000000 0.11683158043956 0.62500000000000 85.468 > 65 71 Rb 0.00000000000000 0.88316841956044 0.37500000000000 85.468 > 67 72 Rb 0.00000000000000 0.88316841956044 0.87500000000000 85.468 > 67 73 Sm 0.50000000000000 0.09582601440089 0.12500000000000 150.360 > 73 74 Sm 0.50000000000000 0.09582601440089 0.62500000000000 150.360 > 73 75 Sm 0.50000000000000 0.90417398559911 0.37500000000000 150.360 > 75 76 Sm 0.50000000000000 0.90417398559911 0.87500000000000 150.360 > 75 77 Sm 0.00000000000000 0.59582601440089 0.12500000000000 150.360 > 73 78 Sm 0.00000000000000 0.59582601440089 0.62500000000000 150.360 > 73 79 Sm 0.00000000000000 0.40417398559911 0.37500000000000 150.360 > 75 80 Sm 0.00000000000000 0.40417398559911 0.87500000000000 150.360 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8675783 0.0000000 0.2000795 0.0000000 3.0265117 0.0000000 0.2000792 0.0000000 2.7636967 -------------------------- Born effective charges -------------------------- 1 C 2.0761739 1.3893247 0.9276767 1.3405358 2.7483969 -0.5383227 1.1933969 -0.4562467 2.1015687 2 C 2.0761739 -1.3893247 0.9276767 -1.3405358 2.7483969 0.5383227 1.1933969 0.4562467 2.1015687 3 C 2.0761739 1.3893247 0.9276767 1.3405358 2.7483969 -0.5383227 1.1933969 -0.4562467 2.1015687 4 C 2.0761739 -1.3893247 0.9276767 -1.3405358 2.7483969 0.5383227 1.1933969 0.4562467 2.1015687 5 O -1.9892533 1.4747317 -0.1623397 1.4330483 -2.4987015 0.0153154 -0.2887138 0.1616738 -0.8472919 6 O -1.9892533 -1.4747317 -0.1623397 -1.4330483 -2.4987015 -0.0153154 -0.2887138 -0.1616738 -0.8472919 7 O -1.9892533 1.4747317 -0.1623397 1.4330483 -2.4987015 0.0153154 -0.2887138 0.1616738 -0.8472919 8 O -1.9892533 -1.4747317 -0.1623397 -1.4330483 -2.4987015 -0.0153154 -0.2887138 -0.1616738 -0.8472919 9 O -1.2760689 0.4785634 -0.1512761 0.4457259 -1.8111641 -0.5102563 -0.2107227 -0.5194739 -1.4413143 10 O -1.2760689 -0.4785634 -0.1512761 -0.4457259 -1.8111641 0.5102563 -0.2107227 0.5194739 -1.4413143 11 O -1.2760689 0.4785634 -0.1512761 0.4457259 -1.8111641 -0.5102563 -0.2107227 -0.5194739 -1.4413143 12 O -1.2760689 -0.4785634 -0.1512761 -0.4457259 -1.8111641 0.5102563 -0.2107227 0.5194739 -1.4413143 13 O -1.5533026 0.3806378 -0.7101189 0.3792849 -1.2591626 0.0637210 -0.6323010 0.0194037 -2.3568838 14 O -1.5533026 -0.3806378 -0.7101189 -0.3792849 -1.2591626 -0.0637210 -0.6323010 -0.0194037 -2.3568838 15 O -1.5533026 0.3806378 -0.7101189 0.3792849 -1.2591626 0.0637210 -0.6323010 0.0194037 -2.3568838 16 O -1.5533026 -0.3806378 -0.7101189 -0.3792849 -1.2591626 -0.0637210 -0.6323010 -0.0194037 -2.3568838 17 Rb 1.2791279 0.0000000 0.0299419 0.0000000 1.2103761 0.0000000 0.0847228 0.0000000 1.2538705 18 Rb 1.2791279 0.0000000 0.0299419 0.0000000 1.2103761 0.0000000 0.0847228 0.0000000 1.2538705 19 Sm 4.2057741 0.0000000 0.1621741 0.0000000 4.4308863 0.0000000 -0.2080418 0.0000000 3.8339719 20 Sm 4.2057741 0.0000000 0.1621741 0.0000000 4.4308863 0.0000000 -0.2080418 0.0000000 3.8339719 ---------------------------------------------------------------------------- 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 25, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000013 (xxx) -0.00000013 (xxx) -0.00000013 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xz) -0.00000004 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:35:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:35:53]------------------------- 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): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.358427760002352 -4.813619575000001 0.000000000000000 b 4.358427760002352 4.813619575000001 0.000000000000000 c -2.507263857388557 0.000000000000000 6.689284905967483 Atomic positions (fractional): 1 C 0.60380079875075 0.85076745316753 0.75057761105621 12.011 2 C 0.14923254683247 0.39619920124925 0.74942238894379 12.011 3 C 0.39619920124925 0.14923254683247 0.24942238894379 12.011 4 C 0.85076745316753 0.60380079875075 0.25057761105621 12.011 5 O 0.04970499099762 0.59899051253681 0.26621322508671 15.999 6 O 0.40100948746319 0.95029500900238 0.23378677491329 15.999 7 O 0.95029500900238 0.40100948746319 0.73378677491329 15.999 8 O 0.59899051253681 0.04970499099762 0.76621322508671 15.999 9 O 0.78357993148037 0.73669856293906 0.37912607211875 15.999 10 O 0.26330143706094 0.21642006851963 0.12087392788125 15.999 11 O 0.21642006851963 0.26330143706094 0.62087392788125 15.999 12 O 0.73669856293906 0.78357993148037 0.87912607211875 15.999 13 O 0.70125223058423 0.46822133480762 0.10409154764002 15.999 14 O 0.53177866519238 0.29874776941577 0.39590845235998 15.999 15 O 0.29874776941577 0.53177866519238 0.89590845235997 15.999 16 O 0.46822133480762 0.70125223058423 0.60409154764003 15.999 17 Rb 0.88316841956044 0.11683158043956 0.25000000000000 85.468 18 Rb 0.11683158043956 0.88316841956044 0.75000000000000 85.468 19 Sm 0.40417398559911 0.59582601440089 0.25000000000000 150.360 20 Sm 0.59582601440089 0.40417398559911 0.75000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.716855520004705 0.000000000000000 0.000000000000000 b 0.000000000000000 9.627239150000001 0.000000000000000 c -5.014527714777114 0.000000000000000 13.378569811934966 Atomic positions (fractional): 1 C 0.72728412595914 0.12348332720839 0.37528880552810 12.011 > 1 2 C 0.72728412595914 0.12348332720839 0.87528880552810 12.011 > 1 3 C 0.27271587404086 0.12348332720839 0.37471119447190 12.011 > 3 4 C 0.27271587404086 0.12348332720839 0.87471119447190 12.011 > 3 5 C 0.27271587404086 0.87651667279161 0.12471119447190 12.011 > 5 6 C 0.27271587404086 0.87651667279161 0.62471119447190 12.011 > 5 7 C 0.72728412595914 0.87651667279161 0.12528880552810 12.011 > 7 8 C 0.72728412595914 0.87651667279161 0.62528880552810 12.011 > 7 9 C 0.22728412595914 0.62348332720839 0.37528880552810 12.011 > 1 10 C 0.22728412595914 0.62348332720839 0.87528880552810 12.011 > 1 11 C 0.77271587404086 0.62348332720839 0.37471119447190 12.011 > 3 12 C 0.77271587404086 0.62348332720839 0.87471119447190 12.011 > 3 13 C 0.77271587404086 0.37651667279161 0.12471119447190 12.011 > 5 14 C 0.77271587404086 0.37651667279161 0.62471119447190 12.011 > 5 15 C 0.22728412595914 0.37651667279161 0.12528880552810 12.011 > 7 16 C 0.22728412595914 0.37651667279161 0.62528880552810 12.011 > 7 17 O 0.32434775176721 0.27464276076959 0.13310661254336 15.999 > 17 18 O 0.32434775176721 0.27464276076959 0.63310661254336 15.999 > 17 19 O 0.67565224823279 0.27464276076959 0.11689338745664 15.999 > 19 20 O 0.67565224823279 0.27464276076959 0.61689338745664 15.999 > 19 21 O 0.67565224823279 0.72535723923041 0.36689338745664 15.999 > 21 22 O 0.67565224823279 0.72535723923041 0.86689338745664 15.999 > 21 23 O 0.32434775176721 0.72535723923041 0.38310661254336 15.999 > 23 24 O 0.32434775176721 0.72535723923041 0.88310661254336 15.999 > 23 25 O 0.76013924720972 0.97655931572935 0.18956303605938 15.999 > 25 26 O 0.76013924720972 0.97655931572935 0.68956303605938 15.999 > 25 27 O 0.23986075279028 0.97655931572935 0.06043696394062 15.999 > 27 28 O 0.23986075279028 0.97655931572935 0.56043696394062 15.999 > 27 29 O 0.23986075279028 0.02344068427065 0.31043696394062 15.999 > 29 30 O 0.23986075279028 0.02344068427065 0.81043696394062 15.999 > 29 31 O 0.76013924720972 0.02344068427065 0.43956303605938 15.999 > 31 32 O 0.76013924720972 0.02344068427065 0.93956303605938 15.999 > 31 33 O 0.58473678269593 0.88348455211169 0.05204577382001 15.999 > 33 34 O 0.58473678269593 0.88348455211169 0.55204577382001 15.999 > 33 35 O 0.41526321730407 0.88348455211169 0.19795422617999 15.999 > 35 36 O 0.41526321730407 0.88348455211169 0.69795422617999 15.999 > 35 37 O 0.41526321730407 0.11651544788831 0.44795422617999 15.999 > 37 38 O 0.41526321730407 0.11651544788831 0.94795422617999 15.999 > 37 39 O 0.58473678269593 0.11651544788831 0.30204577382001 15.999 > 39 40 O 0.58473678269593 0.11651544788831 0.80204577382001 15.999 > 39 41 O 0.82434775176721 0.77464276076959 0.13310661254336 15.999 > 17 42 O 0.82434775176721 0.77464276076959 0.63310661254336 15.999 > 17 43 O 0.17565224823278 0.77464276076959 0.11689338745664 15.999 > 19 44 O 0.17565224823278 0.77464276076959 0.61689338745664 15.999 > 19 45 O 0.17565224823278 0.22535723923041 0.36689338745664 15.999 > 21 46 O 0.17565224823278 0.22535723923041 0.86689338745664 15.999 > 21 47 O 0.82434775176721 0.22535723923041 0.38310661254336 15.999 > 23 48 O 0.82434775176721 0.22535723923041 0.88310661254336 15.999 > 23 49 O 0.26013924720972 0.47655931572935 0.18956303605938 15.999 > 25 50 O 0.26013924720972 0.47655931572935 0.68956303605938 15.999 > 25 51 O 0.73986075279028 0.47655931572935 0.06043696394062 15.999 > 27 52 O 0.73986075279028 0.47655931572935 0.56043696394062 15.999 > 27 53 O 0.73986075279028 0.52344068427065 0.31043696394062 15.999 > 29 54 O 0.73986075279028 0.52344068427065 0.81043696394062 15.999 > 29 55 O 0.26013924720972 0.52344068427065 0.43956303605938 15.999 > 31 56 O 0.26013924720972 0.52344068427065 0.93956303605938 15.999 > 31 57 O 0.08473678269593 0.38348455211169 0.05204577382001 15.999 > 33 58 O 0.08473678269593 0.38348455211169 0.55204577382001 15.999 > 33 59 O 0.91526321730407 0.38348455211169 0.19795422617999 15.999 > 35 60 O 0.91526321730407 0.38348455211169 0.69795422617999 15.999 > 35 61 O 0.91526321730407 0.61651544788831 0.44795422617999 15.999 > 37 62 O 0.91526321730407 0.61651544788831 0.94795422617999 15.999 > 37 63 O 0.08473678269593 0.61651544788831 0.30204577382001 15.999 > 39 64 O 0.08473678269593 0.61651544788831 0.80204577382001 15.999 > 39 65 Rb 0.50000000000000 0.61683158043956 0.12500000000000 85.468 > 65 66 Rb 0.50000000000000 0.61683158043956 0.62500000000000 85.468 > 65 67 Rb 0.50000000000000 0.38316841956044 0.37500000000000 85.468 > 67 68 Rb 0.50000000000000 0.38316841956044 0.87500000000000 85.468 > 67 69 Rb 0.00000000000000 0.11683158043956 0.12500000000000 85.468 > 65 70 Rb 0.00000000000000 0.11683158043956 0.62500000000000 85.468 > 65 71 Rb 0.00000000000000 0.88316841956044 0.37500000000000 85.468 > 67 72 Rb 0.00000000000000 0.88316841956044 0.87500000000000 85.468 > 67 73 Sm 0.50000000000000 0.09582601440089 0.12500000000000 150.360 > 73 74 Sm 0.50000000000000 0.09582601440089 0.62500000000000 150.360 > 73 75 Sm 0.50000000000000 0.90417398559911 0.37500000000000 150.360 > 75 76 Sm 0.50000000000000 0.90417398559911 0.87500000000000 150.360 > 75 77 Sm 0.00000000000000 0.59582601440089 0.12500000000000 150.360 > 73 78 Sm 0.00000000000000 0.59582601440089 0.62500000000000 150.360 > 73 79 Sm 0.00000000000000 0.40417398559911 0.37500000000000 150.360 > 75 80 Sm 0.00000000000000 0.40417398559911 0.87500000000000 150.360 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8675783 0.0000000 0.2000795 0.0000000 3.0265117 0.0000000 0.2000792 0.0000000 2.7636967 -------------------------- Born effective charges -------------------------- 1 C 2.0761739 1.3893247 0.9276767 1.3405358 2.7483969 -0.5383227 1.1933969 -0.4562467 2.1015687 2 C 2.0761739 -1.3893247 0.9276767 -1.3405358 2.7483969 0.5383227 1.1933969 0.4562467 2.1015687 3 C 2.0761739 1.3893247 0.9276767 1.3405358 2.7483969 -0.5383227 1.1933969 -0.4562467 2.1015687 4 C 2.0761739 -1.3893247 0.9276767 -1.3405358 2.7483969 0.5383227 1.1933969 0.4562467 2.1015687 5 O -1.9892533 1.4747317 -0.1623397 1.4330483 -2.4987015 0.0153154 -0.2887138 0.1616738 -0.8472919 6 O -1.9892533 -1.4747317 -0.1623397 -1.4330483 -2.4987015 -0.0153154 -0.2887138 -0.1616738 -0.8472919 7 O -1.9892533 1.4747317 -0.1623397 1.4330483 -2.4987015 0.0153154 -0.2887138 0.1616738 -0.8472919 8 O -1.9892533 -1.4747317 -0.1623397 -1.4330483 -2.4987015 -0.0153154 -0.2887138 -0.1616738 -0.8472919 9 O -1.2760689 0.4785634 -0.1512761 0.4457259 -1.8111641 -0.5102563 -0.2107227 -0.5194739 -1.4413143 10 O -1.2760689 -0.4785634 -0.1512761 -0.4457259 -1.8111641 0.5102563 -0.2107227 0.5194739 -1.4413143 11 O -1.2760689 0.4785634 -0.1512761 0.4457259 -1.8111641 -0.5102563 -0.2107227 -0.5194739 -1.4413143 12 O -1.2760689 -0.4785634 -0.1512761 -0.4457259 -1.8111641 0.5102563 -0.2107227 0.5194739 -1.4413143 13 O -1.5533026 0.3806378 -0.7101189 0.3792849 -1.2591626 0.0637210 -0.6323010 0.0194037 -2.3568838 14 O -1.5533026 -0.3806378 -0.7101189 -0.3792849 -1.2591626 -0.0637210 -0.6323010 -0.0194037 -2.3568838 15 O -1.5533026 0.3806378 -0.7101189 0.3792849 -1.2591626 0.0637210 -0.6323010 0.0194037 -2.3568838 16 O -1.5533026 -0.3806378 -0.7101189 -0.3792849 -1.2591626 -0.0637210 -0.6323010 -0.0194037 -2.3568838 17 Rb 1.2791279 0.0000000 0.0299419 0.0000000 1.2103761 0.0000000 0.0847228 0.0000000 1.2538705 18 Rb 1.2791279 0.0000000 0.0299419 0.0000000 1.2103761 0.0000000 0.0847228 0.0000000 1.2538705 19 Sm 4.2057741 0.0000000 0.1621741 0.0000000 4.4308863 0.0000000 -0.2080418 0.0000000 3.8339719 20 Sm 4.2057741 0.0000000 0.1621741 0.0000000 4.4308863 0.0000000 -0.2080418 0.0000000 3.8339719 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000013 (xxx) -0.00000013 (xxx) -0.00000013 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 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 1.783 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.205 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 8.337 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 9.391 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 19.010 ( 0.000 0.000 0.000) 0.000 19.139 ( 0.000 0.000 0.000) 0.000 19.196 ( 0.000 0.000 0.000) 0.000 19.351 ( 0.000 0.000 0.000) 0.000 21.517 ( 0.000 0.000 0.000) 0.000 21.540 ( 0.000 0.000 0.000) 0.000 21.786 ( 0.000 0.000 0.000) 0.000 22.019 ( 0.000 0.000 0.000) 0.000 24.427 ( 0.000 0.000 0.000) 0.000 24.458 ( 0.000 0.000 0.000) 0.000 24.460 ( 0.000 0.000 0.000) 0.000 24.519 ( 0.000 0.000 0.000) 0.000 32.266 ( 0.000 0.000 0.000) 0.000 32.321 ( 0.000 0.000 0.000) 0.000 32.334 ( 0.000 0.000 0.000) 0.000 32.538 ( 0.000 0.000 0.000) 0.000 40.168 ( 0.000 0.000 0.000) 0.000 41.348 ( 0.000 0.000 0.000) 0.000 41.667 ( 0.000 0.000 0.000) 0.000 41.766 ( 0.000 0.000 0.000) 0.000 44.934 ( 0.000 0.000 0.000) 0.000 45.162 ( 0.000 0.000 0.000) 0.000 45.193 ( 0.000 0.000 0.000) 0.000 45.262 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 18.259 -9.161 8.983) 22.316 0.557 ( 18.387 -18.199 6.775) 26.743 1.136 ( 31.608 -38.998 4.378) 50.389 1.783 ( -2.728 0.515 0.487) 2.818 1.886 ( 7.231 -2.613 0.228) 7.692 2.071 ( 0.875 -2.428 4.174) 4.908 2.138 ( -0.514 -4.296 -0.102) 4.328 2.548 ( 4.867 -5.901 -3.501) 8.412 2.660 ( 6.323 -6.360 1.927) 9.173 2.872 ( 3.417 -0.470 -2.610) 4.325 2.914 ( 6.790 5.989 -1.497) 9.176 3.159 ( 2.400 -10.669 0.471) 10.946 3.483 ( 5.071 -0.041 -4.006) 6.463 3.675 ( -4.099 0.889 -2.725) 5.002 3.864 ( -1.810 -4.485 0.372) 4.851 4.053 ( -5.474 -5.834 -3.417) 8.700 4.163 ( 1.363 -3.644 -1.320) 4.109 4.232 ( 1.202 1.124 1.900) 2.514 4.406 ( -1.034 -1.219 -1.113) 1.948 4.679 ( 0.445 11.020 14.371) 18.115 5.004 ( 12.709 9.668 -9.906) 18.791 5.193 ( 1.861 -5.610 1.738) 6.161 5.381 ( -0.854 3.861 0.796) 4.034 5.641 ( -2.626 -5.550 2.251) 6.539 6.005 ( 1.144 -0.717 1.143) 1.769 6.248 ( 2.564 -2.634 1.219) 3.873 6.422 ( -2.324 0.104 -0.211) 2.335 6.565 ( -1.636 -5.601 3.120) 6.617 6.939 ( 3.129 -0.240 -23.351) 23.561 7.076 ( 3.688 -0.832 -2.057) 4.304 7.158 ( 3.799 -6.893 -9.475) 12.317 7.967 ( -12.742 -26.288 -14.405) 32.572 8.336 ( 1.383 0.759 -2.008) 2.554 9.336 ( 2.697 7.067 3.868) 8.495 9.580 ( -6.203 5.949 0.780) 8.630 10.132 ( 3.351 7.438 7.279) 10.933 19.024 ( 0.221 -0.864 0.730) 1.152 19.150 ( -0.473 -0.836 -0.182) 0.977 19.198 ( 0.022 -0.354 -0.182) 0.399 19.340 ( -0.230 1.364 0.149) 1.392 21.505 ( -1.447 1.661 -0.185) 2.211 21.535 ( -0.314 0.306 -0.517) 0.678 21.762 ( -1.011 1.857 -0.525) 2.179 22.000 ( -2.836 1.008 -1.066) 3.193 24.436 ( 1.297 0.999 -1.361) 2.129 24.464 ( 0.505 -0.070 0.303) 0.593 24.491 ( -0.479 -1.703 -3.663) 4.068 24.520 ( -0.059 -0.268 -0.296) 0.403 32.299 ( 0.097 0.564 3.531) 3.577 32.323 ( -0.868 -0.552 0.370) 1.093 32.355 ( 1.634 -0.354 0.941) 1.919 32.540 ( 0.333 0.155 0.010) 0.367 41.114 ( 23.377 58.621 71.938) 95.697 41.341 ( 2.652 7.315 6.798) 10.333 41.653 ( -0.114 2.355 2.088) 3.149 41.852 ( -2.808 3.167 8.059) 9.103 44.981 ( -3.488 -8.513 2.709) 9.591 45.166 ( 1.182 0.447 -1.556) 2.005 45.281 ( 12.923 4.272 0.249) 13.613 47.598 ( -42.855 -62.473 -35.803) 83.793 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 13.547 -8.817 6.962) 17.599 1.053 ( 14.375 -15.577 7.259) 22.405 1.602 ( -4.222 -3.300 -0.627) 5.395 1.875 ( -0.344 -6.871 4.721) 8.343 2.000 ( 5.833 -0.637 1.637) 6.091 2.215 ( 14.174 -7.786 0.264) 16.173 2.223 ( 4.889 -0.353 -2.495) 5.500 2.622 ( -0.291 -2.431 1.320) 2.782 2.810 ( 5.807 -2.673 -0.379) 6.404 2.985 ( 1.906 -4.808 -6.622) 8.402 3.101 ( 15.657 -12.306 -0.635) 19.924 3.364 ( 5.362 -8.442 1.206) 10.073 3.530 ( 2.025 -6.267 -2.984) 7.231 3.666 ( 0.117 -5.750 -2.604) 6.314 3.878 ( 0.058 0.113 2.860) 2.863 4.019 ( -2.975 -2.080 -5.550) 6.632 4.202 ( 0.749 -0.664 -2.861) 3.031 4.251 ( -2.094 -3.412 1.867) 4.417 4.453 ( 1.747 -5.832 -0.314) 6.097 4.616 ( 4.133 10.364 5.796) 12.573 5.001 ( 5.041 3.755 -6.204) 8.832 5.286 ( 0.238 -1.239 0.838) 1.515 5.377 ( 2.638 -3.901 2.835) 5.497 5.668 ( -1.525 -0.284 3.181) 3.539 6.050 ( 1.344 -1.557 2.879) 3.538 6.296 ( -0.174 0.626 0.613) 0.893 6.455 ( 3.769 -4.877 0.720) 6.206 6.635 ( 1.703 -3.295 1.195) 3.896 6.850 ( -0.632 2.918 -8.607) 9.110 7.140 ( 4.710 -0.723 -1.283) 4.935 7.270 ( 3.808 -8.914 -8.611) 12.965 8.063 ( -5.561 -15.140 -4.721) 16.806 8.344 ( 3.002 0.244 -2.934) 4.205 9.230 ( -6.550 12.846 4.530) 15.115 9.411 ( -3.651 3.814 -0.733) 5.331 10.120 ( 1.120 3.221 2.347) 4.140 19.048 ( 0.190 -1.630 0.740) 1.800 19.155 ( 0.081 -0.465 -0.141) 0.493 19.204 ( 0.005 -0.863 -0.483) 0.989 19.312 ( -0.347 2.476 0.381) 2.529 21.438 ( -3.459 2.842 -0.267) 4.485 21.516 ( -1.193 0.532 -0.334) 1.348 21.719 ( -0.664 1.976 -0.427) 2.128 21.933 ( -2.346 2.013 -1.105) 3.283 24.435 ( 0.704 0.536 -0.335) 0.946 24.474 ( 0.563 0.058 0.510) 0.761 24.486 ( -0.502 -0.730 -1.697) 1.914 24.521 ( -0.048 -0.445 -0.521) 0.686 32.312 ( -0.210 -0.655 0.903) 1.136 32.323 ( -0.252 -0.286 0.452) 0.591 32.399 ( 2.316 -0.912 1.349) 2.832 32.542 ( 0.295 0.348 -0.161) 0.484 41.068 ( 6.098 20.225 23.750) 31.785 41.299 ( 0.921 7.414 3.975) 8.463 41.642 ( 1.296 4.731 8.405) 9.732 41.803 ( -2.419 0.295 -2.900) 3.788 45.042 ( -4.231 -6.981 1.950) 8.393 45.191 ( 1.893 -0.185 1.604) 2.488 45.458 ( 14.152 -1.003 -0.769) 14.208 47.602 ( -17.531 -26.575 -16.933) 36.059 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 6.547 -6.169 3.137) 9.527 1.435 ( 9.130 -10.474 5.543) 14.959 1.536 ( -5.926 -1.564 1.870) 6.408 1.858 ( -1.594 4.291 -2.418) 5.177 2.128 ( 6.865 -1.786 6.081) 9.343 2.250 ( 1.632 0.588 -1.887) 2.563 2.413 ( 5.965 0.248 -0.685) 6.009 2.705 ( 3.660 -2.694 3.127) 5.517 2.901 ( 4.051 -1.182 -2.238) 4.776 2.919 ( -8.954 -3.577 -10.941) 14.583 3.409 ( 4.751 -1.855 0.627) 5.138 3.517 ( 6.512 -6.314 2.374) 9.376 3.665 ( 1.343 -3.591 4.120) 5.628 3.765 ( 1.988 -9.502 -2.212) 9.957 3.925 ( 3.020 -0.518 0.208) 3.071 3.983 ( -1.027 -1.165 -4.010) 4.300 4.173 ( 0.261 2.092 -1.866) 2.815 4.317 ( 0.607 -7.440 -0.577) 7.487 4.499 ( -2.131 -0.949 2.974) 3.779 4.655 ( 7.197 1.612 -0.838) 7.423 5.001 ( 3.261 0.557 -2.921) 4.414 5.301 ( 1.534 -0.165 0.937) 1.805 5.507 ( 0.633 -7.027 0.947) 7.118 5.643 ( -0.272 2.988 2.306) 3.784 6.095 ( 0.035 -0.639 2.520) 2.600 6.283 ( -0.225 -0.153 0.300) 0.405 6.583 ( 4.159 -1.842 0.500) 4.576 6.718 ( 3.672 -2.883 0.826) 4.741 6.773 ( -1.038 1.086 -3.093) 3.439 7.204 ( 3.328 -0.382 -0.163) 3.354 7.392 ( 3.191 -7.778 -6.477) 10.613 8.105 ( -4.568 -4.793 -2.725) 7.160 8.407 ( 3.991 -4.632 -1.942) 6.415 8.917 ( -10.644 14.864 3.529) 18.620 9.363 ( -0.053 1.407 -0.192) 1.421 10.107 ( 0.251 1.556 1.004) 1.869 19.074 ( 0.066 -1.317 0.757) 1.521 19.161 ( 0.244 -0.318 -0.237) 0.465 19.216 ( -0.035 -1.650 -0.928) 1.893 19.274 ( -0.254 2.996 0.766) 3.103 21.349 ( -2.930 2.470 -0.407) 3.854 21.489 ( -1.188 0.551 -0.143) 1.317 21.693 ( -0.085 1.001 -0.160) 1.017 21.882 ( -1.099 1.166 -0.726) 1.759 24.438 ( 0.440 0.270 0.011) 0.516 24.478 ( -0.124 -0.130 -0.949) 0.966 24.483 ( 0.065 -0.080 0.544) 0.553 24.524 ( -0.002 -0.364 -0.433) 0.566 32.318 ( -0.206 -0.461 -0.154) 0.528 32.327 ( -0.080 -0.176 0.582) 0.613 32.454 ( 2.184 -1.274 1.409) 2.895 32.534 ( -0.339 0.700 -0.565) 0.961 41.028 ( 1.516 7.371 8.303) 11.206 41.234 ( -0.506 4.057 0.641) 4.139 41.652 ( 1.688 5.362 11.027) 12.377 41.754 ( -1.673 -2.133 -7.725) 8.187 45.068 ( -1.909 -3.040 0.529) 3.629 45.225 ( 1.038 0.013 1.877) 2.145 45.659 ( 8.748 -3.055 -0.218) 9.269 47.602 ( -7.219 -11.159 -7.991) 15.508 ======================= Grid point 4 (5/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 -0.000 0.000) 0.000 1.477 ( 0.000 -0.000 -0.000) 0.000 1.672 ( 0.000 -0.000 0.000) 0.000 1.744 ( 0.000 0.000 -0.000) 0.000 2.228 ( 0.000 -0.000 -0.000) 0.000 2.259 ( 0.000 -0.000 -0.000) 0.000 2.446 ( 0.000 -0.000 0.000) 0.000 2.740 ( 0.000 -0.000 -0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 -0.000 0.000) 0.000 3.439 ( 0.000 -0.000 -0.000) 0.000 3.601 ( 0.000 -0.000 -0.000) 0.000 3.701 ( 0.000 -0.000 -0.000) 0.000 3.901 ( 0.000 0.000 -0.000) 0.000 3.907 ( -0.000 -0.000 0.000) 0.000 3.974 ( 0.000 -0.000 0.000) 0.000 4.157 ( 0.000 -0.000 0.000) 0.000 4.383 ( 0.000 -0.000 -0.000) 0.000 4.514 ( 0.000 -0.000 -0.000) 0.000 4.677 ( -0.000 -0.000 0.000) 0.000 5.029 ( -0.000 0.000 -0.000) 0.000 5.326 ( 0.000 -0.000 -0.000) 0.000 5.541 ( 0.000 -0.000 -0.000) 0.000 5.643 ( 0.000 -0.000 0.000) 0.000 6.099 ( 0.000 -0.000 -0.000) 0.000 6.290 ( 0.000 -0.000 -0.000) 0.000 6.611 ( 0.000 -0.000 -0.000) 0.000 6.756 ( 0.000 -0.000 0.000) 0.000 6.786 ( -0.000 -0.000 0.000) 0.000 7.232 ( 0.000 -0.000 0.000) 0.000 7.462 ( 0.000 -0.000 0.000) 0.000 8.074 ( 0.000 -0.000 -0.000) 0.000 8.506 ( 0.000 -0.000 0.000) 0.000 8.700 ( 0.000 -0.000 -0.000) 0.000 9.353 ( 0.000 -0.000 0.000) 0.000 10.101 ( 0.000 -0.000 0.000) 0.000 19.086 ( 0.000 -0.000 0.000) 0.000 19.165 ( 0.000 -0.000 -0.000) 0.000 19.235 ( 0.000 -0.000 -0.000) 0.000 19.243 ( 0.000 0.000 0.000) 0.000 21.308 ( 0.000 -0.000 0.000) 0.000 21.475 ( 0.000 -0.000 -0.000) 0.000 21.686 ( 0.000 -0.000 0.000) 0.000 21.864 ( 0.000 -0.000 -0.000) 0.000 24.440 ( 0.000 -0.000 -0.000) 0.000 24.475 ( 0.000 -0.000 -0.000) 0.000 24.486 ( 0.000 -0.000 -0.000) 0.000 24.525 ( 0.000 -0.000 -0.000) 0.000 32.318 ( 0.000 -0.000 -0.000) 0.000 32.330 ( 0.000 -0.000 0.000) 0.000 32.498 ( 0.000 -0.000 0.000) 0.000 32.511 ( 0.000 -0.000 0.000) 0.000 41.013 ( 0.000 -0.000 0.000) 0.000 41.203 ( 0.000 -0.000 -0.000) 0.000 41.661 ( 0.000 -0.000 0.000) 0.000 41.734 ( 0.000 -0.000 -0.000) 0.000 45.075 ( 0.000 -0.000 -0.000) 0.000 45.238 ( 0.000 -0.000 0.000) 0.000 45.746 ( 0.000 -0.000 0.000) 0.000 47.601 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/129) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 20.472 -0.000 15.104) 25.440 1.022 ( 20.509 -0.000 7.385) 21.798 1.329 ( 34.998 -0.000 -0.524) 35.002 1.754 ( 2.326 -0.000 1.258) 2.644 2.040 ( 6.505 -0.000 4.844) 8.111 2.131 ( 10.119 -0.000 -1.226) 10.193 2.156 ( 7.717 -0.000 4.837) 9.107 2.646 ( 12.528 -0.000 -4.668) 13.369 2.729 ( 8.591 -0.000 -4.969) 9.924 2.895 ( 2.947 -0.000 4.125) 5.069 3.063 ( 1.211 -0.000 1.190) 1.698 3.082 ( 8.803 -0.000 -8.218) 12.042 3.491 ( 0.481 -0.000 -4.470) 4.496 3.548 ( -6.466 0.000 -2.110) 6.802 3.906 ( 5.135 -0.000 2.000) 5.510 3.957 ( -1.790 0.000 -0.574) 1.880 4.125 ( -0.469 0.000 -5.822) 5.840 4.280 ( 2.139 -0.000 1.381) 2.546 4.361 ( -1.826 0.000 -3.062) 3.566 4.768 ( -0.194 0.000 4.608) 4.612 5.173 ( 1.081 -0.000 -4.543) 4.670 5.200 ( 2.299 -0.000 3.340) 4.054 5.459 ( 2.177 -0.000 -0.102) 2.180 5.560 ( 1.518 -0.000 7.029) 7.191 6.035 ( 2.278 -0.000 2.982) 3.752 6.302 ( 5.629 -0.000 2.066) 5.997 6.442 ( -0.372 0.000 2.029) 2.063 6.444 ( -1.089 0.000 -0.782) 1.341 6.904 ( 6.975 -0.000 -20.814) 21.951 7.113 ( 3.656 -0.000 -0.864) 3.757 7.141 ( 6.947 -0.000 -10.465) 12.561 7.770 ( 2.643 -0.000 4.710) 5.401 8.358 ( 3.287 -0.000 -3.754) 4.989 9.392 ( -0.132 0.000 0.760) 0.771 9.490 ( -11.209 0.000 -0.967) 11.251 10.247 ( 1.985 -0.000 -0.766) 2.127 19.026 ( 0.441 -0.000 0.598) 0.743 19.145 ( 0.476 -0.000 -0.465) 0.666 19.191 ( -0.095 0.000 -0.520) 0.528 19.356 ( -0.113 0.000 1.190) 1.195 21.492 ( -3.000 0.000 -0.133) 3.003 21.502 ( -1.819 0.000 -0.139) 1.825 21.743 ( -2.902 0.000 -0.189) 2.908 21.950 ( -4.110 0.000 -0.697) 4.168 24.449 ( -0.472 0.000 -0.398) 0.618 24.464 ( 1.580 -0.000 -3.517) 3.855 24.475 ( 0.736 -0.000 0.787) 1.078 24.515 ( -0.187 0.000 -0.276) 0.334 32.304 ( 0.031 -0.000 -0.369) 0.370 32.320 ( -0.747 0.000 3.152) 3.239 32.381 ( 1.612 -0.000 1.079) 1.940 32.545 ( 0.235 -0.000 -0.167) 0.289 41.254 ( -4.052 0.000 -5.796) 7.072 41.532 ( -7.653 0.000 -1.146) 7.738 41.759 ( 0.494 -0.000 -4.697) 4.723 42.143 ( -27.878 0.000 71.931) 77.144 44.901 ( -2.941 0.000 1.973) 3.542 45.050 ( -5.463 0.000 -6.373) 8.393 45.511 ( 14.073 -0.000 2.032) 14.219 46.969 ( 24.566 -0.000 -21.386) 32.571 ======================= Grid point 11 (7/129) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 14.105 4.517 10.939) 18.412 1.252 ( 13.988 -2.221 8.270) 16.401 1.535 ( -0.674 0.108 -1.455) 1.608 1.949 ( 13.208 4.183 0.905) 13.884 2.179 ( 9.690 1.828 3.093) 10.335 2.252 ( 7.690 0.294 -1.833) 7.911 2.415 ( 19.420 -4.141 3.075) 20.093 2.665 ( 2.818 5.254 -1.827) 6.235 2.851 ( -2.485 -4.303 -9.486) 10.708 2.910 ( 6.558 4.918 -4.371) 9.290 3.224 ( 15.508 -7.368 4.371) 17.717 3.317 ( 6.181 -16.614 3.299) 18.031 3.450 ( 0.722 -0.642 -3.767) 3.889 3.582 ( 3.009 -6.559 -0.664) 7.247 3.931 ( 0.560 1.668 2.200) 2.817 3.957 ( 2.497 0.700 -7.372) 7.815 4.109 ( -2.285 -5.600 -2.755) 6.646 4.262 ( 0.006 3.737 -1.207) 3.927 4.392 ( 1.329 -5.951 -1.723) 6.336 4.778 ( 4.024 3.749 -0.338) 5.510 5.123 ( 2.477 6.184 -1.965) 6.946 5.273 ( 1.731 -3.013 2.430) 4.240 5.442 ( 2.623 4.142 2.482) 5.495 5.670 ( 1.164 -2.186 7.256) 7.667 6.094 ( 3.013 0.781 4.883) 5.791 6.345 ( -0.098 5.375 -0.065) 5.376 6.443 ( 5.164 -6.421 0.804) 8.279 6.565 ( 0.867 -8.573 2.646) 9.014 6.860 ( 1.227 3.556 -8.425) 9.227 7.165 ( 2.663 -1.903 -2.101) 3.889 7.227 ( 9.003 -3.697 -10.967) 14.663 7.889 ( 1.845 -6.667 4.617) 8.317 8.394 ( 5.609 0.775 -4.411) 7.178 9.244 ( -13.232 7.681 -1.069) 15.337 9.395 ( -0.575 0.443 0.169) 0.745 10.233 ( 3.405 5.713 -1.555) 6.830 19.044 ( 0.939 -0.718 0.703) 1.375 19.150 ( 0.412 -0.362 -0.888) 1.044 19.190 ( -0.168 -0.455 -0.331) 0.587 19.347 ( -0.205 2.009 1.402) 2.459 21.422 ( -3.459 2.591 -0.411) 4.342 21.484 ( -2.184 -0.939 0.205) 2.386 21.694 ( -3.698 -0.456 -0.231) 3.733 21.884 ( -4.661 -0.513 -0.520) 4.718 24.440 ( -0.484 -0.076 -0.298) 0.574 24.470 ( 0.719 -0.230 -1.643) 1.808 24.490 ( 0.768 0.340 0.789) 1.152 24.513 ( -0.061 -0.390 -0.384) 0.551 32.308 ( 0.469 -0.189 -0.083) 0.512 32.327 ( -0.044 0.111 1.617) 1.622 32.417 ( 1.542 -1.212 1.128) 2.262 32.542 ( -0.401 0.092 -0.582) 0.713 41.142 ( -5.115 1.317 -6.169) 8.121 41.381 ( -7.412 3.685 -1.680) 8.446 41.731 ( -0.828 -0.092 -5.031) 5.100 41.990 ( -9.674 17.626 38.419) 43.362 44.894 ( -4.968 -5.199 3.427) 7.966 45.022 ( -8.122 -12.289 -5.139) 15.602 45.730 ( 18.496 3.741 0.063) 18.871 47.309 ( 19.428 -8.513 -10.499) 23.667 ======================= Grid point 12 (8/129) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 10.231 4.425 7.351) 13.353 1.488 ( -0.618 -0.775 5.532) 5.620 1.540 ( 8.938 -2.706 2.810) 9.753 1.985 ( 8.363 10.805 -4.529) 14.394 2.246 ( -0.749 -0.040 -3.519) 3.598 2.330 ( 10.995 5.700 3.995) 13.013 2.560 ( 3.041 6.798 -0.070) 7.448 2.706 ( -7.910 0.266 -10.628) 13.251 2.793 ( 12.746 -2.724 5.183) 14.027 2.933 ( 4.777 -0.005 -4.538) 6.589 3.414 ( -2.968 -2.413 0.785) 3.905 3.550 ( 4.400 -5.998 0.778) 7.479 3.597 ( 5.272 -6.122 3.039) 8.632 3.735 ( 4.689 -4.485 0.503) 6.508 3.940 ( 2.110 -0.642 0.605) 2.287 3.978 ( 5.604 -1.743 -7.763) 9.732 4.175 ( 1.072 -3.277 -0.749) 3.528 4.237 ( 2.214 -3.295 0.833) 4.056 4.461 ( -0.962 -3.327 -0.084) 3.465 4.796 ( 7.262 4.580 -4.386) 9.641 5.087 ( 3.457 4.641 -0.272) 5.793 5.331 ( 1.608 -0.128 1.778) 2.401 5.470 ( 0.825 -1.756 2.389) 3.077 5.715 ( 1.735 3.085 6.162) 7.106 6.132 ( 1.317 2.558 4.365) 5.228 6.292 ( 0.098 1.277 -0.774) 1.496 6.602 ( 3.205 -4.735 -0.128) 5.719 6.693 ( 1.922 -4.725 2.813) 5.826 6.781 ( -0.536 2.663 -2.942) 4.004 7.199 ( -0.490 -2.214 -1.937) 2.982 7.371 ( 10.684 -4.668 -8.994) 14.725 8.008 ( 0.380 -4.704 4.911) 6.811 8.461 ( 8.376 0.230 -4.191) 9.369 8.922 ( -13.085 10.081 -0.642) 16.530 9.380 ( 0.046 1.531 -0.064) 1.533 10.196 ( 3.555 6.275 -1.110) 7.297 19.075 ( 1.286 -0.684 0.738) 1.633 19.156 ( 0.286 -0.562 -1.106) 1.273 19.195 ( -0.173 -0.850 -0.178) 0.885 19.317 ( -0.357 2.964 1.390) 3.293 21.341 ( -2.151 2.319 -0.566) 3.213 21.468 ( -1.502 -0.602 0.299) 1.646 21.655 ( -3.799 -2.015 -0.227) 4.307 21.835 ( -3.974 -1.887 0.110) 4.400 24.433 ( -0.679 -0.384 -0.246) 0.818 24.474 ( 0.366 -0.058 -0.455) 0.587 24.493 ( 0.363 0.494 -0.056) 0.615 24.521 ( 0.382 -0.320 0.275) 0.569 32.318 ( 0.525 0.024 0.360) 0.637 32.333 ( 0.437 0.221 0.483) 0.687 32.463 ( 1.133 -1.793 0.947) 2.322 32.522 ( -1.463 0.298 -1.146) 1.883 41.020 ( -5.452 0.379 -6.320) 8.355 41.240 ( -4.870 1.896 -2.462) 5.777 41.672 ( -3.053 0.539 -4.973) 5.860 41.886 ( -1.494 11.057 21.331) 24.073 44.919 ( -6.629 -8.041 4.024) 11.171 45.039 ( -9.400 -13.213 -4.771) 16.903 45.913 ( 17.378 8.659 -1.233) 19.455 47.597 ( 18.556 -0.239 -3.318) 18.852 ======================= Grid point 13 (9/129) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 4.056 9.573 3.993) 11.137 1.506 ( 3.979 0.053 1.300) 4.186 1.722 ( 4.069 -5.151 5.410) 8.506 1.878 ( 7.839 17.307 -7.876) 20.567 2.213 ( -2.626 -1.703 -1.079) 3.311 2.296 ( -0.403 10.653 -4.737) 11.665 2.497 ( -1.990 3.055 0.389) 3.667 2.661 ( 2.133 -2.954 -1.599) 3.979 2.913 ( -1.494 -0.579 0.821) 1.800 3.052 ( 15.374 4.621 4.226) 16.601 3.405 ( -3.251 -2.125 2.487) 4.612 3.592 ( 0.512 1.219 -3.969) 4.184 3.653 ( -1.255 -2.780 -4.345) 5.309 3.824 ( -1.359 -4.573 3.595) 5.973 3.990 ( 2.953 1.468 0.539) 3.341 4.006 ( 2.925 3.405 -1.926) 4.885 4.167 ( 0.749 1.633 -1.722) 2.489 4.364 ( -1.184 -0.167 2.866) 3.106 4.498 ( 1.545 -5.669 3.137) 6.661 4.771 ( 5.184 9.630 -6.222) 12.582 5.075 ( 0.935 4.214 0.808) 4.391 5.335 ( -1.133 1.842 1.461) 2.610 5.526 ( 1.865 -3.338 0.861) 3.919 5.711 ( 1.029 5.832 4.081) 7.192 6.124 ( 0.539 2.315 1.870) 3.024 6.295 ( 0.660 -0.057 -0.380) 0.764 6.604 ( -1.907 1.754 -1.377) 2.934 6.734 ( -3.718 -1.645 -0.072) 4.067 6.785 ( 2.294 0.578 1.384) 2.741 7.185 ( -3.221 -1.569 -2.082) 4.144 7.519 ( 7.793 0.133 -3.151) 8.408 8.090 ( 1.684 -2.649 6.092) 6.853 8.597 ( 10.205 1.409 -2.361) 10.569 8.655 ( -6.557 1.768 -2.047) 7.093 9.358 ( -0.221 1.279 -0.287) 1.329 10.166 ( 3.771 5.354 -1.096) 6.640 19.098 ( 1.298 0.437 -0.151) 1.378 19.161 ( 0.099 -0.385 -0.443) 0.596 19.209 ( 0.131 -1.754 -0.076) 1.760 19.279 ( -0.469 2.941 1.215) 3.217 21.313 ( 0.873 -0.107 -0.175) 0.896 21.466 ( -0.394 -1.045 0.102) 1.121 21.635 ( -3.602 -3.261 -0.020) 4.859 21.821 ( -3.061 -3.245 0.829) 4.537 24.427 ( -0.780 -0.495 -0.220) 0.949 24.476 ( -0.191 -0.082 0.306) 0.371 24.492 ( 0.654 0.392 -0.558) 0.945 24.530 ( 0.340 0.134 0.676) 0.769 32.326 ( 0.439 0.244 0.887) 1.019 32.337 ( 0.735 0.508 -0.482) 1.015 32.480 ( -2.407 0.693 -1.611) 2.978 32.502 ( 0.261 -1.718 0.572) 1.830 40.902 ( -6.701 -1.684 -9.831) 12.016 41.175 ( -2.330 -1.457 -1.785) 3.277 41.599 ( -2.670 -0.159 -3.937) 4.759 41.863 ( 0.413 6.349 12.953) 14.431 44.951 ( -7.326 -8.892 3.843) 12.145 45.042 ( -9.028 -11.884 -5.032) 15.749 45.958 ( 11.354 15.570 -2.072) 19.381 47.829 ( 19.922 6.282 2.953) 21.097 ======================= Grid point 14 (10/129) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -4.623 13.899 -2.557) 14.869 1.542 ( 3.048 8.483 -0.836) 9.052 1.718 ( 9.483 15.729 -4.438) 18.896 1.877 ( 4.876 -3.787 5.056) 7.980 2.134 ( 1.299 8.764 -5.073) 10.210 2.206 ( -2.825 -2.368 1.700) 4.059 2.401 ( -4.370 6.250 -0.061) 7.627 2.702 ( 1.828 0.211 -2.347) 2.982 2.849 ( -6.234 1.874 1.583) 6.700 3.194 ( 10.645 9.221 5.271) 15.038 3.382 ( -2.980 4.288 2.049) 5.609 3.518 ( -2.131 5.898 -1.844) 6.537 3.628 ( -1.312 -1.127 -6.569) 6.793 3.855 ( -3.228 -2.746 0.647) 4.287 3.898 ( -0.626 10.269 4.380) 11.181 4.048 ( 2.917 0.709 0.665) 3.074 4.149 ( -0.812 -0.494 -1.723) 1.968 4.303 ( -5.238 -0.156 4.323) 6.793 4.572 ( -2.224 0.033 1.579) 2.728 4.639 ( 3.705 13.517 -6.287) 15.361 5.013 ( -1.487 4.129 2.928) 5.276 5.283 ( -2.252 1.497 0.147) 2.708 5.610 ( 2.133 4.868 -0.001) 5.315 5.619 ( -0.531 2.109 0.979) 2.385 6.105 ( -0.481 2.225 -0.382) 2.308 6.301 ( 1.427 0.469 -0.149) 1.510 6.535 ( -4.322 1.441 -0.973) 4.659 6.671 ( -3.645 0.982 0.107) 3.777 6.812 ( 1.714 0.338 2.547) 3.088 7.134 ( -4.341 -0.828 -1.717) 4.741 7.522 ( 1.995 8.562 2.107) 9.040 8.190 ( 1.699 -2.698 5.890) 6.697 8.464 ( -4.298 5.968 0.826) 7.401 8.888 ( 14.696 -10.301 -4.939) 18.614 9.345 ( -0.388 -0.622 -0.063) 0.736 10.154 ( 4.156 4.522 -1.335) 6.286 19.096 ( 0.879 1.738 -1.026) 2.201 19.162 ( 0.029 0.110 0.067) 0.132 19.228 ( -1.027 0.014 0.382) 1.096 19.260 ( 1.227 -0.317 0.786) 1.491 21.363 ( 3.231 -2.482 0.169) 4.078 21.481 ( -0.283 -1.814 -0.303) 1.861 21.639 ( -2.511 -4.082 0.485) 4.817 21.842 ( -1.741 -4.602 1.273) 5.083 24.422 ( -0.740 -0.528 -0.079) 0.912 24.473 ( -0.479 -0.045 0.047) 0.484 24.497 ( 0.789 0.263 0.011) 0.832 24.534 ( 0.187 0.466 0.763) 0.914 32.331 ( 0.016 0.423 -0.401) 0.583 32.336 ( 0.814 0.881 0.202) 1.216 32.421 ( -2.750 0.869 -1.578) 3.287 32.522 ( -0.337 -1.215 0.210) 1.279 40.748 ( -10.407 -3.700 -16.502) 19.857 41.185 ( -0.792 -3.892 -0.162) 3.975 41.571 ( -0.700 -1.880 -2.257) 3.020 41.861 ( 0.668 4.084 8.227) 9.209 44.982 ( -7.118 -9.161 2.995) 11.981 45.040 ( -6.809 -9.568 -4.677) 12.641 45.811 ( 4.011 21.611 -2.072) 22.077 48.050 ( 21.973 10.162 7.947) 25.480 ======================= Grid point 15 (11/129) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -6.913 17.193 -5.560) 19.347 1.332 ( 6.133 28.232 -0.804) 28.901 1.716 ( 5.689 4.320 0.500) 7.161 1.999 ( 1.182 13.241 -5.273) 14.301 2.010 ( 1.554 2.885 2.581) 4.171 2.144 ( -7.241 7.508 -1.653) 10.561 2.222 ( -3.124 2.773 3.901) 5.715 2.719 ( 5.678 2.160 -1.683) 6.304 2.755 ( -4.083 -0.785 -0.109) 4.159 3.049 ( -6.953 20.672 0.084) 21.810 3.148 ( -6.532 16.885 1.121) 18.139 3.436 ( -0.368 6.532 3.841) 7.586 3.574 ( -0.355 5.157 -0.979) 5.261 3.708 ( -5.433 6.744 -1.239) 8.749 3.932 ( 6.656 -0.566 4.170) 7.875 4.081 ( 1.030 -2.265 1.832) 3.091 4.159 ( -2.039 -2.586 -1.887) 3.796 4.305 ( -2.035 -2.981 4.841) 6.039 4.414 ( -5.144 5.764 -6.417) 10.043 4.554 ( 3.211 6.814 -2.668) 7.991 4.974 ( -2.341 2.166 4.620) 5.614 5.266 ( -0.103 -2.417 -0.703) 2.520 5.442 ( -1.985 11.452 -0.516) 11.634 5.677 ( 1.826 -0.932 -1.095) 2.324 6.050 ( -1.326 2.642 -0.905) 3.091 6.326 ( 2.662 1.631 0.001) 3.122 6.439 ( -4.106 1.581 -0.416) 4.419 6.618 ( -1.963 1.541 0.171) 2.501 6.875 ( 2.099 -2.914 4.157) 5.493 7.073 ( -3.770 -0.443 -1.271) 4.003 7.412 ( -0.382 11.320 3.314) 11.801 8.263 ( 1.103 -1.584 4.602) 4.990 8.369 ( -0.645 4.115 2.721) 4.975 9.158 ( 7.248 -6.637 -4.565) 10.836 9.386 ( 1.597 -5.913 0.317) 6.133 10.145 ( 3.468 4.658 -1.586) 6.020 19.071 ( 0.186 2.408 -0.689) 2.511 19.163 ( 0.471 0.333 0.048) 0.579 19.207 ( -0.942 0.439 -0.005) 1.039 19.302 ( 1.320 -1.579 0.716) 2.179 21.447 ( 2.566 -2.801 0.091) 3.800 21.495 ( -1.181 -2.264 -0.434) 2.590 21.677 ( -0.514 -4.517 0.788) 4.614 21.904 ( -0.011 -5.626 1.059) 5.725 24.419 ( -0.561 -0.529 0.113) 0.779 24.466 ( -0.374 0.079 -0.119) 0.400 24.506 ( 0.557 0.084 0.438) 0.713 24.533 ( 0.110 0.594 0.671) 0.903 32.307 ( -0.920 0.808 -2.073) 2.407 32.340 ( 0.517 0.784 1.232) 1.549 32.371 ( -1.467 0.874 -1.009) 1.984 32.529 ( -0.409 -0.761 0.013) 0.864 40.504 ( -15.215 -2.615 -21.581) 26.534 41.240 ( -0.024 -4.698 0.822) 4.770 41.596 ( 0.622 -2.699 -0.544) 2.823 41.862 ( 0.664 2.311 3.774) 4.475 45.021 ( -5.481 -9.212 0.754) 10.746 45.054 ( -2.679 -6.417 -2.273) 7.316 45.522 ( -1.010 23.409 -0.971) 23.451 48.289 ( 22.360 9.531 10.131) 26.333 ======================= Grid point 16 (12/129) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -0.000 20.136 0.000) 20.136 1.008 ( -0.000 34.221 0.000) 34.221 1.402 ( -0.000 46.420 0.000) 46.420 1.783 ( 0.000 -1.270 -0.000) 1.270 1.930 ( -0.000 9.201 0.000) 9.201 2.110 ( -0.000 1.566 0.000) 1.566 2.196 ( -0.000 2.106 0.000) 2.106 2.708 ( -0.000 18.733 0.000) 18.733 2.775 ( 0.000 -4.582 -0.000) 4.582 2.786 ( -0.000 19.758 0.000) 19.758 2.806 ( 0.000 -3.801 -0.000) 3.801 3.308 ( -0.000 13.385 0.000) 13.385 3.486 ( -0.000 5.499 0.000) 5.499 3.658 ( 0.000 -2.809 -0.000) 2.809 4.002 ( -0.000 6.731 0.000) 6.731 4.111 ( 0.000 -1.001 -0.000) 1.001 4.158 ( 0.000 -4.936 -0.000) 4.936 4.252 ( -0.000 5.395 0.000) 5.395 4.423 ( 0.000 -9.958 -0.000) 9.958 4.490 ( -0.000 5.208 0.000) 5.208 4.928 ( -0.000 2.659 0.000) 2.659 5.280 ( -0.000 9.936 0.000) 9.936 5.325 ( 0.000 -5.311 -0.000) 5.311 5.684 ( -0.000 0.994 0.000) 0.994 6.009 ( -0.000 1.679 0.000) 1.679 6.283 ( -0.000 5.316 0.000) 5.316 6.432 ( 0.000 -2.071 -0.000) 2.071 6.580 ( -0.000 1.317 0.000) 1.317 6.962 ( 0.000 -4.198 -0.000) 4.198 7.039 ( 0.000 -0.341 -0.000) 0.341 7.276 ( -0.000 10.019 0.000) 10.019 8.312 ( 0.000 -1.958 -0.000) 1.958 8.374 ( 0.000 -0.066 -0.000) 0.066 9.211 ( 0.000 -0.403 -0.000) 0.403 9.519 ( 0.000 -8.993 -0.000) 8.993 10.097 ( -0.000 5.540 0.000) 5.540 19.039 ( -0.000 2.097 0.000) 2.097 19.165 ( -0.000 0.287 0.000) 0.287 19.196 ( -0.000 0.016 0.000) 0.016 19.334 ( 0.000 -1.210 -0.000) 1.210 21.494 ( 0.000 -1.739 -0.000) 1.739 21.511 ( 0.000 -2.062 -0.000) 2.062 21.735 ( 0.000 -3.768 -0.000) 3.768 21.983 ( 0.000 -5.077 -0.000) 5.077 24.421 ( 0.000 -0.420 -0.000) 0.420 24.461 ( -0.000 0.163 0.000) 0.163 24.513 ( 0.000 -0.152 -0.000) 0.152 24.529 ( -0.000 0.488 0.000) 0.488 32.278 ( -0.000 0.836 0.000) 0.836 32.342 ( -0.000 0.640 0.000) 0.640 32.344 ( -0.000 0.758 0.000) 0.758 32.534 ( 0.000 -0.425 -0.000) 0.425 40.235 ( -0.000 4.920 0.000) 4.920 41.300 ( 0.000 -3.714 -0.000) 3.714 41.636 ( 0.000 -2.311 -0.000) 2.311 41.857 ( -0.000 0.857 0.000) 0.857 45.080 ( 0.000 -6.397 -0.000) 6.397 45.114 ( 0.000 -5.626 -0.000) 5.626 45.212 ( -0.000 20.060 0.000) 20.060 48.478 ( -0.000 1.552 0.000) 1.552 ======================= Grid point 19 (13/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 4.620 -0.000 9.879) 10.906 1.429 ( 11.910 -0.000 10.174) 15.664 1.541 ( 1.682 -0.000 -1.355) 2.160 2.190 ( 11.371 -0.000 -4.048) 12.070 2.215 ( 0.528 -0.000 -2.376) 2.434 2.395 ( 5.627 -0.000 -2.340) 6.094 2.681 ( -3.216 0.000 -8.653) 9.231 2.705 ( 9.093 -0.000 0.600) 9.113 2.857 ( 16.762 -0.000 2.312) 16.921 2.926 ( -5.428 0.000 -3.357) 6.382 3.324 ( 2.290 -0.000 6.777) 7.153 3.440 ( 15.820 -0.000 9.767) 18.592 3.474 ( 13.334 -0.000 -5.797) 14.539 3.640 ( 8.888 -0.000 -0.763) 8.921 3.932 ( 3.531 -0.000 -14.862) 15.276 3.991 ( -0.182 0.000 1.520) 1.531 4.031 ( 2.158 -0.000 2.931) 3.639 4.314 ( 1.174 -0.000 -2.022) 2.338 4.333 ( 1.489 -0.000 -2.900) 3.260 4.861 ( 6.113 -0.000 -2.766) 6.709 5.174 ( 0.901 -0.000 -0.732) 1.160 5.301 ( 2.802 -0.000 3.452) 4.446 5.502 ( 0.149 -0.000 0.182) 0.235 5.747 ( 3.264 -0.000 11.074) 11.545 6.198 ( 4.737 -0.000 6.328) 7.904 6.357 ( -2.711 0.000 -3.838) 4.699 6.450 ( 3.443 -0.000 0.490) 3.477 6.593 ( 7.078 -0.000 6.306) 9.480 6.848 ( -1.147 0.000 -6.103) 6.210 7.156 ( -0.359 0.000 -1.408) 1.453 7.303 ( 12.633 -0.000 -11.320) 16.963 7.930 ( 3.710 -0.000 5.964) 7.023 8.474 ( 7.935 -0.000 -4.044) 8.906 9.066 ( -15.445 0.000 -2.821) 15.700 9.404 ( 0.539 -0.000 0.499) 0.734 10.309 ( 3.674 -0.000 -3.324) 4.954 19.064 ( 1.788 -0.000 0.910) 2.006 19.147 ( 0.368 -0.000 -1.595) 1.637 19.185 ( -0.238 0.000 0.322) 0.400 19.362 ( -0.615 0.000 1.413) 1.541 21.393 ( -2.938 0.000 -0.777) 3.039 21.446 ( -2.066 0.000 0.849) 2.234 21.620 ( -5.304 0.000 -0.246) 5.310 21.801 ( -5.501 0.000 0.110) 5.502 24.427 ( -0.730 0.000 -0.363) 0.815 24.473 ( 0.485 -0.000 -0.623) 0.789 24.504 ( -0.065 0.000 -0.764) 0.767 24.512 ( 1.011 -0.000 1.074) 1.475 32.319 ( 1.128 -0.000 0.006) 1.128 32.338 ( 0.169 -0.000 1.452) 1.462 32.432 ( 1.100 -0.000 0.814) 1.369 32.526 ( -1.363 0.000 -1.161) 1.790 41.026 ( -5.961 0.000 -7.743) 9.772 41.267 ( -7.486 0.000 -4.869) 8.930 41.681 ( -2.544 0.000 -4.644) 5.295 42.105 ( -12.433 0.000 28.999) 31.552 44.772 ( -8.561 0.000 -5.448) 10.147 44.819 ( -4.254 0.000 2.750) 5.065 46.044 ( 20.701 -0.000 -0.383) 20.704 47.593 ( 26.855 -0.000 -4.981) 27.313 ======================= Grid point 20 (14/129) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 8.252 0.722 8.137) 11.611 1.536 ( 1.106 2.419 1.784) 3.203 1.634 ( 7.462 -0.869 4.874) 8.955 2.172 ( -2.698 -0.058 -2.441) 3.638 2.246 ( 8.108 9.217 -7.920) 14.609 2.434 ( -0.503 -3.341 -2.497) 4.201 2.595 ( -5.048 3.564 -3.581) 7.142 2.644 ( 0.413 2.210 -3.381) 4.060 2.861 ( -2.885 -2.420 -0.508) 3.800 3.101 ( 6.061 -0.540 3.564) 7.052 3.377 ( 8.282 2.526 4.822) 9.911 3.639 ( 10.026 3.424 1.582) 10.712 3.651 ( 1.650 1.207 -7.013) 7.304 3.744 ( 4.216 -2.935 3.724) 6.345 3.964 ( 6.625 -3.137 -3.233) 8.012 4.047 ( 8.054 2.337 -1.031) 8.450 4.181 ( 7.213 -5.699 4.500) 10.235 4.281 ( 5.078 1.891 -4.041) 6.759 4.395 ( 0.110 -4.391 -1.340) 4.592 4.934 ( 8.745 2.672 -3.784) 9.896 5.166 ( 0.817 2.293 0.144) 2.438 5.369 ( 2.755 -0.063 2.644) 3.819 5.484 ( -0.652 0.836 1.008) 1.463 5.828 ( 2.308 2.628 8.913) 9.575 6.224 ( -0.848 3.814 2.083) 4.428 6.313 ( 2.483 2.603 -0.499) 3.631 6.560 ( 2.977 -5.582 0.739) 6.369 6.725 ( 2.711 -0.129 3.157) 4.163 6.777 ( -1.256 0.481 -2.263) 2.632 7.141 ( -1.911 -1.345 -2.151) 3.176 7.456 ( 13.831 -2.395 -9.195) 16.780 8.021 ( 2.476 -2.002 5.299) 6.182 8.577 ( 9.306 0.201 -2.955) 9.766 8.806 ( -14.145 3.971 -1.603) 14.779 9.406 ( 0.793 1.575 -0.026) 1.764 10.315 ( 3.847 4.208 -2.736) 6.324 19.101 ( 2.393 -0.054 0.965) 2.581 19.146 ( 0.425 -0.487 -1.550) 1.679 19.185 ( -0.412 -0.329 0.535) 0.751 19.346 ( -1.013 1.664 1.086) 2.230 21.340 ( -1.248 1.723 -0.772) 2.263 21.436 ( -1.435 -1.298 0.596) 2.025 21.554 ( -5.418 -2.126 -0.132) 5.822 21.741 ( -5.105 -2.162 0.767) 5.597 24.416 ( -0.716 -0.251 -0.301) 0.816 24.475 ( -0.130 -0.034 0.154) 0.204 24.500 ( 0.384 0.174 -0.910) 1.003 24.532 ( 0.790 0.010 0.984) 1.262 32.335 ( 1.040 0.417 0.615) 1.278 32.347 ( 0.566 0.126 0.480) 0.753 32.457 ( 0.462 -1.281 0.496) 1.449 32.491 ( -2.127 0.218 -1.602) 2.672 40.898 ( -5.938 0.446 -7.362) 9.469 41.148 ( -5.125 -0.558 -4.888) 7.104 41.606 ( -3.941 0.329 -4.042) 5.655 42.044 ( -6.639 5.530 18.188) 20.136 44.686 ( -9.064 -8.710 -3.531) 13.058 44.803 ( -4.349 -4.471 1.764) 6.482 46.283 ( 18.589 7.340 -0.963) 20.009 47.936 ( 24.203 2.023 -1.214) 24.317 ======================= Grid point 21 (15/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -2.455 6.110 -1.329) 6.717 1.628 ( 6.855 4.549 2.081) 8.486 1.759 ( 5.640 -2.788 5.025) 8.051 2.121 ( -3.518 -1.746 -2.380) 4.592 2.178 ( 8.194 11.285 -4.176) 14.558 2.384 ( -4.181 5.107 -2.758) 7.153 2.474 ( 0.426 3.404 0.244) 3.439 2.681 ( 0.997 -1.831 -0.860) 2.255 2.850 ( -4.222 -3.309 -0.760) 5.418 3.159 ( -3.812 -9.180 1.326) 10.028 3.525 ( 9.953 6.435 1.593) 11.959 3.564 ( 0.981 0.206 -3.487) 3.628 3.696 ( 7.937 7.432 -1.275) 10.948 3.814 ( 1.186 0.435 4.388) 4.566 4.045 ( 3.136 0.430 -0.023) 3.165 4.108 ( 5.449 4.628 -1.387) 7.282 4.209 ( 1.818 3.562 -2.181) 4.555 4.393 ( -1.030 3.251 2.067) 3.988 4.467 ( 5.039 -5.762 1.417) 7.785 4.972 ( 8.280 9.160 -2.898) 12.683 5.135 ( -0.675 3.518 0.389) 3.603 5.357 ( -1.727 3.674 1.169) 4.225 5.526 ( 2.771 -3.188 1.466) 4.471 5.834 ( 0.903 6.199 5.294) 8.202 6.175 ( -0.675 2.715 1.354) 3.108 6.309 ( 1.028 1.754 -0.990) 2.261 6.597 ( -1.115 2.491 -1.258) 3.005 6.682 ( -1.501 0.090 -0.415) 1.559 6.825 ( 0.530 -0.623 2.633) 2.757 7.111 ( -2.382 -0.725 -2.282) 3.378 7.626 ( 10.356 -0.557 -5.256) 11.627 8.107 ( 1.506 -2.867 4.531) 5.569 8.557 ( -9.679 3.157 -1.040) 10.234 8.737 ( 10.219 -2.853 -1.055) 10.662 9.385 ( 0.592 2.881 -0.465) 2.977 10.296 ( 4.233 5.345 -1.686) 7.023 19.128 ( 1.615 0.755 -0.898) 1.996 19.160 ( 0.848 -0.308 0.283) 0.946 19.194 ( 0.171 -1.299 0.751) 1.510 19.307 ( -1.283 2.253 0.610) 2.664 21.326 ( 1.348 -0.236 -0.360) 1.415 21.437 ( -1.178 -1.419 -0.384) 1.884 21.525 ( -4.178 -4.138 0.462) 5.898 21.720 ( -4.157 -4.174 1.193) 6.011 24.409 ( -0.623 -0.378 -0.204) 0.757 24.472 ( -0.436 -0.034 0.239) 0.498 24.502 ( 0.594 0.091 -0.599) 0.848 24.544 ( 0.491 0.290 0.821) 1.000 32.341 ( 0.078 0.484 0.713) 0.866 32.356 ( 1.186 0.559 -0.179) 1.324 32.442 ( -2.352 0.620 -1.537) 2.877 32.483 ( -0.108 -1.597 0.164) 1.609 40.755 ( -6.222 2.246 -7.960) 10.350 41.094 ( -2.470 -2.786 -3.154) 4.880 41.535 ( -3.243 -0.885 -2.571) 4.232 41.988 ( -2.521 4.918 10.525) 11.888 44.680 ( -8.420 -11.696 -2.237) 14.584 44.822 ( -3.980 -6.384 0.999) 7.589 46.346 ( 12.287 16.777 -1.468) 20.847 48.218 ( 20.001 3.626 2.026) 20.428 ======================= Grid point 22 (16/129) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -3.945 13.615 -3.185) 14.528 1.619 ( 0.613 2.665 -1.293) 3.025 1.928 ( 7.721 -3.120 2.929) 8.828 2.075 ( 2.257 10.088 1.345) 10.425 2.136 ( -0.597 1.747 -0.009) 1.847 2.282 ( 4.973 7.868 -2.238) 9.573 2.426 ( -1.209 5.495 -0.660) 5.665 2.665 ( -4.718 -1.694 -0.407) 5.030 2.807 ( -3.224 0.080 0.472) 3.259 3.293 ( 1.247 -10.681 1.793) 10.902 3.451 ( -3.167 -0.367 -6.695) 7.415 3.630 ( 3.502 15.848 -2.695) 16.453 3.687 ( 10.514 6.244 4.843) 13.153 3.844 ( 1.425 2.136 5.883) 6.418 4.022 ( -0.607 6.170 0.432) 6.215 4.087 ( -0.088 2.492 -1.018) 2.694 4.135 ( -0.573 6.023 -5.633) 8.266 4.326 ( -0.739 5.516 6.756) 8.753 4.521 ( -2.425 -0.448 -2.607) 3.588 4.883 ( 3.981 15.770 -0.771) 16.283 5.067 ( -0.854 4.455 0.613) 4.578 5.281 ( -2.188 3.217 0.516) 3.924 5.619 ( 2.758 -3.069 0.481) 4.154 5.744 ( -0.799 10.319 1.728) 10.493 6.130 ( -1.060 3.337 0.464) 3.532 6.311 ( 0.630 -1.516 -0.602) 1.748 6.515 ( -2.095 4.261 -0.889) 4.831 6.672 ( 1.035 1.827 0.396) 2.137 6.828 ( -1.487 -0.813 1.582) 2.318 7.070 ( -1.948 0.345 -1.582) 2.533 7.667 ( 3.385 6.689 -1.027) 7.566 8.184 ( 0.472 -3.503 2.728) 4.465 8.421 ( -4.883 1.044 -0.433) 5.012 8.953 ( 8.922 -8.130 -0.747) 12.094 9.351 ( 0.174 2.396 -0.374) 2.431 10.281 ( 3.805 5.160 -0.749) 6.455 19.125 ( 0.731 1.373 -1.037) 1.869 19.169 ( 0.467 0.167 0.202) 0.536 19.220 ( 0.006 0.041 1.091) 1.092 19.273 ( -0.193 0.146 0.090) 0.258 21.375 ( 2.484 -2.381 -0.050) 3.441 21.435 ( -1.497 -2.058 -0.712) 2.642 21.546 ( -1.940 -5.147 0.609) 5.534 21.745 ( -2.215 -5.934 1.040) 6.418 24.406 ( -0.402 -0.434 -0.078) 0.597 24.467 ( -0.312 0.013 0.059) 0.318 24.507 ( 0.396 -0.022 -0.161) 0.428 24.547 ( 0.220 0.505 0.521) 0.758 32.328 ( -0.781 0.736 -0.717) 1.290 32.363 ( 0.903 0.924 0.731) 1.484 32.397 ( -1.223 1.008 -1.019) 1.884 32.500 ( -0.358 -1.465 0.034) 1.508 40.573 ( -5.949 5.339 -7.644) 11.061 41.110 ( -0.845 -4.736 -1.016) 4.916 41.521 ( -1.010 -2.893 -0.908) 3.196 41.951 ( -0.599 4.000 4.920) 6.369 44.725 ( -5.458 -12.248 -1.236) 13.466 44.865 ( -2.627 -7.054 0.440) 7.540 46.187 ( 4.897 24.741 -1.225) 25.250 48.433 ( 13.455 3.013 3.334) 14.185 ======================= Grid point 23 (17/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.000 17.391 0.000) 17.391 1.574 ( -0.000 5.930 0.000) 5.930 1.916 ( -0.000 14.201 0.000) 14.201 2.080 ( 0.000 -2.521 -0.000) 2.521 2.101 ( -0.000 0.456 0.000) 0.456 2.232 ( -0.000 18.000 0.000) 18.000 2.255 ( -0.000 5.569 0.000) 5.569 2.659 ( 0.000 -4.167 -0.000) 4.167 2.787 ( -0.000 0.693 0.000) 0.693 3.312 ( -0.000 17.076 0.000) 17.076 3.346 ( -0.000 20.887 0.000) 20.887 3.466 ( 0.000 -5.078 -0.000) 5.078 3.697 ( -0.000 7.859 0.000) 7.859 3.752 ( -0.000 14.438 0.000) 14.438 3.963 ( 0.000 -4.931 -0.000) 4.931 4.077 ( 0.000 -3.109 -0.000) 3.109 4.090 ( -0.000 1.589 0.000) 1.589 4.287 ( -0.000 2.990 0.000) 2.990 4.447 ( -0.000 4.824 0.000) 4.824 4.709 ( -0.000 13.681 0.000) 13.681 5.014 ( -0.000 3.668 0.000) 3.668 5.242 ( -0.000 0.129 0.000) 0.129 5.587 ( -0.000 12.488 0.000) 12.488 5.673 ( 0.000 -1.781 -0.000) 1.781 6.076 ( -0.000 3.405 0.000) 3.405 6.354 ( 0.000 -3.441 -0.000) 3.441 6.430 ( -0.000 5.348 0.000) 5.348 6.643 ( -0.000 3.462 0.000) 3.462 6.857 ( 0.000 -3.649 -0.000) 3.649 7.041 ( -0.000 0.597 0.000) 0.597 7.567 ( -0.000 10.790 0.000) 10.790 8.240 ( 0.000 -3.410 -0.000) 3.410 8.378 ( -0.000 0.366 0.000) 0.366 9.135 ( 0.000 -7.784 -0.000) 7.784 9.338 ( 0.000 -1.376 -0.000) 1.376 10.244 ( -0.000 5.379 0.000) 5.379 19.103 ( -0.000 2.318 0.000) 2.318 19.173 ( -0.000 0.218 0.000) 0.218 19.205 ( -0.000 0.963 0.000) 0.963 19.294 ( 0.000 -1.725 -0.000) 1.725 21.431 ( 0.000 -2.856 -0.000) 2.856 21.450 ( 0.000 -2.353 -0.000) 2.353 21.606 ( 0.000 -5.711 -0.000) 5.711 21.819 ( 0.000 -6.905 -0.000) 6.905 24.409 ( 0.000 -0.470 -0.000) 0.470 24.464 ( -0.000 0.083 0.000) 0.083 24.510 ( 0.000 -0.095 -0.000) 0.095 24.543 ( -0.000 0.574 0.000) 0.574 32.304 ( -0.000 1.106 0.000) 1.106 32.364 ( -0.000 0.946 0.000) 0.946 32.368 ( -0.000 1.082 0.000) 1.082 32.513 ( 0.000 -1.143 -0.000) 1.143 40.405 ( -0.000 7.681 0.000) 7.681 41.171 ( 0.000 -5.596 -0.000) 5.596 41.557 ( 0.000 -3.502 -0.000) 3.502 41.914 ( -0.000 3.308 0.000) 3.308 44.836 ( 0.000 -11.623 -0.000) 11.623 44.939 ( 0.000 -7.257 -0.000) 7.257 45.866 ( -0.000 27.817 0.000) 27.817 48.524 ( -0.000 1.710 0.000) 1.710 ======================= Grid point 28 (18/129) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -1.957 0.000 -3.423) 3.943 1.667 ( 9.013 -0.000 6.441) 11.078 1.799 ( 8.460 -0.000 6.834) 10.876 2.078 ( -5.304 0.000 -3.926) 6.600 2.354 ( -3.327 0.000 -2.580) 4.210 2.442 ( 10.029 -0.000 -6.199) 11.790 2.487 ( -4.668 0.000 -1.918) 5.047 2.631 ( -2.888 0.000 -1.324) 3.177 2.775 ( -4.307 0.000 -0.232) 4.313 3.045 ( -8.638 0.000 3.598) 9.357 3.559 ( -4.908 0.000 -10.562) 11.646 3.629 ( 12.619 -0.000 3.202) 13.018 3.791 ( 3.047 -0.000 9.416) 9.897 3.867 ( 8.575 -0.000 -2.876) 9.044 4.042 ( 7.123 -0.000 -0.714) 7.159 4.207 ( 0.848 -0.000 -1.581) 1.794 4.255 ( 10.993 -0.000 5.528) 12.304 4.382 ( 2.475 -0.000 3.449) 4.245 4.393 ( 13.533 -0.000 -7.135) 15.299 5.080 ( 10.892 -0.000 -1.901) 11.056 5.178 ( -0.866 0.000 0.145) 0.878 5.436 ( 3.363 -0.000 3.021) 4.521 5.465 ( -2.251 0.000 -0.567) 2.321 5.920 ( 1.414 -0.000 7.360) 7.494 6.198 ( -2.344 0.000 -2.199) 3.214 6.401 ( 1.296 -0.000 1.679) 2.121 6.592 ( 5.260 -0.000 1.810) 5.563 6.703 ( -3.855 0.000 -3.859) 5.455 6.790 ( 1.090 -0.000 3.594) 3.756 7.102 ( -0.924 0.000 -1.521) 1.779 7.597 ( 13.866 -0.000 -7.768) 15.894 8.064 ( 1.792 -0.000 3.427) 3.867 8.625 ( -12.924 0.000 -0.415) 12.931 8.690 ( 7.564 -0.000 -1.152) 7.651 9.434 ( 1.304 -0.000 -0.142) 1.312 10.375 ( 2.930 -0.000 -2.544) 3.880 19.141 ( 0.586 -0.000 -1.563) 1.670 19.150 ( 3.202 -0.000 1.342) 3.472 19.178 ( -0.738 0.000 0.697) 1.015 19.340 ( -1.777 0.000 0.440) 1.831 21.336 ( -0.219 0.000 -1.026) 1.049 21.409 ( -1.066 0.000 0.320) 1.113 21.465 ( -4.676 0.000 0.367) 4.690 21.659 ( -4.547 0.000 1.056) 4.668 24.404 ( -0.548 0.000 -0.226) 0.593 24.471 ( -0.416 0.000 0.262) 0.492 24.503 ( 0.482 -0.000 -0.727) 0.872 24.548 ( 0.630 -0.000 0.839) 1.050 32.351 ( -0.257 0.000 0.583) 0.637 32.362 ( 1.541 -0.000 0.374) 1.586 32.454 ( 0.017 -0.000 0.048) 0.050 32.454 ( -1.867 0.000 -1.489) 2.388 40.794 ( -4.454 0.000 -5.328) 6.945 41.055 ( -3.151 0.000 -4.535) 5.522 41.524 ( -4.699 0.000 -3.245) 5.711 42.064 ( -5.488 0.000 11.618) 12.849 44.505 ( -5.908 0.000 -3.137) 6.689 44.734 ( -3.089 0.000 1.943) 3.649 46.579 ( 15.038 -0.000 -0.601) 15.050 48.262 ( 19.141 -0.000 -0.357) 19.144 ======================= Grid point 29 (19/129) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -2.473 1.382 -2.943) 4.085 1.792 ( 3.835 6.101 0.962) 7.270 1.869 ( 6.518 2.942 2.004) 7.426 2.023 ( -4.136 -2.906 1.449) 5.259 2.334 ( -1.841 -2.064 -0.480) 2.807 2.377 ( 4.530 4.799 -1.327) 6.732 2.556 ( 1.023 4.383 -0.535) 4.533 2.604 ( -1.164 -5.349 -2.694) 6.101 2.739 ( -2.997 -2.686 -0.619) 4.072 2.972 ( -6.724 -6.536 2.502) 9.705 3.447 ( -3.558 -0.034 -6.365) 7.292 3.764 ( 5.996 0.867 1.588) 6.263 3.873 ( 3.650 0.967 6.647) 7.645 3.911 ( 4.365 4.400 -1.461) 6.368 4.089 ( 0.272 1.094 0.156) 1.138 4.175 ( 0.129 2.059 -3.786) 4.312 4.378 ( 10.314 6.787 -2.319) 12.563 4.430 ( 0.688 1.157 6.636) 6.771 4.529 ( 5.368 2.136 -1.844) 6.064 5.152 ( -1.074 1.641 -0.401) 2.001 5.186 ( 7.330 5.659 0.435) 9.270 5.389 ( -1.665 4.487 -0.224) 4.792 5.526 ( 2.297 -3.865 1.148) 4.640 5.937 ( 0.407 4.098 3.576) 5.455 6.180 ( 0.240 -0.093 0.131) 0.289 6.341 ( -3.037 3.835 -1.833) 5.224 6.629 ( -0.250 3.415 -0.631) 3.482 6.687 ( 3.169 -0.793 0.969) 3.407 6.801 ( -2.693 -1.305 1.019) 3.161 7.086 ( -0.247 0.572 -0.793) 1.008 7.739 ( 8.912 0.113 -4.443) 9.958 8.109 ( 0.779 -1.814 1.830) 2.692 8.457 ( -7.858 1.364 0.593) 7.997 8.795 ( 4.677 -3.394 -0.234) 5.783 9.434 ( 0.944 2.488 -0.240) 2.672 10.383 ( 2.042 2.236 -1.283) 3.289 19.142 ( 0.662 0.157 -1.094) 1.288 19.171 ( -0.492 -0.064 0.540) 0.733 19.207 ( 2.988 -0.408 1.269) 3.271 19.303 ( -2.328 1.076 -0.205) 2.573 21.337 ( 0.973 -0.485 -0.520) 1.205 21.397 ( -1.581 -0.825 -0.679) 1.908 21.438 ( -1.880 -2.570 0.899) 3.309 21.627 ( -2.855 -2.613 0.862) 3.965 24.398 ( -0.317 -0.175 -0.117) 0.381 24.467 ( -0.296 -0.007 0.130) 0.324 24.506 ( 0.318 -0.021 -0.323) 0.454 24.557 ( 0.311 0.204 0.473) 0.602 32.343 ( -0.633 0.352 -0.017) 0.724 32.382 ( 1.159 0.411 0.414) 1.297 32.421 ( -0.906 0.863 -0.821) 1.497 32.461 ( -0.306 -1.299 -0.108) 1.339 40.700 ( -2.830 3.216 -3.403) 5.471 41.018 ( -1.160 -1.960 -2.377) 3.292 41.459 ( -2.965 -1.471 -1.650) 3.698 42.037 ( -2.329 2.043 5.445) 6.265 44.467 ( -3.524 -5.998 -1.582) 7.134 44.727 ( -1.811 -2.958 1.000) 3.610 46.675 ( 7.801 10.677 -0.494) 13.232 48.474 ( 10.824 0.522 0.491) 10.847 ======================= Grid point 30 (20/129) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -0.000 7.365 0.000) 7.365 1.680 ( -0.000 8.077 0.000) 8.077 1.988 ( 0.000 -3.773 -0.000) 3.773 2.004 ( 0.000 -2.808 -0.000) 2.808 2.269 ( -0.000 7.215 0.000) 7.215 2.421 ( -0.000 4.246 0.000) 4.246 2.514 ( -0.000 5.936 0.000) 5.936 2.568 ( 0.000 -2.092 -0.000) 2.092 2.758 ( 0.000 -3.298 -0.000) 3.298 3.096 ( 0.000 -16.463 -0.000) 16.463 3.402 ( -0.000 0.151 0.000) 0.151 3.801 ( -0.000 1.018 0.000) 1.018 3.847 ( -0.000 10.489 0.000) 10.489 3.932 ( 0.000 -0.229 -0.000) 0.229 4.066 ( -0.000 1.836 0.000) 1.836 4.109 ( -0.000 4.928 0.000) 4.928 4.301 ( -0.000 15.828 0.000) 15.828 4.437 ( -0.000 5.320 0.000) 5.320 4.489 ( -0.000 1.542 0.000) 1.542 5.108 ( -0.000 3.175 0.000) 3.175 5.112 ( -0.000 13.439 0.000) 13.439 5.316 ( -0.000 4.253 0.000) 4.253 5.601 ( 0.000 -3.676 -0.000) 3.676 5.866 ( -0.000 8.182 0.000) 8.182 6.164 ( -0.000 2.777 0.000) 2.777 6.293 ( 0.000 -0.516 -0.000) 0.516 6.565 ( -0.000 5.116 0.000) 5.116 6.724 ( -0.000 1.992 0.000) 1.992 6.782 ( 0.000 -2.109 -0.000) 2.109 7.069 ( -0.000 1.299 0.000) 1.299 7.764 ( -0.000 3.903 0.000) 3.903 8.151 ( 0.000 -3.019 -0.000) 3.019 8.392 ( -0.000 0.629 0.000) 0.629 8.904 ( 0.000 -7.486 -0.000) 7.486 9.397 ( -0.000 3.754 0.000) 3.754 10.361 ( -0.000 3.375 0.000) 3.375 19.139 ( -0.000 0.582 0.000) 0.582 19.172 ( 0.000 -0.298 -0.000) 0.298 19.249 ( -0.000 1.996 0.000) 1.996 19.256 ( 0.000 -0.960 -0.000) 0.960 21.364 ( 0.000 -2.000 -0.000) 2.000 21.397 ( 0.000 -1.537 -0.000) 1.537 21.470 ( 0.000 -4.152 -0.000) 4.152 21.658 ( 0.000 -4.882 -0.000) 4.882 24.399 ( 0.000 -0.304 -0.000) 0.304 24.465 ( -0.000 0.007 0.000) 0.007 24.508 ( 0.000 -0.067 -0.000) 0.067 24.557 ( -0.000 0.398 0.000) 0.398 32.330 ( -0.000 0.749 0.000) 0.749 32.386 ( -0.000 0.676 0.000) 0.676 32.398 ( -0.000 1.151 0.000) 1.151 32.477 ( 0.000 -1.555 -0.000) 1.555 40.600 ( -0.000 6.547 0.000) 6.547 41.042 ( 0.000 -3.811 -0.000) 3.811 41.467 ( 0.000 -3.151 -0.000) 3.151 42.004 ( -0.000 3.034 0.000) 3.034 44.538 ( 0.000 -9.774 -0.000) 9.774 44.769 ( 0.000 -5.148 -0.000) 5.148 46.523 ( -0.000 20.241 0.000) 20.241 48.553 ( -0.000 0.400 0.000) 0.400 ======================= Grid point 38 (21/129) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 -0.000 -0.000) 0.000 1.870 ( -0.000 0.000 0.000) 0.000 1.962 ( 0.000 -0.000 -0.000) 0.000 1.986 ( -0.000 0.000 0.000) 0.000 2.282 ( 0.000 -0.000 -0.000) 0.000 2.399 ( 0.000 -0.000 -0.000) 0.000 2.588 ( 0.000 -0.000 -0.000) 0.000 2.591 ( 0.000 -0.000 -0.000) 0.000 2.701 ( -0.000 0.000 0.000) 0.000 2.870 ( 0.000 -0.000 -0.000) 0.000 3.402 ( 0.000 -0.000 -0.000) 0.000 3.812 ( 0.000 -0.000 -0.000) 0.000 3.924 ( 0.000 -0.000 -0.000) 0.000 3.964 ( 0.000 -0.000 -0.000) 0.000 4.077 ( 0.000 -0.000 -0.000) 0.000 4.194 ( 0.000 -0.000 -0.000) 0.000 4.448 ( 0.000 -0.000 -0.000) 0.000 4.505 ( 0.000 -0.000 -0.000) 0.000 4.609 ( 0.000 -0.000 -0.000) 0.000 5.153 ( 0.000 -0.000 -0.000) 0.000 5.282 ( 0.000 -0.000 -0.000) 0.000 5.419 ( 0.000 -0.000 -0.000) 0.000 5.509 ( 0.000 -0.000 -0.000) 0.000 5.979 ( 0.000 -0.000 -0.000) 0.000 6.200 ( 0.000 -0.000 -0.000) 0.000 6.307 ( 0.000 -0.000 -0.000) 0.000 6.651 ( 0.000 -0.000 -0.000) 0.000 6.741 ( 0.000 -0.000 -0.000) 0.000 6.750 ( 0.000 -0.000 -0.000) 0.000 7.089 ( 0.000 -0.000 -0.000) 0.000 7.802 ( 0.000 -0.000 -0.000) 0.000 8.107 ( 0.000 -0.000 -0.000) 0.000 8.402 ( 0.000 -0.000 -0.000) 0.000 8.803 ( 0.000 -0.000 -0.000) 0.000 9.458 ( 0.000 -0.000 -0.000) 0.000 10.407 ( 0.000 -0.000 -0.000) 0.000 19.146 ( 0.000 -0.000 -0.000) 0.000 19.165 ( 0.000 -0.000 -0.000) 0.000 19.245 ( 0.000 -0.000 -0.000) 0.000 19.279 ( 0.000 -0.000 -0.000) 0.000 21.337 ( 0.000 -0.000 -0.000) 0.000 21.376 ( 0.000 -0.000 -0.000) 0.000 21.413 ( 0.000 -0.000 -0.000) 0.000 21.591 ( 0.000 -0.000 -0.000) 0.000 24.394 ( 0.000 -0.000 -0.000) 0.000 24.465 ( 0.000 -0.000 -0.000) 0.000 24.507 ( 0.000 -0.000 -0.000) 0.000 24.562 ( 0.000 -0.000 -0.000) 0.000 32.340 ( 0.000 -0.000 -0.000) 0.000 32.396 ( 0.000 -0.000 -0.000) 0.000 32.422 ( -0.000 0.000 0.000) 0.000 32.446 ( 0.000 -0.000 -0.000) 0.000 40.696 ( 0.000 -0.000 -0.000) 0.000 40.991 ( 0.000 -0.000 -0.000) 0.000 41.419 ( 0.000 -0.000 -0.000) 0.000 42.047 ( 0.000 -0.000 -0.000) 0.000 44.400 ( 0.000 -0.000 -0.000) 0.000 44.698 ( 0.000 -0.000 -0.000) 0.000 46.804 ( 0.000 -0.000 -0.000) 0.000 48.554 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 67 (22/129) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 9.647 -0.000 17.772) 20.222 0.422 ( -7.668 0.000 19.730) 21.168 0.764 ( 3.774 -0.000 32.671) 32.888 1.752 ( 3.122 -0.000 -3.071) 4.379 1.888 ( 1.840 -0.000 -2.032) 2.741 2.054 ( 0.226 -0.000 3.793) 3.800 2.155 ( 5.300 -0.000 0.243) 5.306 2.479 ( -6.778 0.000 -0.278) 6.784 2.488 ( -1.291 0.000 -3.153) 3.407 2.869 ( 0.807 -0.000 -2.685) 2.804 2.960 ( -6.198 0.000 0.833) 6.254 2.983 ( 3.718 -0.000 -8.327) 9.119 3.467 ( -8.393 0.000 -0.164) 8.395 3.687 ( -4.305 0.000 -4.539) 6.256 3.826 ( 0.324 -0.000 1.754) 1.784 4.006 ( -0.479 0.000 0.526) 0.712 4.106 ( -1.980 0.000 -2.251) 2.998 4.278 ( 0.256 -0.000 4.497) 4.504 4.385 ( -0.689 0.000 -2.710) 2.796 4.715 ( 18.301 -0.000 -1.649) 18.375 5.121 ( 4.075 -0.000 -0.521) 4.108 5.236 ( -4.691 0.000 -6.335) 7.883 5.494 ( -8.247 0.000 3.523) 8.968 5.528 ( 4.205 -0.000 1.174) 4.366 6.054 ( -1.703 0.000 4.189) 4.521 6.188 ( 2.306 -0.000 -1.439) 2.718 6.457 ( 1.054 -0.000 0.740) 1.288 6.480 ( -1.982 0.000 1.858) 2.717 7.026 ( -67.967 0.000 3.990) 68.084 7.058 ( -0.787 0.000 1.063) 1.322 7.129 ( -3.632 0.000 2.095) 4.193 7.737 ( 2.509 -0.000 2.791) 3.753 8.342 ( -3.501 0.000 0.753) 3.581 9.386 ( 0.905 -0.000 -0.507) 1.037 9.575 ( 20.169 -0.000 -8.006) 21.700 9.633 ( 23.192 -0.000 -4.315) 23.590 19.027 ( 0.346 -0.000 0.246) 0.424 19.124 ( 0.144 -0.000 -1.152) 1.161 19.213 ( -0.981 0.000 1.309) 1.636 19.348 ( 0.154 -0.000 -0.260) 0.302 21.523 ( 0.011 -0.000 0.339) 0.339 21.548 ( -0.353 0.000 0.679) 0.765 21.800 ( 0.352 -0.000 1.277) 1.324 22.005 ( -0.261 0.000 -1.196) 1.224 24.450 ( 0.017 -0.000 -0.325) 0.325 24.473 ( 0.131 -0.000 0.727) 0.739 24.493 ( -5.117 0.000 -0.921) 5.200 24.527 ( -3.772 0.000 0.351) 3.788 32.311 ( -0.660 0.000 -0.478) 0.815 32.350 ( 1.033 -0.000 1.159) 1.552 32.398 ( 0.897 -0.000 -0.153) 0.910 32.521 ( 0.092 -0.000 -1.569) 1.572 41.300 ( -3.140 0.000 -4.101) 5.166 41.582 ( 2.653 -0.000 -6.908) 7.400 41.835 ( -6.914 0.000 5.619) 8.909 42.544 ( 171.355 -0.000 -1.419) 171.361 44.902 ( -1.562 0.000 -2.412) 2.874 45.109 ( -6.204 0.000 -5.261) 8.135 45.321 ( -37.975 0.000 2.822) 38.080 45.330 ( 3.321 -0.000 3.748) 5.008 ======================= Grid point 68 (23/129) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 15.229 -9.245 14.279) 22.831 0.912 ( 13.147 -10.498 17.999) 24.638 1.325 ( 19.614 -28.654 11.890) 36.703 1.844 ( -1.281 -0.661 2.782) 3.133 1.882 ( 9.260 -2.179 -0.562) 9.530 2.141 ( 4.543 0.876 3.439) 5.765 2.196 ( -3.648 -1.602 4.906) 6.320 2.462 ( 3.007 -9.103 -4.077) 10.417 2.603 ( 8.821 -12.531 -5.673) 16.340 2.802 ( 0.983 7.613 -4.246) 8.773 2.875 ( 3.700 1.650 -1.921) 4.483 3.125 ( 3.751 -13.767 -3.872) 14.785 3.429 ( 0.758 0.563 -1.030) 1.397 3.603 ( -2.600 -0.590 -2.574) 3.706 3.883 ( 0.664 -4.283 0.609) 4.376 3.980 ( -5.127 -2.595 -3.218) 6.586 4.093 ( 0.187 -2.321 -2.896) 3.716 4.295 ( -0.202 0.171 2.587) 2.600 4.360 ( -0.925 -1.434 -2.891) 3.357 4.874 ( 13.501 7.837 -4.059) 16.130 4.955 ( -11.510 11.906 7.528) 18.190 5.217 ( 4.097 -3.950 1.016) 5.781 5.366 ( -1.559 2.633 -0.901) 3.190 5.663 ( 3.346 -4.143 1.292) 5.480 6.064 ( 1.790 -0.522 3.340) 3.825 6.254 ( 4.611 -2.550 -0.717) 5.318 6.433 ( -3.435 0.470 0.908) 3.584 6.605 ( 3.566 -10.480 -3.836) 11.716 6.698 ( -9.682 -4.362 8.669) 13.708 7.087 ( 1.828 -1.474 2.463) 3.403 7.143 ( -0.914 -3.381 2.606) 4.366 7.885 ( 0.235 -12.217 0.721) 12.240 8.302 ( -1.780 -0.102 -0.765) 1.940 9.365 ( 1.783 4.225 -0.028) 4.586 9.515 ( -5.237 4.031 -6.066) 8.971 9.941 ( 13.478 -2.138 -15.227) 20.447 19.035 ( 0.315 -0.830 0.443) 0.992 19.131 ( -0.107 -1.324 -1.415) 1.941 19.210 ( -0.823 -0.423 1.132) 1.462 19.345 ( 0.708 1.591 0.034) 1.742 21.511 ( -1.914 1.700 0.520) 2.612 21.534 ( -0.910 0.152 0.498) 1.048 21.772 ( -1.252 3.146 1.373) 3.653 21.968 ( -1.851 1.921 -1.686) 3.156 24.436 ( -0.693 0.393 0.748) 1.093 24.453 ( -0.170 -0.483 -0.468) 0.694 24.485 ( -0.163 -0.603 0.814) 1.026 24.516 ( -0.235 -0.193 -0.180) 0.353 32.305 ( -0.359 -0.472 -0.184) 0.621 32.374 ( -1.260 0.602 1.314) 1.918 32.379 ( 1.538 -0.027 1.304) 2.016 32.518 ( 0.882 0.110 -1.876) 2.076 41.208 ( -4.300 1.222 -5.457) 7.054 41.563 ( -1.941 0.339 -6.221) 6.526 41.709 ( -4.948 6.178 2.456) 8.288 42.569 ( 16.967 78.909 23.230) 83.989 44.979 ( 0.749 -5.272 -1.944) 5.669 45.195 ( -1.523 -10.561 1.107) 10.727 45.298 ( 11.465 7.586 2.513) 13.976 46.370 ( 18.989 -77.218 -46.628) 92.181 ======================= Grid point 69 (24/129) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 11.189 -6.545 14.268) 19.277 1.270 ( 8.477 -10.455 11.326) 17.591 1.642 ( -2.912 -2.764 3.794) 5.524 1.880 ( -0.576 1.646 -3.439) 3.856 2.085 ( 6.573 -1.975 1.068) 6.945 2.211 ( 3.885 -2.248 1.555) 4.750 2.272 ( 7.652 -6.354 8.418) 13.030 2.645 ( 2.500 -10.266 -1.326) 10.649 2.747 ( 4.108 -1.077 -2.847) 5.113 2.792 ( -2.946 -4.494 -8.717) 10.240 3.115 ( 21.274 -12.633 1.302) 24.776 3.400 ( 0.553 -0.690 -5.666) 5.735 3.444 ( 10.315 -17.680 0.651) 20.479 3.626 ( 1.354 -3.518 -1.190) 3.953 3.878 ( -4.071 -1.591 -1.911) 4.770 3.969 ( -1.350 -2.023 0.946) 2.609 4.115 ( 0.873 -2.610 -3.538) 4.482 4.286 ( -1.332 0.595 1.493) 2.087 4.412 ( 2.672 -7.061 -3.194) 8.197 4.746 ( -3.832 8.377 4.790) 10.382 4.914 ( 5.819 3.720 -2.806) 7.455 5.286 ( 0.805 1.044 0.024) 1.319 5.383 ( 4.635 -4.045 -1.796) 6.409 5.718 ( 1.725 2.564 1.881) 3.618 6.134 ( 3.179 -0.516 3.301) 4.612 6.309 ( -0.242 1.343 0.520) 1.460 6.458 ( 4.340 -5.551 -0.178) 7.048 6.703 ( -1.705 -1.947 5.295) 5.893 6.713 ( 1.652 -3.249 -2.247) 4.282 7.166 ( 2.952 -1.941 3.240) 4.793 7.222 ( -1.375 -9.195 2.918) 9.744 8.023 ( 0.336 -7.303 -1.139) 7.399 8.306 ( 0.340 -3.276 0.114) 3.295 9.251 ( -9.100 9.900 -2.056) 13.603 9.368 ( -0.192 2.496 -2.672) 3.662 10.009 ( 5.527 -0.244 -10.979) 12.294 19.061 ( 0.387 -1.570 0.538) 1.704 19.136 ( -0.112 -1.039 -1.475) 1.808 19.212 ( -0.651 -0.571 1.050) 1.361 19.327 ( 0.498 2.670 0.741) 2.815 21.432 ( -4.062 3.081 -0.394) 5.114 21.519 ( -1.331 0.542 0.761) 1.626 21.722 ( -0.816 2.655 0.611) 2.844 21.906 ( -1.239 2.249 -1.230) 2.847 24.436 ( 0.501 0.235 0.325) 0.642 24.455 ( -0.128 -0.652 -0.777) 1.023 24.492 ( -0.066 0.033 0.666) 0.670 24.518 ( 0.094 -0.435 0.120) 0.461 32.308 ( -0.042 -0.429 0.001) 0.431 32.356 ( -1.083 0.223 1.229) 1.653 32.424 ( 2.166 -1.127 1.006) 2.641 32.517 ( 0.586 0.253 -2.015) 2.114 41.101 ( -4.565 0.853 -5.178) 6.955 41.407 ( -7.725 5.952 -1.605) 9.883 41.636 ( 0.352 1.007 -5.706) 5.805 42.115 ( 6.152 36.643 19.783) 42.094 45.010 ( -0.030 -2.166 -3.231) 3.890 45.297 ( -5.109 -6.008 5.855) 9.822 45.458 ( 14.079 -3.283 0.983) 14.490 47.014 ( 8.166 -34.105 -30.941) 46.767 ======================= Grid point 70 (25/129) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 3.502 -0.427 13.290) 13.750 1.505 ( 0.996 -2.432 3.284) 4.207 1.667 ( 0.221 -7.016 6.948) 9.877 1.750 ( -2.814 7.062 -6.409) 9.943 2.195 ( 4.242 -1.574 -0.005) 4.525 2.261 ( 0.364 -0.423 0.088) 0.565 2.434 ( 3.233 1.123 2.048) 3.989 2.735 ( -5.805 -7.235 -3.243) 9.827 2.793 ( 4.663 -4.104 4.239) 7.520 2.860 ( 4.593 -4.592 -0.777) 6.541 3.337 ( 4.415 0.787 -7.322) 8.586 3.551 ( 4.296 -5.223 -0.249) 6.768 3.700 ( -0.610 -5.976 -1.444) 6.178 3.738 ( 6.768 -10.156 -0.465) 12.214 3.896 ( 2.595 -2.879 0.378) 3.894 3.959 ( -1.635 -0.452 0.055) 1.697 4.153 ( 1.023 -2.035 0.597) 2.355 4.309 ( 5.171 -0.713 0.388) 5.234 4.506 ( 0.172 -2.748 -1.780) 3.279 4.674 ( -2.483 -2.059 1.564) 3.584 4.957 ( 5.671 -0.259 -1.768) 5.945 5.279 ( 2.432 2.101 -2.065) 3.820 5.495 ( 2.425 -4.762 -1.656) 5.595 5.687 ( 1.636 6.120 1.649) 6.546 6.166 ( 0.162 2.514 3.040) 3.948 6.288 ( -0.704 -0.353 0.390) 0.878 6.608 ( 4.162 -3.444 1.604) 5.635 6.736 ( 0.558 -0.065 0.032) 0.563 6.754 ( 2.076 -2.047 2.432) 3.796 7.229 ( 0.738 -1.627 1.122) 2.109 7.379 ( -0.239 -13.078 5.846) 14.327 8.063 ( 2.527 1.776 -1.674) 3.513 8.396 ( 0.478 -7.865 1.178) 7.967 8.941 ( -11.580 10.956 -0.335) 15.945 9.342 ( 0.874 1.375 -1.670) 2.333 10.011 ( 2.998 0.448 -9.497) 9.969 19.080 ( -0.178 -0.649 -0.328) 0.748 19.145 ( 0.384 -1.258 -0.811) 1.546 19.218 ( -0.399 -0.853 0.976) 1.356 19.301 ( 0.129 2.905 1.375) 3.216 21.339 ( -2.862 2.156 -0.535) 3.623 21.492 ( -1.308 0.818 0.475) 1.614 21.692 ( -0.137 1.112 0.041) 1.121 21.871 ( 0.005 1.191 -0.250) 1.217 24.441 ( 0.132 0.082 0.203) 0.255 24.460 ( 0.393 -0.538 -0.580) 0.884 24.489 ( -0.331 0.171 0.025) 0.374 24.530 ( 0.362 -0.281 0.838) 0.955 32.313 ( 0.244 -0.014 0.149) 0.287 32.347 ( -0.782 0.019 0.811) 1.127 32.475 ( 1.760 -1.413 0.502) 2.312 32.503 ( -0.347 0.586 -2.226) 2.327 40.991 ( -5.713 0.345 -6.638) 8.765 41.251 ( -4.688 1.715 -1.625) 5.249 41.583 ( -0.440 1.605 -7.256) 7.444 41.944 ( 4.987 17.288 12.628) 21.982 45.014 ( 1.917 0.512 -4.145) 4.596 45.305 ( -4.177 -2.055 3.902) 6.074 45.691 ( 5.093 -7.049 3.285) 9.296 47.304 ( 8.633 -14.743 -17.744) 24.632 ======================= Grid point 71 (26/129) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -2.251 7.197 10.358) 12.812 1.497 ( 2.300 3.378 1.191) 4.257 1.562 ( -6.582 5.492 -5.790) 10.344 1.826 ( 0.254 -6.921 4.098) 8.047 2.172 ( -5.975 2.399 -4.180) 7.677 2.273 ( 0.500 -2.878 2.982) 4.175 2.440 ( 1.933 1.690 -0.659) 2.650 2.738 ( -5.844 -4.232 -1.063) 7.293 2.943 ( 0.791 -3.277 1.170) 3.568 2.971 ( 8.472 -0.534 9.470) 12.718 3.353 ( 4.498 0.204 -7.908) 9.100 3.556 ( -3.843 -2.094 -3.752) 5.764 3.682 ( -5.151 0.018 -0.665) 5.194 3.881 ( 3.112 2.401 -0.978) 4.050 3.914 ( -0.498 1.524 0.403) 1.653 3.996 ( 1.973 -4.624 1.289) 5.191 4.198 ( -0.874 -2.934 3.057) 4.326 4.376 ( 4.144 4.163 -0.530) 5.898 4.476 ( -0.499 4.239 -2.125) 4.768 4.717 ( -4.310 -8.009 1.875) 9.286 5.032 ( 2.577 -1.379 0.287) 2.937 5.269 ( 1.851 2.497 -3.939) 5.018 5.536 ( 0.227 -0.121 -0.697) 0.743 5.638 ( 1.460 6.241 -0.576) 6.435 6.130 ( -1.136 2.965 2.656) 4.139 6.293 ( -0.378 -0.253 0.949) 1.053 6.638 ( -2.596 0.419 0.470) 2.671 6.740 ( 1.066 1.252 -1.186) 2.028 6.811 ( 0.771 -0.419 2.862) 2.993 7.242 ( -2.255 -1.706 -0.046) 2.828 7.581 ( -2.474 -10.045 10.234) 14.552 8.097 ( 10.305 4.410 2.659) 11.519 8.504 ( -0.836 -7.079 -0.261) 7.133 8.691 ( -6.546 4.309 0.039) 7.837 9.336 ( 0.485 -0.346 -1.534) 1.645 9.991 ( 2.287 0.165 -10.010) 10.269 19.071 ( -0.285 0.513 -1.370) 1.490 19.162 ( 0.160 -0.559 0.109) 0.591 19.238 ( 0.231 -1.720 0.832) 1.924 19.272 ( -0.333 2.461 1.676) 2.996 21.307 ( 0.371 -0.572 0.087) 0.687 21.476 ( -0.003 0.141 -0.055) 0.151 21.687 ( 0.087 -0.181 0.124) 0.236 21.869 ( 0.792 0.077 0.257) 0.836 24.441 ( -0.296 -0.233 0.157) 0.408 24.472 ( 0.644 -0.248 -0.396) 0.796 24.482 ( -0.239 0.053 -0.103) 0.266 24.542 ( 0.211 -0.008 1.279) 1.297 32.315 ( 0.254 0.514 -0.020) 0.574 32.342 ( -0.398 0.091 0.873) 0.964 32.467 ( -1.460 0.925 -2.250) 2.837 32.512 ( 0.959 -1.099 -0.352) 1.501 40.851 ( -7.671 -1.087 -11.962) 14.252 41.212 ( -1.938 -3.139 -0.534) 3.728 41.526 ( 1.115 1.813 -5.271) 5.685 41.900 ( 3.442 8.353 7.338) 11.639 45.006 ( 3.359 2.794 -5.000) 6.640 45.282 ( -4.927 -1.923 2.876) 6.020 45.785 ( -3.840 -2.679 3.572) 5.889 47.483 ( 11.873 -2.053 -10.650) 16.082 ======================= Grid point 72 (27/129) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -10.344 12.092 7.084) 17.418 1.298 ( -5.454 11.936 -4.900) 14.008 1.577 ( 3.471 -1.209 4.028) 5.453 1.861 ( -1.286 0.830 -1.050) 1.856 2.055 ( -4.207 0.643 -0.912) 4.353 2.325 ( -1.808 -2.020 5.102) 5.778 2.436 ( -4.680 -1.469 1.048) 5.016 2.641 ( -4.655 3.785 -3.082) 6.745 2.917 ( -5.647 1.587 -1.869) 6.156 3.126 ( 4.091 1.913 7.270) 8.559 3.324 ( -2.714 4.250 -5.425) 7.407 3.503 ( -1.278 2.210 -0.307) 2.571 3.591 ( -4.831 -1.057 -1.121) 5.071 3.810 ( 1.225 10.812 0.784) 10.909 3.878 ( -2.056 2.279 -1.353) 3.355 4.079 ( 0.768 -3.682 2.880) 4.737 4.225 ( -3.345 -2.379 3.231) 5.224 4.305 ( 2.562 11.447 -1.776) 11.864 4.429 ( -1.225 -2.990 -2.799) 4.274 4.670 ( -9.808 0.980 -0.352) 9.863 5.104 ( 0.915 -4.651 5.834) 7.517 5.223 ( -0.100 2.034 -4.608) 5.038 5.468 ( -0.804 10.323 -2.512) 10.655 5.587 ( 1.019 0.575 -3.054) 3.270 6.088 ( -1.557 2.764 1.835) 3.665 6.295 ( -0.142 0.078 1.480) 1.488 6.551 ( -4.258 3.625 -2.140) 5.987 6.702 ( -1.371 3.324 -0.580) 3.642 6.865 ( 2.282 -2.685 4.561) 5.763 7.213 ( -4.471 -1.612 -0.322) 4.764 7.615 ( -8.175 -0.151 11.441) 14.062 8.242 ( 11.185 8.341 12.026) 18.419 8.473 ( -5.642 1.587 4.201) 7.211 8.770 ( 6.876 -16.137 -10.031) 20.207 9.350 ( 0.691 -1.794 -1.375) 2.363 9.964 ( 1.955 0.018 -11.905) 12.064 19.050 ( -0.034 1.034 -1.387) 1.730 19.163 ( -0.209 0.374 0.305) 0.526 19.247 ( -0.817 1.533 1.659) 2.402 19.276 ( 0.919 -1.968 0.752) 2.299 21.360 ( 3.000 -2.764 0.740) 4.146 21.488 ( 1.136 -0.746 -0.540) 1.463 21.699 ( 0.271 -1.195 0.370) 1.280 21.893 ( 1.537 -1.022 0.072) 1.847 24.442 ( -0.417 -0.516 0.374) 0.762 24.469 ( -0.311 0.069 -0.634) 0.710 24.491 ( 0.804 -0.209 0.097) 0.836 24.551 ( -0.068 -0.031 1.841) 1.842 32.305 ( -0.234 0.846 -0.492) 1.006 32.342 ( 0.154 0.553 1.279) 1.402 32.417 ( -1.967 0.961 -1.900) 2.899 32.527 ( 0.180 -0.595 -1.118) 1.279 40.661 ( -11.007 -2.651 -19.091) 22.196 41.249 ( -0.796 -5.086 -0.081) 5.149 41.522 ( 3.467 0.766 -2.316) 4.239 41.887 ( 1.586 4.284 4.150) 6.172 44.982 ( 4.155 4.754 -5.562) 8.414 45.252 ( -4.952 -2.189 2.896) 6.140 45.695 ( -11.041 1.912 3.089) 11.623 47.575 ( 15.970 10.450 -10.791) 21.925 ======================= Grid point 73 (28/129) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -12.877 13.440 8.732) 20.560 1.002 ( -11.014 15.762 2.595) 19.403 1.643 ( 1.633 4.010 2.115) 4.819 1.812 ( -0.536 3.383 -0.330) 3.441 1.999 ( -2.286 2.118 0.943) 3.256 2.174 ( -17.954 11.084 -2.762) 21.280 2.314 ( -5.126 4.637 4.874) 8.458 2.598 ( 1.141 -1.039 -1.321) 2.032 2.738 ( -7.953 3.564 -6.099) 10.637 3.049 ( -8.953 7.476 1.417) 11.750 3.139 ( -6.914 7.684 1.093) 10.394 3.404 ( -4.442 9.685 3.527) 11.224 3.575 ( -3.561 -1.761 0.934) 4.081 3.678 ( -2.964 2.508 -2.241) 4.483 3.860 ( 7.199 5.130 3.420) 9.478 4.125 ( 1.680 7.640 2.326) 8.161 4.168 ( -1.430 -2.393 -3.364) 4.369 4.244 ( -1.830 0.717 0.776) 2.113 4.424 ( -0.870 0.970 -2.651) 2.954 4.533 ( -7.662 -5.355 -2.662) 9.720 5.167 ( -4.447 -2.585 3.689) 6.330 5.241 ( 3.100 -2.052 1.528) 4.020 5.292 ( -1.620 6.326 -3.918) 7.616 5.580 ( 3.189 2.688 -4.673) 6.264 6.046 ( -1.461 1.457 2.176) 2.999 6.280 ( -1.017 2.579 -1.386) 3.099 6.450 ( -1.446 2.602 1.020) 3.147 6.622 ( -1.038 5.615 -0.250) 5.716 6.981 ( 3.093 -4.421 4.075) 6.761 7.159 ( -5.096 -1.064 -0.019) 5.206 7.538 ( -10.384 -1.169 10.618) 14.897 8.319 ( 9.260 11.229 17.487) 22.752 8.419 ( -5.048 -1.086 4.232) 6.676 9.030 ( 5.358 -14.597 -13.378) 20.512 9.398 ( 3.525 -2.944 -1.521) 4.838 9.890 ( 0.214 3.893 -16.839) 17.285 19.030 ( 0.099 1.171 -0.777) 1.409 19.154 ( 0.046 0.871 0.144) 0.884 19.228 ( -1.048 0.541 1.629) 2.011 19.317 ( 1.067 -1.425 0.661) 1.899 21.450 ( 3.171 -2.755 0.992) 4.316 21.514 ( 1.051 -1.116 -0.935) 1.796 21.730 ( 0.672 -2.035 0.247) 2.157 21.939 ( 2.301 -1.931 -0.738) 3.093 24.447 ( -0.393 -0.837 0.668) 1.141 24.461 ( -0.299 0.059 -0.557) 0.635 24.504 ( 0.714 -0.140 -0.241) 0.766 24.565 ( -0.366 -1.057 2.775) 2.992 32.285 ( -0.504 0.795 -0.179) 0.959 32.342 ( 0.344 1.120 1.087) 1.598 32.373 ( -1.477 0.748 -0.666) 1.785 32.525 ( -0.066 -0.333 -1.574) 1.610 40.388 ( -14.161 -0.459 -21.444) 25.702 41.304 ( -0.542 -4.494 -0.415) 4.546 41.565 ( 4.265 0.582 -1.629) 4.602 41.879 ( -0.150 1.377 3.245) 3.528 44.944 ( 4.101 5.746 -5.156) 8.742 45.234 ( -3.755 -2.238 3.743) 5.755 45.486 ( -14.032 3.078 1.806) 14.478 47.510 ( 20.095 28.698 -23.845) 42.379 ======================= Grid point 74 (29/129) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -14.192 9.749 14.557) 22.547 0.626 ( -6.656 20.736 15.109) 26.506 1.170 ( -31.341 33.945 8.252) 46.932 1.812 ( 0.851 0.112 -1.451) 1.686 1.868 ( -4.467 2.960 -1.873) 5.677 2.004 ( 2.770 -0.484 -0.384) 2.838 2.173 ( -0.537 9.355 2.101) 9.603 2.566 ( -3.650 0.383 -5.133) 6.310 2.593 ( -6.385 4.474 1.819) 8.006 2.881 ( -2.864 -0.411 -1.362) 3.198 2.968 ( -7.866 1.141 1.001) 8.011 3.183 ( -6.652 11.374 1.263) 13.237 3.542 ( -7.185 -5.227 0.363) 8.892 3.691 ( 1.763 -4.495 -0.060) 4.829 3.874 ( 2.633 9.176 0.075) 9.546 4.055 ( 3.319 6.276 -0.742) 7.138 4.141 ( -1.352 2.223 -1.030) 2.798 4.247 ( -1.730 -3.226 2.495) 4.430 4.399 ( 0.411 0.387 -1.664) 1.758 4.530 ( -0.534 -5.606 -2.196) 6.045 5.137 ( 0.733 5.996 -3.357) 6.911 5.192 ( -5.234 -10.130 1.180) 11.463 5.388 ( 0.914 -6.490 5.543) 8.583 5.562 ( 5.298 5.472 -3.524) 8.392 6.034 ( -0.988 -0.185 3.317) 3.466 6.207 ( -0.356 3.164 -2.466) 4.027 6.453 ( 1.482 0.434 2.471) 2.914 6.533 ( 0.311 6.806 -0.315) 6.820 7.071 ( -0.990 -1.889 1.416) 2.559 7.114 ( -1.010 -0.386 1.511) 1.858 7.504 ( -16.027 -16.165 7.021) 23.822 8.379 ( -7.512 -1.390 -1.611) 7.807 8.403 ( -8.383 0.261 -3.595) 9.126 9.078 ( 5.912 4.182 -6.278) 9.585 9.492 ( 7.642 4.047 -3.783) 9.439 9.645 ( -0.021 14.066 -14.913) 20.500 19.018 ( 0.388 0.661 0.293) 0.821 19.143 ( 0.430 1.494 -0.710) 1.710 19.220 ( -0.958 0.025 1.643) 1.903 19.345 ( 0.362 -0.661 0.137) 0.766 21.516 ( 1.040 -1.527 0.201) 1.859 21.533 ( 0.494 -0.880 -0.363) 1.073 21.766 ( 0.590 -1.937 0.069) 2.026 21.990 ( 1.971 -1.533 -1.478) 2.902 24.453 ( -0.101 0.079 -0.355) 0.377 24.460 ( -0.324 -1.082 0.720) 1.340 24.510 ( 0.359 -0.023 -0.657) 0.749 24.595 ( -2.834 -3.984 0.801) 4.955 32.294 ( 1.889 -1.267 2.891) 3.678 32.332 ( -0.420 0.496 -0.365) 0.746 32.356 ( 0.825 1.303 1.878) 2.429 32.522 ( 0.167 -0.441 -1.456) 1.531 40.263 ( 23.571 -1.170 25.813) 34.975 41.333 ( -1.584 -2.733 -1.492) 3.494 41.590 ( 3.856 1.909 -4.819) 6.460 41.880 ( -2.072 0.047 5.078) 5.485 44.906 ( 2.520 3.207 -3.375) 5.294 45.246 ( -2.743 -3.307 4.687) 6.359 45.272 ( -10.206 2.305 -0.626) 10.482 46.915 ( 3.616 72.935 -57.118) 92.710 ======================= Grid point 76 (30/129) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 20.137 -0.000 10.461) 22.692 1.214 ( 19.258 -0.000 9.484) 21.466 1.466 ( 17.697 -0.000 12.356) 21.584 1.816 ( 1.790 -0.000 3.014) 3.505 2.075 ( 14.863 -0.000 -2.637) 15.095 2.178 ( -0.719 0.000 6.607) 6.646 2.263 ( 8.948 -0.000 5.598) 10.555 2.532 ( 13.009 -0.000 -5.086) 13.968 2.542 ( 4.650 -0.000 -11.011) 11.953 2.899 ( 3.444 -0.000 -4.704) 5.830 3.005 ( 11.620 -0.000 1.768) 11.754 3.008 ( 6.239 -0.000 -4.434) 7.654 3.457 ( 0.254 -0.000 0.591) 0.643 3.545 ( -1.915 0.000 0.290) 1.937 3.847 ( -6.030 0.000 -8.207) 10.184 3.914 ( 5.985 -0.000 -0.311) 5.993 4.077 ( -0.507 0.000 1.238) 1.338 4.291 ( -0.527 0.000 -0.320) 0.617 4.314 ( -1.524 0.000 -1.575) 2.192 4.844 ( -7.735 0.000 2.672) 8.184 5.105 ( 4.087 -0.000 -4.112) 5.797 5.252 ( 3.115 -0.000 1.293) 3.373 5.381 ( 3.648 -0.000 -4.564) 5.843 5.724 ( 5.815 -0.000 7.944) 9.845 6.120 ( 4.220 -0.000 3.239) 5.319 6.311 ( 6.022 -0.000 -0.841) 6.080 6.432 ( -2.498 0.000 -0.299) 2.516 6.507 ( 2.107 -0.000 3.552) 4.130 6.717 ( 2.904 -0.000 3.893) 4.857 7.118 ( -0.985 0.000 2.710) 2.883 7.132 ( 2.645 -0.000 2.776) 3.835 7.876 ( 4.417 -0.000 4.960) 6.641 8.285 ( 1.138 -0.000 -2.774) 2.998 9.395 ( -9.995 0.000 -6.979) 12.191 9.402 ( 0.247 -0.000 0.117) 0.273 10.025 ( 10.470 -0.000 -15.548) 18.745 19.038 ( 0.657 -0.000 0.683) 0.948 19.118 ( 0.362 -0.000 -1.634) 1.674 19.204 ( -0.517 0.000 1.358) 1.454 19.369 ( 0.821 -0.000 -0.058) 0.823 21.489 ( -3.628 0.000 -0.295) 3.640 21.515 ( -1.614 0.000 1.130) 1.971 21.760 ( -3.797 0.000 1.581) 4.113 21.930 ( -3.594 0.000 -1.159) 3.776 24.439 ( 0.564 -0.000 0.197) 0.597 24.442 ( -0.461 0.000 -0.273) 0.536 24.497 ( 0.874 -0.000 1.197) 1.482 24.509 ( -0.316 0.000 -0.295) 0.433 32.301 ( 0.208 -0.000 0.216) 0.300 32.366 ( -1.186 0.000 1.130) 1.638 32.402 ( 1.462 -0.000 0.932) 1.733 32.519 ( 0.585 -0.000 -2.122) 2.201 41.108 ( -5.392 0.000 -6.652) 8.563 41.466 ( -8.166 0.000 -5.536) 9.866 41.663 ( -2.545 0.000 -3.857) 4.621 43.032 ( -28.864 0.000 15.292) 32.664 44.913 ( -5.127 0.000 -6.054) 7.933 44.954 ( -2.392 0.000 2.737) 3.635 45.564 ( 12.251 -0.000 2.756) 12.557 46.355 ( 52.219 -0.000 -25.968) 58.319 ======================= Grid point 77 (31/129) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 8.513 5.147 11.364) 15.103 1.412 ( 14.493 -0.918 5.848) 15.656 1.630 ( -0.997 0.113 10.276) 10.325 1.926 ( 6.619 4.348 -3.272) 8.569 2.176 ( 1.943 -0.714 -4.570) 5.017 2.278 ( 8.908 0.573 5.199) 10.330 2.480 ( 16.804 1.542 2.111) 17.006 2.618 ( 9.348 -5.784 -1.966) 11.167 2.648 ( 0.448 -0.076 -6.691) 6.706 2.842 ( 3.348 6.190 -1.057) 7.116 3.282 ( 8.096 -12.712 -6.641) 16.469 3.313 ( 23.261 -9.416 2.734) 25.243 3.450 ( 1.248 -2.107 2.536) 3.525 3.574 ( -0.341 -3.587 -3.366) 4.930 3.754 ( -1.801 -4.468 -5.385) 7.225 3.997 ( 1.871 1.846 3.403) 4.299 4.087 ( 1.984 -3.169 0.483) 3.769 4.258 ( -2.249 0.750 0.473) 2.418 4.358 ( 2.312 -6.056 -1.443) 6.641 4.753 ( -2.446 2.998 -1.120) 4.028 5.085 ( 4.291 6.604 -2.736) 8.338 5.311 ( 2.471 -0.941 1.083) 2.857 5.416 ( 4.926 0.058 -3.881) 6.271 5.824 ( 4.059 3.526 6.486) 8.425 6.203 ( 4.327 0.706 2.661) 5.129 6.339 ( -2.730 4.160 0.118) 4.978 6.442 ( 5.480 -7.078 -0.218) 8.955 6.635 ( 3.576 -6.015 2.851) 7.557 6.767 ( 1.673 1.086 2.612) 3.287 7.155 ( 1.831 -3.565 2.305) 4.623 7.178 ( -0.174 -1.674 1.724) 2.409 8.003 ( 4.315 -3.766 6.228) 8.461 8.311 ( 4.847 0.087 -3.052) 5.729 9.164 ( -12.474 4.666 -5.317) 14.340 9.393 ( 0.252 1.684 -0.428) 1.756 10.066 ( 8.049 2.358 -12.530) 15.078 19.061 ( 1.149 -0.553 0.834) 1.524 19.117 ( 0.287 -0.655 -1.683) 1.828 19.207 ( -0.395 -0.155 1.485) 1.545 19.366 ( 0.293 1.637 0.282) 1.686 21.410 ( -3.896 2.619 -0.739) 4.752 21.499 ( -2.076 -0.456 1.036) 2.365 21.704 ( -4.364 0.103 1.038) 4.487 21.872 ( -3.710 -0.574 -0.563) 3.796 24.435 ( -0.675 -0.348 -0.183) 0.781 24.452 ( 1.020 -0.075 -0.138) 1.032 24.499 ( -0.269 0.414 -0.123) 0.509 24.521 ( 0.783 -0.361 1.120) 1.414 32.311 ( 0.673 -0.103 0.522) 0.858 32.355 ( -0.483 0.529 0.864) 1.122 32.435 ( 1.249 -1.312 0.466) 1.870 32.509 ( -0.322 0.060 -2.343) 2.365 40.994 ( -5.732 -0.032 -6.086) 8.361 41.288 ( -9.616 0.821 -6.837) 11.827 41.614 ( -0.517 0.718 -5.520) 5.590 42.568 ( -14.758 23.473 14.736) 31.400 44.893 ( -5.757 -9.866 -5.278) 12.583 44.983 ( -8.148 -11.014 3.211) 14.072 45.757 ( 17.364 4.912 2.442) 18.210 46.962 ( 36.273 -8.880 -18.538) 41.692 ======================= Grid point 78 (32/129) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 4.681 2.295 6.337) 8.206 1.568 ( 2.363 3.438 8.245) 9.240 1.695 ( 3.618 -1.598 6.704) 7.784 1.850 ( 5.758 12.976 -6.631) 15.668 2.187 ( -0.591 -3.308 -0.819) 3.459 2.371 ( 6.158 10.218 -0.738) 11.953 2.556 ( -3.392 -2.788 0.986) 4.500 2.598 ( 2.927 2.758 -0.469) 4.049 2.842 ( 7.268 -2.236 -3.586) 8.407 2.923 ( 12.763 -2.225 6.506) 14.497 3.355 ( 3.795 0.037 -6.564) 7.583 3.500 ( -1.580 -2.233 -7.638) 8.113 3.573 ( -3.352 -5.947 -2.367) 7.225 3.760 ( 12.550 -7.244 2.243) 14.663 3.885 ( 5.867 -6.292 -0.030) 8.603 3.978 ( 0.715 2.352 2.034) 3.190 4.183 ( 1.674 1.376 2.473) 3.288 4.309 ( 4.526 -10.014 4.611) 11.917 4.464 ( 0.474 -5.438 0.220) 5.463 4.688 ( 3.672 5.736 -4.906) 8.394 5.064 ( 4.880 4.229 -2.123) 6.798 5.340 ( 2.722 2.307 -0.954) 3.693 5.479 ( 2.765 -2.466 -1.097) 3.863 5.826 ( 2.999 7.214 3.590) 8.598 6.230 ( 0.694 4.152 3.122) 5.241 6.271 ( -1.345 -0.600 -0.671) 1.618 6.603 ( 2.173 -5.004 0.593) 5.487 6.751 ( 2.435 -0.215 -0.259) 2.458 6.775 ( 0.293 -1.230 5.590) 5.731 7.184 ( -3.103 -2.389 -0.360) 3.932 7.299 ( 6.362 -8.159 1.340) 10.433 8.139 ( 2.944 -2.893 8.034) 9.032 8.386 ( 8.072 0.339 -2.692) 8.515 8.887 ( -11.715 7.099 -1.725) 13.806 9.365 ( 0.197 2.174 -1.280) 2.531 10.065 ( 6.787 4.316 -10.472) 13.204 19.081 ( 0.888 0.305 -0.561) 1.093 19.133 ( 0.857 -1.428 -0.259) 1.685 19.212 ( -0.400 -0.373 1.453) 1.552 19.341 ( -0.370 2.437 0.687) 2.559 21.328 ( -1.975 1.976 -0.530) 2.843 21.478 ( -1.744 -0.098 0.475) 1.811 21.657 ( -3.913 -1.664 0.474) 4.278 21.839 ( -3.147 -2.039 0.072) 3.751 24.429 ( -0.771 -0.514 -0.083) 0.930 24.468 ( 1.097 -0.106 -0.137) 1.111 24.488 ( -0.421 0.315 -0.280) 0.596 24.540 ( 0.617 -0.077 1.249) 1.396 32.326 ( 0.939 0.235 0.650) 1.166 32.348 ( -0.163 0.500 0.631) 0.822 32.472 ( 0.774 -1.821 -0.220) 1.991 32.482 ( -1.423 0.287 -2.426) 2.827 40.866 ( -6.773 1.335 -6.609) 9.557 41.143 ( -5.610 -1.945 -6.536) 8.830 41.564 ( -0.809 1.026 -4.591) 4.773 42.235 ( -5.671 16.126 9.929) 19.768 44.910 ( -6.016 -10.003 -5.543) 12.921 45.016 ( -10.939 -12.306 3.481) 16.829 45.928 ( 15.963 9.320 2.651) 18.674 47.419 ( 29.408 -2.584 -12.232) 31.955 ======================= Grid point 79 (33/129) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -7.459 7.638 1.818) 10.829 1.561 ( 4.413 3.820 6.752) 8.925 1.710 ( 8.518 12.458 -3.724) 15.544 1.853 ( 6.178 -0.237 4.354) 7.562 2.211 ( 0.501 11.861 -1.533) 11.970 2.243 ( -1.547 -2.726 3.543) 4.731 2.517 ( -3.198 2.996 0.769) 4.449 2.642 ( 2.363 -0.705 -1.070) 2.688 2.914 ( -0.024 -2.559 -0.779) 2.675 3.157 ( 11.194 0.186 4.909) 12.225 3.394 ( 7.070 0.198 -6.965) 9.926 3.444 ( -2.552 -0.921 -7.146) 7.644 3.566 ( -4.512 -3.360 -0.635) 5.662 3.883 ( 1.019 0.487 1.852) 2.169 3.976 ( 2.115 0.746 0.229) 2.254 4.017 ( 3.941 -0.648 0.958) 4.107 4.181 ( -1.673 0.020 1.969) 2.584 4.422 ( -1.430 2.616 2.290) 3.759 4.569 ( -2.768 -6.903 -0.439) 7.451 4.655 ( 10.709 9.590 -0.863) 14.401 5.076 ( 2.294 1.958 -0.301) 3.030 5.317 ( 0.833 3.941 -2.563) 4.775 5.534 ( 2.004 -1.738 -0.459) 2.692 5.765 ( 1.059 9.194 0.656) 9.278 6.177 ( -1.215 4.251 2.609) 5.134 6.289 ( 0.506 -1.544 0.409) 1.675 6.603 ( -3.436 1.459 0.035) 3.733 6.738 ( -2.760 0.059 0.947) 2.919 6.842 ( 2.157 0.073 4.090) 4.624 7.152 ( -4.895 -2.589 -1.502) 5.737 7.519 ( 5.455 -7.317 2.045) 9.353 8.252 ( 0.413 -3.523 9.328) 9.980 8.518 ( 12.616 -1.222 -3.822) 13.239 8.657 ( -6.708 6.750 2.289) 9.788 9.334 ( -0.016 1.141 -1.953) 2.262 10.046 ( 6.995 5.225 -9.712) 13.060 19.077 ( 0.861 0.975 -1.607) 2.067 19.162 ( 0.662 -0.553 0.735) 1.134 19.228 ( 0.195 -1.365 1.400) 1.965 19.303 ( -0.980 2.431 0.925) 2.780 21.312 ( 1.192 -0.632 0.243) 1.371 21.464 ( -0.950 -0.847 -0.458) 1.353 21.640 ( -3.252 -3.148 0.483) 4.552 21.833 ( -2.611 -3.303 0.114) 4.212 24.425 ( -0.778 -0.632 0.094) 1.007 24.476 ( -0.220 0.313 -0.580) 0.695 24.485 ( 0.825 -0.206 0.148) 0.863 24.553 ( 0.207 0.133 1.214) 1.239 32.329 ( 0.261 0.970 -0.214) 1.027 32.351 ( 0.563 0.200 1.418) 1.539 32.436 ( -2.150 0.558 -2.272) 3.177 32.499 ( 0.181 -1.551 -0.808) 1.758 40.690 ( -7.673 3.511 -8.213) 11.775 41.109 ( -2.056 -5.181 -4.403) 7.104 41.529 ( -0.034 -0.005 -2.279) 2.279 42.062 ( -2.380 9.010 4.920) 10.538 44.918 ( -6.279 -9.633 -5.953) 12.948 45.031 ( -10.011 -10.631 3.403) 14.994 45.969 ( 9.629 15.675 3.050) 18.648 47.756 ( 26.854 3.684 -9.580) 28.749 ======================= Grid point 80 (34/129) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -8.784 13.396 4.547) 16.652 1.562 ( 3.881 13.611 3.685) 14.625 1.694 ( 10.093 7.901 1.362) 12.890 1.945 ( 5.512 3.132 1.224) 6.457 2.074 ( 1.289 6.403 -0.835) 6.584 2.283 ( -4.275 -2.155 5.242) 7.099 2.404 ( -4.856 5.301 -0.140) 7.190 2.654 ( 2.604 1.279 -2.190) 3.635 2.864 ( -5.349 4.095 -1.071) 6.821 3.254 ( 3.664 5.602 1.593) 6.881 3.341 ( -1.817 8.890 -3.483) 9.719 3.458 ( 1.608 -5.639 -7.799) 9.758 3.565 ( 1.818 1.661 3.090) 3.951 3.842 ( -2.802 6.329 -1.777) 7.146 3.979 ( 1.783 1.835 4.117) 4.847 4.074 ( 1.004 -1.494 0.560) 1.885 4.161 ( -3.684 -2.291 2.130) 4.833 4.356 ( -3.117 2.555 0.326) 4.044 4.456 ( -2.144 8.592 -6.705) 11.108 4.662 ( 1.164 9.510 3.384) 10.161 5.096 ( 0.298 -1.887 4.515) 4.903 5.237 ( -1.330 4.397 -3.581) 5.825 5.578 ( 2.864 2.902 -2.388) 4.725 5.617 ( -1.154 8.689 -1.823) 8.953 6.117 ( -1.782 3.562 1.513) 4.261 6.318 ( 1.289 -0.067 1.744) 2.169 6.519 ( -4.024 2.348 -0.785) 4.725 6.698 ( -2.321 1.119 1.870) 3.184 6.893 ( 1.199 -1.572 4.858) 5.245 7.101 ( -5.516 -2.469 -1.624) 6.257 7.595 ( -1.700 2.133 3.540) 4.469 8.321 ( -3.534 -4.006 5.569) 7.717 8.495 ( -6.539 1.501 1.058) 6.792 8.807 ( 20.463 -2.486 -0.037) 20.613 9.324 ( 0.187 -1.480 -1.970) 2.471 10.028 ( 7.983 6.238 -9.846) 14.127 19.067 ( 1.092 1.471 -1.512) 2.375 19.171 ( 0.145 0.381 0.910) 0.997 19.252 ( -1.280 0.526 1.512) 2.049 19.278 ( 0.763 -0.718 0.724) 1.273 21.373 ( 3.205 -2.752 0.926) 4.325 21.467 ( -0.648 -2.002 -1.130) 2.388 21.649 ( -2.309 -4.020 0.345) 4.649 21.851 ( -1.792 -4.510 -0.599) 4.890 24.425 ( -0.731 -0.774 0.341) 1.118 24.466 ( -0.237 0.231 -0.518) 0.615 24.499 ( 0.726 -0.181 0.008) 0.748 24.556 ( -0.301 0.111 1.142) 1.186 32.311 ( -0.382 1.150 -0.469) 1.299 32.365 ( 0.657 0.606 1.624) 1.854 32.389 ( -1.791 0.627 -1.247) 2.270 32.509 ( -0.150 -1.010 -1.369) 1.708 40.478 ( -6.758 6.112 -6.478) 11.180 41.152 ( -0.351 -6.546 -2.999) 7.209 41.544 ( 1.271 -1.684 -0.345) 2.138 41.960 ( -2.070 4.868 0.970) 5.378 44.922 ( -4.744 -8.203 -5.587) 11.000 45.047 ( -8.004 -9.252 2.802) 12.551 45.833 ( 2.756 21.063 3.863) 21.591 47.983 ( 25.095 9.823 -13.830) 30.291 ======================= Grid point 81 (35/129) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -4.987 15.460 12.830) 20.700 1.383 ( 5.529 26.034 5.503) 27.177 1.768 ( 6.570 2.672 3.100) 7.741 1.911 ( 1.246 12.341 -2.831) 12.722 2.054 ( 2.111 3.275 1.503) 4.176 2.112 ( -9.734 12.539 0.149) 15.874 2.317 ( -4.475 1.200 3.913) 6.065 2.680 ( -2.827 4.718 -5.652) 7.886 2.697 ( 6.910 4.181 -1.248) 8.172 3.058 ( -7.719 15.221 0.383) 17.071 3.177 ( -5.353 13.753 2.434) 14.958 3.448 ( -4.337 1.803 -4.000) 6.170 3.548 ( 1.843 7.134 -2.409) 7.752 3.664 ( -3.363 5.060 0.062) 6.076 4.058 ( 5.332 2.661 4.971) 7.760 4.075 ( -4.397 -5.078 -2.616) 7.208 4.163 ( -2.569 -1.765 2.620) 4.072 4.252 ( -2.321 1.168 -6.845) 7.322 4.345 ( 1.098 3.645 0.031) 3.807 4.549 ( 1.557 8.717 1.152) 8.930 5.102 ( -6.688 1.252 4.456) 8.133 5.217 ( 2.644 -4.509 -1.098) 5.341 5.403 ( -0.546 12.392 -3.125) 12.792 5.632 ( 3.702 0.457 -2.896) 4.722 6.062 ( -1.403 2.237 1.851) 3.225 6.326 ( 1.614 4.374 -0.557) 4.696 6.443 ( -2.893 -0.409 1.336) 3.213 6.658 ( -1.392 2.933 2.617) 4.170 6.974 ( -1.383 -5.526 5.020) 7.592 7.046 ( -4.012 -1.649 -1.363) 4.546 7.485 ( -6.139 7.665 2.991) 10.266 8.321 ( -4.951 -2.964 -0.076) 5.770 8.410 ( -4.734 0.631 0.379) 4.791 9.095 ( 13.281 -1.402 0.260) 13.357 9.374 ( 2.037 -6.009 -1.461) 6.511 9.994 ( 8.660 9.294 -11.188) 16.928 19.054 ( 1.030 1.848 -0.766) 2.250 19.172 ( 0.285 0.741 0.743) 1.088 19.225 ( -1.478 0.538 1.418) 2.118 19.314 ( 0.506 -1.604 0.294) 1.708 21.460 ( 2.167 -2.738 1.111) 3.664 21.483 ( -0.357 -2.468 -0.766) 2.608 21.680 ( -1.205 -4.494 -0.395) 4.669 21.893 ( -0.598 -5.463 -1.873) 5.806 24.428 ( -0.709 -0.972 0.639) 1.363 24.458 ( -0.067 0.197 -0.474) 0.518 24.509 ( 0.387 -0.087 -0.231) 0.459 24.553 ( -1.133 -0.167 0.831) 1.415 32.295 ( 0.384 0.785 0.880) 1.240 32.350 ( -0.856 0.915 -0.831) 1.504 32.376 ( -0.041 0.582 2.025) 2.107 32.510 ( 0.140 -0.607 -1.671) 1.783 40.343 ( 4.439 6.182 7.705) 10.830 41.219 ( -0.109 -5.895 -2.701) 6.486 41.589 ( 1.379 -1.809 -0.772) 2.402 41.882 ( -2.771 1.446 -1.096) 3.312 44.943 ( -0.327 -5.231 -4.745) 7.070 45.074 ( -5.876 -8.304 1.694) 10.313 45.576 ( -1.444 22.053 5.349) 22.738 48.022 ( 19.942 19.121 -30.756) 41.343 ======================= Grid point 82 (36/129) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.719 15.858 19.309) 24.996 1.082 ( -4.552 31.039 6.604) 32.059 1.523 ( 3.109 38.815 9.592) 40.103 1.836 ( 1.462 -0.008 3.559) 3.848 1.887 ( 0.594 8.497 -3.199) 9.099 2.074 ( 3.429 1.242 0.327) 3.662 2.253 ( -3.906 1.929 3.523) 5.602 2.601 ( 7.840 8.451 -6.591) 13.279 2.741 ( 2.273 21.172 -2.325) 21.420 2.783 ( -1.856 -2.224 -2.097) 3.576 2.878 ( -10.614 4.423 3.156) 11.924 3.282 ( -1.472 11.746 -1.488) 11.931 3.459 ( -0.636 2.904 -4.017) 4.997 3.640 ( -0.796 -1.104 -1.463) 1.998 3.966 ( -3.201 4.219 -1.134) 5.416 4.105 ( -4.361 1.465 -3.138) 5.568 4.143 ( 0.192 2.434 -1.261) 2.748 4.247 ( 3.224 -0.592 2.946) 4.407 4.373 ( 1.645 -2.253 -1.592) 3.212 4.562 ( 8.360 -2.737 1.720) 8.964 5.009 ( -8.819 -1.761 4.376) 10.001 5.249 ( 1.781 7.186 -1.784) 7.615 5.326 ( 0.648 -4.342 0.801) 4.463 5.655 ( 3.481 1.699 -2.007) 4.362 6.044 ( -0.018 0.897 2.649) 2.797 6.266 ( 1.837 5.315 -1.573) 5.839 6.451 ( -1.610 -1.995 1.734) 3.095 6.622 ( 0.999 3.634 2.785) 4.686 6.947 ( -12.726 -3.750 -0.493) 13.276 7.071 ( 0.808 -1.400 2.489) 2.968 7.273 ( -6.672 10.914 1.271) 12.855 8.176 ( -8.871 9.808 -10.212) 16.709 8.340 ( -3.329 0.798 1.737) 3.839 9.245 ( 6.239 -2.998 1.087) 7.007 9.494 ( 0.660 -8.002 -2.888) 8.533 9.922 ( 11.008 11.422 -12.505) 20.199 19.042 ( 0.723 1.593 0.121) 1.753 19.161 ( -0.365 1.201 -0.522) 1.360 19.218 ( -0.497 0.076 1.537) 1.617 19.327 ( -0.783 -1.246 -0.417) 1.530 21.501 ( -0.031 -1.637 0.428) 1.693 21.520 ( 0.239 -2.088 0.759) 2.235 21.723 ( -0.428 -4.284 -0.132) 4.307 21.947 ( -0.173 -4.839 -2.400) 5.405 24.435 ( -0.938 -1.035 0.872) 1.646 24.455 ( 0.287 0.120 -0.403) 0.509 24.508 ( -0.504 0.274 -0.403) 0.701 24.532 ( -1.828 0.324 0.142) 1.862 32.323 ( 0.008 0.807 0.176) 0.826 32.329 ( 1.815 -0.908 1.813) 2.721 32.376 ( -0.605 0.253 1.826) 1.940 32.513 ( 0.651 -0.370 -1.713) 1.869 40.835 ( 38.325 -27.596 39.284) 61.429 41.258 ( -0.398 -3.575 -3.452) 4.986 41.601 ( 0.423 -0.062 -4.568) 4.588 41.847 ( -2.307 -3.249 0.528) 4.019 44.999 ( 6.238 0.562 -4.104) 7.488 45.107 ( -2.079 -5.607 -0.648) 6.015 45.335 ( -1.907 14.129 8.009) 16.353 47.552 ( 2.917 49.220 -59.244) 77.077 ======================= Grid point 85 (37/129) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 2.736 -0.000 0.350) 2.758 1.561 ( 4.062 -0.000 6.635) 7.780 1.737 ( 3.897 -0.000 15.877) 16.348 2.090 ( 10.191 -0.000 -3.835) 10.888 2.126 ( -2.296 0.000 -7.297) 7.650 2.387 ( 3.268 -0.000 5.013) 5.984 2.536 ( 0.959 -0.000 -4.865) 4.958 2.662 ( 1.693 -0.000 -2.229) 2.799 2.903 ( -2.375 0.000 0.225) 2.386 2.949 ( 22.707 -0.000 4.370) 23.124 3.347 ( 12.941 -0.000 -5.026) 13.883 3.454 ( 4.582 -0.000 4.376) 6.336 3.477 ( -1.483 0.000 -15.904) 15.973 3.595 ( 20.135 -0.000 2.835) 20.334 3.755 ( 9.868 -0.000 1.903) 10.050 4.048 ( -1.671 0.000 3.357) 3.750 4.110 ( 5.309 -0.000 4.434) 6.917 4.270 ( -1.173 0.000 -2.144) 2.444 4.316 ( 2.447 -0.000 1.582) 2.914 4.772 ( 4.310 -0.000 -4.342) 6.118 5.153 ( 1.943 -0.000 -1.865) 2.693 5.358 ( 3.886 -0.000 1.747) 4.261 5.457 ( 3.384 -0.000 -4.309) 5.480 5.944 ( 2.688 -0.000 6.712) 7.231 6.268 ( -0.544 0.000 -4.140) 4.176 6.338 ( 1.093 -0.000 4.408) 4.542 6.454 ( 5.102 -0.000 -0.085) 5.103 6.703 ( 6.970 -0.000 3.591) 7.841 6.788 ( -2.054 0.000 2.856) 3.518 7.147 ( -3.031 0.000 0.178) 3.036 7.204 ( 7.227 -0.000 0.211) 7.230 8.072 ( 2.395 -0.000 7.989) 8.340 8.413 ( 10.077 -0.000 -1.299) 10.160 8.984 ( -12.735 0.000 -3.885) 13.315 9.404 ( 0.242 -0.000 -0.580) 0.628 10.137 ( 8.235 -0.000 -11.826) 14.411 19.087 ( 2.062 -0.000 1.267) 2.421 19.108 ( 0.372 -0.000 -1.757) 1.796 19.208 ( -0.524 0.000 1.616) 1.699 19.377 ( -0.408 0.000 -0.072) 0.414 21.372 ( -3.115 0.000 -1.036) 3.282 21.468 ( -2.267 0.000 0.987) 2.472 21.632 ( -5.881 0.000 1.323) 6.028 21.801 ( -4.611 0.000 -0.311) 4.621 24.421 ( -0.714 0.000 -0.106) 0.722 24.466 ( 1.049 -0.000 -0.036) 1.050 24.493 ( -0.543 0.000 -0.429) 0.692 24.539 ( 0.874 -0.000 1.388) 1.640 32.328 ( 1.172 -0.000 0.914) 1.486 32.360 ( -0.083 0.000 0.555) 0.561 32.440 ( 0.750 -0.000 -0.157) 0.766 32.485 ( -1.285 0.000 -2.452) 2.768 40.887 ( -5.314 0.000 -4.187) 6.765 41.117 ( -7.659 0.000 -9.355) 12.090 41.578 ( -1.410 0.000 -4.634) 4.844 42.519 ( -17.390 0.000 9.572) 19.850 44.664 ( -7.462 0.000 -4.317) 8.621 44.878 ( -4.606 0.000 2.669) 5.323 46.074 ( 19.335 -0.000 3.287) 19.613 47.377 ( 36.594 -0.000 -13.698) 39.074 ======================= Grid point 86 (38/129) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -1.577 0.468 -1.662) 2.338 1.668 ( 4.471 -2.144 3.704) 6.189 1.828 ( 2.883 7.255 10.788) 13.317 2.053 ( 3.239 3.086 -4.904) 6.638 2.166 ( 4.536 2.902 0.656) 5.425 2.454 ( -2.397 -3.307 3.944) 5.678 2.579 ( -0.947 9.866 -0.177) 9.913 2.581 ( 0.794 -7.460 -0.843) 7.550 2.853 ( -3.557 -0.692 -0.301) 3.636 3.159 ( 4.847 0.367 2.084) 5.289 3.369 ( 0.078 -0.608 -15.407) 15.419 3.458 ( 9.627 1.369 2.095) 9.947 3.598 ( 12.459 5.500 -2.273) 13.807 3.857 ( 7.627 -4.158 1.475) 8.811 3.964 ( 9.015 0.329 3.846) 9.806 4.060 ( 6.587 3.719 0.606) 7.589 4.201 ( -2.428 1.132 -1.453) 3.048 4.302 ( 7.265 -9.623 4.596) 12.904 4.413 ( 3.117 -3.400 2.384) 5.192 4.836 ( 10.737 3.005 -3.773) 11.771 5.151 ( 2.181 2.695 -1.690) 3.857 5.405 ( 2.328 2.622 0.004) 3.506 5.483 ( 1.837 -1.924 -1.129) 2.890 5.961 ( 0.998 4.939 3.007) 5.868 6.219 ( -2.640 -1.454 -1.140) 3.222 6.334 ( 2.193 6.355 0.244) 6.727 6.580 ( 3.471 -4.382 0.914) 5.664 6.746 ( -4.138 1.178 3.406) 5.488 6.820 ( 3.828 -1.984 2.737) 5.107 7.100 ( -3.454 -0.961 -1.865) 4.042 7.359 ( 11.317 -3.233 -0.793) 11.796 8.147 ( -0.202 -2.952 6.668) 7.295 8.559 ( 10.811 1.788 1.972) 11.134 8.779 ( -10.867 2.410 -0.257) 11.134 9.392 ( 0.690 2.131 -1.415) 2.650 10.172 ( 7.920 3.197 -10.077) 13.210 19.100 ( 1.003 0.759 -1.349) 1.844 19.137 ( 2.142 -1.033 1.060) 2.604 19.209 ( -0.726 -0.229 1.527) 1.706 19.356 ( -1.223 1.240 -0.143) 1.748 21.325 ( -1.026 1.138 -0.443) 1.595 21.445 ( -2.131 -0.724 0.173) 2.257 21.566 ( -5.412 -1.753 1.195) 5.813 21.749 ( -4.564 -2.377 -0.224) 5.151 24.413 ( -0.687 -0.272 0.012) 0.739 24.480 ( -0.010 -0.049 0.284) 0.288 24.483 ( 0.432 0.100 -0.691) 0.820 24.556 ( 0.475 0.079 1.181) 1.276 32.350 ( 1.134 0.418 0.784) 1.441 32.357 ( 0.099 0.388 0.529) 0.664 32.446 ( -1.431 0.114 -2.052) 2.504 32.457 ( 0.003 -1.176 -0.860) 1.457 40.782 ( -4.901 2.620 -2.762) 6.206 41.002 ( -3.261 -2.608 -8.537) 9.503 41.528 ( -2.241 -0.033 -2.977) 3.726 42.295 ( -11.056 6.592 4.973) 13.800 44.606 ( -7.712 -9.226 -3.386) 12.493 44.848 ( -5.049 -3.739 2.112) 6.628 46.312 ( 17.282 8.098 3.713) 19.443 47.798 ( 30.749 0.281 -11.041) 32.673 ======================= Grid point 87 (39/129) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -3.405 3.101 -0.937) 4.700 1.721 ( 1.185 8.383 6.876) 10.907 1.818 ( 3.919 -1.910 -0.659) 4.410 2.101 ( 11.842 7.746 1.106) 14.194 2.183 ( -3.512 -2.574 4.312) 6.128 2.379 ( -3.094 9.160 1.155) 9.738 2.484 ( -0.453 2.967 0.617) 3.064 2.669 ( 0.021 -2.241 -0.599) 2.320 2.839 ( -3.682 -5.328 -0.246) 6.481 3.205 ( -3.163 -7.451 3.146) 8.685 3.314 ( 0.796 -1.459 -10.877) 11.003 3.604 ( 10.329 3.292 -0.346) 10.846 3.651 ( 12.709 10.788 -1.452) 16.734 3.942 ( 1.855 0.332 4.301) 4.696 4.031 ( 3.274 4.043 -1.955) 5.557 4.098 ( 5.318 3.983 -1.341) 6.778 4.152 ( -2.711 0.580 1.026) 2.956 4.462 ( 0.573 -2.994 0.154) 3.052 4.486 ( 1.550 1.945 1.964) 3.169 4.936 ( 10.967 7.579 0.471) 13.339 5.132 ( 1.388 3.272 -0.052) 3.555 5.357 ( -1.205 4.233 -1.729) 4.729 5.541 ( 2.512 -2.232 -0.168) 3.364 5.886 ( -0.658 8.079 -0.774) 8.142 6.210 ( -2.161 1.392 1.719) 3.092 6.283 ( 0.811 0.790 -0.968) 1.490 6.602 ( -1.290 3.664 1.129) 4.045 6.710 ( -1.684 -0.185 2.935) 3.389 6.875 ( -1.171 -1.271 2.297) 2.875 7.057 ( -2.018 -0.555 -2.837) 3.525 7.567 ( 10.047 -3.219 -0.904) 10.589 8.209 ( -2.157 -4.023 4.825) 6.642 8.562 ( -6.814 3.986 2.392) 8.249 8.769 ( 9.478 -1.895 4.206) 10.541 9.357 ( 1.039 3.372 -2.337) 4.233 10.182 ( 8.198 4.943 -8.531) 12.822 19.098 ( 1.373 0.886 -1.474) 2.200 19.177 ( 1.015 0.104 1.121) 1.516 19.221 ( 0.370 -1.388 1.471) 2.056 19.312 ( -1.925 1.685 -0.085) 2.560 21.326 ( 1.590 -0.754 0.497) 1.829 21.426 ( -1.792 -1.090 -0.670) 2.202 21.540 ( -4.022 -3.750 0.857) 5.565 21.728 ( -4.127 -4.349 -0.608) 6.026 24.409 ( -0.590 -0.437 0.160) 0.751 24.470 ( -0.436 0.115 -0.400) 0.603 24.496 ( 0.797 -0.098 0.041) 0.804 24.562 ( -0.018 0.244 0.823) 0.859 32.339 ( -0.437 0.930 -0.434) 1.115 32.376 ( 1.092 0.289 1.580) 1.942 32.407 ( -1.274 0.755 -1.532) 2.131 32.473 ( -0.054 -1.602 -1.052) 1.918 40.649 ( -3.567 6.178 -1.448) 7.279 40.995 ( -0.018 -5.084 -5.629) 7.585 41.498 ( -1.476 -1.532 -0.774) 2.264 42.107 ( -6.341 5.563 0.488) 8.450 44.624 ( -6.594 -11.566 -2.552) 13.556 44.848 ( -4.908 -5.830 1.266) 7.725 46.374 ( 11.174 17.524 4.100) 21.184 48.121 ( 24.061 2.041 -10.728) 26.423 ======================= Grid point 88 (40/129) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -2.198 10.657 6.218) 12.533 1.675 ( -0.446 4.594 7.078) 8.450 1.912 ( 6.392 -0.835 -4.240) 7.716 2.133 ( 5.832 10.606 2.592) 12.378 2.143 ( -6.336 0.552 0.884) 6.421 2.277 ( 3.594 6.097 2.074) 7.375 2.429 ( -0.723 5.106 0.350) 5.169 2.653 ( -2.517 -0.644 -0.475) 2.641 2.827 ( -4.184 -1.038 1.215) 4.479 3.297 ( -0.612 -6.905 -5.877) 9.088 3.360 ( 4.427 -6.140 3.580) 8.374 3.560 ( 6.390 18.152 -2.995) 19.476 3.716 ( 7.767 5.186 -1.445) 9.450 3.917 ( -4.207 9.714 -5.512) 11.935 3.978 ( 0.610 1.316 3.005) 3.337 4.097 ( 1.786 2.209 -1.436) 3.183 4.116 ( -1.103 1.724 2.967) 3.604 4.383 ( -5.363 7.354 -1.995) 9.318 4.476 ( 1.728 2.333 1.063) 3.092 4.887 ( 2.318 14.474 0.920) 14.687 5.119 ( 0.068 2.041 4.337) 4.794 5.257 ( -1.779 5.028 -2.807) 6.027 5.605 ( 2.768 -1.998 -1.677) 3.804 5.726 ( -1.777 11.077 -3.644) 11.795 6.141 ( -1.978 3.521 0.763) 4.110 6.324 ( 0.793 -2.813 1.879) 3.475 6.520 ( -1.820 5.274 0.457) 5.598 6.715 ( 0.548 1.402 3.080) 3.428 6.862 ( -4.904 -2.907 2.148) 6.092 7.031 ( 0.302 0.363 -2.050) 2.104 7.664 ( 3.877 4.257 0.543) 5.783 8.234 ( -3.591 -3.484 1.573) 5.245 8.449 ( -4.720 2.294 3.597) 6.363 8.986 ( 8.231 -6.442 3.834) 11.133 9.320 ( 1.298 2.366 -2.686) 3.808 10.185 ( 7.686 5.817 -7.877) 12.448 19.099 ( 1.684 1.368 -1.201) 2.480 19.184 ( 0.058 0.306 1.113) 1.156 19.249 ( -1.121 0.658 1.234) 1.793 19.273 ( -0.361 -0.909 -0.118) 0.985 21.386 ( 2.382 -2.581 1.209) 3.715 21.423 ( -0.638 -1.918 -0.579) 2.103 21.551 ( -2.667 -4.906 -0.051) 5.585 21.738 ( -2.815 -5.869 -1.647) 6.714 24.409 ( -0.418 -0.546 0.328) 0.762 24.462 ( -0.173 0.113 -0.443) 0.488 24.507 ( 0.485 -0.081 0.079) 0.498 24.558 ( -0.506 0.361 0.394) 0.736 32.320 ( -0.101 0.939 0.076) 0.947 32.376 ( -0.661 1.011 -0.845) 1.474 32.391 ( 0.539 0.587 1.665) 1.846 32.485 ( 0.040 -1.310 -1.316) 1.858 40.534 ( 0.969 7.760 4.119) 8.839 41.056 ( 1.377 -6.016 -3.681) 7.186 41.519 ( -0.042 -3.018 0.584) 3.074 41.962 ( -4.394 3.993 -3.615) 6.951 44.693 ( -3.036 -11.645 -1.533) 12.132 44.872 ( -3.707 -6.867 0.261) 7.808 46.229 ( 4.320 24.826 5.136) 25.717 48.295 ( 15.174 4.962 -15.398) 22.181 ======================= Grid point 89 (41/129) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.488 13.506 13.474) 19.084 1.628 ( -1.318 7.941 4.929) 9.439 1.926 ( 1.757 6.479 -2.489) 7.160 1.984 ( -5.229 6.500 -2.798) 8.799 2.123 ( 0.280 1.011 1.120) 1.535 2.252 ( 1.559 6.921 1.337) 7.219 2.330 ( 0.119 11.176 6.198) 12.780 2.652 ( 0.834 -2.658 0.288) 2.800 2.800 ( -0.269 1.065 0.908) 1.425 3.288 ( 0.398 19.506 -5.590) 20.295 3.337 ( 2.523 8.882 1.146) 9.304 3.446 ( 0.451 11.436 -1.580) 11.553 3.671 ( -3.591 4.807 -0.983) 6.080 3.711 ( 4.584 6.704 -2.850) 8.607 3.910 ( -5.526 -0.331 -4.621) 7.212 4.102 ( -0.539 1.335 1.259) 1.913 4.122 ( 1.436 -3.176 -0.213) 3.492 4.226 ( -2.724 4.345 -0.442) 5.147 4.487 ( 4.344 4.192 2.014) 6.364 4.711 ( 0.518 13.134 0.334) 13.149 5.066 ( -5.700 4.309 3.245) 7.848 5.212 ( 2.111 -0.329 -1.191) 2.446 5.537 ( 0.366 11.107 -4.470) 11.978 5.652 ( 1.435 -1.511 -2.117) 2.970 6.089 ( -0.158 2.548 1.256) 2.845 6.379 ( -1.880 -3.010 2.138) 4.143 6.428 ( 1.748 6.369 -0.678) 6.639 6.702 ( -1.265 2.922 4.854) 5.805 6.845 ( -4.832 -3.779 -0.779) 6.184 7.049 ( 2.901 -0.237 0.850) 3.033 7.583 ( -1.021 11.451 2.034) 11.675 8.216 ( -3.693 -2.161 -2.488) 4.949 8.402 ( -0.916 2.213 3.139) 3.949 9.165 ( 0.783 -7.011 2.381) 7.446 9.312 ( 0.909 -1.489 -2.633) 3.158 10.148 ( 4.199 6.847 -8.583) 11.755 19.095 ( 1.422 2.079 -0.583) 2.586 19.182 ( -0.737 0.535 0.646) 1.117 19.219 ( -0.817 0.285 1.152) 1.441 19.290 ( -0.757 -1.467 -0.262) 1.672 21.443 ( -0.780 -2.684 0.901) 2.937 21.456 ( 1.272 -2.425 0.518) 2.787 21.594 ( -0.549 -5.430 -0.717) 5.505 21.785 ( -0.401 -6.811 -2.673) 7.327 24.415 ( -0.173 -0.593 0.473) 0.778 24.458 ( 0.177 0.103 -0.455) 0.499 24.511 ( 0.070 0.074 0.085) 0.132 24.543 ( -0.887 0.502 -0.067) 1.021 32.323 ( 1.093 0.257 1.120) 1.586 32.352 ( -0.088 1.230 -0.054) 1.234 32.393 ( -0.188 0.806 1.380) 1.609 32.497 ( 0.586 -0.964 -1.460) 1.845 40.597 ( 11.483 0.981 16.094) 19.795 41.136 ( 1.468 -5.374 -2.883) 6.273 41.565 ( 0.381 -2.721 0.057) 2.748 41.834 ( -3.900 2.155 -6.587) 7.952 44.828 ( 2.308 -10.686 -0.555) 10.947 44.929 ( -0.487 -7.273 -0.803) 7.333 45.941 ( -0.343 27.381 6.799) 28.215 48.211 ( 1.895 12.073 -26.320) 29.019 ======================= Grid point 90 (42/129) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.208 13.619 15.645) 20.744 1.411 ( -2.752 23.372 5.883) 24.258 1.755 ( -6.148 7.957 3.062) 10.512 1.890 ( -1.574 -2.033 -6.017) 6.543 2.096 ( 1.819 6.447 0.357) 6.708 2.192 ( 2.068 4.703 0.949) 5.224 2.267 ( 3.386 10.051 12.033) 16.040 2.725 ( 3.261 0.661 -0.957) 3.462 2.765 ( -2.784 1.393 1.131) 3.313 2.975 ( 0.295 18.788 -7.526) 20.241 3.112 ( 8.142 22.532 -1.725) 24.020 3.386 ( 2.763 1.656 -1.405) 3.514 3.565 ( 5.713 14.336 -4.109) 15.970 3.666 ( 1.228 5.289 -0.812) 5.490 3.900 ( -2.721 -4.836 -0.002) 5.549 4.058 ( -3.170 2.211 -1.077) 4.012 4.155 ( 0.274 1.667 -4.424) 4.736 4.224 ( 1.412 -6.487 1.575) 6.823 4.482 ( 3.677 7.586 0.400) 8.439 4.631 ( 2.589 1.369 2.235) 3.684 4.941 ( -4.736 3.381 1.187) 5.939 5.254 ( 0.616 -2.575 -0.286) 2.663 5.416 ( 3.630 8.537 -2.976) 9.743 5.675 ( 0.332 -1.929 -1.000) 2.198 6.090 ( 2.193 1.202 2.171) 3.311 6.328 ( -1.907 1.984 -0.097) 2.754 6.448 ( 3.810 1.985 0.536) 4.330 6.681 ( -0.877 1.496 5.735) 5.991 6.799 ( -3.898 -0.167 -2.713) 4.752 7.112 ( 3.722 -0.025 2.429) 4.444 7.395 ( -2.704 13.795 2.779) 14.329 8.146 ( -3.240 2.472 -5.770) 7.064 8.364 ( -0.218 5.469 2.429) 5.988 9.224 ( -4.333 -6.980 1.444) 8.341 9.350 ( -1.119 -5.301 -3.340) 6.364 10.051 ( 2.208 5.692 -9.496) 11.289 19.079 ( 0.564 2.285 0.151) 2.359 19.160 ( -0.853 0.688 -0.526) 1.216 19.223 ( -0.216 0.392 1.151) 1.235 19.292 ( -0.843 -1.951 0.034) 2.125 21.449 ( -3.379 -2.864 0.079) 4.430 21.507 ( 0.644 -1.755 0.823) 2.042 21.662 ( 0.978 -4.833 -0.156) 4.934 21.863 ( 0.758 -5.733 -2.274) 6.214 24.424 ( 0.164 -0.479 0.488) 0.703 24.459 ( 0.452 0.098 -0.556) 0.724 24.504 ( -0.780 0.592 0.256) 1.012 24.525 ( -0.327 0.448 -0.226) 0.599 32.321 ( -0.542 0.524 -0.464) 0.886 32.360 ( -0.099 0.101 2.204) 2.208 32.394 ( 2.020 0.835 1.097) 2.446 32.510 ( 0.895 -0.610 -1.656) 1.979 41.032 ( 10.562 -16.295 18.810) 27.035 41.215 ( 4.711 -7.352 2.259) 9.019 41.597 ( 3.090 -0.593 -2.048) 3.755 41.746 ( -3.052 -3.645 -4.522) 6.561 44.978 ( 1.814 -6.447 -2.248) 7.064 45.088 ( 9.716 -8.671 0.400) 13.029 45.625 ( -1.423 23.792 8.036) 25.152 47.713 ( -9.734 28.509 -36.573) 47.382 ======================= Grid point 94 (43/129) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -2.095 0.000 -1.303) 2.467 1.732 ( 5.874 -0.000 -1.064) 5.970 1.995 ( -2.082 0.000 -1.499) 2.566 2.026 ( 3.088 -0.000 13.187) 13.544 2.332 ( 9.136 -0.000 -2.943) 9.598 2.415 ( -3.284 0.000 3.063) 4.491 2.483 ( -3.712 0.000 3.748) 5.275 2.627 ( -1.571 0.000 0.368) 1.614 2.756 ( -5.667 0.000 -1.973) 6.001 3.109 ( -8.068 0.000 2.864) 8.561 3.296 ( 1.865 -0.000 -11.419) 11.571 3.653 ( 10.721 -0.000 -1.070) 10.774 3.835 ( 10.370 -0.000 0.437) 10.379 3.929 ( 4.884 -0.000 2.458) 5.468 4.079 ( 4.525 -0.000 2.869) 5.358 4.128 ( -2.274 0.000 -4.876) 5.380 4.257 ( 4.297 -0.000 -4.530) 6.244 4.380 ( 14.974 -0.000 6.046) 16.148 4.491 ( 5.568 -0.000 4.079) 6.902 5.007 ( 11.515 -0.000 -2.590) 11.802 5.194 ( 3.163 -0.000 0.334) 3.180 5.442 ( -1.750 0.000 -2.420) 2.986 5.484 ( 2.610 -0.000 1.512) 3.016 5.999 ( -1.042 0.000 -0.212) 1.064 6.179 ( -0.336 0.000 0.514) 0.614 6.380 ( -2.502 0.000 -3.336) 4.170 6.622 ( 5.543 -0.000 1.024) 5.637 6.723 ( -3.618 0.000 5.852) 6.880 6.831 ( -1.280 0.000 0.045) 1.281 7.059 ( -0.040 0.000 -2.645) 2.646 7.514 ( 13.163 -0.000 -0.455) 13.171 8.149 ( -1.126 0.000 4.674) 4.807 8.640 ( -10.461 0.000 2.188) 10.687 8.723 ( 7.299 -0.000 4.563) 8.608 9.418 ( 1.669 -0.000 -1.415) 2.188 10.251 ( 7.266 -0.000 -8.609) 11.266 19.110 ( 0.990 -0.000 -1.233) 1.582 19.178 ( 3.045 -0.000 1.202) 3.274 19.202 ( -1.072 0.000 1.415) 1.775 19.337 ( -2.145 0.000 -0.699) 2.255 21.323 ( 0.171 -0.000 0.055) 0.180 21.408 ( -2.084 0.000 -0.321) 2.109 21.488 ( -4.485 0.000 1.554) 4.747 21.663 ( -4.425 0.000 -0.892) 4.514 24.403 ( -0.511 0.000 0.129) 0.527 24.472 ( -0.516 0.000 -0.327) 0.611 24.494 ( 0.814 -0.000 0.015) 0.814 24.566 ( 0.075 -0.000 0.801) 0.805 32.354 ( -0.743 0.000 -0.390) 0.839 32.380 ( 1.323 -0.000 1.313) 1.864 32.424 ( -0.678 0.000 -1.145) 1.331 32.442 ( -0.020 0.000 -1.195) 1.195 40.747 ( -2.873 0.000 1.363) 3.180 40.916 ( 0.657 -0.000 -8.198) 8.224 41.476 ( -2.835 0.000 -1.094) 3.038 42.191 ( -9.643 0.000 0.296) 9.648 44.452 ( -4.254 0.000 -1.586) 4.540 44.767 ( -4.123 0.000 1.105) 4.269 46.621 ( 13.686 -0.000 4.556) 14.424 48.138 ( 23.948 -0.000 -10.725) 26.239 ======================= Grid point 95 (44/129) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 0.290 1.074 1.863) 2.169 1.827 ( 6.167 -3.027 -4.334) 8.123 1.898 ( -1.439 9.602 7.146) 12.055 2.097 ( -6.324 -1.111 5.977) 8.772 2.345 ( 4.777 5.314 -0.507) 7.163 2.410 ( 1.520 1.359 3.978) 4.470 2.542 ( -1.550 -0.766 0.212) 1.742 2.582 ( -0.824 -2.715 -0.239) 2.848 2.715 ( -2.234 -3.783 -1.725) 4.720 3.035 ( -8.039 -5.766 3.330) 10.438 3.304 ( 4.952 -0.799 -5.388) 7.361 3.746 ( 5.142 0.824 -3.027) 6.024 3.908 ( 5.177 6.007 1.148) 8.013 3.977 ( -1.078 0.357 2.269) 2.537 4.047 ( -0.046 0.211 -3.216) 3.223 4.170 ( 3.617 2.609 2.912) 5.326 4.262 ( 4.886 2.997 -7.798) 9.678 4.536 ( 6.838 5.037 4.763) 9.737 4.556 ( 0.584 3.078 1.812) 3.619 5.085 ( 2.548 1.505 -2.897) 4.141 5.256 ( 5.637 4.944 3.856) 8.431 5.376 ( -1.393 3.744 -1.605) 4.305 5.536 ( 1.158 -2.894 -0.195) 3.123 5.936 ( -2.082 4.434 -3.880) 6.249 6.201 ( -0.151 0.101 1.240) 1.253 6.298 ( -1.036 1.677 -1.031) 2.224 6.662 ( -0.355 4.717 2.461) 5.332 6.718 ( 1.608 -0.890 1.789) 2.565 6.802 ( -4.707 -2.180 -0.181) 5.191 7.052 ( 1.376 0.788 -2.366) 2.848 7.703 ( 11.254 -0.142 0.721) 11.278 8.159 ( -2.350 -1.829 2.865) 4.132 8.507 ( -8.032 1.583 4.181) 9.192 8.843 ( 3.073 -3.407 4.561) 6.470 9.416 ( 1.836 3.072 -1.364) 3.830 10.291 ( 6.230 2.154 -7.079) 9.673 19.119 ( 1.370 0.273 -0.882) 1.652 19.191 ( -0.742 0.224 1.234) 1.457 19.230 ( 2.253 -0.696 0.783) 2.485 19.291 ( -2.714 0.796 -0.825) 2.946 21.341 ( 1.351 -0.787 0.969) 1.839 21.387 ( -1.110 -0.863 -0.348) 1.449 21.456 ( -2.888 -1.945 0.817) 3.577 21.618 ( -3.230 -2.752 -1.705) 4.573 24.400 ( -0.282 -0.193 0.250) 0.423 24.464 ( -0.264 0.027 -0.401) 0.480 24.505 ( 0.539 -0.034 0.193) 0.574 24.566 ( -0.341 0.186 0.315) 0.500 32.338 ( -0.470 0.401 -0.329) 0.700 32.398 ( 0.173 0.444 0.586) 0.755 32.409 ( 0.420 0.911 0.006) 1.003 32.447 ( 0.134 -1.412 -1.060) 1.771 40.704 ( -0.377 4.376 3.702) 5.744 40.933 ( 3.098 -3.040 -5.086) 6.686 41.454 ( -1.217 -1.574 0.974) 2.215 42.050 ( -6.371 2.106 -4.058) 7.842 44.445 ( -1.677 -5.749 -0.302) 5.996 44.739 ( -2.989 -2.895 0.030) 4.161 46.723 ( 6.528 10.937 5.065) 13.707 48.355 ( 14.459 0.557 -11.172) 18.281 ======================= Grid point 96 (45/129) ======================= q-point: (-0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 2.001 4.804 5.785) 7.781 1.788 ( -2.695 7.497 7.456) 10.912 1.907 ( -0.869 -1.299 -5.411) 5.632 2.032 ( -3.459 -3.058 4.016) 6.119 2.296 ( 0.213 7.638 1.134) 7.725 2.420 ( 0.489 5.165 -0.035) 5.188 2.543 ( 5.670 4.841 2.134) 7.755 2.581 ( -2.871 -2.348 1.990) 4.209 2.759 ( 0.517 -4.005 -0.109) 4.040 3.103 ( -2.476 -14.082 0.408) 14.303 3.396 ( 6.929 -2.712 -1.287) 7.552 3.750 ( -0.765 2.080 -4.376) 4.905 3.835 ( -2.988 6.120 -1.856) 7.059 3.903 ( -2.615 8.113 0.847) 8.566 4.055 ( 1.999 3.138 -0.148) 3.724 4.150 ( 0.848 5.382 -0.040) 5.449 4.238 ( 3.599 4.418 -5.866) 8.178 4.426 ( -4.637 10.921 3.873) 12.481 4.553 ( 1.447 3.653 2.983) 4.933 5.033 ( -0.200 6.539 -3.162) 7.266 5.208 ( -2.241 7.903 4.439) 9.337 5.303 ( 0.992 5.615 -0.778) 5.755 5.580 ( -0.461 -3.225 -1.715) 3.681 5.797 ( -1.597 7.443 -6.487) 10.001 6.165 ( -0.706 2.771 0.457) 2.896 6.319 ( 1.161 -0.785 2.225) 2.629 6.591 ( -0.055 5.869 0.771) 5.920 6.753 ( -4.836 -0.399 3.155) 5.788 6.764 ( 1.905 -1.509 -1.346) 2.778 7.057 ( 2.338 0.673 -0.864) 2.582 7.802 ( 4.250 4.925 3.520) 7.397 8.152 ( -3.345 -2.232 0.007) 4.021 8.436 ( -2.595 0.558 4.065) 4.855 8.947 ( -1.627 -7.120 3.558) 8.124 9.382 ( 1.338 4.278 -1.235) 4.649 10.290 ( 3.697 3.995 -6.559) 8.524 19.131 ( 1.483 0.619 -0.534) 1.693 19.188 ( -0.659 -0.072 1.170) 1.345 19.233 ( -2.865 0.219 -0.826) 2.989 19.267 ( 1.303 0.174 0.356) 1.362 21.380 ( -0.424 -1.888 1.272) 2.315 21.402 ( 1.150 -1.608 0.377) 2.012 21.466 ( -0.749 -3.839 -0.152) 3.915 21.628 ( -0.429 -4.772 -2.568) 5.436 24.403 ( 0.006 -0.328 0.359) 0.486 24.460 ( 0.068 0.024 -0.435) 0.441 24.512 ( 0.236 0.006 0.340) 0.414 24.555 ( -0.667 0.383 -0.144) 0.783 32.332 ( 0.334 0.343 0.105) 0.490 32.382 ( -0.198 1.019 -0.043) 1.039 32.412 ( 0.344 0.657 0.978) 1.228 32.465 ( 0.535 -1.335 -0.972) 1.736 40.693 ( 3.863 4.603 8.031) 10.030 41.009 ( 3.755 -3.911 -2.636) 6.029 41.491 ( 0.964 -2.545 1.841) 3.286 41.910 ( -4.205 2.839 -8.196) 9.639 44.547 ( 1.939 -9.374 0.789) 9.605 44.759 ( -0.989 -5.210 -0.976) 5.392 46.587 ( -0.922 19.850 6.033) 20.767 48.394 ( 2.924 3.431 -14.187) 14.886 ======================= Grid point 97 (46/129) ======================= q-point: (-0.25 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.018 9.254 8.701) 12.702 1.698 ( -4.779 4.254 4.702) 7.940 1.804 ( -7.691 -2.701 -6.436) 10.386 2.112 ( 3.669 1.596 3.559) 5.355 2.152 ( -3.240 11.108 1.690) 11.694 2.336 ( -0.096 7.631 1.646) 7.807 2.499 ( -1.764 4.163 7.337) 8.618 2.676 ( 6.133 -1.789 0.944) 6.458 2.805 ( 1.684 0.139 -0.305) 1.717 3.249 ( 1.326 -7.538 -3.963) 8.619 3.474 ( -15.098 12.547 -8.288) 21.309 3.559 ( 6.074 -6.581 1.080) 9.020 3.707 ( -2.752 11.750 2.544) 12.333 3.787 ( 0.928 2.023 -0.855) 2.384 3.963 ( 1.758 11.578 -3.555) 12.238 4.102 ( -2.644 1.580 0.780) 3.177 4.189 ( 2.486 3.818 -4.066) 6.107 4.293 ( 0.617 9.159 6.144) 11.046 4.544 ( -0.867 -0.394 1.077) 1.438 4.887 ( 0.086 11.792 -1.627) 11.904 5.088 ( -3.408 6.689 1.849) 7.732 5.259 ( 1.829 3.698 -0.550) 4.162 5.589 ( -1.789 -2.662 -2.178) 3.877 5.655 ( 0.330 6.948 -6.386) 9.443 6.129 ( 0.210 2.213 0.669) 2.322 6.340 ( -1.609 -0.264 1.936) 2.531 6.542 ( 3.490 4.460 0.122) 5.664 6.712 ( -3.228 0.574 4.453) 5.530 6.789 ( 0.680 -0.251 -2.183) 2.300 7.104 ( 4.056 -0.421 1.724) 4.427 7.734 ( -2.150 10.732 5.743) 12.360 8.122 ( -3.787 -2.233 -3.215) 5.446 8.455 ( 3.099 1.022 2.794) 4.296 8.998 ( -8.369 -8.457 2.876) 12.241 9.340 ( 0.911 3.112 -1.316) 3.500 10.211 ( -0.262 6.149 -7.306) 9.553 19.133 ( 0.529 1.500 -0.209) 1.604 19.170 ( -1.635 0.172 -0.132) 1.649 19.217 ( -0.081 -1.056 0.909) 1.395 19.269 ( -0.398 0.565 -0.235) 0.730 21.380 ( -3.105 -2.093 0.203) 3.750 21.456 ( 1.462 -1.927 1.183) 2.692 21.531 ( 1.898 -4.996 -0.508) 5.369 21.704 ( 2.936 -5.824 -2.352) 6.933 24.412 ( 0.347 -0.422 0.420) 0.689 24.460 ( 0.374 0.008 -0.461) 0.594 24.514 ( -0.212 0.234 0.471) 0.568 24.537 ( -0.650 0.472 -0.410) 0.902 32.329 ( -0.334 0.232 -0.425) 0.588 32.374 ( -0.365 0.582 1.245) 1.422 32.418 ( 1.823 0.923 0.897) 2.231 32.485 ( 0.677 -1.210 -1.167) 1.812 40.814 ( 7.929 -1.678 12.990) 15.311 41.103 ( 3.657 -3.532 -1.129) 5.208 41.551 ( 1.966 -1.938 1.533) 3.158 41.766 ( -3.143 2.871 -11.366) 12.137 44.742 ( 5.027 -10.567 0.355) 11.707 44.853 ( 4.186 -8.352 -0.636) 9.364 46.280 ( -5.894 23.889 7.461) 25.712 48.173 ( -8.773 10.387 -19.439) 23.722 ======================= Grid point 98 (47/129) ======================= q-point: (-0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -3.188 9.400 10.208) 14.238 1.577 ( -5.811 3.741 2.008) 7.197 1.741 ( -2.885 -3.241 -5.677) 7.145 1.860 ( -6.795 17.320 6.547) 19.723 2.184 ( 2.844 1.630 0.569) 3.327 2.261 ( 1.449 5.332 2.296) 5.984 2.461 ( -1.205 5.877 6.487) 8.836 2.750 ( -0.758 -1.141 2.913) 3.219 2.824 ( 5.915 2.595 -1.002) 6.537 3.038 ( -11.072 13.618 -6.940) 18.873 3.298 ( 3.596 -0.531 -5.857) 6.894 3.578 ( 3.534 9.431 2.010) 10.270 3.713 ( 2.377 -2.304 1.222) 3.529 3.799 ( 3.357 6.148 -2.905) 7.583 3.857 ( 3.264 2.027 0.801) 3.924 4.030 ( -3.863 1.711 -1.548) 4.500 4.179 ( 1.991 2.410 -1.646) 3.533 4.244 ( 3.409 4.185 2.005) 5.758 4.538 ( -1.457 -0.730 -0.868) 1.846 4.754 ( 0.560 9.517 2.351) 9.819 4.971 ( -0.183 6.343 -0.618) 6.375 5.250 ( 1.498 0.281 -1.941) 2.468 5.549 ( 2.814 6.743 -4.171) 8.414 5.612 ( -1.667 -4.879 -0.622) 5.193 6.128 ( 0.373 -0.544 1.606) 1.736 6.310 ( -1.771 0.925 0.725) 2.126 6.570 ( 5.381 2.991 1.260) 6.284 6.706 ( 0.309 0.297 3.938) 3.961 6.772 ( -0.437 0.888 -1.751) 2.011 7.186 ( 4.176 -0.210 2.876) 5.075 7.557 ( -3.377 13.955 6.270) 15.667 8.072 ( -3.071 -1.942 -5.412) 6.519 8.475 ( 2.604 6.203 1.934) 7.000 8.967 ( -12.700 -9.818 2.460) 16.240 9.326 ( 1.331 0.230 -1.813) 2.261 10.077 ( -0.770 4.950 -8.322) 9.713 19.104 ( -0.984 1.397 -0.206) 1.722 19.157 ( 0.152 0.514 -0.528) 0.752 19.236 ( 0.022 1.068 0.558) 1.205 19.258 ( -0.533 -2.068 0.952) 2.339 21.359 ( -3.418 -2.156 -0.346) 4.056 21.489 ( -0.642 -1.625 0.554) 1.833 21.632 ( 3.081 -4.086 -0.130) 5.119 21.812 ( 2.926 -4.619 -1.199) 5.598 24.427 ( 0.631 -0.429 0.381) 0.853 24.464 ( 0.435 0.099 -0.561) 0.716 24.501 ( -0.862 0.576 0.138) 1.046 24.528 ( 0.043 0.272 0.202) 0.342 32.317 ( -0.393 0.222 -0.349) 0.570 32.360 ( -1.233 0.407 1.044) 1.666 32.451 ( 2.902 0.846 1.043) 3.198 32.501 ( 0.435 -1.024 -1.641) 1.983 41.020 ( 1.062 -5.411 4.121) 6.884 41.204 ( 2.722 -4.964 3.815) 6.827 41.634 ( -1.403 -3.326 -5.656) 6.709 41.651 ( 5.205 -0.788 -0.437) 5.282 44.916 ( 4.489 -7.809 -3.149) 9.542 45.114 ( 10.532 -11.046 2.263) 15.429 45.921 ( -6.750 22.102 7.856) 24.408 47.701 ( -11.418 18.707 -22.330) 31.288 ======================= Grid point 103 (48/129) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 2.811 -0.000 5.361) 6.053 1.830 ( -0.108 -0.000 -8.680) 8.680 1.967 ( -0.373 -0.000 7.655) 7.664 2.046 ( -8.693 0.000 4.771) 9.916 2.386 ( 0.684 -0.000 1.064) 1.265 2.401 ( -2.032 -0.000 7.032) 7.319 2.581 ( 2.977 -0.000 -0.971) 3.132 2.611 ( 5.492 -0.000 1.595) 5.719 2.678 ( 2.081 -0.000 -2.186) 3.019 2.895 ( -6.891 -0.000 2.072) 7.196 3.369 ( 7.664 -0.000 -3.260) 8.328 3.762 ( -0.303 -0.000 -4.383) 4.393 3.901 ( -6.078 -0.000 -0.469) 6.096 4.000 ( 0.351 -0.000 2.967) 2.987 4.078 ( 2.424 -0.000 0.641) 2.508 4.264 ( 1.971 -0.000 5.089) 5.457 4.270 ( 2.543 -0.000 -10.666) 10.965 4.539 ( -5.269 -0.000 -0.550) 5.298 4.687 ( 0.447 -0.000 6.160) 6.176 5.094 ( 0.506 -0.000 -3.990) 4.022 5.319 ( -1.986 -0.000 1.116) 2.278 5.440 ( 2.519 -0.000 2.440) 3.508 5.496 ( -2.241 -0.000 -1.003) 2.455 5.898 ( -2.779 -0.000 -7.496) 7.995 6.204 ( -0.733 -0.000 1.049) 1.279 6.328 ( 3.960 -0.000 1.231) 4.147 6.704 ( -4.388 -0.000 -3.270) 5.472 6.710 ( -1.437 0.000 5.115) 5.313 6.742 ( 2.014 -0.000 -0.908) 2.210 7.069 ( 1.691 -0.000 -1.648) 2.361 7.857 ( 6.535 -0.000 4.861) 8.145 8.120 ( -3.149 -0.000 1.033) 3.314 8.442 ( -3.898 -0.000 3.681) 5.361 8.850 ( -1.562 -0.000 4.010) 4.303 9.451 ( 0.597 -0.000 -0.463) 0.755 10.344 ( 4.081 -0.000 -5.820) 7.108 19.137 ( 1.292 -0.000 -0.382) 1.347 19.185 ( -0.940 -0.000 1.359) 1.652 19.232 ( -2.706 -0.000 -1.041) 2.899 19.279 ( 1.697 -0.000 -0.221) 1.712 21.355 ( 0.343 -0.000 1.543) 1.580 21.378 ( 0.963 -0.000 -0.013) 0.963 21.415 ( -1.625 -0.000 0.450) 1.686 21.562 ( -0.155 -0.000 -2.524) 2.529 24.398 ( 0.035 -0.000 0.342) 0.344 24.460 ( 0.031 -0.000 -0.423) 0.424 24.512 ( 0.278 -0.000 0.423) 0.506 24.560 ( -0.633 -0.000 -0.155) 0.651 32.337 ( 0.174 -0.000 -0.218) 0.279 32.398 ( -0.940 -0.000 -0.068) 0.943 32.425 ( 0.849 -0.000 0.273) 0.892 32.440 ( 0.761 -0.000 -0.293) 0.816 40.766 ( 1.360 -0.000 6.061) 6.212 40.954 ( 5.207 -0.000 -2.904) 5.962 41.453 ( 1.443 -0.000 2.750) 3.105 41.951 ( -4.421 -0.000 -8.443) 9.530 44.413 ( 1.802 -0.000 1.273) 2.206 44.687 ( -1.183 -0.000 -1.094) 1.612 46.862 ( -1.543 -0.000 5.491) 5.703 48.431 ( 3.865 -0.000 -11.067) 11.722 ======================= Grid point 105 (49/129) ======================= q-point: (-0.38 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 1.827 2.019 5.926) 6.522 1.717 ( -9.826 -1.293 -6.054) 11.613 1.870 ( -9.919 5.432 3.034) 11.709 2.054 ( 5.152 -1.850 3.926) 6.736 2.390 ( 1.711 3.733 1.532) 4.383 2.466 ( 1.892 0.794 9.404) 9.625 2.555 ( -1.848 4.122 -0.105) 4.519 2.684 ( 2.416 0.362 2.629) 3.588 2.749 ( 4.688 -4.110 0.743) 6.278 2.922 ( 2.551 -9.609 -2.189) 10.180 3.465 ( 7.258 -0.220 -5.896) 9.353 3.684 ( -6.716 1.515 -5.343) 8.715 3.804 ( -5.263 2.551 1.660) 6.080 3.967 ( -3.675 4.562 3.415) 6.781 4.088 ( -1.111 1.315 -0.273) 1.743 4.221 ( -0.055 1.992 -6.127) 6.443 4.272 ( -2.169 3.759 3.875) 5.818 4.427 ( -5.703 0.070 -0.388) 5.716 4.632 ( -6.219 5.462 6.972) 10.822 5.053 ( -0.957 1.801 -5.932) 6.273 5.255 ( -4.080 4.380 2.364) 6.436 5.397 ( -0.487 5.019 0.372) 5.056 5.503 ( -2.309 -3.050 -0.125) 3.828 5.791 ( -2.459 2.625 -9.800) 10.439 6.205 ( 0.724 2.342 2.044) 3.192 6.360 ( 0.960 2.185 0.846) 2.532 6.621 ( -2.802 0.664 -2.802) 4.018 6.729 ( 1.099 0.998 4.680) 4.910 6.758 ( -0.412 -1.764 -2.627) 3.191 7.094 ( 2.656 -0.310 0.158) 2.678 7.900 ( -4.195 2.316 10.488) 11.531 8.074 ( -4.093 -1.061 -1.638) 4.535 8.469 ( 5.991 0.554 1.369) 6.170 8.843 ( -5.478 -3.116 3.720) 7.318 9.431 ( -0.510 2.539 -0.257) 2.602 10.338 ( 1.541 2.953 -5.588) 6.506 19.151 ( 0.903 0.136 -0.038) 0.914 19.174 ( -2.661 0.260 -0.417) 2.706 19.189 ( -1.147 -0.820 0.713) 1.580 19.297 ( 1.548 0.915 -0.721) 1.937 21.354 ( -1.325 0.184 0.804) 1.560 21.417 ( -0.118 -1.564 0.658) 1.701 21.422 ( 3.212 -2.313 0.110) 3.960 21.590 ( 3.499 -2.476 -2.237) 4.835 24.404 ( 0.336 -0.172 0.415) 0.561 24.460 ( 0.330 -0.005 -0.425) 0.538 24.517 ( 0.043 0.052 0.693) 0.696 24.547 ( -0.825 0.200 -0.497) 0.983 32.337 ( 0.022 0.265 -0.518) 0.582 32.381 ( -1.109 -0.025 0.079) 1.112 32.438 ( 1.346 0.650 0.525) 1.584 32.456 ( 0.737 -0.872 -0.231) 1.165 40.828 ( 3.944 1.144 7.506) 8.556 41.034 ( 5.516 -1.465 -0.359) 5.719 41.516 ( 3.777 -0.700 3.166) 4.979 41.833 ( -2.796 1.605 -12.742) 13.144 44.509 ( 5.156 -5.567 2.352) 7.944 44.696 ( 1.014 -3.259 -1.889) 3.901 46.744 ( -9.350 9.977 6.031) 14.944 48.336 ( -6.538 2.806 -11.994) 13.946 ======================= Grid point 106 (50/129) ======================= q-point: (-0.25 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -5.691 4.818 2.881) 7.994 1.556 ( -9.239 -1.414 -3.503) 9.981 1.716 ( -6.633 1.326 1.864) 7.017 2.164 ( 3.723 -0.602 2.810) 4.703 2.300 ( -2.797 11.142 3.905) 12.133 2.460 ( -0.662 6.556 -0.725) 6.629 2.546 ( 2.560 1.838 9.909) 10.398 2.707 ( -0.294 -0.552 2.516) 2.593 2.857 ( 4.033 -0.643 -0.725) 4.148 3.141 ( 4.910 -12.772 -0.430) 13.690 3.336 ( -12.206 8.827 -10.197) 18.190 3.588 ( 1.342 -1.216 -3.788) 4.198 3.720 ( -3.005 2.775 1.560) 4.378 3.823 ( -6.308 5.649 3.046) 8.999 4.018 ( -2.998 1.231 -2.373) 4.017 4.168 ( -1.491 8.002 2.811) 8.612 4.200 ( -1.199 -1.780 0.464) 2.195 4.420 ( 1.506 0.511 1.071) 1.917 4.489 ( -8.954 2.740 5.363) 10.791 4.964 ( -1.656 3.967 -4.694) 6.365 5.143 ( -2.488 6.257 1.531) 6.905 5.329 ( -0.313 4.420 -1.489) 4.674 5.497 ( -2.908 -2.953 -0.849) 4.231 5.678 ( -0.960 2.703 -8.419) 8.894 6.161 ( -1.305 3.638 0.338) 3.880 6.337 ( -1.580 1.364 1.994) 2.887 6.608 ( 1.780 -1.427 -1.234) 2.594 6.728 ( -1.429 1.205 2.299) 2.963 6.764 ( 0.591 -0.638 -1.968) 2.151 7.162 ( 3.811 -1.511 2.451) 4.776 7.823 ( -8.041 4.787 13.437) 16.375 8.012 ( -4.532 -1.770 -4.469) 6.606 8.574 ( 9.882 3.075 0.185) 10.351 8.799 ( -10.056 -3.560 4.155) 11.448 9.382 ( -0.327 3.082 -0.546) 3.147 10.242 ( -1.367 6.686 -6.855) 9.673 19.123 ( -2.607 0.186 -0.901) 2.764 19.163 ( 0.364 -0.017 0.163) 0.399 19.204 ( -0.039 -1.319 1.550) 2.036 19.289 ( 0.577 1.966 -0.945) 2.257 21.333 ( -1.306 0.277 0.208) 1.351 21.442 ( -0.042 -1.928 0.109) 1.932 21.525 ( 4.918 -3.625 0.438) 6.125 21.691 ( 5.176 -4.133 -1.222) 6.735 24.416 ( 0.602 -0.342 0.429) 0.815 24.465 ( 0.526 0.004 -0.382) 0.650 24.515 ( -0.619 0.474 0.393) 0.874 24.532 ( -0.376 0.043 -0.052) 0.382 32.324 ( -0.522 0.377 -0.665) 0.925 32.367 ( -1.328 -0.050 0.528) 1.430 32.457 ( 1.244 -0.754 -0.786) 1.654 32.478 ( 1.398 -0.062 0.463) 1.474 40.934 ( 4.810 -0.880 6.540) 8.166 41.136 ( 5.164 -1.485 1.626) 5.613 41.590 ( 3.300 0.233 1.192) 3.516 41.698 ( -1.245 2.056 -13.817) 14.024 44.701 ( 5.849 -7.652 -0.442) 9.641 44.818 ( 7.215 -9.912 0.756) 12.284 46.435 ( -14.158 15.457 6.834) 22.047 48.041 ( -13.945 8.285 -13.834) 21.319 ======================= Grid point 107 (51/129) ======================= q-point: (-0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -9.535 2.490 4.748) 10.939 1.471 ( -3.569 -1.631 -0.860) 4.017 1.635 ( -5.855 -1.566 -2.161) 6.434 2.024 ( -8.207 15.223 5.499) 18.147 2.257 ( 3.071 2.099 3.158) 4.880 2.320 ( -6.031 5.570 -3.144) 8.791 2.494 ( -3.166 5.249 -1.782) 6.383 2.801 ( 5.291 -0.796 12.391) 13.497 2.861 ( -2.780 -0.112 -3.260) 4.286 3.024 ( -6.600 7.170 0.969) 9.793 3.315 ( 5.760 -1.668 -6.299) 8.697 3.635 ( -2.298 -0.463 0.175) 2.350 3.679 ( 1.312 -5.178 -1.027) 5.439 3.761 ( -1.669 -4.277 -1.000) 4.699 3.958 ( -1.604 1.523 -2.095) 3.046 4.064 ( -0.080 8.154 2.450) 8.514 4.221 ( 0.688 0.086 1.546) 1.694 4.342 ( -3.026 3.706 1.650) 5.062 4.467 ( -1.618 -2.884 -0.063) 3.307 4.858 ( -2.720 6.317 0.490) 6.895 5.052 ( 0.201 5.091 -0.030) 5.095 5.266 ( 0.376 1.766 -4.045) 4.430 5.511 ( -1.908 -5.345 -0.563) 5.703 5.611 ( 0.754 1.811 -4.566) 4.970 6.117 ( -1.703 -0.145 1.417) 2.220 6.307 ( -1.376 0.907 1.179) 2.026 6.650 ( 0.983 0.340 1.076) 1.497 6.717 ( -0.601 -2.334 -1.599) 2.892 6.777 ( 1.966 0.162 0.864) 2.153 7.242 ( 2.150 -0.787 2.549) 3.426 7.706 ( -6.676 8.398 14.868) 18.334 7.972 ( 0.021 -3.405 -5.159) 6.181 8.618 ( 2.987 7.924 -0.211) 8.471 8.717 ( -8.297 -4.382 3.510) 10.018 9.347 ( 0.599 1.738 -1.141) 2.164 10.083 ( -1.634 6.066 -8.877) 10.875 19.087 ( -1.580 -0.092 -1.052) 1.900 19.166 ( 0.119 0.200 0.064) 0.241 19.235 ( -0.023 -1.947 1.854) 2.689 19.261 ( 0.183 2.269 -0.304) 2.296 21.315 ( -0.577 0.442 0.060) 0.729 21.465 ( 0.163 -1.270 0.007) 1.280 21.638 ( 3.736 -2.878 0.207) 4.721 21.808 ( 4.068 -3.334 -0.248) 5.265 24.433 ( 0.652 -0.399 0.336) 0.835 24.470 ( 0.538 0.165 -0.294) 0.635 24.495 ( -0.919 0.543 -0.278) 1.103 24.534 ( 0.074 0.001 0.952) 0.955 32.312 ( -0.255 -0.026 -0.313) 0.404 32.350 ( -1.192 0.115 0.615) 1.347 32.474 ( -0.252 -1.554 -1.924) 2.486 32.502 ( 1.900 0.681 0.481) 2.075 40.989 ( -0.898 0.664 -4.486) 4.623 41.223 ( 2.095 -0.298 3.767) 4.321 41.545 ( -0.849 -0.376 -11.389) 11.426 41.722 ( 5.424 -2.548 4.213) 7.325 44.868 ( 5.934 -8.196 -3.782) 10.802 45.126 ( 9.898 -11.768 2.795) 15.630 46.053 ( -14.540 15.304 6.618) 22.123 47.641 ( -10.013 10.551 -13.883) 20.108 ======================= Grid point 113 (52/129) ======================= q-point: (-0.38 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -11.567 0.000 -6.282) 13.163 1.610 ( -2.526 0.000 4.380) 5.056 1.749 ( -11.348 0.000 1.384) 11.432 2.150 ( 6.443 -0.000 4.089) 7.631 2.449 ( 1.948 -0.000 2.067) 2.840 2.508 ( -8.683 0.000 -0.991) 8.740 2.636 ( 7.224 -0.000 13.391) 15.216 2.720 ( 2.393 -0.000 6.252) 6.694 2.772 ( 4.852 -0.000 -0.518) 4.880 2.938 ( 7.614 -0.000 -6.561) 10.050 3.505 ( 2.863 -0.000 -10.888) 11.258 3.527 ( -12.432 0.000 -5.988) 13.799 3.785 ( -2.929 0.000 4.923) 5.729 3.944 ( -8.391 0.000 4.357) 9.454 4.069 ( -3.856 0.000 1.715) 4.220 4.109 ( -8.615 0.000 -5.445) 10.191 4.292 ( -4.583 0.000 6.462) 7.922 4.354 ( -1.067 0.000 -0.004) 1.067 4.567 ( -11.533 0.000 7.837) 13.944 4.993 ( -3.214 0.000 -7.404) 8.072 5.247 ( -3.206 0.000 3.551) 4.784 5.364 ( -4.323 0.000 -3.455) 5.534 5.495 ( 0.214 -0.000 2.762) 2.770 5.704 ( -2.881 0.000 -12.280) 12.613 6.243 ( -0.617 0.000 1.033) 1.203 6.381 ( -0.751 0.000 1.687) 1.847 6.542 ( -4.109 0.000 -2.966) 5.068 6.690 ( -3.700 0.000 -5.570) 6.687 6.810 ( 3.878 -0.000 4.709) 6.100 7.132 ( 2.731 -0.000 1.366) 3.054 7.859 ( -11.908 0.000 16.585) 20.417 7.990 ( -4.655 0.000 -3.789) 6.002 8.633 ( 14.037 -0.000 -0.234) 14.039 8.753 ( -7.412 0.000 4.295) 8.566 9.431 ( -1.418 0.000 -0.215) 1.434 10.345 ( 0.278 -0.000 -5.582) 5.589 19.124 ( -3.073 0.000 -1.028) 3.241 19.162 ( 0.282 -0.000 0.217) 0.356 19.187 ( 0.006 -0.000 1.633) 1.633 19.318 ( 1.209 -0.000 -1.477) 1.909 21.357 ( 0.012 -0.000 0.723) 0.723 21.396 ( 0.617 -0.000 -0.623) 0.877 21.476 ( 4.762 -0.000 1.197) 4.910 21.630 ( 5.462 -0.000 -1.330) 5.622 24.412 ( 0.554 -0.000 0.458) 0.719 24.465 ( 0.547 -0.000 -0.352) 0.650 24.523 ( -0.057 0.000 1.122) 1.123 24.531 ( -0.984 0.000 -0.696) 1.205 32.334 ( -0.281 0.000 -0.899) 0.942 32.360 ( -1.437 0.000 0.035) 1.437 32.443 ( -0.291 0.000 -0.886) 0.932 32.481 ( 2.166 -0.000 0.912) 2.350 40.932 ( 4.947 -0.000 5.841) 7.654 41.116 ( 6.394 -0.000 1.739) 6.627 41.600 ( 5.190 -0.000 3.360) 6.182 41.730 ( -1.774 0.000 -17.697) 17.785 44.579 ( 7.544 -0.000 3.687) 8.397 44.686 ( 2.469 -0.000 -2.635) 3.611 46.646 ( -16.961 0.000 5.730) 17.903 48.148 ( -13.815 0.000 -10.733) 17.495 ======================= Grid point 114 (53/129) ======================= q-point: (-0.25 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -9.120 -1.715 -5.693) 10.887 1.518 ( -10.705 1.966 2.414) 11.148 1.627 ( -5.670 0.263 1.418) 5.850 2.238 ( 1.204 2.508 4.419) 5.222 2.341 ( -6.529 3.618 0.437) 7.478 2.459 ( -3.382 1.405 -1.094) 3.822 2.696 ( 0.162 9.006 1.496) 9.131 2.791 ( 5.917 0.014 11.509) 12.941 2.852 ( -2.869 1.310 -2.218) 3.856 3.048 ( 1.219 -9.296 1.256) 9.460 3.259 ( -5.111 4.739 -6.051) 9.230 3.484 ( -5.018 -5.974 -7.846) 11.065 3.702 ( -9.764 3.839 0.390) 10.499 3.782 ( -7.739 1.061 2.818) 8.304 3.978 ( -3.193 1.443 -1.243) 3.718 4.096 ( -3.307 -6.597 1.144) 7.467 4.220 ( -5.576 3.335 7.246) 9.733 4.375 ( -3.437 -1.345 5.139) 6.327 4.452 ( -5.097 0.206 3.030) 5.933 4.907 ( -3.658 -0.455 -6.503) 7.475 5.193 ( -1.956 4.654 2.861) 5.802 5.306 ( -2.876 -1.715 -3.039) 4.522 5.463 ( -2.216 3.820 -1.197) 4.575 5.616 ( -1.480 -1.672 -9.187) 9.455 6.171 ( -4.097 3.444 -1.117) 5.467 6.364 ( -0.616 3.597 3.031) 4.744 6.537 ( -1.638 -6.911 -1.406) 7.240 6.616 ( -5.119 -4.385 -5.770) 8.873 6.857 ( 3.225 4.070 3.313) 6.160 7.194 ( 2.183 -2.186 2.663) 4.078 7.778 ( -12.736 -0.004 20.163) 23.849 7.909 ( -3.733 -1.732 -5.038) 6.506 8.666 ( -8.803 -0.323 5.109) 10.184 8.816 ( 15.121 5.074 -1.268) 16.000 9.398 ( -1.036 1.404 -0.596) 1.844 10.267 ( -1.472 5.646 -7.475) 9.483 19.081 ( -2.277 -0.195 -0.869) 2.445 19.164 ( -0.171 -0.149 0.149) 0.272 19.202 ( 0.138 -0.606 1.923) 2.021 19.315 ( 0.748 1.388 -1.558) 2.216 21.353 ( 1.307 2.009 0.454) 2.440 21.425 ( 1.333 -1.736 -0.354) 2.217 21.569 ( 5.266 -1.764 1.085) 5.658 21.726 ( 6.045 -2.238 -0.520) 6.467 24.424 ( 0.683 -0.205 0.442) 0.839 24.472 ( 0.679 0.029 -0.188) 0.705 24.510 ( -1.023 0.445 -0.525) 1.233 24.530 ( -0.110 -0.197 1.402) 1.420 32.317 ( -0.594 0.457 -0.860) 1.140 32.345 ( -1.331 -0.523 0.247) 1.451 32.436 ( -0.630 -1.002 -1.432) 1.858 32.512 ( 1.777 0.170 0.352) 1.819 41.023 ( 4.872 1.240 0.587) 5.061 41.224 ( 6.288 0.137 3.000) 6.969 41.581 ( -1.746 2.188 -19.194) 19.398 41.694 ( 4.366 -0.569 2.044) 4.854 44.710 ( 5.302 -2.255 -1.553) 5.967 44.811 ( 8.822 -9.893 2.621) 13.512 46.353 ( -20.970 6.436 5.546) 22.626 47.833 ( -17.250 3.906 -10.740) 20.693 ======================= Grid point 115 (54/129) ======================= q-point: (-0.12 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -9.899 -1.812 0.453) 10.074 1.353 ( -10.886 -4.298 -4.008) 12.371 1.573 ( -1.561 2.483 3.968) 4.934 2.047 ( -13.174 9.443 1.359) 16.266 2.211 ( -11.849 4.672 -5.318) 13.803 2.338 ( 0.028 2.411 4.260) 4.895 2.562 ( -1.253 9.683 0.527) 9.778 2.710 ( -11.242 -5.158 -2.966) 12.720 2.951 ( 3.856 -0.836 7.821) 8.760 3.033 ( -2.327 2.846 5.631) 6.725 3.326 ( 2.947 -3.638 -5.455) 7.188 3.490 ( -5.826 -10.770 -1.540) 12.342 3.589 ( -2.551 -6.040 0.039) 6.557 3.709 ( -2.780 0.233 -0.910) 2.934 3.919 ( -3.461 -0.863 -1.875) 4.030 4.134 ( -4.544 1.904 4.735) 6.833 4.167 ( 0.308 -5.580 0.687) 5.631 4.301 ( -5.654 2.613 4.500) 7.684 4.461 ( 0.393 -0.469 -0.379) 0.720 4.814 ( -6.752 0.386 -3.591) 7.657 5.130 ( -0.074 5.235 4.601) 6.970 5.257 ( -1.165 1.800 -4.519) 5.002 5.402 ( -2.643 -4.826 -3.280) 6.406 5.591 ( 0.013 -1.032 -4.872) 4.980 6.090 ( -2.884 0.169 0.827) 3.005 6.315 ( -1.399 2.449 1.392) 3.145 6.567 ( -4.743 -5.918 -3.142) 8.209 6.645 ( 0.212 -6.880 -1.636) 7.075 6.855 ( 2.729 4.458 3.172) 6.114 7.250 ( -0.767 -1.405 2.019) 2.576 7.696 ( -11.737 0.895 16.236) 20.054 7.947 ( 3.945 -7.447 3.561) 9.149 8.563 ( -8.802 0.832 5.444) 10.383 8.884 ( 11.432 12.571 -4.455) 17.566 9.369 ( 0.191 1.424 -1.028) 1.767 10.092 ( -2.303 7.524 -10.954) 13.487 19.056 ( -1.232 -0.550 -1.039) 1.703 19.163 ( -0.375 -0.293 0.018) 0.476 19.225 ( -0.114 -1.134 2.039) 2.336 19.293 ( 0.543 2.146 -0.620) 2.299 21.352 ( 2.300 2.524 0.598) 3.466 21.465 ( 1.793 -0.899 -0.159) 2.012 21.664 ( 3.628 -1.529 0.588) 3.981 21.836 ( 4.756 -2.064 0.090) 5.185 24.439 ( 0.537 -0.229 0.338) 0.674 24.480 ( 0.659 0.209 -0.034) 0.692 24.486 ( -0.848 0.418 -0.463) 1.052 24.540 ( -0.025 -0.104 1.874) 1.877 32.304 ( -0.368 -0.202 -0.550) 0.692 32.336 ( -0.873 -0.411 0.591) 1.131 32.433 ( -1.111 -1.552 -1.852) 2.659 32.529 ( 0.955 0.300 -0.454) 1.099 40.958 ( -2.888 6.815 -16.905) 18.455 41.290 ( 1.563 2.685 3.762) 4.879 41.480 ( 2.081 -1.673 -10.135) 10.480 41.781 ( 3.733 -1.807 4.083) 5.819 44.834 ( 5.963 -6.929 -3.734) 9.874 45.123 ( 8.825 -11.651 2.959) 14.913 45.979 ( -20.400 7.974 4.805) 22.424 47.522 ( -8.773 0.999 -10.561) 13.766 ======================= Grid point 122 (55/129) ======================= q-point: (-0.25 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -4.809 0.000 -4.792) 6.789 1.300 ( -18.795 0.000 -2.333) 18.939 1.616 ( -0.135 0.000 5.701) 5.703 2.231 ( -9.808 0.000 -0.741) 9.836 2.284 ( -5.285 0.000 3.138) 6.147 2.394 ( -5.876 0.000 -1.340) 6.027 2.590 ( -24.733 0.000 -6.978) 25.699 2.820 ( 1.571 -0.000 3.334) 3.686 2.889 ( -1.052 0.000 2.711) 2.908 3.106 ( 7.972 -0.000 12.562) 14.878 3.203 ( -5.996 0.000 -3.124) 6.761 3.231 ( -11.116 0.000 -8.776) 14.163 3.605 ( -9.442 0.000 6.239) 11.317 3.623 ( -8.964 0.000 -1.952) 9.174 3.962 ( -1.787 0.000 -4.035) 4.413 3.989 ( -4.144 0.000 1.751) 4.499 4.233 ( -2.774 0.000 12.318) 12.626 4.366 ( -5.523 0.000 -0.297) 5.531 4.383 ( -0.032 0.000 3.123) 3.123 4.817 ( -3.140 0.000 -7.208) 7.863 5.217 ( -2.658 0.000 -4.289) 5.046 5.240 ( -0.642 0.000 6.251) 6.284 5.479 ( -2.310 0.000 -1.198) 2.602 5.502 ( -1.559 0.000 -11.033) 11.143 6.122 ( -4.893 0.000 -0.272) 4.900 6.433 ( -2.247 0.000 -1.151) 2.525 6.436 ( 0.869 -0.000 3.554) 3.659 6.449 ( -6.313 0.000 -6.888) 9.344 6.949 ( 2.943 -0.000 2.816) 4.073 7.206 ( -0.281 0.000 2.839) 2.853 7.732 ( -11.088 0.000 27.138) 29.316 7.801 ( -3.937 0.000 -6.163) 7.313 8.577 ( -7.730 0.000 5.522) 9.500 9.072 ( 15.784 -0.000 -2.514) 15.983 9.387 ( -0.854 0.000 -0.993) 1.310 10.238 ( -2.192 0.000 -10.574) 10.799 19.048 ( -1.609 0.000 -0.675) 1.745 19.158 ( -0.480 0.000 -0.159) 0.505 19.210 ( -0.014 0.000 2.177) 2.178 19.326 ( 0.739 -0.000 -1.573) 1.738 21.405 ( 2.797 -0.000 0.491) 2.840 21.436 ( 2.316 -0.000 -0.090) 2.317 21.639 ( 4.947 -0.000 1.233) 5.098 21.799 ( 6.302 -0.000 -0.163) 6.305 24.435 ( 0.690 -0.000 0.422) 0.809 24.482 ( 0.818 -0.000 0.009) 0.818 24.494 ( -1.021 0.000 -0.628) 1.199 24.538 ( -0.067 0.000 2.508) 2.509 32.305 ( -0.758 0.000 -1.272) 1.480 32.325 ( -1.063 0.000 0.474) 1.163 32.408 ( -1.110 0.000 -1.439) 1.817 32.532 ( 0.918 -0.000 -0.466) 1.030 41.086 ( 4.402 -0.000 -13.261) 13.973 41.340 ( 7.069 -0.000 2.210) 7.407 41.445 ( -3.087 0.000 -18.725) 18.978 41.764 ( 3.446 -0.000 3.224) 4.719 44.762 ( 4.531 -0.000 -2.657) 5.252 44.882 ( 9.445 -0.000 4.517) 10.470 46.092 ( -23.604 0.000 4.248) 23.983 47.535 ( -18.738 0.000 -10.791) 21.623 ======================= Grid point 123 (56/129) ======================= q-point: (-0.12 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -20.594 -1.820 -0.845) 20.691 1.124 ( -8.628 -1.582 -2.782) 9.203 1.643 ( -0.481 3.354 7.387) 8.127 1.921 ( -18.390 6.782 -1.157) 19.634 2.101 ( -8.567 4.077 -3.447) 10.095 2.302 ( -16.944 -11.055 -0.009) 20.231 2.347 ( -10.367 -4.403 -0.575) 11.278 2.699 ( -2.114 11.149 1.376) 11.430 2.900 ( -11.860 1.667 -4.388) 12.755 3.003 ( -3.414 -9.600 2.810) 10.569 3.159 ( -8.524 -7.508 -1.659) 11.480 3.361 ( -0.917 -5.184 8.373) 9.891 3.517 ( 2.508 -2.838 2.596) 4.591 3.622 ( -2.822 -5.628 2.327) 6.712 3.862 ( -2.888 3.346 -4.123) 6.045 4.015 ( -1.800 -6.796 0.707) 7.066 4.238 ( 0.071 4.701 5.979) 7.606 4.263 ( -4.761 0.495 -1.056) 4.901 4.425 ( -1.184 -2.897 0.654) 3.197 4.718 ( -4.778 2.516 -6.158) 8.190 5.188 ( -0.464 -3.140 -2.442) 4.005 5.248 ( -1.466 4.324 6.697) 8.105 5.337 ( -1.556 5.319 -5.225) 7.617 5.527 ( 0.668 -5.341 -6.012) 8.069 6.058 ( -2.943 0.504 1.561) 3.370 6.316 ( -3.795 1.211 -3.213) 5.118 6.424 ( -1.571 -3.547 0.046) 3.880 6.536 ( -0.011 -8.135 -0.309) 8.141 6.975 ( 3.098 4.154 2.893) 5.935 7.210 ( -3.238 -1.617 1.817) 4.050 7.652 ( -8.381 4.688 12.087) 15.437 7.902 ( 2.134 -13.416 17.688) 22.303 8.497 ( -6.695 0.986 5.335) 8.617 9.188 ( 11.191 11.178 -6.261) 17.011 9.380 ( 1.344 -0.184 -1.293) 1.874 10.067 ( -4.672 6.133 -17.370) 19.004 19.029 ( -0.839 -0.471 -0.709) 1.196 19.151 ( -0.500 -0.374 -0.323) 0.703 19.222 ( -0.414 -0.408 2.079) 2.158 19.322 ( 0.744 1.213 -0.590) 1.540 21.433 ( 3.252 2.361 0.742) 4.087 21.485 ( 2.646 -1.062 -0.030) 2.851 21.709 ( 3.359 -0.072 0.773) 3.448 21.890 ( 5.127 -0.676 -0.046) 5.171 24.447 ( 0.502 -0.015 0.335) 0.604 24.475 ( -0.864 0.327 -0.420) 1.015 24.494 ( 0.883 0.080 -0.032) 0.888 24.555 ( 0.207 0.237 3.575) 3.589 32.289 ( -0.717 -0.297 -0.900) 1.188 32.322 ( -0.411 -0.841 0.710) 1.174 32.389 ( -1.351 -0.883 -1.443) 2.165 32.535 ( 0.217 0.133 -1.126) 1.154 40.854 ( -8.221 9.800 -39.505) 41.525 41.347 ( -0.494 2.205 1.646) 2.796 41.472 ( 6.111 -3.077 -2.414) 7.255 41.828 ( 2.013 -0.764 4.257) 4.771 44.827 ( 4.883 -2.975 -2.767) 6.352 45.116 ( 7.780 -9.799 3.350) 12.952 45.759 ( -21.709 2.803 2.828) 22.071 47.275 ( -10.005 -9.211 -14.175) 19.644 ======================= Grid point 131 (57/129) ======================= q-point: (-0.12 -0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -20.586 0.000 4.861) 21.152 0.938 ( -20.531 0.000 0.121) 20.531 1.429 ( -41.155 0.000 7.232) 41.786 1.807 ( 1.803 -0.000 4.328) 4.688 1.919 ( -6.589 0.000 -6.486) 9.246 2.060 ( -4.498 0.000 -2.584) 5.187 2.162 ( -12.526 0.000 1.355) 12.599 2.692 ( -9.969 0.000 -5.840) 11.553 2.715 ( -12.259 0.000 3.142) 12.656 2.872 ( 0.454 -0.000 0.161) 0.482 3.037 ( -2.642 0.000 -0.643) 2.719 3.242 ( -13.280 0.000 5.647) 14.431 3.594 ( 1.308 -0.000 4.586) 4.768 3.639 ( 9.104 -0.000 5.681) 10.731 3.823 ( -3.768 0.000 -5.000) 6.261 3.963 ( 1.259 -0.000 1.459) 1.927 4.176 ( -4.365 0.000 -2.862) 5.219 4.290 ( -2.222 0.000 3.471) 4.121 4.403 ( 0.422 -0.000 -0.412) 0.590 4.644 ( -4.153 0.000 -6.633) 7.825 5.114 ( -0.936 0.000 -4.740) 4.832 5.355 ( 0.609 -0.000 7.584) 7.609 5.373 ( 0.047 -0.000 -2.421) 2.421 5.436 ( 2.939 -0.000 -4.433) 5.318 6.036 ( -1.904 0.000 2.771) 3.362 6.230 ( -3.210 0.000 -4.140) 5.239 6.421 ( 0.925 -0.000 -0.325) 0.980 6.474 ( -0.182 0.000 2.231) 2.239 7.063 ( 3.057 -0.000 1.959) 3.631 7.147 ( -4.751 0.000 1.489) 4.979 7.691 ( -0.070 0.000 -2.174) 2.175 7.986 ( 7.971 -0.000 46.922) 47.594 8.443 ( -5.495 0.000 4.384) 7.030 9.371 ( 0.596 -0.000 -1.248) 1.383 9.393 ( 7.918 -0.000 -12.357) 14.676 9.842 ( -15.495 0.000 -33.813) 37.194 19.014 ( -0.410 0.000 -0.258) 0.485 19.138 ( -0.426 0.000 -0.707) 0.825 19.223 ( -0.742 0.000 1.932) 2.069 19.339 ( 0.801 -0.000 -0.013) 0.802 21.501 ( 2.754 -0.000 0.730) 2.849 21.510 ( 2.349 -0.000 -0.057) 2.350 21.755 ( 2.282 -0.000 0.247) 2.295 21.955 ( 4.167 -0.000 -0.300) 4.178 24.454 ( 0.240 -0.000 -0.115) 0.266 24.467 ( -0.413 0.000 0.159) 0.442 24.506 ( 0.723 -0.000 -0.424) 0.838 24.599 ( 1.985 -0.000 5.338) 5.696 32.275 ( -0.296 0.000 0.756) 0.812 32.315 ( 0.009 -0.000 0.616) 0.616 32.358 ( -1.283 0.000 -0.915) 1.576 32.530 ( 0.044 -0.000 -1.327) 1.328 40.470 ( -19.898 0.000 -50.157) 53.960 41.367 ( -0.489 0.000 1.970) 2.030 41.522 ( 5.214 -0.000 -2.622) 5.836 41.865 ( -0.208 0.000 6.103) 6.106 44.867 ( 3.908 -0.000 -1.500) 4.186 45.160 ( 6.344 -0.000 3.149) 7.083 45.492 ( -18.349 0.000 0.855) 18.369 46.853 ( -19.512 0.000 -27.416) 33.651 ======================= Grid point 132 (58/129) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 7.118 -0.000 17.203) 18.618 0.834 ( -7.438 0.000 18.533) 19.970 1.289 ( 2.614 -0.000 13.894) 14.138 1.651 ( 6.288 -0.000 -6.361) 8.944 1.867 ( 1.943 -0.000 -0.189) 1.952 2.127 ( 7.671 -0.000 -3.480) 8.424 2.219 ( 1.993 -0.000 13.504) 13.650 2.432 ( -8.560 0.000 -3.882) 9.399 2.456 ( -1.723 0.000 -0.482) 1.789 2.787 ( -1.554 0.000 -2.649) 3.071 2.868 ( -0.361 0.000 -1.001) 1.064 2.945 ( -5.344 0.000 -2.803) 6.034 3.443 ( -2.010 0.000 -2.631) 3.311 3.594 ( -3.729 0.000 -4.777) 6.060 3.837 ( -1.120 0.000 -0.227) 1.142 4.003 ( -6.428 0.000 -2.961) 7.077 4.060 ( 0.412 -0.000 1.035) 1.114 4.314 ( -0.282 0.000 -3.637) 3.648 4.372 ( -3.221 0.000 3.652) 4.870 4.647 ( 13.679 -0.000 -4.637) 14.444 5.120 ( 6.645 -0.000 0.278) 6.650 5.136 ( -2.346 0.000 -2.671) 3.555 5.561 ( -10.040 0.000 2.796) 10.423 5.564 ( 8.846 -0.000 2.231) 9.123 6.129 ( -2.242 0.000 2.290) 3.205 6.154 ( 3.586 -0.000 -1.452) 3.869 6.479 ( 2.208 -0.000 1.219) 2.522 6.517 ( -3.345 0.000 1.264) 3.576 7.086 ( 1.281 -0.000 1.357) 1.866 7.120 ( -27.719 0.000 2.136) 27.801 7.227 ( -4.585 0.000 9.217) 10.295 7.782 ( 3.910 -0.000 -0.016) 3.910 8.403 ( -7.781 0.000 6.096) 9.885 9.332 ( 15.336 -0.000 -14.448) 21.070 9.369 ( 1.920 -0.000 -0.952) 2.143 9.515 ( 3.815 -0.000 -6.024) 7.130 19.035 ( 0.197 -0.000 0.536) 0.571 19.097 ( -0.101 0.000 -1.266) 1.270 19.245 ( -1.203 0.000 1.621) 2.019 19.337 ( 0.359 -0.000 -0.792) 0.870 21.535 ( 1.296 -0.000 0.736) 1.490 21.563 ( -0.968 0.000 0.535) 1.106 21.836 ( 0.305 -0.000 2.041) 2.063 21.972 ( -0.256 0.000 -1.879) 1.896 24.445 ( -0.004 0.000 -0.094) 0.094 24.473 ( -1.381 0.000 -0.905) 1.651 24.490 ( 0.400 -0.000 0.874) 0.961 24.530 ( -2.315 0.000 -0.079) 2.316 32.308 ( -0.380 0.000 0.241) 0.450 32.380 ( 0.901 -0.000 1.538) 1.783 32.389 ( 0.545 -0.000 -0.883) 1.038 32.480 ( 0.000 -0.000 -1.946) 1.946 41.202 ( -4.872 0.000 -4.185) 6.423 41.402 ( 3.008 -0.000 -9.147) 9.629 41.991 ( -13.491 0.000 8.598) 15.998 42.487 ( 78.451 -0.000 -4.113) 78.559 44.856 ( 1.486 -0.000 -1.458) 2.082 44.996 ( -6.967 0.000 -5.054) 8.607 45.384 ( -11.900 0.000 2.730) 12.209 45.398 ( 2.127 -0.000 2.510) 3.290 ======================= Grid point 133 (59/129) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 7.742 -10.644 16.323) 20.968 1.204 ( 14.487 -12.953 9.898) 21.809 1.507 ( 9.306 -8.585 1.877) 12.799 1.855 ( 9.020 -7.565 -2.520) 12.039 1.888 ( 4.946 -3.831 2.736) 6.829 2.210 ( 2.465 -2.352 -3.989) 5.246 2.277 ( -3.231 1.188 2.947) 4.531 2.428 ( 3.167 -7.897 4.512) 9.631 2.511 ( 4.663 -9.494 -0.580) 10.593 2.751 ( 1.332 2.081 1.344) 2.813 2.863 ( 4.033 -0.365 1.672) 4.381 3.025 ( 4.387 -10.899 -5.868) 13.133 3.402 ( 1.752 3.766 -1.385) 4.378 3.552 ( -1.327 -3.846 -3.563) 5.408 3.897 ( 2.522 -6.375 0.130) 6.857 3.914 ( -7.369 -4.105 -0.883) 8.481 4.077 ( 0.812 0.664 1.101) 1.521 4.285 ( -0.489 -0.270 -3.548) 3.591 4.336 ( -2.695 -0.397 1.093) 2.935 4.768 ( 12.759 6.777 -6.086) 15.677 5.019 ( -8.415 4.284 0.603) 9.462 5.225 ( 5.222 -3.030 -1.157) 6.147 5.387 ( -8.192 3.288 2.567) 9.193 5.713 ( 7.463 1.028 2.877) 8.064 6.114 ( 1.170 -0.070 1.090) 1.601 6.226 ( 5.262 -2.196 -1.503) 5.897 6.461 ( -3.335 0.482 1.615) 3.736 6.583 ( 1.995 -6.892 0.037) 7.175 6.897 ( -8.133 0.542 8.161) 11.534 7.152 ( 3.665 -1.141 3.164) 4.974 7.271 ( -2.672 -5.152 9.572) 11.194 7.880 ( 3.976 -5.078 -2.760) 7.015 8.348 ( -5.855 -2.555 6.386) 9.033 9.328 ( 3.125 4.004 -7.076) 8.711 9.371 ( -3.529 2.897 -3.555) 5.787 9.611 ( 10.377 -5.471 -14.476) 18.633 19.048 ( 0.511 -0.862 0.764) 1.260 19.098 ( -0.199 -1.135 -1.540) 1.923 19.241 ( -0.819 -0.160 1.686) 1.881 19.339 ( 1.044 0.891 -0.633) 1.511 21.518 ( -3.191 2.045 0.004) 3.790 21.551 ( -0.196 0.067 0.922) 0.944 21.810 ( -1.677 3.592 2.024) 4.451 21.931 ( -1.202 2.288 -1.760) 3.127 24.444 ( -0.249 0.083 0.046) 0.266 24.450 ( -0.626 0.124 0.049) 0.639 24.505 ( 0.266 -0.104 0.903) 0.947 24.513 ( -0.271 -0.242 -0.004) 0.363 32.309 ( -0.090 -0.352 0.623) 0.722 32.383 ( -0.666 0.015 -0.504) 0.835 32.404 ( 1.318 -0.353 1.168) 1.796 32.472 ( 0.531 0.042 -2.152) 2.217 41.104 ( -5.412 0.047 -3.378) 6.380 41.390 ( 0.824 -0.076 -8.440) 8.480 41.756 ( -15.508 5.534 1.325) 16.519 42.728 ( 21.029 46.511 -3.148) 51.141 44.933 ( -1.286 -4.149 -2.376) 4.951 45.148 ( 11.192 -15.696 -3.598) 19.611 45.382 ( 0.153 -0.212 3.664) 3.673 45.791 ( 17.712 -39.444 -12.019) 44.877 ======================= Grid point 134 (60/129) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 8.635 -11.161 13.711) 19.676 1.456 ( 3.689 -4.503 4.262) 7.215 1.676 ( 3.708 -0.268 -2.820) 4.667 1.835 ( -3.455 3.757 0.440) 5.123 2.094 ( 4.951 -2.961 3.552) 6.774 2.238 ( 0.740 0.164 0.318) 0.822 2.415 ( 7.139 -10.939 -1.973) 13.210 2.540 ( 1.251 -4.133 -3.104) 5.318 2.710 ( -0.255 -10.980 3.306) 11.470 2.792 ( 4.428 -2.111 3.862) 6.243 3.113 ( 8.605 -1.880 -6.908) 11.194 3.211 ( 16.360 -14.710 -2.387) 22.130 3.493 ( 3.978 -11.096 0.608) 11.804 3.596 ( 0.547 -5.510 -0.719) 5.584 3.883 ( -5.216 -5.001 2.076) 7.518 4.001 ( 1.308 0.711 1.770) 2.313 4.087 ( 3.648 -0.376 1.240) 3.871 4.310 ( -0.772 -3.115 -0.777) 3.301 4.342 ( 2.715 -5.251 -1.445) 6.085 4.746 ( 3.533 10.515 -5.075) 12.199 4.895 ( -3.463 -1.271 1.291) 3.909 5.276 ( 0.140 2.911 -2.327) 3.730 5.354 ( 2.873 -4.890 0.620) 5.705 5.752 ( 3.842 6.150 1.032) 7.324 6.162 ( 3.081 -0.676 -0.280) 3.166 6.313 ( 2.748 -0.561 -0.733) 2.898 6.474 ( 2.366 -4.480 2.099) 5.483 6.675 ( 1.572 -3.763 -1.273) 4.272 6.866 ( -2.255 1.405 7.374) 7.838 7.217 ( 1.077 -0.892 2.081) 2.507 7.396 ( -2.971 -11.176 11.470) 16.288 7.971 ( 6.292 -0.191 -3.548) 7.226 8.384 ( -3.538 -7.047 7.563) 10.925 9.172 ( -9.270 5.038 -4.449) 11.451 9.317 ( 2.768 4.040 -2.077) 5.319 9.714 ( 7.016 -3.060 -15.329) 17.134 19.068 ( -0.266 -0.797 -0.263) 0.880 19.108 ( 0.597 -1.627 -0.455) 1.792 19.243 ( -0.512 -0.124 1.733) 1.812 19.335 ( 0.914 1.602 -0.090) 1.847 21.421 ( -4.511 3.181 -0.568) 5.549 21.540 ( -1.511 0.743 0.877) 1.898 21.740 ( -1.556 3.815 1.014) 4.243 21.884 ( -0.109 1.954 -0.830) 2.126 24.443 ( 0.398 0.138 0.173) 0.455 24.446 ( -0.339 -0.341 -0.011) 0.481 24.498 ( -0.551 0.218 -0.077) 0.598 24.531 ( 0.902 -0.352 1.050) 1.428 32.318 ( 0.173 -0.153 0.871) 0.901 32.369 ( -0.945 0.004 0.034) 0.945 32.438 ( 1.452 -0.967 -0.048) 1.745 32.468 ( 0.366 -0.086 -2.074) 2.107 41.004 ( -6.434 0.684 -3.195) 7.216 41.298 ( -7.471 0.977 -6.583) 10.006 41.523 ( -4.086 3.430 -5.527) 7.682 42.366 ( 5.781 32.990 4.128) 33.746 44.934 ( -0.807 -1.707 -3.714) 4.167 45.387 ( -2.019 -0.424 2.354) 3.130 45.508 ( 8.939 -15.490 3.477) 18.219 46.461 ( 20.547 -29.299 -19.187) 40.605 ======================= Grid point 135 (61/129) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.204 1.740 -1.889) 2.576 1.585 ( -1.654 4.513 2.465) 5.402 1.671 ( 0.306 -1.364 8.934) 9.042 1.794 ( -1.290 -4.615 2.253) 5.295 2.176 ( 1.965 2.365 -3.414) 4.594 2.281 ( 1.164 -4.444 6.333) 7.823 2.443 ( 1.109 5.116 0.187) 5.238 2.662 ( 2.217 -8.126 -5.370) 9.989 2.832 ( -0.735 -8.687 -1.950) 8.933 2.974 ( 6.397 -5.773 7.356) 11.329 3.139 ( 5.082 0.538 -7.163) 8.800 3.510 ( -2.429 -5.494 -3.201) 6.807 3.666 ( 2.165 -10.552 -0.880) 10.808 3.738 ( 5.701 -6.182 1.535) 8.548 3.925 ( 1.835 -2.779 0.582) 3.381 3.983 ( -0.809 1.195 2.615) 2.987 4.188 ( 5.391 -0.365 1.653) 5.650 4.336 ( 5.222 2.215 1.816) 5.956 4.471 ( 0.231 -5.027 -1.025) 5.136 4.654 ( -1.486 -3.005 -3.796) 5.065 4.937 ( 3.529 -3.047 0.530) 4.693 5.236 ( 1.457 2.914 -1.668) 3.660 5.462 ( 2.716 -4.392 -1.249) 5.313 5.703 ( 2.609 8.196 -0.386) 8.610 6.204 ( 1.578 0.077 1.059) 1.902 6.321 ( -0.909 -0.230 1.907) 2.125 6.617 ( 5.097 -3.992 -0.030) 6.474 6.710 ( 0.578 0.054 -2.130) 2.207 6.856 ( 0.508 2.337 5.109) 5.641 7.232 ( -1.885 -1.947 -0.682) 2.794 7.589 ( -4.347 -17.381 11.478) 21.278 8.038 ( 11.145 6.660 -0.336) 12.987 8.479 ( -3.520 -7.877 7.244) 11.266 8.940 ( -10.360 6.408 0.737) 12.204 9.298 ( 1.551 1.811 -2.184) 3.234 9.731 ( 4.601 -0.175 -15.881) 16.535 19.057 ( -0.726 0.066 -1.571) 1.732 19.147 ( 0.948 -1.703 0.953) 2.170 19.247 ( -0.328 -0.242 1.583) 1.635 19.322 ( 0.338 1.909 0.530) 2.010 21.331 ( -2.466 1.758 -0.057) 3.029 21.499 ( -1.945 1.424 -0.085) 2.412 21.697 ( -0.139 1.515 0.480) 1.595 21.867 ( 0.538 0.935 -0.222) 1.102 24.445 ( -0.216 -0.180 0.258) 0.382 24.453 ( 0.605 -0.272 -0.168) 0.684 24.487 ( -0.468 0.238 -0.203) 0.563 24.553 ( 0.742 -0.200 1.220) 1.442 32.324 ( 0.143 0.388 0.586) 0.717 32.361 ( -0.441 -0.137 0.746) 0.877 32.444 ( -0.155 0.291 -2.889) 2.908 32.478 ( 0.645 -1.231 -0.321) 1.426 40.839 ( -8.615 3.515 -6.792) 11.520 41.176 ( -6.364 -4.185 -4.735) 8.969 41.458 ( 2.352 2.567 -4.164) 5.428 42.119 ( 2.941 18.258 3.529) 18.827 44.921 ( 0.880 0.472 -4.181) 4.299 45.366 ( -3.299 -0.644 1.731) 3.780 45.794 ( 1.481 -11.607 6.097) 13.194 46.924 ( 18.119 -14.580 -16.321) 28.412 ======================= Grid point 136 (62/129) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -1.047 8.135 -4.440) 9.326 1.539 ( -3.924 6.318 2.573) 7.870 1.642 ( -1.652 2.540 11.130) 11.535 1.874 ( -1.605 -3.318 0.489) 3.718 2.107 ( -3.545 0.947 -1.878) 4.122 2.398 ( 1.604 -2.994 7.445) 8.183 2.433 ( 2.475 1.279 1.143) 3.011 2.690 ( -5.497 -2.575 -3.001) 6.771 2.883 ( -1.019 -4.816 -8.070) 9.453 3.150 ( 7.949 -2.093 -4.752) 9.495 3.191 ( 3.721 -0.224 5.821) 6.912 3.475 ( -5.811 -4.144 -3.307) 7.866 3.696 ( -5.105 -1.830 1.868) 5.736 3.852 ( 1.203 -0.264 -0.578) 1.361 3.956 ( 1.966 6.300 2.271) 6.980 4.011 ( 3.251 -3.727 -0.027) 4.945 4.240 ( 0.033 -1.997 0.462) 2.050 4.365 ( 2.887 4.106 -0.537) 5.048 4.446 ( -2.370 2.785 -0.953) 3.779 4.724 ( -1.554 -5.572 -0.679) 5.824 5.030 ( 3.185 -2.255 -0.945) 4.016 5.234 ( 1.252 -0.187 1.634) 2.067 5.510 ( 0.023 -0.308 -1.641) 1.669 5.608 ( 0.989 9.547 -2.390) 9.891 6.205 ( -1.468 1.928 4.271) 4.911 6.332 ( -0.513 -0.688 2.136) 2.302 6.618 ( -3.982 2.822 -1.501) 5.107 6.709 ( 2.544 1.297 -1.675) 3.311 6.887 ( 2.651 1.012 3.365) 4.402 7.214 ( -3.150 -2.434 -2.361) 4.628 7.792 ( -6.974 -13.072 7.346) 16.537 8.187 ( 19.060 0.594 3.572) 19.400 8.540 ( -4.995 -4.754 6.655) 9.583 8.741 ( -8.698 4.930 4.729) 11.060 9.292 ( 0.299 -0.757 -2.565) 2.691 9.697 ( 4.469 1.405 -16.701) 17.346 19.037 ( -0.354 0.392 -1.536) 1.625 19.177 ( 0.306 -0.331 1.133) 1.220 19.261 ( 0.322 -0.999 1.170) 1.572 19.302 ( -0.357 1.701 1.038) 2.024 21.318 ( 0.932 -1.056 1.003) 1.729 21.463 ( -0.581 0.480 -1.347) 1.544 21.693 ( 0.200 -0.122 0.443) 0.501 21.869 ( 0.718 0.045 -0.320) 0.787 24.447 ( -0.309 -0.420 0.413) 0.665 24.462 ( 0.225 -0.133 -0.436) 0.508 24.480 ( 0.181 0.145 -0.188) 0.298 24.570 ( 0.361 -0.264 1.238) 1.316 32.317 ( -0.248 0.670 0.126) 0.725 32.367 ( 0.227 0.219 1.457) 1.491 32.414 ( -0.933 0.547 -2.324) 2.564 32.494 ( 0.112 -0.879 -1.303) 1.576 40.621 ( -8.394 4.643 -7.705) 12.304 41.158 ( -3.222 -6.735 -4.697) 8.820 41.467 ( 3.830 1.332 -0.188) 4.060 41.993 ( 1.463 8.813 1.422) 9.046 44.902 ( 1.850 1.964 -4.261) 5.044 45.335 ( -3.713 -1.120 1.940) 4.336 45.894 ( -6.558 -3.938 6.377) 9.959 47.185 ( 15.614 -1.133 -15.785) 22.232 ======================= Grid point 137 (63/129) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -4.749 7.606 1.670) 9.121 1.374 ( -1.354 15.326 8.831) 17.740 1.678 ( -0.283 -0.176 5.351) 5.362 1.832 ( -2.233 1.544 -1.543) 3.123 2.067 ( -1.712 -0.016 1.872) 2.537 2.440 ( -7.834 -1.411 -0.938) 8.015 2.459 ( -1.994 -0.723 5.907) 6.276 2.573 ( -2.691 2.484 -2.509) 4.439 2.800 ( -6.777 3.911 -8.087) 11.253 3.199 ( 3.417 1.889 -3.399) 5.177 3.256 ( -1.965 2.444 3.180) 4.466 3.447 ( -1.813 -3.876 -4.838) 6.459 3.631 ( -5.970 0.899 3.214) 6.839 3.798 ( -3.995 4.072 0.212) 5.708 3.926 ( 6.667 8.982 3.959) 11.866 4.082 ( 1.464 -2.502 -2.122) 3.592 4.249 ( -1.525 0.979 -1.930) 2.648 4.311 ( -3.924 4.024 3.267) 6.501 4.372 ( -2.835 -2.519 -2.675) 4.641 4.641 ( -6.542 6.586 -1.965) 9.489 5.077 ( 2.232 -1.414 -3.929) 4.735 5.302 ( -0.551 -4.972 6.151) 7.928 5.405 ( -1.467 11.298 -1.935) 11.557 5.519 ( 0.081 2.258 -2.819) 3.612 6.160 ( -3.323 2.654 4.434) 6.144 6.322 ( -1.229 2.497 0.231) 2.793 6.524 ( -2.199 2.567 0.215) 3.386 6.692 ( 0.185 3.692 -0.450) 3.724 6.947 ( 3.450 -1.740 3.011) 4.898 7.182 ( -3.631 -2.025 -2.162) 4.686 7.787 ( -7.084 0.378 4.889) 8.615 8.485 ( -2.679 -10.226 -10.835) 15.138 8.599 ( 8.216 5.453 14.934) 17.896 8.630 ( -1.473 -6.083 9.522) 11.395 9.300 ( 0.704 -2.190 -3.657) 4.321 9.644 ( 4.642 3.691 -16.629) 17.654 19.023 ( 0.161 0.461 -0.983) 1.098 19.178 ( -0.149 1.030 0.829) 1.330 19.281 ( -0.966 0.976 1.437) 1.988 19.294 ( 1.012 -1.426 0.758) 1.905 21.385 ( 3.185 -2.877 1.562) 4.568 21.457 ( 0.693 -0.895 -2.261) 2.529 21.707 ( 0.201 -1.218 0.355) 1.285 21.882 ( 0.901 -0.910 -0.886) 1.558 24.452 ( -0.251 -0.589 0.543) 0.840 24.458 ( -0.390 -0.070 -0.420) 0.578 24.486 ( 0.801 0.085 -0.459) 0.927 24.585 ( -0.132 -0.779 1.054) 1.318 32.304 ( -0.407 0.635 0.386) 0.847 32.364 ( -0.483 0.825 -0.257) 0.990 32.393 ( 0.053 0.612 0.823) 1.027 32.491 ( -0.261 -0.437 -2.104) 2.165 40.410 ( -5.985 6.161 -2.829) 9.043 41.195 ( -0.884 -7.008 -4.794) 8.537 41.511 ( 3.204 0.984 0.250) 3.361 41.942 ( 0.173 1.864 1.947) 2.700 44.878 ( 2.329 2.831 -3.746) 5.241 45.314 ( -3.074 -1.445 2.726) 4.355 45.786 ( -12.872 3.036 5.288) 14.243 47.206 ( 11.619 14.173 -21.057) 27.915 ======================= Grid point 138 (64/129) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -8.112 8.064 9.336) 14.764 1.192 ( -1.448 18.398 15.270) 23.953 1.668 ( 0.599 3.811 0.010) 3.857 1.812 ( 0.501 0.555 -0.241) 0.786 2.039 ( -5.261 3.576 1.663) 6.575 2.160 ( -14.503 11.655 3.298) 18.896 2.398 ( -6.916 8.245 1.978) 10.942 2.522 ( -6.174 0.648 -5.498) 8.293 2.634 ( 0.017 -2.708 -2.034) 3.386 3.049 ( -11.897 8.981 -3.454) 15.301 3.151 ( -2.748 9.273 2.661) 10.031 3.397 ( -3.449 4.993 -7.303) 9.495 3.534 ( -9.514 -3.817 -1.870) 10.420 3.706 ( -3.029 1.188 4.405) 5.477 3.945 ( 5.189 8.216 1.307) 9.804 4.103 ( 2.164 0.495 0.063) 2.221 4.144 ( 0.010 5.173 -0.457) 5.193 4.286 ( -4.246 -2.985 2.327) 5.688 4.367 ( -2.378 -3.775 -1.705) 4.776 4.465 ( -2.693 3.816 -3.832) 6.041 5.094 ( 0.618 -1.133 -4.272) 4.463 5.198 ( -1.447 8.434 -3.594) 9.281 5.447 ( -2.249 -8.419 10.434) 13.595 5.486 ( 3.753 3.822 -3.809) 6.573 6.114 ( -2.277 1.062 3.411) 4.236 6.233 ( -1.685 5.216 -2.485) 6.018 6.502 ( 0.356 1.216 3.241) 3.480 6.620 ( -0.419 6.204 -0.039) 6.218 7.051 ( 2.623 -3.518 2.306) 4.957 7.146 ( -2.504 -1.048 -0.353) 2.737 7.684 ( -8.924 0.202 4.301) 9.908 8.383 ( -13.475 -4.048 -13.443) 19.460 8.551 ( -6.668 0.013 7.683) 10.173 8.942 ( 12.026 -2.568 6.927) 14.114 9.347 ( 4.592 -3.181 -3.894) 6.809 9.539 ( 4.047 9.350 -13.789) 17.144 19.020 ( 0.520 0.349 -0.160) 0.646 19.158 ( -0.133 1.970 -0.012) 1.974 19.266 ( -1.249 0.191 1.730) 2.143 19.327 ( 0.716 -1.090 0.063) 1.306 21.464 ( 1.923 -1.793 -1.507) 3.030 21.491 ( 2.462 -2.308 0.871) 3.485 21.736 ( 0.408 -2.279 0.641) 2.403 21.911 ( 1.364 -2.116 -1.560) 2.962 24.451 ( -0.202 0.090 -0.311) 0.381 24.461 ( -0.317 -0.955 0.532) 1.138 24.492 ( 0.702 0.185 -0.711) 1.016 24.595 ( -1.198 -1.542 0.062) 1.954 32.303 ( 0.444 -0.122 1.349) 1.425 32.342 ( -0.746 0.587 -0.299) 0.995 32.394 ( 0.577 1.474 1.739) 2.352 32.482 ( 0.026 -0.560 -2.236) 2.305 40.359 ( 9.753 3.330 14.235) 17.574 41.249 ( -0.421 -5.973 -4.322) 7.385 41.506 ( 1.237 3.214 -4.490) 5.658 41.978 ( -1.332 -4.380 6.797) 8.195 44.857 ( 2.492 2.966 -2.744) 4.747 45.316 ( -1.733 -1.499 3.578) 4.248 45.534 ( -15.222 6.619 2.557) 16.795 46.873 ( 2.149 33.489 -29.604) 44.750 ======================= Grid point 139 (65/129) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -10.086 12.774 12.929) 20.786 1.054 ( -5.689 15.336 18.108) 24.402 1.432 ( -16.821 20.452 12.017) 29.080 1.714 ( -2.735 6.205 -5.965) 9.031 1.846 ( 1.238 2.362 0.545) 2.722 2.050 ( 0.253 1.077 3.892) 4.046 2.220 ( -0.089 7.838 3.788) 8.706 2.473 ( -2.380 -3.260 -3.589) 5.401 2.613 ( -8.527 2.773 -0.861) 9.008 2.805 ( -3.731 -0.442 -4.309) 5.717 2.962 ( -6.030 7.694 0.297) 9.780 3.153 ( -9.351 8.461 -4.851) 13.512 3.482 ( -5.965 -6.133 -5.099) 9.960 3.681 ( -4.595 -0.479 -1.208) 4.775 3.883 ( 1.742 6.151 0.711) 6.433 4.062 ( -0.790 3.515 1.328) 3.840 4.122 ( -2.613 2.383 -2.286) 4.211 4.310 ( 0.942 -2.831 -0.068) 2.984 4.373 ( -1.332 -0.694 2.696) 3.086 4.477 ( 6.392 -3.994 -3.019) 8.119 5.066 ( 4.508 4.549 -2.813) 6.995 5.144 ( -1.785 -3.435 -2.084) 4.396 5.477 ( 4.742 2.871 -0.554) 5.571 5.579 ( -2.413 -6.861 5.977) 9.414 6.109 ( -0.651 -1.255 2.548) 2.914 6.155 ( 0.473 2.943 -1.594) 3.380 6.499 ( 2.091 5.381 1.143) 5.885 6.548 ( -1.341 2.146 1.678) 3.036 7.082 ( -2.203 -1.571 -0.309) 2.723 7.172 ( 1.578 -0.668 4.069) 4.416 7.573 ( -21.801 -10.119 1.011) 24.056 7.980 ( -19.186 14.336 -14.149) 27.818 8.485 ( -7.991 0.166 7.140) 10.717 9.127 ( 13.632 -0.248 -2.511) 13.864 9.411 ( 4.314 7.505 -7.675) 11.569 9.460 ( 6.592 -0.687 -1.760) 6.858 19.027 ( 0.552 -0.002 0.471) 0.726 19.123 ( -0.328 2.169 -1.051) 2.432 19.256 ( -1.297 0.107 1.652) 2.103 19.338 ( -0.248 -0.559 -0.716) 0.941 21.502 ( 1.926 -1.167 -0.588) 2.328 21.550 ( 1.124 -1.102 1.175) 1.964 21.788 ( 1.183 -2.821 1.854) 3.577 21.955 ( 1.379 -2.376 -1.879) 3.328 24.447 ( -0.060 0.051 -0.193) 0.208 24.473 ( -0.245 -1.043 0.244) 1.099 24.492 ( 0.371 0.406 -0.667) 0.865 24.578 ( -3.394 -0.921 -1.202) 3.716 32.316 ( -0.276 0.367 -0.023) 0.459 32.346 ( 1.130 -1.232 1.490) 2.240 32.389 ( 0.707 1.511 0.721) 1.817 32.484 ( 0.365 -0.661 -1.889) 2.035 41.011 ( 56.088 -15.854 27.888) 64.615 41.284 ( -0.490 -5.599 -1.206) 5.749 41.442 ( 2.649 3.013 -7.974) 8.926 42.046 ( -5.740 -4.737 10.223) 12.645 44.848 ( 1.766 1.034 -1.952) 2.828 45.246 ( -10.399 8.550 -2.087) 13.623 45.342 ( -1.357 -2.669 3.912) 4.926 46.078 ( -15.887 46.294 -23.616) 54.344 ======================= Grid point 141 (66/129) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 15.999 -0.000 7.691) 17.752 1.389 ( 15.262 -0.000 6.245) 16.490 1.662 ( 14.072 -0.000 1.221) 14.124 1.899 ( 1.562 -0.000 7.035) 7.207 1.986 ( 12.265 -0.000 -5.255) 13.344 2.196 ( 6.432 -0.000 -9.847) 11.761 2.339 ( 8.403 -0.000 -0.984) 8.461 2.447 ( -0.361 0.000 6.315) 6.325 2.540 ( 10.138 -0.000 9.033) 13.579 2.843 ( 5.330 -0.000 -0.556) 5.359 2.945 ( 5.181 -0.000 -1.603) 5.423 3.019 ( 12.967 -0.000 -0.102) 12.967 3.428 ( -2.977 0.000 -11.014) 11.409 3.486 ( 2.521 -0.000 2.428) 3.500 3.782 ( -6.511 0.000 2.240) 6.886 3.936 ( 7.525 -0.000 2.910) 8.068 4.117 ( 1.505 -0.000 2.062) 2.553 4.276 ( 0.859 -0.000 -2.299) 2.455 4.285 ( -2.597 0.000 0.276) 2.612 4.886 ( -9.093 0.000 1.261) 9.180 4.963 ( 7.754 -0.000 -8.599) 11.579 5.252 ( 3.671 -0.000 -1.167) 3.853 5.327 ( -2.297 0.000 -0.843) 2.447 5.869 ( 7.467 -0.000 4.737) 8.843 6.139 ( 3.095 -0.000 -1.318) 3.364 6.284 ( 5.597 -0.000 -1.412) 5.772 6.432 ( -3.134 0.000 0.149) 3.138 6.576 ( 3.632 -0.000 2.713) 4.534 6.881 ( -1.501 0.000 8.132) 8.269 7.216 ( 1.677 -0.000 4.275) 4.593 7.240 ( -3.638 0.000 8.891) 9.607 7.953 ( 10.573 -0.000 1.374) 10.662 8.291 ( -3.650 0.000 5.129) 6.295 9.236 ( -7.938 0.000 -7.137) 10.675 9.399 ( 0.249 -0.000 -0.292) 0.384 9.664 ( 12.910 -0.000 -17.384) 21.653 19.056 ( 0.980 -0.000 0.983) 1.388 19.084 ( 0.122 -0.000 -1.455) 1.460 19.241 ( -0.439 0.000 2.014) 2.061 19.357 ( 1.183 -0.000 -0.929) 1.504 21.477 ( -4.323 0.000 -0.790) 4.395 21.541 ( -1.598 0.000 1.163) 1.976 21.801 ( -4.079 0.000 2.131) 4.602 21.902 ( -2.930 0.000 -1.506) 3.295 24.439 ( -0.468 0.000 0.078) 0.474 24.446 ( 0.112 -0.000 0.232) 0.258 24.503 ( -0.445 0.000 -0.266) 0.518 24.525 ( 1.126 -0.000 1.459) 1.843 32.315 ( 0.511 -0.000 1.092) 1.206 32.372 ( -0.546 0.000 -0.511) 0.748 32.419 ( 0.708 -0.000 0.631) 0.948 32.467 ( 0.394 -0.000 -2.499) 2.530 41.009 ( -5.484 0.000 -1.913) 5.808 41.311 ( -7.974 0.000 -8.091) 11.360 41.581 ( -8.593 0.000 -4.576) 9.735 43.042 ( -10.567 0.000 -9.832) 14.433 44.805 ( -4.910 0.000 -3.753) 6.180 45.006 ( -0.688 0.000 2.106) 2.216 45.630 ( 13.030 -0.000 3.594) 13.517 45.975 ( 44.550 -0.000 -11.019) 45.893 ======================= Grid point 142 (67/129) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 3.941 -1.188 0.469) 4.143 1.564 ( 8.481 -1.470 4.029) 9.504 1.782 ( 7.210 6.511 -0.592) 9.733 1.906 ( 1.796 8.133 1.775) 8.516 2.117 ( 3.242 -7.579 4.167) 9.237 2.349 ( 10.961 3.994 -1.002) 11.709 2.413 ( 9.871 -3.275 -5.409) 11.723 2.619 ( 1.560 -3.579 4.383) 5.870 2.696 ( 12.443 4.878 5.227) 14.351 2.858 ( 4.898 0.951 2.371) 5.525 3.108 ( 7.975 -4.418 -8.419) 12.410 3.324 ( 6.561 -10.863 -3.253) 13.101 3.372 ( 10.782 -4.679 -3.746) 12.336 3.561 ( 1.238 -4.870 4.183) 6.538 3.782 ( 0.170 -5.349 3.528) 6.410 4.069 ( 1.108 3.677 2.618) 4.648 4.140 ( 6.386 -4.860 4.296) 9.103 4.265 ( -0.825 -0.109 0.315) 0.890 4.332 ( 3.897 -4.545 -1.040) 6.076 4.728 ( -7.559 2.587 -1.920) 8.217 4.998 ( 7.348 5.710 -4.755) 10.450 5.307 ( 1.617 1.657 -2.291) 3.257 5.340 ( 4.805 -4.295 -1.692) 6.663 5.916 ( 4.140 7.402 1.701) 8.649 6.182 ( 2.434 -1.091 -3.012) 4.023 6.342 ( 0.849 1.348 -0.569) 1.692 6.449 ( 3.592 -6.917 0.719) 7.827 6.671 ( 4.329 -2.275 0.681) 4.938 6.910 ( -0.270 1.238 7.722) 7.825 7.205 ( -2.795 0.337 1.389) 3.139 7.285 ( -3.690 -6.199 8.138) 10.875 8.158 ( 14.653 1.596 7.078) 16.350 8.303 ( -1.741 -3.399 4.718) 6.070 9.062 ( -9.494 2.423 -3.594) 10.437 9.375 ( -0.088 2.583 -1.246) 2.869 9.747 ( 11.053 0.696 -16.364) 19.759 19.066 ( 0.413 0.741 -0.847) 1.199 19.099 ( 1.180 -1.723 0.503) 2.149 19.246 ( -0.469 0.037 2.079) 2.132 19.360 ( 0.589 0.842 -0.744) 1.269 21.393 ( -3.947 2.270 -0.617) 4.594 21.519 ( -2.423 -0.084 0.629) 2.505 21.733 ( -4.697 1.332 1.594) 5.136 21.856 ( -3.113 -1.199 -0.986) 3.478 24.434 ( -0.636 -0.327 0.182) 0.738 24.453 ( 0.731 0.052 0.074) 0.737 24.494 ( -0.478 0.187 -0.262) 0.576 24.550 ( 0.992 -0.045 1.531) 1.825 32.332 ( 0.875 0.179 1.330) 1.602 32.362 ( -0.293 0.219 -0.180) 0.408 32.434 ( 0.365 -0.931 -0.746) 1.247 32.455 ( -0.258 -0.199 -2.228) 2.252 40.917 ( -5.950 1.890 -1.068) 6.334 41.099 ( -11.440 -1.594 -10.334) 15.499 41.503 ( 0.339 0.932 -4.715) 4.818 42.670 ( -11.046 18.303 -3.536) 21.669 44.786 ( -6.333 -9.580 -4.063) 12.182 45.050 ( -7.085 -10.678 2.812) 13.120 45.836 ( 18.621 5.929 5.011) 20.174 46.601 ( 39.483 -8.365 -14.564) 42.907 ======================= Grid point 143 (68/129) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -1.138 0.125 -4.206) 4.359 1.662 ( 1.379 1.085 -2.828) 3.328 1.815 ( 9.576 5.109 6.885) 12.853 1.832 ( 0.604 6.606 2.648) 7.142 2.284 ( 2.755 -3.582 9.233) 10.280 2.340 ( 5.722 12.471 -0.435) 13.728 2.558 ( 0.862 -4.508 -2.124) 5.057 2.612 ( 2.886 5.269 0.744) 6.054 2.765 ( 5.283 0.006 -5.058) 7.314 3.065 ( 11.196 -3.736 6.158) 13.313 3.173 ( 4.025 -1.372 -5.503) 6.954 3.347 ( -1.410 -4.623 -4.709) 6.748 3.581 ( -1.975 -4.489 1.923) 5.268 3.790 ( 11.504 -6.324 1.257) 13.187 3.909 ( 3.519 -5.034 0.918) 6.210 4.014 ( 0.172 3.718 0.974) 3.848 4.245 ( -0.850 1.279 2.452) 2.893 4.401 ( 5.315 -9.259 2.096) 10.880 4.470 ( 4.715 -7.849 0.909) 9.201 4.601 ( 2.732 7.895 -2.931) 8.854 5.018 ( 6.089 2.455 -1.379) 6.708 5.291 ( 2.289 3.133 -3.311) 5.101 5.449 ( 3.756 -3.363 -1.388) 5.229 5.852 ( 2.201 8.963 -1.301) 9.320 6.221 ( 2.240 -1.991 -1.201) 3.228 6.309 ( -2.431 1.033 1.910) 3.259 6.608 ( 2.634 -5.105 -0.125) 5.746 6.733 ( 3.022 0.762 -2.002) 3.704 6.919 ( -0.550 1.509 6.333) 6.534 7.162 ( -3.681 -1.444 -1.517) 4.235 7.395 ( -1.276 -10.708 6.917) 12.811 8.355 ( 5.506 0.532 0.181) 5.534 8.381 ( 7.566 -0.055 14.829) 16.648 8.878 ( -8.698 4.147 1.008) 9.689 9.324 ( -0.601 2.744 -2.729) 3.916 9.781 ( 9.929 3.858 -15.352) 18.686 19.054 ( 0.447 0.901 -1.470) 1.781 19.148 ( 1.459 -1.671 1.193) 2.519 19.248 ( -0.624 -0.084 1.781) 1.889 19.345 ( -0.312 1.350 -0.283) 1.414 21.325 ( -1.427 1.440 0.407) 2.068 21.480 ( -2.453 0.575 -0.478) 2.564 21.674 ( -3.801 -0.841 0.990) 4.017 21.833 ( -3.090 -2.515 -0.677) 4.042 24.431 ( -0.725 -0.554 0.310) 0.963 24.464 ( 0.769 0.108 -0.275) 0.824 24.484 ( -0.257 0.158 -0.084) 0.313 24.569 ( 0.494 0.065 1.313) 1.404 32.337 ( 0.240 0.869 -0.016) 0.902 32.367 ( 0.624 -0.123 1.615) 1.736 32.423 ( -0.918 0.170 -2.674) 2.833 32.460 ( 0.017 -1.579 -1.047) 1.895 40.753 ( -6.359 5.001 -5.060) 9.542 40.995 ( -4.839 -5.446 -5.418) 9.079 41.488 ( 1.329 0.433 -2.282) 2.676 42.311 ( -6.900 14.110 -2.122) 15.849 44.798 ( -6.330 -9.460 -4.436) 12.216 45.086 ( -10.361 -11.817 2.845) 15.971 46.028 ( 16.226 9.776 6.635) 20.072 47.120 ( 32.657 -3.524 -14.780) 36.019 ======================= Grid point 144 (69/129) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -1.704 4.019 -3.055) 5.328 1.658 ( 5.913 4.134 -1.663) 7.404 1.770 ( 0.669 7.375 7.993) 10.896 1.940 ( 6.727 1.086 4.376) 8.098 2.182 ( 1.494 15.192 -0.508) 15.273 2.404 ( -1.657 -3.327 9.464) 10.168 2.520 ( -3.831 3.800 -0.347) 5.407 2.602 ( 2.338 2.331 -2.274) 4.009 2.828 ( 5.188 -1.374 -7.195) 8.976 3.218 ( 1.581 -3.738 -4.873) 6.342 3.268 ( 7.152 -1.455 4.961) 8.825 3.356 ( 2.233 2.516 -2.446) 4.160 3.597 ( -3.749 -4.036 2.885) 6.218 3.891 ( 1.951 3.225 -0.738) 3.841 3.997 ( 0.466 -2.227 0.982) 2.478 4.023 ( 3.564 -1.228 -0.702) 3.834 4.218 ( -2.898 0.340 0.710) 3.003 4.444 ( -0.057 4.218 -0.508) 4.249 4.477 ( -2.182 2.441 -3.855) 5.058 4.734 ( 10.250 1.998 4.267) 11.281 5.078 ( 4.171 0.538 0.372) 4.222 5.257 ( 0.436 2.199 -2.113) 3.081 5.510 ( 2.209 -0.780 -1.342) 2.700 5.729 ( -0.509 10.265 -4.092) 11.062 6.232 ( -1.741 2.630 2.858) 4.257 6.317 ( 0.240 -3.219 1.728) 3.661 6.598 ( -3.131 3.205 -0.276) 4.489 6.739 ( 0.672 0.785 -1.433) 1.767 6.934 ( 0.541 0.054 2.771) 2.824 7.126 ( -4.421 -2.439 -0.058) 5.050 7.577 ( -0.059 -11.434 3.228) 11.881 8.385 ( -2.372 -2.150 -0.318) 3.217 8.580 ( 9.868 3.688 13.297) 16.964 8.746 ( -1.306 4.175 5.581) 7.091 9.268 ( -0.698 0.710 -4.549) 4.656 9.780 ( 10.531 6.156 -14.298) 18.795 19.043 ( 0.944 1.047 -1.330) 1.938 19.186 ( 0.754 -0.427 1.230) 1.505 19.258 ( 0.077 -1.082 1.255) 1.659 19.315 ( -1.205 1.411 0.209) 1.867 21.330 ( 1.653 -1.066 1.466) 2.454 21.441 ( -1.443 -0.195 -1.704) 2.241 21.653 ( -3.218 -2.705 0.610) 4.248 21.823 ( -3.106 -3.470 -0.922) 4.747 24.431 ( -0.729 -0.733 0.429) 1.120 24.463 ( -0.089 0.242 -0.513) 0.574 24.487 ( 0.675 0.018 -0.004) 0.675 24.576 ( -0.131 0.028 0.916) 0.926 32.325 ( -0.148 0.899 -0.167) 0.927 32.383 ( -0.078 0.615 -0.070) 0.624 32.397 ( -0.155 -0.095 0.377) 0.419 32.470 ( -0.181 -1.253 -1.747) 2.158 40.587 ( -3.263 6.725 -1.641) 7.653 41.006 ( -1.592 -6.822 -4.229) 8.183 41.506 ( 1.468 -0.878 -0.068) 1.712 42.075 ( -4.798 7.756 -3.085) 9.627 44.805 ( -5.257 -8.261 -4.231) 10.666 45.097 ( -10.575 -11.013 2.674) 15.501 46.086 ( 9.473 16.159 7.783) 20.284 47.456 ( 26.639 4.897 -17.166) 32.067 ======================= Grid point 145 (70/129) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -0.318 8.198 5.164) 9.694 1.670 ( 7.205 10.626 0.414) 12.845 1.761 ( 1.803 3.925 9.012) 9.993 1.959 ( 4.341 12.685 1.014) 13.445 2.077 ( 2.147 1.086 0.764) 2.524 2.364 ( -6.337 7.218 -1.826) 9.777 2.429 ( -4.699 -1.639 5.730) 7.590 2.608 ( 4.056 1.571 -1.562) 4.622 2.811 ( 0.611 8.717 -2.133) 8.995 3.241 ( 1.398 2.096 -7.576) 7.984 3.279 ( -3.095 2.417 -0.654) 3.981 3.378 ( 3.831 2.520 1.729) 4.901 3.606 ( -1.668 0.552 1.926) 2.607 3.813 ( -2.836 6.397 -0.056) 6.998 4.037 ( -1.696 -0.318 -4.204) 4.544 4.068 ( 1.941 -4.060 2.759) 5.279 4.162 ( -4.368 -1.248 -1.978) 4.955 4.338 ( -4.063 7.366 0.017) 8.412 4.391 ( 1.921 6.124 -0.322) 6.426 4.721 ( 0.169 12.047 1.782) 12.179 5.105 ( 2.921 2.602 -3.556) 5.287 5.257 ( -1.950 -3.399 5.592) 6.828 5.517 ( -0.529 9.484 -3.681) 10.188 5.543 ( 0.603 3.289 -4.083) 5.278 6.170 ( -3.419 2.880 3.324) 5.571 6.353 ( 0.929 1.782 0.739) 2.141 6.511 ( -3.174 1.431 0.420) 3.507 6.724 ( 0.045 1.549 0.068) 1.551 6.973 ( 2.190 -1.931 0.860) 3.044 7.093 ( -5.933 -2.937 2.402) 7.042 7.654 ( -4.758 -2.738 2.297) 5.951 8.334 ( -4.907 -0.155 -4.520) 6.674 8.577 ( -5.897 2.698 8.618) 10.785 8.922 ( 16.065 0.459 8.562) 18.210 9.252 ( 0.449 -2.948 -5.151) 5.952 9.769 ( 11.104 8.314 -13.359) 19.258 19.040 ( 1.404 1.159 -0.811) 1.993 19.195 ( 0.133 0.711 0.945) 1.190 19.280 ( -1.791 0.877 0.838) 2.163 19.289 ( 0.634 -1.673 0.431) 1.840 21.403 ( 3.176 -2.644 1.467) 4.385 21.431 ( 0.117 -1.730 -1.757) 2.468 21.654 ( -2.805 -3.826 0.184) 4.747 21.824 ( -2.849 -4.414 -1.544) 5.475 24.434 ( -0.652 -0.906 0.482) 1.216 24.456 ( -0.217 0.160 -0.377) 0.463 24.496 ( 0.755 0.137 -0.249) 0.807 24.574 ( -0.847 -0.195 0.421) 0.966 32.313 ( 0.132 0.709 0.582) 0.927 32.360 ( -0.701 0.721 -0.790) 1.279 32.413 ( 0.440 0.208 2.176) 2.230 32.469 ( -0.125 -0.657 -2.235) 2.333 40.499 ( 3.443 6.782 7.359) 10.583 41.071 ( 0.336 -7.304 -3.730) 8.208 41.538 ( 0.954 -0.802 -1.151) 1.696 41.930 ( -4.729 1.639 -2.529) 5.608 44.822 ( -2.664 -6.472 -3.420) 7.790 45.102 ( -9.940 -10.414 2.236) 14.569 45.967 ( 3.336 22.215 8.607) 24.056 47.543 ( 19.443 16.779 -24.635) 35.587 ======================= Grid point 146 (71/129) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 1.696 12.328 10.991) 16.602 1.562 ( 1.129 19.098 10.041) 21.607 1.773 ( 3.139 5.092 -1.968) 6.297 1.888 ( 1.980 5.849 1.849) 6.446 2.064 ( -1.767 7.613 -0.792) 7.855 2.204 ( 1.085 8.270 5.763) 10.138 2.390 ( -5.742 -1.108 3.213) 6.672 2.599 ( 1.353 21.363 0.727) 21.418 2.668 ( 6.016 0.148 -1.071) 6.112 3.008 ( -9.069 13.249 -5.138) 16.858 3.256 ( -6.574 15.850 3.029) 17.425 3.293 ( -0.318 -5.557 -10.375) 11.774 3.469 ( -5.877 11.513 -2.240) 13.119 3.718 ( -2.123 3.318 4.139) 5.714 3.971 ( -3.030 -2.958 -4.663) 6.299 4.103 ( -3.923 -1.568 -4.473) 6.153 4.191 ( 0.493 -5.685 3.754) 6.831 4.221 ( -0.821 4.116 1.389) 4.421 4.359 ( 4.058 6.202 1.211) 7.510 4.559 ( 0.742 10.202 -0.733) 10.255 5.071 ( -0.675 1.059 -2.904) 3.163 5.292 ( 0.554 6.869 -2.182) 7.228 5.353 ( -4.225 -3.031 5.140) 7.312 5.565 ( 4.789 0.905 -3.019) 5.733 6.115 ( -2.273 1.511 2.870) 3.960 6.290 ( 0.646 6.730 -2.656) 7.264 6.495 ( -2.427 -2.195 3.087) 4.499 6.694 ( 0.947 4.152 0.022) 4.259 7.026 ( -2.018 -2.256 -0.185) 3.032 7.080 ( -3.735 -5.270 4.603) 7.931 7.554 ( -7.813 5.611 4.075) 10.446 8.202 ( -5.407 3.863 -8.428) 10.733 8.509 ( -5.766 2.148 8.651) 10.616 9.127 ( 8.790 0.642 0.340) 8.820 9.318 ( 2.692 -6.719 -3.346) 7.974 9.727 ( 10.140 11.105 -12.755) 19.719 19.043 ( 1.467 1.231 -0.109) 1.918 19.181 ( -0.366 1.718 -0.221) 1.771 19.257 ( -1.306 -0.041 1.423) 1.932 19.313 ( -0.324 -1.317 -0.370) 1.405 21.454 ( 1.972 -2.184 -1.268) 3.204 21.498 ( 1.602 -2.689 1.806) 3.614 21.679 ( -1.567 -4.987 0.563) 5.257 21.845 ( -1.644 -5.582 -2.254) 6.240 24.441 ( -0.499 -1.048 0.406) 1.230 24.450 ( -0.201 0.046 -0.220) 0.301 24.502 ( 0.614 0.315 -0.309) 0.756 24.560 ( -1.710 -0.229 -0.114) 1.729 32.326 ( 1.601 0.080 1.587) 2.256 32.338 ( -0.700 0.711 -0.150) 1.009 32.418 ( -0.487 0.679 1.454) 1.677 32.467 ( 0.514 -0.557 -2.061) 2.196 40.700 ( 20.878 -4.578 20.852) 29.860 41.147 ( 0.109 -5.871 -2.969) 6.580 41.513 ( -0.338 2.087 -6.783) 7.105 41.879 ( -5.913 -5.562 1.651) 8.284 44.865 ( 1.884 -3.622 -2.217) 4.646 45.103 ( -9.090 -9.126 0.933) 12.915 45.731 ( 0.653 24.110 8.994) 25.741 47.267 ( 9.016 34.262 -34.894) 49.726 ======================= Grid point 147 (72/129) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 7.209 16.158 11.906) 21.326 1.286 ( -9.902 24.653 13.575) 29.835 1.630 ( -1.348 14.953 -2.049) 15.153 1.866 ( 3.220 6.108 3.689) 7.829 1.903 ( 3.339 11.618 -0.094) 12.088 2.193 ( 2.661 5.569 10.422) 12.113 2.332 ( -2.149 4.243 2.584) 5.413 2.482 ( 11.456 8.263 -4.152) 14.723 2.648 ( -5.382 17.659 -4.907) 19.102 2.743 ( 1.149 -0.899 0.642) 1.594 2.935 ( -10.792 8.404 2.322) 13.874 3.184 ( -0.050 10.942 -11.231) 15.681 3.354 ( 0.024 -1.891 -0.723) 2.025 3.641 ( -3.092 4.139 0.740) 5.219 3.955 ( -0.497 2.811 -0.534) 2.904 4.068 ( -0.431 -0.834 -1.412) 1.695 4.092 ( -6.480 5.056 -1.493) 8.354 4.315 ( 1.643 -2.418 1.630) 3.347 4.338 ( 0.228 1.589 -1.338) 2.090 4.548 ( 8.310 -2.056 -2.662) 8.965 5.049 ( -3.500 -2.781 0.576) 4.507 5.207 ( 4.797 6.072 -2.646) 8.178 5.401 ( -6.194 -6.870 5.757) 10.895 5.619 ( 5.619 0.545 -1.242) 5.780 6.098 ( -0.572 0.052 2.178) 2.253 6.221 ( 2.960 4.846 -2.396) 6.164 6.495 ( -3.249 -1.237 2.200) 4.114 6.647 ( 2.074 6.270 -0.821) 6.655 6.984 ( -10.145 -3.995 3.919) 11.587 7.123 ( -0.683 -1.635 1.834) 2.550 7.373 ( -5.355 10.076 8.051) 13.965 8.002 ( -2.376 9.707 -7.348) 12.405 8.437 ( -6.210 2.928 7.926) 10.486 9.221 ( 6.435 -2.388 -4.236) 8.066 9.395 ( -0.835 -4.896 -5.203) 7.193 9.651 ( 8.891 10.197 -12.039) 18.110 19.047 ( 1.029 1.167 0.519) 1.640 19.139 ( -0.960 2.151 -1.493) 2.789 19.250 ( -1.003 0.213 1.428) 1.758 19.319 ( -0.167 -1.229 -0.441) 1.316 21.510 ( 1.334 -1.771 0.544) 2.283 21.536 ( -0.748 -1.969 0.577) 2.184 21.745 ( -0.259 -5.618 1.996) 5.968 21.896 ( -0.131 -5.443 -2.350) 5.930 24.446 ( -0.301 -0.125 -0.022) 0.327 24.450 ( -0.346 -0.875 0.101) 0.947 24.503 ( 0.406 0.519 0.091) 0.665 24.532 ( -1.817 0.169 -0.158) 1.832 32.319 ( -0.513 0.731 0.199) 0.915 32.368 ( 2.209 -0.397 1.283) 2.585 32.402 ( -0.862 0.643 0.463) 1.171 32.472 ( 0.570 -0.416 -1.813) 1.946 41.170 ( -2.468 -2.472 -3.255) 4.775 41.434 ( 0.310 1.051 -9.773) 9.835 41.515 ( 34.385 -33.061 22.348) 52.676 41.899 ( -4.500 -10.276 3.320) 11.699 44.946 ( 7.507 1.541 -0.750) 7.700 45.081 ( -4.698 -4.481 -1.905) 6.766 45.512 ( 0.461 16.603 8.468) 18.644 46.539 ( -0.409 54.482 -34.703) 64.598 ======================= Grid point 150 (73/129) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -0.579 0.000 -3.406) 3.455 1.601 ( 2.068 -0.000 -3.167) 3.783 1.961 ( 8.038 -0.000 3.434) 8.741 1.991 ( 0.588 -0.000 -3.462) 3.512 2.177 ( 6.503 -0.000 12.820) 14.375 2.424 ( 5.625 -0.000 -4.714) 7.339 2.565 ( 0.878 -0.000 6.094) 6.156 2.637 ( 3.411 -0.000 -0.137) 3.413 2.911 ( 0.425 -0.000 -0.069) 0.430 3.003 ( 17.200 -0.000 -0.086) 17.200 3.157 ( -4.774 0.000 -9.703) 10.813 3.294 ( 18.822 -0.000 1.584) 18.889 3.549 ( 0.214 -0.000 5.525) 5.529 3.594 ( 18.754 -0.000 -1.219) 18.794 3.826 ( 9.273 -0.000 1.963) 9.478 4.122 ( -1.675 0.000 3.449) 3.834 4.178 ( 3.248 -0.000 0.412) 3.274 4.281 ( 0.585 -0.000 3.527) 3.575 4.340 ( 4.451 -0.000 -0.081) 4.452 4.699 ( 3.473 -0.000 -2.328) 4.181 5.095 ( 4.076 -0.000 -3.193) 5.178 5.346 ( 3.901 -0.000 -5.333) 6.607 5.376 ( 5.440 -0.000 0.095) 5.441 6.011 ( 0.415 -0.000 -0.798) 0.900 6.177 ( 1.036 -0.000 -3.765) 3.905 6.378 ( -0.611 0.000 0.315) 0.687 6.444 ( 7.036 -0.000 -0.907) 7.094 6.737 ( 5.567 -0.000 -0.475) 5.587 6.944 ( -3.037 0.000 9.061) 9.556 7.141 ( -5.993 0.000 -1.207) 6.113 7.274 ( 2.726 -0.000 5.977) 6.569 8.269 ( -2.417 0.000 8.625) 8.958 8.465 ( 15.969 -0.000 8.709) 18.190 8.932 ( -8.969 0.000 -0.725) 8.998 9.374 ( -0.518 0.000 -2.488) 2.541 9.840 ( 11.935 -0.000 -15.101) 19.248 19.074 ( 0.441 -0.000 -1.391) 1.459 19.115 ( 2.191 -0.000 1.214) 2.505 19.249 ( -0.850 0.000 2.006) 2.178 19.364 ( -0.241 0.000 -1.030) 1.058 21.358 ( -2.672 0.000 -0.111) 2.675 21.481 ( -2.875 0.000 0.144) 2.879 21.670 ( -6.171 0.000 2.158) 6.537 21.781 ( -4.307 0.000 -1.613) 4.599 24.424 ( -0.697 0.000 0.332) 0.772 24.465 ( 0.829 -0.000 -0.184) 0.849 24.487 ( -0.458 0.000 -0.133) 0.477 24.570 ( 0.576 -0.000 1.476) 1.584 32.359 ( -0.070 0.000 -0.638) 0.642 32.359 ( 1.282 -0.000 1.900) 2.292 32.425 ( 0.002 -0.000 -1.215) 1.215 32.433 ( -0.818 0.000 -2.196) 2.344 40.870 ( -7.179 0.000 -13.474) 15.268 40.874 ( -4.095 0.000 3.195) 5.194 41.494 ( 0.366 -0.000 -3.033) 3.055 42.548 ( -15.127 0.000 -5.628) 16.140 44.600 ( -6.689 0.000 -1.586) 6.875 44.929 ( -5.263 0.000 2.043) 5.646 46.188 ( 19.553 -0.000 7.467) 20.930 47.057 ( 39.258 -0.000 -15.609) 42.248 ======================= Grid point 151 (74/129) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.626 0.656 -3.385) 3.504 1.634 ( 2.656 -3.752 -6.490) 7.954 1.962 ( 2.153 6.540 4.389) 8.165 2.064 ( 9.952 5.976 3.433) 12.106 2.313 ( -0.286 -2.020 11.264) 11.448 2.476 ( -0.889 -3.628 -3.201) 4.919 2.549 ( 1.236 6.154 -0.870) 6.337 2.645 ( -1.057 0.142 2.795) 2.991 2.851 ( -3.695 1.329 0.393) 3.946 3.107 ( 2.256 -1.294 -6.176) 6.701 3.200 ( 5.784 -2.454 1.949) 6.578 3.484 ( 9.656 1.423 0.253) 9.763 3.600 ( 10.096 7.940 3.097) 13.212 3.865 ( 9.340 -5.745 0.419) 10.973 3.962 ( 6.660 1.169 -2.505) 7.210 4.080 ( 1.193 4.335 -0.125) 4.498 4.212 ( -2.929 -2.799 -0.070) 4.052 4.383 ( 4.998 -4.694 4.425) 8.160 4.446 ( 6.028 -2.462 -0.074) 6.512 4.805 ( 12.970 1.269 0.483) 13.041 5.118 ( 4.087 2.325 -0.810) 4.771 5.341 ( 2.115 2.808 -5.362) 6.412 5.468 ( 4.142 -1.924 -0.010) 4.567 5.945 ( -1.292 5.495 -4.487) 7.211 6.201 ( 1.507 -3.289 -0.229) 3.625 6.326 ( -1.302 4.132 -0.231) 4.338 6.586 ( 4.384 -4.685 -0.394) 6.428 6.778 ( 1.622 2.366 -2.303) 3.679 6.934 ( -3.370 -0.458 7.047) 7.825 7.060 ( -5.451 -1.762 -1.212) 5.856 7.398 ( 8.027 -2.345 4.053) 9.293 8.292 ( -3.092 -2.845 6.430) 7.681 8.699 ( 10.330 2.881 11.556) 15.765 8.809 ( -6.565 0.869 2.946) 7.248 9.338 ( 0.595 3.033 -3.898) 4.975 9.912 ( 11.643 3.078 -13.445) 18.050 19.071 ( 1.043 0.851 -1.174) 1.786 19.162 ( 2.236 -0.954 1.023) 2.638 19.244 ( -1.093 -0.123 1.630) 1.967 19.343 ( -1.265 0.599 -0.929) 1.680 21.329 ( -0.409 0.645 0.967) 1.232 21.440 ( -2.758 -0.184 -0.688) 2.849 21.598 ( -5.500 -0.836 1.617) 5.794 21.727 ( -4.811 -3.003 -1.662) 5.910 24.418 ( -0.670 -0.276 0.436) 0.845 24.468 ( -0.138 0.095 -0.654) 0.675 24.487 ( 0.562 -0.008 0.276) 0.627 24.580 ( -0.050 0.133 1.031) 1.040 32.348 ( -0.207 0.703 -0.587) 0.939 32.390 ( 1.152 -0.137 2.067) 2.370 32.403 ( -0.616 0.675 -1.810) 2.028 32.431 ( -0.074 -1.497 -1.558) 2.162 40.725 ( -0.970 3.362 -7.426) 8.209 40.870 ( -2.562 -3.244 1.494) 4.395 41.485 ( -0.146 -0.485 -1.031) 1.148 42.273 ( -11.736 5.471 -6.111) 14.318 44.556 ( -6.224 -7.393 -1.143) 9.732 44.886 ( -6.337 -4.360 1.396) 7.817 46.444 ( 16.963 8.724 8.729) 20.977 47.499 ( 32.681 -0.313 -16.089) 36.428 ======================= Grid point 152 (75/129) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 1.773 1.521 0.164) 2.342 1.703 ( 4.827 -3.993 -7.436) 9.723 1.939 ( 2.395 8.584 11.282) 14.377 2.133 ( 8.769 6.453 1.710) 11.020 2.327 ( -5.792 2.863 5.644) 8.579 2.393 ( -1.986 4.596 0.527) 5.034 2.494 ( -1.959 2.671 0.302) 3.326 2.653 ( 0.221 0.060 -0.054) 0.235 2.839 ( -1.907 -4.772 0.628) 5.177 3.137 ( 2.258 -1.753 -5.497) 6.195 3.302 ( -0.111 -6.794 4.760) 8.296 3.585 ( 5.536 0.380 -1.066) 5.650 3.625 ( 12.793 14.763 -1.148) 19.569 3.969 ( 1.692 4.181 -1.229) 4.675 3.988 ( 2.893 -1.333 1.089) 3.366 4.059 ( 0.975 1.851 -3.307) 3.913 4.189 ( -1.427 1.554 0.994) 2.332 4.476 ( 3.041 2.024 2.616) 4.493 4.504 ( 1.575 3.228 -0.722) 3.663 4.961 ( 8.150 4.042 0.588) 9.116 5.166 ( 5.861 2.413 3.145) 7.075 5.281 ( -0.135 3.858 -4.688) 6.073 5.529 ( 2.132 -0.873 -0.500) 2.357 5.797 ( -2.734 8.010 -7.338) 11.202 6.244 ( -3.431 2.284 1.723) 4.467 6.293 ( 2.499 -3.486 1.908) 4.694 6.621 ( -0.751 4.666 0.355) 4.739 6.728 ( -1.037 -0.344 -2.697) 2.910 6.948 ( 0.060 -0.968 1.959) 2.186 7.012 ( -5.620 -2.432 1.609) 6.331 7.579 ( 9.255 -2.133 2.137) 9.735 8.300 ( -4.964 -2.304 3.688) 6.599 8.673 ( -6.696 3.261 7.232) 10.381 8.917 ( 8.126 -1.681 9.414) 12.549 9.278 ( 2.338 5.134 -5.013) 7.547 9.954 ( 11.551 5.409 -12.234) 17.673 19.072 ( 1.723 1.133 -0.875) 2.240 19.201 ( 0.953 -0.107 0.888) 1.307 19.248 ( -0.106 -1.228 1.020) 1.600 19.305 ( -2.145 0.797 -0.572) 2.358 21.351 ( 2.005 -1.113 1.828) 2.933 21.405 ( -1.532 -0.436 -1.311) 2.063 21.558 ( -4.542 -2.954 0.678) 5.461 21.699 ( -4.911 -4.714 -1.770) 7.034 24.416 ( -0.571 -0.474 0.512) 0.901 24.459 ( -0.317 0.099 -0.565) 0.655 24.499 ( 0.776 0.043 0.148) 0.791 24.577 ( -0.613 0.230 0.465) 0.803 32.333 ( -0.196 0.668 -0.053) 0.698 32.379 ( -0.270 0.770 -1.192) 1.445 32.416 ( 0.799 0.065 2.049) 2.201 32.442 ( 0.025 -1.378 -1.724) 2.207 40.665 ( 2.780 5.106 0.767) 5.864 40.906 ( 0.112 -4.683 -0.277) 4.693 41.497 ( 0.039 -1.651 0.246) 1.670 42.027 ( -8.570 4.470 -7.042) 11.959 44.585 ( -4.392 -9.525 -0.902) 10.527 44.870 ( -6.719 -6.667 0.723) 9.493 46.522 ( 10.790 17.860 9.752) 23.033 47.796 ( 24.080 4.168 -18.463) 30.628 ======================= Grid point 153 (76/129) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 3.219 4.268 5.407) 7.604 1.770 ( 3.835 -1.109 -6.551) 7.671 1.917 ( -0.464 8.004 12.937) 15.220 2.160 ( 2.664 3.391 0.715) 4.372 2.173 ( -1.147 11.130 0.669) 11.209 2.360 ( -3.618 0.493 4.958) 6.158 2.423 ( 2.102 5.809 -0.790) 6.228 2.666 ( 1.820 -0.007 1.615) 2.433 2.862 ( -4.103 -2.313 2.482) 5.324 3.157 ( 1.567 -3.022 -8.811) 9.446 3.449 ( 3.044 -8.043 3.842) 9.418 3.518 ( 7.601 20.602 -0.734) 21.972 3.649 ( 4.957 2.890 -3.672) 6.812 3.848 ( -7.141 8.833 -1.822) 11.504 3.973 ( -2.548 5.274 -1.254) 5.991 4.057 ( 2.858 0.256 -0.607) 2.933 4.152 ( -0.244 2.285 1.079) 2.539 4.393 ( -3.016 8.555 1.358) 9.173 4.505 ( 4.000 3.738 1.876) 5.787 4.896 ( -0.969 11.977 -0.916) 12.051 5.174 ( 0.531 5.976 -3.918) 7.166 5.246 ( 0.501 0.379 6.635) 6.664 5.559 ( 2.015 -0.807 -2.777) 3.525 5.590 ( -2.877 9.766 -8.154) 13.044 6.175 ( -2.803 2.767 2.493) 4.661 6.381 ( 1.789 -2.721 3.112) 4.504 6.506 ( -2.775 6.253 -1.779) 7.069 6.732 ( 0.937 -0.980 -2.245) 2.623 6.960 ( -8.284 -2.970 6.608) 11.005 6.994 ( 3.469 -0.715 -1.184) 3.735 7.697 ( 6.039 3.966 2.775) 7.739 8.242 ( -6.213 -0.094 -0.813) 6.267 8.586 ( -5.709 2.802 8.888) 10.929 9.099 ( 3.515 -6.214 5.439) 8.975 9.235 ( 4.515 4.854 -4.382) 7.946 9.964 ( 9.852 7.171 -12.292) 17.309 19.080 ( 2.104 1.405 -0.425) 2.566 19.207 ( -0.156 0.414 0.626) 0.767 19.260 ( -2.281 0.211 -0.090) 2.292 19.275 ( 0.103 -1.349 0.359) 1.400 21.404 ( 0.981 -1.454 -1.157) 2.101 21.425 ( 2.245 -2.626 2.220) 4.107 21.549 ( -3.281 -4.532 -0.056) 5.595 21.691 ( -4.033 -5.828 -2.268) 7.442 24.419 ( -0.409 -0.620 0.553) 0.926 24.452 ( -0.141 0.069 -0.477) 0.502 24.508 ( 0.675 0.180 0.078) 0.702 24.562 ( -1.066 0.290 -0.006) 1.105 32.330 ( 0.461 0.240 0.843) 0.990 32.362 ( 0.160 0.950 -0.457) 1.066 32.429 ( -0.233 0.277 1.639) 1.678 32.449 ( 0.494 -0.868 -1.784) 2.045 40.706 ( 8.216 3.109 9.728) 13.107 40.988 ( 1.894 -5.711 -1.083) 6.113 41.520 ( 0.281 -1.320 -1.465) 1.993 41.834 ( -7.449 1.661 -6.871) 10.269 44.670 ( -0.487 -9.753 -0.386) 9.773 44.875 ( -5.862 -7.715 -0.098) 9.690 46.404 ( 4.260 24.789 11.210) 27.538 47.848 ( 13.493 12.882 -24.471) 30.771 ======================= Grid point 154 (77/129) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 2.362 7.081 8.905) 11.619 1.738 ( -1.753 5.764 -1.252) 6.153 1.839 ( -4.637 5.781 5.690) 9.343 2.030 ( -0.277 11.774 2.927) 12.136 2.131 ( 0.718 4.143 -0.479) 4.232 2.304 ( -5.024 1.178 4.023) 6.543 2.444 ( 10.068 6.832 2.909) 12.510 2.723 ( 2.464 -0.731 4.567) 5.240 2.812 ( -3.614 2.043 0.940) 4.257 3.100 ( -1.464 8.819 -11.612) 14.654 3.313 ( 3.599 17.451 -2.671) 18.017 3.426 ( -4.119 21.103 -0.845) 21.518 3.601 ( 4.559 8.346 -1.991) 9.716 3.741 ( 0.328 -4.681 4.195) 6.294 3.843 ( -3.584 1.467 -1.642) 4.207 4.036 ( -0.459 2.344 -3.405) 4.159 4.158 ( -1.053 -0.915 2.390) 2.768 4.273 ( -0.994 5.279 1.869) 5.688 4.518 ( 3.700 5.385 1.017) 6.612 4.698 ( -0.594 11.871 -2.228) 12.093 5.069 ( -2.639 4.357 -1.434) 5.292 5.278 ( -2.705 -1.556 5.360) 6.202 5.408 ( 1.720 8.502 -6.615) 10.908 5.595 ( 2.143 -1.974 -2.837) 4.067 6.129 ( -0.752 2.108 2.563) 3.403 6.380 ( -0.016 6.551 -3.108) 7.251 6.447 ( -0.218 -2.082 3.489) 4.069 6.736 ( 0.937 0.653 -2.947) 3.161 6.904 ( -8.044 -1.905 6.599) 10.577 7.075 ( 4.536 -1.726 1.302) 5.025 7.672 ( 1.414 11.386 6.252) 13.067 8.132 ( -5.043 1.490 -5.234) 7.419 8.531 ( -3.672 3.044 8.886) 10.085 9.209 ( -0.724 -6.687 -4.932) 8.341 9.236 ( 2.508 1.884 2.248) 3.859 9.903 ( 5.721 8.672 -13.577) 17.095 19.089 ( 1.863 1.748 0.182) 2.561 19.181 ( -1.780 1.079 -0.960) 2.292 19.247 ( -0.406 -0.483 1.288) 1.434 19.286 ( -0.817 -1.126 -0.136) 1.397 21.453 ( 0.771 -2.405 0.126) 2.529 21.472 ( -0.191 -2.611 0.708) 2.712 21.596 ( -0.448 -5.516 1.097) 5.642 21.725 ( -0.351 -6.964 -2.720) 7.485 24.426 ( -0.231 -0.684 0.535) 0.899 24.449 ( 0.149 0.049 -0.394) 0.424 24.514 ( 0.533 0.351 0.204) 0.670 24.540 ( -1.289 0.402 -0.262) 1.375 32.333 ( -0.648 0.186 0.281) 0.730 32.369 ( 2.298 0.506 1.025) 2.567 32.419 ( -1.062 0.602 0.825) 1.473 32.461 ( 0.904 -0.534 -1.561) 1.881 40.976 ( 14.627 -9.091 16.132) 23.597 41.076 ( 1.502 -4.496 -1.607) 5.005 41.504 ( 1.385 2.044 -6.046) 6.531 41.710 ( -7.391 -3.739 -3.599) 9.031 44.822 ( 4.219 -9.050 0.226) 9.988 44.907 ( -2.235 -7.573 -1.282) 8.000 46.147 ( -0.381 27.645 12.436) 30.316 47.561 ( 2.363 25.725 -31.409) 40.668 ======================= Grid point 155 (78/129) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.366 7.655 10.774) 13.221 1.555 ( -2.741 18.450 8.374) 20.446 1.720 ( -2.168 4.319 -4.152) 6.371 1.888 ( -5.284 4.553 4.078) 8.079 2.092 ( 2.831 5.685 0.869) 6.411 2.243 ( -2.849 1.380 3.222) 4.517 2.492 ( 4.712 8.767 3.690) 10.615 2.697 ( -3.996 8.150 -4.540) 10.149 2.754 ( 3.269 4.215 -1.472) 5.534 2.865 ( -0.239 12.531 2.931) 12.871 3.080 ( 3.714 13.606 -3.089) 14.438 3.250 ( 9.084 11.832 -7.501) 16.697 3.535 ( 8.137 13.549 2.751) 16.042 3.694 ( -1.393 6.998 1.311) 7.255 3.917 ( -1.220 -5.429 1.137) 5.679 4.019 ( -0.056 -3.815 -2.172) 4.390 4.090 ( -2.731 6.468 -1.174) 7.118 4.281 ( 0.529 -3.553 2.890) 4.610 4.453 ( 1.850 10.054 -2.393) 10.499 4.610 ( 4.545 1.344 -3.718) 6.024 4.982 ( -4.933 1.776 2.152) 5.668 5.264 ( -1.906 -2.177 -2.088) 3.568 5.362 ( 3.517 4.534 1.240) 5.871 5.649 ( 2.251 -3.628 -1.406) 4.495 6.129 ( 1.909 1.089 1.644) 2.744 6.310 ( 1.662 3.563 -1.804) 4.326 6.475 ( 0.954 1.080 2.363) 2.768 6.712 ( 0.789 2.281 -2.904) 3.776 6.864 ( -5.651 -1.595 7.339) 9.399 7.165 ( 4.492 -0.300 2.177) 5.001 7.539 ( -1.889 13.839 9.972) 17.162 8.011 ( -2.345 3.022 -7.099) 8.064 8.477 ( -2.976 5.829 8.294) 10.565 9.234 ( -5.557 -6.640 -4.755) 9.878 9.249 ( 1.907 -0.979 -1.025) 2.376 9.785 ( 4.168 7.236 -14.291) 16.552 19.086 ( 0.609 1.860 0.624) 2.054 19.135 ( -1.053 1.289 -1.637) 2.335 19.248 ( -0.742 0.324 1.182) 1.433 19.300 ( 0.333 -1.831 0.384) 1.901 21.447 ( -4.336 -3.064 -0.242) 5.315 21.528 ( 0.839 -1.551 0.937) 1.997 21.674 ( 0.154 -5.975 1.044) 6.068 21.820 ( 2.224 -5.747 -1.605) 6.368 24.435 ( -0.020 -0.491 0.394) 0.630 24.450 ( 0.266 0.063 -0.267) 0.382 24.511 ( -0.912 0.358 0.171) 0.994 24.523 ( 0.389 0.431 0.210) 0.617 32.321 ( -0.502 0.383 0.451) 0.776 32.387 ( -0.950 0.267 0.212) 1.009 32.417 ( 2.119 0.571 0.881) 2.365 32.469 ( 0.784 -0.215 -1.812) 1.986 41.088 ( -3.932 -1.648 -2.157) 4.778 41.337 ( 0.130 -7.749 -4.093) 8.764 41.558 ( -0.727 -5.865 1.140) 6.019 41.767 ( 11.441 -18.471 6.066) 22.558 44.930 ( -0.780 -5.259 -2.239) 5.769 45.091 ( 12.825 -8.282 0.181) 15.268 45.836 ( -3.349 25.675 11.407) 28.293 46.959 ( -0.587 38.043 -31.382) 49.320 ======================= Grid point 159 (79/129) ======================= q-point: ( 0.38 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 2.372 -0.000 -0.021) 2.372 1.617 ( 4.741 -0.000 -7.791) 9.120 2.087 ( 3.289 -0.000 9.182) 9.753 2.266 ( 8.153 -0.000 5.873) 10.048 2.355 ( -1.368 0.000 6.860) 6.995 2.383 ( -3.098 0.000 -3.973) 5.039 2.585 ( 0.423 -0.000 -1.769) 1.819 2.634 ( -2.143 0.000 0.081) 2.145 2.715 ( -10.650 0.000 2.361) 10.909 3.157 ( 5.059 -0.000 -1.046) 5.166 3.172 ( -6.261 0.000 2.493) 6.739 3.592 ( 7.564 -0.000 -4.230) 8.666 3.893 ( 10.158 -0.000 4.256) 11.013 3.945 ( 7.267 -0.000 -1.629) 7.447 4.010 ( 0.988 -0.000 -0.566) 1.138 4.107 ( 0.232 -0.000 -7.331) 7.335 4.193 ( 3.953 -0.000 4.644) 6.099 4.512 ( 5.240 -0.000 -1.751) 5.524 4.540 ( 11.480 -0.000 7.069) 13.482 4.974 ( 8.852 -0.000 -1.225) 8.937 5.213 ( 8.181 -0.000 1.652) 8.346 5.350 ( 0.662 -0.000 -5.731) 5.770 5.509 ( 2.167 -0.000 1.120) 2.440 5.909 ( -3.421 0.000 -7.997) 8.698 6.211 ( 2.066 -0.000 2.328) 3.113 6.321 ( -2.541 0.000 -1.389) 2.896 6.627 ( 5.195 -0.000 -1.030) 5.296 6.790 ( -1.899 0.000 -3.721) 4.178 6.892 ( -5.906 0.000 8.599) 10.432 6.995 ( -0.263 0.000 -2.954) 2.966 7.555 ( 12.005 -0.000 3.835) 12.603 8.261 ( -3.817 0.000 5.656) 6.823 8.719 ( -7.971 0.000 4.886) 9.350 8.879 ( 3.901 -0.000 8.855) 9.676 9.377 ( 3.388 -0.000 -1.746) 3.811 10.028 ( 10.825 -0.000 -11.853) 16.052 19.089 ( 1.441 -0.000 -0.703) 1.603 19.196 ( 2.539 -0.000 0.466) 2.581 19.233 ( -1.341 0.000 1.369) 1.917 19.315 ( -2.234 0.000 -1.190) 2.531 21.342 ( 0.789 -0.000 1.588) 1.773 21.397 ( -2.216 0.000 -0.724) 2.331 21.525 ( -5.057 0.000 1.827) 5.377 21.622 ( -4.890 0.000 -2.708) 5.590 24.410 ( -0.511 0.000 0.521) 0.730 24.460 ( -0.364 0.000 -0.625) 0.723 24.499 ( 0.784 -0.000 0.291) 0.836 24.580 ( -0.581 0.000 0.511) 0.774 32.342 ( -0.550 0.000 -0.392) 0.675 32.403 ( 0.016 -0.000 -1.749) 1.749 32.406 ( 0.350 -0.000 -0.708) 0.790 32.417 ( 0.953 -0.000 1.614) 1.874 40.731 ( 4.995 -0.000 -8.185) 9.589 40.848 ( -1.829 0.000 7.509) 7.729 41.473 ( -0.505 0.000 0.517) 0.723 42.097 ( -11.056 0.000 -8.291) 13.820 44.442 ( -3.197 0.000 0.688) 3.270 44.779 ( -5.390 0.000 -0.031) 5.390 46.776 ( 12.722 -0.000 10.026) 16.198 47.835 ( 25.848 -0.000 -16.852) 30.857 ======================= Grid point 161 (80/129) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 5.019 1.352 3.600) 6.323 1.685 ( 5.409 -3.516 -5.572) 8.525 2.140 ( 0.179 5.120 13.023) 13.995 2.219 ( -8.985 4.920 3.421) 10.801 2.343 ( 1.277 1.681 0.926) 2.305 2.438 ( 5.200 2.174 -0.786) 5.691 2.527 ( 0.914 3.931 -2.413) 4.702 2.632 ( -0.459 -2.443 2.433) 3.478 2.685 ( -4.278 -8.187 1.686) 9.390 3.082 ( -7.368 -2.770 -0.557) 7.891 3.246 ( 3.809 -3.540 -0.139) 5.202 3.646 ( 3.727 -0.109 -6.263) 7.289 3.913 ( 3.445 7.076 -1.048) 7.939 3.989 ( -0.285 1.651 -1.981) 2.595 4.053 ( 3.219 1.273 2.530) 4.288 4.108 ( 3.844 1.351 1.098) 4.220 4.259 ( 4.019 4.177 3.437) 6.739 4.538 ( -0.007 1.168 -2.356) 2.630 4.663 ( 7.069 7.509 5.239) 11.567 5.033 ( 0.959 0.283 -2.337) 2.542 5.292 ( 0.017 2.239 -3.625) 4.261 5.360 ( 8.508 4.891 3.134) 10.302 5.530 ( -0.416 -1.060 0.047) 1.140 5.777 ( -4.021 3.910 -10.396) 11.812 6.229 ( -1.830 0.818 1.810) 2.701 6.318 ( 2.678 -0.822 2.737) 3.917 6.677 ( -3.013 0.852 -5.371) 6.217 6.684 ( 1.370 3.067 -0.460) 3.390 6.884 ( -5.321 -3.153 6.535) 8.998 6.996 ( 2.605 0.399 -2.498) 3.631 7.756 ( 12.831 0.972 3.903) 13.446 8.225 ( -5.743 -0.710 3.105) 6.567 8.630 ( -7.766 0.731 6.932) 10.436 8.958 ( -0.063 -3.326 4.380) 5.500 9.395 ( 3.596 4.681 0.850) 5.964 10.093 ( 9.126 2.581 -11.150) 14.638 19.107 ( 1.856 0.515 -0.265) 1.945 19.216 ( -0.228 0.472 0.759) 0.923 19.238 ( 0.351 -1.046 0.024) 1.104 19.273 ( -2.210 0.227 -0.808) 2.364 21.376 ( 1.368 -0.898 1.587) 2.280 21.378 ( -0.011 -0.759 -0.049) 0.761 21.474 ( -3.672 -0.926 0.804) 3.872 21.565 ( -4.014 -3.281 -2.786) 5.886 24.408 ( -0.290 -0.203 0.569) 0.670 24.453 ( -0.181 0.019 -0.572) 0.600 24.511 ( 0.694 0.051 0.330) 0.770 24.570 ( -0.928 0.185 0.012) 0.946 32.335 ( -0.162 0.100 0.135) 0.233 32.386 ( 0.234 0.852 -1.165) 1.462 32.421 ( 0.532 -0.957 -0.639) 1.268 32.436 ( 0.494 0.068 1.243) 1.340 40.782 ( 7.004 1.683 -1.035) 7.278 40.884 ( 0.542 -1.827 5.080) 5.425 41.485 ( 0.572 -0.913 1.386) 1.756 41.893 ( -8.808 1.676 -9.619) 13.149 44.457 ( -0.374 -5.023 1.424) 5.235 44.727 ( -4.324 -3.147 -1.101) 5.460 46.893 ( 5.417 10.760 10.809) 16.186 48.031 ( 15.906 2.601 -18.214) 24.321 ======================= Grid point 162 (81/129) ======================= q-point: (-0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 3.748 2.907 5.571) 7.317 1.745 ( -0.862 -1.886 -3.709) 4.249 2.019 ( -8.830 6.999 8.444) 14.081 2.152 ( -2.945 -0.850 5.933) 6.678 2.302 ( 1.715 7.216 0.030) 7.417 2.414 ( 2.112 5.922 -0.377) 6.299 2.565 ( 8.217 2.643 -0.163) 8.633 2.693 ( 1.738 -1.678 6.086) 6.548 2.736 ( -3.400 -5.492 -1.439) 6.617 3.067 ( -1.504 -7.279 -4.658) 8.771 3.356 ( 1.542 -7.892 -1.272) 8.142 3.625 ( -2.142 0.681 -7.005) 7.356 3.828 ( -2.507 8.720 1.314) 9.168 3.913 ( 3.528 9.724 -1.362) 10.433 4.041 ( -0.964 5.838 1.582) 6.125 4.160 ( 2.656 1.606 4.543) 5.502 4.226 ( 2.018 9.063 1.152) 9.356 4.453 ( -3.116 4.922 -0.596) 5.856 4.652 ( 2.974 7.963 5.192) 9.960 4.960 ( -3.314 5.519 -4.149) 7.659 5.215 ( -1.154 5.209 -2.577) 5.925 5.355 ( 0.038 7.050 4.169) 8.191 5.542 ( 0.050 -1.723 -1.594) 2.347 5.605 ( -1.973 5.745 -10.329) 11.983 6.197 ( -0.880 2.794 2.702) 3.985 6.388 ( 0.887 -1.459 4.238) 4.569 6.549 ( -1.069 5.130 -4.402) 6.844 6.707 ( 1.138 -1.657 -3.491) 4.028 6.871 ( -5.474 -1.440 6.075) 8.303 7.042 ( 4.803 -0.789 -0.520) 4.895 7.905 ( 9.481 6.063 5.681) 12.607 8.143 ( -6.769 -0.092 -1.073) 6.854 8.564 ( -5.971 -0.121 7.840) 9.856 9.017 ( -2.488 -6.012 1.308) 6.637 9.373 ( 2.080 6.055 1.915) 6.682 10.089 ( 5.612 5.375 -11.921) 14.230 19.125 ( 1.918 0.886 0.098) 2.115 19.199 ( -2.202 0.406 -0.746) 2.360 19.228 ( -1.085 -0.807 0.773) 1.557 19.268 ( 0.411 -0.217 -0.217) 0.513 21.397 ( -0.406 -1.711 0.019) 1.759 21.417 ( 0.601 -1.501 0.966) 1.884 21.475 ( -0.308 -3.387 1.056) 3.561 21.566 ( -0.334 -4.800 -2.708) 5.521 24.413 ( -0.026 -0.341 0.576) 0.670 24.449 ( 0.119 0.004 -0.516) 0.530 24.521 ( 0.576 0.170 0.449) 0.750 24.550 ( -1.097 0.360 -0.308) 1.195 32.334 ( -0.329 -0.014 0.169) 0.370 32.381 ( 0.873 0.217 -0.345) 0.963 32.431 ( -0.051 0.276 0.585) 0.649 32.447 ( 0.725 -0.378 -0.376) 0.900 40.885 ( 6.836 -0.088 7.448) 10.110 40.965 ( 3.698 -3.490 0.074) 5.086 41.519 ( 2.124 -0.370 0.119) 2.159 41.702 ( -7.433 1.619 -9.579) 12.232 44.574 ( 3.161 -8.404 1.813) 9.160 44.728 ( -2.020 -5.542 -1.906) 6.199 46.780 ( -1.994 18.889 12.054) 22.495 47.997 ( 4.551 9.525 -21.575) 24.019 ======================= Grid point 163 (82/129) ======================= q-point: (-0.25 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -0.944 3.810 4.464) 5.945 1.666 ( -7.612 -0.897 -1.964) 7.913 1.861 ( -8.923 5.382 8.374) 13.368 2.182 ( 2.045 0.733 3.706) 4.295 2.201 ( 0.467 11.516 2.003) 11.698 2.351 ( 0.140 7.436 0.296) 7.443 2.621 ( 0.427 2.485 -0.657) 2.605 2.737 ( 1.738 -2.501 -1.248) 3.291 2.795 ( 4.865 -0.337 5.375) 7.258 3.085 ( 0.144 1.880 -9.271) 9.461 3.362 ( -11.337 4.872 -1.169) 12.395 3.566 ( 2.543 -6.663 -0.056) 7.132 3.711 ( -0.667 4.793 -1.831) 5.175 3.816 ( 2.651 11.453 2.387) 11.996 3.914 ( -0.251 9.438 -0.180) 9.443 4.105 ( -1.656 6.840 -0.315) 7.045 4.195 ( 2.558 4.162 3.583) 6.059 4.361 ( 0.562 7.016 0.636) 7.067 4.601 ( -2.562 4.781 3.455) 6.431 4.810 ( 0.469 7.474 -4.782) 8.885 5.104 ( -2.108 6.760 0.409) 7.093 5.270 ( -2.721 3.719 -0.786) 4.675 5.496 ( 2.084 3.778 -4.863) 6.501 5.557 ( -0.148 -1.946 -1.914) 2.734 6.169 ( -0.228 2.191 3.256) 3.931 6.382 ( -2.858 1.729 1.211) 3.553 6.517 ( 4.926 2.008 -1.165) 5.445 6.719 ( 0.824 -1.137 -3.980) 4.221 6.836 ( -5.126 -0.658 5.500) 7.547 7.141 ( 5.873 -1.470 1.462) 6.229 7.897 ( 1.072 11.918 7.632) 14.192 8.049 ( -3.862 1.074 -2.772) 4.874 8.551 ( -1.999 -0.338 6.610) 6.914 9.046 ( -6.150 -6.740 0.522) 9.140 9.321 ( 0.283 5.344 0.914) 5.429 9.981 ( 1.290 7.685 -13.681) 15.744 19.130 ( -0.316 1.280 -0.074) 1.321 19.157 ( -0.906 0.422 -0.806) 1.284 19.245 ( 0.305 -1.138 1.324) 1.772 19.266 ( -0.521 0.014 -0.001) 0.521 21.379 ( -3.619 -1.810 -0.185) 4.050 21.481 ( 1.503 -1.787 1.021) 2.548 21.526 ( 0.984 -5.169 -0.102) 5.263 21.664 ( 4.705 -5.689 -1.152) 7.472 24.422 ( 0.256 -0.409 0.509) 0.702 24.451 ( 0.405 -0.006 -0.431) 0.592 24.522 ( -0.839 0.486 0.045) 0.971 24.533 ( 0.243 0.305 0.231) 0.453 32.326 ( -0.690 0.053 0.208) 0.722 32.391 ( -0.401 -0.170 0.088) 0.444 32.430 ( 1.037 0.337 -0.102) 1.096 32.462 ( 1.157 -0.163 -0.489) 1.267 41.003 ( -1.434 -3.917 1.292) 4.367 41.111 ( 8.883 -5.218 3.145) 10.772 41.536 ( -3.216 1.254 -7.324) 8.097 41.576 ( 2.634 -1.517 0.315) 3.056 44.738 ( 1.300 -8.098 -0.747) 8.236 44.843 ( 7.910 -9.831 -0.080) 12.618 46.501 ( -7.593 22.953 13.057) 27.477 47.682 ( -4.317 18.954 -24.861) 31.558 ======================= Grid point 164 (83/129) ======================= q-point: (-0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -4.619 -0.149 -0.194) 4.626 1.594 ( -4.520 -0.220 4.242) 6.203 1.721 ( -6.850 3.878 6.429) 10.163 1.985 ( -5.122 16.804 4.508) 18.137 2.210 ( 1.326 6.449 -0.210) 6.588 2.266 ( 1.326 1.652 2.590) 3.346 2.500 ( -8.193 1.756 -3.225) 8.979 2.759 ( 2.388 5.429 -5.570) 8.137 2.881 ( 6.435 2.948 2.819) 7.618 2.998 ( -1.131 6.743 6.287) 9.288 3.134 ( -0.645 5.749 -7.564) 9.523 3.598 ( 2.555 10.462 -0.012) 10.769 3.707 ( 3.412 -2.696 -0.157) 4.352 3.791 ( 0.747 8.656 0.639) 8.711 3.866 ( 3.780 -5.761 -0.383) 6.901 3.996 ( -1.645 5.062 -1.210) 5.459 4.173 ( 2.468 6.409 1.793) 7.098 4.298 ( 0.533 3.309 1.757) 3.784 4.523 ( -1.805 1.703 -0.773) 2.599 4.723 ( 3.488 8.256 -3.620) 9.666 4.997 ( -2.055 6.334 2.372) 7.068 5.210 ( -0.695 -0.725 -2.076) 2.307 5.483 ( 3.847 4.439 -1.108) 5.977 5.591 ( 0.102 -5.986 -1.439) 6.158 6.174 ( 0.775 0.300 2.828) 2.947 6.334 ( -1.076 1.470 0.993) 2.074 6.572 ( 6.119 2.140 -0.151) 6.484 6.720 ( 0.723 -0.135 -3.235) 3.317 6.817 ( -3.087 -1.774 5.115) 6.232 7.235 ( 3.524 0.009 1.489) 3.825 7.775 ( 0.193 15.504 11.971) 19.589 7.957 ( -2.890 0.190 -4.863) 5.660 8.555 ( -0.918 3.448 5.950) 6.938 9.008 ( -10.981 -6.098 1.491) 12.649 9.280 ( 1.730 1.838 -1.823) 3.113 9.820 ( 0.627 5.549 -15.011) 16.016 19.089 ( -1.894 0.666 -1.300) 2.391 19.151 ( 0.891 1.359 0.402) 1.674 19.251 ( -0.367 0.570 0.921) 1.144 19.285 ( 0.447 -2.022 1.105) 2.347 21.351 ( -3.333 -1.816 -0.307) 3.808 21.501 ( -1.592 -2.034 0.380) 2.611 21.632 ( 3.230 -4.218 0.184) 5.316 21.797 ( 4.034 -4.456 -0.330) 6.019 24.435 ( 0.488 -0.363 0.343) 0.698 24.455 ( 0.405 0.163 -0.278) 0.518 24.499 ( -1.046 0.341 -0.218) 1.122 24.541 ( 0.701 0.339 0.879) 1.175 32.319 ( -0.375 -0.055 0.522) 0.645 32.374 ( -1.262 0.294 0.343) 1.341 32.446 ( 1.102 -0.519 -2.059) 2.393 32.476 ( 1.227 0.580 0.029) 1.358 40.960 ( -7.137 -2.413 -6.626) 10.033 41.268 ( 0.806 -1.674 1.242) 2.235 41.440 ( -2.820 -2.528 -7.852) 8.718 41.780 ( 10.231 -11.125 6.528) 16.464 44.850 ( 2.609 -6.881 -2.882) 7.903 45.146 ( 12.176 -11.176 0.888) 16.552 46.129 ( -10.709 23.425 11.247) 28.105 47.194 ( -1.812 24.128 -23.246) 33.554 ======================= Grid point 169 (84/129) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 4.857 -0.000 5.881) 7.627 1.698 ( 0.892 -0.000 -2.312) 2.478 2.120 ( -5.208 0.000 5.646) 7.681 2.158 ( -13.143 -0.000 5.502) 14.248 2.391 ( 3.602 -0.000 0.998) 3.738 2.546 ( 3.735 -0.000 -2.199) 4.334 2.585 ( 4.616 0.000 -0.878) 4.699 2.626 ( 5.672 -0.000 -1.389) 5.839 2.646 ( 2.030 -0.000 8.258) 8.504 2.914 ( -9.757 -0.000 -1.232) 9.835 3.283 ( 4.714 -0.000 -3.537) 5.893 3.624 ( -0.904 -0.000 -8.381) 8.430 3.931 ( -2.934 -0.000 2.655) 3.957 4.020 ( 1.997 -0.000 -2.547) 3.237 4.114 ( 1.348 -0.000 2.942) 3.236 4.179 ( 2.395 -0.000 5.195) 5.720 4.382 ( 3.152 -0.000 5.574) 6.403 4.491 ( -5.389 -0.000 -3.236) 6.286 4.812 ( 1.470 -0.000 4.443) 4.680 5.009 ( -2.072 -0.000 -3.928) 4.441 5.290 ( 0.278 -0.000 -2.991) 3.004 5.483 ( -4.548 0.000 -0.052) 4.548 5.517 ( 4.254 -0.000 3.728) 5.656 5.678 ( -4.436 -0.000 -12.099) 12.887 6.244 ( 1.302 -0.000 2.376) 2.709 6.372 ( 2.731 -0.000 3.743) 4.633 6.604 ( -3.451 -0.000 -6.023) 6.942 6.704 ( -0.760 -0.000 -2.919) 3.017 6.835 ( -2.757 -0.000 5.750) 6.376 7.032 ( 3.661 -0.000 -1.599) 3.995 7.983 ( 13.030 -0.000 6.090) 14.383 8.140 ( -7.087 -0.000 0.610) 7.113 8.557 ( -7.495 -0.000 7.077) 10.308 8.934 ( -2.183 -0.000 2.334) 3.196 9.466 ( 0.365 -0.000 3.034) 3.056 10.163 ( 6.419 -0.000 -10.915) 12.663 19.135 ( 1.654 -0.000 0.281) 1.678 19.206 ( -3.008 -0.000 -1.277) 3.268 19.214 ( -0.767 -0.000 1.242) 1.460 19.267 ( 1.251 -0.000 -0.771) 1.470 21.374 ( 1.059 -0.000 -0.151) 1.070 21.394 ( -0.548 -0.000 1.792) 1.874 21.435 ( -1.889 -0.000 1.188) 2.231 21.497 ( 0.854 -0.000 -3.066) 3.183 24.408 ( 0.015 -0.000 0.594) 0.594 24.449 ( 0.104 -0.000 -0.557) 0.567 24.523 ( 0.599 -0.000 0.558) 0.819 24.555 ( -1.076 -0.000 -0.317) 1.121 32.334 ( -0.144 -0.000 -0.008) 0.145 32.382 ( -0.279 -0.000 -1.271) 1.301 32.433 ( 1.645 -0.000 0.462) 1.709 32.444 ( -0.181 -0.000 0.494) 0.527 40.899 ( 8.821 -0.000 -1.476) 8.944 40.913 ( 0.491 -0.000 6.262) 6.282 41.512 ( 2.566 -0.000 2.245) 3.410 41.730 ( -7.501 -0.000 -10.763) 13.119 44.454 ( 2.953 -0.000 2.556) 3.906 44.651 ( -2.201 -0.000 -2.278) 3.168 47.039 ( -3.179 -0.000 11.069) 11.517 48.113 ( 6.103 -0.000 -17.833) 18.848 ======================= Grid point 171 (85/129) ======================= q-point: (-0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -9.712 -0.210 -1.852) 9.889 1.701 ( -0.073 1.519 5.058) 5.281 1.971 ( -12.692 2.845 6.037) 14.340 2.161 ( 3.778 -1.238 6.549) 7.661 2.407 ( 1.852 4.197 0.044) 4.587 2.512 ( -0.565 3.364 -2.840) 4.439 2.650 ( 1.553 0.957 -3.507) 3.953 2.695 ( 7.404 0.795 -2.015) 7.714 2.767 ( 5.055 -1.014 7.375) 8.999 2.912 ( 1.126 -11.348 1.887) 11.558 3.313 ( 1.065 0.388 -5.380) 5.498 3.540 ( -4.267 -0.802 -7.472) 8.642 3.868 ( -4.375 4.955 2.711) 7.145 4.011 ( 0.124 2.222 -0.595) 2.303 4.092 ( -3.540 5.428 3.188) 7.222 4.228 ( -0.319 -0.087 5.962) 5.971 4.331 ( -4.135 5.838 -0.674) 7.186 4.441 ( -1.031 -0.492 3.145) 3.346 4.769 ( -4.865 5.469 5.203) 8.981 4.923 ( -4.109 1.686 -6.094) 7.541 5.258 ( -0.131 3.913 -0.684) 3.975 5.383 ( -5.335 2.379 -2.211) 6.245 5.520 ( -3.004 2.310 -4.484) 5.871 5.581 ( -0.069 -0.321 -2.868) 2.887 6.251 ( -0.123 3.367 2.646) 4.284 6.417 ( 0.287 1.142 4.295) 4.453 6.536 ( -1.012 -0.879 -4.680) 4.868 6.670 ( -1.832 -2.140 -4.978) 5.720 6.837 ( -1.158 0.825 4.170) 4.406 7.097 ( 5.057 -1.464 0.017) 5.264 8.025 ( -7.590 0.404 -2.713) 8.070 8.156 ( 6.906 4.129 11.296) 13.869 8.519 ( -1.900 -0.956 4.225) 4.730 8.919 ( -4.308 -2.632 2.336) 5.562 9.448 ( -1.699 3.156 2.851) 4.580 10.147 ( 3.012 3.997 -12.041) 13.040 19.150 ( -1.984 0.416 -0.637) 2.125 19.160 ( -0.073 -0.137 0.126) 0.200 19.218 ( -0.158 -0.604 1.374) 1.509 19.277 ( 0.886 0.386 -1.035) 1.416 21.364 ( -1.674 0.654 0.141) 1.803 21.415 ( -0.127 -3.127 -0.074) 3.130 21.447 ( 2.507 -0.735 1.119) 2.842 21.551 ( 4.992 -2.544 -1.141) 5.718 24.415 ( 0.293 -0.156 0.577) 0.666 24.450 ( 0.422 -0.015 -0.528) 0.676 24.533 ( -0.116 0.292 0.426) 0.529 24.537 ( -0.443 0.032 -0.039) 0.445 32.328 ( -0.506 0.142 -0.148) 0.546 32.376 ( -0.357 -0.658 -0.583) 0.949 32.436 ( -0.598 0.159 -0.460) 0.771 32.463 ( 1.882 0.066 0.527) 1.955 40.948 ( 0.461 -0.603 1.455) 1.641 41.032 ( 8.652 -1.437 0.818) 8.809 41.566 ( -4.243 0.888 -6.131) 7.508 41.575 ( 2.392 0.291 -1.572) 2.877 44.564 ( 5.342 -4.285 2.540) 7.304 44.648 ( 1.209 -4.121 -2.463) 4.951 46.932 ( -11.322 8.966 11.476) 18.447 47.996 ( -3.679 5.831 -18.782) 20.008 ======================= Grid point 172 (86/129) ======================= q-point: (-0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -11.157 -2.040 -2.690) 11.656 1.674 ( -2.327 3.036 4.858) 6.183 1.782 ( -13.739 1.707 5.232) 14.800 2.267 ( 2.453 1.801 6.204) 6.910 2.324 ( -1.039 5.466 -0.836) 5.626 2.425 ( -2.810 5.854 -2.536) 6.971 2.594 ( -1.448 6.062 -2.005) 6.547 2.788 ( 5.143 -1.234 -3.131) 6.146 2.902 ( 5.368 -1.738 7.617) 9.479 3.072 ( 2.800 0.817 -7.205) 7.773 3.238 ( -4.589 -4.051 3.863) 7.238 3.511 ( -0.733 -4.716 -2.595) 5.433 3.712 ( -5.324 6.043 -2.347) 8.389 3.909 ( -8.143 7.589 4.656) 12.066 3.970 ( -1.615 2.172 -1.943) 3.332 4.213 ( 0.070 8.993 0.680) 9.019 4.242 ( -2.028 -1.573 3.141) 4.056 4.444 ( 0.442 2.705 0.695) 2.828 4.610 ( -8.840 5.737 4.225) 11.354 4.835 ( -0.964 0.412 -5.202) 5.307 5.178 ( -1.347 6.700 1.690) 7.040 5.270 ( -2.030 3.695 -3.551) 5.512 5.448 ( -2.389 -2.991 -4.681) 6.047 5.575 ( -0.129 1.157 0.222) 1.185 6.204 ( -2.238 2.435 3.917) 5.127 6.386 ( -1.810 2.717 1.945) 3.800 6.568 ( 3.039 -2.757 -1.549) 4.386 6.657 ( -2.648 -4.697 -5.185) 7.480 6.819 ( -0.261 2.583 2.973) 3.947 7.205 ( 5.074 -2.272 1.305) 5.710 7.899 ( -5.661 -0.237 -5.422) 7.842 8.185 ( -1.145 8.988 17.953) 20.109 8.567 ( 4.727 0.253 -0.193) 4.738 8.890 ( -7.719 -3.098 3.753) 9.125 9.381 ( -1.752 4.323 1.221) 4.822 10.009 ( -0.875 8.079 -14.542) 16.659 19.101 ( -2.651 0.281 -1.154) 2.905 19.170 ( 0.370 0.145 0.637) 0.751 19.240 ( 0.396 -1.225 1.603) 2.056 19.272 ( 0.404 0.915 -0.475) 1.107 21.336 ( -1.004 0.660 0.197) 1.218 21.441 ( -0.692 -2.469 -0.198) 2.572 21.537 ( 5.179 -2.681 0.604) 5.864 21.675 ( 5.983 -4.333 -0.314) 7.394 24.426 ( 0.510 -0.277 0.488) 0.758 24.456 ( 0.667 -0.016 -0.463) 0.812 24.512 ( -1.132 0.476 -0.373) 1.284 24.547 ( 0.622 0.169 1.098) 1.273 32.318 ( -0.650 -0.000 0.147) 0.666 32.375 ( -1.049 -0.482 0.169) 1.166 32.425 ( -0.168 -0.652 -1.824) 1.945 32.488 ( 1.644 0.280 0.187) 1.678 40.919 ( -3.946 -0.343 -8.186) 9.094 41.193 ( 7.937 -3.075 2.754) 8.947 41.434 ( -4.641 1.397 -5.610) 7.413 41.661 ( 6.401 -1.007 2.484) 6.940 44.671 ( 2.759 -5.339 -2.027) 6.342 44.843 ( 10.268 -11.047 1.340) 15.141 46.633 ( -17.015 14.162 11.567) 24.977 47.669 ( -9.366 12.380 -19.819) 25.174 ======================= Grid point 173 (87/129) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -6.248 -5.346 -2.611) 8.628 1.596 ( -9.867 -1.876 -1.774) 10.199 1.640 ( -5.147 2.943 11.903) 13.298 2.095 ( -10.034 11.841 0.470) 15.528 2.224 ( -7.283 4.803 -4.344) 9.746 2.367 ( 3.070 2.342 7.477) 8.416 2.458 ( -1.263 7.090 -0.215) 7.205 2.785 ( -1.905 0.873 -4.228) 4.719 2.986 ( 1.625 2.019 -1.520) 3.004 3.086 ( 4.704 -2.079 3.315) 6.119 3.182 ( -1.360 9.126 -0.797) 9.261 3.594 ( -4.400 0.538 -3.675) 5.758 3.669 ( 4.762 -12.277 0.834) 13.195 3.794 ( -3.958 -1.341 3.581) 5.503 3.902 ( -0.983 2.782 -2.728) 4.019 4.089 ( -0.150 9.422 -0.303) 9.428 4.253 ( 0.077 0.160 1.621) 1.631 4.370 ( -1.207 5.369 -0.115) 5.504 4.484 ( -4.664 0.666 0.971) 4.810 4.801 ( -0.623 1.384 -3.390) 3.714 5.076 ( -0.631 6.317 -0.565) 6.373 5.218 ( 0.989 2.432 2.162) 3.401 5.482 ( -1.118 -8.221 -2.556) 8.682 5.550 ( 0.078 1.583 -1.105) 1.932 6.186 ( -1.871 -0.485 4.883) 5.252 6.344 ( -1.333 1.355 1.844) 2.648 6.637 ( -0.427 -2.793 -1.577) 3.236 6.657 ( 0.378 -3.544 -3.265) 4.833 6.823 ( 2.355 0.547 2.557) 3.519 7.272 ( 0.496 0.436 -0.016) 0.660 7.861 ( 0.054 -5.223 -4.622) 6.975 8.106 ( 1.131 17.043 19.122) 25.640 8.601 ( 1.247 2.102 -0.120) 2.447 8.813 ( -10.590 -2.088 5.490) 12.109 9.319 ( 0.092 2.925 -1.134) 3.138 9.801 ( -1.247 5.933 -16.878) 17.934 19.059 ( -1.695 0.158 -1.428) 2.222 19.174 ( 0.047 0.230 0.766) 0.801 19.264 ( 0.324 0.980 0.576) 1.182 19.273 ( 0.310 -1.553 1.538) 2.207 21.320 ( -0.036 0.941 0.533) 1.082 21.460 ( -0.223 -1.540 -0.651) 1.686 21.644 ( 3.771 -2.466 0.400) 4.523 21.806 ( 4.457 -3.438 -0.080) 5.629 24.441 ( 0.544 -0.298 0.339) 0.707 24.463 ( 0.667 0.187 -0.346) 0.775 24.488 ( -0.976 0.382 -0.291) 1.088 24.560 ( 0.628 0.309 1.308) 1.484 32.314 ( -0.414 -0.350 0.403) 0.676 32.364 ( -0.864 -0.050 0.731) 1.133 32.425 ( -0.239 -1.132 -2.505) 2.760 32.501 ( 0.891 0.509 -0.539) 1.159 40.770 ( -8.758 -1.188 -12.092) 14.978 41.299 ( -2.327 4.698 0.829) 5.308 41.369 ( 4.585 -3.902 -3.830) 7.135 41.818 ( 6.307 -5.683 3.974) 9.374 44.795 ( 4.548 -7.150 -2.957) 8.974 45.165 ( 10.558 -11.526 0.930) 15.659 46.228 ( -18.886 15.819 9.328) 26.342 47.284 ( -3.422 12.016 -18.101) 21.994 ======================= Grid point 179 (88/129) ======================= q-point: (-0.38 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -12.793 0.000 -1.380) 12.867 1.714 ( -2.873 0.000 2.531) 3.829 1.807 ( -15.361 0.000 5.104) 16.186 2.283 ( 6.362 -0.000 8.262) 10.428 2.419 ( -6.566 0.000 -6.204) 9.034 2.460 ( 0.524 -0.000 -0.583) 0.784 2.742 ( 6.101 -0.000 -1.991) 6.418 2.779 ( 4.974 -0.000 -6.667) 8.318 2.830 ( 2.728 -0.000 2.586) 3.759 2.942 ( 8.673 -0.000 11.956) 14.770 3.314 ( 0.026 -0.000 -5.107) 5.107 3.398 ( -8.015 0.000 -5.557) 9.753 3.838 ( -6.559 0.000 0.383) 6.570 3.995 ( -3.021 0.000 -1.428) 3.341 4.096 ( -15.367 0.000 4.288) 15.954 4.132 ( -2.319 0.000 4.354) 4.933 4.364 ( 2.519 -0.000 0.587) 2.586 4.430 ( -3.463 0.000 4.783) 5.905 4.709 ( -11.469 0.000 5.673) 12.795 4.823 ( -5.279 0.000 -7.935) 9.531 5.293 ( -5.722 0.000 -3.436) 6.674 5.299 ( 0.969 -0.000 2.881) 3.039 5.439 ( -2.973 0.000 -10.889) 11.287 5.574 ( -1.959 0.000 3.377) 3.904 6.270 ( -3.089 0.000 3.043) 4.336 6.466 ( -2.023 0.000 -3.990) 4.473 6.469 ( 0.502 -0.000 5.323) 5.347 6.558 ( -5.509 0.000 -6.657) 8.641 6.884 ( 2.534 -0.000 2.280) 3.409 7.156 ( 4.746 -0.000 0.601) 4.784 7.896 ( -7.411 0.000 -4.999) 8.939 8.271 ( -6.402 0.000 20.775) 21.739 8.599 ( 12.600 -0.000 -3.080) 12.971 8.848 ( -5.785 0.000 3.841) 6.944 9.444 ( -3.203 0.000 2.159) 3.862 10.137 ( 0.701 -0.000 -13.559) 13.578 19.105 ( -2.830 0.000 -0.839) 2.951 19.169 ( 0.026 -0.000 0.595) 0.596 19.224 ( 0.472 -0.000 1.714) 1.777 19.287 ( 0.912 -0.000 -1.275) 1.568 21.364 ( 0.074 -0.000 0.027) 0.079 21.392 ( 0.559 -0.000 0.228) 0.604 21.503 ( 4.797 -0.000 1.125) 4.927 21.609 ( 6.134 -0.000 -0.703) 6.174 24.423 ( 0.496 -0.000 0.554) 0.743 24.455 ( 0.705 -0.000 -0.540) 0.888 24.519 ( -1.103 0.000 -0.480) 1.203 24.549 ( 0.630 -0.000 1.321) 1.463 32.320 ( -0.702 0.000 -0.269) 0.752 32.360 ( -0.762 0.000 0.001) 0.762 32.419 ( -1.029 0.000 -1.267) 1.632 32.492 ( 1.639 -0.000 0.075) 1.641 40.923 ( -1.680 0.000 -8.888) 9.045 41.149 ( 7.997 -0.000 1.384) 8.116 41.459 ( -4.220 0.000 -4.286) 6.015 41.654 ( 5.291 -0.000 1.840) 5.602 44.622 ( 2.329 -0.000 -3.294) 4.035 44.657 ( 8.345 -0.000 3.462) 9.035 46.822 ( -19.482 0.000 10.718) 22.235 47.831 ( -10.979 0.000 -18.003) 21.087 ======================= Grid point 180 (89/129) ======================= q-point: (-0.25 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -9.009 -1.468 -0.604) 9.148 1.547 ( -16.797 -1.137 -3.882) 17.277 1.727 ( -2.291 2.198 10.416) 10.889 2.265 ( -7.024 4.043 -3.232) 8.725 2.369 ( -3.684 2.650 1.473) 4.771 2.421 ( -0.930 1.316 1.075) 1.938 2.719 ( 1.553 8.665 0.192) 8.805 2.748 ( -6.140 -0.588 -4.671) 7.738 2.952 ( 3.755 -5.050 1.780) 6.540 3.124 ( 1.359 4.877 -4.760) 6.949 3.214 ( 4.377 -3.362 10.480) 11.844 3.380 ( -4.090 -8.739 -1.616) 9.783 3.669 ( -9.547 5.902 -2.961) 11.608 3.867 ( -11.374 3.563 4.402) 12.706 3.928 ( -4.153 -0.096 -3.180) 5.232 4.152 ( -4.401 -5.174 3.773) 7.771 4.312 ( -2.164 7.124 0.287) 7.451 4.443 ( -1.053 -1.983 -0.673) 2.344 4.544 ( -10.872 2.544 5.573) 12.480 4.735 ( -3.967 -3.548 -7.240) 8.986 5.196 ( -3.133 1.361 -3.809) 5.116 5.323 ( 1.555 3.555 6.505) 7.574 5.349 ( -2.501 -0.380 -7.177) 7.610 5.548 ( -3.733 -1.082 0.406) 3.908 6.208 ( -4.455 2.479 4.548) 6.832 6.400 ( -3.141 2.624 -0.895) 4.190 6.485 ( -3.659 -6.454 -4.090) 8.472 6.538 ( -0.101 -4.999 0.649) 5.042 6.905 ( 3.004 3.958 1.449) 5.176 7.239 ( 3.002 -2.260 1.043) 3.900 7.776 ( -5.081 -1.241 -6.089) 8.027 8.281 ( -7.058 -0.242 23.417) 24.459 8.747 ( 12.290 5.860 -3.886) 14.159 8.788 ( -5.627 -0.399 5.322) 7.755 9.393 ( -2.689 1.886 0.492) 3.321 9.999 ( -2.811 6.434 -17.082) 18.469 19.063 ( -2.143 0.133 -0.790) 2.288 19.168 ( -0.621 -0.315 0.326) 0.769 19.246 ( 0.489 -0.484 2.032) 2.146 19.290 ( 0.926 0.638 -0.654) 1.301 21.364 ( 1.675 1.860 0.693) 2.597 21.420 ( 1.320 -1.416 -0.237) 1.950 21.591 ( 5.160 -1.178 0.837) 5.359 21.716 ( 6.438 -2.609 -0.469) 6.962 24.434 ( 0.583 -0.140 0.466) 0.760 24.464 ( 0.887 -0.012 -0.558) 1.048 24.499 ( -1.048 0.288 -0.366) 1.147 24.567 ( 0.786 0.175 1.728) 1.907 32.308 ( -0.771 -0.074 0.120) 0.784 32.354 ( -1.029 -0.595 0.548) 1.309 32.399 ( -0.781 -0.518 -1.856) 2.079 32.508 ( 0.913 0.086 -0.734) 1.174 40.778 ( -7.206 1.040 -18.013) 19.428 41.277 ( 6.987 -2.222 0.069) 7.333 41.399 ( -1.885 2.140 1.084) 3.051 41.750 ( 5.751 -0.752 3.188) 6.618 44.660 ( 4.157 -1.958 -2.705) 5.332 44.868 ( 10.237 -8.836 2.277) 13.714 46.518 ( -24.258 5.867 9.827) 26.822 47.507 ( -14.607 4.591 -18.591) 24.085 ======================= Grid point 181 (90/129) ======================= q-point: (-0.12 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -3.678 -4.084 0.007) 5.496 1.338 ( -15.137 -6.032 0.859) 16.317 1.712 ( -1.501 4.944 8.578) 10.014 2.033 ( -14.903 8.601 -2.502) 17.388 2.137 ( -8.097 2.771 -0.912) 8.606 2.450 ( -0.056 0.594 5.978) 6.007 2.586 ( -0.612 11.200 1.472) 11.313 2.642 ( -11.119 -6.286 -3.547) 13.256 2.942 ( -7.288 0.975 -6.126) 9.570 3.117 ( 3.160 -3.566 -0.189) 4.769 3.290 ( -1.598 3.080 1.164) 3.660 3.497 ( -3.690 -1.550 -1.279) 4.202 3.591 ( 7.670 -12.492 4.164) 15.239 3.735 ( -6.219 1.635 3.061) 7.122 3.858 ( -4.413 -1.563 -2.935) 5.525 4.167 ( -2.696 6.592 -2.814) 7.657 4.193 ( -2.941 -7.078 2.250) 7.988 4.379 ( -4.686 2.872 1.346) 5.659 4.451 ( -2.783 1.734 0.132) 3.281 4.695 ( -5.705 -4.601 -5.418) 9.114 5.122 ( -0.040 3.629 -4.154) 5.516 5.320 ( -2.599 -5.098 0.970) 5.804 5.327 ( 0.732 3.256 4.017) 5.222 5.518 ( -2.240 -2.018 -1.873) 3.550 6.161 ( -3.809 -0.567 5.075) 6.371 6.332 ( -3.064 -0.491 -0.545) 3.150 6.509 ( -2.687 -5.340 -1.209) 6.098 6.621 ( 0.993 -5.987 -0.572) 6.095 6.910 ( 3.841 3.546 2.185) 5.666 7.262 ( -2.140 0.573 -1.160) 2.501 7.759 ( -0.644 -6.105 -2.534) 6.642 8.361 ( 0.400 -0.984 24.376) 24.399 8.686 ( -5.960 4.172 2.876) 7.823 8.760 ( 4.251 12.256 -2.802) 13.271 9.338 ( -0.680 1.931 -1.811) 2.733 9.751 ( -3.385 5.564 -19.822) 20.864 19.033 ( -1.136 0.056 -0.928) 1.468 19.168 ( -0.627 -0.787 0.414) 1.088 19.268 ( -0.119 -0.782 1.927) 2.083 19.292 ( 1.028 1.058 0.327) 1.511 21.371 ( 2.622 2.615 1.237) 3.904 21.452 ( 1.578 -0.520 -1.214) 2.057 21.676 ( 3.513 -1.103 0.482) 3.714 21.833 ( 4.702 -2.306 -0.459) 5.257 24.447 ( 0.473 -0.185 0.320) 0.600 24.473 ( 0.503 0.261 -0.501) 0.756 24.479 ( -0.524 0.253 -0.245) 0.631 24.583 ( 0.673 0.615 1.684) 1.915 32.303 ( -0.638 -0.408 0.450) 0.881 32.354 ( -0.470 -0.745 0.996) 1.329 32.391 ( -0.616 -1.100 -1.710) 2.124 32.507 ( 0.146 0.248 -1.525) 1.552 40.543 ( -10.764 -1.125 -14.980) 18.481 41.311 ( -0.820 4.110 -4.612) 6.232 41.421 ( 4.974 -1.728 2.974) 6.048 41.864 ( 4.392 -1.769 4.233) 6.351 44.765 ( 5.164 -5.630 -2.590) 8.067 45.164 ( 9.171 -10.967 0.926) 14.327 46.113 ( -24.490 8.283 7.453) 26.905 47.188 ( -7.548 -0.518 -18.809) 20.274 ======================= Grid point 188 (91/129) ======================= q-point: (-0.25 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -4.171 0.000 1.763) 4.528 1.256 ( -18.246 0.000 -2.559) 18.425 1.796 ( 0.850 -0.000 10.650) 10.684 2.176 ( -7.380 0.000 -2.654) 7.843 2.250 ( -13.413 0.000 -5.039) 14.328 2.438 ( -2.164 0.000 4.090) 4.628 2.489 ( -21.961 0.000 -2.631) 22.118 2.839 ( 0.512 -0.000 -1.798) 1.870 2.934 ( 0.630 -0.000 1.748) 1.858 3.056 ( -14.274 0.000 -5.688) 15.365 3.192 ( -5.736 0.000 0.778) 5.788 3.406 ( 12.188 -0.000 11.417) 16.700 3.581 ( -7.919 0.000 0.355) 7.927 3.714 ( -10.334 0.000 3.112) 10.793 3.858 ( -3.210 0.000 -5.069) 6.000 4.064 ( -5.419 0.000 4.921) 7.320 4.287 ( -7.089 0.000 -6.695) 9.751 4.395 ( -0.562 0.000 -2.438) 2.502 4.461 ( -7.182 0.000 8.263) 10.948 4.623 ( -1.451 0.000 -8.936) 9.054 5.123 ( -3.574 0.000 -4.308) 5.597 5.309 ( 1.146 -0.000 -6.502) 6.602 5.422 ( 0.506 -0.000 6.842) 6.861 5.463 ( -4.786 0.000 2.812) 5.551 6.185 ( -5.363 0.000 5.513) 7.691 6.304 ( -5.874 0.000 -6.390) 8.680 6.408 ( -0.236 0.000 -1.138) 1.163 6.512 ( -0.474 0.000 3.724) 3.754 6.988 ( 3.390 -0.000 1.386) 3.663 7.250 ( -0.250 0.000 0.571) 0.624 7.676 ( -2.402 0.000 -5.202) 5.730 8.311 ( -3.956 0.000 22.797) 23.138 8.710 ( -7.571 0.000 6.927) 10.262 8.986 ( 14.000 -0.000 -3.516) 14.435 9.368 ( -2.064 0.000 -0.661) 2.167 9.870 ( -7.437 0.000 -22.507) 23.704 19.035 ( -1.445 0.000 -0.386) 1.496 19.154 ( -0.984 0.000 -0.187) 1.002 19.259 ( 0.039 -0.000 2.223) 2.223 19.307 ( 1.227 -0.000 -0.236) 1.250 21.420 ( 3.059 -0.000 0.941) 3.201 21.436 ( 2.278 -0.000 -0.262) 2.293 21.660 ( 4.612 -0.000 0.753) 4.673 21.790 ( 6.541 -0.000 -0.798) 6.589 24.444 ( 0.519 -0.000 0.356) 0.629 24.474 ( 0.960 -0.000 -0.713) 1.196 24.486 ( -0.865 0.000 -0.192) 0.886 24.593 ( 1.191 -0.000 2.078) 2.395 32.298 ( -0.683 0.000 0.723) 0.995 32.338 ( -1.008 0.000 0.737) 1.249 32.375 ( -0.747 0.000 -1.456) 1.636 32.510 ( 0.265 -0.000 -1.531) 1.554 40.540 ( -11.453 0.000 -21.048) 23.962 41.343 ( 5.406 -0.000 -2.773) 6.076 41.411 ( -0.789 0.000 2.712) 2.824 41.852 ( 5.553 -0.000 6.249) 8.360 44.703 ( 5.249 -0.000 -2.852) 5.973 44.955 ( 9.235 -0.000 2.228) 9.500 46.227 ( -27.391 0.000 8.323) 28.627 47.178 ( -19.277 0.000 -20.515) 28.151 ======================= Grid point 189 (92/129) ======================= q-point: (-0.12 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -12.686 -5.544 6.350) 15.231 1.148 ( -5.306 -1.491 4.500) 7.115 1.782 ( -7.401 7.847 4.161) 11.561 1.901 ( -12.918 5.703 -1.099) 14.164 2.075 ( -4.893 0.529 1.880) 5.268 2.253 ( -21.754 -13.148 -0.462) 25.423 2.410 ( -7.508 -4.591 2.916) 9.271 2.704 ( -6.871 7.443 -3.401) 10.685 2.770 ( -8.758 5.111 -4.452) 11.074 3.046 ( -2.584 -9.619 2.345) 10.232 3.128 ( -9.730 -6.708 -2.870) 12.162 3.440 ( -5.183 -0.432 -2.858) 5.934 3.675 ( 4.324 -3.195 7.763) 9.443 3.685 ( -0.659 -2.690 8.262) 8.714 3.758 ( -1.678 1.837 -5.346) 5.896 4.064 ( -3.078 -5.468 3.781) 7.326 4.146 ( -3.436 1.026 -7.655) 8.454 4.352 ( -2.792 1.436 0.920) 3.272 4.418 ( -3.351 -0.037 0.591) 3.403 4.560 ( -3.171 0.291 -7.091) 7.773 5.088 ( -1.285 -4.473 -5.333) 7.078 5.235 ( -2.275 5.394 -2.674) 6.436 5.413 ( 0.130 -4.970 -4.021) 6.394 5.494 ( 0.383 4.935 12.042) 13.019 6.131 ( -3.770 0.706 4.145) 5.647 6.230 ( -3.812 -3.521 -3.830) 6.450 6.441 ( 0.465 -4.033 0.978) 4.176 6.551 ( -0.399 -4.214 1.879) 4.632 7.026 ( 3.930 3.027 2.498) 5.554 7.217 ( -3.886 0.301 -1.511) 4.180 7.677 ( 0.496 -3.958 -1.126) 4.145 8.437 ( 2.189 -3.878 16.991) 17.565 8.630 ( -8.134 1.326 7.188) 10.936 9.032 ( 4.121 14.890 -4.303) 16.038 9.340 ( 0.838 0.579 -2.877) 3.052 9.587 ( -8.608 -1.194 -23.695) 25.238 19.019 ( -0.517 0.057 -0.122) 0.534 19.145 ( -0.800 -1.043 -0.280) 1.344 19.268 ( -0.665 -0.181 2.052) 2.165 19.322 ( 1.276 0.603 0.276) 1.438 21.453 ( 2.999 1.811 0.581) 3.552 21.474 ( 2.561 0.149 -0.674) 2.652 21.720 ( 3.013 0.103 0.592) 3.072 21.878 ( 4.910 -0.664 -1.047) 5.064 24.451 ( 0.169 -0.095 0.041) 0.198 24.473 ( -0.461 0.424 0.176) 0.651 24.483 ( 0.851 -0.062 -0.818) 1.182 24.614 ( 0.858 1.068 1.258) 1.860 32.298 ( -0.179 0.208 1.445) 1.471 32.339 ( -0.404 -1.185 0.532) 1.360 32.366 ( -0.387 -0.899 -0.175) 0.994 32.500 ( -0.040 0.261 -2.041) 2.058 40.299 ( -9.046 -2.148 -7.479) 11.932 41.343 ( 0.648 4.378 -4.149) 6.067 41.447 ( 2.087 -3.516 -0.861) 4.178 41.955 ( 3.436 1.397 8.575) 9.342 44.775 ( 4.948 -1.910 -2.190) 5.738 45.158 ( 7.811 -9.176 0.543) 12.063 45.853 ( -25.950 3.362 5.850) 26.813 46.831 ( -16.539 -10.470 -23.195) 30.351 ======================= Grid point 197 (93/129) ======================= q-point: (-0.12 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -6.719 0.000 16.227) 17.563 1.030 ( -17.736 0.000 7.956) 19.439 1.616 ( -33.216 0.000 9.377) 34.515 1.779 ( -7.564 0.000 -6.120) 9.730 1.835 ( -2.450 0.000 -0.229) 2.461 2.121 ( -1.006 0.000 7.597) 7.663 2.165 ( -14.179 0.000 -1.563) 14.265 2.577 ( -5.788 0.000 -4.579) 7.380 2.803 ( -14.735 0.000 3.133) 15.065 2.841 ( -0.961 0.000 -2.702) 2.868 2.963 ( -3.120 0.000 -4.970) 5.868 3.279 ( -11.705 0.000 -2.569) 11.983 3.657 ( -5.678 0.000 -3.695) 6.774 3.751 ( -2.232 0.000 3.325) 4.004 3.751 ( 6.005 -0.000 2.145) 6.377 4.024 ( -1.033 0.000 2.464) 2.672 4.110 ( 2.426 -0.000 -0.626) 2.506 4.346 ( 0.196 -0.000 -4.145) 4.149 4.371 ( -3.757 0.000 4.613) 5.949 4.506 ( -0.840 0.000 -6.049) 6.107 5.009 ( 0.446 -0.000 -4.631) 4.653 5.239 ( -4.044 0.000 -4.439) 6.005 5.368 ( 5.444 -0.000 -2.146) 5.852 5.612 ( -0.048 0.000 10.765) 10.766 6.120 ( -1.808 0.000 4.313) 4.677 6.143 ( -1.172 0.000 -3.688) 3.869 6.420 ( 1.244 -0.000 0.191) 1.258 6.537 ( -0.510 0.000 3.391) 3.429 7.115 ( 3.286 -0.000 3.422) 4.744 7.149 ( -4.303 0.000 -1.459) 4.544 7.677 ( 2.979 -0.000 -0.020) 2.979 8.446 ( -13.359 0.000 -9.452) 16.365 8.564 ( -8.201 0.000 7.548) 11.145 9.037 ( -9.888 0.000 -6.531) 11.851 9.337 ( 1.015 -0.000 -1.999) 2.242 9.401 ( 6.101 -0.000 -8.604) 10.548 19.019 ( 0.185 -0.000 0.599) 0.627 19.121 ( -0.758 0.000 -0.862) 1.148 19.264 ( -1.152 0.000 1.870) 2.196 19.342 ( 0.718 -0.000 -0.157) 0.735 21.490 ( 1.879 -0.000 -1.524) 2.419 21.523 ( 2.613 -0.000 1.281) 2.910 21.766 ( 2.438 -0.000 1.335) 2.780 21.937 ( 3.999 -0.000 -1.441) 4.251 24.449 ( -0.169 0.000 -0.195) 0.258 24.476 ( 0.085 -0.000 0.549) 0.556 24.489 ( 0.619 -0.000 -1.072) 1.238 24.630 ( -0.682 0.000 -1.204) 1.384 32.321 ( -0.462 0.000 -0.116) 0.477 32.331 ( 1.996 -0.000 2.719) 3.373 32.354 ( -0.272 0.000 0.823) 0.867 32.493 ( 0.357 -0.000 -2.096) 2.126 40.327 ( 18.439 -0.000 20.506) 27.577 41.375 ( -2.928 0.000 -0.833) 3.044 41.404 ( 3.565 -0.000 -8.194) 8.936 42.056 ( -0.039 0.000 12.008) 12.008 44.828 ( 4.489 -0.000 -2.186) 4.993 45.169 ( 3.803 -0.000 -1.842) 4.226 45.560 ( -20.740 0.000 5.055) 21.347 46.264 ( -28.695 0.000 -22.713) 36.596 ======================= Grid point 198 (94/129) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 2.941 -0.000 14.245) 14.545 1.188 ( -4.591 0.000 13.106) 13.887 1.360 ( -3.282 0.000 -4.368) 5.464 1.478 ( 8.756 -0.000 -9.816) 13.154 1.894 ( 0.945 -0.000 3.626) 3.747 2.013 ( 2.283 -0.000 -6.477) 6.868 2.368 ( -5.845 0.000 -0.377) 5.857 2.408 ( 3.049 -0.000 -3.412) 4.576 2.579 ( -0.226 0.000 15.830) 15.831 2.809 ( 3.854 -0.000 -2.191) 4.433 2.859 ( -5.209 0.000 0.008) 5.209 2.900 ( -1.687 0.000 1.466) 2.235 3.372 ( 4.549 -0.000 -1.673) 4.847 3.455 ( -6.209 0.000 -7.627) 9.835 3.852 ( -0.222 0.000 1.991) 2.004 3.918 ( -3.270 0.000 -3.896) 5.087 4.133 ( -0.920 0.000 4.587) 4.678 4.230 ( 0.545 -0.000 -4.295) 4.329 4.442 ( -7.486 0.000 3.489) 8.259 4.536 ( 10.889 -0.000 -5.208) 12.070 5.113 ( -3.148 0.000 0.024) 3.148 5.120 ( 5.297 -0.000 -0.369) 5.310 5.609 ( -11.972 0.000 1.446) 12.059 5.610 ( 12.248 -0.000 1.420) 12.330 6.139 ( 3.923 -0.000 0.172) 3.927 6.149 ( -3.378 0.000 -0.211) 3.385 6.507 ( 3.182 -0.000 1.326) 3.447 6.527 ( -3.595 0.000 -0.347) 3.612 7.112 ( 5.581 -0.000 1.041) 5.678 7.129 ( -12.053 0.000 -0.519) 12.064 7.473 ( -5.876 0.000 12.085) 13.438 7.696 ( 4.586 -0.000 -7.924) 9.155 8.629 ( -11.260 0.000 14.610) 18.446 8.983 ( 13.331 -0.000 -17.414) 21.931 9.359 ( 2.728 -0.000 0.444) 2.764 9.404 ( -1.780 0.000 -3.876) 4.265 19.050 ( 0.239 -0.000 0.858) 0.891 19.071 ( -0.245 0.000 -1.127) 1.153 19.281 ( -1.024 0.000 1.664) 1.954 19.314 ( 0.672 -0.000 -1.380) 1.535 21.553 ( 1.898 -0.000 0.831) 2.072 21.566 ( -1.683 0.000 -0.282) 1.707 21.883 ( 0.071 -0.000 2.204) 2.205 21.929 ( -0.064 0.000 -2.095) 2.096 24.447 ( 0.057 -0.000 0.237) 0.244 24.456 ( -0.385 0.000 -0.624) 0.733 24.509 ( 0.815 -0.000 0.825) 1.160 24.523 ( -1.415 0.000 -0.528) 1.510 32.324 ( -0.276 0.000 1.298) 1.327 32.359 ( 0.387 -0.000 -1.761) 1.803 32.413 ( 0.590 -0.000 1.538) 1.647 32.444 ( -0.260 0.000 -1.450) 1.473 41.155 ( -4.888 0.000 0.368) 4.902 41.229 ( 3.924 -0.000 -6.321) 7.440 42.185 ( -24.725 0.000 9.174) 26.372 42.365 ( 43.712 -0.000 -7.293) 44.316 44.851 ( 4.852 -0.000 1.091) 4.973 44.902 ( -6.647 0.000 -3.550) 7.535 45.428 ( -4.225 0.000 1.205) 4.394 45.433 ( 1.946 -0.000 0.729) 2.078 ======================= Grid point 199 (95/129) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 3.546 -7.429 5.334) 9.809 1.349 ( 5.669 -10.364 6.557) 13.511 1.428 ( 10.961 -7.266 -3.927) 13.724 1.748 ( 14.051 -12.237 -7.101) 19.940 1.970 ( 3.250 -7.005 0.331) 7.729 2.048 ( 3.120 -8.272 -4.107) 9.748 2.288 ( -4.733 2.773 0.684) 5.528 2.518 ( 9.152 -7.206 -0.143) 11.650 2.638 ( -0.441 2.210 11.074) 11.301 2.796 ( -0.919 -1.947 -5.086) 5.523 2.881 ( 2.993 2.241 -2.522) 4.511 2.957 ( 7.530 -5.588 5.718) 10.983 3.370 ( -3.667 -6.262 -3.668) 8.130 3.492 ( 5.726 -4.105 2.630) 7.520 3.900 ( -1.617 -4.137 0.423) 4.462 3.947 ( 4.543 -4.918 2.897) 7.295 4.137 ( -1.172 0.857 4.286) 4.525 4.205 ( -0.108 0.549 -3.855) 3.895 4.362 ( -4.150 -0.119 1.497) 4.413 4.629 ( 10.456 5.453 -6.545) 13.487 5.024 ( -7.658 1.258 0.086) 7.761 5.179 ( 3.819 -0.621 -2.515) 4.615 5.438 ( -9.959 -0.006 1.735) 10.109 5.749 ( 8.560 4.410 -0.237) 9.632 6.113 ( -0.548 -0.839 -0.825) 1.298 6.202 ( 4.528 -0.468 -0.813) 4.624 6.493 ( -2.736 -2.501 1.179) 3.890 6.584 ( 2.816 -2.939 0.051) 4.071 7.018 ( -4.615 0.214 3.455) 5.769 7.218 ( 5.893 0.963 2.831) 6.608 7.515 ( -3.441 -6.356 11.892) 13.916 7.762 ( 8.722 -1.969 -7.183) 11.470 8.579 ( -9.070 -3.623 14.297) 17.315 9.061 ( 9.307 0.480 -16.037) 18.548 9.335 ( -2.395 1.929 -1.737) 3.532 9.412 ( 1.933 -2.459 -2.893) 4.261 19.060 ( -0.450 -0.320 -0.525) 0.762 19.076 ( 0.852 -1.453 0.388) 1.728 19.279 ( -0.469 0.119 1.804) 1.867 19.319 ( 1.221 0.324 -1.171) 1.722 21.511 ( -3.962 1.870 -0.594) 4.421 21.568 ( 0.088 0.366 0.540) 0.658 21.851 ( -2.345 4.109 1.378) 4.928 21.895 ( -0.316 1.798 -1.236) 2.205 24.446 ( -0.198 0.190 0.081) 0.286 24.450 ( -0.095 -0.060 0.159) 0.194 24.506 ( -0.744 0.070 -0.363) 0.830 24.530 ( 1.321 -0.087 1.121) 1.734 32.332 ( 0.003 -0.198 1.353) 1.367 32.358 ( 0.286 -0.467 -1.556) 1.649 32.424 ( -0.153 0.299 -0.002) 0.335 32.436 ( 0.297 -0.502 -0.571) 0.816 41.089 ( -5.400 0.291 2.157) 5.822 41.247 ( 1.769 -0.197 -4.138) 4.504 41.735 ( -26.864 8.563 -4.042) 28.484 42.559 ( 17.254 23.875 -11.145) 31.495 44.870 ( -3.802 -4.994 -3.054) 6.980 45.119 ( 14.290 -17.375 1.300) 22.534 45.425 ( -1.720 -1.181 0.385) 2.121 45.691 ( 15.143 -19.526 0.244) 24.711 ======================= Grid point 200 (96/129) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 2.341 -2.460 -5.495) 6.460 1.603 ( 3.125 -3.832 -3.227) 5.904 1.634 ( 5.940 -11.647 8.107) 15.383 1.813 ( -2.234 0.090 -2.060) 3.040 2.180 ( -0.158 2.525 -1.687) 3.041 2.223 ( 8.155 -7.944 -4.694) 12.314 2.314 ( 7.221 -12.885 3.554) 15.192 2.586 ( -1.585 6.066 4.045) 7.461 2.723 ( -0.560 -7.113 -6.534) 9.675 2.859 ( 6.878 -0.341 2.885) 7.467 2.965 ( 9.213 -8.548 0.758) 12.590 3.273 ( 13.399 -11.541 2.498) 17.860 3.449 ( -0.711 -11.794 -1.454) 11.905 3.668 ( 4.771 -6.494 6.386) 10.282 3.912 ( -3.275 -2.023 -0.354) 3.865 4.053 ( 0.195 -0.768 3.271) 3.366 4.136 ( 6.327 5.636 1.657) 8.634 4.272 ( 3.342 -10.548 0.191) 11.066 4.353 ( -0.774 -3.157 0.416) 3.277 4.598 ( 3.802 8.789 -7.822) 12.364 4.933 ( -4.430 -2.466 2.308) 5.571 5.211 ( 2.376 0.818 -2.962) 3.884 5.385 ( -2.320 -3.760 1.574) 4.690 5.742 ( 4.340 8.250 -2.452) 9.639 6.146 ( 1.738 -3.199 -0.674) 3.703 6.276 ( 4.632 -1.532 -2.378) 5.427 6.533 ( -0.052 -4.770 2.645) 5.455 6.646 ( 2.342 -1.282 -1.472) 3.049 6.986 ( -1.644 2.372 3.989) 4.924 7.239 ( -1.218 0.810 -0.683) 1.615 7.646 ( -4.780 -12.352 9.959) 16.571 7.916 ( 15.527 3.750 0.307) 15.976 8.620 ( -5.893 -6.862 13.693) 16.411 9.049 ( 0.241 1.473 -8.638) 8.766 9.283 ( 0.910 2.800 -0.831) 3.060 9.430 ( 0.689 -1.417 -9.009) 9.146 19.046 ( -0.856 0.009 -1.298) 1.555 19.123 ( 1.213 -2.298 1.292) 2.902 19.281 ( -0.229 0.379 1.709) 1.765 19.325 ( 1.096 0.636 -0.761) 1.479 21.412 ( -4.211 2.885 -0.098) 5.106 21.547 ( -1.943 1.183 -0.317) 2.297 21.759 ( -1.798 4.474 0.548) 4.853 21.871 ( 0.249 1.408 -0.269) 1.455 24.445 ( 0.298 0.127 0.064) 0.330 24.451 ( -0.194 -0.203 0.417) 0.503 24.493 ( -0.580 0.209 -0.363) 0.716 24.557 ( 1.308 0.024 1.258) 1.815 32.335 ( -0.199 0.229 0.116) 0.325 32.367 ( 0.488 -0.797 0.283) 0.976 32.409 ( -0.351 0.427 -1.578) 1.672 32.452 ( 0.232 -1.062 -0.223) 1.110 40.960 ( -10.618 5.352 -2.521) 12.155 41.173 ( -11.430 -2.682 -4.929) 12.733 41.398 ( 0.257 3.193 -4.571) 5.582 42.335 ( 4.493 22.237 -5.896) 23.440 44.861 ( -1.770 -2.192 -2.724) 3.919 45.408 ( -0.728 0.913 -0.296) 1.205 45.580 ( 10.339 -20.659 2.429) 23.229 46.224 ( 18.366 -21.708 -2.449) 28.541 ======================= Grid point 201 (97/129) ======================= q-point: ( 0.38 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -1.556 1.671 -4.433) 4.986 1.602 ( -1.753 0.512 -2.268) 2.912 1.798 ( -1.013 -2.697 -0.075) 2.882 1.871 ( 1.924 -7.441 5.364) 9.373 2.113 ( 1.166 5.692 -0.931) 5.884 2.383 ( 5.808 -0.666 -1.932) 6.157 2.515 ( 4.229 -5.813 -2.035) 7.471 2.550 ( 0.464 -0.869 5.519) 5.606 2.722 ( -5.727 -5.745 -5.869) 10.012 2.981 ( 9.083 0.920 1.294) 9.221 3.204 ( 5.413 -5.524 5.640) 9.572 3.432 ( -4.310 -6.838 -3.915) 8.981 3.674 ( 4.693 -9.349 1.234) 10.534 3.821 ( 2.513 -3.415 5.982) 7.333 3.904 ( 2.167 -0.797 -2.385) 3.320 4.039 ( -2.160 1.023 1.629) 2.893 4.205 ( 4.638 -0.009 0.385) 4.654 4.364 ( 5.160 4.424 0.236) 6.801 4.436 ( -0.126 -0.099 -3.453) 3.457 4.577 ( 2.687 -11.274 -1.180) 11.650 4.974 ( 1.311 -2.577 2.435) 3.780 5.222 ( 1.215 -1.473 0.626) 2.010 5.441 ( 1.103 -4.006 -0.601) 4.198 5.660 ( 2.359 8.897 -3.863) 9.982 6.234 ( 2.188 -4.520 1.822) 5.342 6.331 ( 2.073 -1.185 -1.171) 2.659 6.619 ( 3.073 -2.503 -1.052) 4.100 6.663 ( -0.208 0.467 -0.945) 1.074 6.944 ( 0.124 4.171 3.145) 5.225 7.195 ( -3.431 -1.457 -2.565) 4.524 7.792 ( -5.943 -14.852 6.236) 17.170 8.072 ( 15.025 8.290 4.274) 17.685 8.709 ( -3.382 -5.278 12.796) 14.249 8.963 ( -5.392 1.624 0.716) 5.677 9.269 ( 0.252 1.586 0.227) 1.622 9.371 ( 1.980 1.320 -16.751) 16.919 19.026 ( -0.678 0.168 -1.154) 1.349 19.173 ( 0.879 -1.760 1.172) 2.290 19.279 ( -0.352 0.389 1.270) 1.374 19.324 ( 0.537 0.877 -0.321) 1.077 21.343 ( -1.564 1.246 1.317) 2.394 21.482 ( -2.697 2.123 -1.559) 3.770 21.710 ( -0.138 1.747 0.532) 1.831 21.861 ( 0.365 0.675 -0.213) 0.796 24.450 ( 0.556 0.131 -0.020) 0.572 24.454 ( -0.292 -0.412 0.459) 0.682 24.481 ( -0.400 0.260 -0.353) 0.593 24.578 ( 0.813 0.070 1.005) 1.295 32.327 ( -0.271 0.267 -0.282) 0.473 32.387 ( -0.050 0.125 -2.228) 2.232 32.391 ( 0.378 -0.051 2.012) 2.048 32.463 ( -0.259 -1.087 -1.127) 1.587 40.700 ( -9.079 3.924 -7.317) 12.303 41.072 ( -5.576 -3.027 -3.506) 7.249 41.429 ( 4.216 -0.109 1.564) 4.498 42.111 ( 0.825 13.408 -3.572) 13.901 44.849 ( -0.378 -0.383 -2.292) 2.354 45.382 ( -1.627 0.060 -0.148) 1.635 45.918 ( 3.580 -12.270 3.899) 13.363 46.677 ( 14.443 -12.927 -4.634) 19.929 ======================= Grid point 202 (98/129) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -0.503 2.826 -0.437) 2.904 1.553 ( -0.459 2.941 -0.622) 3.041 1.808 ( -1.046 -0.748 1.976) 2.358 1.930 ( -0.877 5.192 6.128) 8.079 2.078 ( -1.126 -2.526 -1.319) 3.064 2.429 ( 2.254 -0.120 0.410) 2.294 2.551 ( -3.955 1.068 0.839) 4.181 2.639 ( 0.478 -2.226 -2.432) 3.331 2.674 ( -1.440 -4.604 -4.313) 6.470 3.082 ( 5.667 1.118 -0.179) 5.779 3.322 ( 2.969 -0.016 4.053) 5.025 3.402 ( -5.456 -3.465 -3.586) 7.392 3.749 ( -2.626 -1.497 2.143) 3.705 3.871 ( -1.031 0.662 2.407) 2.701 3.953 ( 1.834 -1.376 -2.813) 3.629 4.014 ( 2.785 2.885 0.477) 4.039 4.237 ( -0.353 -0.870 -0.172) 0.955 4.338 ( 0.629 1.782 -1.576) 2.461 4.435 ( -0.810 0.966 -0.035) 1.261 4.716 ( 0.090 -1.877 -0.028) 1.880 5.006 ( 1.050 0.124 -0.720) 1.279 5.304 ( 0.963 -4.440 3.281) 5.604 5.479 ( -0.198 0.220 -0.863) 0.912 5.544 ( -0.022 6.693 -2.826) 7.266 6.300 ( -1.039 -0.274 3.952) 4.096 6.356 ( 0.007 -0.105 -0.367) 0.382 6.591 ( -2.304 2.668 -0.828) 3.621 6.678 ( 2.123 -0.041 -0.937) 2.321 6.941 ( 1.853 1.103 1.481) 2.616 7.161 ( -1.994 -1.375 -1.885) 3.069 7.887 ( -3.557 -5.002 2.101) 6.488 8.194 ( 6.827 -1.553 -1.135) 7.092 8.787 ( 0.701 0.306 9.303) 9.335 8.892 ( -6.814 -1.148 12.271) 14.083 9.212 ( -3.563 -0.502 -7.826) 8.613 9.334 ( 7.651 2.546 -12.965) 15.268 19.013 ( -0.145 0.134 -0.624) 0.654 19.200 ( 0.164 -0.082 0.699) 0.723 19.280 ( 0.166 -0.347 0.493) 0.625 19.316 ( -0.151 0.598 0.314) 0.692 21.351 ( 1.261 -1.109 1.950) 2.573 21.421 ( -1.141 0.834 -2.255) 2.661 21.702 ( 0.094 0.003 0.308) 0.322 21.859 ( 0.236 -0.001 -0.342) 0.416 24.455 ( 0.206 0.099 -0.115) 0.256 24.457 ( -0.394 -0.545 0.388) 0.777 24.474 ( 0.222 0.285 -0.346) 0.501 24.589 ( 0.181 -0.177 0.470) 0.534 32.319 ( -0.219 0.238 0.068) 0.331 32.368 ( -0.416 0.358 -1.022) 1.160 32.414 ( 0.921 0.229 2.027) 2.238 32.459 ( -0.663 -0.582 -1.951) 2.141 40.540 ( -3.444 3.997 -0.800) 5.337 41.045 ( -1.491 -4.008 -4.121) 5.939 41.495 ( 2.163 -0.298 1.611) 2.713 41.987 ( -0.002 4.067 -0.998) 4.188 44.837 ( 0.497 0.626 -1.587) 1.777 45.363 ( -1.301 -0.331 0.658) 1.495 46.029 ( -4.679 -2.321 4.854) 7.131 46.891 ( 8.402 0.328 -9.179) 12.448 ======================= Grid point 203 (99/129) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.306 2.821 4.389) 5.226 1.517 ( 2.991 6.958 4.737) 8.933 1.808 ( -0.455 1.084 -0.665) 1.351 1.823 ( -3.311 8.883 7.450) 12.057 2.119 ( -0.968 -5.007 1.857) 5.427 2.359 ( -11.729 2.008 -4.365) 12.675 2.499 ( 0.591 -1.137 -0.684) 1.453 2.604 ( -2.670 1.859 2.516) 4.113 2.670 ( -0.911 5.489 -1.963) 5.901 3.101 ( -1.615 -1.481 -6.469) 6.830 3.313 ( -5.741 1.341 -5.999) 8.411 3.343 ( 1.347 5.943 4.262) 7.436 3.685 ( -5.924 4.011 1.000) 7.224 3.837 ( -2.938 0.972 3.169) 4.430 3.951 ( 0.406 1.860 -4.306) 4.708 4.042 ( 6.323 3.059 0.447) 7.039 4.220 ( -3.229 0.073 -0.870) 3.345 4.340 ( -3.601 -5.580 0.728) 6.681 4.371 ( -2.964 2.870 2.239) 4.694 4.597 ( -4.571 11.368 -1.972) 12.410 5.021 ( 0.539 -0.760 -1.865) 2.084 5.273 ( -1.551 7.275 -3.962) 8.428 5.442 ( 0.558 2.420 -0.243) 2.495 5.543 ( -2.228 -5.882 6.178) 8.816 6.249 ( -3.899 4.097 2.627) 6.236 6.303 ( -2.640 3.711 -0.746) 4.615 6.562 ( -0.732 0.143 2.896) 2.991 6.678 ( 0.607 3.025 -1.016) 3.248 6.984 ( 1.845 -3.574 -0.092) 4.023 7.153 ( 0.436 0.251 0.370) 0.625 7.845 ( -2.088 5.052 0.576) 5.497 8.235 ( -6.902 -7.592 -10.472) 14.660 8.787 ( -2.667 1.887 6.845) 7.585 8.967 ( -0.542 -2.160 11.541) 11.754 9.161 ( 3.814 -1.046 -7.406) 8.396 9.350 ( 6.235 2.222 -8.242) 10.571 19.013 ( 0.440 0.004 0.060) 0.444 19.188 ( -0.441 1.634 -0.061) 1.693 19.296 ( 0.363 -0.720 -0.199) 0.831 19.311 ( -0.465 -0.208 0.863) 1.002 21.386 ( 1.018 -1.081 -2.354) 2.784 21.440 ( 2.810 -2.512 1.858) 4.202 21.714 ( 0.147 -1.465 0.169) 1.482 21.864 ( 0.161 -0.747 -0.596) 0.970 24.451 ( -0.372 -0.050 -0.163) 0.410 24.461 ( -0.188 -0.418 0.066) 0.463 24.476 ( 0.704 0.192 -0.172) 0.749 24.592 ( -0.560 -0.562 -0.271) 0.839 32.317 ( 0.032 0.088 0.630) 0.637 32.357 ( -0.332 0.271 0.379) 0.572 32.429 ( 0.593 1.115 1.507) 1.966 32.442 ( -0.383 -0.414 -2.129) 2.202 40.505 ( 4.360 3.768 9.344) 10.978 41.084 ( 1.567 -4.777 -4.216) 6.561 41.488 ( -1.236 2.069 -2.678) 3.603 42.010 ( 0.064 -5.923 4.674) 7.546 44.831 ( 1.210 1.348 -0.678) 1.935 45.362 ( -0.527 -0.605 1.636) 1.822 45.903 ( -11.886 6.810 4.639) 14.463 46.795 ( 0.855 15.123 -14.796) 21.174 ======================= Grid point 204 (100/129) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -5.166 5.466 8.469) 11.327 1.491 ( 2.999 10.988 9.427) 14.785 1.681 ( -3.474 7.522 2.240) 8.583 1.799 ( 1.038 1.782 -0.996) 2.290 2.069 ( -12.642 8.760 2.893) 15.650 2.227 ( 0.455 -6.891 -1.418) 7.051 2.378 ( -7.573 15.619 -0.083) 17.358 2.533 ( -4.872 4.829 6.358) 9.353 2.618 ( 1.143 -3.523 0.071) 3.704 2.952 ( -10.816 7.239 -4.438) 13.751 3.142 ( -5.904 1.400 -13.058) 14.399 3.238 ( -4.878 11.176 3.767) 12.763 3.489 ( -8.714 4.792 -3.088) 10.413 3.779 ( -5.296 3.842 -0.453) 6.559 3.899 ( 2.743 2.135 -1.903) 3.963 4.112 ( 4.483 2.235 -1.186) 5.148 4.141 ( -4.586 -0.826 0.051) 4.660 4.312 ( -4.391 2.558 -0.832) 5.149 4.362 ( -1.143 2.245 -1.432) 2.897 4.440 ( -0.120 -2.486 5.436) 5.979 5.003 ( 2.024 2.643 -4.136) 5.309 5.167 ( -2.084 2.320 0.733) 3.203 5.422 ( 3.923 3.684 -2.168) 5.802 5.639 ( -4.048 -8.812 7.114) 12.027 6.149 ( -1.541 4.524 -0.580) 4.814 6.222 ( -3.638 1.926 2.151) 4.645 6.556 ( 1.109 3.939 1.028) 4.220 6.621 ( -1.554 2.750 0.444) 3.189 7.049 ( 0.051 -3.426 -2.030) 3.983 7.187 ( 2.730 -0.814 3.457) 4.480 7.736 ( -3.861 4.628 0.360) 6.038 8.070 ( -15.398 -1.486 -12.860) 20.117 8.763 ( -5.320 0.307 10.199) 11.507 8.948 ( 2.210 4.541 -8.205) 9.635 9.268 ( 5.232 -2.125 -0.052) 5.647 9.373 ( 5.441 1.554 -2.687) 6.264 19.024 ( 0.735 -0.130 0.626) 0.974 19.149 ( -0.752 2.523 -0.890) 2.779 19.297 ( -1.034 -0.340 0.942) 1.439 19.318 ( 0.012 -0.569 -0.733) 0.929 21.424 ( 2.888 -2.281 -1.340) 3.916 21.526 ( 2.591 -1.931 1.582) 3.597 21.755 ( 1.035 -3.495 0.853) 3.743 21.880 ( 0.504 -1.785 -1.140) 2.177 24.446 ( -0.265 -0.063 -0.112) 0.294 24.463 ( -0.062 -0.290 -0.514) 0.593 24.485 ( 0.623 -0.007 0.255) 0.673 24.582 ( -1.534 -0.609 -1.044) 1.953 32.324 ( 0.382 0.061 0.671) 0.774 32.355 ( -0.275 -0.055 1.352) 1.381 32.411 ( -0.226 1.116 -0.789) 1.385 32.447 ( 0.661 -0.027 -0.305) 0.728 40.747 ( 21.819 -3.575 17.515) 28.207 41.154 ( 3.541 -3.386 -3.380) 5.952 41.399 ( -3.530 2.256 -4.071) 5.842 42.160 ( -2.624 -12.385 9.410) 15.774 44.829 ( 2.000 2.258 0.137) 3.019 45.379 ( 0.490 -0.369 2.246) 2.329 45.585 ( -15.802 12.951 1.739) 20.505 46.373 ( -8.577 27.043 -16.041) 32.592 ======================= Grid point 205 (101/129) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -7.429 7.461 12.839) 16.604 1.368 ( -5.175 15.274 9.520) 18.727 1.529 ( -5.535 5.633 -4.016) 8.859 1.626 ( -12.389 14.529 0.759) 19.109 1.882 ( 0.679 2.962 3.044) 4.301 2.080 ( -1.621 11.451 -1.426) 11.653 2.343 ( 2.135 -6.512 -1.918) 7.117 2.473 ( -2.757 2.799 8.501) 9.365 2.587 ( -8.647 5.282 2.389) 10.410 2.762 ( 0.844 -0.889 -0.476) 1.315 2.985 ( -5.527 1.595 -7.663) 9.582 2.999 ( -8.544 7.259 0.305) 11.215 3.365 ( -1.715 0.125 -4.525) 4.841 3.614 ( -5.994 4.484 -5.568) 9.329 3.893 ( 0.032 3.998 0.526) 4.033 4.038 ( -5.404 3.033 -4.801) 7.839 4.121 ( -0.605 0.778 3.710) 3.839 4.239 ( 1.417 0.266 -4.590) 4.811 4.405 ( 5.857 -2.768 -2.563) 6.967 4.497 ( -5.277 -3.531 5.884) 8.656 5.029 ( 7.482 1.318 -0.691) 7.629 5.136 ( -2.427 -0.898 1.166) 2.838 5.460 ( 8.728 2.280 -0.666) 9.046 5.697 ( -7.256 -6.074 4.358) 10.418 6.105 ( 1.616 1.595 -0.529) 2.331 6.178 ( -2.774 -0.715 1.654) 3.308 6.507 ( 2.283 5.982 -0.157) 6.405 6.579 ( -2.702 0.622 0.801) 2.886 7.065 ( 0.976 -0.707 -1.285) 1.761 7.245 ( -2.271 -2.443 1.227) 3.554 7.609 ( -15.260 -1.052 3.765) 15.753 7.761 ( -4.372 9.080 -9.011) 13.519 8.716 ( -10.105 0.506 14.151) 17.396 8.912 ( 10.266 3.488 -14.785) 18.335 9.322 ( 3.291 0.588 -1.201) 3.552 9.420 ( 2.070 -0.245 -1.968) 2.867 19.040 ( 0.551 -0.131 0.846) 1.018 19.099 ( -0.834 2.042 -1.241) 2.531 19.289 ( -1.299 -0.081 1.447) 1.947 19.315 ( -0.069 -0.313 -1.404) 1.441 21.499 ( 3.540 -1.615 0.315) 3.904 21.569 ( 0.424 -0.712 0.479) 0.957 21.834 ( 1.555 -3.383 2.141) 4.294 21.912 ( 1.035 -2.345 -1.974) 3.235 24.445 ( -0.010 -0.048 0.027) 0.056 24.462 ( -0.101 -0.236 -0.807) 0.847 24.496 ( 0.546 -0.010 0.556) 0.779 24.554 ( -2.122 -0.168 -1.080) 2.387 32.326 ( -0.272 0.393 0.972) 1.084 32.362 ( 0.310 -0.129 -0.663) 0.743 32.400 ( 0.319 0.486 1.027) 1.180 32.451 ( 0.273 -0.071 -1.103) 1.139 41.163 ( 4.332 -3.912 -2.776) 6.463 41.249 ( 2.110 3.206 -5.135) 6.412 41.553 ( 38.098 -13.514 13.354) 42.573 42.297 ( -11.155 -11.507 12.649) 20.417 44.830 ( 2.641 2.956 0.485) 3.993 45.181 ( -12.263 14.949 -3.663) 19.679 45.406 ( -0.118 -1.335 2.025) 2.429 45.769 ( -14.577 24.444 -7.588) 29.455 ======================= Grid point 207 (102/129) ======================= q-point: ( 0.12 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 6.517 -0.000 -1.308) 6.647 1.445 ( 8.254 -0.000 -2.079) 8.512 1.612 ( 18.385 -0.000 -0.888) 18.406 1.872 ( 12.031 -0.000 -4.934) 13.004 1.978 ( 9.513 -0.000 -8.350) 12.658 2.033 ( 9.441 -0.000 3.784) 10.171 2.357 ( 5.533 -0.000 4.406) 7.073 2.543 ( 4.106 -0.000 0.023) 4.107 2.744 ( 3.422 -0.000 5.319) 6.325 2.766 ( 4.053 -0.000 -7.700) 8.701 2.968 ( 6.041 -0.000 5.983) 8.503 3.075 ( 12.389 -0.000 1.771) 12.515 3.253 ( -2.311 0.000 1.102) 2.561 3.577 ( 5.041 -0.000 6.014) 7.847 3.834 ( -4.362 0.000 1.358) 4.569 4.023 ( 7.077 -0.000 4.357) 8.310 4.172 ( 1.304 -0.000 3.288) 3.538 4.209 ( 2.541 -0.000 -3.885) 4.642 4.315 ( -2.525 0.000 2.535) 3.578 4.758 ( 4.316 -0.000 -10.426) 11.284 4.903 ( -5.739 0.000 0.641) 5.775 5.215 ( 4.177 -0.000 -1.910) 4.593 5.324 ( -5.215 0.000 0.277) 5.223 5.900 ( 6.954 -0.000 -1.848) 7.196 6.095 ( 0.614 -0.000 -1.869) 1.967 6.253 ( 3.966 -0.000 -1.687) 4.310 6.433 ( -2.415 0.000 -0.122) 2.418 6.614 ( 3.173 -0.000 0.600) 3.230 7.014 ( 0.189 -0.000 4.626) 4.630 7.272 ( -1.950 0.000 0.007) 1.950 7.463 ( -5.284 0.000 10.455) 11.714 7.972 ( 21.610 -0.000 2.637) 21.770 8.513 ( -6.675 0.000 14.352) 15.828 9.069 ( 0.966 -0.000 -10.613) 10.657 9.352 ( 6.608 -0.000 -8.897) 11.082 9.392 ( -1.288 0.000 -0.532) 1.394 19.056 ( -0.055 0.000 -1.143) 1.144 19.079 ( 1.159 -0.000 1.081) 1.585 19.286 ( -0.224 0.000 2.096) 2.107 19.333 ( 1.261 -0.000 -1.343) 1.842 21.461 ( -4.273 0.000 -0.478) 4.299 21.557 ( -1.852 0.000 0.200) 1.863 21.849 ( -4.013 0.000 2.285) 4.618 21.863 ( -2.682 0.000 -2.200) 3.469 24.446 ( -0.458 0.000 0.603) 0.757 24.448 ( 0.224 -0.000 -0.037) 0.227 24.497 ( -0.465 0.000 -0.350) 0.581 24.558 ( 1.473 -0.000 1.605) 2.178 32.345 ( 0.774 -0.000 1.544) 1.727 32.348 ( 0.117 -0.000 -1.444) 1.449 32.420 ( -0.116 0.000 -1.867) 1.871 32.430 ( -0.497 0.000 0.433) 0.659 41.042 ( -4.481 0.000 5.032) 6.738 41.131 ( -17.269 0.000 -9.702) 19.808 41.456 ( -7.170 0.000 -6.478) 9.664 42.736 ( -1.600 0.000 -17.028) 17.103 44.760 ( -4.496 0.000 -0.450) 4.518 45.052 ( 0.345 -0.000 2.415) 2.440 45.728 ( 16.484 -0.000 5.924) 17.516 45.806 ( 32.018 -0.000 -6.146) 32.603 ======================= Grid point 208 (103/129) ======================= q-point: ( 0.25 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 0.528 0.410 -5.914) 5.952 1.525 ( 1.013 -5.311 -7.849) 9.532 1.804 ( 12.183 4.805 2.237) 13.286 1.880 ( 5.199 5.328 -1.280) 7.554 2.224 ( 14.885 -7.113 -3.880) 16.948 2.302 ( 9.234 -8.013 4.515) 13.033 2.378 ( 7.597 11.495 1.162) 13.828 2.632 ( 1.704 -3.677 -5.989) 7.231 2.734 ( 3.674 9.304 0.227) 10.005 2.924 ( 10.434 -10.160 3.236) 14.919 3.093 ( 9.525 5.138 8.668) 13.866 3.231 ( -0.071 -6.995 -4.074) 8.095 3.426 ( 12.599 -8.458 6.659) 16.572 3.694 ( 2.647 -4.083 8.371) 9.683 3.823 ( -0.653 -4.414 -0.150) 4.465 4.098 ( -0.905 4.589 -0.488) 4.702 4.197 ( 3.196 -5.573 -1.049) 6.510 4.287 ( 7.025 -1.885 2.117) 7.575 4.330 ( 1.093 -2.166 1.859) 3.056 4.633 ( -3.642 4.153 -6.891) 8.831 4.937 ( 5.912 0.811 -0.083) 5.968 5.245 ( 1.703 2.115 -2.564) 3.734 5.328 ( 2.404 -4.435 0.093) 5.046 5.889 ( 2.518 7.852 -4.241) 9.273 6.125 ( 2.014 -2.905 -1.488) 3.835 6.310 ( 4.098 -0.153 -2.322) 4.712 6.460 ( 0.552 -7.118 0.131) 7.140 6.662 ( 2.730 -0.508 -1.587) 3.199 7.043 ( 1.196 2.441 4.883) 5.589 7.191 ( -5.099 0.913 -2.603) 5.797 7.485 ( -5.852 -6.858 9.109) 12.816 8.275 ( 17.011 4.265 6.161) 18.589 8.570 ( 0.547 -3.122 17.657) 17.940 8.998 ( -3.860 0.835 -3.814) 5.490 9.336 ( -2.302 1.949 -2.496) 3.915 9.418 ( 9.661 1.520 -12.749) 16.068 19.042 ( 0.090 0.925 -1.085) 1.429 19.119 ( 1.471 -1.884 0.995) 2.589 19.290 ( -0.622 0.289 1.826) 1.950 19.339 ( 0.689 0.249 -1.226) 1.428 21.392 ( -3.163 1.811 0.636) 3.700 21.520 ( -2.940 0.453 -0.633) 3.042 21.761 ( -4.304 2.568 0.518) 5.039 21.836 ( -3.471 -2.375 -0.491) 4.234 24.443 ( -0.624 -0.252 0.691) 0.965 24.453 ( 0.519 0.056 -0.082) 0.529 24.488 ( -0.353 0.178 -0.299) 0.495 24.583 ( 0.904 0.226 1.544) 1.803 32.339 ( 0.135 0.580 -0.794) 0.992 32.373 ( 1.083 -0.688 0.645) 1.437 32.402 ( -0.403 0.555 -0.982) 1.198 32.429 ( -0.685 -1.194 -0.644) 1.520 40.775 ( -14.029 1.632 -14.927) 20.550 41.022 ( -4.423 -0.866 5.517) 7.124 41.429 ( 2.618 0.056 -1.796) 3.175 42.485 ( -7.251 11.311 -12.390) 18.276 44.731 ( -5.717 -6.280 -1.050) 8.557 45.104 ( -6.904 -10.663 2.286) 12.907 45.967 ( 23.427 8.444 6.424) 25.718 46.354 ( 31.740 -10.621 -7.583) 34.318 ======================= Grid point 209 (104/129) ======================= q-point: ( 0.38 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.090 0.379 -5.093) 5.108 1.539 ( 0.015 -4.253 -8.491) 9.497 1.874 ( 6.016 4.881 2.645) 8.186 1.933 ( 8.151 3.581 2.356) 9.209 2.298 ( 3.849 9.625 -4.001) 11.111 2.488 ( 11.386 -2.659 -0.040) 11.692 2.510 ( 2.985 -4.844 6.936) 8.971 2.621 ( 0.725 3.831 0.630) 3.950 2.668 ( 3.878 7.958 -1.860) 9.046 3.110 ( 2.127 0.108 0.353) 2.158 3.245 ( 5.085 -5.993 7.007) 10.530 3.295 ( 3.663 -1.450 -0.162) 3.943 3.639 ( 0.612 -4.568 3.100) 5.554 3.864 ( 5.087 -3.480 6.425) 8.904 3.898 ( 2.772 -4.420 -2.042) 5.603 3.996 ( -1.548 3.036 -3.595) 4.954 4.254 ( -0.161 -0.063 -1.448) 1.458 4.406 ( 3.823 -2.573 -0.193) 4.612 4.448 ( -1.215 -4.881 -2.605) 5.664 4.605 ( 13.705 2.069 2.232) 14.039 5.023 ( 5.507 -0.139 1.565) 5.726 5.224 ( 0.717 0.501 -2.053) 2.232 5.430 ( 3.970 -2.672 -0.265) 4.793 5.768 ( -0.038 8.480 -6.503) 10.686 6.218 ( 3.360 -4.981 1.077) 6.104 6.329 ( -0.088 -0.280 -0.131) 0.322 6.594 ( 3.297 -6.831 -1.621) 7.756 6.667 ( 0.687 2.032 -3.391) 4.012 6.996 ( -3.226 3.566 0.218) 4.814 7.146 ( 0.057 -0.324 1.167) 1.213 7.561 ( -5.513 -10.237 7.589) 13.884 8.398 ( 5.668 4.490 4.104) 8.314 8.756 ( 8.233 1.543 17.778) 19.653 8.913 ( -5.170 1.234 2.580) 5.908 9.233 ( -4.171 2.246 -7.036) 8.482 9.459 ( 11.728 5.270 -12.526) 17.950 19.028 ( 0.565 0.996 -0.826) 1.412 19.170 ( 1.328 -1.809 0.720) 2.357 19.282 ( -0.943 0.297 1.180) 1.540 19.332 ( -0.214 0.439 -0.921) 1.043 21.350 ( -0.707 0.926 1.955) 2.276 21.456 ( -2.976 1.432 -1.671) 3.701 21.691 ( -3.653 -0.297 0.387) 3.685 21.817 ( -3.621 -3.034 -0.472) 4.748 24.442 ( -0.726 -0.475 0.685) 1.105 24.457 ( 0.251 0.079 -0.276) 0.381 24.482 ( 0.183 0.263 -0.157) 0.357 24.593 ( 0.096 0.356 0.905) 0.978 32.330 ( 0.182 0.571 -0.437) 0.741 32.374 ( -0.345 0.167 -1.766) 1.808 32.413 ( 1.042 -0.298 2.232) 2.482 32.431 ( -0.674 -1.321 -1.421) 2.054 40.583 ( -2.696 -0.462 -10.100) 10.464 40.998 ( -3.258 0.269 5.362) 6.279 41.470 ( 2.124 -1.112 0.282) 2.414 42.184 ( -6.839 9.315 -8.698) 14.464 44.732 ( -5.623 -7.381 -1.591) 9.414 45.137 ( -10.097 -11.646 1.907) 15.531 46.199 ( 19.246 11.152 8.373) 23.767 46.836 ( 26.760 -4.450 -10.096) 28.945 ======================= Grid point 210 (105/129) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 3.090 1.041 -1.709) 3.681 1.572 ( 3.409 -2.349 -4.320) 5.983 1.910 ( 6.223 5.816 3.960) 9.394 2.010 ( 6.193 1.865 1.569) 6.655 2.183 ( 1.058 11.484 -0.532) 11.545 2.505 ( -3.776 7.401 -0.444) 8.320 2.550 ( -1.047 1.468 2.878) 3.396 2.611 ( 1.047 1.346 3.212) 3.636 2.738 ( 11.442 1.675 2.096) 11.753 3.093 ( -2.581 -1.344 -7.590) 8.129 3.329 ( 2.358 3.399 -0.224) 4.143 3.396 ( 3.925 -1.660 5.904) 7.281 3.674 ( -4.504 -4.920 3.147) 7.375 3.905 ( 0.669 3.673 2.313) 4.392 3.973 ( 1.774 -0.395 -2.601) 3.173 3.989 ( 2.169 -2.791 -2.521) 4.342 4.212 ( -3.199 1.127 0.101) 3.393 4.408 ( 1.589 4.555 -1.926) 5.195 4.453 ( 0.480 2.358 0.483) 2.454 4.791 ( 8.189 2.924 0.820) 8.734 5.062 ( 3.259 3.859 -1.792) 5.359 5.272 ( 0.961 -4.864 3.285) 5.948 5.491 ( 2.181 0.123 -0.554) 2.254 5.602 ( -2.568 8.366 -7.002) 11.208 6.303 ( -1.496 0.234 3.492) 3.806 6.342 ( 1.117 -2.542 0.190) 2.783 6.587 ( -2.849 3.477 -0.861) 4.577 6.683 ( 1.869 -2.404 -3.141) 4.375 6.928 ( -1.669 -0.520 -2.284) 2.876 7.170 ( 0.418 0.175 3.349) 3.380 7.662 ( -4.408 -10.157 4.658) 12.012 8.370 ( -0.031 7.822 -0.163) 7.824 8.835 ( -2.880 1.303 3.024) 4.374 8.959 ( 7.903 3.452 18.458) 20.373 9.120 ( -2.178 -0.823 -9.309) 9.596 9.486 ( 12.178 6.929 -11.703) 18.256 19.026 ( 1.221 0.931 -0.263) 1.558 19.204 ( 0.594 -0.503 0.215) 0.808 19.276 ( -0.310 -0.509 0.423) 0.731 19.313 ( -1.081 0.282 -0.374) 1.178 21.367 ( 1.176 -0.588 1.106) 1.717 21.401 ( -0.864 -0.007 -0.993) 1.316 21.661 ( -3.410 -2.405 0.052) 4.173 21.805 ( -3.804 -3.659 -0.552) 5.307 24.442 ( -0.723 -0.566 0.513) 1.051 24.455 ( -0.227 -0.016 -0.263) 0.348 24.485 ( 0.784 0.342 -0.137) 0.866 24.589 ( -0.570 0.209 0.174) 0.631 32.325 ( 0.302 0.496 0.160) 0.602 32.361 ( -0.256 0.088 -0.510) 0.577 32.428 ( -0.454 -0.807 -1.771) 1.998 32.441 ( 0.742 -0.062 1.904) 2.044 40.570 ( 3.929 0.207 -0.909) 4.038 40.996 ( -0.706 -1.021 4.428) 4.599 41.503 ( 0.124 -0.833 -1.095) 1.382 41.973 ( -5.694 2.890 -5.227) 8.252 44.746 ( -4.352 -7.052 -1.263) 8.383 45.144 ( -10.892 -11.406 1.730) 15.865 46.288 ( 12.006 17.880 10.214) 23.836 47.092 ( 19.393 6.762 -14.871) 25.357 ======================= Grid point 211 (106/129) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 4.774 3.160 2.445) 6.225 1.629 ( 4.077 0.917 -1.129) 4.328 1.937 ( 6.575 7.443 2.014) 10.133 2.029 ( 0.951 13.029 6.346) 14.524 2.100 ( 4.794 -0.088 1.415) 4.999 2.306 ( -6.344 9.757 -0.855) 11.670 2.536 ( -1.642 1.086 2.450) 3.142 2.611 ( 1.742 2.360 1.624) 3.353 2.843 ( 8.083 8.886 5.365) 13.156 2.981 ( -4.488 0.597 -14.371) 15.067 3.251 ( -3.529 6.909 -1.642) 7.930 3.476 ( 3.091 3.639 5.272) 7.113 3.665 ( -5.272 2.157 3.110) 6.490 3.843 ( -3.430 2.263 0.553) 4.147 3.926 ( -2.359 3.459 -3.328) 5.348 4.022 ( -0.806 -3.051 -4.931) 5.854 4.201 ( -0.142 -3.131 4.188) 5.231 4.319 ( -1.395 7.755 -2.146) 8.166 4.421 ( 1.798 4.892 2.507) 5.784 4.723 ( -0.997 12.836 -1.529) 12.965 5.043 ( 1.933 2.749 -1.841) 3.831 5.321 ( 0.257 4.519 -3.311) 5.608 5.454 ( -4.433 -2.602 2.102) 5.553 5.498 ( 1.695 2.485 -0.733) 3.096 6.250 ( -4.462 2.471 3.896) 6.418 6.329 ( -0.303 5.276 -2.870) 6.014 6.548 ( -1.741 -1.778 2.922) 3.838 6.690 ( -0.462 0.122 -3.119) 3.155 6.951 ( 2.639 -3.225 -1.795) 4.537 7.177 ( -2.552 -0.639 4.051) 4.830 7.715 ( -4.580 -3.772 3.789) 7.039 8.213 ( -2.621 9.410 -6.396) 11.676 8.796 ( -4.717 1.608 9.546) 10.769 9.023 ( 3.361 2.471 -6.160) 7.440 9.187 ( 5.634 -3.150 6.969) 9.499 9.500 ( 11.075 7.479 -10.934) 17.267 19.036 ( 1.707 0.906 0.408) 1.975 19.200 ( -0.330 1.152 -0.600) 1.341 19.284 ( -0.574 -0.698 -0.289) 0.948 19.298 ( -0.753 -0.701 0.292) 1.069 21.376 ( 1.414 -1.086 -1.878) 2.590 21.458 ( 2.941 -2.833 2.235) 4.655 21.654 ( -3.012 -4.042 -0.279) 5.049 21.798 ( -3.824 -4.349 -0.734) 5.838 24.441 ( -0.463 -0.419 0.114) 0.635 24.451 ( -0.436 -0.314 -0.021) 0.538 24.492 ( 0.916 0.406 -0.085) 1.005 24.574 ( -1.137 0.031 -0.383) 1.200 32.330 ( 0.901 0.362 0.625) 1.154 32.357 ( -0.437 0.070 0.809) 0.922 32.421 ( 0.006 -0.257 -2.120) 2.136 32.454 ( 0.059 0.339 1.491) 1.530 40.690 ( 10.739 -1.297 7.680) 13.266 41.060 ( 2.390 -3.096 4.600) 6.038 41.460 ( -2.532 1.897 -5.901) 6.696 41.899 ( -5.713 -5.909 -0.327) 8.226 44.781 ( -1.698 -5.901 -0.417) 6.155 45.140 ( -11.401 -11.150 1.269) 15.997 46.192 ( 6.290 25.570 11.870) 28.884 47.034 ( 10.316 20.584 -20.877) 31.080 ======================= Grid point 212 (107/129) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 3.519 9.056 5.545) 11.187 1.620 ( 0.223 4.705 -1.917) 5.086 1.868 ( 0.615 13.187 4.824) 14.055 1.968 ( 7.064 11.334 2.432) 13.575 2.063 ( -8.087 8.419 6.497) 13.360 2.230 ( 9.234 0.256 -1.496) 9.358 2.473 ( -3.787 3.852 1.095) 5.512 2.614 ( -0.476 8.030 1.498) 8.183 2.734 ( 3.657 13.056 -0.370) 13.564 2.877 ( -2.411 5.216 -2.064) 6.106 3.039 ( -5.538 7.499 -8.113) 12.358 3.303 ( -11.097 16.068 -0.444) 19.532 3.508 ( -2.386 9.413 5.548) 11.184 3.787 ( -4.087 8.113 -0.887) 9.127 3.889 ( 1.790 -7.216 -1.145) 7.522 4.012 ( -3.236 -4.145 -3.548) 6.343 4.207 ( 0.321 5.195 -1.740) 5.488 4.270 ( -1.397 -2.968 1.777) 3.731 4.392 ( 1.008 5.165 2.800) 5.961 4.519 ( -0.479 10.583 -2.693) 10.930 5.040 ( 2.195 0.407 -0.094) 2.234 5.199 ( -1.015 5.668 -3.913) 6.961 5.500 ( -2.614 -3.855 4.277) 6.324 5.511 ( 2.588 -2.092 -0.389) 3.350 6.178 ( -2.864 2.724 2.815) 4.852 6.229 ( -0.369 5.336 -2.563) 5.931 6.564 ( -2.262 -1.351 3.252) 4.185 6.649 ( 0.306 2.470 -3.825) 4.563 7.030 ( 3.210 -2.029 -0.231) 3.804 7.161 ( -5.743 -3.182 2.776) 7.128 7.673 ( -3.862 4.541 7.066) 9.245 8.008 ( -2.581 9.088 -9.814) 13.622 8.754 ( -6.530 2.225 13.244) 14.933 9.006 ( 5.379 2.279 -11.327) 12.744 9.313 ( 2.893 -1.552 3.463) 4.772 9.485 ( 6.884 6.383 -9.064) 13.050 19.053 ( 1.778 1.020 1.003) 2.283 19.160 ( -1.279 2.116 -1.603) 2.947 19.281 ( -0.793 -0.595 0.725) 1.228 19.301 ( -0.477 -0.735 -0.598) 1.061 21.436 ( 3.968 -2.692 -0.256) 4.802 21.531 ( 0.297 -2.088 1.103) 2.380 21.697 ( 0.001 -6.291 0.690) 6.329 21.805 ( -3.037 -5.396 -1.315) 6.331 24.442 ( -0.020 -0.237 -0.113) 0.264 24.450 ( -0.557 -0.522 -0.004) 0.763 24.500 ( 0.916 0.358 0.200) 1.003 24.551 ( -1.544 0.069 -0.636) 1.671 32.341 ( 0.485 0.658 0.529) 0.974 32.358 ( 0.221 -0.149 0.982) 1.017 32.414 ( 0.434 0.366 -0.991) 1.142 32.451 ( -0.480 0.166 0.231) 0.558 41.002 ( 13.918 -8.122 3.594) 16.510 41.223 ( 9.981 -7.588 12.679) 17.832 41.344 ( -1.842 3.563 -7.240) 8.277 41.924 ( -9.664 -12.866 1.407) 16.153 44.850 ( 2.751 -3.622 0.643) 4.594 45.112 ( -11.817 -9.097 -0.132) 14.914 45.960 ( 4.148 30.124 12.402) 32.840 46.632 ( 0.748 33.970 -23.649) 41.398 ======================= Grid point 213 (108/129) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 5.255 12.444 6.879) 15.159 1.492 ( -2.237 9.501 -3.570) 10.393 1.634 ( -9.164 20.709 10.583) 24.997 1.829 ( 6.542 15.937 -6.338) 18.356 2.004 ( 3.836 8.059 8.830) 12.555 2.212 ( -1.948 13.549 -8.775) 16.260 2.411 ( -3.527 2.865 2.775) 5.324 2.435 ( 5.669 5.312 -0.423) 7.780 2.638 ( -3.225 7.393 6.088) 10.106 2.821 ( 6.106 1.214 -1.560) 6.418 2.926 ( 0.466 5.378 -4.771) 7.205 2.963 ( -7.536 7.290 -0.863) 10.521 3.427 ( 2.123 7.573 7.200) 10.663 3.599 ( -3.467 8.424 -6.072) 10.948 3.947 ( 0.862 2.042 0.726) 2.332 3.996 ( -1.758 1.221 -3.466) 4.073 4.142 ( -2.974 1.821 4.436) 5.642 4.248 ( 1.120 3.189 -4.895) 5.949 4.386 ( -2.122 -2.619 3.413) 4.797 4.470 ( 5.265 -1.171 -4.161) 6.812 5.077 ( -2.369 -1.500 2.242) 3.590 5.140 ( 3.771 1.647 -3.364) 5.315 5.523 ( -7.263 -4.642 4.843) 9.887 5.592 ( 6.988 -2.045 -1.792) 7.498 6.136 ( -1.504 0.968 1.586) 2.391 6.173 ( 2.621 3.151 -1.963) 4.544 6.546 ( -2.893 0.774 2.599) 3.965 6.604 ( 1.854 3.728 -2.694) 4.960 7.075 ( -3.873 -1.660 3.862) 5.716 7.132 ( 0.471 -0.957 -1.183) 1.593 7.589 ( -2.486 8.217 11.260) 14.159 7.820 ( 0.267 7.599 -9.873) 12.461 8.683 ( -8.602 3.671 14.513) 17.266 9.010 ( 8.925 1.511 -14.563) 17.147 9.352 ( -1.210 -0.975 1.418) 2.104 9.443 ( 3.145 3.936 -7.041) 8.658 19.067 ( 1.263 1.295 1.334) 2.247 19.102 ( -1.313 1.865 -1.818) 2.917 19.280 ( -0.920 -0.131 1.339) 1.630 19.305 ( 0.491 -0.680 -0.951) 1.268 21.526 ( 2.072 -1.987 0.796) 2.979 21.539 ( -1.757 -1.964 -0.314) 2.654 21.795 ( -0.239 -5.856 2.446) 6.351 21.846 ( 0.100 -5.761 -2.340) 6.219 24.445 ( 0.099 -0.103 0.077) 0.162 24.449 ( -0.349 -0.479 -0.194) 0.623 24.512 ( 0.955 0.258 0.621) 1.168 24.525 ( -1.375 0.132 -0.518) 1.475 32.334 ( -0.439 0.646 1.220) 1.449 32.366 ( 0.709 0.392 -1.387) 1.606 32.417 ( 0.498 0.312 1.201) 1.337 32.443 ( -0.233 -0.097 -1.133) 1.160 41.143 ( -1.497 -1.203 1.358) 2.352 41.239 ( 0.605 0.187 -7.426) 7.453 41.838 ( 19.163 -23.662 9.082) 31.774 41.937 ( -8.690 -16.681 -0.736) 18.824 44.964 ( 7.791 0.719 2.233) 8.137 45.026 ( -6.835 -1.806 -3.096) 7.717 45.708 ( 1.838 24.698 10.493) 26.897 45.998 ( -1.972 38.678 -17.906) 42.667 ======================= Grid point 216 (109/129) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.100 -0.000 -6.275) 6.275 1.443 ( 0.994 -0.000 -10.277) 10.325 1.991 ( 6.259 -0.000 2.227) 6.644 2.038 ( 10.421 -0.000 4.217) 11.242 2.302 ( 6.574 -0.000 -6.517) 9.256 2.417 ( 6.429 -0.000 7.860) 10.155 2.540 ( 2.056 -0.000 -5.869) 6.219 2.659 ( 4.153 -0.000 2.411) 4.802 2.923 ( 2.708 -0.000 1.978) 3.354 2.979 ( 15.814 -0.000 -0.853) 15.837 3.138 ( -3.782 0.000 3.641) 5.250 3.373 ( 11.486 -0.000 3.921) 12.136 3.596 ( 14.929 -0.000 2.522) 15.140 3.739 ( 1.570 -0.000 12.321) 12.420 3.829 ( 6.400 -0.000 -1.140) 6.501 4.083 ( -2.811 0.000 -9.169) 9.590 4.198 ( -0.479 0.000 3.938) 3.967 4.300 ( 5.578 -0.000 -3.609) 6.644 4.385 ( 3.637 -0.000 5.098) 6.263 4.661 ( 7.421 -0.000 -1.872) 7.653 5.039 ( 6.661 -0.000 -1.396) 6.806 5.254 ( -0.010 0.000 -2.900) 2.900 5.377 ( 7.064 -0.000 0.465) 7.079 5.913 ( -2.171 0.000 -7.952) 8.243 6.136 ( 3.287 -0.000 0.266) 3.298 6.381 ( -1.782 0.000 0.155) 1.789 6.407 ( 8.366 -0.000 -2.840) 8.835 6.689 ( 3.072 -0.000 -3.658) 4.777 7.091 ( -6.301 0.000 -3.134) 7.038 7.109 ( -0.150 0.000 6.196) 6.197 7.432 ( -1.253 0.000 7.760) 7.860 8.410 ( -0.314 0.000 6.105) 6.113 8.812 ( 12.049 -0.000 21.167) 24.356 8.932 ( -4.391 0.000 -0.526) 4.422 9.283 ( -1.560 0.000 -6.324) 6.513 9.537 ( 12.563 -0.000 -11.929) 17.324 19.049 ( 0.612 -0.000 -0.964) 1.142 19.136 ( 2.008 -0.000 0.775) 2.152 19.287 ( -1.266 0.000 1.410) 1.895 19.337 ( -0.164 0.000 -1.424) 1.434 21.373 ( -1.831 0.000 1.531) 2.387 21.472 ( -3.339 0.000 -0.947) 3.471 21.719 ( -6.312 0.000 2.271) 6.708 21.735 ( -4.425 0.000 -2.565) 5.115 24.436 ( -0.737 0.000 0.786) 1.078 24.459 ( 0.248 -0.000 -0.371) 0.447 24.485 ( 0.077 -0.000 -0.032) 0.083 24.600 ( 0.005 -0.000 1.186) 1.186 32.342 ( 0.262 -0.000 -0.585) 0.641 32.378 ( 0.301 -0.000 -1.631) 1.658 32.394 ( -0.288 0.000 -1.508) 1.535 32.418 ( 0.233 -0.000 2.033) 2.046 40.567 ( -3.414 0.000 -13.781) 14.198 41.011 ( -3.140 0.000 8.885) 9.423 41.454 ( 1.888 -0.000 -0.789) 2.046 42.336 ( -11.628 0.000 -12.847) 17.328 44.597 ( -6.272 0.000 1.232) 6.392 44.964 ( -6.311 0.000 1.231) 6.430 46.403 ( 20.673 -0.000 12.916) 24.377 46.731 ( 36.286 -0.000 -14.579) 39.105 ======================= Grid point 217 (110/129) ======================= q-point: ( 0.38 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 3.715 0.110 -3.602) 5.175 1.461 ( 4.412 -3.848 -7.079) 9.186 2.073 ( 8.164 5.768 3.245) 10.509 2.151 ( 8.230 6.188 4.848) 11.381 2.335 ( 1.853 -1.003 -7.721) 8.004 2.495 ( -0.919 -0.598 4.119) 4.263 2.561 ( -0.340 -2.191 2.428) 3.288 2.680 ( -1.092 0.574 1.921) 2.283 2.872 ( 0.042 4.389 1.698) 4.707 3.074 ( 1.221 4.167 -0.147) 4.345 3.263 ( 4.498 -7.180 3.975) 9.359 3.479 ( 5.186 0.316 -0.411) 5.212 3.669 ( 5.373 10.201 0.490) 11.540 3.894 ( 5.061 -3.472 -0.339) 6.147 3.950 ( 6.244 -0.936 0.965) 6.387 4.022 ( 3.602 1.483 1.140) 4.059 4.232 ( 0.094 -0.095 2.196) 2.200 4.401 ( 5.479 -3.331 -2.330) 6.823 4.487 ( 6.526 0.559 3.309) 7.338 4.807 ( 12.390 -0.918 -1.294) 12.491 5.123 ( 6.772 0.736 0.928) 6.875 5.230 ( 0.489 1.245 -3.703) 3.937 5.480 ( 5.016 -0.581 1.144) 5.178 5.784 ( -3.665 4.563 -10.000) 11.586 6.224 ( 4.376 -3.476 2.566) 6.150 6.333 ( -1.571 1.973 0.693) 2.616 6.550 ( 4.968 -5.788 -3.332) 8.324 6.689 ( 1.204 2.266 -5.086) 5.697 6.969 ( -4.206 3.033 -1.889) 5.519 7.131 ( -4.076 -2.799 5.662) 7.517 7.514 ( 4.808 -1.753 6.278) 8.100 8.425 ( -3.369 -0.907 6.308) 7.209 8.866 ( -4.352 0.975 2.091) 4.925 8.996 ( 1.248 -1.023 8.845) 8.991 9.252 ( 6.258 6.973 1.018) 9.424 9.634 ( 12.713 3.382 -11.703) 17.608 19.053 ( 1.397 0.859 -0.500) 1.714 19.176 ( 1.842 -1.012 0.283) 2.121 19.272 ( -1.392 0.031 0.904) 1.661 19.319 ( -1.191 0.104 -1.330) 1.788 21.364 ( -0.050 0.329 2.061) 2.088 21.417 ( -2.827 0.475 -1.352) 3.169 21.622 ( -5.420 0.384 0.206) 5.437 21.694 ( -5.581 -4.248 -0.759) 7.055 24.431 ( -0.722 -0.229 0.776) 1.085 24.455 ( -0.270 0.009 -0.544) 0.608 24.491 ( 0.709 0.124 0.134) 0.732 24.597 ( -0.706 0.254 0.434) 0.867 32.340 ( 0.242 0.516 0.047) 0.572 32.364 ( -0.059 0.275 -1.685) 1.709 32.397 ( 0.088 -1.283 -1.487) 1.966 32.439 ( 0.729 -0.030 2.283) 2.397 40.538 ( 5.057 -1.365 -7.003) 8.745 41.012 ( -2.565 0.989 9.109) 9.515 41.476 ( 0.887 -0.710 -0.207) 1.155 42.079 ( -10.660 3.323 -10.826) 15.553 44.559 ( -5.228 -5.149 1.287) 7.450 44.906 ( -7.836 -5.423 0.408) 9.539 46.683 ( 17.799 10.252 13.109) 24.367 47.150 ( 29.698 -1.046 -15.288) 33.418 ======================= Grid point 218 (111/129) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 7.250 0.521 -0.157) 7.270 1.577 ( 6.911 -3.743 -1.908) 8.088 2.101 ( 6.432 6.378 -0.696) 9.085 2.207 ( 7.039 6.227 7.065) 11.757 2.288 ( 0.833 6.468 -3.370) 7.341 2.502 ( -4.139 -2.473 4.987) 6.936 2.512 ( -6.195 4.516 1.846) 7.886 2.658 ( -1.367 -1.112 -0.438) 1.816 2.897 ( -0.230 -4.101 4.751) 6.280 3.008 ( 0.301 5.013 -6.922) 8.551 3.386 ( -0.909 -7.457 2.582) 7.944 3.543 ( 2.292 -3.131 -2.159) 4.441 3.602 ( 8.664 13.579 -1.218) 16.154 3.942 ( 0.191 1.615 -2.215) 2.748 4.015 ( 4.477 2.216 0.567) 5.027 4.087 ( 5.205 5.821 7.912) 11.116 4.209 ( -0.722 2.801 1.241) 3.148 4.465 ( 2.166 1.840 -1.893) 3.415 4.544 ( 4.884 5.131 2.616) 7.551 4.934 ( 5.121 2.580 -3.258) 6.595 5.161 ( 3.051 5.013 -3.493) 6.829 5.271 ( 5.078 -2.405 3.895) 6.837 5.522 ( 0.293 1.931 -2.102) 2.869 5.607 ( -3.344 5.410 -7.631) 9.934 6.292 ( -2.706 0.900 2.501) 3.793 6.353 ( 3.945 -2.965 3.293) 5.933 6.594 ( -3.371 4.910 -4.031) 7.191 6.634 ( 1.156 -3.346 -3.699) 5.120 6.913 ( 1.666 0.436 -2.280) 2.857 7.127 ( -6.202 -3.220 5.344) 8.797 7.657 ( 8.030 -0.478 4.950) 9.446 8.372 ( -7.285 2.201 3.065) 8.204 8.815 ( -3.804 0.287 4.626) 5.996 9.016 ( -1.239 -3.535 -7.067) 7.999 9.287 ( 8.357 10.159 12.776) 18.338 9.688 ( 12.006 5.863 -12.027) 17.977 19.064 ( 2.104 1.103 0.123) 2.379 19.207 ( 0.781 -0.394 -0.349) 0.941 19.263 ( -0.721 -0.628 0.396) 1.035 19.289 ( -1.823 -0.110 -0.823) 2.003 21.371 ( -0.442 0.474 -1.377) 1.521 21.399 ( 1.638 -1.525 1.999) 3.001 21.562 ( -4.988 -2.452 -0.357) 5.570 21.671 ( -5.666 -5.052 -0.589) 7.614 24.429 ( -0.601 -0.377 0.670) 0.976 24.448 ( -0.336 -0.051 -0.487) 0.593 24.501 ( 0.894 0.270 0.127) 0.942 24.580 ( -1.067 0.323 -0.161) 1.126 32.341 ( 0.533 0.367 0.548) 0.847 32.356 ( -0.044 -0.018 -0.621) 0.623 32.407 ( 0.478 -0.737 -1.350) 1.610 32.457 ( 0.141 -0.014 1.658) 1.664 40.645 ( 8.890 -2.069 -0.456) 9.139 41.022 ( -1.113 -0.004 8.823) 8.893 41.483 ( -0.189 0.146 -2.137) 2.151 41.856 ( -8.743 1.256 -7.653) 11.687 44.588 ( -2.930 -7.331 1.087) 7.969 44.877 ( -8.596 -8.094 -0.058) 11.807 46.784 ( 11.846 18.335 14.136) 26.006 47.389 ( 20.077 6.988 -18.132) 27.941 ======================= Grid point 219 (112/129) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 7.145 2.398 2.433) 7.920 1.682 ( 3.685 0.273 -0.662) 3.754 2.110 ( 5.456 4.945 -0.276) 7.369 2.184 ( 0.121 8.162 2.179) 8.449 2.231 ( -3.225 5.956 9.461) 11.635 2.378 ( 2.524 5.824 -1.698) 6.571 2.485 ( -4.102 -0.341 3.596) 5.465 2.666 ( 0.232 -1.812 -3.354) 3.819 2.885 ( -2.194 2.139 -6.531) 7.214 2.971 ( 0.668 -0.345 0.283) 0.804 3.498 ( 5.541 0.306 -0.999) 5.638 3.536 ( 6.061 11.244 4.130) 13.425 3.593 ( -1.979 -4.450 -1.516) 5.101 3.803 ( -6.173 10.224 -1.531) 12.041 4.011 ( 0.368 6.209 2.066) 6.554 4.059 ( 2.835 9.862 0.272) 10.265 4.208 ( 0.646 0.442 4.914) 4.976 4.381 ( -1.936 7.546 -2.196) 8.094 4.563 ( 5.321 5.840 3.123) 8.495 4.835 ( -2.917 10.135 -4.249) 11.370 5.112 ( 1.363 4.790 -1.106) 5.102 5.369 ( -4.213 6.018 -9.980) 12.392 5.384 ( 2.954 -1.331 5.220) 6.144 5.535 ( -0.500 1.760 -0.725) 1.968 6.247 ( -2.730 2.507 4.100) 5.527 6.390 ( 1.076 5.397 -4.034) 6.824 6.508 ( -2.577 -1.881 3.852) 5.002 6.649 ( 0.189 -1.644 -4.795) 5.072 6.970 ( 5.423 -1.952 -1.228) 5.893 7.092 ( -7.519 -2.560 4.769) 9.265 7.784 ( 7.961 3.578 5.173) 10.146 8.203 ( -8.358 5.354 -2.870) 10.333 8.792 ( -4.766 0.111 9.323) 10.471 9.010 ( 2.045 -2.283 -10.356) 10.800 9.346 ( 4.232 5.916 11.990) 14.024 9.686 ( 8.914 7.637 -13.048) 17.551 19.084 ( 2.433 1.245 0.800) 2.848 19.197 ( -1.187 0.802 -1.378) 1.988 19.262 ( -0.886 -0.745 0.293) 1.194 19.278 ( -0.487 -0.996 -0.172) 1.121 21.382 ( 2.506 -1.276 -0.703) 2.899 21.471 ( 1.365 -2.352 1.811) 3.267 21.542 ( -2.583 -4.986 -0.711) 5.660 21.657 ( -5.258 -5.597 -0.759) 7.717 24.431 ( -0.369 -0.456 0.497) 0.769 24.443 ( -0.207 -0.126 -0.382) 0.453 24.511 ( 0.954 0.397 0.207) 1.053 24.557 ( -1.256 0.348 -0.438) 1.375 32.352 ( -0.219 -0.321 1.135) 1.200 32.354 ( 0.901 0.283 -0.416) 1.031 32.416 ( 1.052 -0.069 -0.834) 1.345 32.458 ( -0.823 0.224 0.785) 1.160 40.837 ( 11.179 -4.252 3.284) 12.403 41.085 ( -0.256 -3.738 7.991) 8.826 41.437 ( 0.411 3.171 -4.814) 5.779 41.720 ( -8.230 -3.221 -4.042) 9.718 44.679 ( 0.985 -8.111 1.131) 8.248 44.867 ( -8.030 -8.902 -0.604) 12.003 46.704 ( 5.264 25.069 16.599) 30.524 47.325 ( 9.537 18.728 -22.972) 31.135 ======================= Grid point 220 (113/129) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 2.505 5.289 3.525) 6.832 1.656 ( -0.758 3.529 -3.358) 4.930 2.049 ( -3.077 10.791 4.455) 12.073 2.079 ( -3.062 7.387 0.681) 8.025 2.178 ( 2.619 4.375 11.142) 12.254 2.374 ( -1.921 1.662 -0.375) 2.568 2.479 ( 4.688 3.583 1.910) 6.202 2.630 ( 0.387 -0.192 -11.945) 11.953 2.855 ( -1.326 2.235 0.506) 2.647 2.890 ( 0.273 7.542 -4.513) 8.794 3.342 ( -0.212 23.597 4.832) 24.088 3.408 ( -0.303 21.988 -1.186) 22.022 3.629 ( 2.134 -0.678 4.161) 4.725 3.748 ( 0.355 -8.164 -4.871) 9.513 3.881 ( -2.614 8.033 5.002) 9.817 3.973 ( 1.051 5.886 -3.250) 6.805 4.217 ( -1.939 1.748 3.177) 4.113 4.277 ( 0.794 3.046 -1.655) 3.556 4.543 ( 2.516 9.503 2.152) 10.063 4.620 ( -1.795 10.546 -4.404) 11.569 5.084 ( 0.209 2.523 3.390) 4.231 5.208 ( -1.931 3.415 -7.581) 8.535 5.441 ( -0.766 -0.677 5.454) 5.549 5.533 ( 2.060 -1.803 -3.251) 4.250 6.200 ( -1.272 3.410 4.063) 5.455 6.295 ( 1.248 5.528 -4.511) 7.244 6.536 ( -1.332 -1.350 4.718) 5.085 6.643 ( 0.975 -0.490 -5.065) 5.181 7.032 ( -6.605 -1.781 4.478) 8.176 7.086 ( 5.617 -2.271 -0.704) 6.100 7.831 ( 4.488 9.110 8.078) 12.977 7.998 ( -5.463 5.428 -7.246) 10.574 8.766 ( -5.714 1.556 12.366) 13.711 9.022 ( 4.143 -1.299 -10.903) 11.736 9.362 ( -1.764 3.366 8.628) 9.427 9.604 ( 4.324 7.800 -13.518) 16.195 19.107 ( 2.107 1.525 1.473) 2.988 19.146 ( -2.193 1.345 -2.028) 3.276 19.270 ( -0.210 -0.673 0.824) 1.084 19.282 ( -0.219 -0.934 -0.309) 1.008 21.461 ( 1.994 -2.708 0.639) 3.423 21.475 ( -1.809 -2.655 -0.444) 3.243 21.631 ( -0.200 -6.026 1.943) 6.335 21.674 ( 0.007 -6.700 -2.086) 7.017 24.436 ( -0.192 -0.480 0.342) 0.620 24.442 ( 0.138 -0.160 -0.274) 0.346 24.521 ( 0.985 0.431 0.449) 1.165 24.532 ( -1.259 0.388 -0.468) 1.398 32.347 ( -0.850 0.139 1.030) 1.343 32.372 ( 1.295 -0.033 -0.948) 1.606 32.429 ( 0.606 0.514 0.568) 0.977 32.442 ( -0.443 0.090 -0.506) 0.679 41.070 ( 5.990 -4.547 2.473) 7.916 41.152 ( -3.028 -7.087 -2.538) 8.114 41.478 ( 11.090 -2.451 6.692) 13.183 41.630 ( -10.001 -6.320 -5.360) 12.988 44.840 ( 4.735 -8.153 1.386) 9.530 44.875 ( -3.923 -7.854 -1.678) 8.938 46.475 ( -0.796 29.384 18.453) 34.707 46.944 ( 1.690 30.304 -25.638) 39.730 ======================= Grid point 221 (114/129) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -2.479 5.238 -2.459) 6.295 1.602 ( 3.227 5.483 -0.673) 6.398 1.838 ( -5.467 16.670 8.800) 19.627 1.934 ( -4.808 7.848 0.277) 9.208 2.181 ( -2.283 2.315 4.744) 5.751 2.315 ( 0.148 4.487 -0.898) 4.579 2.379 ( 1.361 10.555 -4.927) 11.728 2.629 ( -7.105 5.331 0.815) 8.920 2.711 ( 11.041 -0.491 -3.786) 11.683 2.935 ( 8.738 5.404 -2.400) 10.550 2.975 ( -7.376 17.378 -0.271) 18.881 3.254 ( 12.496 19.167 3.740) 23.184 3.635 ( 0.685 10.669 1.074) 10.745 3.668 ( 2.301 8.026 0.939) 8.402 3.922 ( -0.911 -4.276 -0.939) 4.471 3.973 ( 3.382 -5.914 -0.808) 6.861 4.133 ( -4.323 6.030 4.275) 8.563 4.301 ( 2.807 -0.998 -1.397) 3.290 4.440 ( 0.513 9.355 1.476) 9.485 4.507 ( 3.375 3.277 -4.685) 6.639 5.030 ( -5.104 2.303 1.828) 5.890 5.180 ( 2.815 -0.351 -2.862) 4.030 5.443 ( -2.658 0.882 3.919) 4.817 5.605 ( 3.695 -5.568 -3.135) 7.381 6.168 ( 0.591 3.506 2.088) 4.123 6.254 ( 3.871 3.195 -3.151) 5.926 6.551 ( -0.385 0.998 4.396) 4.524 6.640 ( 1.974 0.554 -3.501) 4.057 6.989 ( -5.391 -2.103 3.894) 6.975 7.192 ( 5.613 -1.051 0.004) 5.711 7.774 ( 0.657 10.600 10.433) 14.888 7.847 ( -0.281 5.299 -7.228) 8.967 8.714 ( -5.967 4.602 13.202) 15.202 9.042 ( 4.792 -1.116 -11.450) 12.463 9.306 ( -5.554 1.116 4.548) 7.264 9.499 ( 2.055 4.418 -10.841) 11.886 19.083 ( -2.008 1.170 -1.513) 2.773 19.124 ( 1.653 1.939 1.317) 2.868 19.273 ( -0.481 -0.291 1.112) 1.246 19.301 ( 0.937 -1.023 -0.268) 1.413 21.440 ( -4.779 -3.066 -0.382) 5.691 21.541 ( 0.927 -1.650 0.171) 1.900 21.696 ( -1.247 -6.910 0.762) 7.063 21.796 ( 3.726 -5.237 -0.506) 6.448 24.440 ( -0.019 -0.283 0.118) 0.307 24.448 ( 0.344 -0.182 0.064) 0.395 24.507 ( -1.091 0.220 -0.349) 1.167 24.535 ( 1.178 0.316 0.778) 1.447 32.338 ( -0.663 0.195 0.944) 1.170 32.374 ( 0.416 0.603 -1.017) 1.253 32.418 ( -0.675 -0.193 -0.788) 1.055 32.451 ( 1.263 0.570 0.096) 1.389 41.047 ( -8.652 -3.548 -2.040) 9.571 41.248 ( 4.745 -0.816 -0.316) 4.825 41.482 ( -14.628 -7.149 -8.406) 18.323 41.901 ( 15.055 -19.604 4.106) 25.056 44.883 ( -2.536 -4.385 -2.115) 5.489 45.101 ( 13.408 -8.521 0.683) 15.901 46.090 ( -9.666 32.700 9.334) 35.353 46.436 ( 6.805 32.781 -14.234) 36.380 ======================= Grid point 225 (115/129) ======================= q-point: ( 0.38 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 8.267 -0.000 -0.778) 8.304 1.511 ( 8.343 -0.000 -0.039) 8.344 2.222 ( 4.800 -0.000 -6.225) 7.861 2.321 ( 4.366 -0.000 3.949) 5.887 2.350 ( 7.513 -0.000 3.763) 8.403 2.497 ( -4.496 0.000 -0.317) 4.507 2.507 ( -3.431 0.000 4.515) 5.671 2.627 ( -5.623 0.000 -0.191) 5.626 2.809 ( -6.398 0.000 3.819) 7.451 3.168 ( -6.997 0.000 -3.418) 7.787 3.201 ( 1.610 -0.000 3.800) 4.127 3.487 ( 3.001 -0.000 -5.540) 6.300 3.868 ( 5.003 -0.000 -4.330) 6.617 3.913 ( 6.023 -0.000 0.133) 6.024 4.063 ( 6.843 -0.000 3.759) 7.808 4.148 ( 5.554 -0.000 8.906) 10.496 4.294 ( 3.672 -0.000 4.736) 5.993 4.445 ( 5.287 -0.000 -3.567) 6.377 4.641 ( 9.994 -0.000 2.348) 10.266 4.930 ( 7.378 -0.000 -3.256) 8.065 5.227 ( 0.804 -0.000 -3.785) 3.870 5.259 ( 10.911 -0.000 1.448) 11.007 5.541 ( 1.915 -0.000 1.440) 2.396 5.689 ( -4.777 0.000 -11.247) 12.219 6.282 ( 2.714 -0.000 4.475) 5.234 6.328 ( -0.362 0.000 1.936) 1.970 6.554 ( 3.181 -0.000 -6.077) 6.859 6.691 ( 0.130 -0.000 -4.986) 4.987 6.945 ( -0.733 0.000 -1.671) 1.825 7.053 ( -6.686 0.000 6.044) 9.013 7.660 ( 10.782 -0.000 5.549) 12.126 8.385 ( -6.453 0.000 5.907) 8.749 8.825 ( -4.832 0.000 4.494) 6.599 8.955 ( -1.920 0.000 -5.392) 5.724 9.455 ( 6.069 -0.000 11.627) 13.116 9.768 ( 11.578 -0.000 -11.834) 16.556 19.081 ( 1.971 -0.000 -0.017) 1.971 19.197 ( 1.740 -0.000 -0.338) 1.773 19.256 ( -1.379 0.000 0.746) 1.568 19.288 ( -2.010 0.000 -1.345) 2.418 21.379 ( -1.772 0.000 -0.839) 1.961 21.381 ( 0.918 -0.000 1.719) 1.949 21.561 ( -5.336 0.000 -2.618) 5.943 21.563 ( -5.583 0.000 1.689) 5.833 24.424 ( -0.585 0.000 0.779) 0.974 24.447 ( -0.334 0.000 -0.600) 0.687 24.505 ( 0.874 -0.000 0.254) 0.910 24.585 ( -1.127 0.000 -0.107) 1.132 32.344 ( -0.262 0.000 0.570) 0.627 32.359 ( 0.331 -0.000 -1.962) 1.990 32.393 ( 1.204 -0.000 -0.430) 1.278 32.457 ( 0.226 -0.000 1.673) 1.688 40.612 ( 9.277 -0.000 -1.811) 9.452 41.028 ( -2.719 0.000 8.171) 8.612 41.484 ( 0.836 -0.000 0.115) 0.844 41.885 ( -10.373 0.000 -10.205) 14.552 44.480 ( -2.723 0.000 2.667) 3.811 44.765 ( -6.780 0.000 -1.343) 6.911 47.049 ( 11.819 -0.000 15.488) 19.483 47.456 ( 24.878 -0.000 -17.817) 30.600 ======================= Grid point 226 (116/129) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 9.349 1.017 2.168) 9.651 1.659 ( 7.309 -1.315 3.419) 8.176 2.209 ( 2.125 2.501 -3.142) 4.543 2.364 ( -0.573 5.713 -1.183) 5.862 2.379 ( -2.192 4.666 6.832) 8.559 2.438 ( -3.145 -0.101 3.529) 4.728 2.489 ( 0.252 -1.221 0.126) 1.253 2.576 ( -1.642 -3.238 -6.045) 7.051 2.813 ( -1.613 -4.204 6.202) 7.664 3.002 ( -6.466 1.067 -4.829) 8.141 3.274 ( -0.056 -5.363 2.752) 6.029 3.495 ( 0.730 -1.752 -7.407) 7.646 3.889 ( 7.239 6.602 -0.314) 9.802 3.966 ( 0.512 1.441 0.878) 1.763 4.133 ( 2.894 3.707 4.750) 6.684 4.245 ( 2.129 0.957 5.086) 5.596 4.323 ( 5.742 7.963 3.614) 10.461 4.490 ( 0.525 -0.172 -1.199) 1.320 4.736 ( 7.397 6.271 2.022) 9.906 4.966 ( 0.050 0.778 -4.199) 4.271 5.213 ( 1.373 2.078 -1.985) 3.185 5.416 ( 9.772 2.562 1.410) 10.200 5.495 ( -4.227 2.632 -8.992) 10.279 5.585 ( -2.460 1.263 -0.994) 2.939 6.291 ( -1.251 0.696 3.995) 4.243 6.407 ( 4.187 -1.292 5.161) 6.771 6.530 ( -2.624 0.004 -7.618) 8.057 6.643 ( 0.017 2.345 -3.441) 4.164 6.948 ( 3.461 0.199 -1.731) 3.875 7.014 ( -6.440 -3.016 4.626) 8.483 7.853 ( 12.908 1.518 4.822) 13.862 8.283 ( -10.043 1.210 2.124) 10.337 8.782 ( -5.217 -0.278 6.714) 8.508 8.929 ( 0.675 -2.510 -7.312) 7.760 9.535 ( 1.927 5.460 12.176) 13.482 9.833 ( 9.222 3.130 -12.629) 15.948 19.110 ( 2.334 0.573 0.555) 2.467 19.208 ( -0.363 0.136 -1.250) 1.308 19.246 ( -0.980 -0.459 0.596) 1.236 19.258 ( -1.037 -0.403 -0.635) 1.281 21.366 ( 0.444 -0.270 -0.336) 0.618 21.419 ( 2.366 -1.229 1.436) 3.029 21.470 ( -4.398 -0.280 -1.268) 4.586 21.531 ( -4.818 -3.750 -0.022) 6.106 24.423 ( -0.357 -0.163 0.713) 0.814 24.440 ( -0.161 -0.040 -0.586) 0.609 24.518 ( 0.920 0.151 0.355) 0.998 24.565 ( -1.222 0.197 -0.410) 1.304 32.344 ( -0.409 -0.226 0.644) 0.796 32.356 ( 0.559 -0.042 -1.368) 1.479 32.415 ( 1.675 -0.031 0.137) 1.681 32.461 ( -0.599 0.049 0.840) 1.033 40.765 ( 10.266 -1.401 1.729) 10.504 41.027 ( -3.027 -0.888 5.201) 6.083 41.494 ( 1.550 1.119 -0.622) 2.010 41.698 ( -8.398 0.278 -7.246) 11.095 44.504 ( 0.256 -4.098 2.830) 4.987 44.692 ( -5.653 -3.823 -2.175) 7.163 47.182 ( 4.595 10.289 16.000) 19.570 47.622 ( 14.880 4.903 -19.093) 24.698 ======================= Grid point 227 (117/129) ======================= q-point: (-0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 2.246 2.444 2.988) 4.466 1.715 ( -0.257 1.430 -0.315) 1.487 2.216 ( -8.574 3.032 9.378) 13.064 2.235 ( 1.291 2.913 2.838) 4.267 2.296 ( 1.791 6.275 -0.018) 6.525 2.431 ( 0.184 2.713 0.483) 2.762 2.533 ( 6.616 0.220 -2.732) 7.161 2.552 ( -2.723 -3.935 -10.296) 11.354 2.870 ( -0.224 -1.274 5.883) 6.023 2.964 ( 1.121 -2.022 -3.896) 4.530 3.377 ( -1.260 -8.751 3.644) 9.563 3.487 ( -0.779 -4.405 -5.851) 7.365 3.867 ( -2.837 10.586 1.698) 11.091 3.890 ( 4.580 9.480 -0.683) 10.551 4.113 ( -0.581 6.195 4.207) 7.511 4.195 ( 0.092 7.446 -2.604) 7.889 4.328 ( 1.957 6.945 7.436) 10.361 4.431 ( -1.124 5.528 -2.058) 6.005 4.748 ( 4.617 7.000 4.250) 9.401 4.852 ( -5.111 6.025 -5.473) 9.611 5.192 ( 1.675 4.362 1.793) 5.004 5.314 ( -4.701 4.611 -8.318) 10.609 5.493 ( 2.504 3.678 1.308) 4.638 5.521 ( -0.940 0.889 -0.914) 1.584 6.286 ( -0.488 2.608 5.620) 6.215 6.423 ( -1.320 3.478 -6.603) 7.579 6.497 ( 1.314 -1.120 5.469) 5.735 6.614 ( 0.305 -0.847 -5.117) 5.196 6.977 ( -6.682 -2.344 3.607) 7.946 7.027 ( 6.483 -2.039 -1.218) 6.905 8.021 ( 11.941 5.175 4.769) 13.861 8.102 ( -10.150 2.698 -2.792) 10.867 8.757 ( -6.059 -1.407 9.746) 11.562 8.948 ( 1.815 -3.328 -7.176) 8.116 9.519 ( -1.638 6.750 11.235) 13.209 9.803 ( 4.896 6.523 -14.257) 16.425 19.138 ( 2.200 0.855 1.153) 2.627 19.170 ( -2.471 0.550 -1.634) 3.013 19.248 ( -0.214 -0.833 0.789) 1.167 19.261 ( 0.044 -0.683 -0.453) 0.821 21.401 ( 0.934 -1.653 0.601) 1.992 21.419 ( -1.414 -1.340 -0.762) 2.092 21.502 ( 0.558 -3.681 1.256) 3.929 21.526 ( -0.236 -4.426 -1.168) 4.584 24.426 ( -0.088 -0.261 0.604) 0.664 24.438 ( 0.131 -0.110 -0.544) 0.571 24.531 ( 0.955 0.300 0.512) 1.124 24.542 ( -1.183 0.346 -0.465) 1.317 32.343 ( -0.755 -0.281 0.730) 1.087 32.364 ( 0.868 -0.488 -1.094) 1.480 32.440 ( 1.553 0.310 0.451) 1.647 32.447 ( -1.140 0.218 -0.075) 1.163 40.954 ( 9.874 -3.288 2.793) 10.775 41.012 ( -5.303 -3.203 -0.538) 6.219 41.505 ( 3.994 2.093 0.612) 4.550 41.564 ( -6.318 -0.292 -3.992) 7.479 44.622 ( 3.422 -7.278 2.596) 8.451 44.679 ( -2.928 -6.266 -2.586) 7.384 47.099 ( -3.311 17.361 17.678) 24.998 47.524 ( 4.468 14.510 -21.714) 26.495 ======================= Grid point 228 (118/129) ======================= q-point: (-0.25 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -8.580 1.109 -1.447) 8.772 1.696 ( -0.689 2.859 0.182) 2.946 2.039 ( -10.115 4.114 6.025) 12.472 2.212 ( 0.538 7.843 -0.538) 7.880 2.331 ( 2.281 5.220 7.499) 9.417 2.369 ( -1.396 3.376 4.298) 5.641 2.480 ( -1.119 0.488 -10.664) 10.733 2.655 ( 9.004 -2.525 -3.330) 9.926 2.844 ( -3.915 7.428 -2.122) 8.661 2.992 ( 4.537 -1.137 0.099) 4.679 3.427 ( -7.993 4.558 5.149) 10.544 3.570 ( 1.800 -8.616 0.612) 8.824 3.647 ( -2.957 3.376 -4.541) 6.384 3.807 ( 6.182 14.466 -1.730) 15.827 3.975 ( -4.960 8.654 4.047) 10.764 4.087 ( 0.153 8.317 -1.555) 8.462 4.283 ( -0.343 4.083 2.491) 4.795 4.340 ( 1.817 7.519 -1.505) 7.880 4.629 ( -5.792 7.576 -2.156) 9.777 4.755 ( 3.510 7.448 1.696) 8.406 5.138 ( -3.115 5.223 -0.592) 6.110 5.204 ( 1.557 3.242 1.512) 3.901 5.459 ( -1.108 -1.920 -1.290) 2.565 5.531 ( 2.153 2.266 -0.454) 3.158 6.266 ( -0.406 3.468 5.267) 6.319 6.348 ( 1.294 3.693 -3.624) 5.333 6.549 ( 1.380 -0.573 3.844) 4.124 6.616 ( 1.244 -2.142 -5.290) 5.841 6.928 ( -6.217 -2.094 2.986) 7.208 7.151 ( 6.927 -2.218 -0.874) 7.326 7.900 ( -7.795 2.660 -5.002) 9.636 8.112 ( 8.752 10.279 5.693) 14.652 8.747 ( -5.879 -1.474 11.240) 12.770 8.982 ( 1.417 -3.309 -6.108) 7.090 9.432 ( -5.499 7.146 9.150) 12.846 9.658 ( 0.112 7.774 -15.568) 17.402 19.111 ( -2.744 0.917 -1.492) 3.255 19.164 ( 1.656 1.031 1.387) 2.394 19.265 ( 0.031 -0.366 0.302) 0.476 19.269 ( 0.431 -1.276 0.415) 1.409 21.376 ( -3.544 -1.517 -0.039) 3.855 21.492 ( 1.086 -1.847 -0.134) 2.147 21.528 ( 0.624 -5.582 0.393) 5.630 21.653 ( 5.642 -5.401 -0.132) 7.811 24.432 ( 0.150 -0.255 0.400) 0.498 24.442 ( 0.464 -0.236 -0.379) 0.644 24.517 ( -1.177 0.453 -0.333) 1.304 24.545 ( 1.075 0.376 0.670) 1.321 32.338 ( -0.854 -0.172 0.859) 1.224 32.377 ( 0.787 -0.471 -1.105) 1.436 32.417 ( -1.578 0.222 -0.628) 1.713 32.464 ( 1.603 0.368 0.138) 1.650 40.933 ( -9.194 -4.037 -5.588) 11.491 41.158 ( 8.357 -5.033 1.155) 9.824 41.429 ( -7.295 1.657 -3.901) 8.437 41.630 ( 9.189 -3.352 4.367) 10.711 44.711 ( -1.143 -7.304 -1.632) 7.571 44.851 ( 9.395 -9.903 0.714) 13.669 46.826 ( -11.682 22.670 15.921) 30.065 47.178 ( -0.559 22.670 -19.926) 30.187 ======================= Grid point 229 (119/129) ======================= q-point: (-0.12 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -6.078 -0.832 -2.743) 6.720 1.638 ( -2.649 0.901 -0.562) 2.854 1.899 ( -6.712 3.635 5.604) 9.469 2.058 ( -6.852 15.225 2.891) 16.944 2.145 ( -3.801 4.366 -3.553) 6.792 2.392 ( 0.826 3.706 -4.480) 5.873 2.468 ( 2.748 0.517 9.858) 10.247 2.627 ( -1.771 7.935 -3.828) 8.987 2.833 ( 9.714 -1.305 -2.466) 10.107 2.991 ( -5.831 8.842 -6.245) 12.295 3.182 ( 1.331 9.187 5.727) 10.907 3.565 ( -1.187 5.352 -2.986) 6.242 3.741 ( 3.931 4.385 -4.099) 7.175 3.758 ( 4.805 -0.780 4.714) 6.777 3.910 ( 1.220 -2.623 4.162) 5.069 3.963 ( -0.400 5.950 -2.091) 6.320 4.239 ( 0.289 6.516 3.122) 7.231 4.296 ( 1.579 0.216 -1.750) 2.367 4.484 ( -1.925 3.385 -3.078) 4.964 4.685 ( 2.932 11.150 0.865) 11.561 5.027 ( -2.705 4.164 0.153) 4.968 5.215 ( 1.691 2.399 3.757) 4.768 5.485 ( 1.337 3.112 0.404) 3.411 5.540 ( 1.148 -6.434 -3.489) 7.408 6.250 ( 0.884 3.698 4.031) 5.542 6.322 ( 2.788 2.267 -2.367) 4.303 6.595 ( 2.215 0.066 1.381) 2.611 6.646 ( 1.835 -1.563 -2.361) 3.374 6.902 ( -3.780 -3.213 2.940) 5.767 7.239 ( 2.274 -0.054 -1.410) 2.676 7.814 ( 2.238 -2.943 -5.048) 6.257 8.049 ( 1.339 16.841 9.401) 19.333 8.743 ( -4.366 0.622 11.092) 11.936 8.997 ( -1.396 -2.459 -3.447) 4.458 9.300 ( -4.464 5.199 4.097) 7.984 9.481 ( -1.948 3.463 -14.871) 15.392 19.056 ( -1.999 0.711 -1.445) 2.567 19.174 ( 0.935 1.366 1.463) 2.209 19.271 ( -0.029 -0.293 0.872) 0.920 19.299 ( 0.851 -1.255 0.260) 1.538 21.351 ( -2.652 -1.385 0.492) 3.032 21.495 ( -2.443 -2.522 -1.043) 3.663 21.642 ( 3.205 -4.296 0.680) 5.403 21.793 ( 4.259 -4.270 -0.075) 6.032 24.441 ( 0.405 -0.182 0.141) 0.466 24.452 ( 0.470 -0.208 -0.029) 0.514 24.494 ( -1.026 0.326 -0.242) 1.103 24.560 ( 1.082 0.284 0.863) 1.413 32.332 ( -0.695 -0.063 0.379) 0.794 32.382 ( 0.189 0.253 0.374) 0.490 32.397 ( -0.503 -0.470 -1.730) 1.861 32.474 ( 0.756 0.604 -0.446) 1.065 40.815 ( -10.553 -5.069 -5.844) 13.085 41.244 ( -7.116 0.854 -9.619) 11.995 41.334 ( 5.658 -0.128 4.356) 7.141 41.879 ( 7.977 -11.065 2.426) 13.854 44.798 ( 1.623 -6.135 -1.816) 6.601 45.154 ( 12.276 -11.313 -0.104) 16.694 46.342 ( -15.436 27.506 4.057) 31.801 46.816 ( 2.947 21.604 -6.710) 22.814 ======================= Grid point 234 (120/129) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -2.403 0.000 2.569) 3.518 1.731 ( 5.840 -0.000 2.219) 6.248 2.243 ( 1.437 -0.000 7.522) 7.658 2.283 ( -13.185 0.000 6.000) 14.486 2.406 ( 3.091 -0.000 -1.504) 3.437 2.471 ( -3.167 0.000 -8.584) 9.149 2.491 ( 4.823 -0.000 -2.902) 5.629 2.513 ( 4.415 -0.000 -4.457) 6.273 2.846 ( 4.104 -0.000 5.538) 6.893 2.886 ( -4.837 0.000 -0.345) 4.849 3.278 ( 1.354 -0.000 4.180) 4.393 3.434 ( -1.385 0.000 -8.858) 8.966 3.978 ( -1.853 0.000 1.353) 2.294 3.992 ( 2.878 -0.000 -0.306) 2.894 4.211 ( 0.275 -0.000 5.773) 5.780 4.300 ( 1.917 -0.000 0.589) 2.005 4.449 ( -5.147 0.000 1.707) 5.422 4.476 ( 3.825 -0.000 2.088) 4.358 4.868 ( 3.080 -0.000 1.610) 3.476 4.924 ( -3.813 0.000 -3.791) 5.377 5.255 ( 2.840 -0.000 1.434) 3.182 5.386 ( -5.061 0.000 -9.883) 11.103 5.540 ( -5.670 0.000 1.159) 5.788 5.563 ( 5.967 -0.000 0.187) 5.970 6.319 ( 0.967 -0.000 5.138) 5.229 6.458 ( -1.942 0.000 -7.243) 7.499 6.486 ( 3.210 -0.000 6.253) 7.028 6.614 ( -2.671 0.000 -5.355) 5.984 6.937 ( -4.314 0.000 3.719) 5.696 6.996 ( 4.761 -0.000 -2.000) 5.164 8.090 ( 14.852 -0.000 3.619) 15.287 8.138 ( -11.600 0.000 -1.015) 11.645 8.733 ( -6.673 0.000 8.832) 11.070 8.898 ( 1.725 -0.000 -5.594) 5.854 9.620 ( -3.095 0.000 11.109) 11.533 9.895 ( 6.078 -0.000 -13.567) 14.866 19.150 ( 2.067 -0.000 1.053) 2.320 19.177 ( -2.572 0.000 -1.425) 2.940 19.236 ( -0.529 0.000 0.794) 0.954 19.251 ( 0.628 -0.000 -0.716) 0.953 21.380 ( 1.721 -0.000 0.819) 1.906 21.406 ( -3.313 0.000 -1.100) 3.491 21.456 ( -2.327 0.000 0.527) 2.386 21.458 ( 3.710 -0.000 -0.194) 3.715 24.422 ( -0.061 0.000 0.682) 0.685 24.437 ( 0.123 -0.000 -0.635) 0.646 24.535 ( 0.966 -0.000 0.575) 1.124 24.547 ( -1.187 0.000 -0.482) 1.282 32.339 ( -0.529 0.000 0.484) 0.716 32.355 ( 0.422 -0.000 -1.071) 1.151 32.444 ( 1.880 -0.000 0.476) 1.940 32.450 ( -1.317 0.000 -0.007) 1.317 40.912 ( 9.572 -0.000 2.693) 9.944 40.973 ( -5.035 0.000 -1.179) 5.171 41.538 ( 3.323 -0.000 0.333) 3.339 41.564 ( -5.946 0.000 -3.718) 7.013 44.519 ( 3.276 -0.000 3.368) 4.699 44.591 ( -2.948 0.000 -3.221) 4.366 47.331 ( -4.902 0.000 16.046) 16.779 47.710 ( 6.212 -0.000 -18.990) 19.981 ======================= Grid point 235 (121/129) ======================= q-point: (-0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -11.489 0.801 0.046) 11.517 1.750 ( -2.435 1.108 -1.796) 3.222 2.108 ( -13.201 1.313 6.161) 14.627 2.353 ( 4.406 0.389 9.772) 10.727 2.363 ( -0.926 3.190 -2.185) 3.976 2.452 ( -0.926 -0.293 -1.425) 1.725 2.532 ( 9.017 3.531 -5.000) 10.898 2.591 ( 6.676 -1.870 -5.697) 8.973 2.878 ( 0.546 -3.985 0.845) 4.110 2.951 ( 5.144 -0.564 0.531) 5.202 3.316 ( -2.030 -0.906 4.017) 4.591 3.398 ( 0.331 -4.697 -4.230) 6.330 3.895 ( -6.506 5.782 -0.096) 8.705 3.991 ( -0.433 1.883 -1.057) 2.202 4.184 ( -4.110 6.400 3.532) 8.386 4.268 ( -0.200 3.631 -3.379) 4.964 4.367 ( -5.510 1.989 3.683) 6.919 4.491 ( -0.075 2.098 -0.002) 2.099 4.796 ( -7.434 4.043 -4.302) 9.493 4.870 ( -1.148 2.380 4.055) 4.841 5.256 ( -3.660 3.021 -5.716) 7.429 5.305 ( 3.585 2.733 5.122) 6.823 5.433 ( -7.731 0.308 -0.812) 7.780 5.602 ( 1.861 1.656 -0.005) 2.492 6.341 ( -1.031 2.566 4.725) 5.475 6.413 ( 0.926 0.104 -3.500) 3.622 6.531 ( -1.816 -0.644 -0.448) 1.979 6.559 ( -0.332 -1.237 -0.679) 1.450 6.905 ( -2.893 0.406 2.393) 3.777 7.082 ( 6.458 -2.474 -1.740) 7.131 7.950 ( -10.982 1.109 -4.146) 11.791 8.297 ( 14.683 3.619 1.686) 15.217 8.698 ( -6.979 -1.388 11.618) 13.624 8.906 ( 0.915 -1.837 -3.551) 4.102 9.584 ( -6.091 3.470 9.781) 12.034 9.846 ( 1.736 4.883 -15.411) 16.259 19.128 ( -2.816 0.386 -1.095) 3.046 19.178 ( 1.060 0.170 1.295) 1.683 19.242 ( 0.362 -0.601 0.887) 1.131 19.259 ( 0.719 -0.146 -0.657) 0.985 21.364 ( -1.525 0.380 -0.057) 1.572 21.420 ( -0.510 -2.447 0.658) 2.585 21.460 ( 3.004 -0.581 0.040) 3.060 21.538 ( 5.202 -2.864 -0.361) 5.949 24.428 ( 0.208 -0.101 0.601) 0.644 24.438 ( 0.436 -0.089 -0.653) 0.791 24.526 ( -1.121 0.213 -0.403) 1.210 24.552 ( 1.064 0.164 0.764) 1.320 32.333 ( -0.705 -0.115 0.672) 0.981 32.360 ( 0.445 -0.559 -0.799) 1.072 32.424 ( -1.799 0.191 -0.601) 1.906 32.469 ( 1.493 0.090 0.033) 1.496 40.867 ( -7.868 -1.096 -6.706) 10.396 41.063 ( 8.110 -1.872 1.163) 8.405 41.481 ( -3.606 1.416 -0.239) 3.881 41.604 ( 5.758 0.041 2.062) 6.117 44.568 ( -0.325 -2.861 -2.745) 3.978 44.640 ( 6.538 -5.167 2.331) 8.653 47.228 ( -13.820 7.914 15.942) 22.534 47.578 ( -2.855 7.863 -19.279) 21.016 ======================= Grid point 236 (122/129) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -10.670 -0.251 0.416) 10.681 1.640 ( -8.001 -0.845 -5.350) 9.662 1.970 ( -8.761 2.543 9.465) 13.145 2.260 ( -3.932 4.121 -1.225) 5.826 2.345 ( -6.047 6.270 -4.622) 9.860 2.469 ( 3.223 0.218 8.216) 8.829 2.558 ( 5.621 6.997 -1.841) 9.162 2.696 ( 4.922 -3.554 -4.497) 7.555 2.926 ( 1.238 8.446 -1.115) 8.609 2.988 ( 3.027 -5.085 -2.381) 6.379 3.373 ( -0.059 -5.107 5.070) 7.196 3.490 ( 1.084 -7.711 1.138) 7.869 3.635 ( -9.374 10.686 -3.949) 14.753 3.934 ( -1.938 2.664 -1.147) 3.488 3.996 ( -7.887 6.731 2.734) 10.723 4.196 ( 0.105 8.499 -1.683) 8.665 4.276 ( -3.245 0.378 -2.487) 4.106 4.438 ( -1.339 3.879 0.018) 4.103 4.604 ( -6.382 4.868 -3.243) 8.657 4.840 ( -3.336 1.147 4.496) 5.715 5.138 ( -3.030 4.384 -2.108) 5.731 5.333 ( 0.555 3.603 4.346) 5.672 5.369 ( -0.575 -2.762 0.741) 2.917 5.583 ( -0.810 2.031 -0.483) 2.239 6.305 ( -1.738 1.423 3.376) 4.055 6.393 ( -0.752 2.149 -0.713) 2.386 6.549 ( -0.158 -5.544 -2.459) 6.067 6.580 ( 1.127 -0.505 1.573) 2.000 6.870 ( -1.588 1.227 1.985) 2.822 7.203 ( 5.587 -2.742 -1.742) 6.463 7.776 ( -7.032 -0.115 -5.860) 9.155 8.415 ( 11.574 9.164 0.666) 14.777 8.695 ( -5.904 -1.966 13.682) 15.031 8.929 ( -0.725 -2.601 -0.262) 2.713 9.470 ( -7.480 5.720 7.536) 12.061 9.649 ( -3.317 8.739 -18.210) 20.469 19.077 ( -2.470 0.744 -0.988) 2.762 19.190 ( -0.077 -0.077 1.076) 1.081 19.268 ( 0.679 -0.028 -0.065) 0.683 19.269 ( 1.071 -0.844 1.090) 1.746 21.346 ( -0.292 0.818 0.808) 1.187 21.431 ( -1.266 -2.147 -0.901) 2.650 21.550 ( 5.261 -2.476 0.601) 5.845 21.670 ( 5.972 -4.659 -0.242) 7.578 24.436 ( 0.413 -0.126 0.392) 0.583 24.445 ( 0.667 -0.242 -0.536) 0.889 24.505 ( -1.065 0.395 -0.243) 1.162 24.569 ( 1.105 0.345 0.838) 1.429 32.329 ( -0.726 -0.149 0.854) 1.131 32.372 ( 0.484 -0.851 -0.820) 1.277 32.393 ( -1.582 0.077 -0.503) 1.661 32.483 ( 0.770 0.111 -0.713) 1.056 40.717 ( -10.002 -2.379 -7.583) 12.775 41.187 ( 4.555 -2.716 -4.739) 7.112 41.413 ( -1.033 3.649 2.847) 4.742 41.731 ( 7.437 -1.955 4.240) 8.781 44.624 ( 2.236 -5.732 -2.144) 6.516 44.868 ( 10.127 -9.773 0.843) 14.099 46.902 ( -20.892 15.000 10.850) 27.914 47.265 ( -7.394 12.115 -14.376) 20.201 ======================= Grid point 237 (123/129) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -5.354 -2.346 0.873) 5.910 1.546 ( -5.958 -4.451 -1.676) 7.623 1.869 ( -6.513 2.955 7.705) 10.513 2.058 ( -11.403 8.624 -3.003) 14.609 2.168 ( -2.752 4.880 -0.508) 5.626 2.478 ( 0.487 8.719 1.939) 8.945 2.546 ( 0.593 0.127 5.884) 5.915 2.683 ( -0.199 2.863 -4.790) 5.584 2.886 ( -3.941 2.074 -7.239) 8.499 2.994 ( 3.215 3.895 -2.235) 5.523 3.295 ( -1.005 4.669 3.880) 6.153 3.508 ( -3.332 -1.188 -4.395) 5.642 3.697 ( 5.497 -10.276 0.862) 11.686 3.877 ( -0.681 2.175 1.473) 2.713 3.893 ( -3.495 -1.555 4.915) 6.228 4.043 ( -1.474 7.922 -4.243) 9.107 4.247 ( 0.386 0.123 -2.388) 2.422 4.373 ( -0.653 4.143 1.200) 4.363 4.475 ( -3.234 2.578 -1.372) 4.358 4.780 ( -4.114 1.841 0.987) 4.614 5.042 ( -1.613 3.725 -0.614) 4.106 5.320 ( 0.893 2.623 2.426) 3.683 5.439 ( 0.365 -5.601 1.223) 5.745 5.532 ( -1.027 2.423 -0.524) 2.684 6.298 ( -1.522 -0.030 4.446) 4.699 6.359 ( -0.213 0.526 -0.979) 1.131 6.584 ( -0.655 -2.788 -1.589) 3.275 6.637 ( 1.547 -2.464 0.826) 3.024 6.875 ( 1.974 -0.462 2.412) 3.151 7.240 ( -1.385 1.134 -2.778) 3.304 7.763 ( 3.935 -7.518 -4.622) 9.663 8.359 ( 3.347 18.639 2.926) 19.162 8.728 ( -3.226 -2.603 11.804) 12.511 8.934 ( -4.200 -0.821 5.677) 7.109 9.328 ( -5.615 4.880 2.831) 7.960 9.395 ( -2.252 4.593 -20.221) 20.858 19.033 ( -1.531 0.609 -0.880) 1.868 19.194 ( -0.218 -0.226 0.940) 0.991 19.276 ( 0.522 0.179 0.377) 0.668 19.300 ( 0.698 -0.803 0.913) 1.402 21.342 ( 0.671 1.167 1.570) 2.068 21.432 ( -0.966 -1.495 -1.934) 2.628 21.655 ( 3.651 -2.422 0.517) 4.412 21.802 ( 4.239 -3.561 -0.203) 5.540 24.446 ( 0.523 -0.132 0.163) 0.564 24.455 ( 0.621 -0.260 -0.333) 0.751 24.484 ( -0.947 0.440 -0.077) 1.047 24.583 ( 0.839 0.424 0.716) 1.182 32.323 ( -0.659 -0.017 0.364) 0.753 32.374 ( -0.513 -0.553 -1.391) 1.582 32.390 ( 0.422 -0.493 1.205) 1.369 32.480 ( -0.110 0.262 -1.460) 1.487 40.587 ( -8.863 -4.234 -4.135) 10.657 41.159 ( -1.544 2.864 -9.050) 9.617 41.435 ( 3.544 0.478 4.831) 6.011 41.887 ( 5.365 -3.731 2.969) 7.177 44.748 ( 4.015 -6.623 -1.292) 7.852 45.169 ( 10.861 -11.496 -0.521) 15.824 46.398 ( -21.080 18.497 3.420) 28.253 46.971 ( -4.538 8.749 -7.071) 12.130 ======================= Grid point 243 (124/129) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -12.084 0.000 1.096) 12.134 1.622 ( -11.061 0.000 -8.170) 13.751 2.008 ( -7.389 0.000 11.315) 13.514 2.335 ( -4.396 0.000 -0.596) 4.436 2.421 ( -2.910 0.000 -2.214) 3.656 2.468 ( 2.582 -0.000 6.723) 7.201 2.626 ( 4.533 -0.000 -7.869) 9.082 2.679 ( 9.020 -0.000 -3.766) 9.774 2.855 ( 2.814 -0.000 -0.436) 2.847 3.080 ( 8.930 -0.000 3.381) 9.549 3.292 ( -2.371 0.000 -4.556) 5.136 3.352 ( -0.825 0.000 6.590) 6.641 3.831 ( -8.250 0.000 -0.264) 8.254 3.947 ( -5.139 0.000 -2.469) 5.701 4.134 ( -12.043 0.000 -1.773) 12.173 4.231 ( -2.576 0.000 3.167) 4.082 4.368 ( -0.318 0.000 -1.220) 1.261 4.441 ( -5.965 0.000 -3.118) 6.731 4.687 ( -8.304 0.000 -3.815) 9.138 4.830 ( -8.611 0.000 5.701) 10.327 5.207 ( -2.655 0.000 -2.793) 3.853 5.303 ( -7.679 0.000 -2.810) 8.177 5.427 ( 4.536 -0.000 9.120) 10.186 5.601 ( -2.298 0.000 -0.583) 2.371 6.380 ( 0.646 -0.000 -3.994) 4.046 6.393 ( -2.291 0.000 7.812) 8.141 6.415 ( -6.026 0.000 -6.316) 8.729 6.583 ( -0.736 0.000 5.229) 5.281 6.918 ( 1.281 -0.000 1.156) 1.726 7.142 ( 6.215 -0.000 -2.234) 6.605 7.781 ( -9.450 0.000 -5.651) 11.011 8.507 ( 9.877 -0.000 -5.242) 11.182 8.691 ( -1.126 0.000 17.332) 17.369 8.886 ( -0.454 0.000 -0.694) 0.829 9.550 ( -8.128 0.000 7.953) 11.371 9.794 ( -2.034 0.000 -17.558) 17.676 19.088 ( -2.484 0.000 -0.625) 2.562 19.185 ( -0.762 0.000 0.757) 1.074 19.258 ( 1.327 -0.000 1.477) 1.985 19.268 ( 1.126 -0.000 -0.560) 1.257 21.366 ( 0.902 -0.000 0.331) 0.961 21.399 ( -0.145 0.000 0.095) 0.173 21.523 ( 5.168 -0.000 0.997) 5.263 21.593 ( 5.986 -0.000 -1.019) 6.072 24.435 ( 0.399 -0.000 0.570) 0.696 24.441 ( 0.688 -0.000 -0.766) 1.030 24.511 ( -1.027 0.000 -0.306) 1.072 24.574 ( 1.197 -0.000 0.907) 1.502 32.327 ( -0.699 0.000 0.962) 1.189 32.358 ( 0.289 -0.000 -0.377) 0.475 32.394 ( -1.894 0.000 -0.759) 2.040 32.484 ( 0.724 -0.000 -0.813) 1.089 40.688 ( -9.963 0.000 -8.920) 13.372 41.149 ( 6.042 -0.000 -2.450) 6.520 41.466 ( -1.400 0.000 1.735) 2.230 41.714 ( 7.447 -0.000 5.037) 8.991 44.548 ( 2.477 -0.000 -3.514) 4.299 44.722 ( 7.970 -0.000 2.599) 8.383 47.100 ( -22.352 0.000 15.106) 26.978 47.424 ( -10.898 0.000 -19.099) 21.990 ======================= Grid point 244 (125/129) ======================= q-point: (-0.25 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -7.491 -0.387 3.099) 8.116 1.429 ( -11.380 -3.096 -4.068) 12.476 1.979 ( -4.358 3.556 10.844) 12.216 2.223 ( -6.850 3.727 -0.714) 7.830 2.294 ( -8.224 3.738 -4.418) 10.056 2.522 ( 0.360 -0.907 3.378) 3.516 2.620 ( -2.567 -3.096 -5.149) 6.533 2.728 ( 3.452 4.680 -1.368) 5.975 2.927 ( -0.140 -1.096 -3.003) 3.199 3.066 ( -0.192 6.892 -0.252) 6.899 3.325 ( -1.796 -7.275 -0.907) 7.548 3.446 ( 4.633 -5.183 4.804) 8.451 3.627 ( -7.471 10.890 0.938) 13.239 3.868 ( -5.662 -2.410 -1.198) 6.269 3.935 ( -10.431 1.907 1.510) 10.711 4.192 ( -5.241 0.027 -5.657) 7.711 4.254 ( -3.736 4.309 -0.832) 5.764 4.393 ( -3.463 -3.482 -2.366) 5.451 4.545 ( -5.630 2.323 -2.988) 6.784 4.738 ( -10.441 -2.972 4.689) 11.825 5.133 ( -4.023 1.763 -0.996) 4.504 5.234 ( -1.883 -2.106 -3.520) 4.513 5.488 ( -1.324 2.458 3.877) 4.777 5.573 ( 0.217 1.270 5.851) 5.991 6.295 ( -4.892 0.278 -1.316) 5.074 6.338 ( -3.032 0.167 -0.617) 3.099 6.461 ( -1.665 -6.902 2.724) 7.605 6.593 ( -0.646 -0.089 3.726) 3.783 6.932 ( 3.346 3.385 1.373) 4.953 7.223 ( 3.252 -1.956 -2.648) 4.627 7.647 ( -4.350 -1.576 -6.059) 7.624 8.550 ( 1.340 -1.251 -3.419) 3.879 8.799 ( 5.272 6.029 11.926) 14.366 8.900 ( 0.069 -1.987 5.489) 5.838 9.444 ( -8.495 3.239 4.775) 10.270 9.581 ( -6.841 6.380 -20.424) 22.464 19.051 ( -1.839 0.560 -0.307) 1.947 19.176 ( -1.250 -0.721 0.275) 1.469 19.283 ( 1.266 0.194 -0.067) 1.283 19.286 ( 1.010 -0.233 1.578) 1.888 21.384 ( 2.086 1.427 1.083) 2.749 21.407 ( 0.884 -0.519 -1.099) 1.503 21.608 ( 5.151 -0.619 0.939) 5.272 21.702 ( 6.251 -3.321 -0.864) 7.130 24.444 ( 0.457 -0.045 0.415) 0.619 24.449 ( 0.806 -0.158 -0.774) 1.129 24.494 ( -0.903 0.230 -0.148) 0.943 24.594 ( 1.159 0.329 0.706) 1.397 32.324 ( -0.578 0.054 1.316) 1.439 32.362 ( -0.154 -0.343 -1.262) 1.317 32.371 ( -0.925 -0.630 0.879) 1.423 32.482 ( -0.010 0.014 -1.658) 1.658 40.507 ( -10.192 -1.650 -5.458) 11.679 41.197 ( 3.668 0.344 -7.075) 7.977 41.454 ( -0.369 0.655 2.236) 2.359 41.865 ( 8.293 0.565 8.127) 11.624 44.602 ( 4.534 -3.212 -2.583) 6.128 44.902 ( 9.387 -6.948 0.848) 11.709 46.757 ( -27.695 7.941 11.075) 30.866 47.108 ( -15.493 2.046 -16.160) 22.481 ======================= Grid point 245 (126/129) ======================= q-point: (-0.12 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -2.016 -1.683 4.847) 5.513 1.382 ( -4.653 -8.027 4.359) 10.251 1.870 ( -6.505 5.107 4.546) 9.437 1.970 ( -13.004 7.561 -2.662) 15.276 2.178 ( -3.376 2.451 4.682) 6.271 2.522 ( -5.809 -1.868 -1.448) 6.272 2.595 ( -5.448 -2.563 0.417) 6.035 2.616 ( -2.659 8.290 1.126) 8.778 2.753 ( -9.268 2.179 -9.894) 13.731 3.103 ( 4.936 0.388 0.102) 4.952 3.299 ( -5.318 -1.126 -0.322) 5.445 3.403 ( -4.263 -1.581 -6.357) 7.815 3.691 ( 4.323 -4.053 -0.173) 5.928 3.823 ( -2.866 -3.978 5.276) 7.202 3.866 ( -2.138 -0.597 5.265) 5.714 4.039 ( -3.350 2.152 -8.372) 9.271 4.229 ( -1.892 -2.836 0.985) 3.548 4.380 ( -1.711 -0.370 0.492) 1.819 4.444 ( -3.489 1.593 -0.942) 3.950 4.636 ( -10.987 -3.551 -0.878) 11.580 5.060 ( -1.836 1.727 -1.808) 3.101 5.235 ( -1.926 -4.828 -3.080) 6.042 5.435 ( -3.049 -0.966 -0.161) 3.203 5.590 ( 0.929 5.664 9.044) 10.711 6.247 ( -4.372 -3.309 0.470) 5.504 6.306 ( -3.125 -2.122 0.504) 3.811 6.533 ( -1.448 -4.441 2.975) 5.538 6.623 ( 0.825 -2.680 0.861) 2.933 6.959 ( 4.827 3.052 2.486) 6.229 7.207 ( -2.884 1.404 -3.490) 4.740 7.690 ( 4.409 -8.795 -4.361) 10.761 8.526 ( -2.246 5.324 -7.250) 9.271 8.781 ( -2.195 5.222 9.535) 11.091 8.963 ( 0.067 4.459 15.537) 16.164 9.233 ( -6.302 2.296 -15.995) 17.344 9.367 ( -1.889 3.048 -6.177) 7.142 19.021 ( -0.844 0.672 -0.142) 1.089 19.176 ( -0.949 -1.532 0.168) 1.810 19.295 ( 1.028 0.543 0.002) 1.162 19.307 ( 0.228 -0.160 1.371) 1.399 21.393 ( 1.572 1.449 -0.704) 2.251 21.423 ( 2.160 1.110 0.134) 2.433 21.687 ( 3.489 -0.758 0.553) 3.613 21.820 ( 4.233 -2.729 -0.596) 5.071 24.452 ( 0.217 -0.080 0.191) 0.300 24.459 ( 0.745 -0.247 -0.762) 1.094 24.478 ( -0.584 0.431 0.134) 0.738 24.603 ( 0.497 0.716 0.153) 0.884 32.319 ( -0.549 0.266 0.773) 0.985 32.356 ( -0.375 -0.481 -0.288) 0.674 32.393 ( 0.578 -1.384 1.585) 2.182 32.466 ( -0.530 0.161 -2.250) 2.317 40.419 ( -5.123 -4.188 2.803) 7.186 41.160 ( 1.487 3.803 -8.408) 9.347 41.472 ( 0.225 -1.617 0.865) 1.847 41.992 ( 5.726 3.250 8.051) 10.400 44.727 ( 5.097 -5.757 -0.918) 7.744 45.165 ( 9.676 -11.174 -0.727) 14.799 46.262 ( -27.021 11.036 4.408) 29.519 46.829 ( -12.460 -4.021 -11.297) 17.293 ======================= Grid point 252 (127/129) ======================= q-point: (-0.25 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -2.277 0.000 5.575) 6.022 1.259 ( -7.917 0.000 4.728) 9.221 1.991 ( -6.017 0.000 4.854) 7.731 2.137 ( -13.009 0.000 -5.038) 13.950 2.176 ( -4.436 0.000 3.560) 5.688 2.462 ( -12.378 0.000 0.590) 12.392 2.494 ( -4.510 0.000 0.275) 4.519 2.749 ( -3.506 0.000 -5.466) 6.494 2.956 ( 1.354 -0.000 -0.266) 1.379 2.986 ( -14.243 0.000 -1.511) 14.323 3.190 ( -5.072 0.000 -1.177) 5.207 3.444 ( -3.533 0.000 -2.815) 4.517 3.695 ( -6.796 0.000 -4.924) 8.393 3.791 ( 8.105 -0.000 13.495) 15.742 3.802 ( -8.175 0.000 0.521) 8.192 4.055 ( -7.547 0.000 -11.752) 13.967 4.199 ( -6.933 0.000 4.990) 8.542 4.299 ( -0.826 0.000 -5.385) 5.448 4.484 ( -2.565 0.000 -4.589) 5.257 4.597 ( -8.975 0.000 4.490) 10.036 5.049 ( -5.626 0.000 -2.218) 6.048 5.231 ( 2.311 -0.000 -1.005) 2.520 5.404 ( -7.853 0.000 -1.937) 8.088 5.695 ( 3.460 -0.000 11.820) 12.316 6.187 ( -4.743 0.000 -4.260) 6.375 6.315 ( -7.522 0.000 5.727) 9.454 6.389 ( 1.190 -0.000 -0.632) 1.347 6.599 ( -1.261 0.000 4.366) 4.544 7.027 ( 4.697 -0.000 2.503) 5.322 7.215 ( -0.831 0.000 -3.635) 3.728 7.572 ( 0.780 -0.000 -5.228) 5.286 8.524 ( -0.655 0.000 -2.261) 2.354 8.860 ( -3.551 0.000 6.230) 7.171 9.054 ( 10.620 -0.000 8.332) 13.498 9.354 ( -13.884 0.000 -23.397) 27.206 9.380 ( -6.623 0.000 2.838) 7.206 19.035 ( -0.990 0.000 0.349) 1.050 19.148 ( -1.553 0.000 -0.366) 1.596 19.302 ( 0.111 -0.000 1.825) 1.829 19.305 ( 1.541 -0.000 -0.293) 1.569 21.413 ( 1.653 -0.000 -1.808) 2.450 21.445 ( 3.370 -0.000 1.369) 3.638 21.684 ( 4.459 -0.000 1.833) 4.822 21.763 ( 6.454 -0.000 -1.730) 6.682 24.451 ( 0.185 -0.000 0.331) 0.379 24.455 ( 0.850 -0.000 -0.974) 1.293 24.484 ( -0.521 0.000 0.040) 0.523 24.615 ( 0.885 -0.000 -0.037) 0.885 32.332 ( 0.114 -0.000 2.212) 2.215 32.342 ( -1.015 0.000 -0.496) 1.129 32.366 ( 0.047 -0.000 0.959) 0.960 32.469 ( -0.297 0.000 -2.313) 2.332 40.360 ( -5.822 0.000 3.075) 6.585 41.212 ( 3.452 -0.000 -8.839) 9.489 41.445 ( -1.807 0.000 0.536) 1.885 42.055 ( 8.595 -0.000 12.306) 15.010 44.642 ( 5.889 -0.000 -2.711) 6.483 44.978 ( 7.863 -0.000 0.051) 7.863 46.445 ( -31.686 0.000 11.987) 33.877 46.743 ( -21.129 0.000 -18.831) 28.303 ======================= Grid point 253 (128/129) ======================= q-point: (-0.12 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -1.658 -0.629 8.345) 8.532 1.282 ( -1.851 -6.650 11.506) 13.418 1.820 ( -14.434 6.962 0.421) 16.031 1.880 ( -7.679 4.580 -0.755) 8.973 2.136 ( -10.794 -6.014 3.047) 12.726 2.327 ( -9.159 -0.399 6.068) 10.995 2.414 ( -12.381 -7.003 -3.667) 14.690 2.577 ( -8.310 1.855 -3.511) 9.210 2.740 ( -2.991 10.364 -0.613) 10.805 3.013 ( -8.927 -9.472 -4.920) 13.915 3.139 ( -5.948 -8.001 4.208) 10.821 3.309 ( -5.925 2.454 -8.929) 10.994 3.600 ( -5.727 -1.389 -8.537) 10.374 3.770 ( 0.371 -3.293 3.847) 5.077 3.884 ( -6.878 -1.846 -3.293) 7.846 4.009 ( 8.423 -0.945 3.195) 9.058 4.151 ( -3.444 -1.136 3.226) 4.854 4.316 ( -1.465 -5.463 -1.592) 5.876 4.409 ( -2.138 2.014 -4.045) 4.999 4.505 ( -5.661 2.521 3.519) 7.126 4.984 ( -2.846 -2.942 -3.958) 5.694 5.212 ( -1.881 3.923 0.367) 4.366 5.348 ( -1.138 -5.039 -1.905) 5.506 5.737 ( -0.417 6.656 9.759) 11.820 6.136 ( -2.834 -2.997 -2.202) 4.676 6.244 ( -4.889 -0.783 3.706) 6.185 6.456 ( 0.818 -6.637 0.452) 6.703 6.609 ( -1.047 -0.920 3.030) 3.336 7.089 ( 4.203 3.526 2.554) 6.052 7.161 ( -2.203 0.087 -2.538) 3.362 7.630 ( 4.512 -6.036 -4.128) 8.593 8.449 ( -9.907 2.867 -8.875) 13.606 8.809 ( -6.277 3.344 7.753) 10.521 9.003 ( -10.586 0.531 -13.526) 17.185 9.207 ( 8.346 3.129 4.114) 9.817 9.330 ( -1.209 -1.139 -1.628) 2.326 19.024 ( -0.166 0.677 0.571) 0.901 19.136 ( -1.187 -1.723 -0.570) 2.169 19.306 ( -0.625 0.155 1.419) 1.558 19.320 ( 0.935 0.271 -0.498) 1.094 21.422 ( 2.129 1.267 -2.033) 3.205 21.495 ( 3.292 1.105 1.518) 3.790 21.744 ( 3.321 1.045 1.510) 3.794 21.850 ( 4.502 -1.266 -1.420) 4.888 24.451 ( -0.265 -0.010 0.034) 0.268 24.462 ( 0.687 -0.124 -0.995) 1.216 24.481 ( 0.070 0.247 0.375) 0.454 24.612 ( -0.328 0.673 -1.007) 1.255 32.324 ( -0.301 0.605 0.605) 0.907 32.350 ( -0.013 -0.115 1.328) 1.333 32.387 ( 0.339 -1.690 1.378) 2.206 32.452 ( 0.033 0.235 -2.321) 2.333 40.429 ( 8.103 -1.568 14.885) 17.020 41.191 ( 2.819 2.682 -8.800) 9.622 41.425 ( -2.590 -1.979 -0.970) 3.400 42.197 ( 5.047 5.697 13.389) 15.401 44.736 ( 5.227 -3.186 -1.255) 6.249 45.145 ( 7.341 -9.988 -1.476) 12.483 45.987 ( -30.142 7.304 5.326) 31.468 46.411 ( -20.245 -11.684 -13.881) 27.186 ======================= Grid point 261 (129/129) ======================= q-point: (-0.12 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -11.832 0.000 10.462) 15.794 1.273 ( -3.430 0.000 13.496) 13.925 1.669 ( -12.218 0.000 -4.291) 12.949 1.773 ( -22.424 0.000 5.083) 22.992 1.860 ( -3.600 0.000 3.026) 4.702 2.103 ( -12.769 0.000 -3.513) 13.244 2.360 ( -0.780 0.000 13.747) 13.769 2.478 ( -4.075 0.000 -5.399) 6.764 2.737 ( -13.893 0.000 -5.064) 14.787 2.788 ( -1.252 0.000 -1.638) 2.061 2.992 ( -5.976 0.000 5.305) 7.991 3.153 ( -9.684 0.000 -8.515) 12.895 3.467 ( -4.235 0.000 -11.993) 12.719 3.716 ( -7.854 0.000 -5.798) 9.762 3.824 ( 4.948 -0.000 2.305) 5.459 4.068 ( 0.954 -0.000 1.643) 1.900 4.137 ( -4.492 0.000 1.602) 4.769 4.254 ( 0.153 -0.000 -4.203) 4.206 4.391 ( 1.181 -0.000 -4.563) 4.714 4.529 ( -1.170 0.000 10.112) 10.179 4.932 ( 2.666 -0.000 -2.400) 3.587 5.191 ( -4.536 0.000 -0.210) 4.541 5.336 ( 5.928 -0.000 -0.944) 6.002 5.803 ( -4.460 0.000 6.966) 8.271 6.086 ( -0.157 0.000 -1.267) 1.277 6.202 ( -2.361 0.000 3.173) 3.955 6.427 ( 1.708 -0.000 0.377) 1.749 6.599 ( -1.618 0.000 1.967) 2.547 7.096 ( -2.286 0.000 -3.199) 3.932 7.210 ( 4.249 -0.000 4.833) 6.436 7.634 ( 4.938 -0.000 -4.922) 6.972 8.129 ( -29.731 0.000 -12.436) 32.227 8.787 ( -9.293 0.000 13.217) 16.157 8.840 ( 4.180 -0.000 -14.498) 15.089 9.296 ( 0.686 -0.000 -1.173) 1.359 9.367 ( 6.055 -0.000 1.793) 6.315 19.035 ( 0.213 -0.000 0.870) 0.895 19.101 ( -1.064 0.000 -0.991) 1.454 19.301 ( -1.289 0.000 1.596) 2.052 19.325 ( 0.219 -0.000 -1.389) 1.406 21.463 ( 3.144 -0.000 -0.719) 3.225 21.549 ( 2.296 -0.000 0.939) 2.480 21.810 ( 2.750 -0.000 2.509) 3.723 21.897 ( 3.920 -0.000 -2.149) 4.471 24.447 ( -0.252 0.000 -0.014) 0.252 24.464 ( 0.488 -0.000 -1.070) 1.176 24.488 ( 0.304 -0.000 0.514) 0.597 24.594 ( -1.760 0.000 -1.761) 2.489 32.324 ( -0.421 0.000 0.624) 0.753 32.364 ( 0.254 -0.000 0.267) 0.368 32.383 ( 0.171 -0.000 1.635) 1.644 32.449 ( 0.843 -0.000 -1.675) 1.875 40.820 ( 32.132 -0.000 20.445) 38.085 41.205 ( 3.505 -0.000 -9.419) 10.050 41.367 ( -2.258 0.000 1.168) 2.542 42.367 ( -0.329 0.000 16.640) 16.644 44.780 ( 4.383 -0.000 -1.972) 4.806 45.111 ( 0.707 -0.000 -3.036) 3.117 45.681 ( -24.218 0.000 5.853) 24.915 45.907 ( -22.742 0.000 -11.637) 25.546 =================== 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 3/26880 10.0 81.867 82.881 72.827 0.000 14.981 -0.000 3/26880 20.0 18.911 22.836 12.807 0.000 1.608 -0.000 3/26880 30.0 9.464 11.144 5.903 0.000 0.621 -0.000 3/26880 40.0 6.054 7.049 3.704 0.000 0.389 -0.000 3/26880 50.0 4.412 5.117 2.689 0.000 0.288 -0.000 3/26880 60.0 3.468 4.017 2.118 0.000 0.228 -0.000 3/26880 70.0 2.863 3.310 1.757 0.000 0.187 -0.000 3/26880 80.0 2.443 2.820 1.510 0.000 0.157 -0.000 3/26880 90.0 2.136 2.460 1.330 0.000 0.134 -0.000 3/26880 100.0 1.901 2.184 1.193 0.000 0.117 -0.000 3/26880 110.0 1.716 1.966 1.084 0.000 0.103 -0.000 3/26880 120.0 1.566 1.789 0.996 0.000 0.091 -0.000 3/26880 130.0 1.442 1.643 0.923 0.000 0.082 -0.000 3/26880 140.0 1.338 1.521 0.860 0.000 0.074 -0.000 3/26880 150.0 1.249 1.416 0.807 0.000 0.067 -0.000 3/26880 160.0 1.172 1.326 0.760 0.000 0.062 -0.000 3/26880 170.0 1.105 1.247 0.719 0.000 0.057 -0.000 3/26880 180.0 1.046 1.178 0.682 0.000 0.053 -0.000 3/26880 190.0 0.994 1.117 0.649 0.000 0.050 -0.000 3/26880 200.0 0.948 1.063 0.619 0.000 0.047 -0.000 3/26880 210.0 0.906 1.014 0.593 0.000 0.044 -0.000 3/26880 220.0 0.868 0.970 0.568 0.000 0.042 -0.000 3/26880 230.0 0.834 0.930 0.546 0.000 0.040 -0.000 3/26880 240.0 0.803 0.893 0.526 0.000 0.038 -0.000 3/26880 250.0 0.774 0.860 0.508 0.000 0.037 -0.000 3/26880 260.0 0.748 0.830 0.491 0.000 0.036 -0.000 3/26880 270.0 0.724 0.802 0.475 0.000 0.034 -0.000 3/26880 280.0 0.702 0.776 0.461 0.000 0.033 -0.000 3/26880 290.0 0.682 0.753 0.447 0.000 0.032 -0.000 3/26880 300.0 0.663 0.731 0.435 0.000 0.032 -0.000 3/26880 310.0 0.646 0.710 0.423 0.000 0.031 -0.000 3/26880 320.0 0.629 0.691 0.413 0.000 0.030 -0.000 3/26880 330.0 0.614 0.674 0.403 0.000 0.029 -0.000 3/26880 340.0 0.600 0.657 0.393 0.000 0.029 -0.000 3/26880 350.0 0.586 0.641 0.385 0.000 0.028 -0.000 3/26880 360.0 0.574 0.627 0.376 0.000 0.028 -0.000 3/26880 370.0 0.562 0.613 0.369 0.000 0.028 -0.000 3/26880 380.0 0.551 0.600 0.362 0.000 0.027 -0.000 3/26880 390.0 0.540 0.588 0.355 0.000 0.027 -0.000 3/26880 400.0 0.530 0.576 0.348 0.000 0.026 -0.000 3/26880 410.0 0.520 0.565 0.342 0.000 0.026 -0.000 3/26880 420.0 0.511 0.555 0.336 0.000 0.026 -0.000 3/26880 430.0 0.503 0.545 0.331 0.000 0.025 -0.000 3/26880 440.0 0.494 0.535 0.326 0.000 0.025 -0.000 3/26880 450.0 0.486 0.526 0.321 0.000 0.025 -0.000 3/26880 460.0 0.479 0.518 0.316 0.000 0.025 -0.000 3/26880 470.0 0.472 0.509 0.311 0.000 0.024 -0.000 3/26880 480.0 0.465 0.501 0.307 0.000 0.024 -0.000 3/26880 490.0 0.458 0.494 0.302 0.000 0.024 -0.000 3/26880 500.0 0.451 0.486 0.298 0.000 0.024 -0.000 3/26880 510.0 0.445 0.479 0.294 0.000 0.023 -0.000 3/26880 520.0 0.439 0.472 0.291 0.000 0.023 -0.000 3/26880 530.0 0.433 0.466 0.287 0.000 0.023 -0.000 3/26880 540.0 0.428 0.459 0.283 0.000 0.023 -0.000 3/26880 550.0 0.422 0.453 0.280 0.000 0.022 -0.000 3/26880 560.0 0.417 0.447 0.276 0.000 0.022 -0.000 3/26880 570.0 0.412 0.441 0.273 0.000 0.022 -0.000 3/26880 580.0 0.407 0.436 0.270 0.000 0.022 -0.000 3/26880 590.0 0.402 0.430 0.267 0.000 0.022 -0.000 3/26880 600.0 0.397 0.425 0.264 0.000 0.021 -0.000 3/26880 610.0 0.392 0.420 0.261 0.000 0.021 -0.000 3/26880 620.0 0.388 0.415 0.258 0.000 0.021 -0.000 3/26880 630.0 0.384 0.410 0.255 0.000 0.021 -0.000 3/26880 640.0 0.379 0.405 0.253 0.000 0.021 -0.000 3/26880 650.0 0.375 0.401 0.250 0.000 0.020 -0.000 3/26880 660.0 0.371 0.396 0.247 0.000 0.020 -0.000 3/26880 670.0 0.367 0.392 0.245 0.000 0.020 -0.000 3/26880 680.0 0.363 0.387 0.242 0.000 0.020 -0.000 3/26880 690.0 0.359 0.383 0.240 0.000 0.020 -0.000 3/26880 700.0 0.355 0.379 0.237 0.000 0.020 -0.000 3/26880 710.0 0.352 0.375 0.235 0.000 0.019 -0.000 3/26880 720.0 0.348 0.371 0.233 0.000 0.019 -0.000 3/26880 730.0 0.345 0.367 0.231 0.000 0.019 -0.000 3/26880 740.0 0.341 0.363 0.228 0.000 0.019 -0.000 3/26880 750.0 0.338 0.360 0.226 0.000 0.019 -0.000 3/26880 760.0 0.335 0.356 0.224 0.000 0.018 -0.000 3/26880 770.0 0.331 0.352 0.222 0.000 0.018 -0.000 3/26880 780.0 0.328 0.349 0.220 0.000 0.018 -0.000 3/26880 790.0 0.325 0.345 0.218 0.000 0.018 -0.000 3/26880 800.0 0.322 0.342 0.216 0.000 0.018 -0.000 3/26880 810.0 0.319 0.339 0.214 0.000 0.018 -0.000 3/26880 820.0 0.316 0.336 0.212 0.000 0.018 -0.000 3/26880 830.0 0.313 0.332 0.210 0.000 0.017 -0.000 3/26880 840.0 0.310 0.329 0.208 0.000 0.017 -0.000 3/26880 850.0 0.307 0.326 0.206 0.000 0.017 -0.000 3/26880 860.0 0.304 0.323 0.205 0.000 0.017 -0.000 3/26880 870.0 0.302 0.320 0.203 0.000 0.017 -0.000 3/26880 880.0 0.299 0.317 0.201 0.000 0.017 -0.000 3/26880 890.0 0.296 0.315 0.199 0.000 0.017 -0.000 3/26880 900.0 0.294 0.312 0.198 0.000 0.016 -0.000 3/26880 910.0 0.291 0.309 0.196 0.000 0.016 -0.000 3/26880 920.0 0.289 0.306 0.194 0.000 0.016 -0.000 3/26880 930.0 0.286 0.304 0.193 0.000 0.016 -0.000 3/26880 940.0 0.284 0.301 0.191 0.000 0.016 -0.000 3/26880 950.0 0.282 0.298 0.190 0.000 0.016 -0.000 3/26880 960.0 0.279 0.296 0.188 0.000 0.016 -0.000 3/26880 970.0 0.277 0.293 0.187 0.000 0.015 -0.000 3/26880 980.0 0.275 0.291 0.185 0.000 0.015 -0.000 3/26880 990.0 0.272 0.289 0.184 0.000 0.015 -0.000 3/26880 1000.0 0.270 0.286 0.182 0.000 0.015 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:38:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|