----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:11:19]------------------------- 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: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.679764573867628 0.000000000000000 0.000000000000000 b 0.000000000000000 5.660136280000000 0.000000000000000 c -2.006345684136095 0.000000000000000 6.529980241546341 Atomic positions (fractional): *1 O 0.67679756636522 0.98502925600722 0.82245715958790 15.999 2 O 0.32320243363478 0.48502925600722 0.17754284041210 15.999 3 O 0.32320243363478 0.01497074399278 0.17754284041210 15.999 4 O 0.67679756636522 0.51497074399278 0.82245715958790 15.999 *5 O 0.18603847647185 0.75000000000000 0.61617781175879 15.999 6 O 0.81396152352815 0.25000000000000 0.38382218824122 15.999 *7 Se 0.43317774765450 0.25000000000000 0.34167751734999 78.960 8 Se 0.56682225234550 0.75000000000000 0.65832248265001 78.960 *9 Ba 0.84177559824903 0.75000000000000 0.20652296660740 137.327 10 Ba 0.15822440175097 0.25000000000000 0.79347703339260 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.679764573867628 0.000000000000000 0.000000000000000 b 0.000000000000000 5.660136280000000 0.000000000000000 c -2.006345684136095 0.000000000000000 6.529980241546341 Atomic positions (fractional): *1 O 0.67679756636522 0.98502925600722 0.82245715958790 15.999 > 1 2 O 0.32320243363478 0.48502925600722 0.17754284041210 15.999 > 2 3 O 0.32320243363478 0.01497074399278 0.17754284041210 15.999 > 3 4 O 0.67679756636522 0.51497074399278 0.82245715958790 15.999 > 4 *5 O 0.18603847647185 0.75000000000000 0.61617781175879 15.999 > 5 6 O 0.81396152352815 0.25000000000000 0.38382218824122 15.999 > 6 *7 Se 0.43317774765450 0.25000000000000 0.34167751734999 78.960 > 7 8 Se 0.56682225234550 0.75000000000000 0.65832248265001 78.960 > 8 *9 Ba 0.84177559824903 0.75000000000000 0.20652296660740 137.327 > 9 10 Ba 0.15822440175097 0.25000000000000 0.79347703339260 137.327 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.039293721602883 0.000000000000000 0.000000000000000 b 0.000000000000000 11.320272559999999 0.000000000000000 c -4.012691368272190 0.000000000000000 13.059960483092683 Atomic positions (fractional): *1 O 0.22559918878841 0.49251462800361 0.41122857979395 15.999 > 1 2 O 0.55893252212174 0.49251462800361 0.41122857979395 15.999 > 1 3 O 0.89226585545507 0.49251462800361 0.41122857979395 15.999 > 1 4 O 0.22559918878841 0.99251462800361 0.41122857979395 15.999 > 1 5 O 0.55893252212174 0.99251462800361 0.41122857979395 15.999 > 1 6 O 0.89226585545507 0.99251462800361 0.41122857979395 15.999 > 1 7 O 0.22559918878841 0.49251462800361 0.91122857979395 15.999 > 1 8 O 0.55893252212174 0.49251462800361 0.91122857979395 15.999 > 1 9 O 0.89226585545507 0.49251462800361 0.91122857979395 15.999 > 1 10 O 0.22559918878841 0.99251462800361 0.91122857979395 15.999 > 1 11 O 0.55893252212174 0.99251462800361 0.91122857979395 15.999 > 1 12 O 0.89226585545507 0.99251462800361 0.91122857979395 15.999 > 1 13 O 0.10773414454493 0.24251462800361 0.08877142020605 15.999 > 2 14 O 0.44106747787826 0.24251462800361 0.08877142020605 15.999 > 2 15 O 0.77440081121159 0.24251462800361 0.08877142020605 15.999 > 2 16 O 0.10773414454493 0.74251462800361 0.08877142020605 15.999 > 2 17 O 0.44106747787826 0.74251462800361 0.08877142020605 15.999 > 2 18 O 0.77440081121159 0.74251462800361 0.08877142020605 15.999 > 2 19 O 0.10773414454493 0.24251462800361 0.58877142020605 15.999 > 2 20 O 0.44106747787826 0.24251462800361 0.58877142020605 15.999 > 2 21 O 0.77440081121159 0.24251462800361 0.58877142020605 15.999 > 2 22 O 0.10773414454493 0.74251462800361 0.58877142020605 15.999 > 2 23 O 0.44106747787826 0.74251462800361 0.58877142020605 15.999 > 2 24 O 0.77440081121159 0.74251462800361 0.58877142020605 15.999 > 2 25 O 0.10773414454493 0.00748537199639 0.08877142020605 15.999 > 3 26 O 0.44106747787826 0.00748537199639 0.08877142020605 15.999 > 3 27 O 0.77440081121159 0.00748537199639 0.08877142020605 15.999 > 3 28 O 0.10773414454493 0.50748537199639 0.08877142020605 15.999 > 3 29 O 0.44106747787826 0.50748537199639 0.08877142020605 15.999 > 3 30 O 0.77440081121159 0.50748537199639 0.08877142020605 15.999 > 3 31 O 0.10773414454493 0.00748537199639 0.58877142020605 15.999 > 3 32 O 0.44106747787826 0.00748537199639 0.58877142020605 15.999 > 3 33 O 0.77440081121159 0.00748537199639 0.58877142020605 15.999 > 3 34 O 0.10773414454493 0.50748537199639 0.58877142020605 15.999 > 3 35 O 0.44106747787826 0.50748537199639 0.58877142020605 15.999 > 3 36 O 0.77440081121159 0.50748537199639 0.58877142020605 15.999 > 3 37 O 0.22559918878841 0.25748537199639 0.41122857979395 15.999 > 4 38 O 0.55893252212174 0.25748537199639 0.41122857979395 15.999 > 4 39 O 0.89226585545507 0.25748537199639 0.41122857979395 15.999 > 4 40 O 0.22559918878841 0.75748537199639 0.41122857979395 15.999 > 4 41 O 0.55893252212174 0.75748537199639 0.41122857979395 15.999 > 4 42 O 0.89226585545507 0.75748537199639 0.41122857979395 15.999 > 4 43 O 0.22559918878841 0.25748537199639 0.91122857979395 15.999 > 4 44 O 0.55893252212174 0.25748537199639 0.91122857979395 15.999 > 4 45 O 0.89226585545507 0.25748537199639 0.91122857979395 15.999 > 4 46 O 0.22559918878841 0.75748537199639 0.91122857979395 15.999 > 4 47 O 0.55893252212174 0.75748537199639 0.91122857979395 15.999 > 4 48 O 0.89226585545507 0.75748537199639 0.91122857979395 15.999 > 4 *49 O 0.06201282549062 0.37500000000000 0.30808890587939 15.999 > 5 50 O 0.39534615882395 0.37500000000000 0.30808890587939 15.999 > 5 51 O 0.72867949215728 0.37500000000000 0.30808890587939 15.999 > 5 52 O 0.06201282549062 0.87500000000000 0.30808890587939 15.999 > 5 53 O 0.39534615882395 0.87500000000000 0.30808890587939 15.999 > 5 54 O 0.72867949215728 0.87500000000000 0.30808890587939 15.999 > 5 55 O 0.06201282549062 0.37500000000000 0.80808890587939 15.999 > 5 56 O 0.39534615882395 0.37500000000000 0.80808890587939 15.999 > 5 57 O 0.72867949215728 0.37500000000000 0.80808890587939 15.999 > 5 58 O 0.06201282549062 0.87500000000000 0.80808890587939 15.999 > 5 59 O 0.39534615882395 0.87500000000000 0.80808890587939 15.999 > 5 60 O 0.72867949215728 0.87500000000000 0.80808890587939 15.999 > 5 61 O 0.27132050784272 0.12500000000000 0.19191109412061 15.999 > 6 62 O 0.60465384117605 0.12500000000000 0.19191109412061 15.999 > 6 63 O 0.93798717450938 0.12500000000000 0.19191109412061 15.999 > 6 64 O 0.27132050784272 0.62500000000000 0.19191109412061 15.999 > 6 65 O 0.60465384117605 0.62500000000000 0.19191109412061 15.999 > 6 66 O 0.93798717450938 0.62500000000000 0.19191109412061 15.999 > 6 67 O 0.27132050784272 0.12500000000000 0.69191109412061 15.999 > 6 68 O 0.60465384117605 0.12500000000000 0.69191109412061 15.999 > 6 69 O 0.93798717450938 0.12500000000000 0.69191109412061 15.999 > 6 70 O 0.27132050784272 0.62500000000000 0.69191109412061 15.999 > 6 71 O 0.60465384117605 0.62500000000000 0.69191109412061 15.999 > 6 72 O 0.93798717450938 0.62500000000000 0.69191109412061 15.999 > 6 *73 Se 0.14439258255150 0.12500000000000 0.17083875867500 78.960 > 7 74 Se 0.47772591588483 0.12500000000000 0.17083875867500 78.960 > 7 75 Se 0.81105924921817 0.12500000000000 0.17083875867500 78.960 > 7 76 Se 0.14439258255150 0.62500000000000 0.17083875867500 78.960 > 7 77 Se 0.47772591588483 0.62500000000000 0.17083875867500 78.960 > 7 78 Se 0.81105924921817 0.62500000000000 0.17083875867500 78.960 > 7 79 Se 0.14439258255150 0.12500000000000 0.67083875867500 78.960 > 7 80 Se 0.47772591588483 0.12500000000000 0.67083875867500 78.960 > 7 81 Se 0.81105924921817 0.12500000000000 0.67083875867500 78.960 > 7 82 Se 0.14439258255150 0.62500000000000 0.67083875867500 78.960 > 7 83 Se 0.47772591588483 0.62500000000000 0.67083875867500 78.960 > 7 84 Se 0.81105924921817 0.62500000000000 0.67083875867500 78.960 > 7 85 Se 0.18894075078183 0.37500000000000 0.32916124132500 78.960 > 8 86 Se 0.52227408411517 0.37500000000000 0.32916124132500 78.960 > 8 87 Se 0.85560741744850 0.37500000000000 0.32916124132500 78.960 > 8 88 Se 0.18894075078183 0.87500000000000 0.32916124132500 78.960 > 8 89 Se 0.52227408411517 0.87500000000000 0.32916124132500 78.960 > 8 90 Se 0.85560741744850 0.87500000000000 0.32916124132500 78.960 > 8 91 Se 0.18894075078183 0.37500000000000 0.82916124132500 78.960 > 8 92 Se 0.52227408411517 0.37500000000000 0.82916124132500 78.960 > 8 93 Se 0.85560741744850 0.37500000000000 0.82916124132500 78.960 > 8 94 Se 0.18894075078183 0.87500000000000 0.82916124132500 78.960 > 8 95 Se 0.52227408411517 0.87500000000000 0.82916124132500 78.960 > 8 96 Se 0.85560741744850 0.87500000000000 0.82916124132500 78.960 > 8 *97 Ba 0.28059186608301 0.37500000000000 0.10326148330370 137.327 > 9 98 Ba 0.61392519941634 0.37500000000000 0.10326148330370 137.327 > 9 99 Ba 0.94725853274968 0.37500000000000 0.10326148330370 137.327 > 9 100 Ba 0.28059186608301 0.87500000000000 0.10326148330370 137.327 > 9 101 Ba 0.61392519941634 0.87500000000000 0.10326148330370 137.327 > 9 102 Ba 0.94725853274968 0.87500000000000 0.10326148330370 137.327 > 9 103 Ba 0.28059186608301 0.37500000000000 0.60326148330370 137.327 > 9 104 Ba 0.61392519941634 0.37500000000000 0.60326148330370 137.327 > 9 105 Ba 0.94725853274968 0.37500000000000 0.60326148330370 137.327 > 9 106 Ba 0.28059186608301 0.87500000000000 0.60326148330370 137.327 > 9 107 Ba 0.61392519941634 0.87500000000000 0.60326148330370 137.327 > 9 108 Ba 0.94725853274968 0.87500000000000 0.60326148330370 137.327 > 9 109 Ba 0.05274146725032 0.12500000000000 0.39673851669630 137.327 > 10 110 Ba 0.38607480058366 0.12500000000000 0.39673851669630 137.327 > 10 111 Ba 0.71940813391699 0.12500000000000 0.39673851669630 137.327 > 10 112 Ba 0.05274146725032 0.62500000000000 0.39673851669630 137.327 > 10 113 Ba 0.38607480058366 0.62500000000000 0.39673851669630 137.327 > 10 114 Ba 0.71940813391699 0.62500000000000 0.39673851669630 137.327 > 10 115 Ba 0.05274146725032 0.12500000000000 0.89673851669630 137.327 > 10 116 Ba 0.38607480058366 0.12500000000000 0.89673851669630 137.327 > 10 117 Ba 0.71940813391699 0.12500000000000 0.89673851669630 137.327 > 10 118 Ba 0.05274146725032 0.62500000000000 0.89673851669630 137.327 > 10 119 Ba 0.38607480058366 0.62500000000000 0.89673851669630 137.327 > 10 120 Ba 0.71940813391699 0.62500000000000 0.89673851669630 137.327 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5689455 0.0000000 0.1797551 0.0000000 3.5630375 0.0000000 0.1797552 0.0000000 3.3375721 -------------------------- Born effective charges -------------------------- 1 O -1.3278955 -0.3139272 -0.3106677 -0.0779500 -2.1630925 -0.7476936 -0.0455850 -0.2841144 -1.6996689 2 O -1.3278955 0.3139272 -0.3106677 0.0779500 -2.1630925 0.7476936 -0.0455850 0.2841144 -1.6996689 3 O -1.3278955 -0.3139272 -0.3106677 -0.0779500 -2.1630925 -0.7476936 -0.0455850 -0.2841144 -1.6996689 4 O -1.3278955 0.3139272 -0.3106677 0.0779500 -2.1630925 0.7476936 -0.0455850 0.2841144 -1.6996689 5 O -2.5857680 0.0000000 -0.2351589 0.0000000 -1.2629877 0.0000000 -0.6830715 0.0000000 -1.2706004 6 O -2.5857680 0.0000000 -0.2351589 0.0000000 -1.2629877 0.0000000 -0.6830715 0.0000000 -1.2706004 7 Se 2.4386121 0.0000000 0.7071945 0.0000000 2.9058374 0.0000000 0.7019340 0.0000000 1.8822507 8 Se 2.4386121 0.0000000 0.7071945 0.0000000 2.9058374 0.0000000 0.7019340 0.0000000 1.8822507 9 Ba 2.8029469 0.0000000 0.1492998 0.0000000 2.6833354 0.0000000 0.0723074 0.0000000 2.7876874 10 Ba 2.8029469 0.0000000 0.1492998 0.0000000 2.6833354 0.0000000 0.0723074 0.0000000 2.7876874 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1452 Number of blocks in projector: 1452 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: 354 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 202 Use standard eigh solver. Tree of FC basis block matrices: - (1452, 1429), data: False |-- (202, 198), data: True |-- (202, 198), data: True |-- (202, 198), data: True |-- (246, 244), data: True |-- (246, 244), data: True |-- (354, 347), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.021 Solver_block: 200 / 320 - Time: 2.045 Solver_block: 300 / 320 - Time: 2.046 Solver_block: 320 / 320 - Time: 0.481 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.625 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1452 Number of blocks in projector: 1452 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: 354 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 202 Use standard eigh solver. Tree of FC basis block matrices: - (1452, 1429), data: False |-- (202, 198), data: True |-- (202, 198), data: True |-- (202, 198), data: True |-- (246, 244), data: True |-- (246, 244), data: True |-- (354, 347), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:11:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:11:41]------------------------- 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): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.679764573867628 0.000000000000000 0.000000000000000 b 0.000000000000000 5.660136280000000 0.000000000000000 c -2.006345684136095 0.000000000000000 6.529980241546341 Atomic positions (fractional): 1 O 0.67679756636522 0.98502925600722 0.82245715958790 15.999 2 O 0.32320243363478 0.48502925600722 0.17754284041210 15.999 3 O 0.32320243363478 0.01497074399278 0.17754284041210 15.999 4 O 0.67679756636522 0.51497074399278 0.82245715958790 15.999 5 O 0.18603847647185 0.75000000000000 0.61617781175879 15.999 6 O 0.81396152352815 0.25000000000000 0.38382218824122 15.999 7 Se 0.43317774765450 0.25000000000000 0.34167751734999 78.960 8 Se 0.56682225234550 0.75000000000000 0.65832248265001 78.960 9 Ba 0.84177559824903 0.75000000000000 0.20652296660740 137.327 10 Ba 0.15822440175097 0.25000000000000 0.79347703339260 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.039293721602883 0.000000000000000 0.000000000000000 b 0.000000000000000 11.320272559999999 0.000000000000000 c -4.012691368272190 0.000000000000000 13.059960483092683 Atomic positions (fractional): 1 O 0.22559918878841 0.49251462800361 0.41122857979395 15.999 > 1 2 O 0.55893252212174 0.49251462800361 0.41122857979395 15.999 > 1 3 O 0.89226585545507 0.49251462800361 0.41122857979395 15.999 > 1 4 O 0.22559918878841 0.99251462800361 0.41122857979395 15.999 > 1 5 O 0.55893252212174 0.99251462800361 0.41122857979395 15.999 > 1 6 O 0.89226585545507 0.99251462800361 0.41122857979395 15.999 > 1 7 O 0.22559918878841 0.49251462800361 0.91122857979395 15.999 > 1 8 O 0.55893252212174 0.49251462800361 0.91122857979395 15.999 > 1 9 O 0.89226585545507 0.49251462800361 0.91122857979395 15.999 > 1 10 O 0.22559918878841 0.99251462800361 0.91122857979395 15.999 > 1 11 O 0.55893252212174 0.99251462800361 0.91122857979395 15.999 > 1 12 O 0.89226585545507 0.99251462800361 0.91122857979395 15.999 > 1 13 O 0.10773414454493 0.24251462800361 0.08877142020605 15.999 > 13 14 O 0.44106747787826 0.24251462800361 0.08877142020605 15.999 > 13 15 O 0.77440081121159 0.24251462800361 0.08877142020605 15.999 > 13 16 O 0.10773414454493 0.74251462800361 0.08877142020605 15.999 > 13 17 O 0.44106747787826 0.74251462800361 0.08877142020605 15.999 > 13 18 O 0.77440081121159 0.74251462800361 0.08877142020605 15.999 > 13 19 O 0.10773414454493 0.24251462800361 0.58877142020605 15.999 > 13 20 O 0.44106747787826 0.24251462800361 0.58877142020605 15.999 > 13 21 O 0.77440081121159 0.24251462800361 0.58877142020605 15.999 > 13 22 O 0.10773414454493 0.74251462800361 0.58877142020605 15.999 > 13 23 O 0.44106747787826 0.74251462800361 0.58877142020605 15.999 > 13 24 O 0.77440081121159 0.74251462800361 0.58877142020605 15.999 > 13 25 O 0.10773414454493 0.00748537199639 0.08877142020605 15.999 > 25 26 O 0.44106747787826 0.00748537199639 0.08877142020605 15.999 > 25 27 O 0.77440081121159 0.00748537199639 0.08877142020605 15.999 > 25 28 O 0.10773414454493 0.50748537199639 0.08877142020605 15.999 > 25 29 O 0.44106747787826 0.50748537199639 0.08877142020605 15.999 > 25 30 O 0.77440081121159 0.50748537199639 0.08877142020605 15.999 > 25 31 O 0.10773414454493 0.00748537199639 0.58877142020605 15.999 > 25 32 O 0.44106747787826 0.00748537199639 0.58877142020605 15.999 > 25 33 O 0.77440081121159 0.00748537199639 0.58877142020605 15.999 > 25 34 O 0.10773414454493 0.50748537199639 0.58877142020605 15.999 > 25 35 O 0.44106747787826 0.50748537199639 0.58877142020605 15.999 > 25 36 O 0.77440081121159 0.50748537199639 0.58877142020605 15.999 > 25 37 O 0.22559918878841 0.25748537199639 0.41122857979395 15.999 > 37 38 O 0.55893252212174 0.25748537199639 0.41122857979395 15.999 > 37 39 O 0.89226585545507 0.25748537199639 0.41122857979395 15.999 > 37 40 O 0.22559918878841 0.75748537199639 0.41122857979395 15.999 > 37 41 O 0.55893252212174 0.75748537199639 0.41122857979395 15.999 > 37 42 O 0.89226585545507 0.75748537199639 0.41122857979395 15.999 > 37 43 O 0.22559918878841 0.25748537199639 0.91122857979395 15.999 > 37 44 O 0.55893252212174 0.25748537199639 0.91122857979395 15.999 > 37 45 O 0.89226585545507 0.25748537199639 0.91122857979395 15.999 > 37 46 O 0.22559918878841 0.75748537199639 0.91122857979395 15.999 > 37 47 O 0.55893252212174 0.75748537199639 0.91122857979395 15.999 > 37 48 O 0.89226585545507 0.75748537199639 0.91122857979395 15.999 > 37 49 O 0.06201282549062 0.37500000000000 0.30808890587939 15.999 > 49 50 O 0.39534615882395 0.37500000000000 0.30808890587939 15.999 > 49 51 O 0.72867949215728 0.37500000000000 0.30808890587939 15.999 > 49 52 O 0.06201282549062 0.87500000000000 0.30808890587939 15.999 > 49 53 O 0.39534615882395 0.87500000000000 0.30808890587939 15.999 > 49 54 O 0.72867949215728 0.87500000000000 0.30808890587939 15.999 > 49 55 O 0.06201282549062 0.37500000000000 0.80808890587939 15.999 > 49 56 O 0.39534615882395 0.37500000000000 0.80808890587939 15.999 > 49 57 O 0.72867949215728 0.37500000000000 0.80808890587939 15.999 > 49 58 O 0.06201282549062 0.87500000000000 0.80808890587939 15.999 > 49 59 O 0.39534615882395 0.87500000000000 0.80808890587939 15.999 > 49 60 O 0.72867949215728 0.87500000000000 0.80808890587939 15.999 > 49 61 O 0.27132050784272 0.12500000000000 0.19191109412061 15.999 > 61 62 O 0.60465384117605 0.12500000000000 0.19191109412061 15.999 > 61 63 O 0.93798717450938 0.12500000000000 0.19191109412061 15.999 > 61 64 O 0.27132050784272 0.62500000000000 0.19191109412061 15.999 > 61 65 O 0.60465384117605 0.62500000000000 0.19191109412061 15.999 > 61 66 O 0.93798717450938 0.62500000000000 0.19191109412061 15.999 > 61 67 O 0.27132050784272 0.12500000000000 0.69191109412061 15.999 > 61 68 O 0.60465384117605 0.12500000000000 0.69191109412061 15.999 > 61 69 O 0.93798717450938 0.12500000000000 0.69191109412061 15.999 > 61 70 O 0.27132050784272 0.62500000000000 0.69191109412061 15.999 > 61 71 O 0.60465384117605 0.62500000000000 0.69191109412061 15.999 > 61 72 O 0.93798717450938 0.62500000000000 0.69191109412061 15.999 > 61 73 Se 0.14439258255150 0.12500000000000 0.17083875867500 78.960 > 73 74 Se 0.47772591588483 0.12500000000000 0.17083875867500 78.960 > 73 75 Se 0.81105924921817 0.12500000000000 0.17083875867500 78.960 > 73 76 Se 0.14439258255150 0.62500000000000 0.17083875867500 78.960 > 73 77 Se 0.47772591588483 0.62500000000000 0.17083875867500 78.960 > 73 78 Se 0.81105924921817 0.62500000000000 0.17083875867500 78.960 > 73 79 Se 0.14439258255150 0.12500000000000 0.67083875867500 78.960 > 73 80 Se 0.47772591588483 0.12500000000000 0.67083875867500 78.960 > 73 81 Se 0.81105924921817 0.12500000000000 0.67083875867500 78.960 > 73 82 Se 0.14439258255150 0.62500000000000 0.67083875867500 78.960 > 73 83 Se 0.47772591588483 0.62500000000000 0.67083875867500 78.960 > 73 84 Se 0.81105924921817 0.62500000000000 0.67083875867500 78.960 > 73 85 Se 0.18894075078183 0.37500000000000 0.32916124132500 78.960 > 85 86 Se 0.52227408411517 0.37500000000000 0.32916124132500 78.960 > 85 87 Se 0.85560741744850 0.37500000000000 0.32916124132500 78.960 > 85 88 Se 0.18894075078183 0.87500000000000 0.32916124132500 78.960 > 85 89 Se 0.52227408411517 0.87500000000000 0.32916124132500 78.960 > 85 90 Se 0.85560741744850 0.87500000000000 0.32916124132500 78.960 > 85 91 Se 0.18894075078183 0.37500000000000 0.82916124132500 78.960 > 85 92 Se 0.52227408411517 0.37500000000000 0.82916124132500 78.960 > 85 93 Se 0.85560741744850 0.37500000000000 0.82916124132500 78.960 > 85 94 Se 0.18894075078183 0.87500000000000 0.82916124132500 78.960 > 85 95 Se 0.52227408411517 0.87500000000000 0.82916124132500 78.960 > 85 96 Se 0.85560741744850 0.87500000000000 0.82916124132500 78.960 > 85 97 Ba 0.28059186608301 0.37500000000000 0.10326148330370 137.327 > 97 98 Ba 0.61392519941634 0.37500000000000 0.10326148330370 137.327 > 97 99 Ba 0.94725853274968 0.37500000000000 0.10326148330370 137.327 > 97 100 Ba 0.28059186608301 0.87500000000000 0.10326148330370 137.327 > 97 101 Ba 0.61392519941634 0.87500000000000 0.10326148330370 137.327 > 97 102 Ba 0.94725853274968 0.87500000000000 0.10326148330370 137.327 > 97 103 Ba 0.28059186608301 0.37500000000000 0.60326148330370 137.327 > 97 104 Ba 0.61392519941634 0.37500000000000 0.60326148330370 137.327 > 97 105 Ba 0.94725853274968 0.37500000000000 0.60326148330370 137.327 > 97 106 Ba 0.28059186608301 0.87500000000000 0.60326148330370 137.327 > 97 107 Ba 0.61392519941634 0.87500000000000 0.60326148330370 137.327 > 97 108 Ba 0.94725853274968 0.87500000000000 0.60326148330370 137.327 > 97 109 Ba 0.05274146725032 0.12500000000000 0.39673851669630 137.327 > 109 110 Ba 0.38607480058366 0.12500000000000 0.39673851669630 137.327 > 109 111 Ba 0.71940813391699 0.12500000000000 0.39673851669630 137.327 > 109 112 Ba 0.05274146725032 0.62500000000000 0.39673851669630 137.327 > 109 113 Ba 0.38607480058366 0.62500000000000 0.39673851669630 137.327 > 109 114 Ba 0.71940813391699 0.62500000000000 0.39673851669630 137.327 > 109 115 Ba 0.05274146725032 0.12500000000000 0.89673851669630 137.327 > 109 116 Ba 0.38607480058366 0.12500000000000 0.89673851669630 137.327 > 109 117 Ba 0.71940813391699 0.12500000000000 0.89673851669630 137.327 > 109 118 Ba 0.05274146725032 0.62500000000000 0.89673851669630 137.327 > 109 119 Ba 0.38607480058366 0.62500000000000 0.89673851669630 137.327 > 109 120 Ba 0.71940813391699 0.62500000000000 0.89673851669630 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5689455 0.0000000 0.1797551 0.0000000 3.5630375 0.0000000 0.1797552 0.0000000 3.3375721 -------------------------- Born effective charges -------------------------- 1 O -1.3278955 -0.3139272 -0.3106677 -0.0779500 -2.1630925 -0.7476936 -0.0455850 -0.2841144 -1.6996689 2 O -1.3278955 0.3139272 -0.3106677 0.0779500 -2.1630925 0.7476936 -0.0455850 0.2841144 -1.6996689 3 O -1.3278955 -0.3139272 -0.3106677 -0.0779500 -2.1630925 -0.7476936 -0.0455850 -0.2841144 -1.6996689 4 O -1.3278955 0.3139272 -0.3106677 0.0779500 -2.1630925 0.7476936 -0.0455850 0.2841144 -1.6996689 5 O -2.5857680 0.0000000 -0.2351589 0.0000000 -1.2629877 0.0000000 -0.6830715 0.0000000 -1.2706004 6 O -2.5857680 0.0000000 -0.2351589 0.0000000 -1.2629877 0.0000000 -0.6830715 0.0000000 -1.2706004 7 Se 2.4386121 0.0000000 0.7071945 0.0000000 2.9058374 0.0000000 0.7019340 0.0000000 1.8822507 8 Se 2.4386121 0.0000000 0.7071945 0.0000000 2.9058374 0.0000000 0.7019340 0.0000000 1.8822507 9 Ba 2.8029469 0.0000000 0.1492998 0.0000000 2.6833354 0.0000000 0.0723074 0.0000000 2.7876874 10 Ba 2.8029469 0.0000000 0.1492998 0.0000000 2.6833354 0.0000000 0.0723074 0.0000000 2.7876874 ---------------------------------------------------------------------------- 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:11:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:11:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.679764573867628 0.000000000000000 0.000000000000000 b 0.000000000000000 5.660136280000000 0.000000000000000 c -2.006345684136095 0.000000000000000 6.529980241546341 Atomic positions (fractional): 1 O 0.67679756636522 0.98502925600722 0.82245715958790 15.999 2 O 0.32320243363478 0.48502925600722 0.17754284041210 15.999 3 O 0.32320243363478 0.01497074399278 0.17754284041210 15.999 4 O 0.67679756636522 0.51497074399278 0.82245715958790 15.999 5 O 0.18603847647185 0.75000000000000 0.61617781175879 15.999 6 O 0.81396152352815 0.25000000000000 0.38382218824122 15.999 7 Se 0.43317774765450 0.25000000000000 0.34167751734999 78.960 8 Se 0.56682225234550 0.75000000000000 0.65832248265001 78.960 9 Ba 0.84177559824903 0.75000000000000 0.20652296660740 137.327 10 Ba 0.15822440175097 0.25000000000000 0.79347703339260 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.039293721602883 0.000000000000000 0.000000000000000 b 0.000000000000000 11.320272559999999 0.000000000000000 c -4.012691368272190 0.000000000000000 13.059960483092683 Atomic positions (fractional): 1 O 0.22559918878841 0.49251462800361 0.41122857979395 15.999 > 1 2 O 0.55893252212174 0.49251462800361 0.41122857979395 15.999 > 1 3 O 0.89226585545507 0.49251462800361 0.41122857979395 15.999 > 1 4 O 0.22559918878841 0.99251462800361 0.41122857979395 15.999 > 1 5 O 0.55893252212174 0.99251462800361 0.41122857979395 15.999 > 1 6 O 0.89226585545507 0.99251462800361 0.41122857979395 15.999 > 1 7 O 0.22559918878841 0.49251462800361 0.91122857979395 15.999 > 1 8 O 0.55893252212174 0.49251462800361 0.91122857979395 15.999 > 1 9 O 0.89226585545507 0.49251462800361 0.91122857979395 15.999 > 1 10 O 0.22559918878841 0.99251462800361 0.91122857979395 15.999 > 1 11 O 0.55893252212174 0.99251462800361 0.91122857979395 15.999 > 1 12 O 0.89226585545507 0.99251462800361 0.91122857979395 15.999 > 1 13 O 0.10773414454493 0.24251462800361 0.08877142020605 15.999 > 13 14 O 0.44106747787826 0.24251462800361 0.08877142020605 15.999 > 13 15 O 0.77440081121159 0.24251462800361 0.08877142020605 15.999 > 13 16 O 0.10773414454493 0.74251462800361 0.08877142020605 15.999 > 13 17 O 0.44106747787826 0.74251462800361 0.08877142020605 15.999 > 13 18 O 0.77440081121159 0.74251462800361 0.08877142020605 15.999 > 13 19 O 0.10773414454493 0.24251462800361 0.58877142020605 15.999 > 13 20 O 0.44106747787826 0.24251462800361 0.58877142020605 15.999 > 13 21 O 0.77440081121159 0.24251462800361 0.58877142020605 15.999 > 13 22 O 0.10773414454493 0.74251462800361 0.58877142020605 15.999 > 13 23 O 0.44106747787826 0.74251462800361 0.58877142020605 15.999 > 13 24 O 0.77440081121159 0.74251462800361 0.58877142020605 15.999 > 13 25 O 0.10773414454493 0.00748537199639 0.08877142020605 15.999 > 25 26 O 0.44106747787826 0.00748537199639 0.08877142020605 15.999 > 25 27 O 0.77440081121159 0.00748537199639 0.08877142020605 15.999 > 25 28 O 0.10773414454493 0.50748537199639 0.08877142020605 15.999 > 25 29 O 0.44106747787826 0.50748537199639 0.08877142020605 15.999 > 25 30 O 0.77440081121159 0.50748537199639 0.08877142020605 15.999 > 25 31 O 0.10773414454493 0.00748537199639 0.58877142020605 15.999 > 25 32 O 0.44106747787826 0.00748537199639 0.58877142020605 15.999 > 25 33 O 0.77440081121159 0.00748537199639 0.58877142020605 15.999 > 25 34 O 0.10773414454493 0.50748537199639 0.58877142020605 15.999 > 25 35 O 0.44106747787826 0.50748537199639 0.58877142020605 15.999 > 25 36 O 0.77440081121159 0.50748537199639 0.58877142020605 15.999 > 25 37 O 0.22559918878841 0.25748537199639 0.41122857979395 15.999 > 37 38 O 0.55893252212174 0.25748537199639 0.41122857979395 15.999 > 37 39 O 0.89226585545507 0.25748537199639 0.41122857979395 15.999 > 37 40 O 0.22559918878841 0.75748537199639 0.41122857979395 15.999 > 37 41 O 0.55893252212174 0.75748537199639 0.41122857979395 15.999 > 37 42 O 0.89226585545507 0.75748537199639 0.41122857979395 15.999 > 37 43 O 0.22559918878841 0.25748537199639 0.91122857979395 15.999 > 37 44 O 0.55893252212174 0.25748537199639 0.91122857979395 15.999 > 37 45 O 0.89226585545507 0.25748537199639 0.91122857979395 15.999 > 37 46 O 0.22559918878841 0.75748537199639 0.91122857979395 15.999 > 37 47 O 0.55893252212174 0.75748537199639 0.91122857979395 15.999 > 37 48 O 0.89226585545507 0.75748537199639 0.91122857979395 15.999 > 37 49 O 0.06201282549062 0.37500000000000 0.30808890587939 15.999 > 49 50 O 0.39534615882395 0.37500000000000 0.30808890587939 15.999 > 49 51 O 0.72867949215728 0.37500000000000 0.30808890587939 15.999 > 49 52 O 0.06201282549062 0.87500000000000 0.30808890587939 15.999 > 49 53 O 0.39534615882395 0.87500000000000 0.30808890587939 15.999 > 49 54 O 0.72867949215728 0.87500000000000 0.30808890587939 15.999 > 49 55 O 0.06201282549062 0.37500000000000 0.80808890587939 15.999 > 49 56 O 0.39534615882395 0.37500000000000 0.80808890587939 15.999 > 49 57 O 0.72867949215728 0.37500000000000 0.80808890587939 15.999 > 49 58 O 0.06201282549062 0.87500000000000 0.80808890587939 15.999 > 49 59 O 0.39534615882395 0.87500000000000 0.80808890587939 15.999 > 49 60 O 0.72867949215728 0.87500000000000 0.80808890587939 15.999 > 49 61 O 0.27132050784272 0.12500000000000 0.19191109412061 15.999 > 61 62 O 0.60465384117605 0.12500000000000 0.19191109412061 15.999 > 61 63 O 0.93798717450938 0.12500000000000 0.19191109412061 15.999 > 61 64 O 0.27132050784272 0.62500000000000 0.19191109412061 15.999 > 61 65 O 0.60465384117605 0.62500000000000 0.19191109412061 15.999 > 61 66 O 0.93798717450938 0.62500000000000 0.19191109412061 15.999 > 61 67 O 0.27132050784272 0.12500000000000 0.69191109412061 15.999 > 61 68 O 0.60465384117605 0.12500000000000 0.69191109412061 15.999 > 61 69 O 0.93798717450938 0.12500000000000 0.69191109412061 15.999 > 61 70 O 0.27132050784272 0.62500000000000 0.69191109412061 15.999 > 61 71 O 0.60465384117605 0.62500000000000 0.69191109412061 15.999 > 61 72 O 0.93798717450938 0.62500000000000 0.69191109412061 15.999 > 61 73 Se 0.14439258255150 0.12500000000000 0.17083875867500 78.960 > 73 74 Se 0.47772591588483 0.12500000000000 0.17083875867500 78.960 > 73 75 Se 0.81105924921817 0.12500000000000 0.17083875867500 78.960 > 73 76 Se 0.14439258255150 0.62500000000000 0.17083875867500 78.960 > 73 77 Se 0.47772591588483 0.62500000000000 0.17083875867500 78.960 > 73 78 Se 0.81105924921817 0.62500000000000 0.17083875867500 78.960 > 73 79 Se 0.14439258255150 0.12500000000000 0.67083875867500 78.960 > 73 80 Se 0.47772591588483 0.12500000000000 0.67083875867500 78.960 > 73 81 Se 0.81105924921817 0.12500000000000 0.67083875867500 78.960 > 73 82 Se 0.14439258255150 0.62500000000000 0.67083875867500 78.960 > 73 83 Se 0.47772591588483 0.62500000000000 0.67083875867500 78.960 > 73 84 Se 0.81105924921817 0.62500000000000 0.67083875867500 78.960 > 73 85 Se 0.18894075078183 0.37500000000000 0.32916124132500 78.960 > 85 86 Se 0.52227408411517 0.37500000000000 0.32916124132500 78.960 > 85 87 Se 0.85560741744850 0.37500000000000 0.32916124132500 78.960 > 85 88 Se 0.18894075078183 0.87500000000000 0.32916124132500 78.960 > 85 89 Se 0.52227408411517 0.87500000000000 0.32916124132500 78.960 > 85 90 Se 0.85560741744850 0.87500000000000 0.32916124132500 78.960 > 85 91 Se 0.18894075078183 0.37500000000000 0.82916124132500 78.960 > 85 92 Se 0.52227408411517 0.37500000000000 0.82916124132500 78.960 > 85 93 Se 0.85560741744850 0.37500000000000 0.82916124132500 78.960 > 85 94 Se 0.18894075078183 0.87500000000000 0.82916124132500 78.960 > 85 95 Se 0.52227408411517 0.87500000000000 0.82916124132500 78.960 > 85 96 Se 0.85560741744850 0.87500000000000 0.82916124132500 78.960 > 85 97 Ba 0.28059186608301 0.37500000000000 0.10326148330370 137.327 > 97 98 Ba 0.61392519941634 0.37500000000000 0.10326148330370 137.327 > 97 99 Ba 0.94725853274968 0.37500000000000 0.10326148330370 137.327 > 97 100 Ba 0.28059186608301 0.87500000000000 0.10326148330370 137.327 > 97 101 Ba 0.61392519941634 0.87500000000000 0.10326148330370 137.327 > 97 102 Ba 0.94725853274968 0.87500000000000 0.10326148330370 137.327 > 97 103 Ba 0.28059186608301 0.37500000000000 0.60326148330370 137.327 > 97 104 Ba 0.61392519941634 0.37500000000000 0.60326148330370 137.327 > 97 105 Ba 0.94725853274968 0.37500000000000 0.60326148330370 137.327 > 97 106 Ba 0.28059186608301 0.87500000000000 0.60326148330370 137.327 > 97 107 Ba 0.61392519941634 0.87500000000000 0.60326148330370 137.327 > 97 108 Ba 0.94725853274968 0.87500000000000 0.60326148330370 137.327 > 97 109 Ba 0.05274146725032 0.12500000000000 0.39673851669630 137.327 > 109 110 Ba 0.38607480058366 0.12500000000000 0.39673851669630 137.327 > 109 111 Ba 0.71940813391699 0.12500000000000 0.39673851669630 137.327 > 109 112 Ba 0.05274146725032 0.62500000000000 0.39673851669630 137.327 > 109 113 Ba 0.38607480058366 0.62500000000000 0.39673851669630 137.327 > 109 114 Ba 0.71940813391699 0.62500000000000 0.39673851669630 137.327 > 109 115 Ba 0.05274146725032 0.12500000000000 0.89673851669630 137.327 > 109 116 Ba 0.38607480058366 0.12500000000000 0.89673851669630 137.327 > 109 117 Ba 0.71940813391699 0.12500000000000 0.89673851669630 137.327 > 109 118 Ba 0.05274146725032 0.62500000000000 0.89673851669630 137.327 > 109 119 Ba 0.38607480058366 0.62500000000000 0.89673851669630 137.327 > 109 120 Ba 0.71940813391699 0.62500000000000 0.89673851669630 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5689455 0.0000000 0.1797551 0.0000000 3.5630375 0.0000000 0.1797552 0.0000000 3.3375721 -------------------------- Born effective charges -------------------------- 1 O -1.3278955 -0.3139272 -0.3106677 -0.0779500 -2.1630925 -0.7476936 -0.0455850 -0.2841144 -1.6996689 2 O -1.3278955 0.3139272 -0.3106677 0.0779500 -2.1630925 0.7476936 -0.0455850 0.2841144 -1.6996689 3 O -1.3278955 -0.3139272 -0.3106677 -0.0779500 -2.1630925 -0.7476936 -0.0455850 -0.2841144 -1.6996689 4 O -1.3278955 0.3139272 -0.3106677 0.0779500 -2.1630925 0.7476936 -0.0455850 0.2841144 -1.6996689 5 O -2.5857680 0.0000000 -0.2351589 0.0000000 -1.2629877 0.0000000 -0.6830715 0.0000000 -1.2706004 6 O -2.5857680 0.0000000 -0.2351589 0.0000000 -1.2629877 0.0000000 -0.6830715 0.0000000 -1.2706004 7 Se 2.4386121 0.0000000 0.7071945 0.0000000 2.9058374 0.0000000 0.7019340 0.0000000 1.8822507 8 Se 2.4386121 0.0000000 0.7071945 0.0000000 2.9058374 0.0000000 0.7019340 0.0000000 1.8822507 9 Ba 2.8029469 0.0000000 0.1492998 0.0000000 2.6833354 0.0000000 0.0723074 0.0000000 2.7876874 10 Ba 2.8029469 0.0000000 0.1492998 0.0000000 2.6833354 0.0000000 0.0723074 0.0000000 2.7876874 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 9 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.75, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/225) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.786 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 5.882 ( 0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 0.000) 0.000 10.396 ( 0.000 0.000 0.000) 0.000 10.563 ( 0.000 0.000 0.000) 0.000 10.891 ( 0.000 0.000 0.000) 0.000 11.242 ( 0.000 0.000 0.000) 0.000 12.304 ( 0.000 0.000 0.000) 0.000 12.697 ( 0.000 0.000 0.000) 0.000 20.716 ( 0.000 0.000 0.000) 0.000 20.930 ( 0.000 0.000 0.000) 0.000 21.264 ( 0.000 0.000 0.000) 0.000 21.416 ( 0.000 0.000 0.000) 0.000 23.163 ( 0.000 0.000 0.000) 0.000 23.436 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/225) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 20.233 0.000 13.440) 24.290 0.569 ( 26.267 0.000 8.035) 27.469 0.832 ( 39.196 0.000 13.612) 41.492 1.954 ( -2.919 0.000 -4.465) 5.335 2.191 ( 10.387 0.000 0.020) 10.387 2.582 ( 6.779 0.000 1.623) 6.971 2.662 ( 0.528 0.000 3.198) 3.241 2.736 ( -4.857 0.000 0.179) 4.860 3.335 ( -0.650 0.000 0.509) 0.825 3.639 ( 5.485 0.000 -13.689) 14.746 3.899 ( -2.196 0.000 -0.428) 2.237 4.520 ( -3.083 0.000 11.640) 12.042 4.613 ( -4.510 0.000 4.456) 6.340 4.677 ( -0.595 0.000 -2.256) 2.333 5.175 ( -0.709 0.000 -0.963) 1.196 5.822 ( -4.813 0.000 -1.127) 4.943 5.846 ( -3.747 0.000 0.443) 3.773 7.091 ( -8.752 0.000 -1.480) 8.876 10.396 ( -0.333 0.000 1.164) 1.210 10.544 ( -1.605 0.000 -1.042) 1.913 10.926 ( 3.363 0.000 -0.529) 3.404 11.696 ( -10.945 0.000 29.939) 31.877 12.444 ( 11.693 0.000 -35.694) 37.560 12.760 ( 4.852 0.000 4.013) 6.296 20.743 ( 2.484 0.000 0.679) 2.575 21.285 ( 2.828 0.000 -2.762) 3.953 21.414 ( -0.077 0.000 -0.610) 0.615 23.018 ( 2.958 0.000 -19.825) 20.045 23.255 ( -18.130 0.000 48.178) 51.477 23.488 ( 0.581 0.000 9.225) 9.243 ======================= Grid point 2 (3/225) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 20.343 0.000 11.698) 23.467 1.105 ( 23.914 0.000 6.970) 24.909 1.683 ( 39.157 0.000 15.199) 42.003 1.880 ( -1.513 0.000 -4.609) 4.851 2.442 ( 13.224 0.000 1.684) 13.331 2.559 ( -8.358 0.000 -6.187) 10.399 2.704 ( 2.062 0.000 3.553) 4.108 2.769 ( 6.363 0.000 5.387) 8.337 3.318 ( -0.861 0.000 -1.229) 1.500 3.678 ( 5.085 0.000 -8.126) 9.586 3.854 ( -1.418 0.000 -1.061) 1.771 4.518 ( -1.601 0.000 2.070) 2.617 4.549 ( -5.032 0.000 5.272) 7.288 4.611 ( -4.878 0.000 -1.253) 5.036 5.155 ( -0.265 0.000 -1.998) 2.016 5.691 ( -7.460 0.000 -1.286) 7.570 5.749 ( -6.171 0.000 0.162) 6.173 6.849 ( -11.995 0.000 -9.721) 15.439 10.395 ( -0.877 0.000 2.116) 2.291 10.493 ( -2.426 0.000 -1.968) 3.124 10.992 ( 3.429 0.000 -1.290) 3.664 11.652 ( -6.077 0.000 11.222) 12.762 12.473 ( 7.077 0.000 -15.598) 17.129 12.913 ( 7.043 0.000 6.645) 9.683 20.817 ( 4.442 0.000 1.286) 4.624 21.329 ( 3.677 0.000 -4.804) 6.050 21.404 ( -0.432 0.000 -1.169) 1.246 22.945 ( -4.385 0.000 1.061) 4.512 23.212 ( -4.464 0.000 11.967) 12.773 23.534 ( -0.337 0.000 4.435) 4.448 ======================= Grid point 3 (4/225) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 19.164 0.000 9.966) 21.601 1.557 ( 17.553 0.000 4.331) 18.080 1.848 ( 1.185 0.000 -2.588) 2.846 2.318 ( -11.384 0.000 -6.292) 13.007 2.468 ( 24.782 0.000 12.558) 27.782 2.663 ( 11.764 0.000 9.833) 15.333 2.829 ( 10.364 0.000 -1.554) 10.479 2.900 ( 4.197 0.000 1.786) 4.561 3.295 ( 0.506 0.000 -3.829) 3.862 3.733 ( 3.584 0.000 -2.101) 4.155 3.846 ( 1.900 0.000 -2.774) 3.362 4.437 ( -7.746 0.000 -2.724) 8.211 4.477 ( -2.730 0.000 -1.710) 3.221 4.538 ( -3.730 0.000 8.837) 9.592 5.146 ( 1.189 0.000 -4.030) 4.202 5.534 ( -8.017 0.000 -0.118) 8.018 5.622 ( -6.401 0.000 -0.502) 6.421 6.533 ( -12.958 0.000 -13.063) 18.400 10.377 ( -2.546 0.000 1.666) 3.043 10.443 ( -1.104 0.000 -1.585) 1.931 11.029 ( 1.213 0.000 -1.777) 2.151 11.601 ( -3.855 0.000 4.533) 5.951 12.531 ( 5.934 0.000 -7.925) 9.901 13.089 ( 6.424 0.000 6.851) 9.391 20.925 ( 5.528 0.000 1.763) 5.802 21.363 ( 2.827 0.000 -5.296) 6.003 21.380 ( -1.221 0.000 -1.633) 2.039 22.865 ( -6.203 0.000 6.751) 9.168 23.232 ( 2.432 0.000 1.315) 2.765 23.529 ( -1.930 0.000 1.948) 2.742 ======================= Grid point 4 (5/225) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -6.000 0.000 -4.036) 7.231 1.796 ( 16.309 0.000 8.100) 18.210 2.012 ( 12.096 0.000 0.609) 12.111 2.115 ( -4.065 0.000 -1.088) 4.208 2.576 ( -3.968 0.000 4.683) 6.138 2.940 ( -0.323 0.000 -0.969) 1.022 2.971 ( 5.381 0.000 -3.141) 6.230 3.207 ( 13.979 0.000 8.515) 16.368 3.367 ( 15.801 0.000 2.093) 15.939 3.791 ( 2.514 0.000 1.256) 2.810 3.883 ( 3.324 0.000 -3.287) 4.675 4.270 ( -6.855 0.000 -2.327) 7.239 4.400 ( -3.424 0.000 -2.982) 4.540 4.551 ( -1.007 0.000 9.617) 9.669 5.153 ( 2.982 0.000 -7.170) 7.765 5.385 ( -7.833 0.000 2.505) 8.224 5.509 ( -4.567 0.000 -0.423) 4.586 6.214 ( -11.399 0.000 -12.210) 16.704 10.324 ( -2.740 0.000 -0.025) 2.740 10.431 ( -0.085 0.000 0.031) 0.091 11.023 ( -0.557 0.000 -1.581) 1.676 11.561 ( -2.081 0.000 1.534) 2.585 12.600 ( 4.419 0.000 -3.638) 5.723 13.228 ( 3.996 0.000 4.937) 6.352 21.046 ( 5.656 0.000 2.073) 6.024 21.335 ( -2.406 0.000 -1.973) 3.111 21.378 ( 1.698 0.000 -3.978) 4.325 22.790 ( -5.063 0.000 5.264) 7.304 23.308 ( 4.634 0.000 -0.797) 4.702 23.492 ( -2.486 0.000 0.921) 2.651 ======================= Grid point 5 (6/225) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -5.693 0.000 -2.881) 6.381 2.036 ( -0.257 0.000 -1.471) 1.493 2.098 ( 9.460 0.000 4.316) 10.398 2.259 ( 6.241 0.000 2.459) 6.708 2.490 ( -5.172 0.000 0.364) 5.185 2.900 ( -1.838 0.000 -1.189) 2.189 3.003 ( 0.531 0.000 -1.196) 1.308 3.311 ( 2.063 0.000 -0.866) 2.237 3.760 ( 10.831 0.000 6.767) 12.771 3.834 ( 1.025 0.000 0.721) 1.253 3.926 ( 2.747 0.000 -1.889) 3.334 4.166 ( -2.561 0.000 -0.780) 2.677 4.319 ( -2.751 0.000 -2.183) 3.512 4.592 ( 0.142 0.000 4.543) 4.545 5.178 ( 4.174 0.000 -7.908) 8.942 5.269 ( -6.075 0.000 5.409) 8.134 5.450 ( -1.466 0.000 0.203) 1.480 5.986 ( -5.237 0.000 -5.641) 7.697 10.285 ( -1.067 0.000 -0.150) 1.077 10.431 ( 0.005 0.000 0.140) 0.140 11.003 ( -0.503 0.000 -0.645) 0.818 11.540 ( -0.644 0.000 0.321) 0.719 12.647 ( 1.682 0.000 -1.021) 1.967 13.299 ( 1.273 0.000 1.776) 2.185 21.163 ( 4.955 0.000 2.200) 5.422 21.262 ( -3.752 0.000 -2.162) 4.331 21.384 ( 0.590 0.000 -1.454) 1.569 22.741 ( -1.925 0.000 1.834) 2.659 23.382 ( 2.920 0.000 -0.722) 3.008 23.452 ( -1.878 0.000 0.596) 1.971 ======================= Grid point 11 (7/225) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 0.000 18.865 0.000) 18.865 0.563 ( 0.000 28.411 0.000) 28.411 0.833 ( 0.000 40.482 0.000) 40.482 2.115 ( 0.000 3.209 0.000) 3.209 2.129 ( 0.000 11.438 0.000) 11.438 2.587 ( 0.000 -5.736 0.000) 5.736 2.799 ( 0.000 1.209 0.000) 1.209 3.276 ( 0.000 -6.019 0.000) 6.019 3.335 ( 0.000 3.086 0.000) 3.086 3.567 ( 0.000 -2.473 0.000) 2.473 3.899 ( 0.000 -1.754 0.000) 1.754 3.906 ( 0.000 -1.676 0.000) 1.676 4.745 ( 0.000 3.673 0.000) 3.673 4.782 ( 0.000 10.080 0.000) 10.080 5.863 ( 0.000 -1.074 0.000) 1.074 5.903 ( 0.000 2.035 0.000) 2.035 6.349 ( 0.000 -0.293 0.000) 0.293 6.382 ( 0.000 -0.631 0.000) 0.631 10.548 ( 0.000 -1.393 0.000) 1.393 10.702 ( 0.000 -4.971 0.000) 4.971 10.938 ( 0.000 3.207 0.000) 3.207 11.219 ( 0.000 -2.278 0.000) 2.278 12.320 ( 0.000 1.574 0.000) 1.574 12.689 ( 0.000 -0.794 0.000) 0.794 20.898 ( 0.000 -2.492 0.000) 2.492 21.235 ( 0.000 -2.866 0.000) 2.866 21.545 ( 0.000 12.099 0.000) 12.099 23.107 ( 0.000 0.783 0.000) 0.783 23.169 ( 0.000 0.563 0.000) 0.563 23.414 ( 0.000 -2.354 0.000) 2.354 ======================= Grid point 12 (8/225) ======================= q-point: ( 0.09 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 12.378 11.675 11.506) 20.540 0.641 ( 17.580 12.829 2.726) 21.934 1.280 ( 28.343 30.867 11.423) 43.435 2.077 ( -2.979 8.957 -3.439) 10.046 2.237 ( 9.917 5.914 -0.729) 11.570 2.579 ( -0.869 -6.173 -1.288) 6.366 2.759 ( -3.726 1.997 1.089) 4.366 2.924 ( -11.608 18.954 -2.573) 22.375 3.283 ( 0.390 -4.972 0.014) 4.987 3.611 ( 4.968 -2.843 -12.186) 13.464 3.851 ( -2.168 -4.224 1.050) 4.863 4.232 ( 9.339 -13.321 10.959) 19.615 4.707 ( -3.847 7.309 4.061) 9.205 4.764 ( -1.511 7.675 -3.086) 8.409 5.593 ( -20.700 22.909 -4.217) 31.163 5.807 ( -5.254 -0.929 -1.246) 5.479 5.878 ( -3.428 2.754 -1.418) 4.620 6.841 ( 1.884 -17.057 2.842) 17.394 10.514 ( -2.355 2.396 -2.452) 4.159 10.568 ( -4.327 5.982 -1.113) 7.466 10.888 ( 2.491 -2.832 -0.369) 3.790 11.521 ( 4.131 -11.935 16.676) 20.919 12.377 ( 8.400 -2.209 -15.287) 17.582 12.747 ( 4.377 -1.319 3.904) 6.012 20.798 ( -1.766 2.020 -2.533) 3.690 21.319 ( 4.835 0.208 -1.823) 5.171 21.521 ( -1.384 11.364 -0.456) 11.457 23.030 ( 0.580 0.985 -17.133) 17.171 23.237 ( -10.871 -1.175 35.434) 37.083 23.425 ( 2.559 -4.309 1.663) 5.280 ======================= Grid point 13 (9/225) ======================= q-point: ( 0.18 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 20.730 1.996 15.474) 25.945 1.059 ( 21.941 1.401 4.296) 22.402 1.941 ( 31.123 20.802 12.598) 39.497 1.981 ( -2.911 9.659 -4.823) 11.181 2.437 ( 3.649 -1.636 -0.338) 4.013 2.526 ( 1.725 -0.984 -3.391) 3.930 2.728 ( 0.123 1.634 3.866) 4.199 2.878 ( 2.787 8.893 1.848) 9.500 3.290 ( 0.337 -2.727 -0.267) 2.761 3.639 ( 4.033 -3.513 -7.613) 9.304 3.818 ( -1.005 -3.337 -0.484) 3.518 4.354 ( 0.894 -11.088 2.051) 11.311 4.673 ( -3.134 7.649 5.250) 9.792 4.681 ( -4.808 8.600 -1.937) 10.041 5.348 ( -6.090 15.427 -2.171) 16.727 5.670 ( -7.765 -1.440 -0.604) 7.921 5.776 ( -6.096 2.129 -1.062) 6.544 6.711 ( -10.355 -12.227 -7.329) 17.619 10.477 ( -0.820 6.194 0.126) 6.249 10.504 ( -2.510 2.118 -1.541) 3.628 10.952 ( 3.572 -3.770 -1.020) 5.293 11.591 ( -2.374 -5.649 8.585) 10.548 12.441 ( 6.634 -2.209 -11.084) 13.105 12.888 ( 6.461 -2.513 6.341) 9.395 20.823 ( 4.144 0.677 -0.235) 4.206 21.383 ( 3.845 3.596 -4.521) 6.939 21.492 ( -1.481 9.034 -0.601) 9.174 22.931 ( -5.325 -1.253 0.250) 5.476 23.215 ( -3.977 0.268 10.893) 11.599 23.485 ( 1.070 -4.367 3.184) 5.509 ======================= Grid point 14 (10/225) ======================= q-point: ( 0.27 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 17.292 2.696 9.418) 19.874 1.526 ( 20.494 -2.786 7.780) 22.097 1.910 ( -1.414 6.621 -3.592) 7.664 2.277 ( -9.882 -3.632 -5.101) 11.699 2.561 ( 11.416 6.629 8.613) 15.763 2.664 ( 14.805 1.213 8.910) 17.322 2.853 ( 10.897 2.678 -0.645) 11.240 2.969 ( 5.305 5.565 1.480) 7.830 3.297 ( 1.509 0.223 -1.858) 2.404 3.679 ( 3.222 -4.600 -2.155) 6.016 3.814 ( 1.453 -2.820 -2.469) 4.020 4.345 ( -1.263 -8.467 -1.019) 8.621 4.538 ( -6.931 8.060 -3.321) 11.137 4.659 ( -3.428 9.390 8.011) 12.810 5.263 ( -1.481 10.328 -4.043) 11.190 5.516 ( -7.465 -1.427 -0.206) 7.604 5.643 ( -6.657 1.971 -0.558) 6.965 6.422 ( -12.663 -10.469 -11.393) 19.994 10.439 ( -2.826 4.823 -0.979) 5.675 10.478 ( 0.242 4.635 0.064) 4.642 10.996 ( 1.531 -3.248 -1.602) 3.932 11.575 ( -2.499 -2.558 3.661) 5.118 12.509 ( 5.646 -1.909 -6.331) 8.695 13.052 ( 6.005 -3.700 6.564) 9.635 20.929 ( 6.158 0.798 0.833) 6.266 21.414 ( 2.431 4.495 -5.065) 7.195 21.452 ( -2.164 6.973 -1.131) 7.388 22.832 ( -6.807 -3.311 6.020) 9.672 23.234 ( 2.124 0.162 1.566) 2.643 23.498 ( -1.061 -2.945 1.729) 3.576 ======================= Grid point 15 (11/225) ======================= q-point: ( 0.36 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -1.778 5.270 -2.451) 6.078 1.777 ( 10.168 -0.862 5.958) 11.817 2.007 ( 13.430 -0.589 4.013) 14.029 2.099 ( -4.194 -0.862 -1.144) 4.431 2.575 ( -3.837 -0.373 4.149) 5.664 2.916 ( 3.040 -1.423 -1.553) 3.699 2.999 ( 3.108 1.453 -1.912) 3.928 3.230 ( 9.057 2.018 5.365) 10.718 3.412 ( 16.116 4.477 3.871) 17.168 3.737 ( 2.486 -4.974 2.086) 5.939 3.835 ( 2.416 -3.404 -3.962) 5.755 4.306 ( -1.782 -5.599 -2.094) 6.237 4.397 ( -5.211 8.987 -2.559) 10.699 4.641 ( -3.106 7.390 8.033) 11.348 5.230 ( 1.408 7.031 -6.910) 9.958 5.384 ( -6.492 -0.295 1.582) 6.689 5.527 ( -4.928 2.144 0.348) 5.385 6.117 ( -10.972 -9.253 -10.866) 18.002 10.383 ( -2.127 5.428 -1.127) 5.938 10.487 ( 0.336 5.808 0.488) 5.838 10.996 ( -0.272 -2.573 -1.472) 2.977 11.549 ( -1.563 -1.202 1.225) 2.321 12.579 ( 4.210 -1.963 -3.012) 5.536 13.184 ( 3.822 -4.429 4.742) 7.531 21.061 ( 6.412 1.674 1.558) 6.808 21.390 ( -3.290 5.491 -1.685) 6.619 21.423 ( 1.262 4.075 -3.788) 5.705 22.744 ( -5.402 -4.604 4.943) 8.649 23.305 ( 4.284 -0.316 -0.523) 4.327 23.474 ( -1.924 -1.715 0.889) 2.727 ======================= Grid point 16 (12/225) ======================= q-point: ( 0.45 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -4.814 9.580 -2.412) 10.989 1.942 ( 2.303 -7.248 0.433) 7.617 2.137 ( 6.074 1.214 3.840) 7.288 2.217 ( 2.945 -2.626 1.137) 4.106 2.527 ( -1.435 3.092 0.871) 3.518 2.910 ( -1.234 0.272 -0.831) 1.513 3.005 ( -0.168 0.037 -1.451) 1.461 3.316 ( 1.917 0.473 -0.462) 2.028 3.745 ( 7.597 -1.684 3.710) 8.621 3.786 ( 0.675 -4.012 3.051) 5.086 3.873 ( 4.452 -2.998 -1.909) 5.696 4.258 ( -1.709 -4.015 -1.207) 4.527 4.310 ( -2.231 10.283 -1.678) 10.655 4.639 ( -0.958 4.265 3.885) 5.848 5.233 ( 3.209 5.112 -7.700) 9.783 5.289 ( -4.915 1.356 5.024) 7.158 5.464 ( -1.724 2.185 0.493) 2.827 5.905 ( -4.823 -7.802 -4.936) 10.417 10.349 ( -0.795 6.145 -0.462) 6.213 10.494 ( 0.146 6.309 0.218) 6.314 10.980 ( -0.391 -2.132 -0.602) 2.250 11.533 ( -0.511 -0.696 0.246) 0.898 12.626 ( 1.603 -2.083 -0.855) 2.764 13.253 ( 1.240 -4.703 1.707) 5.154 21.190 ( 5.673 2.747 2.000) 6.612 21.303 ( -4.526 3.967 -2.075) 6.366 21.424 ( 0.416 3.804 -1.340) 4.055 22.690 ( -2.038 -5.186 1.755) 5.842 23.374 ( 2.669 -0.743 -0.558) 2.826 23.442 ( -1.560 -0.927 0.528) 1.890 ======================= Grid point 22 (13/225) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.000 19.065 0.000) 19.065 1.107 ( 0.000 26.727 0.000) 26.727 1.549 ( 0.000 31.190 0.000) 31.190 2.195 ( 0.000 3.659 0.000) 3.659 2.405 ( 0.000 15.285 0.000) 15.285 2.454 ( 0.000 -5.874 0.000) 5.874 2.828 ( 0.000 1.721 0.000) 1.721 3.120 ( 0.000 -9.289 0.000) 9.289 3.388 ( 0.000 1.376 0.000) 1.376 3.487 ( 0.000 -5.854 0.000) 5.854 3.865 ( 0.000 -1.331 0.000) 1.331 3.875 ( 0.000 -0.993 0.000) 0.993 4.839 ( 0.000 5.755 0.000) 5.755 5.018 ( 0.000 12.301 0.000) 12.301 5.846 ( 0.000 -0.100 0.000) 0.100 5.954 ( 0.000 2.890 0.000) 2.890 6.338 ( 0.000 -0.873 0.000) 0.873 6.364 ( 0.000 -1.224 0.000) 1.224 10.513 ( 0.000 -1.999 0.000) 1.999 10.602 ( 0.000 -4.890 0.000) 4.890 10.991 ( 0.000 2.110 0.000) 2.110 11.161 ( 0.000 -3.383 0.000) 3.383 12.364 ( 0.000 2.821 0.000) 2.821 12.665 ( 0.000 -1.661 0.000) 1.661 20.858 ( 0.000 -1.193 0.000) 1.193 21.158 ( 0.000 -4.731 0.000) 4.731 21.850 ( 0.000 18.174 0.000) 18.174 23.127 ( 0.000 1.119 0.000) 1.119 23.183 ( 0.000 0.766 0.000) 0.766 23.339 ( 0.000 -5.387 0.000) 5.387 ======================= Grid point 23 (14/225) ======================= q-point: ( 0.09 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 6.516 17.002 5.185) 18.932 0.999 ( -0.106 22.012 0.222) 22.013 1.868 ( 21.582 26.819 9.596) 35.737 2.208 ( 0.303 3.596 0.255) 3.617 2.415 ( -0.878 0.650 -1.020) 1.495 2.479 ( 5.402 7.644 -3.706) 10.067 2.779 ( -4.837 -0.013 3.505) 5.973 3.156 ( 1.065 -3.800 3.525) 5.292 3.203 ( -8.256 6.559 -8.911) 13.805 3.520 ( 3.916 -6.630 -7.367) 10.656 3.773 ( -2.608 -2.715 0.636) 3.818 4.052 ( 5.835 -6.388 6.650) 10.913 4.835 ( -0.764 6.315 0.984) 6.436 4.984 ( -3.137 12.337 -0.008) 12.730 5.791 ( -5.969 0.344 1.610) 6.192 5.888 ( -9.092 6.572 -0.691) 11.240 5.974 ( -11.299 7.919 -7.359) 15.638 6.560 ( 0.706 -11.467 2.553) 11.769 10.509 ( 0.458 -0.919 -1.460) 1.785 10.636 ( 2.102 -1.100 -0.129) 2.375 10.876 ( -3.627 2.269 -2.796) 5.111 11.329 ( 7.401 -7.877 6.546) 12.636 12.379 ( 2.820 1.798 -4.282) 5.434 12.709 ( 3.228 -2.474 3.396) 5.298 20.819 ( -0.351 1.055 -2.667) 2.890 21.268 ( 7.829 -4.631 0.618) 9.117 21.819 ( -2.829 17.877 -0.287) 18.102 23.049 ( -2.555 0.752 -12.609) 12.887 23.222 ( -4.689 -0.405 19.226) 19.794 23.335 ( 1.012 -5.153 0.331) 5.262 ======================= Grid point 24 (15/225) ======================= q-point: ( 0.18 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 14.231 8.383 11.202) 19.957 1.195 ( 13.181 10.182 5.815) 17.641 2.179 ( -2.534 8.396 -2.719) 9.182 2.337 ( -4.044 -5.413 -3.264) 7.504 2.368 ( 21.068 17.697 8.764) 28.877 2.577 ( 1.897 4.873 3.681) 6.395 2.768 ( 4.726 4.118 1.495) 6.444 3.039 ( -2.210 6.243 -4.063) 7.770 3.231 ( 3.040 -2.497 1.155) 4.100 3.555 ( 3.295 -4.886 -3.951) 7.095 3.747 ( -0.475 -3.121 -0.031) 3.157 4.147 ( 1.940 -9.685 0.960) 9.924 4.809 ( -2.679 7.089 -0.686) 7.610 4.921 ( -3.820 12.742 3.533) 13.763 5.640 ( -11.566 7.635 5.233) 14.814 5.663 ( -6.422 6.588 -7.977) 12.177 5.822 ( -6.050 2.517 -1.930) 6.831 6.447 ( -10.042 -13.323 -4.540) 17.290 10.515 ( 0.909 1.168 -1.689) 2.246 10.646 ( -0.232 7.485 -1.164) 7.578 10.867 ( 2.701 -3.895 -1.172) 4.883 11.457 ( 2.802 -7.429 4.084) 8.929 12.418 ( 3.886 0.178 -4.559) 5.993 12.818 ( 4.899 -4.409 5.541) 8.610 20.853 ( 4.790 2.569 -1.460) 5.628 21.405 ( 6.273 -1.679 -2.258) 6.875 21.747 ( -4.284 15.956 -0.392) 16.525 22.901 ( -7.925 -1.945 -1.210) 8.250 23.220 ( -2.701 0.099 8.064) 8.505 23.386 ( 2.382 -5.307 1.684) 6.056 ======================= Grid point 25 (16/225) ======================= q-point: ( 0.27 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 15.287 -0.280 5.784) 16.347 1.510 ( 16.302 3.798 14.389) 22.073 2.095 ( -3.683 11.315 -4.130) 12.596 2.193 ( -6.729 -4.587 -3.008) 8.681 2.569 ( -3.429 -4.888 7.488) 9.577 2.778 ( 12.542 7.882 2.175) 14.972 2.925 ( 7.004 3.180 -1.365) 7.812 3.094 ( 9.722 7.682 4.100) 13.051 3.298 ( 4.556 -0.267 0.058) 4.564 3.602 ( 2.680 -2.359 -0.284) 3.582 3.751 ( 1.400 -3.203 -1.976) 4.016 4.163 ( 0.717 -9.792 -2.309) 10.086 4.720 ( -4.917 9.500 -2.311) 10.944 4.876 ( -4.550 11.495 6.329) 13.889 5.460 ( -9.087 4.022 2.577) 10.266 5.520 ( -3.455 6.661 -8.001) 10.969 5.698 ( -5.994 3.691 0.372) 7.050 6.174 ( -12.922 -13.431 -8.239) 20.378 10.517 ( 0.403 3.810 -2.147) 4.392 10.641 ( 0.488 10.271 -0.516) 10.295 10.914 ( 2.249 -4.649 -1.345) 5.337 11.504 ( 0.614 -4.669 1.661) 4.993 12.474 ( 4.045 -1.192 -3.038) 5.197 12.950 ( 4.782 -6.488 5.817) 9.940 20.970 ( 7.311 3.529 -0.198) 8.120 21.481 ( 3.484 1.466 -3.833) 5.383 21.653 ( -5.007 12.852 -0.617) 13.807 22.744 ( -8.871 -5.432 4.203) 11.219 23.238 ( 1.702 0.241 1.778) 2.473 23.425 ( 0.592 -4.209 1.406) 4.477 ======================= Grid point 26 (17/225) ======================= q-point: ( 0.36 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 7.006 -3.467 4.336) 8.939 1.869 ( 3.922 2.015 7.124) 8.378 2.013 ( 1.571 4.830 -0.087) 5.080 2.115 ( 1.743 2.541 1.565) 3.456 2.547 ( -1.581 -2.936 3.829) 5.077 2.899 ( 1.711 -0.246 -1.139) 2.071 3.002 ( 2.450 -1.236 -2.551) 3.747 3.272 ( 3.786 1.849 1.686) 4.538 3.511 ( 14.002 4.137 4.942) 15.414 3.657 ( 2.665 -1.314 2.519) 3.895 3.768 ( 1.817 -3.352 -3.346) 5.073 4.160 ( 0.657 -8.391 -2.968) 8.925 4.614 ( -4.313 11.469 -1.662) 12.365 4.807 ( -5.736 8.932 5.274) 11.853 5.330 ( -5.245 -0.420 1.436) 5.454 5.430 ( -1.135 7.967 -7.711) 11.146 5.602 ( -4.277 5.380 1.601) 7.057 5.889 ( -10.608 -12.948 -7.652) 18.404 10.508 ( 0.093 6.739 -1.958) 7.018 10.655 ( 0.901 10.808 -0.031) 10.846 10.932 ( 0.498 -3.611 -1.198) 3.837 11.513 ( -0.021 -2.454 0.394) 2.485 12.533 ( 3.250 -2.295 -1.498) 4.251 13.060 ( 3.234 -7.917 4.246) 9.548 21.120 ( 7.669 4.434 0.865) 8.900 21.497 ( -0.061 3.613 -3.148) 4.792 21.551 ( -4.161 9.678 -1.286) 10.612 22.616 ( -6.622 -8.175 4.049) 11.273 23.299 ( 3.528 -0.233 0.009) 3.536 23.430 ( -0.609 -2.657 0.877) 2.863 ======================= Grid point 27 (18/225) ======================= q-point: ( 0.45 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 1.050 -7.685 1.561) 7.912 1.814 ( -2.932 12.025 -0.915) 12.411 2.077 ( 1.395 -5.042 3.009) 6.035 2.245 ( 3.700 4.072 1.717) 5.763 2.586 ( 3.424 2.364 1.904) 4.575 2.883 ( -2.007 -3.429 -0.334) 3.987 2.996 ( -0.512 -0.865 -2.113) 2.340 3.325 ( 1.527 0.307 -0.199) 1.571 3.679 ( 1.733 -3.522 2.547) 4.679 3.740 ( 1.294 -1.572 -1.344) 2.439 3.830 ( 5.923 -1.241 2.220) 6.446 4.146 ( -0.508 -6.304 -2.027) 6.642 4.547 ( -1.601 12.288 -0.601) 12.407 4.741 ( -2.680 5.927 2.153) 6.852 5.272 ( -1.584 -1.917 0.598) 2.557 5.380 ( -0.421 8.260 -3.493) 8.978 5.553 ( -1.467 6.313 0.679) 6.516 5.706 ( -4.175 -11.643 -2.972) 12.721 10.501 ( 0.028 8.528 -0.790) 8.565 10.668 ( 0.400 10.989 0.022) 10.996 10.929 ( -0.086 -2.784 -0.471) 2.825 11.513 ( -0.051 -1.311 0.027) 1.312 12.573 ( 1.273 -2.943 -0.423) 3.234 13.120 ( 1.099 -8.537 1.535) 8.743 21.271 ( 6.994 5.353 1.597) 8.951 21.408 ( -5.966 6.323 -1.863) 8.891 21.519 ( 0.080 5.575 -1.048) 5.674 22.543 ( -2.428 -9.521 1.530) 9.944 23.357 ( 2.112 -0.819 -0.243) 2.278 23.418 ( -0.825 -1.503 0.436) 1.769 ======================= Grid point 33 (19/225) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.000 18.510 0.000) 18.510 1.602 ( 0.000 23.386 0.000) 23.386 1.953 ( 0.000 3.494 0.000) 3.494 2.200 ( 0.000 2.638 0.000) 2.638 2.487 ( 0.000 8.529 0.000) 8.529 2.669 ( 0.000 9.221 0.000) 9.221 2.878 ( 0.000 4.765 0.000) 4.765 2.939 ( 0.000 -7.789 0.000) 7.789 3.337 ( 0.000 -9.286 0.000) 9.286 3.363 ( 0.000 -4.087 0.000) 4.087 3.855 ( 0.000 0.287 0.000) 0.287 3.875 ( 0.000 0.752 0.000) 0.752 4.966 ( 0.000 7.018 0.000) 7.018 5.200 ( 0.000 5.028 0.000) 5.028 5.879 ( 0.000 3.677 0.000) 3.677 6.005 ( 0.000 2.036 0.000) 2.036 6.317 ( 0.000 -1.176 0.000) 1.176 6.335 ( 0.000 -1.598 0.000) 1.598 10.477 ( 0.000 -1.585 0.000) 1.585 10.518 ( 0.000 -3.478 0.000) 3.478 11.020 ( 0.000 0.937 0.000) 0.937 11.097 ( 0.000 -2.874 0.000) 2.874 12.427 ( 0.000 3.520 0.000) 3.520 12.624 ( 0.000 -2.544 0.000) 2.544 20.855 ( 0.000 0.853 0.000) 0.853 21.059 ( 0.000 -5.182 0.000) 5.182 22.231 ( 0.000 20.001 0.000) 20.001 23.132 ( 0.000 -2.754 0.000) 2.754 23.196 ( 0.000 0.467 0.000) 0.467 23.210 ( 0.000 -5.726 0.000) 5.726 ======================= Grid point 34 (20/225) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 4.777 16.855 3.981) 17.966 1.436 ( -8.517 21.362 -1.723) 23.061 2.078 ( 4.478 -8.422 2.630) 9.894 2.286 ( 5.067 2.313 1.063) 5.671 2.469 ( 2.108 13.523 3.254) 14.067 2.746 ( 1.918 11.645 -0.510) 11.813 2.780 ( -0.147 2.685 1.549) 3.103 3.068 ( 6.902 -2.961 1.603) 7.680 3.274 ( -6.294 -2.337 -6.412) 9.284 3.368 ( 3.011 -7.269 0.168) 7.870 3.762 ( -3.003 1.540 -2.954) 4.485 3.954 ( 1.613 -3.935 3.818) 5.715 4.963 ( -0.637 6.650 0.606) 6.708 5.170 ( -2.818 5.319 0.351) 6.029 5.831 ( -4.944 4.024 0.110) 6.376 5.965 ( -4.086 2.589 1.141) 4.970 6.114 ( -11.066 5.386 -5.105) 13.324 6.376 ( -3.258 -7.646 0.095) 8.311 10.493 ( 2.223 -0.533 -1.070) 2.524 10.578 ( 5.207 -3.473 0.527) 6.281 10.941 ( -3.340 3.659 -3.280) 5.941 11.196 ( 5.627 -5.841 2.354) 8.445 12.432 ( 0.736 3.312 -0.734) 3.471 12.651 ( 1.859 -3.348 2.693) 4.682 20.856 ( 1.941 2.786 -1.771) 3.830 21.158 ( 7.942 -6.232 1.105) 10.155 22.193 ( -4.000 19.511 0.275) 19.919 23.035 ( -6.221 -3.593 -6.999) 10.030 23.214 ( -2.328 -0.711 9.122) 9.441 23.232 ( 2.214 -4.072 0.488) 4.661 ======================= Grid point 35 (21/225) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 4.151 13.396 6.694) 15.540 1.424 ( 5.699 12.720 6.155) 15.237 2.117 ( -0.635 -9.602 -0.657) 9.645 2.300 ( 0.106 -6.189 1.190) 6.303 2.556 ( -4.633 8.384 2.453) 9.888 2.769 ( 8.267 11.024 4.016) 14.353 2.950 ( 9.114 12.413 -0.173) 15.401 3.095 ( -3.137 -0.338 -4.359) 5.381 3.197 ( 3.847 -1.821 0.857) 4.341 3.461 ( 5.705 -4.143 1.872) 7.295 3.716 ( -0.887 0.100 -1.019) 1.355 3.976 ( 0.049 -7.703 -0.484) 7.718 4.941 ( -1.803 6.297 -0.388) 6.562 5.112 ( -3.617 5.537 2.159) 6.957 5.696 ( -9.533 4.626 2.194) 10.821 5.867 ( -8.204 4.216 -6.942) 11.544 5.883 ( -6.375 6.913 0.962) 9.453 6.215 ( -11.188 -10.041 -3.942) 15.542 10.542 ( 3.221 1.590 -1.418) 3.862 10.700 ( 6.582 -2.444 -0.159) 7.023 10.880 ( -1.010 5.805 -3.083) 6.650 11.310 ( 4.864 -7.552 0.808) 9.019 12.448 ( 1.307 2.663 -0.530) 3.013 12.721 ( 2.872 -5.355 4.488) 7.554 20.928 ( 6.228 5.081 -1.266) 8.137 21.326 ( 8.390 -5.902 -0.535) 10.272 22.084 ( -7.138 17.706 0.252) 19.092 22.839 ( -10.817 -4.959 -1.229) 11.963 23.218 ( -0.857 -0.251 4.281) 4.373 23.290 ( 2.727 -4.111 1.414) 5.132 ======================= Grid point 36 (22/225) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 9.954 3.378 8.528) 13.536 1.608 ( 6.644 5.104 11.880) 14.537 2.093 ( -0.218 -4.547 0.894) 4.640 2.324 ( -0.228 7.096 -3.082) 7.739 2.430 ( -6.534 -4.805 6.523) 10.408 2.911 ( -3.183 -0.125 -1.571) 3.552 2.941 ( 6.830 4.376 -4.310) 9.186 3.235 ( 3.883 2.108 2.320) 4.990 3.319 ( 12.475 5.957 3.868) 14.355 3.587 ( 4.719 0.153 3.718) 6.010 3.705 ( 0.691 -1.166 -2.071) 2.475 3.970 ( 1.001 -9.569 -3.240) 10.152 4.889 ( -2.899 7.429 -1.373) 8.092 5.052 ( -4.479 5.238 2.827) 7.449 5.492 ( -12.174 2.774 2.571) 12.748 5.689 ( -4.367 6.796 -7.646) 11.123 5.789 ( -4.697 5.192 0.688) 7.035 5.934 ( -13.735 -10.143 -5.579) 17.962 10.593 ( 2.947 3.874 -1.719) 5.162 10.814 ( 4.953 -2.072 -0.644) 5.408 10.861 ( 0.804 8.477 -2.637) 8.914 11.393 ( 3.629 -6.622 -0.462) 7.566 12.475 ( 1.647 1.565 0.027) 2.272 12.808 ( 2.960 -7.734 4.840) 9.591 21.068 ( 8.251 6.296 -0.417) 10.387 21.460 ( 6.032 -3.514 -2.105) 7.291 21.930 ( -8.499 14.759 0.009) 17.031 22.620 ( -11.601 -7.308 2.292) 13.901 23.243 ( 1.766 0.323 1.498) 2.338 23.344 ( 1.893 -3.752 1.254) 4.385 ======================= Grid point 37 (23/225) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 1.782 -1.120 5.917) 6.281 1.813 ( 4.179 -4.651 12.833) 14.276 2.154 ( 3.291 3.983 2.533) 5.754 2.221 ( -2.300 10.289 -0.706) 10.567 2.457 ( 3.275 -5.573 3.805) 7.501 2.853 ( -2.372 -6.194 -0.741) 6.674 3.012 ( 2.831 4.139 -4.365) 6.648 3.289 ( 2.522 -0.427 -1.044) 2.763 3.562 ( 6.158 2.412 5.519) 8.614 3.691 ( 5.551 2.480 3.340) 6.937 3.712 ( 1.194 -1.707 -3.376) 3.967 3.989 ( 2.660 -8.752 -2.771) 9.558 4.820 ( -3.150 9.167 -1.029) 9.747 4.962 ( -5.997 6.090 1.373) 8.657 5.301 ( -7.561 -1.180 1.062) 7.726 5.597 ( -2.015 4.854 -4.244) 6.756 5.644 ( -9.394 -7.234 -9.050) 14.916 5.721 ( -4.729 4.657 3.777) 7.637 10.633 ( 2.152 5.749 -1.572) 6.336 10.850 ( 0.606 -0.418 -1.614) 1.773 10.901 ( 3.038 9.497 -0.829) 10.005 11.447 ( 2.316 -4.602 -0.761) 5.208 12.508 ( 1.498 0.269 0.301) 1.551 12.885 ( 2.165 -9.630 3.616) 10.512 21.231 ( 8.312 6.636 0.434) 10.645 21.532 ( 2.702 -0.287 -2.388) 3.618 21.766 ( -7.833 11.768 -0.422) 14.143 22.434 ( -8.716 -10.106 2.765) 13.629 23.297 ( 2.861 0.149 0.409) 2.894 23.377 ( 0.789 -2.610 0.893) 2.869 ======================= Grid point 38 (24/225) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -1.127 -3.542 3.043) 4.803 1.887 ( -0.365 -5.715 4.339) 7.185 2.115 ( -1.392 9.707 -1.241) 9.885 2.338 ( 4.023 5.072 2.972) 7.124 2.587 ( 7.421 -2.900 3.642) 8.760 2.772 ( -5.370 -7.533 -2.437) 9.567 3.018 ( 0.320 4.366 -1.942) 4.789 3.323 ( 1.315 -0.754 -0.650) 1.649 3.637 ( 0.859 -0.889 2.898) 3.150 3.700 ( -0.020 -2.325 -3.121) 3.892 3.824 ( 3.821 0.290 2.159) 4.398 4.020 ( 1.271 -6.395 -1.125) 6.616 4.769 ( -1.322 10.014 -0.201) 10.103 4.865 ( -3.308 6.455 0.172) 7.255 5.217 ( -1.987 -3.238 0.330) 3.813 5.463 ( -4.098 -10.351 -3.128) 11.564 5.561 ( -0.418 7.336 -1.671) 7.535 5.676 ( -1.506 5.275 1.083) 5.592 10.656 ( 0.825 6.793 -0.663) 6.875 10.850 ( 0.139 0.461 -0.634) 0.796 10.937 ( 0.992 10.200 -0.260) 10.252 11.474 ( 0.824 -3.071 -0.329) 3.197 12.531 ( 0.624 -0.639 0.159) 0.907 12.929 ( 0.781 -10.592 1.323) 10.702 21.389 ( 7.321 6.292 1.040) 9.709 21.520 ( -3.570 4.074 -1.508) 5.622 21.649 ( -2.803 8.224 -0.516) 8.704 22.328 ( -3.208 -12.081 1.176) 12.555 23.345 ( 1.554 -0.356 0.017) 1.595 23.387 ( -0.037 -1.568 0.388) 1.616 ======================= Grid point 44 (25/225) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 17.117 0.000) 17.117 1.775 ( 0.000 -14.465 0.000) 14.465 2.011 ( 0.000 17.771 0.000) 17.771 2.252 ( 0.000 -4.579 0.000) 4.579 2.636 ( 0.000 4.886 0.000) 4.886 2.714 ( 0.000 -2.529 0.000) 2.529 2.920 ( 0.000 7.458 0.000) 7.458 3.044 ( 0.000 8.997 0.000) 8.997 3.136 ( 0.000 -9.903 0.000) 9.903 3.239 ( 0.000 -8.157 0.000) 8.157 3.871 ( 0.000 1.072 0.000) 1.072 3.885 ( 0.000 -0.101 0.000) 0.101 5.105 ( 0.000 6.802 0.000) 6.802 5.211 ( 0.000 -3.223 0.000) 3.223 5.969 ( 0.000 4.388 0.000) 4.388 6.021 ( 0.000 -0.748 0.000) 0.748 6.299 ( 0.000 -0.413 0.000) 0.413 6.306 ( 0.000 -1.124 0.000) 1.124 10.457 ( 0.000 -0.307 0.000) 0.307 10.468 ( 0.000 -1.539 0.000) 1.539 11.034 ( 0.000 0.654 0.000) 0.654 11.054 ( 0.000 -1.524 0.000) 1.524 12.498 ( 0.000 3.640 0.000) 3.640 12.567 ( 0.000 -3.267 0.000) 3.267 20.891 ( 0.000 2.818 0.000) 2.818 20.963 ( 0.000 -4.397 0.000) 4.397 22.613 ( 0.000 18.367 0.000) 18.367 22.936 ( 0.000 -14.216 0.000) 14.216 23.190 ( 0.000 0.611 0.000) 0.611 23.199 ( 0.000 -0.167 0.000) 0.167 ======================= Grid point 45 (26/225) ======================= q-point: ( 0.09 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 2.406 15.693 3.092) 16.175 1.741 ( -5.463 -1.131 0.492) 5.601 1.924 ( -2.335 5.010 -0.460) 5.546 2.170 ( -6.783 -11.699 -1.687) 13.628 2.741 ( 8.766 10.544 5.220) 14.672 2.857 ( 1.127 2.005 -0.949) 2.488 2.904 ( 6.826 5.652 3.104) 9.390 3.086 ( 2.024 -0.388 -1.449) 2.519 3.125 ( -0.203 -3.449 0.248) 3.463 3.255 ( 2.530 -6.557 0.902) 7.086 3.817 ( -2.798 3.515 -2.876) 5.335 3.885 ( -1.358 -3.321 0.518) 3.625 5.092 ( -1.505 6.214 0.432) 6.409 5.187 ( -2.313 -2.841 0.353) 3.681 5.929 ( -4.207 4.926 0.735) 6.519 5.988 ( -3.747 -0.704 1.501) 4.098 6.190 ( -7.891 2.917 -3.450) 9.092 6.256 ( -5.932 -4.482 -2.432) 7.822 10.493 ( 3.765 0.630 -0.605) 3.865 10.521 ( 4.879 -2.225 -0.016) 5.363 11.014 ( -0.123 3.795 -2.028) 4.305 11.095 ( 3.007 -4.582 -0.119) 5.482 12.503 ( 0.262 3.880 0.887) 3.989 12.580 ( 0.747 -3.849 1.893) 4.354 20.930 ( 4.333 4.672 -0.565) 6.397 21.036 ( 6.496 -5.997 0.529) 8.856 22.563 ( -5.215 17.688 0.288) 18.443 22.868 ( -6.515 -12.828 -1.160) 14.434 23.194 ( 0.886 0.152 -0.400) 0.983 23.206 ( -0.387 -0.711 3.162) 3.264 ======================= Grid point 46 (27/225) ======================= q-point: ( 0.18 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.807 12.050 4.491) 12.886 1.649 ( -2.543 6.494 5.324) 8.774 1.949 ( 2.658 -3.799 1.334) 4.825 2.087 ( -0.078 -12.635 3.536) 13.120 2.755 ( -6.209 10.449 -1.686) 12.271 2.908 ( 2.310 -0.974 -4.458) 5.114 3.025 ( -2.090 1.098 2.230) 3.248 3.110 ( 6.539 -3.562 2.784) 7.950 3.233 ( 9.680 8.933 2.699) 13.446 3.379 ( 8.388 -5.313 3.548) 10.544 3.752 ( -2.068 3.525 -2.172) 4.628 3.845 ( -2.017 -5.712 -1.840) 6.331 5.055 ( -2.246 5.268 0.020) 5.727 5.135 ( -3.147 -2.310 0.754) 3.976 5.812 ( -9.505 6.142 2.713) 11.638 5.893 ( -7.127 -1.156 0.703) 7.254 5.996 ( -7.843 3.556 -4.574) 9.751 6.063 ( -10.488 -5.050 -5.575) 12.907 10.579 ( 5.154 2.320 -1.040) 5.747 10.635 ( 6.358 -3.289 -0.565) 7.180 11.017 ( 2.032 7.360 -2.688) 8.095 11.162 ( 4.345 -7.454 -1.337) 8.731 12.518 ( 0.399 4.385 1.784) 4.751 12.615 ( 1.114 -5.315 3.294) 6.351 21.048 ( 7.756 6.923 -0.534) 10.410 21.191 ( 8.723 -7.423 -0.078) 11.454 22.418 ( -9.654 15.797 0.543) 18.522 22.685 ( -11.382 -10.949 -0.038) 15.793 23.215 ( 0.955 0.235 1.490) 1.786 23.233 ( 1.858 -1.723 1.435) 2.912 ======================= Grid point 47 (28/225) ======================= q-point: ( 0.27 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 1.724 5.892 8.707) 10.653 1.666 ( -1.188 -0.551 9.915) 10.001 2.053 ( 6.424 2.080 4.546) 8.140 2.184 ( 5.063 -9.891 6.424) 12.834 2.598 ( -7.826 11.329 -2.678) 14.027 2.797 ( -6.382 -8.533 -3.200) 11.126 3.081 ( 4.352 6.969 -2.935) 8.725 3.195 ( 3.599 -4.320 -2.036) 5.980 3.475 ( 9.661 7.288 7.305) 14.136 3.573 ( 7.272 -2.450 6.266) 9.907 3.714 ( -0.207 2.272 -3.130) 3.873 3.803 ( 0.164 -6.886 -4.100) 8.016 5.010 ( -2.169 4.916 -0.701) 5.419 5.078 ( -3.032 -1.758 0.345) 3.521 5.579 ( -14.308 5.686 0.575) 15.407 5.701 ( -12.560 -5.944 -1.636) 13.991 5.850 ( -5.658 2.255 -6.341) 8.792 5.868 ( -5.028 1.328 -0.672) 5.244 10.667 ( 4.348 3.636 -1.334) 5.823 10.739 ( 4.517 -3.803 -1.044) 5.996 11.062 ( 4.107 10.002 -2.750) 11.157 11.244 ( 4.972 -8.504 -2.054) 10.063 12.539 ( 0.431 4.829 2.234) 5.338 12.659 ( 1.149 -7.147 3.716) 8.136 21.208 ( 8.625 7.657 -0.392) 11.540 21.354 ( 7.999 -6.864 -0.829) 10.573 22.212 ( -11.442 13.527 0.603) 17.728 22.448 ( -12.755 -10.396 1.175) 16.497 23.254 ( 2.180 0.913 1.132) 2.621 23.284 ( 2.382 -2.259 1.123) 3.469 ======================= Grid point 48 (29/225) ======================= q-point: ( 0.36 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -1.100 2.178 9.069) 9.391 1.725 ( -0.386 -4.113 11.981) 12.673 2.221 ( 6.424 3.703 6.082) 9.590 2.309 ( 2.962 -4.652 6.371) 8.427 2.474 ( -1.078 10.345 -3.667) 11.029 2.684 ( -3.321 -10.155 -2.456) 10.963 3.131 ( 2.873 6.767 -3.809) 8.280 3.244 ( 3.017 -4.239 -2.740) 5.880 3.623 ( 0.886 3.414 5.197) 6.280 3.673 ( -0.099 -1.615 1.435) 2.162 3.748 ( 5.969 2.653 -0.917) 6.596 3.834 ( 4.773 -6.492 -2.049) 8.314 4.964 ( -1.925 5.404 -0.874) 5.803 5.023 ( -2.564 -0.171 -0.714) 2.667 5.319 ( -11.288 3.586 -0.517) 11.855 5.439 ( -11.391 -8.248 -2.983) 14.377 5.744 ( -2.954 4.847 -2.811) 6.335 5.785 ( -3.389 0.848 -0.160) 3.497 10.728 ( 2.736 3.957 -1.201) 4.959 10.795 ( 2.087 -3.079 -1.056) 3.867 11.130 ( 3.981 11.270 -2.024) 12.123 11.323 ( 4.101 -8.128 -1.776) 9.276 12.559 ( 0.367 5.055 1.858) 5.399 12.699 ( 0.889 -8.784 2.892) 9.290 21.367 ( 7.789 6.872 -0.103) 10.387 21.483 ( 5.739 -4.517 -1.113) 7.388 22.000 ( -10.165 11.819 0.382) 15.593 22.225 ( -10.440 -11.075 1.429) 15.287 23.306 ( 2.387 0.843 0.648) 2.613 23.332 ( 1.804 -1.813 0.817) 2.685 ======================= Grid point 49 (30/225) ======================= q-point: ( 0.45 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -2.046 2.490 4.310) 5.382 1.755 ( -1.287 -6.476 4.790) 8.157 2.300 ( 0.346 8.468 1.156) 8.553 2.418 ( 4.016 -0.153 4.681) 6.169 2.512 ( 3.727 -0.608 0.375) 3.795 2.615 ( -2.850 -7.720 -3.015) 8.764 3.151 ( 0.979 7.815 -1.635) 8.044 3.277 ( 1.424 -4.382 -1.216) 4.766 3.637 ( -0.302 0.719 1.372) 1.578 3.660 ( -0.480 -1.602 -1.025) 1.961 3.841 ( 2.511 1.747 0.527) 3.104 3.905 ( 2.178 -4.887 0.001) 5.350 4.932 ( -0.863 6.165 -0.280) 6.232 4.973 ( -1.670 3.040 -0.783) 3.556 5.169 ( -3.647 -0.096 -0.130) 3.650 5.264 ( -4.503 -8.630 -1.353) 9.828 5.694 ( -1.057 4.917 -0.846) 5.100 5.738 ( -1.268 0.603 -0.023) 1.404 10.759 ( 0.931 3.760 -0.501) 3.906 10.815 ( 0.558 -2.288 -0.440) 2.396 11.178 ( 1.562 11.902 -0.740) 12.027 11.373 ( 1.613 -7.576 -0.683) 7.776 12.572 ( 0.151 5.108 0.720) 5.161 12.724 ( 0.340 -9.728 1.083) 9.794 21.499 ( 5.219 4.491 0.207) 6.888 21.552 ( 1.384 -0.679 -0.726) 1.704 21.844 ( -5.119 11.330 0.073) 12.433 22.082 ( -4.358 -12.622 0.689) 13.371 23.345 ( 1.087 0.369 0.197) 1.165 23.360 ( 0.602 -1.117 0.320) 1.308 ======================= Grid point 99 (31/225) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 7.112 0.000 18.442) 19.766 0.395 ( -7.946 0.000 20.540) 22.024 0.757 ( 10.552 0.000 38.843) 40.250 1.957 ( -4.263 0.000 -5.339) 6.832 2.050 ( 0.650 0.000 -3.522) 3.581 2.447 ( 5.108 0.000 -4.033) 6.508 2.728 ( 0.621 0.000 8.074) 8.098 2.820 ( -1.399 0.000 2.766) 3.100 3.322 ( 0.762 0.000 -1.645) 1.813 3.757 ( -12.131 0.000 1.734) 12.255 3.880 ( 0.055 0.000 -4.599) 4.600 4.632 ( 3.205 0.000 -0.739) 3.289 4.722 ( -1.614 0.000 2.682) 3.130 5.062 ( -24.511 0.000 -8.195) 25.845 5.187 ( -1.111 0.000 0.381) 1.175 5.852 ( 0.030 0.000 -2.816) 2.816 5.862 ( -0.742 0.000 -1.415) 1.598 6.572 ( 39.557 0.000 0.490) 39.560 10.399 ( 0.974 0.000 0.382) 1.047 10.561 ( -0.922 0.000 -0.142) 0.933 10.895 ( -1.532 0.000 0.477) 1.604 11.378 ( 22.531 0.000 -3.834) 22.855 12.726 ( 2.709 0.000 2.816) 3.907 13.303 ( -57.473 0.000 -1.088) 57.483 20.731 ( 0.170 0.000 1.524) 1.533 21.277 ( -3.578 0.000 1.293) 3.805 21.403 ( -0.159 0.000 -1.349) 1.359 21.416 ( 87.265 0.000 0.100) 87.265 23.441 ( 0.122 0.000 0.465) 0.481 23.754 ( 12.009 0.000 -0.655) 12.027 ======================= Grid point 100 (32/225) ======================= q-point: ( 0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 19.652 0.000 12.667) 23.381 0.780 ( 21.177 0.000 12.973) 24.834 1.341 ( 25.535 0.000 32.308) 41.180 1.838 ( -2.885 0.000 -7.613) 8.141 2.141 ( 11.290 0.000 -4.474) 12.144 2.523 ( 2.822 0.000 -5.437) 6.126 2.785 ( -0.282 0.000 9.157) 9.161 2.798 ( -1.377 0.000 4.091) 4.317 3.373 ( 2.967 0.000 0.570) 3.021 3.582 ( -6.465 0.000 3.554) 7.377 3.844 ( -1.221 0.000 -5.163) 5.305 4.641 ( -2.111 0.000 -1.051) 2.358 4.652 ( -11.293 0.000 0.617) 11.310 4.713 ( -1.428 0.000 5.032) 5.231 5.148 ( -2.458 0.000 -1.431) 2.844 5.797 ( -4.615 0.000 -1.505) 4.854 5.817 ( -2.562 0.000 -3.383) 4.243 6.840 ( -1.557 0.000 -15.067) 15.147 10.419 ( 0.587 0.000 1.147) 1.288 10.524 ( -2.538 0.000 -0.860) 2.679 10.903 ( 2.401 0.000 -1.239) 2.702 11.718 ( 13.008 0.000 -13.600) 18.820 12.484 ( -23.158 0.000 16.705) 28.555 12.881 ( 5.387 0.000 8.010) 9.652 20.769 ( 2.611 0.000 2.001) 3.290 21.241 ( -0.084 0.000 -1.983) 1.985 21.390 ( -0.207 0.000 -1.792) 1.804 22.482 ( 31.359 0.000 -24.487) 39.787 23.446 ( -0.885 0.000 1.129) 1.435 23.748 ( -8.155 0.000 2.079) 8.416 ======================= Grid point 101 (33/225) ======================= q-point: ( 0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 19.869 0.000 11.149) 22.784 1.260 ( 20.559 0.000 8.912) 22.407 1.774 ( 0.671 0.000 -6.362) 6.397 2.084 ( 32.192 0.000 24.043) 40.180 2.399 ( 16.936 0.000 -5.453) 17.792 2.427 ( -7.777 0.000 -7.271) 10.647 2.816 ( -1.523 0.000 7.327) 7.484 2.852 ( 3.464 0.000 3.224) 4.732 3.363 ( -5.499 0.000 5.000) 7.432 3.590 ( 6.141 0.000 -2.248) 6.540 3.790 ( -0.657 0.000 -5.224) 5.266 4.517 ( -4.053 0.000 -2.080) 4.556 4.547 ( -6.407 0.000 -1.744) 6.640 4.718 ( -2.014 0.000 8.015) 8.264 5.080 ( -2.384 0.000 -4.923) 5.470 5.683 ( -6.297 0.000 0.112) 6.298 5.715 ( -5.382 0.000 -3.622) 6.487 6.597 ( -11.723 0.000 -13.630) 17.978 10.435 ( 0.203 0.000 1.267) 1.283 10.457 ( -3.594 0.000 -1.036) 3.740 10.951 ( 3.149 0.000 -2.417) 3.970 11.746 ( -2.580 0.000 -2.926) 3.901 12.364 ( 0.671 0.000 3.775) 3.834 13.059 ( 6.995 0.000 8.211) 10.787 20.853 ( 4.511 0.000 2.287) 5.058 21.244 ( 2.157 0.000 -4.217) 4.736 21.372 ( -0.525 0.000 -2.081) 2.146 22.740 ( 11.557 0.000 -14.069) 18.208 23.388 ( -6.529 0.000 4.079) 7.698 23.623 ( -5.101 0.000 2.621) 5.735 ======================= Grid point 102 (34/225) ======================= q-point: ( 0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 17.699 0.000 10.235) 20.446 1.615 ( 8.344 0.000 0.567) 8.364 1.816 ( 8.448 0.000 0.441) 8.460 2.202 ( -9.203 0.000 -5.733) 10.842 2.681 ( 13.504 0.000 -6.199) 14.859 2.688 ( 6.170 0.000 7.374) 9.615 2.919 ( 1.710 0.000 0.293) 1.735 2.948 ( 22.404 0.000 13.475) 26.144 3.287 ( -3.511 0.000 2.636) 4.390 3.720 ( 7.095 0.000 -0.588) 7.119 3.766 ( 1.228 0.000 -4.595) 4.756 4.388 ( -8.145 0.000 -2.202) 8.438 4.435 ( -3.335 0.000 -2.190) 3.990 4.730 ( -2.774 0.000 10.465) 10.826 5.008 ( -0.308 0.000 -8.904) 8.909 5.564 ( -6.521 0.000 2.247) 6.897 5.583 ( -5.435 0.000 -3.532) 6.482 6.284 ( -11.864 0.000 -10.995) 16.175 10.378 ( -3.488 0.000 -1.546) 3.815 10.444 ( -0.263 0.000 1.688) 1.708 10.984 ( 1.692 0.000 -2.446) 2.974 11.660 ( -4.684 0.000 0.788) 4.750 12.452 ( 5.921 0.000 -0.318) 5.930 13.224 ( 4.767 0.000 6.911) 8.395 20.966 ( 5.537 0.000 2.356) 6.018 21.270 ( 3.208 0.000 -4.381) 5.430 21.342 ( -1.276 0.000 -2.192) 2.536 22.821 ( 3.493 0.000 -8.086) 8.808 23.299 ( -3.469 0.000 3.736) 5.098 23.561 ( -3.037 0.000 0.925) 3.174 ======================= Grid point 103 (35/225) ======================= q-point: ( 0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -6.497 0.000 -3.672) 7.463 1.949 ( 13.522 0.000 7.733) 15.577 1.979 ( 2.532 0.000 -2.466) 3.534 2.162 ( 7.967 0.000 4.239) 9.024 2.623 ( -7.316 0.000 -0.594) 7.340 2.865 ( 7.768 0.000 -6.812) 10.332 2.916 ( -1.339 0.000 -1.341) 1.895 3.282 ( 1.511 0.000 2.968) 3.330 3.532 ( 22.635 0.000 9.491) 24.544 3.778 ( 2.401 0.000 -3.437) 4.193 3.833 ( 4.610 0.000 -0.945) 4.706 4.233 ( -5.961 0.000 -1.722) 6.205 4.362 ( -3.098 0.000 -0.499) 3.138 4.705 ( -5.215 0.000 4.821) 7.102 4.993 ( 4.172 0.000 -6.657) 7.856 5.458 ( -6.256 0.000 3.911) 7.378 5.476 ( -3.328 0.000 -3.337) 4.713 6.043 ( -7.226 0.000 -4.060) 8.289 10.311 ( -2.403 0.000 -1.167) 2.671 10.445 ( -0.478 0.000 1.271) 1.358 10.991 ( 0.466 0.000 -1.376) 1.453 11.590 ( -3.028 0.000 1.168) 3.245 12.563 ( 5.308 0.000 -0.209) 5.312 13.316 ( 1.258 0.000 4.016) 4.209 21.089 ( 5.617 0.000 2.196) 6.031 21.294 ( -2.430 0.000 -2.101) 3.212 21.315 ( 3.492 0.000 -2.512) 4.301 22.782 ( -2.547 0.000 -5.428) 5.996 23.314 ( 2.643 0.000 1.269) 2.932 23.510 ( -2.644 0.000 0.753) 2.749 ======================= Grid point 104 (36/225) ======================= q-point: ( 0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -1.235 0.000 1.492) 1.937 2.005 ( 2.264 0.000 -1.684) 2.822 2.157 ( 2.438 0.000 1.537) 2.883 2.314 ( 1.864 0.000 3.049) 3.574 2.463 ( -5.408 0.000 -3.249) 6.309 2.886 ( 0.038 0.000 -0.226) 0.229 2.938 ( 4.318 0.000 -4.416) 6.176 3.347 ( 1.946 0.000 3.592) 4.085 3.780 ( 2.713 0.000 -3.203) 4.197 3.804 ( -1.604 0.000 -4.512) 4.788 3.937 ( 5.824 0.000 2.398) 6.299 4.154 ( -1.174 0.000 -0.565) 1.303 4.329 ( -0.178 0.000 3.134) 3.139 4.594 ( -5.779 0.000 -4.038) 7.050 5.073 ( 6.235 0.000 -3.962) 7.387 5.375 ( -5.098 0.000 6.293) 8.099 5.418 ( -0.491 0.000 -2.943) 2.984 5.992 ( 1.796 0.000 5.791) 6.064 10.276 ( -0.545 0.000 -0.681) 0.872 10.441 ( -0.535 0.000 0.808) 0.969 10.996 ( 0.611 0.000 0.125) 0.624 11.555 ( -1.354 0.000 1.151) 1.777 12.645 ( 2.829 0.000 0.722) 2.920 13.323 ( -1.806 0.000 0.582) 1.897 21.203 ( 4.063 0.000 0.746) 4.131 21.224 ( -2.928 0.000 -0.724) 3.016 21.373 ( 2.920 0.000 0.372) 2.943 22.692 ( -2.336 0.000 -6.644) 7.042 23.377 ( 2.711 0.000 0.373) 2.736 23.469 ( -2.075 0.000 1.021) 2.313 ======================= Grid point 105 (37/225) ======================= q-point: (-0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 7.647 0.000 5.450) 9.391 2.003 ( -13.823 0.000 -5.402) 14.841 2.050 ( 3.132 0.000 -0.521) 3.175 2.236 ( -9.677 0.000 0.614) 9.696 2.444 ( 3.122 0.000 -4.612) 5.570 2.927 ( 2.548 0.000 1.478) 2.946 2.995 ( 2.601 0.000 -0.826) 2.729 3.353 ( -5.034 0.000 1.027) 5.138 3.605 ( -12.656 0.000 -6.989) 14.457 3.793 ( 0.267 0.000 -2.215) 2.231 3.968 ( -2.007 0.000 1.597) 2.565 4.186 ( 4.268 0.000 1.378) 4.485 4.389 ( 2.685 0.000 4.409) 5.162 4.458 ( -3.798 0.000 -8.164) 9.004 5.145 ( 3.833 0.000 -7.775) 8.668 5.362 ( -0.662 0.000 10.351) 10.372 5.430 ( 2.881 0.000 -1.202) 3.122 6.161 ( 9.370 0.000 10.826) 14.318 10.281 ( 1.289 0.000 -0.521) 1.390 10.437 ( -0.268 0.000 0.661) 0.714 11.018 ( 1.179 0.000 1.030) 1.566 11.546 ( -0.374 0.000 0.959) 1.029 12.682 ( 0.189 0.000 2.465) 2.472 13.258 ( -4.149 0.000 -2.409) 4.798 21.126 ( -4.871 0.000 -1.679) 5.152 21.299 ( 3.609 0.000 1.648) 3.967 21.429 ( 1.594 0.000 3.316) 3.679 22.623 ( 0.358 0.000 -10.237) 10.243 23.399 ( -1.837 0.000 0.990) 2.087 23.452 ( 0.607 0.000 0.557) 0.823 ======================= Grid point 106 (38/225) ======================= q-point: (-0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -18.399 0.000 -7.445) 19.848 1.718 ( 1.236 0.000 2.262) 2.578 1.957 ( -11.237 0.000 -3.788) 11.859 2.204 ( 7.489 0.000 6.743) 10.078 2.467 ( 2.280 0.000 -6.152) 6.561 2.947 ( -1.738 0.000 -0.387) 1.780 2.978 ( -14.413 0.000 -6.052) 15.633 3.003 ( -16.148 0.000 -4.858) 16.863 3.435 ( -5.051 0.000 5.201) 7.250 3.779 ( -0.464 0.000 0.507) 0.687 3.932 ( -2.514 0.000 2.187) 3.332 4.326 ( 7.589 0.000 3.296) 8.274 4.374 ( 1.158 0.000 -7.976) 8.060 4.457 ( 1.987 0.000 2.512) 3.202 5.140 ( 1.237 0.000 -7.190) 7.296 5.458 ( 3.867 0.000 8.397) 9.244 5.504 ( 5.035 0.000 -0.936) 5.121 6.439 ( 11.915 0.000 9.725) 15.380 10.312 ( 2.107 0.000 -1.145) 2.398 10.444 ( 0.624 0.000 1.238) 1.386 11.044 ( 0.631 0.000 0.697) 0.941 11.546 ( -0.136 0.000 0.253) 0.287 12.693 ( -1.178 0.000 5.491) 5.616 13.138 ( -6.082 0.000 -3.985) 7.272 21.015 ( -5.542 0.000 -1.122) 5.655 21.365 ( 2.254 0.000 1.075) 2.498 21.469 ( -0.312 0.000 5.634) 5.643 22.578 ( 2.847 0.000 -16.234) 16.482 23.338 ( -4.500 0.000 2.042) 4.942 23.481 ( 1.638 0.000 -0.138) 1.644 ======================= Grid point 107 (39/225) ======================= q-point: (-0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -21.082 0.000 -8.020) 22.556 1.476 ( -20.565 0.000 -3.893) 20.930 1.891 ( 1.603 0.000 1.688) 2.328 2.284 ( -32.140 0.000 -5.350) 32.582 2.432 ( 10.419 0.000 5.169) 11.630 2.499 ( -3.134 0.000 -6.498) 7.214 2.832 ( -10.634 0.000 -0.930) 10.675 2.850 ( -6.645 0.000 -3.314) 7.426 3.395 ( -2.640 0.000 4.957) 5.616 3.800 ( 1.677 0.000 2.473) 2.988 3.897 ( -3.135 0.000 5.078) 5.968 4.372 ( 4.383 0.000 -6.458) 7.805 4.488 ( 0.320 0.000 -0.598) 0.678 4.529 ( 8.101 0.000 5.034) 9.537 5.130 ( 1.730 0.000 -4.940) 5.234 5.593 ( 5.633 0.000 5.205) 7.670 5.605 ( 6.214 0.000 -2.206) 6.594 6.707 ( 10.732 0.000 3.588) 11.316 10.340 ( 1.720 0.000 -1.846) 2.523 10.478 ( 1.826 0.000 1.870) 2.614 11.039 ( -1.376 0.000 -0.569) 1.489 11.535 ( -0.926 0.000 -1.552) 1.807 12.716 ( -0.627 0.000 8.690) 8.713 12.990 ( -6.601 0.000 -1.319) 6.732 20.903 ( -5.379 0.000 -0.484) 5.401 21.401 ( 1.059 0.000 0.464) 1.156 21.476 ( -2.955 0.000 6.572) 7.206 22.516 ( 3.106 0.000 -27.162) 27.339 23.273 ( -3.427 0.000 4.026) 5.287 23.501 ( 0.517 0.000 -0.808) 0.959 ======================= Grid point 108 (40/225) ======================= q-point: (-0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -21.496 0.000 -3.943) 21.854 1.006 ( -24.679 0.000 -2.958) 24.855 1.563 ( -37.935 0.000 2.055) 37.990 1.949 ( 2.758 0.000 2.730) 3.881 2.371 ( -9.740 0.000 -4.516) 10.736 2.590 ( 0.899 0.000 -6.567) 6.628 2.672 ( -3.512 0.000 0.520) 3.550 2.714 ( -1.600 0.000 3.300) 3.667 3.380 ( -1.663 0.000 3.407) 3.791 3.828 ( 0.443 0.000 -3.455) 3.484 3.921 ( 0.657 0.000 14.631) 14.646 4.447 ( 6.244 0.000 -4.232) 7.543 4.464 ( -1.306 0.000 -1.378) 1.898 4.674 ( 3.700 0.000 4.007) 5.454 5.151 ( 2.389 0.000 -1.828) 3.008 5.714 ( 6.502 0.000 -3.181) 7.238 5.731 ( 5.952 0.000 2.455) 6.438 6.859 ( 5.088 0.000 -9.331) 10.628 10.360 ( 1.385 0.000 -1.518) 2.055 10.527 ( 1.876 0.000 1.539) 2.426 10.984 ( -3.374 0.000 -1.564) 3.719 11.474 ( -3.842 0.000 -5.096) 6.382 12.737 ( -1.672 0.000 -0.464) 1.735 12.959 ( 1.449 0.000 20.935) 20.985 20.807 ( -4.265 0.000 0.212) 4.270 21.414 ( 0.260 0.000 -0.171) 0.311 21.429 ( -5.499 0.000 5.417) 7.719 22.294 ( -5.985 0.000 -49.756) 50.115 23.282 ( 1.205 0.000 8.550) 8.635 23.488 ( -1.237 0.000 -0.948) 1.558 ======================= Grid point 109 (41/225) ======================= q-point: (-0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -10.192 0.000 19.763) 22.237 0.519 ( -23.731 0.000 3.476) 23.984 0.883 ( -35.124 0.000 13.778) 37.730 2.009 ( 0.906 0.000 1.126) 1.445 2.143 ( -8.408 0.000 -3.796) 9.225 2.459 ( -3.071 0.000 -9.034) 9.541 2.672 ( 0.679 0.000 4.641) 4.690 2.792 ( 2.338 0.000 4.063) 4.688 3.361 ( -2.001 0.000 0.227) 2.014 3.825 ( 2.218 0.000 -4.303) 4.841 3.999 ( -2.746 0.000 0.896) 2.889 4.548 ( 5.811 0.000 -2.098) 6.178 4.606 ( 20.647 0.000 28.144) 34.905 4.725 ( 0.047 0.000 2.434) 2.434 5.185 ( 1.044 0.000 0.393) 1.116 5.812 ( 5.198 0.000 -2.385) 5.719 5.836 ( 3.645 0.000 0.148) 3.648 6.674 ( -16.926 0.000 -29.059) 33.629 10.378 ( 1.227 0.000 -0.615) 1.373 10.561 ( 0.748 0.000 0.730) 1.045 10.915 ( -2.201 0.000 0.077) 2.203 11.313 ( -8.334 0.000 -5.446) 9.955 12.694 ( -0.453 0.000 -1.074) 1.166 13.366 ( 23.414 0.000 33.860) 41.167 20.745 ( -2.297 0.000 0.905) 2.469 21.315 ( -12.556 0.000 -12.181) 17.493 21.412 ( -0.096 0.000 -0.793) 0.799 21.494 ( -38.765 0.000 -51.527) 64.480 23.439 ( 5.992 0.000 8.257) 10.202 23.461 ( 2.218 0.000 3.777) 4.380 ======================= Grid point 110 (42/225) ======================= q-point: ( 0.00 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.463 14.002 16.368) 21.545 0.672 ( -10.869 23.195 10.490) 27.680 1.088 ( 13.698 29.479 24.329) 40.602 2.068 ( 1.539 7.211 -5.067) 8.947 2.093 ( -3.449 7.628 -3.576) 9.104 2.548 ( 0.626 -2.930 -7.268) 7.861 2.827 ( 0.743 6.831 2.508) 7.315 2.895 ( 0.816 9.864 -7.815) 12.611 3.267 ( 0.235 -5.285 -1.081) 5.399 3.698 ( -10.536 -5.559 2.332) 12.139 3.858 ( -1.004 -2.033 -4.078) 4.666 4.312 ( 3.159 -19.097 18.670) 26.893 4.715 ( 2.098 5.598 -1.288) 6.116 4.848 ( -3.184 7.112 4.664) 9.082 5.671 ( 0.768 5.268 -16.860) 17.681 5.874 ( 0.125 2.144 -2.709) 3.457 6.075 ( -21.994 14.282 -7.198) 27.194 6.564 ( 26.678 -1.261 3.538) 26.941 10.490 ( -0.270 3.214 -6.789) 7.517 10.563 ( 0.677 0.662 -1.703) 1.948 10.895 ( -2.900 0.503 -0.282) 2.957 11.309 ( 15.561 -5.673 -0.328) 16.566 12.713 ( -1.328 -2.447 3.852) 4.753 12.770 ( -21.152 -22.357 23.741) 38.870 20.845 ( -6.914 0.415 -4.182) 8.091 21.253 ( 1.881 -2.874 1.569) 3.776 21.536 ( -1.048 12.492 -0.838) 12.564 22.109 ( 37.625 39.195 -38.012) 66.308 23.407 ( 0.288 -3.424 0.623) 3.492 23.641 ( 5.407 -7.495 8.463) 12.531 ======================= Grid point 111 (43/225) ======================= q-point: ( 0.09 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 14.123 9.732 11.613) 20.713 0.856 ( 13.651 8.002 16.711) 23.014 1.625 ( 23.950 23.933 23.246) 41.070 1.968 ( -3.875 11.468 -7.568) 14.276 2.184 ( 11.396 4.729 -4.453) 13.117 2.499 ( -1.556 -4.291 -6.474) 7.921 2.839 ( 0.042 6.807 3.896) 7.843 2.861 ( -2.111 3.864 3.260) 5.479 3.313 ( 3.042 -5.650 0.680) 6.453 3.565 ( -4.379 -1.835 3.138) 5.691 3.818 ( -1.283 -2.414 -4.245) 5.049 4.393 ( -1.172 -14.716 4.371) 15.396 4.712 ( -1.780 5.819 -1.465) 6.259 4.810 ( -2.657 8.927 5.386) 10.759 5.438 ( -9.750 16.839 -9.294) 21.564 5.814 ( -5.136 2.343 -0.487) 5.666 5.840 ( -5.198 2.421 -1.895) 6.039 6.751 ( -2.710 -7.854 -8.470) 11.865 10.463 ( 0.322 2.291 -2.096) 3.121 10.539 ( -1.904 2.228 -1.255) 3.189 10.876 ( 1.520 -2.349 -0.664) 2.876 11.594 ( 11.365 -10.634 -6.657) 16.928 12.442 ( -13.982 -2.252 13.589) 19.627 12.854 ( 6.001 -2.353 6.973) 9.496 20.770 ( 0.686 -0.158 -0.459) 0.840 21.282 ( 1.487 2.156 -1.858) 3.211 21.507 ( -1.254 11.489 -1.085) 11.608 22.556 ( 22.136 6.439 -23.423) 32.865 23.424 ( 0.145 -2.517 0.841) 2.657 23.655 ( -6.835 -7.216 6.917) 12.109 ======================= Grid point 112 (44/225) ======================= q-point: ( 0.18 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 19.395 2.725 9.190) 21.635 1.270 ( 18.676 2.803 13.909) 23.455 1.871 ( -1.358 9.399 -6.523) 11.521 2.257 ( 26.879 14.868 18.387) 35.799 2.369 ( -4.340 -3.488 -5.184) 7.608 2.448 ( 13.884 3.747 -5.047) 15.241 2.830 ( -3.561 0.704 4.291) 5.621 2.899 ( 3.659 4.177 3.185) 6.402 3.348 ( -1.778 -2.310 4.740) 5.565 3.567 ( 3.768 -1.282 -0.724) 4.046 3.768 ( -0.697 -2.072 -4.471) 4.977 4.360 ( -2.267 -11.655 -1.519) 11.971 4.626 ( -5.659 6.810 -2.101) 9.100 4.817 ( -1.241 9.076 7.590) 11.896 5.245 ( -5.820 12.706 -7.096) 15.674 5.686 ( -7.878 0.523 1.292) 8.000 5.728 ( -4.800 1.507 -3.580) 6.175 6.523 ( -12.301 -6.916 -10.330) 17.489 10.457 ( -0.780 0.987 -1.977) 2.343 10.494 ( -1.441 4.587 0.529) 4.837 10.919 ( 3.041 -3.048 -1.949) 4.726 11.664 ( -0.091 -7.613 -2.020) 7.876 12.376 ( 0.469 1.210 3.599) 3.826 13.025 ( 6.574 -3.364 7.631) 10.619 20.832 ( 4.870 -1.167 0.997) 5.106 21.302 ( 2.379 4.413 -3.862) 6.328 21.471 ( -1.665 9.754 -1.512) 10.010 22.736 ( 9.567 -0.289 -13.492) 16.542 23.383 ( -5.977 -0.659 4.001) 7.222 23.567 ( -3.941 -5.024 3.536) 7.299 ======================= Grid point 113 (45/225) ======================= q-point: ( 0.27 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 14.947 0.113 7.580) 16.759 1.682 ( 13.319 4.992 6.619) 15.689 1.848 ( 4.022 4.147 -1.632) 6.003 2.185 ( -7.746 -1.439 -4.405) 9.026 2.693 ( 13.809 1.334 -6.021) 15.123 2.716 ( -2.608 1.208 5.824) 6.494 2.868 ( 10.101 -0.383 2.321) 10.371 3.070 ( 16.505 7.977 10.000) 20.882 3.317 ( -2.718 2.084 3.060) 4.593 3.668 ( 5.927 -4.060 -0.588) 7.208 3.748 ( 1.062 -1.674 -3.281) 3.834 4.307 ( -1.681 -9.891 -2.476) 10.334 4.485 ( -6.928 8.418 -2.353) 11.153 4.829 ( -3.279 8.378 9.302) 12.941 5.115 ( -2.216 9.328 -9.363) 13.401 5.541 ( -7.038 -1.566 0.365) 7.220 5.616 ( -5.111 2.665 -1.256) 5.899 6.216 ( -12.378 -6.436 -8.526) 16.350 10.406 ( -2.295 2.682 -2.003) 4.059 10.494 ( 0.080 4.985 1.166) 5.120 10.956 ( 1.840 -2.757 -2.123) 3.936 11.620 ( -2.966 -3.849 0.427) 4.878 12.450 ( 5.042 -0.058 0.131) 5.044 13.179 ( 4.507 -4.415 6.426) 9.005 20.954 ( 6.577 -0.355 1.662) 6.793 21.328 ( 2.755 4.748 -4.023) 6.806 21.422 ( -2.429 7.849 -1.874) 8.428 22.790 ( 2.240 -3.054 -7.606) 8.496 23.300 ( -3.300 0.022 3.690) 4.951 23.528 ( -2.139 -3.074 1.047) 3.888 ======================= Grid point 114 (46/225) ======================= q-point: ( 0.36 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -5.137 7.404 -3.603) 9.706 1.879 ( 6.516 -3.917 3.928) 8.557 2.049 ( 7.348 4.472 1.690) 8.766 2.151 ( 7.034 -1.116 5.112) 8.767 2.611 ( -6.498 -1.168 -0.843) 6.655 2.855 ( 6.321 -0.381 -5.218) 8.205 2.945 ( 0.577 1.715 -2.179) 2.833 3.298 ( 0.798 1.091 3.002) 3.292 3.554 ( 18.641 1.955 6.854) 19.958 3.747 ( 3.986 -3.385 -3.641) 6.372 3.783 ( 2.754 -2.707 1.803) 4.262 4.268 ( -1.129 -7.721 -1.320) 7.913 4.352 ( -4.813 10.176 -2.096) 11.450 4.774 ( -6.722 5.597 4.325) 9.758 5.073 ( 2.995 7.620 -6.585) 10.507 5.431 ( -4.465 -1.998 0.562) 4.924 5.518 ( -4.500 3.314 -0.074) 5.589 5.980 ( -7.575 -5.898 -2.236) 9.857 10.359 ( -1.415 4.608 -1.306) 4.994 10.501 ( -0.058 5.534 0.866) 5.601 10.968 ( 0.628 -2.262 -1.163) 2.620 11.572 ( -2.241 -1.762 0.933) 3.000 12.549 ( 4.773 -1.294 -0.119) 4.947 13.266 ( 1.267 -4.911 3.693) 6.274 21.096 ( 6.664 1.102 2.074) 7.066 21.344 ( -1.699 4.594 -3.191) 5.845 21.373 ( 1.150 5.539 -1.313) 5.807 22.737 ( -3.039 -4.524 -5.088) 7.456 23.313 ( 2.394 -0.055 1.302) 2.726 23.491 ( -2.131 -1.781 0.721) 2.870 ======================= Grid point 115 (47/225) ======================= q-point: ( 0.45 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -0.906 9.056 0.613) 9.121 1.944 ( 1.286 -5.265 -0.154) 5.422 2.182 ( 1.889 2.280 0.142) 2.964 2.242 ( -1.853 -5.733 1.712) 6.263 2.518 ( -1.533 4.055 -1.860) 4.717 2.896 ( 0.328 0.325 -0.678) 0.821 2.945 ( 3.544 0.439 -3.895) 5.284 3.348 ( 1.462 0.010 3.053) 3.385 3.714 ( 2.343 -5.413 -4.444) 7.385 3.793 ( -1.840 -0.593 -2.469) 3.136 3.906 ( 5.284 -2.201 3.021) 6.472 4.249 ( -0.212 -3.149 0.464) 3.190 4.299 ( 0.566 8.400 0.461) 8.432 4.646 ( -6.081 4.429 -2.912) 8.067 5.126 ( 4.794 5.049 -4.181) 8.121 5.378 ( -1.732 -0.474 2.448) 3.036 5.450 ( -2.499 3.777 1.001) 4.638 5.924 ( 0.864 -6.439 6.192) 8.975 10.340 ( 0.092 6.159 -0.425) 6.175 10.501 ( -0.354 5.955 0.404) 5.979 10.975 ( 0.614 -1.991 0.242) 2.097 11.546 ( -1.073 -0.854 1.067) 1.738 12.623 ( 2.555 -2.125 0.518) 3.363 13.274 ( -1.668 -4.904 0.438) 5.198 21.230 ( 5.630 2.611 1.898) 6.490 21.261 ( -4.261 3.891 -1.968) 6.097 21.414 ( 2.453 3.913 0.353) 4.631 22.644 ( -2.460 -4.912 -6.297) 8.357 23.372 ( 2.441 -0.528 0.430) 2.534 23.457 ( -1.843 -1.165 0.856) 2.342 ======================= Grid point 116 (48/225) ======================= q-point: (-0.45 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 6.830 7.561 4.107) 10.986 1.921 ( -6.835 -6.681 -1.916) 9.749 2.060 ( -3.794 -0.241 -3.866) 5.422 2.193 ( -7.237 -3.045 -1.213) 7.944 2.479 ( -0.047 2.712 -4.171) 4.975 2.929 ( 2.270 -0.455 1.221) 2.618 3.003 ( 2.623 0.763 -0.860) 2.864 3.348 ( -4.372 -0.357 1.058) 4.512 3.628 ( -10.815 2.144 -5.865) 12.488 3.727 ( 0.368 -5.032 -2.040) 5.442 3.925 ( -2.250 -3.409 2.198) 4.639 4.283 ( 2.769 1.837 1.293) 3.565 4.352 ( 2.763 3.404 1.883) 4.771 4.533 ( -2.029 6.176 -5.757) 8.684 5.179 ( 3.614 2.908 -6.859) 8.280 5.403 ( 1.511 2.759 7.014) 7.687 5.441 ( 0.935 2.621 1.199) 3.031 6.072 ( 8.224 -8.579 10.629) 15.944 10.356 ( 1.509 7.114 0.220) 7.276 10.493 ( -0.521 5.734 0.075) 5.758 10.996 ( 0.994 -2.119 1.113) 2.592 11.540 ( -0.364 -0.611 0.957) 1.192 12.655 ( 0.024 -2.707 1.993) 3.361 13.212 ( -3.974 -4.650 -2.418) 6.577 21.156 ( -5.316 3.067 -1.490) 6.315 21.338 ( 4.248 3.771 1.552) 5.888 21.465 ( 1.701 3.515 3.081) 4.974 22.577 ( 0.552 -4.612 -9.741) 10.792 23.389 ( -1.884 -0.937 0.958) 2.313 23.441 ( 0.479 -1.062 0.359) 1.219 ======================= Grid point 117 (49/225) ======================= q-point: (-0.36 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -16.272 -0.928 -7.552) 17.963 1.751 ( -5.423 1.141 -0.813) 5.601 1.946 ( -5.385 1.046 -1.367) 5.653 2.162 ( 7.121 -3.475 4.661) 9.192 2.473 ( 2.048 -0.093 -5.900) 6.246 2.916 ( -8.245 -0.586 -2.369) 8.599 2.995 ( -3.679 0.576 -0.835) 3.816 3.102 ( -15.332 7.491 -6.014) 18.093 3.439 ( -6.443 0.657 3.898) 7.559 3.727 ( 0.097 -4.534 1.395) 4.745 3.891 ( -2.496 -3.309 2.306) 4.743 4.328 ( 0.975 -4.322 -0.566) 4.466 4.443 ( 6.577 8.640 1.798) 11.007 4.514 ( 2.332 7.292 -3.731) 8.517 5.195 ( 3.036 4.532 -7.459) 9.241 5.485 ( 1.846 2.416 6.165) 6.874 5.514 ( 5.963 1.725 1.587) 6.407 6.330 ( 11.115 -10.343 9.818) 18.080 10.395 ( 2.189 7.740 -0.105) 8.044 10.486 ( -0.189 4.358 0.426) 4.383 11.018 ( 0.310 -2.534 0.877) 2.699 11.538 ( -0.362 -0.825 0.295) 0.947 12.657 ( -1.488 -3.394 4.655) 5.950 13.096 ( -5.809 -4.204 -3.974) 8.198 21.040 ( -5.926 2.491 -0.579) 6.454 21.414 ( 2.943 4.931 0.762) 5.793 21.510 ( 0.110 3.721 5.401) 6.559 22.545 ( 3.589 -3.324 -15.320) 16.082 23.330 ( -4.329 -0.806 1.838) 4.772 23.463 ( 1.197 -1.768 -0.215) 2.146 ======================= Grid point 118 (50/225) ======================= q-point: (-0.27 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -20.800 0.745 -9.631) 22.934 1.431 ( -19.759 -2.969 -2.397) 20.124 1.969 ( 2.826 7.567 2.400) 8.427 2.354 ( 0.947 -0.633 1.268) 1.705 2.458 ( -17.596 8.779 -0.253) 19.666 2.493 ( -1.351 -0.926 -6.833) 7.026 2.839 ( -10.183 1.139 -3.059) 10.694 2.924 ( -5.825 6.287 -2.704) 8.987 3.376 ( -3.365 -1.692 4.887) 6.170 3.755 ( 1.236 -4.249 3.559) 5.679 3.857 ( -2.800 -3.312 4.206) 6.041 4.341 ( 0.794 -6.309 -1.045) 6.444 4.526 ( 2.732 8.105 -6.027) 10.464 4.618 ( 7.161 7.718 5.038) 11.672 5.225 ( 4.602 7.983 -6.435) 11.239 5.571 ( 4.744 -0.200 1.943) 5.130 5.653 ( 6.723 3.216 2.480) 7.855 6.587 ( 10.045 -11.092 4.590) 15.652 10.429 ( 1.761 8.335 -1.706) 8.688 10.499 ( 1.001 2.041 1.650) 2.809 11.008 ( -1.747 -3.005 -0.121) 3.478 11.520 ( -1.473 -1.548 -1.443) 2.579 12.663 ( -1.536 -4.756 7.810) 9.272 12.953 ( -6.409 -3.660 -2.201) 7.701 20.926 ( -5.547 2.195 0.528) 5.988 21.461 ( 1.667 5.889 -0.193) 6.124 21.525 ( -2.397 4.219 6.560) 8.160 22.517 ( 5.154 0.090 -24.860) 25.389 23.266 ( -3.296 -0.653 3.697) 4.996 23.474 ( 0.029 -2.654 -0.692) 2.742 ======================= Grid point 119 (51/225) ======================= q-point: (-0.18 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -19.156 4.142 -2.344) 19.739 1.032 ( -20.378 3.761 1.394) 20.769 1.802 ( -31.666 20.046 -1.985) 37.530 2.054 ( 3.311 8.937 2.648) 9.891 2.390 ( -6.124 1.578 -3.782) 7.369 2.610 ( 1.849 -3.664 5.407) 6.788 2.654 ( -0.036 2.837 -6.465) 7.060 2.807 ( -2.776 8.784 -2.949) 9.673 3.351 ( -2.314 -2.622 4.064) 5.361 3.786 ( 0.914 -4.277 -3.141) 5.385 3.872 ( -0.159 -4.037 14.497) 15.049 4.300 ( -5.177 -11.242 -2.512) 12.629 4.561 ( 4.866 9.967 -4.572) 11.997 4.765 ( 4.341 7.036 5.183) 9.758 5.311 ( 8.498 11.989 -5.151) 15.572 5.693 ( 7.126 0.074 -0.210) 7.130 5.797 ( 6.469 4.641 2.573) 8.368 6.735 ( 4.053 -10.829 -5.312) 12.724 10.452 ( 2.353 7.886 -2.635) 8.641 10.533 ( 1.217 0.728 1.349) 1.958 10.951 ( -3.459 -2.967 -0.540) 4.589 11.447 ( -4.576 -2.674 -4.603) 7.020 12.682 ( -1.190 -5.593 4.792) 7.460 12.862 ( -4.070 -6.789 10.963) 13.522 20.844 ( -3.052 2.620 2.014) 4.498 21.454 ( -3.599 1.591 0.905) 4.037 21.514 ( -0.946 9.015 3.582) 9.746 22.399 ( 1.670 9.474 -42.488) 43.564 23.273 ( 1.096 -0.805 8.259) 8.371 23.454 ( -1.580 -3.273 -0.598) 3.683 ======================= Grid point 120 (52/225) ======================= q-point: (-0.09 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -0.101 17.563 19.672) 26.371 0.692 ( -15.245 12.824 7.143) 21.163 1.208 ( -28.034 27.478 3.878) 39.446 2.097 ( -0.643 5.338 -1.292) 5.530 2.213 ( -7.233 8.212 -2.751) 11.284 2.565 ( 0.442 -2.108 -5.392) 5.806 2.756 ( 5.486 6.367 -0.167) 8.406 2.836 ( 6.240 8.841 -2.682) 11.148 3.318 ( -2.994 -3.818 0.534) 4.881 3.787 ( 1.592 -4.179 -4.393) 6.269 3.975 ( -1.261 -2.183 3.915) 4.656 4.149 ( -7.188 -18.503 15.984) 25.486 4.649 ( 5.244 7.816 -1.621) 9.551 4.845 ( 0.709 6.750 4.976) 8.415 5.533 ( 17.746 11.536 -8.327) 22.745 5.829 ( 6.194 1.826 -1.622) 6.658 5.976 ( 13.310 12.176 9.059) 20.186 6.604 ( -12.786 -5.667 -17.131) 22.115 10.496 ( 4.450 7.223 -6.299) 10.566 10.552 ( 0.074 -0.859 0.419) 0.959 10.902 ( -0.584 -0.562 1.506) 1.710 11.284 ( -7.967 -2.748 -4.770) 9.684 12.676 ( 0.205 -2.248 0.360) 2.285 12.916 ( -5.838 -24.170 27.448) 37.036 20.864 ( 3.647 1.926 4.038) 5.772 21.334 ( -8.554 -3.813 -1.575) 9.497 21.528 ( 1.119 12.770 0.431) 12.827 22.059 ( -1.423 38.986 -57.370) 69.377 23.416 ( 1.086 -3.835 5.107) 6.478 23.422 ( 4.744 -1.699 7.382) 8.938 ======================= Grid point 121 (53/225) ======================= q-point: ( 0.00 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.317 15.791 13.110) 20.526 1.154 ( -9.169 24.770 4.981) 26.879 1.687 ( 11.263 27.792 13.454) 32.867 2.171 ( 2.104 5.019 -2.399) 5.947 2.344 ( -1.001 11.666 -6.128) 13.216 2.448 ( -2.331 -2.138 -1.493) 3.498 2.901 ( 0.932 2.594 7.362) 7.861 3.073 ( 4.771 3.239 -11.978) 13.294 3.140 ( -3.214 -4.717 -3.867) 6.895 3.558 ( -5.977 -8.428 1.640) 10.462 3.816 ( -2.785 -1.739 -2.835) 4.338 4.104 ( 2.710 -5.341 13.323) 14.607 4.834 ( 1.166 6.441 -0.287) 6.552 5.051 ( -1.384 11.436 2.980) 11.899 5.717 ( 3.321 2.055 -11.108) 11.775 5.929 ( 0.606 3.189 -2.365) 4.017 6.240 ( -15.102 4.247 -3.017) 15.975 6.513 ( 10.710 -3.866 6.270) 12.998 10.489 ( -1.165 -1.517 -2.901) 3.475 10.558 ( 2.304 -1.862 -2.884) 4.134 10.922 ( -4.093 1.799 -3.396) 5.614 11.196 ( 8.138 -5.482 0.195) 9.814 12.525 ( -9.278 -4.440 13.570) 17.028 12.691 ( 2.807 -1.834 2.550) 4.213 20.832 ( -3.919 -0.497 -2.446) 4.647 21.175 ( 2.525 -4.837 1.516) 5.663 21.847 ( -0.311 18.238 -0.355) 18.244 22.616 ( 11.828 16.121 -28.204) 34.573 23.318 ( 0.128 -5.170 1.011) 5.270 23.520 ( 1.399 -5.369 10.855) 12.191 ======================= Grid point 122 (54/225) ======================= q-point: ( 0.09 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 2.913 15.098 12.392) 19.748 1.089 ( 6.922 16.795 9.905) 20.690 2.100 ( 17.050 17.199 10.150) 26.259 2.185 ( 0.762 11.539 0.005) 11.564 2.373 ( 7.474 13.887 -4.587) 16.424 2.383 ( -1.054 -4.088 -3.895) 5.744 2.899 ( -4.870 -0.401 6.599) 8.211 2.989 ( -1.978 6.743 -6.801) 9.779 3.189 ( 4.476 -5.593 0.765) 7.204 3.505 ( -0.156 -4.373 2.527) 5.053 3.767 ( -1.494 -2.315 -2.292) 3.584 4.168 ( -1.270 -8.624 4.315) 9.727 4.838 ( -1.090 6.707 -0.382) 6.806 5.029 ( -2.163 11.694 4.067) 12.569 5.642 ( -3.723 5.416 -11.567) 13.304 5.879 ( -3.679 3.331 -3.025) 5.813 5.945 ( -13.690 8.023 2.820) 16.117 6.576 ( -5.423 -9.419 -1.141) 10.928 10.473 ( 0.820 -0.429 -2.143) 2.335 10.590 ( 2.355 1.164 -3.295) 4.214 10.838 ( -1.646 -0.537 -1.026) 2.012 11.379 ( 8.688 -10.318 -1.796) 13.608 12.433 ( -5.633 1.242 7.905) 9.786 12.796 ( 5.038 -3.464 5.418) 8.169 20.776 ( 0.671 1.246 -1.751) 2.252 21.270 ( 5.230 -3.269 -0.370) 6.179 21.811 ( -2.833 18.343 -0.664) 18.572 22.691 ( 9.397 6.601 -19.337) 22.490 23.345 ( 1.704 -5.103 0.818) 5.442 23.529 ( -6.270 -5.584 9.698) 12.827 ======================= Grid point 123 (55/225) ======================= q-point: ( 0.18 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 13.536 6.741 10.331) 18.314 1.394 ( 14.129 9.023 13.453) 21.495 2.090 ( -2.613 10.899 -6.200) 12.808 2.270 ( -5.514 -5.313 -3.484) 8.413 2.498 ( 14.546 7.149 -0.372) 16.212 2.661 ( 16.096 17.358 8.537) 25.165 2.818 ( -5.633 -2.325 2.038) 6.425 2.987 ( 4.088 4.404 2.440) 6.486 3.270 ( 2.804 -4.323 1.855) 5.477 3.561 ( 3.039 0.006 3.498) 4.634 3.723 ( -1.209 -2.058 -2.786) 3.669 4.135 ( -1.941 -10.706 -2.173) 11.096 4.779 ( -3.996 8.057 -1.696) 9.152 5.028 ( -1.783 10.725 6.582) 12.710 5.474 ( -5.779 9.781 -10.318) 15.347 5.711 ( -11.047 2.079 0.264) 11.244 5.787 ( -5.446 4.693 -0.202) 7.192 6.358 ( -13.383 -9.136 -4.332) 16.773 10.478 ( 0.681 1.300 -2.103) 2.565 10.607 ( 1.422 6.029 -2.148) 6.556 10.845 ( 2.216 -3.864 -1.041) 4.574 11.486 ( 3.573 -9.783 -1.521) 10.525 12.413 ( -0.084 2.569 3.316) 4.195 12.935 ( 5.234 -5.629 6.263) 9.915 20.837 ( 5.722 2.052 -0.173) 6.081 21.354 ( 4.397 0.164 -2.816) 5.224 21.735 ( -4.333 16.345 -0.900) 16.933 22.732 ( 4.286 -0.179 -11.882) 12.633 23.354 ( -3.394 -2.446 3.207) 5.271 23.457 ( -3.305 -5.532 5.027) 8.173 ======================= Grid point 124 (56/225) ======================= q-point: ( 0.27 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 11.845 1.548 7.802) 14.268 1.775 ( 16.042 4.426 12.099) 20.575 2.000 ( -3.037 10.718 -5.380) 12.371 2.155 ( -3.734 -1.468 -1.230) 4.197 2.672 ( -3.715 -4.594 2.258) 6.325 2.753 ( 7.223 3.950 -5.359) 9.823 2.899 ( 4.952 1.668 1.958) 5.580 3.240 ( 13.616 8.729 9.030) 18.523 3.317 ( 3.246 -2.125 1.312) 4.096 3.631 ( 2.413 1.180 1.467) 3.060 3.708 ( 1.261 -2.037 -0.939) 2.574 4.096 ( 0.345 -11.156 -4.258) 11.946 4.678 ( -4.879 10.270 -2.078) 11.559 5.005 ( -5.485 8.107 6.683) 11.852 5.324 ( -2.968 11.371 -9.331) 15.006 5.515 ( -8.669 -0.710 0.202) 8.700 5.680 ( -5.176 3.286 -1.223) 6.252 6.066 ( -13.207 -7.688 -2.485) 15.483 10.474 ( 0.414 3.998 -2.194) 4.579 10.628 ( 1.509 8.275 -0.647) 8.436 10.885 ( 2.250 -4.150 -1.425) 4.931 11.517 ( 0.764 -6.458 -0.517) 6.523 12.456 ( 2.838 0.926 1.001) 3.148 13.059 ( 3.658 -7.563 5.262) 9.913 20.977 ( 7.995 2.971 0.984) 8.586 21.409 ( 3.259 2.657 -3.548) 5.501 21.635 ( -5.204 13.319 -1.259) 14.355 22.707 ( -1.427 -5.192 -6.406) 8.368 23.297 ( -2.488 -0.300 3.420) 4.240 23.453 ( -0.337 -4.293 1.241) 4.481 ======================= Grid point 125 (57/225) ======================= q-point: ( 0.36 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 1.683 -0.016 1.391) 2.183 1.893 ( -2.504 8.654 0.096) 9.010 2.115 ( 4.672 -2.469 7.033) 8.797 2.149 ( 6.346 5.566 1.827) 8.637 2.575 ( -2.772 -2.713 -0.760) 3.953 2.864 ( 4.853 1.642 -3.431) 6.166 2.945 ( -0.338 -2.561 -2.360) 3.498 3.304 ( 0.722 -0.579 1.703) 1.938 3.570 ( 8.489 -0.894 -2.119) 8.795 3.717 ( 7.145 1.398 3.630) 8.136 3.747 ( 1.914 -1.118 3.144) 3.847 4.097 ( 1.750 -8.977 -3.003) 9.626 4.581 ( -3.520 12.089 -1.730) 12.710 4.888 ( -8.466 5.568 2.272) 10.384 5.253 ( -0.438 8.351 -5.465) 9.990 5.399 ( -3.068 0.502 0.163) 3.113 5.577 ( -4.062 1.286 -1.534) 4.528 5.854 ( -8.405 -5.333 3.085) 10.421 10.475 ( 0.878 6.695 -1.446) 6.905 10.653 ( 1.167 9.618 -0.133) 9.689 10.911 ( 1.147 -3.302 -0.775) 3.580 11.522 ( -0.048 -3.381 0.322) 3.397 12.521 ( 3.132 -1.274 0.125) 3.383 13.131 ( 1.123 -8.632 2.921) 9.181 21.145 ( 8.094 3.936 1.763) 9.171 21.436 ( 0.973 4.079 -3.203) 5.277 21.530 ( -4.137 10.111 -0.941) 10.965 22.610 ( -4.594 -8.141 -4.236) 10.263 23.312 ( 1.935 -0.030 1.302) 2.332 23.446 ( -0.918 -2.674 0.674) 2.907 ======================= Grid point 126 (58/225) ======================= q-point: ( 0.45 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -0.965 2.076 -3.611) 4.275 1.880 ( -1.604 4.106 4.309) 6.165 2.119 ( -4.429 -6.392 0.977) 7.838 2.243 ( 1.093 3.976 -1.731) 4.472 2.595 ( 1.531 3.364 -1.164) 3.875 2.860 ( -1.659 -4.911 -2.229) 5.643 2.951 ( 4.050 0.580 -2.044) 4.573 3.344 ( 1.275 -0.340 1.980) 2.379 3.615 ( 1.762 -4.136 -5.346) 6.986 3.785 ( 0.174 -0.431 2.604) 2.646 3.862 ( 1.716 -2.159 0.597) 2.822 4.130 ( 2.729 -6.242 0.634) 6.842 4.534 ( -0.422 12.512 -0.800) 12.545 4.746 ( -5.456 5.639 -1.528) 7.994 5.223 ( 0.131 2.471 -3.271) 4.102 5.391 ( 1.885 3.801 -0.771) 4.313 5.529 ( -0.915 2.303 2.557) 3.561 5.780 ( -2.350 -6.235 7.600) 10.107 10.492 ( 1.319 8.480 -0.103) 8.583 10.667 ( 0.379 10.760 -0.193) 10.769 10.926 ( 0.669 -2.815 0.352) 2.915 11.523 ( -0.196 -1.552 0.896) 1.803 12.570 ( 1.702 -2.954 0.039) 3.409 13.137 ( -1.394 -8.829 0.098) 8.939 21.304 ( 7.023 4.879 1.910) 8.762 21.367 ( -5.185 6.395 -2.372) 8.568 21.512 ( 1.406 5.815 0.373) 5.994 22.504 ( -2.853 -9.064 -5.347) 10.904 23.360 ( 1.805 -0.647 0.488) 1.978 23.428 ( -1.259 -1.732 0.505) 2.200 ======================= Grid point 127 (59/225) ======================= q-point: (-0.45 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.310 -6.105 -3.676) 7.133 1.859 ( -3.115 3.278 1.569) 4.787 2.029 ( -2.074 -0.411 -1.277) 2.470 2.172 ( -6.114 1.169 -5.736) 8.465 2.520 ( -4.224 0.887 -5.055) 6.647 2.894 ( 3.207 -3.073 1.152) 4.589 3.016 ( 2.270 0.557 -0.055) 2.338 3.348 ( -2.559 0.416 1.747) 3.126 3.604 ( -0.930 -4.043 -3.496) 5.425 3.719 ( -6.979 3.892 -2.557) 8.390 3.846 ( -1.691 -4.456 2.555) 5.407 4.184 ( 1.269 -6.939 1.408) 7.194 4.555 ( 2.783 11.653 0.063) 11.981 4.683 ( 0.617 8.807 -3.212) 9.395 5.223 ( 1.960 0.721 -3.399) 3.989 5.447 ( 4.824 3.131 -2.790) 6.392 5.553 ( -0.232 6.833 7.051) 9.821 5.863 ( 5.234 -11.303 10.558) 16.329 10.521 ( 1.151 8.549 1.247) 8.716 10.664 ( -0.447 11.627 -0.611) 11.652 10.943 ( 0.557 -3.064 1.161) 3.324 11.523 ( -0.433 -1.056 1.050) 1.551 12.586 ( -0.266 -3.910 0.822) 4.004 13.081 ( -3.474 -8.440 -2.424) 9.443 21.243 ( -6.241 5.664 -1.248) 8.520 21.438 ( 5.721 6.016 1.261) 8.397 21.552 ( 1.590 4.989 2.498) 5.801 22.446 ( 1.194 -8.479 -8.329) 11.945 23.367 ( -1.874 -1.128 0.764) 2.317 23.413 ( 0.050 -1.671 -0.040) 1.672 ======================= Grid point 128 (60/225) ======================= q-point: (-0.36 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -9.731 -2.562 -7.745) 12.698 1.693 ( -13.808 -5.693 -6.253) 16.192 2.066 ( 3.545 9.064 2.502) 10.049 2.100 ( 4.843 -1.711 1.288) 5.295 2.442 ( -0.316 -3.216 -6.470) 7.232 2.916 ( -2.691 -0.217 -0.019) 2.700 3.011 ( -2.840 1.307 -1.187) 3.344 3.234 ( -9.492 5.321 -2.517) 11.169 3.462 ( -9.149 1.195 0.133) 9.227 3.650 ( -0.705 -2.046 2.236) 3.111 3.822 ( -2.397 -3.468 2.269) 4.788 4.194 ( -0.373 -8.359 0.336) 8.374 4.641 ( 5.505 10.572 0.742) 11.942 4.716 ( 4.215 11.922 -3.335) 13.078 5.264 ( 4.954 1.635 -4.871) 7.137 5.535 ( 5.749 3.014 -4.324) 7.800 5.605 ( 1.354 6.978 9.185) 11.614 6.082 ( 9.814 -13.525 10.522) 19.748 10.546 ( 0.337 6.384 1.893) 6.667 10.647 ( -0.639 12.168 -1.190) 12.243 10.954 ( -0.413 -3.694 1.242) 3.919 11.514 ( -1.207 -1.687 0.539) 2.143 12.576 ( -1.628 -4.394 2.644) 5.381 12.979 ( -4.935 -7.509 -3.861) 9.780 21.112 ( -6.804 4.893 0.106) 8.381 21.537 ( 3.418 5.863 0.518) 6.806 21.598 ( 1.297 5.808 4.148) 7.254 22.453 ( 5.883 -5.827 -12.591) 15.070 23.312 ( -3.871 -0.879 1.261) 4.165 23.417 ( 0.102 -2.758 -0.394) 2.788 ======================= Grid point 129 (61/225) ======================= q-point: (-0.27 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -17.429 1.992 -10.364) 20.375 1.414 ( -13.162 1.660 -0.574) 13.279 2.148 ( 3.531 8.037 1.420) 8.893 2.279 ( 7.851 -3.264 5.667) 10.218 2.429 ( 2.948 -5.752 -6.153) 8.924 2.712 ( -17.737 13.481 -3.212) 22.509 2.888 ( -6.979 3.930 -4.855) 9.366 3.050 ( -5.013 5.610 -2.626) 7.969 3.343 ( -5.139 -1.354 4.461) 6.938 3.656 ( -0.974 -5.186 4.125) 6.698 3.791 ( -2.129 -3.020 3.519) 5.102 4.177 ( -1.626 -9.290 -0.850) 9.470 4.733 ( 3.843 10.688 -3.254) 11.815 4.808 ( 5.885 11.229 1.775) 12.802 5.362 ( 8.558 4.654 -6.581) 11.757 5.613 ( 5.034 4.659 -1.712) 7.070 5.728 ( 6.015 4.693 6.333) 9.915 6.332 ( 9.709 -13.379 6.962) 17.937 10.552 ( -0.736 3.229 1.430) 3.607 10.632 ( 0.113 11.300 -1.899) 11.459 10.935 ( -2.258 -3.960 1.050) 4.678 11.474 ( -3.019 -3.157 -1.045) 4.492 12.562 ( -2.043 -4.797 5.169) 7.342 12.856 ( -5.223 -6.022 -3.082) 8.546 20.986 ( -6.442 4.017 1.551) 7.749 21.542 ( -3.566 0.295 1.754) 3.985 21.672 ( 3.934 11.359 2.157) 12.213 22.518 ( 9.953 -0.165 -18.276) 20.811 23.252 ( -2.979 -0.674 2.699) 4.076 23.406 ( -1.044 -4.016 -0.514) 4.181 ======================= Grid point 130 (62/225) ======================= q-point: (-0.18 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -7.251 13.771 2.690) 15.794 1.160 ( -12.515 9.047 1.804) 15.547 2.191 ( -2.258 9.347 -1.289) 9.702 2.225 ( -19.155 12.129 -4.878) 23.191 2.408 ( 1.635 0.613 2.118) 2.745 2.547 ( 3.094 -0.655 2.403) 3.972 2.727 ( -4.290 6.182 -3.898) 8.475 2.997 ( 1.741 8.596 -6.324) 10.812 3.291 ( -3.446 -3.275 4.654) 6.653 3.658 ( -0.739 -8.393 1.957) 8.649 3.804 ( -0.025 -2.345 10.151) 10.419 4.102 ( -5.092 -8.443 -3.490) 10.459 4.773 ( 2.731 9.999 -3.260) 10.866 4.935 ( 4.797 9.974 4.005) 11.770 5.504 ( 10.355 7.013 -8.338) 15.031 5.733 ( 8.081 3.755 -1.290) 9.004 5.902 ( 8.107 5.893 6.717) 12.065 6.506 ( 4.752 -11.308 0.998) 12.306 10.540 ( -0.978 1.046 0.773) 1.627 10.619 ( -0.101 6.452 -4.102) 7.646 10.894 ( -1.867 -1.767 1.771) 3.121 11.375 ( -5.897 -4.591 -3.607) 8.298 12.561 ( -2.008 -5.235 7.612) 9.454 12.753 ( -4.466 -4.804 0.632) 6.590 20.894 ( -4.000 2.713 2.824) 5.598 21.430 ( -8.232 -3.805 -0.067) 9.069 21.758 ( 3.726 14.950 1.106) 15.446 22.593 ( 10.669 8.582 -26.996) 30.270 23.253 ( 0.800 -1.196 7.066) 7.211 23.371 ( -2.137 -4.801 -0.139) 5.257 ======================= Grid point 131 (63/225) ======================= q-point: (-0.09 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -7.827 14.128 10.257) 19.133 1.091 ( 5.829 23.734 10.328) 26.533 1.766 ( -19.535 26.224 -0.928) 32.714 2.178 ( -0.792 2.676 -2.643) 3.844 2.405 ( -1.600 4.684 -2.547) 5.567 2.512 ( -4.160 4.394 -0.487) 6.070 2.785 ( 6.129 -0.241 4.445) 7.575 3.024 ( 5.302 5.489 -9.395) 12.104 3.241 ( -3.318 -3.095 -1.696) 4.845 3.642 ( -2.073 -10.262 0.069) 10.470 3.930 ( 4.044 -2.141 16.972) 17.578 3.944 ( -7.596 -4.118 -4.163) 9.591 4.807 ( 2.159 7.555 -1.536) 8.006 5.027 ( 1.921 10.703 3.802) 11.519 5.651 ( 9.495 4.110 -10.006) 14.393 5.875 ( 6.340 2.678 -2.222) 7.232 6.164 ( 14.603 5.966 9.902) 18.625 6.493 ( -5.722 -5.335 -4.209) 8.884 10.528 ( -0.859 -1.275 0.527) 1.625 10.569 ( -1.172 0.208 -6.332) 6.442 10.918 ( 3.324 2.146 1.121) 4.112 11.214 ( -7.028 -4.138 -4.053) 9.107 12.571 ( -3.244 -6.103 11.641) 13.538 12.686 ( -3.500 -3.650 2.830) 5.795 20.872 ( -0.495 0.194 2.470) 2.526 21.245 ( -8.721 -5.265 -1.884) 10.360 21.824 ( 2.449 17.150 0.288) 17.326 22.599 ( 9.316 17.485 -33.000) 38.490 23.330 ( -1.800 -4.733 1.301) 5.228 23.375 ( 5.099 -3.069 10.459) 12.034 ======================= Grid point 132 (64/225) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 0.955 16.336 9.105) 18.726 1.620 ( -8.588 22.193 2.183) 23.897 2.001 ( 5.981 -1.589 3.193) 6.964 2.235 ( 2.360 5.319 3.619) 6.853 2.483 ( 2.288 12.188 0.165) 12.402 2.638 ( -1.805 11.098 -3.663) 11.826 2.925 ( -5.431 -2.891 3.151) 6.913 2.967 ( 7.817 -2.824 4.675) 9.536 3.166 ( 0.450 0.195 -12.079) 12.089 3.372 ( -1.382 -10.402 -0.291) 10.497 3.809 ( -3.781 1.430 -1.468) 4.301 4.030 ( 0.314 -3.189 8.873) 9.434 4.970 ( 0.743 7.390 0.491) 7.443 5.219 ( -0.697 4.465 1.889) 4.899 5.796 ( 2.050 6.271 -7.119) 9.706 5.988 ( 1.162 2.537 -1.751) 3.294 6.286 ( -7.563 0.974 -0.756) 7.663 6.422 ( 2.284 -5.078 5.047) 7.515 10.459 ( -0.820 -1.268 -1.783) 2.337 10.507 ( 1.432 -2.768 -1.007) 3.275 10.954 ( -3.201 1.500 -4.633) 5.828 11.100 ( 4.366 -4.236 -1.229) 6.206 12.501 ( -3.286 0.952 6.861) 7.666 12.648 ( 1.936 -2.523 2.323) 3.938 20.841 ( -2.315 1.441 -1.354) 3.044 21.072 ( 1.862 -5.428 1.225) 5.868 22.223 ( 0.538 19.391 -0.840) 19.416 22.830 ( 4.594 6.183 -18.008) 19.586 23.219 ( 0.006 -4.306 1.059) 4.434 23.410 ( 0.333 -6.023 9.708) 11.430 ======================= Grid point 133 (65/225) ======================= q-point: ( 0.09 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 4.296 14.313 10.867) 18.478 1.468 ( -4.261 19.779 4.729) 20.778 2.100 ( 2.218 -8.576 -0.396) 8.867 2.299 ( 0.890 -1.401 -0.374) 1.701 2.555 ( 1.973 15.141 1.666) 15.359 2.714 ( 13.039 17.343 1.233) 21.733 2.839 ( -4.554 -3.664 3.133) 6.632 3.086 ( -2.870 2.811 -5.080) 6.476 3.127 ( 5.178 -1.418 1.514) 5.577 3.394 ( 4.185 -6.776 2.049) 8.224 3.745 ( -2.216 0.574 -1.008) 2.501 4.030 ( -3.717 -6.056 3.280) 7.826 4.972 ( -1.189 6.913 0.338) 7.023 5.200 ( -2.176 4.440 2.518) 5.548 5.754 ( -1.813 7.261 -6.934) 10.202 5.943 ( -4.538 2.930 -2.876) 6.120 6.082 ( -11.921 5.167 1.050) 13.035 6.394 ( -7.336 -8.840 1.238) 11.554 10.466 ( 2.239 -0.129 -1.728) 2.831 10.567 ( 5.112 -2.774 -1.581) 6.027 10.869 ( -2.361 3.241 -3.515) 5.332 11.199 ( 5.985 -8.024 -2.079) 10.224 12.480 ( -2.232 3.212 4.944) 6.304 12.721 ( 3.239 -4.144 4.240) 6.756 20.826 ( 2.261 3.765 -1.334) 4.590 21.173 ( 6.690 -6.138 0.421) 9.089 22.188 ( -3.611 19.304 -0.753) 19.654 22.793 ( 1.521 3.012 -14.164) 14.561 23.247 ( 1.953 -4.157 1.289) 4.771 23.418 ( -4.835 -5.962 8.628) 11.548 ======================= Grid point 134 (66/225) ======================= q-point: ( 0.18 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 5.241 11.027 9.805) 15.659 1.599 ( 8.947 11.394 11.019) 18.202 2.106 ( -0.230 -6.920 -0.319) 6.931 2.286 ( -0.795 1.840 -3.229) 3.800 2.594 ( 0.791 3.253 0.229) 3.355 2.781 ( 0.069 0.494 -3.426) 3.462 2.950 ( -1.275 8.875 3.373) 9.580 3.100 ( 13.298 8.969 3.502) 16.418 3.211 ( 2.927 -1.861 2.062) 4.035 3.541 ( 7.243 -2.295 5.457) 9.354 3.701 ( -1.681 -0.034 -1.483) 2.242 3.947 ( -4.237 -8.263 -2.484) 9.613 4.928 ( -2.853 7.059 -0.803) 7.656 5.170 ( -3.085 2.880 3.482) 5.471 5.658 ( -3.321 9.777 -6.884) 12.410 5.762 ( -11.850 2.962 -2.443) 12.457 5.887 ( -8.500 4.287 0.202) 9.522 6.187 ( -13.054 -7.884 0.495) 15.259 10.509 ( 3.038 1.860 -1.943) 4.057 10.673 ( 6.653 -1.115 -2.353) 7.144 10.827 ( -0.373 3.902 -2.068) 4.432 11.295 ( 5.130 -9.470 -2.267) 11.006 12.478 ( -0.473 4.029 3.162) 5.144 12.813 ( 3.250 -6.524 4.827) 8.742 20.912 ( 6.815 5.415 -0.366) 8.712 21.306 ( 6.921 -4.731 -1.396) 8.499 22.078 ( -6.969 17.754 -0.887) 19.093 22.717 ( -2.281 -1.893 -9.182) 9.649 23.292 ( 0.597 -3.306 2.149) 3.988 23.362 ( -3.635 -4.292 5.350) 7.763 ======================= Grid point 135 (67/225) ======================= q-point: ( 0.27 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 7.350 4.839 9.291) 12.797 1.859 ( 9.655 3.851 12.565) 16.307 2.125 ( 1.876 -1.204 1.996) 2.993 2.228 ( -1.881 10.692 -6.046) 12.426 2.546 ( -6.059 -7.156 4.071) 10.222 2.822 ( 5.847 -0.089 -6.200) 8.523 2.916 ( -1.526 2.809 1.313) 3.456 3.248 ( 1.649 -3.193 0.029) 3.594 3.420 ( 12.307 7.828 3.518) 15.004 3.673 ( 0.450 0.977 -0.013) 1.076 3.689 ( 2.883 1.323 6.029) 6.813 3.880 ( 1.398 -10.532 -5.795) 12.102 4.863 ( -3.056 8.234 -1.289) 8.877 5.105 ( -5.717 1.726 2.470) 6.462 5.490 ( -10.928 2.866 -4.803) 12.276 5.580 ( -3.553 9.061 -2.105) 9.958 5.714 ( -8.733 -0.038 -3.228) 9.310 5.956 ( -10.866 -3.058 4.017) 11.982 10.556 ( 3.037 4.196 -2.049) 5.570 10.783 ( 5.869 0.706 -2.386) 6.374 10.824 ( 0.897 4.753 -0.859) 4.913 11.373 ( 4.097 -8.183 -1.630) 9.295 12.495 ( 0.611 3.179 1.736) 3.673 12.895 ( 2.213 -8.809 3.995) 9.922 21.069 ( 8.776 6.085 0.550) 10.694 21.416 ( 5.436 -2.023 -2.355) 6.260 21.919 ( -8.458 14.965 -1.143) 17.228 22.589 ( -6.468 -6.910 -4.854) 10.637 23.289 ( -0.750 -0.477 2.768) 2.907 23.371 ( 1.079 -3.764 1.395) 4.157 ======================= Grid point 136 (68/225) ======================= q-point: ( 0.36 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -1.331 1.611 5.816) 6.180 2.027 ( -1.635 -2.205 8.779) 9.198 2.124 ( -1.884 8.911 -2.452) 9.432 2.261 ( 6.570 5.867 1.998) 9.032 2.498 ( 2.435 -4.958 0.477) 5.544 2.829 ( -3.668 -8.744 -2.693) 9.857 2.937 ( 3.990 5.721 -2.908) 7.557 3.280 ( 2.290 -2.039 0.136) 3.069 3.555 ( 3.545 0.011 -6.018) 6.985 3.718 ( -0.421 -1.720 2.584) 3.133 3.768 ( 5.627 2.152 4.977) 7.814 3.941 ( 5.191 -6.181 -1.289) 8.174 4.800 ( -2.526 9.743 -0.981) 10.112 4.981 ( -7.338 3.658 0.515) 8.215 5.291 ( -6.642 -1.223 -2.224) 7.110 5.496 ( -4.054 -2.211 -5.764) 7.386 5.568 ( -3.596 6.676 2.196) 7.894 5.820 ( -6.532 0.879 5.602) 8.650 10.603 ( 2.840 5.982 -1.481) 6.785 10.839 ( 1.043 -0.962 0.440) 1.486 10.871 ( 3.958 9.264 -2.025) 10.275 11.435 ( 2.941 -5.617 -0.448) 6.356 12.517 ( 0.830 1.344 0.490) 1.654 12.941 ( 0.549 -10.336 2.085) 10.558 21.246 ( 8.649 6.064 1.180) 10.629 21.487 ( 3.124 0.800 -2.297) 3.960 21.751 ( -7.668 12.009 -1.141) 14.294 22.427 ( -7.050 -10.226 -3.247) 12.838 23.313 ( 1.686 0.193 1.169) 2.061 23.393 ( 0.367 -2.594 0.693) 2.710 ======================= Grid point 137 (69/225) ======================= q-point: ( 0.45 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -5.995 -1.792 -1.153) 6.363 1.950 ( -7.832 -5.558 2.027) 9.815 2.103 ( 0.707 8.776 0.074) 8.805 2.334 ( 0.048 5.056 -3.215) 5.992 2.623 ( 3.353 -1.074 -1.064) 3.678 2.706 ( -1.788 -9.943 -3.156) 10.584 3.000 ( 3.406 5.211 -0.074) 6.226 3.334 ( 1.987 -1.036 1.656) 2.786 3.562 ( 1.542 -1.151 -5.795) 6.106 3.740 ( 0.713 -4.439 2.645) 5.216 3.846 ( 0.124 0.822 0.463) 0.952 4.022 ( 2.593 -4.788 1.226) 5.581 4.761 ( -0.886 10.209 -0.588) 10.264 4.866 ( -3.464 6.513 -0.122) 7.378 5.205 ( -1.603 -2.806 -1.010) 3.386 5.422 ( 0.227 -7.066 -3.097) 7.719 5.567 ( 0.734 7.434 4.726) 8.839 5.755 ( -3.837 2.031 5.753) 7.207 10.645 ( 1.983 6.693 -0.370) 6.991 10.862 ( 0.645 -0.877 1.692) 2.012 10.917 ( 1.899 11.420 -1.537) 11.678 11.478 ( 1.299 -3.397 0.708) 3.705 12.529 ( 0.320 -0.517 -0.423) 0.740 12.939 ( -1.236 -10.865 -0.261) 10.939 21.411 ( 7.283 5.550 1.275) 9.245 21.486 ( -2.764 4.868 -2.079) 5.972 21.644 ( -1.824 7.958 0.018) 8.164 22.299 ( -3.529 -11.600 -4.063) 12.787 23.350 ( 1.142 -0.301 0.425) 1.255 23.393 ( -0.571 -1.678 0.245) 1.790 ======================= Grid point 138 (70/225) ======================= q-point: (-0.45 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -1.678 -4.865 -4.774) 7.020 1.793 ( -7.375 -7.502 -5.115) 11.698 2.137 ( 2.129 6.746 0.213) 7.077 2.225 ( -5.819 4.259 -7.643) 10.507 2.504 ( -5.819 -1.906 -4.710) 7.726 2.806 ( 4.499 -6.138 1.569) 7.770 3.060 ( 1.833 4.946 1.832) 5.584 3.356 ( -1.216 -0.059 2.503) 2.783 3.551 ( -0.164 -1.050 -3.826) 3.971 3.741 ( -2.631 -4.379 -1.235) 5.256 3.806 ( -3.025 2.680 1.793) 4.421 4.044 ( -0.751 -7.008 0.674) 7.081 4.768 ( 2.252 9.951 -0.195) 10.205 4.861 ( 2.593 8.865 -0.213) 9.239 5.202 ( 1.707 -2.338 -0.743) 2.989 5.464 ( 5.738 -5.384 -4.076) 8.862 5.654 ( 3.872 3.765 9.092) 10.575 5.740 ( -1.040 1.459 6.267) 6.518 10.669 ( 0.199 6.329 0.673) 6.368 10.881 ( 0.112 -2.409 1.945) 3.098 10.928 ( -0.083 13.731 -0.625) 13.746 11.491 ( -0.701 -2.702 1.334) 3.094 12.524 ( -0.467 -1.636 -0.577) 1.797 12.892 ( -2.710 -10.445 -2.379) 11.050 21.369 ( -6.606 6.817 -1.055) 9.551 21.544 ( 4.563 3.760 1.073) 6.010 21.664 ( 2.872 6.900 1.082) 7.552 22.254 ( 2.413 -10.749 -6.260) 12.671 23.349 ( -1.706 -0.670 0.403) 1.877 23.380 ( -0.556 -1.609 -0.308) 1.730 ======================= Grid point 139 (71/225) ======================= q-point: (-0.36 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -2.235 -2.741 -9.190) 9.847 1.582 ( -8.995 -4.815 -5.398) 11.543 2.070 ( -1.322 -0.249 -4.355) 4.558 2.244 ( 5.662 3.555 -0.715) 6.724 2.383 ( -4.004 1.277 -2.288) 4.785 2.865 ( 1.930 -5.355 0.041) 5.692 3.075 ( -1.970 5.483 1.467) 6.008 3.309 ( -4.959 2.239 0.402) 5.456 3.470 ( -6.924 0.315 -2.238) 7.283 3.648 ( -4.122 0.019 -0.609) 4.167 3.772 ( -2.447 -0.932 2.406) 3.556 4.021 ( -1.353 -8.701 0.313) 8.811 4.838 ( 4.081 9.042 0.853) 9.957 4.933 ( 4.455 9.081 -1.550) 10.233 5.271 ( 6.566 0.087 -1.861) 6.825 5.573 ( 8.008 -1.221 -5.405) 9.738 5.748 ( 1.240 6.625 6.280) 9.212 5.865 ( 7.946 -6.375 11.582) 15.425 10.659 ( -1.716 5.156 1.047) 5.534 10.875 ( -1.786 -1.376 -0.929) 2.438 10.916 ( -1.117 11.538 2.343) 11.826 11.465 ( -2.767 -3.616 1.107) 4.685 12.508 ( -0.912 -1.832 0.293) 2.067 12.812 ( -3.451 -9.072 -3.549) 10.334 21.228 ( -7.496 6.796 0.208) 10.121 21.575 ( -2.258 -1.373 1.867) 3.236 21.770 ( 7.203 10.414 0.215) 12.664 22.323 ( 9.086 -7.346 -8.562) 14.485 23.299 ( -3.294 -0.353 0.552) 3.358 23.362 ( -1.144 -2.598 -0.497) 2.882 ======================= Grid point 140 (72/225) ======================= q-point: (-0.27 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -7.483 6.154 -6.546) 11.693 1.481 ( -5.280 4.437 -1.750) 7.115 2.100 ( 3.054 -7.122 1.427) 7.879 2.266 ( 0.173 -9.924 -5.258) 11.232 2.414 ( 5.674 11.033 2.204) 12.601 2.912 ( 1.371 3.372 -1.928) 4.119 2.977 ( -6.611 5.853 -1.484) 8.954 3.147 ( -8.589 5.657 -5.300) 11.570 3.327 ( -6.909 -0.378 3.242) 7.642 3.571 ( -4.865 -3.656 2.198) 6.470 3.751 ( -0.944 -0.735 3.023) 3.251 4.001 ( -1.073 -8.224 0.095) 8.294 4.910 ( 2.317 7.318 0.420) 7.687 5.008 ( 4.586 7.305 -1.285) 8.720 5.433 ( 11.053 4.072 -3.423) 12.266 5.696 ( 7.784 1.990 -5.988) 10.020 5.841 ( 4.732 6.287 6.979) 10.518 6.107 ( 9.525 -8.644 9.516) 16.000 10.618 ( -2.909 3.414 0.869) 4.568 10.799 ( -4.745 0.875 -2.415) 5.396 10.914 ( -0.714 6.494 2.710) 7.073 11.393 ( -4.881 -5.122 -0.326) 7.082 12.497 ( -0.865 -1.460 2.027) 2.644 12.726 ( -3.159 -6.897 -3.034) 8.170 21.085 ( -7.603 5.999 1.392) 9.784 21.491 ( -7.026 -4.997 0.875) 8.666 21.924 ( 8.274 13.544 -0.365) 15.876 22.492 ( 13.647 -3.077 -10.623) 17.566 23.243 ( -2.682 -0.180 1.354) 3.010 23.328 ( -2.076 -3.588 -0.336) 4.159 ======================= Grid point 141 (73/225) ======================= q-point: (-0.18 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -1.326 15.033 4.043) 15.624 1.380 ( -1.493 13.107 1.535) 13.281 2.104 ( -2.076 -9.460 -2.195) 9.931 2.317 ( 3.550 -9.680 4.280) 11.163 2.508 ( 1.154 12.632 -2.783) 12.987 2.704 ( -9.312 12.573 -1.984) 15.771 2.904 ( -6.506 10.515 -4.553) 13.177 3.095 ( 5.299 0.220 -5.964) 7.981 3.217 ( -5.608 -3.981 2.583) 7.346 3.488 ( -5.336 -8.251 3.745) 10.516 3.789 ( 2.209 0.893 7.181) 7.566 3.970 ( -2.144 -5.162 -0.926) 5.666 4.936 ( 1.020 6.975 -0.996) 7.119 5.102 ( 4.774 5.344 1.228) 7.270 5.625 ( 10.364 6.384 -4.843) 13.101 5.807 ( 7.391 2.935 -4.907) 9.344 6.014 ( 8.482 5.189 6.680) 11.979 6.315 ( 6.485 -7.961 5.346) 11.576 10.561 ( -3.292 1.225 0.569) 3.558 10.672 ( -6.206 -0.881 -3.056) 6.974 10.926 ( 0.845 4.841 1.446) 5.123 11.274 ( -6.345 -5.558 -2.611) 8.830 12.500 ( -0.818 -1.000 4.259) 4.450 12.660 ( -2.254 -4.620 -1.075) 5.251 20.961 ( -5.889 4.238 2.136) 7.564 21.324 ( -9.712 -6.543 -0.871) 11.743 22.073 ( 7.086 16.546 -0.676) 18.012 22.694 ( 13.795 1.006 -14.555) 20.079 23.228 ( -0.172 -1.330 4.170) 4.380 23.282 ( -2.442 -3.749 0.508) 4.503 ======================= Grid point 142 (74/225) ======================= q-point: (-0.09 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -4.481 15.308 5.865) 16.994 1.541 ( 10.017 21.342 9.167) 25.296 2.022 ( -5.334 -4.966 -2.520) 7.711 2.273 ( -7.894 8.680 -0.065) 11.733 2.454 ( 1.071 6.968 0.284) 7.056 2.723 ( -0.297 10.225 -2.636) 10.563 2.785 ( 2.494 2.094 2.887) 4.352 3.041 ( -5.841 -1.912 -1.494) 6.325 3.205 ( 2.860 -1.938 -9.363) 9.980 3.416 ( -3.670 -12.205 2.279) 12.947 3.895 ( -2.106 -0.633 -0.646) 2.292 3.922 ( 2.265 0.109 10.121) 10.371 4.950 ( 1.119 7.308 -0.573) 7.416 5.189 ( 2.647 4.381 2.193) 5.568 5.755 ( 6.392 6.789 -6.579) 11.412 5.924 ( 6.285 2.037 -2.591) 7.097 6.231 ( 9.196 1.679 5.563) 10.878 6.398 ( -0.518 -4.412 2.161) 4.941 10.505 ( -2.571 -0.921 0.141) 2.735 10.544 ( -4.302 -1.941 -3.005) 5.595 10.967 ( 2.855 2.499 -0.756) 3.869 11.132 ( -5.491 -3.957 -3.688) 7.708 12.511 ( -1.761 -0.618 6.710) 6.964 12.628 ( -0.736 -2.801 0.492) 2.937 20.889 ( -2.805 1.748 1.543) 3.647 21.134 ( -7.776 -5.737 -1.194) 9.737 22.180 ( 4.250 18.563 -0.888) 19.064 22.816 ( 8.821 5.208 -18.930) 21.524 23.233 ( -1.698 -4.626 0.791) 4.991 23.310 ( 2.906 -3.386 8.906) 9.961 ======================= Grid point 143 (75/225) ======================= q-point: ( 0.00 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 1.275 15.406 5.648) 16.458 1.800 ( 0.655 -12.559 2.470) 12.817 2.025 ( -5.468 16.595 1.393) 17.528 2.264 ( -3.047 -5.749 0.999) 6.583 2.706 ( 5.533 6.316 6.819) 10.817 2.758 ( 2.443 0.770 2.057) 3.285 2.906 ( -3.152 6.754 -1.643) 7.632 3.018 ( 4.329 4.966 -0.095) 6.588 3.102 ( -1.338 -6.823 -4.394) 8.225 3.170 ( 3.742 -8.904 -4.119) 10.500 3.870 ( -3.185 4.340 0.868) 5.453 3.959 ( -1.676 -4.240 4.657) 6.517 5.115 ( 0.222 6.968 0.984) 7.041 5.223 ( -0.199 -3.368 1.217) 3.587 5.935 ( 1.364 6.517 -2.906) 7.265 6.010 ( 1.530 -0.925 -1.201) 2.154 6.295 ( -3.715 0.506 -0.140) 3.752 6.332 ( -1.835 -3.573 1.825) 4.411 10.446 ( -0.308 0.036 -1.088) 1.131 10.462 ( 0.425 -1.656 -0.659) 1.833 10.985 ( -1.132 1.809 -4.117) 4.638 11.030 ( 1.520 -2.875 -2.775) 4.275 12.539 ( -0.595 2.588 3.895) 4.714 12.594 ( 0.909 -2.884 2.650) 4.020 20.889 ( -0.771 3.368 -0.284) 3.467 20.970 ( 0.687 -4.816 0.623) 4.905 22.580 ( 1.238 16.248 -3.215) 16.609 22.825 ( 2.072 -7.413 -9.282) 12.058 23.195 ( 0.048 2.616 1.965) 3.272 23.289 ( -0.071 -5.982 5.853) 8.369 ======================= Grid point 144 (76/225) ======================= q-point: ( 0.09 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 2.688 13.323 7.378) 15.465 1.788 ( -4.302 4.279 4.300) 7.437 1.943 ( -0.500 1.330 1.920) 2.389 2.172 ( -4.795 -11.548 1.259) 12.567 2.773 ( -0.112 6.513 -4.677) 8.019 2.814 ( -0.383 0.628 -3.119) 3.204 3.002 ( 12.892 10.374 7.719) 18.259 3.091 ( 0.082 -1.752 0.163) 1.762 3.118 ( 2.608 1.542 2.051) 3.659 3.245 ( 7.842 -8.328 0.536) 11.451 3.800 ( -3.888 4.867 -0.152) 6.231 3.913 ( -4.645 -6.048 1.543) 7.781 5.105 ( -1.914 6.373 0.870) 6.711 5.204 ( -2.297 -3.167 1.337) 4.134 5.909 ( -2.099 7.067 -2.671) 7.841 5.979 ( -3.840 0.036 -2.159) 4.405 6.151 ( -9.868 2.753 -0.578) 10.261 6.239 ( -8.365 -6.601 0.531) 10.669 10.474 ( 3.619 1.098 -1.305) 4.000 10.510 ( 4.694 -2.543 -1.015) 5.434 10.950 ( 0.281 4.878 -4.050) 6.346 11.060 ( 3.209 -6.298 -3.258) 7.783 12.553 ( -0.323 4.100 3.786) 5.590 12.636 ( 1.392 -4.362 3.644) 5.851 20.920 ( 4.295 5.742 -0.410) 7.183 21.044 ( 6.031 -6.678 0.313) 9.003 22.538 ( -3.772 15.542 -2.729) 16.225 22.765 ( -2.749 -6.723 -7.916) 10.743 23.217 ( 0.849 1.681 2.322) 2.990 23.299 ( -2.237 -5.794 5.454) 8.266 ======================= Grid point 145 (77/225) ======================= q-point: ( 0.18 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.728 10.724 8.333) 13.600 1.794 ( 0.939 3.884 8.954) 9.806 1.993 ( 4.083 -0.022 3.010) 5.072 2.166 ( 2.713 -11.311 3.374) 12.111 2.699 ( -4.455 6.472 -3.679) 8.675 2.789 ( 0.226 -1.820 -6.734) 6.980 3.058 ( -3.021 4.721 1.263) 5.745 3.146 ( 0.891 -3.623 0.553) 3.772 3.317 ( 13.488 9.352 5.977) 17.468 3.464 ( 11.031 -5.670 4.840) 13.314 3.728 ( -2.983 2.932 -1.079) 4.319 3.813 ( -5.173 -5.560 -1.595) 7.760 5.057 ( -3.048 6.038 0.225) 6.768 5.155 ( -3.504 -3.509 1.294) 5.125 5.814 ( -8.474 3.708 -6.245) 11.160 5.829 ( -7.631 3.386 -2.092) 8.606 5.946 ( -10.016 3.457 -0.050) 10.596 6.052 ( -10.178 -6.142 2.909) 12.238 10.553 ( 4.972 2.678 -1.641) 5.881 10.614 ( 6.199 -3.482 -1.454) 7.257 10.953 ( 2.488 7.750 -3.483) 8.854 11.116 ( 4.599 -8.741 -3.186) 10.378 12.570 ( -0.083 5.370 3.272) 6.289 12.686 ( 1.267 -6.309 3.794) 7.470 21.040 ( 7.787 7.276 -0.272) 10.661 21.185 ( 8.046 -7.184 -0.509) 10.798 22.402 ( -8.459 14.579 -2.093) 16.985 22.627 ( -7.317 -7.930 -5.287) 12.015 23.253 ( 1.308 -0.108 2.269) 2.621 23.287 ( -1.130 -3.134 3.612) 4.914 ======================= Grid point 146 (78/225) ======================= q-point: ( 0.27 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 2.876 6.884 10.669) 13.018 1.883 ( 1.647 -2.623 11.672) 12.076 2.142 ( 7.994 4.183 3.973) 9.858 2.271 ( 5.621 -6.869 1.384) 8.983 2.551 ( -8.793 8.689 -1.537) 12.457 2.726 ( -3.460 -7.786 -3.712) 9.294 3.034 ( 1.160 7.274 -1.739) 7.568 3.166 ( 1.651 -5.606 -1.045) 5.937 3.553 ( 7.328 6.193 -2.426) 9.896 3.677 ( 5.870 -4.063 -1.160) 7.233 3.708 ( 3.349 -1.341 3.371) 4.938 3.718 ( -1.991 -0.896 2.608) 3.401 4.999 ( -2.741 5.698 -0.335) 6.332 5.086 ( -4.032 -3.056 0.602) 5.095 5.545 ( -13.360 3.423 -3.727) 14.286 5.620 ( -11.808 -3.632 -4.937) 13.304 5.805 ( -5.157 7.570 1.466) 9.276 5.911 ( -6.836 -3.059 3.784) 8.391 10.636 ( 4.485 4.004 -1.707) 6.250 10.714 ( 4.686 -3.992 -1.367) 6.306 11.007 ( 4.803 9.978 -2.608) 11.377 11.199 ( 5.556 -9.416 -2.449) 11.204 12.585 ( -0.222 5.981 2.322) 6.420 12.726 ( 0.602 -8.147 3.004) 8.704 21.203 ( 8.745 7.231 -0.021) 11.347 21.336 ( 7.639 -5.841 -1.001) 9.668 22.200 ( -10.654 13.248 -1.735) 17.089 22.428 ( -10.201 -9.794 -3.127) 14.483 23.286 ( 1.037 0.435 1.995) 2.290 23.312 ( 1.613 -2.205 1.564) 3.148 ======================= Grid point 147 (79/225) ======================= q-point: ( 0.36 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -4.417 4.822 8.467) 10.698 1.940 ( -4.802 -5.371 9.966) 12.298 2.289 ( 3.101 6.191 0.574) 6.948 2.393 ( 6.899 -4.044 0.384) 8.006 2.410 ( -1.266 8.776 -0.965) 8.919 2.626 ( -4.158 -11.297 -4.051) 12.701 3.075 ( 3.783 7.633 -1.940) 8.737 3.209 ( 3.531 -5.425 -0.916) 6.537 3.580 ( 1.493 2.579 -6.431) 7.088 3.652 ( -0.289 -4.367 -4.071) 5.977 3.812 ( 3.991 2.474 5.775) 7.443 3.862 ( 4.948 -2.675 4.358) 7.115 4.952 ( -1.813 5.596 -0.344) 5.892 5.015 ( -3.209 -0.668 0.009) 3.278 5.294 ( -9.927 2.316 -1.925) 10.374 5.381 ( -9.376 -5.982 -2.445) 11.387 5.736 ( -3.095 7.044 1.817) 7.905 5.822 ( -4.599 -1.719 3.527) 6.045 10.704 ( 3.321 4.348 -1.227) 5.607 10.778 ( 2.640 -3.405 -0.638) 4.356 11.095 ( 4.998 11.256 -1.480) 12.404 11.294 ( 5.069 -8.787 -1.122) 10.206 12.587 ( -0.579 5.913 0.926) 6.013 12.742 ( -0.327 -9.465 1.423) 9.577 21.368 ( 7.934 5.955 0.239) 9.923 21.462 ( 5.823 -3.267 -1.026) 6.756 21.988 ( -9.660 11.948 -1.602) 15.448 22.216 ( -9.305 -11.226 -2.347) 14.769 23.323 ( 1.602 0.837 0.962) 2.048 23.349 ( 1.255 -1.814 0.791) 2.343 ======================= Grid point 148 (80/225) ======================= q-point: ( 0.45 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -9.266 3.542 0.347) 9.926 1.816 ( -9.475 -6.800 1.325) 11.737 2.284 ( -0.670 9.007 -2.632) 9.407 2.416 ( -2.318 0.498 -4.996) 5.530 2.521 ( 1.788 -5.501 -1.131) 5.894 2.562 ( 4.338 -4.363 -0.358) 6.163 3.144 ( 3.322 8.245 0.619) 8.911 3.280 ( 3.020 -4.936 1.272) 5.925 3.573 ( 1.281 2.227 -4.701) 5.357 3.643 ( 0.912 -4.697 -1.975) 5.176 3.878 ( 0.175 2.309 2.696) 3.554 3.938 ( 0.681 -3.757 2.553) 4.593 4.926 ( -0.563 6.459 -0.133) 6.485 4.977 ( -0.648 2.846 0.971) 3.076 5.160 ( -2.946 0.031 -0.643) 3.015 5.255 ( -2.411 -8.084 0.085) 8.436 5.711 ( -0.753 5.810 2.781) 6.485 5.776 ( -2.231 -0.794 3.690) 4.385 10.750 ( 1.833 4.059 -0.367) 4.469 10.814 ( 1.216 -2.772 0.289) 3.041 11.168 ( 2.792 12.209 -0.175) 12.526 11.370 ( 2.671 -7.948 0.367) 8.392 12.574 ( -0.887 5.329 -0.607) 5.436 12.729 ( -1.228 -9.960 -0.517) 10.049 21.504 ( 5.319 3.544 0.332) 6.400 21.537 ( 1.976 0.341 -0.833) 2.171 21.831 ( -4.625 10.955 -1.320) 11.965 22.062 ( -4.380 -12.214 -2.698) 13.253 23.350 ( 0.590 0.374 0.288) 0.755 23.365 ( 0.053 -1.144 0.191) 1.161 ======================= Grid point 149 (81/225) ======================= q-point: (-0.45 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -3.393 1.586 -5.990) 7.065 1.645 ( -6.009 -6.684 -6.265) 10.956 2.227 ( -3.239 3.476 -6.667) 8.187 2.280 ( -4.446 -0.837 -8.316) 9.467 2.520 ( -0.752 5.060 1.098) 5.232 2.661 ( 3.062 -8.044 2.053) 8.849 3.197 ( 0.960 7.790 2.520) 8.244 3.321 ( -0.275 -4.085 2.861) 4.995 3.566 ( 0.233 2.618 -3.902) 4.705 3.644 ( 0.046 -4.889 -2.337) 5.419 3.859 ( -3.172 2.612 1.552) 4.392 3.926 ( -2.623 -4.672 1.139) 5.478 4.938 ( 1.653 6.987 0.506) 7.198 4.998 ( 1.591 3.011 1.453) 3.703 5.168 ( 4.017 1.076 -0.103) 4.159 5.291 ( 5.624 -9.345 0.732) 10.931 5.745 ( 1.988 4.055 4.664) 6.492 5.781 ( 0.335 0.563 4.167) 4.218 10.767 ( -0.135 3.814 0.384) 3.836 10.828 ( -0.147 -2.723 0.793) 2.840 11.195 ( -0.400 12.466 1.009) 12.514 11.395 ( -0.800 -7.523 1.468) 7.706 12.548 ( -0.900 4.461 -1.682) 4.852 12.691 ( -1.773 -9.443 -2.202) 9.858 21.494 ( -4.849 5.410 -0.423) 7.277 21.565 ( -0.639 -1.533 0.584) 1.760 21.830 ( 5.121 9.771 -1.232) 11.100 22.037 ( 4.133 -11.089 -3.807) 12.431 23.343 ( -1.443 0.107 0.012) 1.447 23.354 ( -1.082 -0.974 -0.274) 1.481 ======================= Grid point 150 (82/225) ======================= q-point: (-0.36 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.136 -0.848 -9.182) 9.222 1.517 ( -0.763 -1.798 -5.523) 5.858 2.092 ( -4.673 2.642 -6.505) 8.434 2.175 ( -3.134 -5.512 -6.938) 9.399 2.536 ( 2.085 9.859 2.599) 10.407 2.721 ( 3.164 -8.761 1.212) 9.393 3.204 ( -2.282 6.675 2.883) 7.621 3.304 ( -3.227 -2.957 2.989) 5.301 3.510 ( -4.056 3.859 -4.679) 7.296 3.600 ( -2.994 -4.437 -3.959) 6.657 3.796 ( -3.539 2.813 2.246) 5.048 3.876 ( -2.490 -5.672 1.511) 6.376 4.982 ( 2.090 5.358 0.904) 5.822 5.035 ( 1.497 0.730 0.363) 1.705 5.315 ( 10.848 5.264 -0.858) 12.088 5.459 ( 10.856 -8.264 -1.184) 13.695 5.837 ( 2.967 2.250 4.966) 6.207 5.845 ( 4.316 1.348 7.185) 8.489 10.746 ( -2.357 3.772 0.609) 4.489 10.813 ( -2.067 -3.223 0.588) 3.874 11.166 ( -3.218 11.689 1.532) 12.221 11.357 ( -3.888 -7.607 1.627) 8.697 12.523 ( -0.539 3.545 -1.709) 3.972 12.640 ( -1.669 -7.923 -2.926) 8.610 21.370 ( -7.356 7.342 0.180) 10.394 21.502 ( -5.716 -5.647 0.749) 8.070 21.977 ( 10.134 10.260 -1.884) 14.543 22.165 ( 10.963 -8.803 -4.657) 14.811 23.300 ( -2.736 0.498 -0.013) 2.781 23.320 ( -2.102 -1.606 -0.368) 2.671 ======================= Grid point 151 (83/225) ======================= q-point: (-0.27 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 2.154 7.349 -2.962) 8.211 1.545 ( 2.993 0.430 -2.217) 3.750 1.993 ( -2.895 -1.751 -1.324) 3.633 2.071 ( -3.096 -8.591 -4.338) 10.110 2.632 ( 6.106 10.837 0.518) 12.449 2.827 ( 7.499 -8.571 -0.442) 11.398 3.124 ( -7.492 7.156 0.694) 10.384 3.220 ( -6.521 -1.410 -1.309) 6.799 3.361 ( -7.801 5.418 -2.492) 9.820 3.483 ( -6.492 -5.710 -2.628) 9.036 3.775 ( -0.110 3.182 3.424) 4.676 3.864 ( -0.101 -5.696 2.563) 6.247 5.023 ( 1.582 4.231 0.613) 4.558 5.071 ( 2.533 -0.287 -0.385) 2.578 5.542 ( 12.733 6.570 -2.717) 14.583 5.663 ( 11.066 -4.908 -4.148) 12.796 5.946 ( 5.172 4.055 5.909) 8.837 6.005 ( 6.889 -2.722 8.577) 11.333 10.684 ( -4.276 3.274 0.414) 5.401 10.749 ( -4.747 -3.354 -0.122) 5.814 11.100 ( -3.903 9.662 0.989) 10.467 11.270 ( -5.517 -7.509 0.441) 9.328 12.510 ( -0.067 2.748 -0.553) 2.804 12.597 ( -1.049 -5.846 -2.214) 6.338 21.218 ( -8.442 7.377 0.678) 11.232 21.365 ( -8.460 -7.336 0.272) 11.202 22.181 ( 11.748 12.144 -2.404) 17.067 22.383 ( 13.995 -8.097 -5.358) 17.033 23.247 ( -2.561 0.673 0.368) 2.673 23.273 ( -2.518 -2.026 -0.062) 3.233 ======================= Grid point 152 (84/225) ======================= q-point: (-0.18 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.134 11.784 1.436) 11.872 1.617 ( 7.028 6.536 2.338) 9.879 1.939 ( -2.253 -3.094 0.497) 3.860 2.086 ( 5.230 -12.674 4.188) 14.336 2.749 ( 5.661 12.108 -2.404) 13.581 2.922 ( -10.744 7.962 -1.816) 13.496 2.981 ( 7.513 -8.888 -3.706) 12.214 3.042 ( -8.741 -0.141 -4.271) 9.730 3.205 ( -7.561 4.544 -0.636) 8.844 3.338 ( -7.198 -7.311 -0.554) 10.275 3.830 ( 2.596 2.860 5.693) 6.880 3.890 ( 0.598 -3.303 3.032) 4.523 5.056 ( 1.731 5.214 0.033) 5.494 5.130 ( 3.382 -1.855 0.302) 3.869 5.751 ( 10.225 5.689 -3.425) 12.192 5.825 ( 8.374 -1.469 -4.715) 9.721 6.105 ( 7.173 4.270 5.529) 10.012 6.192 ( 6.834 -4.924 6.542) 10.665 10.590 ( -5.254 1.811 0.087) 5.558 10.632 ( -6.531 -2.380 -0.843) 7.002 11.041 ( -2.147 6.180 -0.405) 6.555 11.160 ( -5.094 -5.952 -1.592) 7.995 12.513 ( 0.100 2.129 1.308) 2.501 12.575 ( -0.466 -3.937 -0.488) 3.995 21.061 ( -7.779 5.910 0.877) 9.809 21.188 ( -9.243 -6.914 -0.329) 11.548 22.384 ( 10.247 14.543 -2.771) 18.005 22.618 ( 13.100 -8.520 -6.600) 16.964 23.213 ( -1.492 0.120 1.079) 1.845 23.231 ( -1.580 -1.667 1.195) 2.590 ======================= Grid point 153 (85/225) ======================= q-point: (-0.09 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -1.555 14.919 2.937) 15.284 1.760 ( 3.154 -9.166 2.120) 9.923 1.981 ( 5.042 13.336 5.743) 15.370 2.241 ( 4.723 -9.803 5.173) 12.049 2.675 ( -6.397 11.182 -1.105) 12.930 2.829 ( -7.368 -2.949 -1.857) 8.151 2.888 ( 3.433 9.650 -0.248) 10.246 3.059 ( -5.693 5.683 -3.152) 8.639 3.102 ( 6.166 -9.708 -5.368) 12.692 3.200 ( -6.020 -8.449 -1.853) 10.539 3.902 ( -0.643 1.048 1.952) 2.307 3.921 ( 1.524 -0.548 6.794) 6.985 5.091 ( 1.645 6.684 0.389) 6.894 5.194 ( 2.388 -3.198 1.062) 4.130 5.886 ( 5.639 5.399 -3.353) 8.496 5.943 ( 6.069 -0.525 -2.570) 6.611 6.260 ( 5.198 1.905 3.131) 6.361 6.317 ( 2.406 -3.744 3.387) 5.593 10.496 ( -3.953 0.086 -0.308) 3.966 10.510 ( -4.714 -1.308 -1.149) 5.025 11.014 ( -0.051 2.318 -2.057) 3.100 11.064 ( -3.108 -2.957 -3.077) 5.279 12.526 ( -0.228 1.850 3.112) 3.627 12.573 ( 0.076 -2.720 1.199) 2.973 20.942 ( -4.682 3.559 0.647) 5.916 21.027 ( -6.363 -5.040 -0.292) 8.122 22.528 ( 6.078 16.194 -3.130) 17.578 22.783 ( 8.036 -8.577 -8.625) 14.579 23.194 ( -0.938 1.098 1.269) 1.922 23.244 ( 0.844 -3.258 4.328) 5.483 ======================= Grid point 198 (86/225) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 6.581 0.000 17.268) 18.479 0.782 ( -7.487 0.000 19.737) 21.109 1.463 ( 9.759 0.000 33.444) 34.839 1.807 ( -6.254 0.000 -10.113) 11.891 1.958 ( 1.050 0.000 -4.963) 5.072 2.371 ( 6.028 0.000 -3.450) 6.946 2.869 ( -1.295 0.000 2.059) 2.432 2.918 ( 1.132 0.000 10.098) 10.161 3.288 ( 0.880 0.000 -1.418) 1.669 3.757 ( -0.125 0.000 -7.629) 7.630 3.796 ( -4.107 0.000 2.129) 4.626 4.635 ( 2.576 0.000 0.965) 2.750 4.754 ( 0.395 0.000 0.415) 0.573 4.846 ( -11.370 0.000 -13.702) 17.805 5.216 ( -2.528 0.000 2.848) 3.808 5.791 ( -0.482 0.000 -3.221) 3.257 5.820 ( -0.808 0.000 -2.936) 3.045 6.577 ( 13.101 0.000 -0.088) 13.102 10.409 ( 1.486 0.000 0.552) 1.585 10.558 ( -1.413 0.000 -0.214) 1.429 10.910 ( -2.769 0.000 1.111) 2.984 11.285 ( 10.860 0.000 -5.460) 12.155 12.794 ( 4.369 0.000 3.935) 5.880 13.275 ( -26.972 0.000 -1.835) 27.034 20.770 ( 0.269 0.000 2.404) 2.419 21.310 ( -7.464 0.000 2.045) 7.739 21.368 ( -0.254 0.000 -2.157) 2.172 21.417 ( 43.074 0.000 -0.111) 43.074 23.452 ( 0.182 0.000 0.698) 0.721 23.738 ( 4.444 0.000 -0.980) 4.551 ======================= Grid point 199 (87/225) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 13.568 0.000 16.163) 21.102 1.040 ( 16.323 0.000 13.756) 21.346 1.667 ( -1.387 0.000 -10.115) 10.210 1.918 ( 18.605 0.000 18.755) 26.418 2.061 ( 11.336 0.000 4.138) 12.068 2.412 ( -0.218 0.000 -5.836) 5.840 2.862 ( -0.058 0.000 2.557) 2.558 2.957 ( -2.478 0.000 6.438) 6.899 3.361 ( 6.883 0.000 -1.117) 6.973 3.671 ( -7.702 0.000 4.219) 8.782 3.726 ( -1.900 0.000 -5.666) 5.976 4.573 ( -7.397 0.000 -7.320) 10.407 4.630 ( -3.200 0.000 -0.174) 3.205 4.779 ( 1.394 0.000 1.057) 1.749 5.152 ( -5.538 0.000 2.566) 6.104 5.738 ( -3.011 0.000 -4.088) 5.077 5.763 ( -3.157 0.000 -2.074) 3.778 6.621 ( -4.973 0.000 -7.992) 9.413 10.432 ( 0.461 0.000 -0.038) 0.462 10.518 ( -2.466 0.000 0.323) 2.487 10.889 ( 0.487 0.000 -0.125) 0.503 11.496 ( 12.953 0.000 -9.583) 16.113 12.694 ( -17.751 0.000 6.228) 18.812 13.048 ( 4.096 0.000 8.910) 9.806 20.813 ( 2.632 0.000 2.407) 3.566 21.204 ( -3.280 0.000 -1.966) 3.824 21.350 ( -0.243 0.000 -2.179) 2.193 22.120 ( 30.337 0.000 -14.363) 33.565 23.464 ( 0.035 0.000 0.822) 0.823 23.727 ( -3.698 0.000 -2.335) 4.373 ======================= Grid point 200 (88/225) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 17.926 0.000 12.804) 22.029 1.426 ( 14.303 0.000 7.007) 15.928 1.652 ( 5.958 0.000 -4.947) 7.744 2.255 ( 16.889 0.000 -8.313) 18.823 2.288 ( -7.613 0.000 -7.093) 10.406 2.541 ( 23.235 0.000 21.452) 31.624 2.896 ( 1.577 0.000 1.456) 2.147 2.916 ( -2.767 0.000 0.987) 2.938 3.468 ( -5.413 0.000 5.166) 7.483 3.542 ( 3.610 0.000 -4.043) 5.421 3.703 ( 1.356 0.000 -1.843) 2.288 4.460 ( -2.386 0.000 -2.846) 3.714 4.519 ( -7.429 0.000 -1.324) 7.546 4.816 ( 2.192 0.000 -0.168) 2.199 5.039 ( -7.603 0.000 3.005) 8.176 5.628 ( -5.208 0.000 -4.646) 6.979 5.683 ( -4.179 0.000 -0.196) 4.184 6.392 ( -11.486 0.000 -7.314) 13.618 10.409 ( -2.238 0.000 -2.008) 3.007 10.487 ( -1.233 0.000 2.188) 2.511 10.915 ( 2.204 0.000 -1.072) 2.451 11.628 ( 5.427 0.000 -7.279) 9.080 12.489 ( -6.546 0.000 6.757) 9.407 13.219 ( 6.053 0.000 8.267) 10.246 20.897 ( 4.458 0.000 2.121) 4.936 21.164 ( 1.085 0.000 -4.180) 4.318 21.331 ( -0.508 0.000 -1.946) 2.011 22.470 ( 16.210 0.000 -13.818) 21.300 23.437 ( -4.087 0.000 1.755) 4.448 23.625 ( -4.133 0.000 -1.539) 4.410 ======================= Grid point 201 (89/225) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 2.368 0.000 -4.393) 4.990 1.785 ( 15.449 0.000 10.221) 18.524 1.880 ( 10.774 0.000 5.170) 11.950 2.106 ( -3.500 0.000 -3.862) 5.212 2.500 ( 12.685 0.000 -10.898) 16.724 2.779 ( -3.837 0.000 0.496) 3.869 2.916 ( -0.043 0.000 -0.533) 0.535 3.186 ( 24.561 0.000 9.798) 26.443 3.342 ( -4.736 0.000 1.083) 4.859 3.657 ( 6.054 0.000 -1.561) 6.252 3.745 ( 3.146 0.000 -0.312) 3.162 4.349 ( -8.297 0.000 -2.010) 8.536 4.414 ( -1.991 0.000 0.622) 2.086 4.844 ( -0.160 0.000 -7.260) 7.262 4.915 ( -5.454 0.000 7.795) 9.513 5.498 ( -4.879 0.000 -4.666) 6.750 5.602 ( -4.546 0.000 1.792) 4.886 6.157 ( -8.552 0.000 -2.178) 8.825 10.343 ( -2.868 0.000 -1.804) 3.388 10.481 ( -0.924 0.000 1.923) 2.133 10.951 ( 1.931 0.000 -0.753) 2.072 11.636 ( -0.634 0.000 -2.571) 2.648 12.492 ( 2.432 0.000 3.580) 4.328 13.346 ( 2.365 0.000 5.652) 6.127 21.006 ( 5.411 0.000 1.511) 5.618 21.196 ( 4.405 0.000 -3.215) 5.453 21.305 ( -1.200 0.000 -1.409) 1.850 22.621 ( 7.345 0.000 -12.179) 14.223 23.357 ( -3.847 0.000 2.452) 4.562 23.560 ( -2.297 0.000 -0.754) 2.418 ======================= Grid point 202 (90/225) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -2.758 0.000 -0.549) 2.812 1.935 ( 1.016 0.000 -2.191) 2.415 2.077 ( 9.112 0.000 4.861) 10.328 2.251 ( 9.793 0.000 4.984) 10.989 2.522 ( -4.340 0.000 -9.601) 10.537 2.769 ( 5.036 0.000 -2.656) 5.693 2.892 ( -1.309 0.000 -1.134) 1.732 3.330 ( 2.454 0.000 0.619) 2.531 3.609 ( 12.489 0.000 -0.687) 12.508 3.768 ( 1.740 0.000 0.312) 1.768 3.801 ( 7.808 0.000 0.286) 7.813 4.200 ( -5.209 0.000 -1.713) 5.484 4.390 ( -1.421 0.000 3.197) 3.499 4.691 ( -8.668 0.000 -4.295) 9.673 4.944 ( 2.730 0.000 -0.610) 2.798 5.398 ( -2.394 0.000 -3.796) 4.488 5.536 ( -3.948 0.000 4.523) 6.004 6.065 ( -1.578 0.000 5.330) 5.559 10.287 ( -1.812 0.000 -1.166) 2.155 10.471 ( -1.054 0.000 1.305) 1.678 10.982 ( 1.373 0.000 0.555) 1.481 11.602 ( -1.705 0.000 0.200) 1.717 12.583 ( 4.427 0.000 1.915) 4.823 13.375 ( -1.577 0.000 1.944) 2.503 21.117 ( 5.192 0.000 0.277) 5.200 21.267 ( -2.056 0.000 -0.242) 2.071 21.288 ( 5.715 0.000 -0.121) 5.716 22.612 ( -0.306 0.000 -11.556) 11.560 23.347 ( 1.160 0.000 1.975) 2.290 23.518 ( -1.937 0.000 0.087) 1.939 ======================= Grid point 203 (91/225) ======================= q-point: (-0.55 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 2.783 0.000 5.463) 6.131 1.970 ( 3.227 0.000 -1.989) 3.791 2.154 ( -4.340 0.000 -1.658) 4.645 2.349 ( -3.632 0.000 -8.806) 9.525 2.372 ( -1.083 0.000 2.922) 3.116 2.887 ( 7.028 0.000 -0.190) 7.031 2.892 ( 2.150 0.000 0.748) 2.277 3.394 ( 2.054 0.000 0.042) 2.054 3.670 ( -3.981 0.000 -7.603) 8.582 3.749 ( 1.617 0.000 0.635) 1.737 3.970 ( 4.149 0.000 0.983) 4.264 4.145 ( 0.477 0.000 -0.353) 0.594 4.411 ( 1.186 0.000 4.516) 4.669 4.489 ( -8.647 0.000 -5.597) 10.300 4.978 ( 2.705 0.000 -6.414) 6.961 5.371 ( 1.154 0.000 -1.603) 1.976 5.513 ( -1.974 0.000 7.655) 7.905 6.150 ( 5.169 0.000 9.301) 10.641 10.262 ( -0.194 0.000 -0.675) 0.702 10.458 ( -0.871 0.000 0.861) 1.225 11.014 ( 1.215 0.000 1.787) 2.161 11.579 ( -1.083 0.000 1.289) 1.684 12.670 ( 3.294 0.000 1.736) 3.723 13.319 ( -4.126 0.000 -1.043) 4.256 21.170 ( -0.867 0.000 -2.209) 2.373 21.257 ( 1.965 0.000 2.202) 2.951 21.405 ( 5.103 0.000 3.228) 6.039 22.504 ( -2.737 0.000 -12.391) 12.690 23.395 ( 2.032 0.000 1.303) 2.414 23.486 ( -1.632 0.000 0.633) 1.751 ======================= Grid point 204 (92/225) ======================= q-point: (-0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 6.048 0.000 5.530) 8.195 1.904 ( -16.013 0.000 -4.407) 16.608 2.009 ( 0.571 0.000 -3.407) 3.455 2.288 ( -6.019 0.000 4.298) 7.396 2.322 ( 3.436 0.000 -7.417) 8.175 2.951 ( 1.650 0.000 0.810) 1.838 3.000 ( 3.177 0.000 1.455) 3.494 3.281 ( -14.172 0.000 -6.607) 15.636 3.549 ( -2.841 0.000 -0.813) 2.955 3.786 ( 0.761 0.000 1.609) 1.780 3.988 ( -0.996 0.000 1.096) 1.480 4.222 ( 6.824 0.000 2.295) 7.200 4.313 ( -5.072 0.000 -6.347) 8.125 4.464 ( 1.296 0.000 2.960) 3.231 4.977 ( 2.307 0.000 -9.348) 9.628 5.410 ( 3.230 0.000 -0.913) 3.357 5.547 ( 0.175 0.000 8.444) 8.446 6.345 ( 8.846 0.000 7.505) 11.601 10.268 ( 1.057 0.000 -0.716) 1.277 10.453 ( -0.076 0.000 0.902) 0.906 11.046 ( 0.777 0.000 1.912) 2.064 11.572 ( -0.657 0.000 1.610) 1.739 12.731 ( 1.851 0.000 2.292) 2.946 13.214 ( -5.376 0.000 -1.895) 5.700 21.101 ( -4.288 0.000 -0.863) 4.374 21.324 ( 3.011 0.000 0.856) 3.130 21.516 ( 3.310 0.000 5.885) 6.752 22.371 ( -2.527 0.000 -15.235) 15.443 23.419 ( -1.068 0.000 1.128) 1.554 23.466 ( -0.100 0.000 0.804) 0.810 ======================= Grid point 205 (93/225) ======================= q-point: (-0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -19.025 0.000 -2.713) 19.217 1.742 ( -6.828 0.000 0.208) 6.831 1.887 ( -4.052 0.000 -3.287) 5.218 2.339 ( 6.215 0.000 6.695) 9.135 2.362 ( 3.910 0.000 -4.379) 5.871 2.846 ( -25.358 0.000 -4.055) 25.681 2.923 ( -4.286 0.000 -2.072) 4.761 2.990 ( -5.291 0.000 0.335) 5.302 3.500 ( -2.897 0.000 1.537) 3.280 3.796 ( -0.215 0.000 0.377) 0.434 3.992 ( 0.046 0.000 4.144) 4.144 4.234 ( 1.043 0.000 -5.577) 5.674 4.425 ( 10.299 0.000 6.126) 11.983 4.485 ( -0.154 0.000 0.390) 0.419 4.970 ( 3.185 0.000 -9.558) 10.074 5.472 ( 4.040 0.000 -2.344) 4.670 5.611 ( 1.652 0.000 6.740) 6.939 6.548 ( 8.495 0.000 1.381) 8.606 10.288 ( 1.467 0.000 -1.170) 1.877 10.470 ( 1.187 0.000 1.307) 1.766 11.058 ( -0.629 0.000 0.884) 1.085 11.566 ( -1.137 0.000 1.509) 1.890 12.768 ( 0.546 0.000 1.178) 1.298 13.110 ( -4.347 0.000 2.087) 4.822 21.005 ( -5.184 0.000 0.128) 5.185 21.374 ( 1.905 0.000 -0.094) 1.907 21.595 ( 0.462 0.000 7.243) 7.258 22.213 ( -3.390 0.000 -20.159) 20.442 23.377 ( -3.198 0.000 1.793) 3.667 23.485 ( 0.915 0.000 0.467) 1.027 ======================= Grid point 206 (94/225) ======================= q-point: (-0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -19.060 0.000 4.625) 19.613 1.416 ( -20.349 0.000 -2.135) 20.461 1.912 ( 3.317 0.000 0.609) 3.372 2.272 ( -28.885 0.000 3.491) 29.095 2.414 ( -1.607 0.000 -2.888) 3.305 2.486 ( 3.996 0.000 -0.663) 4.051 2.797 ( -5.147 0.000 -1.133) 5.271 2.826 ( -9.683 0.000 1.082) 9.743 3.460 ( -2.435 0.000 2.140) 3.241 3.778 ( -0.864 0.000 -3.422) 3.530 4.037 ( 1.088 0.000 5.631) 5.735 4.277 ( 5.656 0.000 -3.324) 6.561 4.475 ( -0.218 0.000 0.531) 0.574 4.643 ( 6.729 0.000 6.552) 9.392 5.006 ( 6.187 0.000 -6.833) 9.218 5.544 ( 5.462 0.000 -3.919) 6.722 5.687 ( 2.863 0.000 3.923) 4.857 6.661 ( 4.163 0.000 -7.407) 8.497 10.310 ( 1.617 0.000 -1.222) 2.027 10.510 ( 1.885 0.000 1.337) 2.311 11.028 ( -2.533 0.000 -0.238) 2.544 11.533 ( -3.392 0.000 0.608) 3.446 12.744 ( -2.191 0.000 -3.384) 4.031 13.128 ( 2.673 0.000 12.405) 12.689 20.907 ( -5.094 0.000 0.948) 5.182 21.397 ( 0.799 0.000 -0.845) 1.163 21.601 ( -4.181 0.000 4.628) 6.237 21.969 ( -8.677 0.000 -24.796) 26.271 23.349 ( -0.552 0.000 3.478) 3.522 23.496 ( -0.121 0.000 0.123) 0.173 ======================= Grid point 207 (95/225) ======================= q-point: (-0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -11.727 0.000 19.647) 22.880 1.000 ( -21.432 0.000 2.344) 21.560 1.705 ( -31.704 0.000 11.344) 33.672 1.989 ( 3.294 0.000 1.543) 3.638 2.282 ( -10.443 0.000 -4.787) 11.488 2.405 ( -5.855 0.000 -11.397) 12.812 2.743 ( -0.686 0.000 6.750) 6.784 2.799 ( 2.441 0.000 4.295) 4.940 3.419 ( -3.159 0.000 0.714) 3.239 3.734 ( -0.046 0.000 -5.680) 5.680 4.045 ( -2.787 0.000 -2.470) 3.724 4.395 ( 7.442 0.000 -1.140) 7.528 4.567 ( 8.993 0.000 9.801) 13.302 4.740 ( 1.282 0.000 2.231) 2.573 5.119 ( 6.432 0.000 -0.562) 6.456 5.644 ( 7.193 0.000 -3.676) 8.078 5.765 ( 3.522 0.000 0.756) 3.602 6.595 ( -4.582 0.000 -14.533) 15.238 10.338 ( 1.846 0.000 -0.671) 1.964 10.550 ( 1.444 0.000 0.849) 1.675 10.968 ( -3.013 0.000 -0.001) 3.013 11.427 ( -7.378 0.000 -1.261) 7.485 12.686 ( -0.975 0.000 -2.264) 2.465 13.355 ( 11.093 0.000 15.361) 18.948 20.825 ( -4.032 0.000 1.629) 4.348 21.384 ( -17.420 0.000 -22.053) 28.103 21.398 ( 0.056 0.000 -1.455) 1.456 21.642 ( -11.822 0.000 -1.016) 11.866 23.417 ( 4.948 0.000 5.343) 7.282 23.482 ( -1.245 0.000 0.166) 1.256 ======================= Grid point 208 (96/225) ======================= q-point: (-0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -13.507 0.000 11.715) 17.879 0.910 ( -8.829 0.000 23.052) 24.685 1.277 ( -16.912 0.000 26.324) 31.289 1.985 ( -5.107 0.000 -4.372) 6.723 2.056 ( -7.619 0.000 -5.215) 9.233 2.290 ( 2.915 0.000 -7.324) 7.882 2.819 ( 2.278 0.000 9.632) 9.898 2.860 ( 0.960 0.000 2.905) 3.059 3.338 ( -4.154 0.000 -1.648) 4.469 3.738 ( 3.418 0.000 -4.512) 5.661 3.919 ( -6.164 0.000 -5.207) 8.069 4.535 ( 6.583 0.000 0.592) 6.609 4.753 ( -0.117 0.000 0.219) 0.249 4.897 ( 14.749 0.000 -0.615) 14.762 5.209 ( 1.786 0.000 2.412) 3.001 5.771 ( 6.319 0.000 -2.363) 6.747 5.821 ( 2.180 0.000 -1.870) 2.872 6.389 ( -3.864 0.000 -2.973) 4.876 10.373 ( 1.872 0.000 0.082) 1.874 10.570 ( 0.168 0.000 0.204) 0.265 10.936 ( -0.684 0.000 1.318) 1.485 11.263 ( -6.182 0.000 -2.119) 6.535 12.699 ( 2.658 0.000 1.357) 2.984 13.599 ( 2.036 0.000 -1.088) 2.309 20.775 ( -2.125 0.000 2.132) 3.010 20.942 ( -5.269 0.000 -2.085) 5.667 21.385 ( -0.248 0.000 -1.905) 1.921 21.461 ( -10.078 0.000 5.474) 11.469 23.458 ( -1.137 0.000 0.543) 1.260 23.586 ( 8.583 0.000 4.013) 9.475 ======================= Grid point 209 (97/225) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 3.432 14.091 15.443) 21.186 0.924 ( -10.027 14.938 15.146) 23.517 1.622 ( 12.278 15.566 27.071) 33.554 1.923 ( -2.722 10.282 -9.830) 14.483 2.007 ( -0.727 5.597 -3.690) 6.743 2.391 ( 2.897 0.499 -6.412) 7.053 2.849 ( 0.379 0.426 1.304) 1.423 2.992 ( 0.684 5.055 9.100) 10.432 3.246 ( 0.530 -4.114 -0.665) 4.201 3.736 ( -3.653 -5.872 1.623) 7.103 3.747 ( -1.322 -0.862 -6.813) 6.993 4.482 ( -2.274 -15.118 1.227) 15.338 4.706 ( 1.683 5.778 0.370) 6.030 4.914 ( -2.651 7.371 0.975) 7.893 5.403 ( -0.046 7.829 -9.114) 12.015 5.815 ( 0.040 2.414 -3.095) 3.926 5.987 ( -9.002 13.682 -3.537) 16.756 6.582 ( 11.512 0.211 -0.672) 11.534 10.420 ( 1.382 0.736 -1.367) 2.078 10.547 ( -0.721 -1.013 -0.610) 1.385 10.904 ( -3.299 -0.600 0.959) 3.488 11.247 ( 9.728 -3.724 -4.820) 11.478 12.779 ( 3.501 -1.432 3.670) 5.271 13.054 ( -18.826 -16.917 7.342) 26.354 20.784 ( -3.442 -0.120 -1.839) 3.904 21.284 ( -0.251 -2.725 1.395) 3.071 21.518 ( -1.605 13.278 -0.841) 13.401 21.699 ( 29.557 24.704 -10.388) 39.898 23.420 ( 0.268 -3.204 0.730) 3.297 23.713 ( 3.283 -2.249 1.192) 4.154 ======================= Grid point 210 (98/225) ======================= q-point: ( 0.09 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 10.266 7.390 14.846) 19.504 1.158 ( 12.300 8.950 14.749) 21.188 1.796 ( -2.170 11.877 -9.810) 15.556 2.024 ( 15.105 7.461 0.907) 16.871 2.161 ( 14.628 12.283 17.502) 25.907 2.376 ( -1.307 -3.299 -6.033) 6.999 2.857 ( 0.318 -0.154 0.964) 1.026 3.014 ( -3.453 4.882 6.448) 8.794 3.313 ( 6.133 -4.661 -0.171) 7.705 3.643 ( -5.117 -2.794 4.110) 7.133 3.713 ( -0.913 -1.020 -5.341) 5.514 4.397 ( -4.377 -11.962 -3.240) 13.143 4.696 ( -3.039 5.920 -0.368) 6.665 4.891 ( -0.076 9.423 1.935) 9.620 5.296 ( -5.749 9.464 -4.225) 11.852 5.756 ( -3.735 2.138 -3.543) 5.574 5.836 ( -6.338 7.084 0.210) 9.508 6.598 ( -6.034 -2.439 -6.825) 9.430 10.436 ( 0.639 0.179 -1.095) 1.281 10.524 ( -1.202 0.648 -0.272) 1.392 10.870 ( -0.103 -1.729 0.182) 1.742 11.440 ( 11.803 -5.540 -8.092) 15.346 12.650 ( -15.037 -3.624 7.267) 17.090 13.002 ( 5.680 -4.117 8.060) 10.686 20.774 ( 2.094 -2.553 0.724) 3.380 21.249 ( -1.308 2.808 -1.556) 3.466 21.480 ( -1.551 12.279 -1.606) 12.480 22.191 ( 24.743 6.872 -15.022) 29.751 23.439 ( 0.736 -2.688 0.724) 2.880 23.698 ( -4.422 -2.542 -0.257) 5.108 ======================= Grid point 211 (99/225) ======================= q-point: ( 0.18 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 16.293 2.196 11.308) 19.954 1.513 ( 14.903 6.129 11.549) 19.825 1.737 ( 2.049 8.750 -7.025) 11.407 2.247 ( -2.178 -1.732 -6.327) 6.912 2.304 ( 12.141 3.086 -7.706) 14.708 2.648 ( 19.938 9.838 18.245) 28.761 2.857 ( -2.474 -2.068 0.250) 3.234 2.979 ( 0.662 4.529 1.153) 4.720 3.433 ( 2.278 -4.549 3.774) 6.334 3.560 ( -2.333 2.562 -1.773) 3.892 3.696 ( 1.515 -0.595 -0.765) 1.798 4.312 ( -2.260 -11.761 -2.540) 12.242 4.593 ( -6.553 6.642 -1.424) 9.438 4.920 ( 1.702 9.797 0.985) 9.992 5.147 ( -7.932 8.079 -0.709) 11.344 5.632 ( -6.220 0.509 -4.457) 7.669 5.728 ( -5.502 4.543 1.807) 7.360 6.363 ( -12.024 -2.889 -6.027) 13.757 10.417 ( -1.519 0.751 -2.056) 2.664 10.512 ( -0.233 2.466 1.178) 2.743 10.892 ( 2.026 -2.297 -0.709) 3.144 11.568 ( 5.653 -5.748 -6.268) 10.212 12.488 ( -5.491 0.093 6.194) 8.278 13.171 ( 5.808 -4.688 7.365) 10.486 20.856 ( 5.390 -2.374 1.465) 6.069 21.233 ( 1.251 4.996 -3.427) 6.186 21.438 ( -1.803 10.436 -1.798) 10.742 22.475 ( 14.193 0.632 -13.421) 19.544 23.430 ( -3.115 -0.911 1.645) 3.638 23.592 ( -4.659 -3.065 -0.465) 5.596 ======================= Grid point 212 (100/225) ======================= q-point: ( 0.27 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 2.461 6.044 -3.001) 7.182 1.788 ( 11.077 1.348 7.355) 13.365 1.910 ( 12.466 2.814 6.561) 14.365 2.114 ( -2.357 0.869 -2.679) 3.673 2.531 ( 11.788 2.995 -10.102) 15.811 2.758 ( -5.438 -2.817 -0.507) 6.145 2.913 ( 2.188 1.201 0.971) 2.678 3.245 ( 20.498 4.672 5.723) 21.789 3.376 ( -4.938 2.038 1.799) 5.637 3.620 ( 5.975 -2.431 -0.746) 6.493 3.744 ( 2.671 0.172 1.005) 2.859 4.276 ( -0.833 -11.150 -0.049) 11.181 4.444 ( -7.205 8.218 -1.933) 11.099 4.946 ( -0.862 9.299 -7.268) 11.833 4.992 ( -6.167 6.366 6.577) 11.037 5.486 ( -5.532 -1.028 -4.278) 7.068 5.639 ( -5.066 3.357 2.703) 6.651 6.125 ( -9.067 -2.894 -0.987) 9.569 10.370 ( -1.773 2.575 -1.743) 3.580 10.518 ( -0.164 3.642 1.236) 3.849 10.929 ( 1.990 -2.193 -0.463) 2.997 11.596 ( 0.498 -3.948 -2.395) 4.644 12.490 ( 1.879 -0.110 3.250) 3.755 13.290 ( 2.364 -5.502 4.940) 7.763 20.990 ( 6.958 -0.559 2.106) 7.291 21.255 ( 3.077 4.844 -3.755) 6.858 21.390 ( -2.100 8.284 -1.099) 8.616 22.599 ( 6.145 -2.151 -11.706) 13.395 23.358 ( -3.821 0.006 2.447) 4.537 23.533 ( -1.824 -2.679 -0.490) 3.278 ======================= Grid point 213 (101/225) ======================= q-point: ( 0.36 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -2.108 6.316 -1.734) 6.880 1.917 ( 0.876 -0.991 0.400) 1.382 2.102 ( 7.152 2.407 2.863) 8.071 2.249 ( 7.492 -0.411 4.755) 8.883 2.527 ( -4.082 0.398 -7.864) 8.869 2.768 ( 6.519 0.156 -2.456) 6.968 2.906 ( -1.573 0.783 -2.545) 3.093 3.339 ( 1.581 0.359 0.003) 1.621 3.569 ( 8.552 -3.849 -2.055) 9.601 3.776 ( 2.454 0.928 1.364) 2.957 3.786 ( 7.987 -0.365 1.790) 8.193 4.276 ( 0.103 -9.467 2.221) 9.725 4.314 ( -4.259 10.156 -1.862) 11.169 4.770 ( -9.499 6.042 -3.291) 11.729 5.013 ( 2.167 6.847 -1.382) 7.314 5.382 ( -2.471 -1.486 -3.433) 4.484 5.574 ( -3.599 3.356 4.978) 7.000 6.024 ( -2.643 -3.734 5.791) 7.380 10.336 ( -0.687 4.740 -0.960) 4.885 10.517 ( -0.505 4.624 0.789) 4.718 10.962 ( 1.443 -1.892 0.751) 2.495 11.582 ( -0.917 -2.016 0.158) 2.220 12.566 ( 3.819 -1.538 1.604) 4.419 13.318 ( -1.307 -5.583 1.546) 5.938 21.137 ( 6.462 1.865 2.098) 7.046 21.283 ( 0.340 3.141 -2.841) 4.249 21.367 ( 1.258 6.270 0.734) 6.437 22.576 ( -0.894 -3.635 -11.004) 11.623 23.346 ( 0.977 -0.150 1.869) 2.115 23.499 ( -1.600 -1.809 0.079) 2.416 ======================= Grid point 214 (102/225) ======================= q-point: (-0.55 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 2.824 5.777 3.456) 7.300 1.936 ( 1.330 -2.403 -0.713) 2.838 2.154 ( -5.151 -0.068 -2.587) 5.764 2.249 ( -3.736 -5.900 -2.395) 7.383 2.457 ( -1.453 4.420 -3.745) 5.973 2.887 ( 2.307 -1.093 -0.135) 2.556 2.898 ( 6.761 0.989 -0.378) 6.843 3.388 ( 1.623 -0.594 -0.109) 1.732 3.637 ( 0.940 -4.089 -3.613) 5.537 3.734 ( -2.557 0.928 -1.346) 3.035 3.946 ( 3.068 -2.116 1.301) 3.948 4.258 ( 0.100 6.517 0.103) 6.518 4.324 ( 2.288 -3.083 1.518) 4.129 4.573 ( -7.911 6.007 -3.573) 10.556 5.033 ( 2.066 5.396 -5.951) 8.294 5.357 ( 1.300 -1.255 -1.589) 2.407 5.563 ( -1.544 4.533 7.708) 9.075 6.085 ( 3.802 -6.162 9.305) 11.790 10.333 ( 0.708 6.800 -0.280) 6.843 10.508 ( -0.731 5.064 0.342) 5.128 10.996 ( 1.163 -1.773 1.916) 2.858 11.569 ( -0.758 -0.958 1.253) 1.750 12.642 ( 2.903 -2.728 1.324) 4.198 13.267 ( -3.814 -5.184 -1.190) 6.545 21.212 ( -1.654 4.094 -2.221) 4.942 21.280 ( 3.187 2.373 2.413) 4.648 21.442 ( 4.319 3.606 2.806) 6.288 22.465 ( -2.865 -3.970 -11.788) 12.764 23.389 ( 1.823 -0.589 1.207) 2.264 23.471 ( -1.516 -1.435 0.512) 2.150 ======================= Grid point 215 (103/225) ======================= q-point: (-0.45 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 4.281 2.715 3.274) 6.035 1.874 ( -11.732 -1.854 -2.300) 12.098 1.992 ( -1.888 -0.840 -3.270) 3.869 2.175 ( -2.963 -7.166 -0.899) 7.807 2.383 ( -1.258 2.204 -4.917) 5.534 2.950 ( 1.524 -0.426 0.586) 1.687 2.999 ( 2.801 -0.132 0.725) 2.897 3.309 ( -10.346 2.683 -4.137) 11.461 3.563 ( -3.732 1.204 -1.743) 4.292 3.739 ( 1.043 -3.429 3.244) 4.835 3.955 ( -1.349 -2.865 1.295) 3.421 4.301 ( 1.058 -0.901 -0.402) 1.447 4.343 ( 2.562 7.446 -1.957) 8.114 4.476 ( -0.337 4.122 -0.033) 4.136 5.029 ( 2.166 4.930 -8.381) 9.962 5.400 ( 3.485 -0.984 -1.209) 3.818 5.597 ( -0.104 4.784 8.373) 9.644 6.258 ( 7.908 -8.332 7.896) 13.939 10.355 ( 1.508 8.342 -0.339) 8.484 10.497 ( -0.460 4.473 0.345) 4.509 11.027 ( 0.634 -1.891 2.071) 2.876 11.565 ( -0.637 -0.656 1.552) 1.802 12.694 ( 1.519 -3.645 1.814) 4.346 13.167 ( -5.155 -4.720 -1.971) 7.262 21.135 ( -4.439 3.334 -0.690) 5.594 21.361 ( 3.386 3.625 0.809) 5.026 21.546 ( 3.504 2.926 5.476) 7.129 22.337 ( -2.215 -3.414 -14.550) 15.108 23.409 ( -1.224 -1.005 1.094) 1.925 23.452 ( -0.143 -1.437 0.628) 1.575 ======================= Grid point 216 (104/225) ======================= q-point: (-0.36 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -17.908 -2.623 -4.089) 18.556 1.727 ( -11.979 -2.384 -0.995) 12.254 1.941 ( 1.325 6.365 0.029) 6.502 2.255 ( 8.259 -5.605 4.234) 10.842 2.377 ( 2.711 -0.941 -3.121) 4.240 2.865 ( -13.653 1.698 -1.473) 13.837 2.959 ( -9.309 0.859 -4.394) 10.330 3.034 ( -8.134 6.248 -0.576) 10.274 3.497 ( -3.462 -0.216 1.963) 3.985 3.769 ( -0.047 -2.414 1.687) 2.946 3.949 ( -0.363 -3.518 4.098) 5.414 4.286 ( 1.776 1.011 -2.561) 3.277 4.431 ( 1.956 1.901 -2.243) 3.531 4.538 ( 7.156 7.297 4.386) 11.122 5.030 ( 3.615 5.557 -9.024) 11.198 5.464 ( 4.191 -0.674 -2.562) 4.958 5.656 ( 1.505 4.265 6.963) 8.303 6.454 ( 8.242 -8.892 2.709) 12.423 10.378 ( 1.222 8.681 -1.473) 8.889 10.501 ( 0.589 3.080 1.052) 3.308 11.037 ( -0.781 -2.048 1.183) 2.491 11.557 ( -1.386 -0.955 1.342) 2.152 12.722 ( 0.308 -4.409 1.124) 4.561 13.063 ( -4.591 -4.658 1.426) 6.694 21.040 ( -5.142 3.335 0.681) 6.167 21.418 ( 2.325 4.303 -0.420) 4.909 21.632 ( 1.134 3.373 7.205) 8.036 22.197 ( -2.184 -1.542 -19.545) 19.727 23.366 ( -3.133 -1.047 1.758) 3.742 23.465 ( 0.607 -1.928 0.392) 2.059 ======================= Grid point 217 (105/225) ======================= q-point: (-0.27 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -17.763 -0.550 3.521) 18.117 1.423 ( -17.310 0.766 1.508) 17.392 1.999 ( 3.361 7.810 0.689) 8.531 2.367 ( -14.790 7.164 2.078) 16.564 2.386 ( -2.671 -2.448 -3.438) 4.995 2.529 ( -0.942 4.652 2.333) 5.289 2.749 ( -8.599 -2.695 -3.436) 9.645 2.893 ( -7.316 4.788 -0.772) 8.778 3.452 ( -2.940 -0.826 2.907) 4.216 3.750 ( -1.342 -2.501 -2.495) 3.778 3.992 ( 1.210 -3.408 6.085) 7.078 4.338 ( 1.692 -6.409 1.702) 6.843 4.417 ( 1.953 7.354 -5.241) 9.239 4.732 ( 7.159 7.181 6.642) 12.122 5.076 ( 6.842 6.397 -8.127) 12.401 5.538 ( 5.612 -0.292 -3.594) 6.670 5.742 ( 3.813 4.858 4.564) 7.679 6.581 ( 4.755 -7.415 -4.689) 9.979 10.386 ( 1.011 7.193 -2.423) 7.658 10.528 ( 1.194 1.845 1.269) 2.538 11.007 ( -2.580 -2.007 0.258) 3.279 11.514 ( -3.875 -1.867 0.263) 4.309 12.705 ( -1.578 -3.809 -2.483) 4.813 13.048 ( 0.135 -7.210 10.502) 12.739 20.951 ( -4.668 3.696 2.079) 6.307 21.442 ( 0.685 4.404 -2.019) 4.893 21.664 ( -2.600 4.821 7.388) 9.197 21.995 ( -5.245 3.469 -26.044) 26.792 23.339 ( -0.485 -0.939 3.504) 3.660 23.470 ( -0.415 -2.529 0.178) 2.569 ======================= Grid point 218 (106/225) ======================= q-point: (-0.18 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -8.011 6.667 17.239) 20.144 1.115 ( -16.038 7.254 8.195) 19.416 1.847 ( -27.645 13.577 5.855) 31.351 2.086 ( 1.011 7.394 0.878) 7.514 2.314 ( -7.214 3.434 -3.928) 8.903 2.454 ( -4.114 3.661 -12.446) 13.610 2.752 ( 2.684 0.456 8.991) 9.394 2.803 ( 0.011 1.501 1.483) 2.110 3.398 ( -4.164 -2.134 0.615) 4.719 3.710 ( -0.019 -2.071 -3.986) 4.492 4.020 ( -1.849 -1.839 -1.472) 2.995 4.339 ( 0.285 -13.492 5.875) 14.719 4.519 ( 7.285 8.373 0.882) 11.134 4.863 ( 3.388 8.072 4.175) 9.699 5.201 ( 9.601 6.488 -4.970) 12.608 5.650 ( 8.024 0.861 -3.205) 8.683 5.866 ( 7.083 8.441 3.391) 11.529 6.558 ( -2.750 -3.427 -11.060) 11.901 10.393 ( 1.346 5.011 -2.790) 5.891 10.553 ( 0.618 0.320 0.722) 1.003 10.953 ( -2.679 -1.398 0.545) 3.071 11.398 ( -7.636 -2.897 -1.621) 8.327 12.665 ( -0.337 -2.090 -1.764) 2.755 13.177 ( 3.896 -14.764 14.973) 21.386 20.900 ( -1.677 4.331 3.779) 5.988 21.387 ( -5.062 2.075 -9.825) 11.245 21.613 ( -5.517 12.188 0.202) 13.380 21.695 ( -8.500 11.595 -17.653) 22.766 23.408 ( 4.889 -0.882 5.516) 7.423 23.452 ( -1.442 -2.927 0.325) 3.279 ======================= Grid point 219 (107/225) ======================= q-point: (-0.09 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -8.493 14.544 11.441) 20.360 1.057 ( -4.566 13.101 21.514) 25.600 1.428 ( -15.822 16.170 18.830) 29.435 2.029 ( -4.668 3.399 -5.794) 8.180 2.144 ( -7.223 8.839 -4.582) 12.300 2.371 ( 3.058 4.736 -10.159) 11.619 2.810 ( 1.748 1.269 3.380) 4.011 2.902 ( 3.229 2.659 7.885) 8.926 3.300 ( -4.692 -3.760 -1.574) 6.215 3.717 ( 2.532 -2.191 -3.189) 4.624 3.897 ( -6.833 -2.108 -5.430) 8.979 4.439 ( 3.363 -15.383 7.550) 17.463 4.646 ( 4.375 5.075 0.834) 6.752 4.929 ( 0.935 6.097 2.406) 6.620 5.362 ( 9.199 6.189 -7.410) 13.336 5.779 ( 5.727 1.564 -3.021) 6.661 6.085 ( 11.070 18.587 -0.476) 21.639 6.382 ( -4.724 -0.576 -3.684) 6.018 10.404 ( 1.430 2.605 -2.598) 3.947 10.558 ( -0.276 -1.130 0.078) 1.166 10.932 ( -0.227 -0.293 1.276) 1.329 11.232 ( -6.063 -3.051 -2.346) 7.181 12.688 ( 2.876 -1.115 1.393) 3.384 13.276 ( -4.879 -24.113 9.381) 26.330 20.918 ( -3.446 -1.679 -0.404) 3.855 21.158 ( 1.818 16.528 -10.672) 19.758 21.498 ( -1.350 20.645 -5.295) 21.356 21.569 ( -3.840 10.656 2.178) 11.534 23.426 ( -1.225 -3.147 0.608) 3.431 23.574 ( 7.821 -1.259 4.853) 9.290 ======================= Grid point 220 (108/225) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 1.319 13.216 14.416) 19.602 1.295 ( -10.870 20.331 9.463) 24.921 1.950 ( 9.835 11.994 6.046) 16.647 2.161 ( 7.458 16.484 2.798) 18.308 2.184 ( -2.428 8.491 -5.456) 10.381 2.393 ( -2.330 2.905 -3.187) 4.901 2.891 ( 0.873 3.069 -4.650) 5.639 3.074 ( 0.479 0.631 6.669) 6.716 3.149 ( 1.057 -3.182 4.719) 5.789 3.578 ( -3.506 -9.832 0.690) 10.461 3.736 ( -1.813 0.105 -5.284) 5.587 4.267 ( -1.719 -7.582 3.294) 8.443 4.835 ( 1.563 7.053 0.395) 7.235 5.110 ( -1.411 11.006 2.513) 11.377 5.507 ( 2.238 4.873 -9.320) 10.752 5.878 ( 0.591 3.701 -2.658) 4.595 6.206 ( -10.651 7.332 -0.883) 12.961 6.566 ( 6.051 -2.389 -0.504) 6.525 10.425 ( 0.617 -0.217 -2.723) 2.800 10.521 ( 0.723 -1.654 -1.413) 2.292 10.891 ( -4.031 -0.633 -0.206) 4.086 11.152 ( 7.252 -5.566 -4.072) 10.008 12.734 ( -3.626 -3.931 4.654) 7.090 12.784 ( -2.761 -8.392 8.916) 12.551 20.780 ( -3.801 0.385 -2.694) 4.675 21.206 ( 2.198 -4.961 1.467) 5.621 21.839 ( -1.057 18.327 -0.313) 18.360 22.177 ( 14.018 21.456 -16.903) 30.701 23.336 ( 0.182 -4.932 0.999) 5.036 23.654 ( 1.714 -3.901 4.122) 5.928 ======================= Grid point 221 (109/225) ======================= q-point: ( 0.09 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 2.324 15.096 11.538) 19.142 1.351 ( 8.324 10.644 14.240) 19.630 2.028 ( -0.870 8.204 -8.496) 11.842 2.190 ( 10.920 10.598 -6.737) 16.642 2.309 ( -3.486 -2.069 -4.284) 5.898 2.506 ( 15.362 19.886 17.038) 30.360 2.857 ( -0.958 -0.222 -2.873) 3.037 3.103 ( -3.870 2.229 7.734) 8.931 3.209 ( 4.091 -3.775 1.611) 5.795 3.563 ( 1.480 -5.258 2.998) 6.231 3.695 ( -0.396 -0.671 -4.043) 4.117 4.195 ( -5.502 -8.380 -1.434) 10.127 4.830 ( -2.400 7.233 -0.469) 7.636 5.110 ( 0.057 11.363 3.506) 11.892 5.440 ( -3.297 6.356 -8.399) 11.037 5.815 ( -5.105 3.530 -3.251) 7.007 6.005 ( -10.420 8.484 3.512) 13.888 6.523 ( -7.776 -5.183 -3.944) 10.143 10.434 ( 1.181 -0.293 -1.841) 2.207 10.538 ( 2.055 0.453 -2.005) 2.906 10.832 ( -1.491 -1.713 0.328) 2.294 11.297 ( 9.286 -8.359 -5.609) 13.696 12.590 ( -9.094 -1.879 7.026) 11.644 12.906 ( 5.859 -5.275 5.836) 9.809 20.754 ( 2.181 0.838 -0.562) 2.403 21.257 ( 2.683 -2.262 -0.894) 3.621 21.794 ( -3.059 18.578 -1.042) 18.856 22.362 ( 13.392 9.666 -14.603) 22.046 23.362 ( 1.655 -4.702 0.898) 5.065 23.637 ( -5.240 -3.831 2.783) 7.062 ======================= Grid point 222 (110/225) ======================= q-point: ( 0.18 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 11.470 6.990 11.389) 17.611 1.643 ( 13.029 7.270 11.925) 19.100 1.954 ( -1.124 11.482 -7.812) 13.933 2.203 ( -4.237 -2.281 -3.395) 5.889 2.406 ( 14.086 6.805 -6.845) 17.075 2.779 ( -1.072 -1.194 0.654) 1.733 2.913 ( 6.822 10.609 9.589) 15.844 3.067 ( 3.875 3.732 1.716) 5.646 3.320 ( 4.058 -5.242 3.908) 7.695 3.615 ( 0.128 2.071 -0.939) 2.278 3.684 ( 2.185 -0.599 1.897) 2.955 4.076 ( -4.122 -11.284 -3.074) 12.400 4.748 ( -4.805 8.485 -1.557) 9.874 5.145 ( 0.389 10.443 4.510) 11.382 5.296 ( -6.343 8.141 -7.021) 12.482 5.654 ( -8.536 1.912 -3.848) 9.557 5.843 ( -8.950 6.169 4.627) 11.814 6.289 ( -12.372 -4.297 -2.813) 13.396 10.438 ( 0.469 1.373 -2.028) 2.494 10.575 ( 2.598 3.589 -1.122) 4.570 10.835 ( 1.317 -3.029 0.141) 3.305 11.419 ( 6.244 -8.943 -4.592) 11.835 12.500 ( -3.711 1.346 4.794) 6.211 13.048 ( 4.818 -7.399 5.345) 10.321 20.846 ( 6.687 1.591 1.104) 6.961 21.301 ( 3.050 1.261 -2.673) 4.247 21.712 ( -4.490 16.609 -1.412) 17.263 22.498 ( 8.587 1.650 -12.172) 14.987 23.391 ( -0.160 -3.049 1.285) 3.312 23.523 ( -6.340 -3.728 1.725) 7.554 ======================= Grid point 223 (111/225) ======================= q-point: ( 0.27 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 6.152 4.008 5.525) 9.189 1.895 ( 0.738 9.392 -2.325) 9.704 1.978 ( 13.339 3.838 7.422) 15.740 2.140 ( 0.092 1.618 -0.349) 1.658 2.611 ( 8.344 4.743 -8.576) 12.871 2.681 ( -4.294 -4.269 -0.324) 6.063 2.952 ( -0.887 1.396 0.866) 1.867 3.326 ( 13.085 1.350 -0.823) 13.180 3.351 ( -2.399 -2.714 0.832) 3.717 3.636 ( 4.921 4.068 2.682) 6.926 3.762 ( 2.423 1.769 3.729) 4.786 4.029 ( 0.784 -13.128 -1.450) 13.231 4.640 ( -4.950 10.777 -1.889) 12.009 5.092 ( -9.785 4.445 0.253) 10.750 5.189 ( 0.797 12.883 -2.728) 13.193 5.471 ( -7.187 0.060 -3.598) 8.037 5.708 ( -7.346 2.908 4.109) 8.905 6.066 ( -9.456 -2.471 1.978) 9.972 10.437 ( 0.805 4.050 -1.595) 4.426 10.618 ( 2.101 6.330 -0.415) 6.682 10.872 ( 2.092 -3.317 0.276) 3.931 11.489 ( 3.165 -6.805 -2.117) 7.798 12.494 ( 0.458 0.758 2.444) 2.600 13.143 ( 2.083 -9.027 3.358) 9.854 21.009 ( 8.566 2.679 2.458) 9.305 21.344 ( 3.131 3.445 -3.339) 5.728 21.610 ( -5.031 13.442 -1.153) 14.399 22.541 ( 2.464 -3.623 -10.363) 11.251 23.353 ( -3.290 -0.520 2.384) 4.096 23.465 ( -0.803 -3.890 0.042) 3.972 ======================= Grid point 224 (112/225) ======================= q-point: ( 0.36 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -2.856 5.226 -4.027) 7.189 1.944 ( 0.703 4.682 3.817) 6.081 2.169 ( 4.138 4.326 0.175) 5.989 2.229 ( 1.149 -1.729 4.269) 4.747 2.527 ( -0.416 -0.741 -4.001) 4.090 2.790 ( 8.037 2.584 -2.784) 8.890 2.887 ( -4.805 -3.625 -4.631) 7.594 3.325 ( 1.693 -1.694 -0.675) 2.488 3.486 ( 5.481 -3.752 -3.240) 7.390 3.800 ( 6.246 0.704 4.136) 7.525 3.806 ( 0.922 2.180 1.505) 2.805 4.074 ( 3.437 -9.900 1.027) 10.530 4.549 ( -2.923 12.767 -1.496) 13.182 4.885 ( -10.147 5.382 -1.885) 11.640 5.185 ( -0.100 8.749 -2.409) 9.075 5.354 ( -2.453 -0.493 -3.475) 4.282 5.633 ( -3.028 1.822 6.292) 7.217 5.952 ( -5.121 -2.622 6.581) 8.741 10.455 ( 1.760 6.761 -0.567) 7.009 10.648 ( 1.203 8.548 -0.396) 8.642 10.913 ( 1.653 -2.912 1.207) 3.559 11.525 ( 1.331 -3.775 0.067) 4.004 12.532 ( 2.040 -1.598 0.840) 2.724 13.166 ( -0.869 -9.536 0.660) 9.599 21.191 ( 7.997 3.693 3.191) 9.368 21.371 ( 1.005 4.824 -3.659) 6.137 21.523 ( -2.721 9.515 0.415) 9.905 22.474 ( -2.683 -6.669 -9.482) 11.898 23.341 ( 0.674 -0.268 1.564) 1.724 23.453 ( -0.754 -2.687 0.052) 2.792 ======================= Grid point 225 (113/225) ======================= q-point: (-0.55 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -0.340 -0.969 -2.842) 3.022 1.959 ( -1.146 5.817 3.685) 6.981 2.112 ( -8.923 -5.864 -1.363) 10.764 2.176 ( -2.505 0.588 -5.482) 6.056 2.529 ( -2.830 2.428 -5.943) 7.016 2.824 ( 3.560 -5.276 -0.579) 6.390 2.926 ( 6.323 2.014 -0.464) 6.652 3.377 ( 2.187 -0.325 0.503) 2.268 3.546 ( 2.517 -4.224 -0.881) 4.996 3.787 ( -2.702 3.543 -1.297) 4.641 3.886 ( 0.752 -4.296 1.882) 4.751 4.153 ( 3.143 -7.194 0.969) 7.910 4.517 ( 0.331 12.689 -0.876) 12.724 4.704 ( -6.312 7.344 -2.321) 9.958 5.161 ( -0.193 6.046 -3.741) 7.113 5.332 ( 1.944 -0.630 -2.979) 3.613 5.659 ( 0.354 4.264 8.311) 9.347 5.944 ( -0.176 -6.738 8.941) 11.197 10.496 ( 2.360 8.699 0.554) 9.031 10.657 ( 0.075 10.157 -0.934) 10.200 10.950 ( 1.065 -2.661 2.236) 3.635 11.544 ( 0.274 -1.621 1.232) 2.055 12.573 ( 1.742 -3.837 0.293) 4.224 13.123 ( -3.137 -9.200 -1.511) 9.837 21.318 ( -2.999 6.289 -2.361) 7.357 21.348 ( 5.385 4.439 2.450) 7.396 21.535 ( 2.551 5.518 2.096) 6.431 22.352 ( -3.224 -7.399 -10.087) 12.918 23.374 ( 1.320 -0.830 0.930) 1.815 23.435 ( -1.200 -2.073 0.213) 2.405 ======================= Grid point 226 (114/225) ======================= q-point: (-0.45 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -2.796 -8.098 -3.455) 9.238 1.870 ( -9.527 -3.884 0.300) 10.293 2.034 ( 0.428 5.340 -1.067) 5.462 2.058 ( -1.054 -2.122 -2.874) 3.725 2.400 ( -3.837 0.002 -7.006) 7.988 2.920 ( 2.579 -2.865 0.944) 3.968 3.005 ( 1.975 1.228 -0.560) 2.392 3.366 ( -4.618 2.607 -0.248) 5.309 3.563 ( -1.507 -1.775 -0.753) 2.447 3.715 ( -2.728 1.517 2.567) 4.041 3.886 ( -1.391 -3.849 1.699) 4.431 4.183 ( 0.431 -8.072 -1.715) 8.263 4.546 ( 3.155 11.219 -0.963) 11.694 4.640 ( 0.816 10.836 -1.093) 10.921 5.142 ( 1.104 5.399 -5.004) 7.443 5.380 ( 4.365 -0.654 -2.843) 5.251 5.712 ( -0.122 6.314 7.872) 10.092 6.057 ( 5.832 -10.918 8.826) 15.202 10.546 ( 1.929 8.886 1.299) 9.185 10.640 ( -0.946 10.980 -1.919) 11.187 10.979 ( 0.297 -2.714 2.530) 3.723 11.549 ( -0.650 -0.961 1.491) 1.889 12.601 ( 0.826 -5.337 0.618) 5.435 13.035 ( -4.513 -8.496 -2.117) 9.851 21.225 ( -4.880 5.706 -0.546) 7.528 21.456 ( 4.417 5.717 0.628) 7.252 21.617 ( 3.405 3.931 4.423) 6.827 22.241 ( -1.138 -6.224 -12.521) 14.029 23.384 ( -1.506 -1.397 0.928) 2.254 23.415 ( -0.355 -2.100 0.224) 2.142 ======================= Grid point 227 (115/225) ======================= q-point: (-0.36 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -13.658 -4.200 -6.021) 15.506 1.665 ( -11.455 -3.459 1.540) 12.065 2.075 ( 5.099 1.215 0.054) 5.242 2.182 ( 8.919 2.895 5.275) 10.760 2.326 ( 0.166 -3.361 -4.718) 5.795 2.879 ( -5.411 -0.719 -3.583) 6.530 2.983 ( -5.138 2.278 -1.816) 5.906 3.178 ( -11.913 7.029 -2.884) 14.129 3.495 ( -4.527 -0.008 2.660) 5.250 3.723 ( -0.797 -1.837 3.942) 4.422 3.873 ( -0.723 -4.026 3.822) 5.598 4.173 ( -0.096 -9.130 -2.401) 9.441 4.606 ( 3.667 12.552 -3.395) 13.510 4.719 ( 6.655 10.137 2.549) 12.392 5.154 ( 3.836 6.049 -6.049) 9.376 5.456 ( 5.295 0.126 -3.874) 6.562 5.760 ( 1.090 5.795 6.671) 8.903 6.244 ( 8.078 -11.257 5.692) 14.979 10.578 ( 0.183 5.416 1.423) 5.603 10.603 ( -0.876 12.306 -3.204) 12.746 10.986 ( -1.087 -2.790 1.986) 3.593 11.531 ( -2.258 -1.694 0.982) 2.989 12.614 ( 0.070 -6.046 0.699) 6.087 12.937 ( -4.468 -7.828 0.237) 9.016 21.126 ( -5.558 5.203 1.348) 7.732 21.528 ( 2.926 6.132 -1.275) 6.913 21.701 ( 1.520 3.243 6.520) 7.439 22.162 ( 2.107 -1.776 -16.808) 17.033 23.340 ( -2.973 -1.425 1.534) 3.636 23.416 ( -0.206 -2.926 0.245) 2.944 ======================= Grid point 228 (116/225) ======================= q-point: (-0.27 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -9.834 4.456 4.570) 11.724 1.452 ( -12.226 2.331 4.615) 13.274 2.155 ( 2.547 5.479 -0.492) 6.062 2.312 ( 1.930 -3.308 -2.408) 4.524 2.440 ( 8.785 -1.502 7.165) 11.435 2.687 ( -13.699 9.241 0.431) 16.530 2.747 ( -10.728 5.055 -8.878) 14.815 2.988 ( -5.812 4.124 -3.484) 7.933 3.427 ( -4.737 -1.694 3.382) 6.061 3.699 ( -2.392 -2.222 0.937) 3.396 3.920 ( 1.511 -4.171 8.199) 9.322 4.135 ( -2.537 -10.537 -3.150) 11.286 4.657 ( 4.046 13.461 -3.506) 14.487 4.887 ( 7.122 7.957 5.368) 11.952 5.224 ( 7.332 7.863 -7.358) 13.028 5.544 ( 6.731 1.149 -4.332) 8.087 5.851 ( 4.857 5.673 5.217) 9.110 6.409 ( 6.321 -9.130 0.765) 11.131 10.549 ( -1.402 6.488 -3.356) 7.438 10.591 ( -0.501 6.239 -0.241) 6.263 10.960 ( -2.371 -2.325 1.398) 3.603 11.462 ( -5.233 -3.445 -0.560) 6.290 12.611 ( -0.294 -5.189 -0.543) 5.225 12.886 ( -2.593 -8.654 6.327) 11.029 21.030 ( -5.468 4.268 3.010) 7.562 21.526 ( -2.678 1.861 -3.411) 4.719 21.755 ( 0.504 5.883 6.256) 8.603 22.121 ( 4.953 8.237 -20.921) 23.023 23.314 ( -0.482 -1.519 3.340) 3.701 23.404 ( -1.152 -3.849 0.324) 4.031 ======================= Grid point 229 (117/225) ======================= q-point: (-0.18 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 2.396 15.298 17.404) 23.295 1.256 ( -11.559 7.563 8.803) 16.380 2.160 ( -15.524 16.136 -0.820) 22.406 2.165 ( -3.652 -1.118 -2.514) 4.573 2.410 ( -4.106 5.401 -1.595) 6.970 2.547 ( -4.791 6.978 -7.451) 11.276 2.731 ( 8.579 -1.214 9.036) 12.518 2.891 ( -1.490 5.694 -3.728) 6.967 3.331 ( -6.170 -4.749 -0.684) 7.816 3.665 ( -1.549 -2.709 0.610) 3.179 3.990 ( -2.241 -1.384 -1.570) 3.066 4.072 ( 0.741 -11.774 7.640) 14.055 4.722 ( 4.077 10.586 -1.779) 11.483 5.033 ( 4.078 8.614 5.652) 11.080 5.340 ( 9.088 7.942 -8.120) 14.546 5.678 ( 9.181 1.848 -3.475) 9.989 6.023 ( 10.196 6.458 5.148) 13.121 6.477 ( 1.156 -4.485 -3.923) 6.070 10.500 ( -0.970 4.892 -5.083) 7.121 10.566 ( -1.849 1.093 -0.088) 2.150 10.926 ( -1.411 -0.878 1.204) 2.052 11.320 ( -8.112 -4.870 -2.511) 9.789 12.611 ( 1.008 -3.064 -0.137) 3.228 12.899 ( -2.329 -12.042 11.125) 16.559 20.957 ( -3.967 2.187 3.589) 5.779 21.380 ( -8.585 -3.125 -5.670) 10.752 21.802 ( 1.110 11.929 3.714) 12.543 22.088 ( 4.881 19.989 -22.072) 30.176 23.375 ( -0.894 -4.453 1.490) 4.780 23.382 ( 3.540 -2.023 4.819) 6.312 ======================= Grid point 230 (118/225) ======================= q-point: (-0.09 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -6.620 11.964 12.282) 18.379 1.379 ( 1.664 18.978 17.287) 25.725 1.829 ( -10.831 20.072 6.816) 23.804 2.116 ( -1.196 5.677 -3.237) 6.644 2.306 ( -3.804 4.120 -7.995) 9.765 2.455 ( -2.105 7.839 -4.157) 9.120 2.870 ( 2.942 3.040 -3.775) 5.670 2.954 ( 5.771 2.943 10.660) 12.474 3.197 ( -5.658 -6.460 -2.339) 8.901 3.635 ( -1.965 -6.901 -0.298) 7.182 3.851 ( -6.250 -1.746 -5.328) 8.397 4.207 ( 3.683 -7.498 9.328) 12.522 4.786 ( 3.144 7.756 -0.529) 8.386 5.105 ( 0.567 10.279 3.657) 10.925 5.461 ( 7.701 5.494 -8.637) 12.810 5.822 ( 6.612 2.689 -2.888) 7.700 6.310 ( 14.036 2.038 5.074) 15.064 6.403 ( -4.807 4.110 -5.119) 8.137 10.451 ( -0.808 1.803 -4.845) 5.232 10.531 ( -1.268 -1.566 -0.217) 2.027 10.929 ( 0.590 0.094 0.288) 0.664 11.152 ( -5.650 -4.774 -3.094) 8.018 12.657 ( 3.244 -1.945 1.814) 4.195 12.885 ( -6.944 -14.321 11.550) 19.665 20.894 ( -4.816 -0.484 -0.684) 4.888 21.205 ( -4.270 -3.275 -1.688) 5.640 21.837 ( 0.818 16.009 1.277) 16.081 22.073 ( 7.539 26.840 -19.721) 34.149 23.345 ( -1.517 -4.777 0.882) 5.089 23.534 ( 6.495 -2.921 5.974) 9.296 ======================= Grid point 231 (119/225) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 1.727 12.767 12.116) 17.686 1.692 ( -10.594 19.492 5.343) 22.820 2.020 ( 4.045 -3.608 -1.241) 5.561 2.268 ( 0.124 3.464 -2.413) 4.223 2.490 ( 5.599 13.111 -4.848) 15.058 2.608 ( 1.467 16.052 7.428) 17.748 2.917 ( -4.196 -4.315 -6.209) 8.647 2.989 ( 4.173 -0.999 1.127) 4.437 3.174 ( 3.667 1.188 11.951) 12.557 3.362 ( -0.853 -11.770 -0.521) 11.812 3.767 ( -3.295 3.417 -3.341) 5.805 4.142 ( -2.404 -5.967 2.245) 6.813 4.983 ( 1.024 7.992 0.758) 8.093 5.264 ( -1.010 3.329 2.521) 4.296 5.657 ( 1.836 10.843 -6.610) 12.831 5.949 ( 0.974 3.191 -2.091) 3.937 6.284 ( -6.459 1.271 0.541) 6.605 6.483 ( 0.265 -5.792 0.871) 5.863 10.418 ( -0.123 -0.328 -2.197) 2.225 10.484 ( 1.101 -2.068 -1.385) 2.721 10.884 ( -3.354 0.132 -2.391) 4.121 11.044 ( 4.552 -5.082 -4.115) 7.967 12.644 ( -5.271 -2.839 7.019) 9.226 12.703 ( 3.672 -2.734 3.241) 5.610 20.809 ( -2.619 2.647 -1.789) 4.132 21.097 ( 1.870 -5.880 1.224) 6.290 22.202 ( 0.559 17.751 -1.239) 17.803 22.515 ( 5.988 12.689 -14.006) 19.825 23.247 ( 0.033 -3.423 1.662) 3.805 23.551 ( 0.815 -6.791 5.321) 8.666 ======================= Grid point 232 (120/225) ======================= q-point: ( 0.09 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 1.144 11.885 11.801) 16.788 1.597 ( 1.590 16.440 8.159) 18.422 2.065 ( 2.098 -3.485 -3.161) 5.152 2.265 ( 0.252 0.165 -2.890) 2.906 2.462 ( 1.740 11.732 -7.808) 14.200 2.798 ( -1.918 -1.112 -0.183) 2.225 2.872 ( 11.671 10.215 3.929) 16.000 3.094 ( 2.087 2.077 7.370) 7.936 3.214 ( -1.838 0.302 4.934) 5.274 3.448 ( 7.105 -5.764 2.956) 9.615 3.700 ( -1.547 1.704 -2.922) 3.719 4.053 ( -6.713 -6.710 -1.130) 9.558 4.975 ( -2.164 7.604 0.017) 7.905 5.256 ( -1.321 2.526 3.124) 4.229 5.616 ( -1.792 11.972 -6.588) 13.782 5.885 ( -5.829 3.408 -2.761) 7.295 6.124 ( -10.384 3.302 3.249) 11.370 6.402 ( -8.177 -6.940 -0.679) 10.747 10.431 ( 2.273 0.204 -1.747) 2.874 10.528 ( 4.458 -1.551 -2.136) 5.181 10.822 ( -1.602 1.089 -1.261) 2.311 11.132 ( 6.522 -8.150 -4.450) 11.348 12.584 ( -4.293 1.142 5.159) 6.808 12.802 ( 3.983 -5.223 3.988) 7.684 20.807 ( 3.169 4.313 -0.600) 5.386 21.174 ( 5.103 -5.765 -0.300) 7.705 22.166 ( -3.510 18.209 -1.487) 18.604 22.538 ( 4.260 7.338 -11.944) 14.651 23.276 ( 1.849 -3.318 1.583) 4.114 23.538 ( -4.794 -6.406 4.191) 9.032 ======================= Grid point 233 (121/225) ======================= q-point: ( 0.18 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 5.340 10.261 11.164) 16.076 1.801 ( 9.752 8.757 9.201) 16.014 2.089 ( 2.774 -0.371 -2.446) 3.717 2.202 ( -3.682 3.249 -4.082) 6.385 2.543 ( 9.026 6.261 -4.641) 11.925 2.724 ( -4.091 -3.350 -1.712) 5.558 3.051 ( -6.994 1.197 4.746) 8.536 3.125 ( 10.108 3.290 -0.146) 10.631 3.307 ( 5.189 4.213 5.389) 8.585 3.614 ( 8.632 -3.225 -0.079) 9.215 3.676 ( 0.078 0.777 1.021) 1.285 3.897 ( -7.237 -6.511 -1.427) 9.839 4.913 ( -3.554 8.137 -0.782) 8.914 5.235 ( -3.495 -0.094 3.064) 4.648 5.520 ( -3.862 12.511 -6.355) 14.554 5.710 ( -9.600 3.578 -2.936) 10.658 5.932 ( -11.503 2.636 4.336) 12.572 6.206 ( -10.673 -4.054 1.202) 11.481 10.471 ( 2.855 2.118 -1.812) 3.990 10.623 ( 6.449 0.196 -2.458) 6.905 10.807 ( 0.304 1.477 0.023) 1.508 11.234 ( 6.433 -9.581 -3.679) 12.113 12.545 ( -2.331 3.248 3.354) 5.218 12.895 ( 3.021 -7.878 3.470) 9.123 20.916 ( 7.581 5.249 0.789) 9.254 21.277 ( 5.812 -3.598 -1.631) 7.027 22.052 ( -6.935 17.062 -1.675) 18.494 22.530 ( 1.337 1.035 -9.955) 10.098 23.325 ( 1.800 -3.047 1.432) 3.818 23.443 ( -6.058 -4.527 2.900) 8.099 ======================= Grid point 234 (122/225) ======================= q-point: ( 0.27 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 4.383 6.450 9.112) 11.994 2.053 ( 10.483 3.547 6.759) 12.967 2.098 ( -2.100 9.808 -5.651) 11.513 2.168 ( 4.547 1.163 1.505) 4.929 2.580 ( -8.700 -4.783 -0.171) 9.930 2.710 ( 8.803 2.892 -4.915) 10.489 2.944 ( -5.441 -0.898 -0.082) 5.515 3.247 ( 2.085 -4.272 -0.100) 4.755 3.384 ( 4.228 2.028 -5.976) 7.596 3.705 ( 1.931 -1.680 -0.073) 2.561 3.793 ( 8.998 -2.745 0.694) 9.433 3.818 ( -1.404 -0.426 6.391) 6.558 4.841 ( -3.095 9.325 -0.912) 9.868 5.140 ( -7.509 0.219 1.060) 7.586 5.387 ( -6.551 5.818 -4.280) 9.752 5.521 ( -6.826 4.492 -3.968) 9.084 5.752 ( -9.089 3.043 5.555) 11.078 6.037 ( -8.285 -1.035 4.497) 9.484 10.521 ( 3.300 4.411 -1.404) 5.685 10.735 ( 6.146 2.549 -2.388) 7.069 10.829 ( 1.443 1.959 1.271) 2.745 11.336 ( 5.750 -8.570 -1.944) 10.502 12.529 ( -0.951 3.024 1.564) 3.535 12.953 ( 1.142 -9.975 1.884) 10.216 21.092 ( 9.198 5.450 1.948) 10.867 21.373 ( 5.126 -0.700 -2.149) 5.602 21.890 ( -8.308 14.428 -1.641) 16.729 22.459 ( -3.141 -4.839 -8.266) 10.079 23.337 ( -1.623 -1.037 2.108) 2.855 23.391 ( 0.073 -3.449 0.530) 3.491 ======================= Grid point 235 (123/225) ======================= q-point: ( 0.36 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -7.480 5.310 -1.359) 9.274 2.080 ( 1.346 8.094 0.917) 8.257 2.179 ( -6.444 -3.291 3.910) 8.225 2.263 ( 3.227 4.961 -1.282) 6.056 2.488 ( 5.250 -3.204 -1.212) 6.269 2.740 ( -6.392 -10.151 -6.022) 13.423 2.890 ( 5.215 6.814 -2.346) 8.896 3.283 ( 3.802 -2.723 -0.745) 4.736 3.444 ( 4.125 -0.325 -3.465) 5.397 3.735 ( 1.699 -7.832 0.028) 8.015 3.858 ( 0.528 2.864 3.378) 4.460 3.958 ( 6.149 -1.435 2.608) 6.831 4.786 ( -2.171 10.716 -0.420) 10.942 4.979 ( -8.140 4.021 -0.737) 9.109 5.252 ( -4.707 -0.537 -1.096) 4.863 5.396 ( -3.421 1.167 -4.900) 6.089 5.673 ( -3.047 4.560 7.525) 9.311 5.933 ( -5.926 -0.137 6.203) 8.580 10.583 ( 3.517 5.965 -0.485) 6.941 10.822 ( 4.046 3.358 -2.239) 5.715 10.874 ( 1.955 4.453 2.493) 5.465 11.430 ( 4.366 -6.007 0.006) 7.426 12.522 ( -0.312 1.150 0.003) 1.191 12.960 ( -0.894 -11.055 -0.156) 11.092 21.280 ( 8.486 5.149 2.498) 10.236 21.443 ( 3.125 2.087 -2.395) 4.456 21.729 ( -6.802 11.123 -0.820) 13.063 22.322 ( -5.479 -8.562 -7.336) 12.536 23.337 ( 0.652 -0.155 1.112) 1.298 23.400 ( 0.197 -2.506 0.081) 2.515 ======================= Grid point 236 (124/225) ======================= q-point: (-0.55 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -8.133 -0.711 -4.147) 9.157 1.961 ( -12.899 -7.482 -0.765) 14.931 2.105 ( 0.686 5.363 -0.765) 5.460 2.221 ( -4.588 3.454 -7.976) 9.828 2.530 ( -4.085 -2.238 -6.261) 7.803 2.705 ( 7.920 -6.133 1.864) 10.189 3.000 ( 5.303 6.094 -0.225) 8.081 3.367 ( 3.633 -1.300 0.853) 3.952 3.494 ( 2.241 -0.703 0.001) 2.348 3.760 ( -0.006 -7.566 0.116) 7.567 3.860 ( -1.171 3.041 0.789) 3.353 4.041 ( 1.409 -4.277 0.076) 4.503 4.751 ( -0.991 10.694 -0.321) 10.745 4.860 ( -2.855 8.362 -0.474) 8.848 5.197 ( -1.182 -1.948 0.240) 2.291 5.339 ( 0.857 -1.000 -4.775) 4.953 5.715 ( 1.984 2.722 9.031) 9.639 5.876 ( -3.851 -0.383 6.612) 7.661 10.645 ( 2.717 6.314 0.434) 6.887 10.863 ( 1.654 3.198 -2.170) 4.204 10.928 ( 1.600 7.467 3.285) 8.313 11.498 ( 2.030 -3.498 1.293) 4.246 12.516 ( -0.070 -1.235 -0.880) 1.518 12.919 ( -2.570 -11.141 -1.786) 11.572 21.438 ( 0.687 5.252 -0.477) 5.318 21.444 ( 3.722 5.116 0.018) 6.327 21.653 ( -0.527 6.575 1.024) 6.675 22.183 ( -3.755 -9.576 -7.620) 12.801 23.359 ( 0.766 -0.573 0.536) 1.096 23.395 ( -0.751 -1.837 -0.041) 1.985 ======================= Grid point 237 (125/225) ======================= q-point: (-0.45 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -3.346 -5.783 -4.125) 7.852 1.716 ( -10.406 -9.620 -2.119) 14.329 2.035 ( -3.797 0.833 -8.106) 8.990 2.154 ( 2.319 2.168 -2.044) 3.776 2.426 ( -3.429 4.076 -2.672) 5.959 2.831 ( 2.868 -6.050 0.746) 6.737 3.070 ( 2.007 5.665 -0.942) 6.083 3.401 ( -1.611 0.597 1.587) 2.339 3.528 ( 0.042 -1.051 1.762) 2.052 3.719 ( -3.345 -3.537 0.102) 4.869 3.839 ( -1.723 0.473 1.039) 2.067 4.029 ( -1.064 -6.909 -2.365) 7.380 4.764 ( 2.901 10.655 -0.243) 11.046 4.856 ( 1.941 10.556 -0.297) 10.738 5.191 ( 0.679 -0.600 -0.494) 1.032 5.373 ( 5.166 -1.376 -4.672) 7.100 5.823 ( 1.271 4.390 7.264) 8.582 5.886 ( 2.850 -4.900 8.444) 10.171 10.683 ( 0.524 5.630 0.782) 5.708 10.864 ( -0.076 4.624 -2.790) 5.401 10.967 ( 0.125 7.352 3.612) 8.192 11.520 ( -0.755 -2.535 1.526) 3.054 12.511 ( 0.098 -2.998 -0.770) 3.097 12.846 ( -3.526 -10.401 -2.194) 11.199 21.351 ( -5.155 6.869 -0.722) 8.618 21.560 ( 4.420 3.872 0.530) 5.900 21.695 ( 2.926 4.330 2.352) 5.731 22.101 ( 0.982 -7.729 -9.270) 12.109 23.359 ( -1.634 -1.077 0.583) 2.042 23.376 ( -0.748 -1.771 -0.091) 1.924 ======================= Grid point 238 (126/225) ======================= q-point: (-0.36 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -6.105 -1.188 -4.545) 7.703 1.589 ( -4.410 -4.438 3.858) 7.350 2.014 ( 5.392 -3.112 -1.240) 6.348 2.183 ( 1.320 -5.762 -4.007) 7.141 2.396 ( 1.141 9.384 2.611) 9.807 2.834 ( -0.519 -4.074 -3.519) 5.409 3.054 ( -2.569 5.457 -3.159) 6.809 3.291 ( -9.934 4.273 -1.985) 10.995 3.493 ( -4.760 -0.205 3.446) 5.880 3.681 ( -2.145 -3.959 3.819) 5.904 3.808 ( -1.479 -1.473 1.723) 2.707 4.000 ( -0.285 -7.468 -2.293) 7.818 4.845 ( 4.394 10.535 -0.448) 11.423 4.911 ( 3.988 9.027 -0.376) 9.876 5.234 ( 4.998 2.213 -1.828) 5.763 5.467 ( 7.159 -0.024 -5.347) 8.936 5.865 ( 1.180 4.573 5.281) 7.085 6.061 ( 7.748 -6.403 8.148) 12.939 10.672 ( -1.811 4.479 0.304) 4.841 10.824 ( -2.264 5.385 -3.501) 6.810 10.974 ( -1.335 5.465 2.868) 6.315 11.484 ( -3.760 -3.476 0.622) 5.158 12.513 ( 0.413 -3.498 -0.059) 3.523 12.768 ( -3.265 -9.018 -0.550) 9.607 21.241 ( -6.300 6.464 1.162) 9.100 21.592 ( -1.980 -1.137 -0.441) 2.325 21.788 ( 5.570 6.702 2.069) 8.957 22.127 ( 7.960 -2.138 -11.133) 13.852 23.315 ( -2.784 -0.997 1.027) 3.130 23.359 ( -1.195 -2.587 0.200) 2.857 ======================= Grid point 239 (127/225) ======================= q-point: (-0.27 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 0.923 9.434 6.911) 11.731 1.514 ( -6.248 3.788 4.987) 8.846 2.110 ( -0.354 -6.796 -0.881) 6.862 2.246 ( 9.478 -8.213 3.605) 13.049 2.453 ( 1.325 6.565 2.169) 7.040 2.817 ( 2.606 4.047 -7.835) 9.195 2.923 ( -9.913 8.698 -3.107) 13.549 3.051 ( -9.256 3.689 -4.547) 10.952 3.391 ( -7.716 -1.680 2.317) 8.230 3.643 ( -4.461 -5.662 4.321) 8.404 3.831 ( 1.940 -2.704 5.043) 6.042 3.985 ( -0.486 -4.621 -1.196) 4.798 4.892 ( 1.633 9.713 -1.857) 10.022 5.019 ( 6.115 4.968 2.215) 8.184 5.366 ( 9.524 6.619 -3.262) 12.048 5.579 ( 7.905 1.710 -5.913) 10.019 5.953 ( 5.081 4.834 4.386) 8.272 6.252 ( 7.350 -6.536 5.058) 11.060 10.623 ( -2.951 3.081 -0.554) 4.302 10.731 ( -4.882 4.072 -3.904) 7.460 10.956 ( -1.667 3.567 1.387) 4.174 11.378 ( -6.789 -5.160 -1.413) 8.644 12.527 ( 0.965 -2.739 0.647) 2.976 12.723 ( -2.127 -7.746 3.084) 8.604 21.122 ( -6.975 5.179 2.445) 9.025 21.483 ( -7.851 -5.050 -1.957) 9.538 21.928 ( 7.315 10.634 1.097) 12.954 22.254 ( 11.565 4.143 -12.852) 17.779 23.283 ( -1.070 -1.491 2.520) 3.118 23.332 ( -1.839 -3.272 0.643) 3.808 ======================= Grid point 240 (128/225) ======================= q-point: (-0.18 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -6.473 8.942 9.511) 14.571 1.504 ( 8.790 16.410 13.130) 22.781 2.066 ( -2.663 -7.198 -1.172) 7.764 2.411 ( -0.945 -0.826 2.403) 2.711 2.452 ( -0.914 7.318 -2.701) 7.854 2.709 ( -5.252 9.492 2.583) 11.152 2.806 ( -0.017 8.702 -3.559) 9.402 2.958 ( 2.128 -0.163 -7.014) 7.331 3.229 ( -8.785 -4.687 -1.090) 10.016 3.557 ( -6.491 -9.286 2.806) 11.672 3.913 ( 0.595 -2.189 0.625) 2.353 3.986 ( 2.436 -0.573 6.076) 6.571 4.910 ( 1.598 8.543 -1.354) 8.796 5.153 ( 5.221 2.856 3.747) 7.032 5.524 ( 8.378 10.142 -5.274) 14.173 5.717 ( 9.619 1.904 -4.154) 10.650 6.114 ( 8.735 3.357 3.562) 10.013 6.388 ( 4.184 -4.604 1.832) 6.485 10.557 ( -3.075 1.429 -1.682) 3.785 10.599 ( -5.982 1.493 -3.243) 6.966 10.936 ( -0.461 2.155 -0.245) 2.218 11.215 ( -7.943 -5.592 -3.437) 10.304 12.561 ( 1.791 -1.696 1.682) 2.985 12.714 ( -2.116 -7.148 6.236) 9.719 21.006 ( -6.232 3.041 2.401) 7.338 21.290 ( -9.796 -5.486 -2.649) 11.536 22.068 ( 6.239 14.172 0.379) 15.489 22.389 ( 10.378 9.958 -15.316) 21.010 23.286 ( -1.940 -3.970 1.505) 4.668 23.334 ( 2.851 -2.852 4.591) 6.111 ======================= Grid point 241 (129/225) ======================= q-point: (-0.09 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -3.441 11.919 10.688) 16.375 1.759 ( 4.735 18.445 12.268) 22.653 1.989 ( -3.667 -3.327 -1.183) 5.091 2.291 ( -4.537 8.414 1.239) 9.639 2.416 ( 0.641 11.184 -4.528) 12.083 2.661 ( -3.260 10.745 -2.307) 11.464 2.893 ( 5.496 0.068 3.242) 6.381 3.007 ( 5.695 0.790 1.046) 5.844 3.061 ( -6.862 -6.274 -2.489) 9.625 3.440 ( -5.890 -12.251 0.382) 13.599 3.856 ( -3.629 2.363 -2.633) 5.068 4.109 ( 3.019 -3.750 6.666) 8.222 4.944 ( 2.210 8.369 -0.008) 8.656 5.245 ( 1.727 2.691 3.291) 4.589 5.623 ( 5.539 10.783 -6.454) 13.733 5.875 ( 7.504 2.422 -2.299) 8.214 6.298 ( 6.290 -1.179 1.595) 6.596 6.437 ( 1.053 -1.486 1.164) 2.162 10.472 ( -3.593 0.471 -3.700) 5.179 10.502 ( -2.337 -1.197 -0.596) 2.693 10.935 ( 0.414 0.548 -1.820) 1.945 11.059 ( -4.620 -4.389 -4.078) 7.566 12.618 ( 2.623 -1.775 3.131) 4.454 12.698 ( -3.812 -5.769 6.945) 9.800 20.904 ( -5.334 1.436 -0.357) 5.535 21.120 ( -5.335 -4.846 -0.136) 7.209 22.165 ( 3.699 16.602 -0.566) 17.019 22.471 ( 7.825 13.730 -15.714) 22.286 23.255 ( -1.721 -3.748 1.491) 4.386 23.454 ( 4.850 -5.309 6.054) 9.400 ======================= Grid point 242 (130/225) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 2.027 11.520 8.304) 14.345 1.862 ( 1.490 -8.512 3.683) 9.393 2.062 ( -7.714 14.749 2.428) 16.821 2.275 ( -4.458 -5.117 -0.130) 6.788 2.683 ( 1.592 6.977 -8.395) 11.031 2.787 ( -0.395 -4.887 -4.264) 6.497 2.898 ( 2.432 11.527 2.522) 12.048 3.043 ( 5.068 4.182 4.761) 8.114 3.122 ( 0.923 -9.345 -1.046) 9.449 3.157 ( 6.851 -5.379 11.458) 14.393 3.872 ( -3.901 6.868 -1.367) 8.016 4.015 ( -3.313 -7.132 0.522) 7.881 5.138 ( 0.179 7.366 1.260) 7.476 5.252 ( -0.445 -3.751 1.672) 4.131 5.880 ( 1.516 9.806 -2.474) 10.226 5.983 ( 1.410 -0.667 -1.442) 2.124 6.291 ( -4.112 0.711 -0.285) 4.183 6.358 ( -2.871 -6.040 0.596) 6.714 10.420 ( -0.157 0.666 -1.484) 1.634 10.444 ( 0.413 -1.767 -1.131) 2.138 10.903 ( -1.091 1.883 -3.974) 4.531 10.958 ( 1.714 -3.668 -4.316) 5.917 12.626 ( -1.157 0.575 4.635) 4.812 12.655 ( 1.496 -2.127 3.317) 4.215 20.881 ( -0.961 4.538 -0.511) 4.667 20.982 ( 0.660 -5.669 0.569) 5.735 22.504 ( 1.708 12.182 -4.326) 13.039 22.642 ( 2.745 -0.686 -8.927) 9.364 23.247 ( 0.030 4.403 3.075) 5.371 23.393 ( 0.258 -8.818 4.722) 10.007 ======================= Grid point 243 (131/225) ======================= q-point: ( 0.09 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 2.639 9.658 8.610) 13.205 1.893 ( -1.298 5.018 6.279) 8.142 1.981 ( -0.067 3.122 1.709) 3.560 2.193 ( -2.921 -8.676 0.571) 9.173 2.642 ( 0.681 6.229 -7.707) 9.933 2.723 ( -1.326 -3.353 -5.019) 6.180 3.022 ( 6.952 5.702 -2.627) 9.368 3.143 ( 1.260 -5.747 -0.574) 5.911 3.233 ( 7.383 7.798 12.166) 16.228 3.355 ( 6.670 -4.539 9.006) 12.091 3.777 ( -4.133 6.030 -2.549) 7.742 3.915 ( -6.125 -7.385 -1.687) 9.741 5.122 ( -2.413 7.056 0.899) 7.511 5.235 ( -2.282 -3.937 1.729) 4.868 5.847 ( -3.195 9.422 -3.224) 10.458 5.931 ( -5.367 0.383 -2.364) 5.877 6.160 ( -8.901 2.098 1.340) 9.243 6.259 ( -7.395 -7.218 1.194) 10.402 10.447 ( 3.458 1.434 -1.442) 4.011 10.486 ( 4.390 -2.378 -1.417) 5.190 10.877 ( 0.757 4.333 -3.214) 5.448 10.986 ( 3.664 -6.598 -4.041) 8.561 12.628 ( -1.052 3.235 3.691) 5.019 12.706 ( 1.558 -4.518 3.259) 5.784 20.914 ( 4.464 6.360 -0.248) 7.775 21.046 ( 5.377 -6.897 -0.080) 8.746 22.470 ( -2.756 11.969 -3.945) 12.900 22.607 ( -1.016 -1.422 -7.968) 8.157 23.269 ( 0.409 3.310 2.775) 4.339 23.392 ( -2.829 -7.916 4.007) 9.313 ======================= Grid point 244 (132/225) ======================= q-point: ( 0.18 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 2.528 9.062 10.007) 13.734 1.962 ( 3.330 3.112 7.850) 9.077 2.044 ( 5.200 1.447 1.782) 5.684 2.187 ( 1.877 -6.195 -1.093) 6.564 2.634 ( 0.786 3.363 -2.857) 4.482 2.681 ( -0.412 -1.426 -4.025) 4.290 3.081 ( -2.477 3.044 0.841) 4.014 3.142 ( 0.719 -1.858 -0.271) 2.011 3.408 ( 4.283 4.958 1.158) 6.653 3.510 ( 6.288 -5.798 -1.922) 8.767 3.725 ( 0.383 3.706 2.176) 4.315 3.803 ( -3.131 -4.018 1.963) 5.459 5.065 ( -3.650 7.182 0.524) 8.073 5.184 ( -4.006 -4.655 1.614) 6.349 5.706 ( -9.041 5.917 -4.593) 11.741 5.764 ( -9.483 0.323 -3.400) 10.080 5.993 ( -9.023 5.250 3.946) 11.160 6.115 ( -8.184 -5.738 3.390) 10.555 10.522 ( 4.823 2.967 -1.477) 5.852 10.584 ( 6.201 -3.187 -1.510) 7.133 10.897 ( 3.043 6.796 -2.149) 7.750 11.052 ( 5.436 -8.769 -3.171) 10.794 12.628 ( -0.930 5.219 2.483) 5.853 12.748 ( 0.912 -6.907 2.475) 7.393 21.039 ( 7.988 6.944 0.245) 10.587 21.174 ( 7.562 -6.446 -0.586) 9.953 22.346 ( -7.559 12.117 -3.441) 14.690 22.507 ( -4.829 -4.187 -6.741) 9.290 23.297 ( 0.945 0.648 2.035) 2.336 23.351 ( -2.787 -4.361 2.748) 5.859 ======================= Grid point 245 (133/225) ======================= q-point: ( 0.27 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 2.208 7.541 10.334) 12.982 2.086 ( 3.596 -1.723 8.783) 9.646 2.183 ( 7.013 2.328 0.396) 7.400 2.226 ( 4.842 0.501 -4.992) 6.973 2.542 ( -9.324 3.082 -0.197) 9.822 2.663 ( -2.129 -6.586 -2.908) 7.508 3.007 ( -1.533 6.838 -1.734) 7.218 3.148 ( 0.611 -6.430 -1.110) 6.554 3.437 ( 3.071 3.820 -7.289) 8.784 3.549 ( 2.614 -7.882 -7.151) 10.959 3.827 ( 5.118 2.387 6.800) 8.839 3.846 ( 2.632 0.513 6.610) 7.133 4.999 ( -3.121 6.682 0.293) 7.381 5.102 ( -4.919 -3.799 0.980) 6.292 5.472 ( -11.446 3.934 -3.257) 12.534 5.540 ( -10.711 -2.378 -3.449) 11.501 5.873 ( -6.212 7.672 4.925) 11.032 5.993 ( -6.820 -4.074 4.760) 9.261 10.608 ( 4.700 4.375 -1.116) 6.517 10.691 ( 5.227 -3.998 -0.981) 6.653 10.971 ( 5.374 9.281 -1.057) 10.777 11.158 ( 6.738 -9.493 -1.715) 11.767 12.618 ( -1.245 6.096 1.009) 6.303 12.766 ( -0.259 -8.757 1.070) 8.826 21.210 ( 8.876 6.212 0.800) 10.864 21.319 ( 7.466 -4.516 -0.661) 8.751 22.151 ( -9.963 11.715 -3.109) 15.690 22.340 ( -8.214 -7.573 -5.600) 12.497 23.322 ( 0.237 -0.189 1.556) 1.585 23.338 ( 0.580 -1.822 0.993) 2.155 ======================= Grid point 246 (134/225) ======================= q-point: ( 0.36 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -10.495 6.961 1.857) 12.730 2.079 ( -10.199 -5.986 3.456) 12.321 2.266 ( -0.940 9.726 -1.983) 9.971 2.357 ( 4.546 4.750 -1.965) 6.862 2.412 ( 5.500 -4.408 -0.426) 7.062 2.516 ( -6.552 -11.486 -6.859) 14.897 3.049 ( 5.499 8.613 -1.090) 10.277 3.199 ( 5.128 -6.133 -0.599) 8.017 3.473 ( 3.549 3.273 -3.375) 5.890 3.574 ( 2.925 -7.081 -2.806) 8.160 3.911 ( 0.741 2.385 3.929) 4.655 3.945 ( 2.708 -0.963 3.670) 4.662 4.954 ( -1.814 6.175 0.537) 6.458 5.021 ( -3.281 -0.461 0.496) 3.350 5.260 ( -8.278 2.460 -1.312) 8.735 5.342 ( -7.313 -4.843 -1.930) 8.981 5.807 ( -3.627 7.050 5.233) 9.499 5.908 ( -4.948 -3.020 5.296) 7.852 10.687 ( 3.837 4.727 -0.414) 6.102 10.771 ( 3.379 -3.877 -0.149) 5.145 11.080 ( 5.687 11.285 -0.006) 12.637 11.283 ( 6.302 -9.083 -0.043) 11.055 12.591 ( -1.664 5.975 -0.530) 6.225 12.750 ( -1.459 -9.845 -0.583) 9.969 21.380 ( 7.771 4.624 1.048) 9.104 21.446 ( 5.725 -1.781 -0.687) 6.035 21.945 ( -8.921 10.611 -2.627) 14.109 22.143 ( -8.201 -9.604 -4.930) 13.557 23.339 ( 0.867 0.501 0.632) 1.184 23.359 ( 0.811 -1.593 0.268) 1.808 ======================= Grid point 247 (135/225) ======================= q-point: (-0.55 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -13.895 4.662 -3.697) 15.116 1.804 ( -15.211 -7.931 -2.422) 17.325 2.191 ( -2.875 3.874 -7.281) 8.734 2.254 ( -5.632 -1.445 -10.485) 11.989 2.508 ( 3.082 1.859 0.806) 3.689 2.590 ( 7.442 -5.497 2.441) 9.568 3.155 ( 4.835 8.783 0.041) 10.026 3.303 ( 4.603 -5.556 0.594) 7.239 3.519 ( 1.917 3.047 -0.032) 3.600 3.613 ( 1.532 -6.518 -0.531) 6.717 3.916 ( -1.503 2.683 0.804) 3.178 3.971 ( -1.119 -3.089 0.456) 3.317 4.930 ( -0.566 7.408 0.550) 7.450 4.998 ( 0.168 3.161 1.034) 3.330 5.153 ( -2.232 0.090 0.028) 2.234 5.249 ( -1.223 -6.788 -0.884) 6.954 5.800 ( -0.436 4.854 6.069) 7.784 5.867 ( -2.499 -1.658 5.448) 6.219 10.748 ( 2.339 4.294 0.207) 4.894 10.821 ( 1.691 -3.303 0.316) 3.724 11.175 ( 3.496 12.685 0.900) 13.189 11.386 ( 3.554 -8.325 1.177) 9.128 12.551 ( -1.665 5.080 -1.650) 5.595 12.705 ( -2.263 -10.043 -1.875) 10.464 21.514 ( 4.234 2.330 0.580) 4.868 21.520 ( 2.721 1.876 -0.887) 3.422 21.801 ( -3.705 8.657 -1.571) 9.546 21.987 ( -4.251 -10.042 -4.734) 11.888 23.354 ( 0.264 0.137 0.159) 0.337 23.366 ( -0.240 -1.064 -0.060) 1.092 ======================= Grid point 248 (136/225) ======================= q-point: (-0.45 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -5.211 1.080 -4.246) 6.808 1.541 ( -8.269 -7.341 -3.691) 11.657 2.069 ( -3.575 2.569 -8.378) 9.464 2.129 ( -1.942 -3.114 -7.436) 8.292 2.549 ( 0.504 7.340 1.814) 7.577 2.695 ( 2.241 -7.409 1.403) 7.867 3.217 ( 1.633 8.590 -0.939) 8.794 3.362 ( 0.697 -5.043 0.923) 5.174 3.538 ( -0.759 2.224 1.634) 2.862 3.613 ( -1.357 -5.385 -0.058) 5.554 3.873 ( -2.774 2.142 -0.231) 3.512 3.926 ( -2.520 -3.644 -1.232) 4.599 4.949 ( 1.946 7.723 0.549) 7.983 5.019 ( 1.022 3.500 0.693) 3.712 5.167 ( 3.560 1.156 -0.001) 3.743 5.282 ( 5.092 -7.210 -1.480) 8.950 5.863 ( 2.669 1.504 6.801) 7.459 5.879 ( 0.537 0.600 5.547) 5.605 10.774 ( 0.047 3.786 0.308) 3.798 10.838 ( -0.146 -2.880 0.100) 2.885 11.216 ( -0.072 12.917 1.127) 12.966 11.424 ( -0.592 -7.761 1.384) 7.905 12.514 ( -0.930 3.708 -1.746) 4.203 12.647 ( -2.278 -9.193 -2.118) 9.705 21.483 ( -4.115 6.178 -0.637) 7.451 21.574 ( -0.310 -2.471 0.286) 2.507 21.805 ( 4.568 6.723 -1.153) 8.210 21.948 ( 3.718 -7.691 -5.130) 9.965 23.345 ( -1.508 -0.270 0.179) 1.542 23.350 ( -1.174 -0.797 -0.094) 1.423 ======================= Grid point 249 (137/225) ======================= q-point: (-0.36 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 1.242 3.290 -0.709) 3.587 1.491 ( 2.589 -5.228 2.976) 6.549 1.995 ( -0.207 1.377 -3.288) 3.571 2.065 ( -1.429 -5.391 -4.245) 7.009 2.572 ( 1.328 8.240 1.157) 8.426 2.722 ( 1.630 -6.980 -1.311) 7.286 3.198 ( -2.375 8.379 -3.502) 9.387 3.322 ( -5.333 -2.365 -1.710) 6.079 3.496 ( -5.055 1.190 2.863) 5.930 3.564 ( -3.797 -5.927 0.616) 7.066 3.826 ( -1.498 2.478 1.224) 3.143 3.890 ( -0.367 -4.108 0.315) 4.136 4.997 ( 2.280 5.067 0.593) 5.587 5.035 ( 0.646 2.068 -0.296) 2.187 5.291 ( 9.315 5.005 -1.441) 10.673 5.411 ( 9.039 -5.590 -3.286) 11.124 5.940 ( 2.990 3.209 5.095) 6.722 5.990 ( 5.399 -2.072 6.965) 9.053 10.751 ( -2.433 3.517 -0.139) 4.279 10.813 ( -2.427 -2.774 -0.605) 3.735 11.183 ( -3.539 11.646 0.213) 12.173 11.377 ( -4.626 -7.675 0.246) 8.965 12.500 ( 0.277 2.429 -0.641) 2.527 12.601 ( -1.320 -7.428 -0.808) 7.588 21.376 ( -6.644 7.095 0.448) 9.730 21.510 ( -5.812 -6.157 -0.034) 8.467 21.937 ( 9.447 7.496 -1.947) 12.216 22.061 ( 10.529 -4.839 -5.714) 12.920 23.305 ( -2.504 0.068 0.524) 2.559 23.320 ( -1.990 -1.405 0.292) 2.453 ======================= Grid point 250 (138/225) ======================= q-point: (-0.27 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 7.076 8.312 7.758) 13.392 1.579 ( 1.902 1.526 5.359) 5.888 1.996 ( -1.634 -2.883 1.205) 3.526 2.059 ( 4.187 -8.540 3.851) 10.261 2.616 ( 3.379 8.865 -2.127) 9.723 2.777 ( 5.805 -6.736 -4.604) 10.013 3.087 ( -6.617 7.564 -4.437) 10.986 3.141 ( -9.933 2.834 -4.719) 11.356 3.374 ( -8.725 0.758 1.349) 8.861 3.474 ( -5.973 -9.001 0.908) 10.841 3.850 ( 2.140 3.076 4.365) 5.752 3.915 ( 1.418 -3.229 3.048) 4.661 5.029 ( 0.994 4.368 -0.054) 4.480 5.070 ( 3.224 0.175 0.503) 3.268 5.488 ( 11.621 5.693 -2.706) 13.220 5.574 ( 9.949 -2.575 -4.763) 11.327 6.050 ( 5.290 5.075 4.302) 8.499 6.146 ( 6.443 -4.762 5.640) 9.798 10.682 ( -4.299 2.856 -0.683) 5.206 10.733 ( -5.146 -2.148 -1.412) 5.752 11.095 ( -4.646 8.700 -1.400) 9.962 11.256 ( -6.939 -7.318 -1.893) 10.261 12.516 ( 1.215 1.690 1.043) 2.328 12.590 ( -0.185 -5.548 1.576) 5.770 21.234 ( -8.210 6.274 1.077) 10.388 21.363 ( -8.764 -6.652 -0.501) 11.014 22.130 ( 11.310 9.200 -2.522) 14.795 22.261 ( 13.209 -3.499 -6.792) 15.259 23.265 ( -1.950 -0.089 1.424) 2.416 23.282 ( -2.019 -1.737 1.016) 2.851 ======================= Grid point 251 (139/225) ======================= q-point: (-0.18 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -2.104 9.250 6.204) 11.335 1.723 ( 6.452 0.462 7.481) 9.890 2.000 ( 1.770 5.964 6.578) 9.053 2.226 ( 6.533 -12.514 9.085) 16.787 2.670 ( 3.671 10.968 -5.514) 12.813 2.863 ( 4.602 -7.701 -7.102) 11.442 2.895 ( -7.320 7.643 -0.989) 10.629 2.958 ( -5.585 3.286 -3.905) 7.565 3.191 ( -9.638 2.330 -0.892) 9.956 3.341 ( -7.890 -11.044 0.159) 13.573 3.928 ( 1.689 2.255 3.320) 4.354 3.968 ( 1.950 -1.535 4.993) 5.575 5.058 ( 2.046 6.341 0.269) 6.668 5.150 ( 3.924 -2.757 1.751) 5.105 5.687 ( 9.881 5.532 -3.147) 11.753 5.738 ( 9.843 -0.219 -3.938) 10.603 6.187 ( 6.177 4.605 2.756) 8.182 6.290 ( 5.080 -5.424 3.360) 8.156 10.582 ( -5.167 1.257 -1.031) 5.417 10.604 ( -6.655 -0.763 -1.889) 6.960 11.006 ( -2.895 4.608 -2.811) 6.125 11.106 ( -6.189 -5.420 -3.773) 9.051 12.554 ( 1.479 1.148 2.560) 3.171 12.606 ( -0.013 -4.027 3.557) 5.373 21.080 ( -7.969 4.469 1.011) 9.192 21.179 ( -9.251 -5.519 -0.622) 10.790 22.324 ( 9.793 11.107 -3.088) 15.127 22.465 ( 11.777 -2.220 -8.421) 14.647 23.243 ( -1.575 -0.071 1.970) 2.523 23.276 ( 0.624 -2.829 3.043) 4.201 ======================= Grid point 252 (140/225) ======================= q-point: (-0.09 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -0.817 11.654 7.192) 13.719 1.814 ( 1.320 -9.764 3.444) 10.438 2.120 ( 1.571 14.679 7.577) 16.594 2.328 ( -0.830 -4.923 2.759) 5.704 2.658 ( 1.328 10.815 -3.747) 11.522 2.797 ( -2.423 -0.580 -0.945) 2.664 2.920 ( 5.549 1.914 1.872) 6.161 2.956 ( 1.046 1.260 -2.954) 3.378 3.025 ( -3.373 0.707 0.505) 3.483 3.189 ( -6.680 -12.382 -0.565) 14.080 3.932 ( -1.851 4.903 0.537) 5.268 4.029 ( 0.519 -4.615 3.570) 5.858 5.106 ( 2.126 7.651 1.094) 8.016 5.225 ( 2.206 -4.026 2.003) 5.008 5.821 ( 5.990 7.779 -3.003) 10.267 5.900 ( 7.613 -0.608 -1.794) 7.845 6.297 ( 3.275 1.671 0.684) 3.739 6.367 ( 1.205 -4.678 1.445) 5.043 10.477 ( -4.598 0.197 -1.862) 4.964 10.485 ( -3.682 -0.621 -1.050) 3.878 10.952 ( -1.011 1.215 -3.707) 4.030 10.989 ( -2.891 -2.675 -4.475) 5.962 12.600 ( 1.182 0.131 3.743) 3.928 12.624 ( -0.473 -2.304 4.092) 4.720 20.950 ( -5.523 3.206 0.053) 6.386 21.026 ( -5.543 -4.484 0.222) 7.133 22.457 ( 5.771 12.232 -3.905) 14.077 22.600 ( 7.384 -0.996 -9.383) 11.981 23.235 ( -0.645 2.423 2.700) 3.684 23.333 ( 2.351 -6.471 4.591) 8.275 ======================= Grid point 297 (141/225) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 6.003 0.000 15.684) 16.793 1.143 ( -6.625 0.000 17.712) 18.910 1.584 ( -6.154 0.000 -12.818) 14.219 1.705 ( 5.181 0.000 -8.427) 9.892 2.172 ( 4.622 0.000 26.845) 27.240 2.320 ( 3.695 0.000 -1.816) 4.117 2.896 ( -0.755 0.000 0.870) 1.152 3.007 ( 0.963 0.000 -3.508) 3.638 3.286 ( -1.550 0.000 0.781) 1.736 3.645 ( 1.670 0.000 -1.780) 2.441 3.834 ( -0.974 0.000 1.721) 1.978 4.574 ( -6.511 0.000 -13.299) 14.807 4.663 ( 1.041 0.000 1.715) 2.006 4.741 ( 1.374 0.000 -1.432) 1.985 5.287 ( -2.408 0.000 3.910) 4.592 5.740 ( -0.531 0.000 -1.910) 1.983 5.756 ( -0.262 0.000 -3.272) 3.282 6.570 ( 4.259 0.000 -0.473) 4.286 10.418 ( 1.146 0.000 0.401) 1.214 10.554 ( -1.095 0.000 -0.162) 1.107 10.937 ( -2.996 0.000 1.537) 3.367 11.187 ( 6.174 0.000 -4.390) 7.575 12.863 ( 3.899 0.000 2.971) 4.902 13.239 ( -13.289 0.000 -1.670) 13.393 20.815 ( 0.221 0.000 1.964) 1.976 21.328 ( -0.210 0.000 -1.789) 1.801 21.350 ( -11.688 0.000 2.018) 11.861 21.410 ( 26.824 0.000 -0.675) 26.833 23.465 ( 0.137 0.000 0.533) 0.551 23.720 ( 1.610 0.000 -0.743) 1.773 ======================= Grid point 298 (142/225) ======================= q-point: ( 0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 9.773 0.000 15.971) 18.724 1.288 ( 10.901 0.000 10.193) 14.924 1.469 ( 2.952 0.000 -8.540) 9.036 1.832 ( 13.523 0.000 -10.528) 17.138 2.308 ( -3.072 0.000 -4.808) 5.706 2.484 ( 12.111 0.000 21.162) 24.382 2.897 ( 0.324 0.000 1.225) 1.267 2.930 ( -3.799 0.000 -9.754) 10.467 3.351 ( 6.995 0.000 0.659) 7.026 3.657 ( -1.335 0.000 -1.274) 1.845 3.748 ( -7.839 0.000 2.857) 8.343 4.446 ( -0.663 0.000 -3.495) 3.557 4.629 ( -4.673 0.000 -0.048) 4.673 4.757 ( 1.132 0.000 -2.447) 2.696 5.237 ( -5.314 0.000 5.163) 7.409 5.681 ( -4.320 0.000 -1.602) 4.608 5.723 ( -1.517 0.000 -1.781) 2.340 6.513 ( -7.670 0.000 -3.858) 8.585 10.420 ( -1.008 0.000 -1.033) 1.443 10.534 ( -1.060 0.000 1.149) 1.564 10.899 ( -0.974 0.000 1.190) 1.537 11.343 ( 11.333 0.000 -6.491) 13.060 12.762 ( -11.916 0.000 1.477) 12.007 13.213 ( 5.518 0.000 8.370) 10.025 20.851 ( 2.497 0.000 1.271) 2.802 21.159 ( -6.584 0.000 -2.863) 7.179 21.316 ( -0.130 0.000 -1.159) 1.166 21.895 ( 24.117 0.000 -9.925) 26.080 23.477 ( 0.455 0.000 0.433) 0.628 23.685 ( -3.942 0.000 -1.871) 4.363 ======================= Grid point 299 (143/225) ======================= q-point: ( 0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 5.395 0.000 -7.505) 9.243 1.631 ( 14.886 0.000 12.228) 19.265 1.709 ( 15.217 0.000 9.528) 17.953 2.067 ( 16.080 0.000 -11.197) 19.594 2.164 ( -7.468 0.000 -5.573) 9.318 2.793 ( -1.180 0.000 -13.341) 13.393 2.882 ( 16.488 0.000 12.575) 20.736 2.911 ( 0.222 0.000 0.197) 0.297 3.471 ( -5.837 0.000 -1.807) 6.111 3.532 ( 4.347 0.000 0.800) 4.420 3.722 ( 0.499 0.000 3.030) 3.071 4.456 ( 0.184 0.000 3.318) 3.323 4.490 ( -8.512 0.000 -1.906) 8.723 4.760 ( 0.914 0.000 -3.183) 3.311 5.143 ( -7.567 0.000 5.184) 9.172 5.563 ( -6.385 0.000 -1.826) 6.641 5.681 ( -2.266 0.000 0.289) 2.284 6.308 ( -9.436 0.000 -1.991) 9.644 10.373 ( -2.556 0.000 -1.673) 3.055 10.525 ( -0.944 0.000 1.696) 1.940 10.913 ( 1.530 0.000 0.834) 1.743 11.503 ( 8.104 0.000 -5.401) 9.739 12.591 ( -6.310 0.000 3.811) 7.372 13.370 ( 4.035 0.000 7.301) 8.342 20.923 ( 4.234 0.000 0.319) 4.246 21.085 ( 1.329 0.000 -3.910) 4.130 21.307 ( -0.313 0.000 -0.279) 0.419 22.215 ( 16.096 0.000 -12.804) 20.568 23.464 ( -2.954 0.000 1.162) 3.174 23.587 ( -3.447 0.000 -2.188) 4.083 ======================= Grid point 300 (144/225) ======================= q-point: ( 0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 5.505 0.000 -4.146) 6.891 1.941 ( 10.602 0.000 3.416) 11.139 1.952 ( -3.308 0.000 0.554) 3.354 2.096 ( 11.237 0.000 4.360) 12.053 2.284 ( 11.914 0.000 -9.639) 15.325 2.712 ( -0.101 0.000 -6.875) 6.876 2.900 ( -1.042 0.000 -1.239) 1.619 3.207 ( 8.728 0.000 -6.958) 11.162 3.404 ( 6.334 0.000 6.657) 9.189 3.664 ( 5.345 0.000 -2.232) 5.793 3.769 ( 2.366 0.000 5.757) 6.224 4.306 ( -8.253 0.000 -2.407) 8.596 4.465 ( -1.512 0.000 4.198) 4.462 4.742 ( -1.591 0.000 -2.942) 3.345 5.008 ( -7.852 0.000 1.430) 7.981 5.431 ( -5.376 0.000 -2.025) 5.745 5.644 ( -2.285 0.000 2.761) 3.584 6.182 ( -3.644 0.000 4.183) 5.547 10.313 ( -2.454 0.000 -1.272) 2.764 10.512 ( -1.294 0.000 1.296) 1.831 10.958 ( 2.235 0.000 1.436) 2.657 11.584 ( 2.875 0.000 -2.443) 3.773 12.563 ( 0.622 0.000 3.447) 3.502 13.431 ( -0.908 0.000 2.883) 3.023 21.013 ( 4.998 0.000 -0.838) 5.067 21.159 ( 6.974 0.000 -0.261) 6.979 21.298 ( -0.811 0.000 0.819) 1.153 22.370 ( 7.900 0.000 -13.663) 15.782 23.396 ( -3.330 0.000 1.558) 3.676 23.540 ( -1.082 0.000 -1.198) 1.614 ======================= Grid point 301 (145/225) ======================= q-point: ( 0.36 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 3.239 0.000 3.129) 4.504 1.894 ( 0.458 0.000 -2.115) 2.164 2.066 ( 5.092 0.000 -8.563) 9.963 2.349 ( 8.107 0.000 5.025) 9.538 2.350 ( -2.747 0.000 -5.092) 5.786 2.749 ( 7.084 0.000 0.297) 7.090 2.873 ( -0.136 0.000 -0.894) 0.905 3.272 ( 6.056 0.000 -6.036) 8.550 3.602 ( 3.978 0.000 -1.480) 4.244 3.711 ( 3.829 0.000 -0.949) 3.945 3.891 ( 5.401 0.000 5.537) 7.735 4.167 ( -4.272 0.000 -1.704) 4.599 4.460 ( -0.925 0.000 3.238) 3.368 4.628 ( -9.170 0.000 -1.420) 9.280 4.892 ( -2.391 0.000 -5.173) 5.699 5.354 ( -1.437 0.000 -0.720) 1.607 5.630 ( -1.460 0.000 4.855) 5.070 6.205 ( 1.459 0.000 8.473) 8.598 10.269 ( -1.381 0.000 -0.658) 1.530 10.491 ( -1.409 0.000 0.749) 1.596 11.012 ( 1.974 0.000 2.346) 3.065 11.602 ( 0.157 0.000 -0.089) 0.181 12.627 ( 3.428 0.000 2.564) 4.281 13.383 ( -3.959 0.000 -1.266) 4.156 21.097 ( 4.126 0.000 -2.030) 4.598 21.288 ( -0.998 0.000 1.983) 2.220 21.324 ( 8.100 0.000 4.327) 9.183 22.363 ( 0.344 0.000 -13.989) 13.993 23.383 ( 0.802 0.000 1.614) 1.802 23.515 ( -1.112 0.000 -0.312) 1.155 ======================= Grid point 302 (146/225) ======================= q-point: ( 0.45 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 4.027 0.000 6.986) 8.063 1.927 ( 3.302 0.000 -2.522) 4.155 2.090 ( 0.809 0.000 -6.453) 6.504 2.169 ( -7.808 0.000 -6.918) 10.432 2.420 ( -2.308 0.000 1.802) 2.928 2.912 ( 3.404 0.000 1.285) 3.638 2.924 ( 7.608 0.000 3.383) 8.327 3.337 ( 1.336 0.000 -5.195) 5.364 3.552 ( -2.812 0.000 -4.145) 5.008 3.795 ( 2.186 0.000 2.770) 3.528 3.993 ( 2.265 0.000 1.964) 2.998 4.141 ( 2.505 0.000 -0.005) 2.505 4.408 ( -10.725 0.000 -2.745) 11.071 4.476 ( 0.781 0.000 2.035) 2.179 4.840 ( 0.346 0.000 -7.176) 7.185 5.358 ( 1.473 0.000 0.156) 1.481 5.643 ( -0.456 0.000 5.332) 5.351 6.313 ( 4.209 0.000 7.233) 8.368 10.252 ( -0.132 0.000 -0.338) 0.363 10.471 ( -0.894 0.000 0.475) 1.013 11.059 ( 1.225 0.000 2.543) 2.823 11.601 ( -0.372 0.000 0.876) 0.952 12.707 ( 3.055 0.000 1.984) 3.642 13.283 ( -4.556 0.000 -2.535) 5.214 21.131 ( 0.269 0.000 -1.764) 1.784 21.295 ( 0.843 0.000 1.732) 1.926 21.504 ( 6.470 0.000 7.200) 9.680 22.244 ( -3.314 0.000 -14.053) 14.439 23.421 ( 1.636 0.000 1.327) 2.106 23.492 ( -1.162 0.000 0.057) 1.163 ======================= Grid point 303 (147/225) ======================= q-point: (-0.45 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 3.029 0.000 3.964) 4.989 1.858 ( -15.238 0.000 0.281) 15.241 1.930 ( -3.072 0.000 -4.576) 5.511 2.191 ( 7.041 0.000 -5.587) 8.988 2.375 ( -1.179 0.000 4.189) 4.352 2.955 ( -0.614 0.000 -0.414) 0.740 3.030 ( 0.420 0.000 0.436) 0.605 3.189 ( -12.161 0.000 -1.539) 12.258 3.525 ( 0.316 0.000 -1.453) 1.487 3.819 ( -0.707 0.000 1.071) 1.284 4.023 ( 0.468 0.000 2.167) 2.217 4.198 ( -2.908 0.000 -3.667) 4.680 4.300 ( 7.551 0.000 3.746) 8.429 4.494 ( -0.007 0.000 0.336) 0.336 4.812 ( 1.097 0.000 -6.984) 7.070 5.392 ( 1.912 0.000 -1.074) 2.193 5.670 ( 0.236 0.000 4.245) 4.251 6.434 ( 4.900 0.000 1.694) 5.185 10.256 ( 0.660 0.000 -0.504) 0.830 10.468 ( 0.307 0.000 0.627) 0.698 11.084 ( -0.069 0.000 1.634) 1.635 11.600 ( -0.414 0.000 1.075) 1.152 12.757 ( 1.103 0.000 0.229) 1.127 13.198 ( -2.851 0.000 0.464) 2.888 21.093 ( -3.203 0.000 0.086) 3.204 21.331 ( 1.964 0.000 -0.064) 1.965 21.648 ( 3.446 0.000 7.032) 7.831 22.082 ( -4.685 0.000 -13.231) 14.035 23.438 ( -1.228 0.000 0.672) 1.400 23.479 ( 0.263 0.000 0.553) 0.612 ======================= Grid point 304 (148/225) ======================= q-point: (-0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -15.070 0.000 7.609) 16.882 1.718 ( -13.642 0.000 -2.956) 13.958 1.846 ( 2.993 0.000 -0.647) 3.062 2.310 ( 6.414 0.000 -1.074) 6.503 2.434 ( 2.635 0.000 2.643) 3.732 2.805 ( -19.654 0.000 -1.308) 19.697 2.879 ( -5.172 0.000 -1.967) 5.533 3.026 ( -7.862 0.000 3.848) 8.753 3.516 ( -0.914 0.000 0.768) 1.194 3.783 ( -2.934 0.000 -1.529) 3.308 4.048 ( 0.986 0.000 0.385) 1.059 4.159 ( 2.130 0.000 -2.272) 3.114 4.487 ( -0.319 0.000 0.283) 0.427 4.559 ( 12.763 0.000 7.470) 14.788 4.802 ( 2.597 0.000 -7.175) 7.631 5.419 ( 2.442 0.000 -3.018) 3.883 5.700 ( 0.760 0.000 2.363) 2.482 6.504 ( 3.055 0.000 -5.352) 6.163 10.270 ( 1.162 0.000 -0.683) 1.348 10.491 ( 1.478 0.000 0.785) 1.673 11.072 ( -1.735 0.000 0.218) 1.749 11.591 ( -1.363 0.000 0.873) 1.619 12.740 ( -1.882 0.000 -3.055) 3.588 13.207 ( 1.899 0.000 6.644) 6.910 21.020 ( -4.626 0.000 1.338) 4.816 21.361 ( 1.398 0.000 -1.243) 1.870 21.671 ( -3.919 0.000 -5.393) 6.667 21.936 ( -4.142 0.000 -1.568) 4.428 23.402 ( -2.004 0.000 0.778) 2.150 23.496 ( 0.599 0.000 0.603) 0.850 ======================= Grid point 305 (149/225) ======================= q-point: (-0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -11.174 0.000 18.148) 21.312 1.397 ( -17.218 0.000 0.094) 17.219 1.920 ( 4.664 0.000 0.400) 4.682 2.356 ( -10.622 0.000 -3.191) 11.091 2.388 ( -16.018 0.000 7.203) 17.562 2.398 ( -6.164 0.000 -7.560) 9.755 2.818 ( 0.064 0.000 2.515) 2.516 2.895 ( -6.231 0.000 6.178) 8.774 3.493 ( -2.636 0.000 1.528) 3.047 3.695 ( -3.488 0.000 -4.881) 5.999 4.038 ( -1.465 0.000 -4.701) 4.924 4.244 ( 6.809 0.000 -0.228) 6.813 4.523 ( 3.983 0.000 3.026) 5.002 4.745 ( 1.059 0.000 2.250) 2.487 4.917 ( 12.892 0.000 -0.637) 12.907 5.469 ( 5.191 0.000 -3.506) 6.264 5.728 ( 1.336 0.000 0.223) 1.355 6.479 ( -0.719 0.000 -10.229) 10.255 10.295 ( 1.778 0.000 -0.381) 1.818 10.528 ( 1.765 0.000 0.522) 1.840 11.023 ( -2.892 0.000 -0.697) 2.975 11.541 ( -4.544 0.000 0.236) 4.551 12.676 ( -1.837 0.000 -3.220) 3.707 13.341 ( 6.554 0.000 8.628) 10.836 20.937 ( -4.778 0.000 2.057) 5.202 21.370 ( 0.532 0.000 -1.893) 1.966 21.424 ( -12.829 0.000 -15.984) 20.495 21.883 ( -6.036 0.000 9.592) 11.333 23.399 ( 1.502 0.000 1.704) 2.271 23.503 ( -0.271 0.000 0.615) 0.672 ======================= Grid point 306 (150/225) ======================= q-point: (-0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -15.374 0.000 6.727) 16.781 1.362 ( -6.469 0.000 23.576) 24.448 1.934 ( -22.842 0.000 8.764) 24.466 2.014 ( 1.668 0.000 1.029) 1.959 2.176 ( -6.208 0.000 -11.831) 13.360 2.214 ( -11.934 0.000 1.172) 11.991 2.867 ( 1.915 0.000 2.713) 3.320 2.902 ( 0.884 0.000 8.552) 8.598 3.419 ( -4.788 0.000 -0.073) 4.788 3.631 ( 0.387 0.000 -4.893) 4.908 3.939 ( -4.265 0.000 -6.875) 8.091 4.400 ( 8.392 0.000 1.504) 8.526 4.668 ( 8.407 0.000 -0.678) 8.434 4.748 ( -0.130 0.000 -1.003) 1.011 5.146 ( 8.598 0.000 2.837) 9.054 5.587 ( 8.405 0.000 -2.206) 8.689 5.754 ( 1.735 0.000 -1.896) 2.570 6.383 ( -2.134 0.000 -7.187) 7.497 10.334 ( 2.246 0.000 0.236) 2.258 10.559 ( 1.127 0.000 -0.003) 1.127 10.966 ( -2.087 0.000 -0.661) 2.189 11.409 ( -8.790 0.000 -0.356) 8.798 12.659 ( 1.734 0.000 -0.875) 1.942 13.516 ( 5.970 0.000 2.351) 6.416 20.865 ( -3.863 0.000 2.381) 4.538 21.073 ( -12.687 0.000 -7.704) 14.843 21.362 ( -0.076 0.000 -2.175) 2.177 21.775 ( -11.070 0.000 9.693) 14.714 23.478 ( 2.699 0.000 0.767) 2.806 23.503 ( 2.174 0.000 2.389) 3.230 ======================= Grid point 307 (151/225) ======================= q-point: (-0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -6.479 0.000 13.731) 15.182 1.291 ( -15.296 0.000 17.531) 23.266 1.704 ( -4.664 0.000 6.449) 7.959 1.826 ( -10.545 0.000 -11.389) 15.521 2.050 ( -6.540 0.000 14.126) 15.566 2.214 ( 6.964 0.000 -0.831) 7.013 2.900 ( 0.164 0.000 1.246) 1.256 2.970 ( 1.878 0.000 3.481) 3.955 3.342 ( -4.126 0.000 3.170) 5.203 3.631 ( 2.382 0.000 -6.294) 6.730 3.841 ( -1.568 0.000 -2.830) 3.235 4.566 ( 6.812 0.000 2.449) 7.239 4.738 ( 0.757 0.000 -12.522) 12.545 4.739 ( -0.004 0.000 -1.334) 1.334 5.270 ( 2.344 0.000 3.308) 4.054 5.717 ( 4.875 0.000 -2.799) 5.621 5.768 ( 1.183 0.000 -3.368) 3.570 6.409 ( 7.297 0.000 2.593) 7.744 10.381 ( 2.138 0.000 0.696) 2.248 10.568 ( -0.044 0.000 -0.408) 0.410 10.949 ( 0.519 0.000 -0.146) 0.539 11.229 ( -7.832 0.000 -0.815) 7.874 12.734 ( 5.447 0.000 1.980) 5.795 13.509 ( -6.757 0.000 -6.680) 9.502 20.820 ( -2.073 0.000 2.345) 3.130 20.999 ( 8.687 0.000 5.030) 10.038 21.345 ( -0.284 0.000 -2.135) 2.154 21.581 ( -13.602 0.000 6.917) 15.259 23.470 ( -0.966 0.000 0.624) 1.150 23.634 ( 6.378 0.000 1.477) 6.546 ======================= Grid point 308 (152/225) ======================= q-point: ( 0.00 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 3.351 14.086 14.304) 20.353 1.224 ( -7.195 8.247 15.359) 18.860 1.708 ( -3.346 11.251 -12.254) 16.968 1.758 ( 4.288 5.334 -8.587) 10.981 2.239 ( 7.267 4.913 16.830) 18.979 2.327 ( 0.668 3.002 5.049) 5.911 2.872 ( -0.005 -1.310 1.051) 1.680 3.072 ( 1.474 4.777 -3.154) 5.912 3.263 ( -2.381 -1.920 1.351) 3.344 3.646 ( 1.498 0.235 -1.233) 1.955 3.766 ( -1.643 -6.616 1.355) 6.950 4.417 ( -3.727 -10.067 -6.518) 12.559 4.725 ( 0.979 5.350 1.333) 5.600 4.876 ( 0.074 10.390 -3.511) 10.967 5.334 ( -0.854 3.254 0.349) 3.383 5.765 ( 0.001 2.682 -1.952) 3.317 5.928 ( -3.771 14.644 -2.513) 15.329 6.560 ( 4.022 -1.144 -1.259) 4.367 10.410 ( 1.110 -0.750 0.009) 1.340 10.537 ( -0.762 -1.644 -0.460) 1.869 10.929 ( -3.292 -0.830 1.544) 3.729 11.154 ( 5.989 -3.232 -4.303) 8.051 12.843 ( 3.141 -1.936 2.667) 4.553 13.125 ( -10.400 -10.074 1.392) 14.546 20.769 ( -0.969 -3.032 -0.086) 3.185 21.302 ( -1.432 -2.414 0.535) 2.857 21.510 ( -2.532 13.403 -0.023) 13.640 21.583 ( 16.930 16.595 -3.224) 23.925 23.433 ( 0.178 -3.108 0.539) 3.160 23.721 ( 1.322 -0.085 0.020) 1.325 ======================= Grid point 309 (153/225) ======================= q-point: ( 0.09 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 7.446 5.565 14.104) 16.891 1.428 ( 10.801 8.816 13.576) 19.460 1.595 ( 0.017 12.365 -10.641) 16.313 1.884 ( 13.277 5.181 -9.920) 17.364 2.274 ( -2.966 -2.755 -4.517) 6.066 2.577 ( 12.522 8.930 17.982) 23.662 2.874 ( -0.183 -1.820 0.950) 2.061 2.994 ( -4.869 5.614 -8.940) 11.626 3.322 ( 7.030 -2.774 1.595) 7.724 3.660 ( -1.736 0.315 -0.765) 1.923 3.714 ( -3.884 -3.450 3.031) 6.015 4.323 ( -1.974 -9.526 -2.265) 9.989 4.692 ( -4.423 5.432 -0.191) 7.008 4.872 ( 1.002 10.569 -2.743) 10.965 5.290 ( -4.159 3.800 2.265) 6.072 5.704 ( -4.942 2.276 -1.717) 5.705 5.846 ( -4.247 11.379 1.136) 12.199 6.496 ( -7.770 -1.778 -3.940) 8.891 10.414 ( -0.548 -0.490 -1.166) 1.379 10.528 ( -0.079 -0.593 0.592) 0.841 10.885 ( -1.320 -1.340 1.392) 2.340 11.302 ( 10.674 -4.079 -6.066) 12.937 12.735 ( -10.951 -2.432 2.143) 11.421 13.150 ( 6.057 -5.955 7.200) 11.135 20.791 ( 2.830 -3.770 0.859) 4.791 21.221 ( -4.051 3.489 -1.505) 5.554 21.449 ( -1.840 12.864 -1.514) 13.083 21.955 ( 20.612 6.298 -10.184) 23.838 23.449 ( 0.954 -2.775 0.317) 2.951 23.682 ( -4.561 -0.328 -1.066) 4.696 ======================= Grid point 310 (154/225) ======================= q-point: ( 0.18 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 4.498 9.284 -4.583) 11.289 1.659 ( 11.820 3.833 8.099) 14.833 1.753 ( 13.851 3.900 10.382) 17.744 2.112 ( 13.155 4.279 -9.119) 16.568 2.159 ( -2.988 0.110 -5.729) 6.463 2.825 ( -4.282 1.136 -8.159) 9.284 2.885 ( 1.077 -0.336 -4.026) 4.181 2.946 ( 15.205 5.955 9.749) 19.018 3.491 ( 5.555 -3.761 2.045) 7.013 3.516 ( -5.649 3.732 -1.832) 7.014 3.728 ( 1.174 0.554 2.806) 3.092 4.308 ( -0.665 -11.634 2.799) 11.985 4.568 ( -7.320 6.263 -1.155) 9.703 4.870 ( 0.568 10.459 -3.410) 11.016 5.201 ( -6.883 4.293 3.318) 8.764 5.570 ( -7.251 0.747 -1.823) 7.514 5.771 ( -4.753 8.367 2.920) 10.056 6.291 ( -9.465 -1.619 -1.709) 9.754 10.381 ( -1.665 0.801 -1.592) 2.439 10.535 ( 0.079 1.033 1.141) 1.541 10.896 ( 1.354 -1.706 1.111) 2.445 11.457 ( 8.086 -4.562 -4.968) 10.530 12.583 ( -5.773 -0.634 3.580) 6.823 13.300 ( 4.105 -6.723 5.871) 9.825 20.887 ( 6.176 -1.865 1.874) 6.718 21.165 ( 0.196 5.829 -3.919) 7.027 21.413 ( -1.367 10.397 -0.491) 10.498 22.227 ( 14.277 1.360 -12.465) 19.002 23.454 ( -1.635 -1.288 0.896) 2.266 23.569 ( -4.715 -1.527 -1.569) 5.198 ======================= Grid point 311 (155/225) ======================= q-point: ( 0.27 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 3.164 6.452 -5.057) 8.788 1.911 ( 5.208 -0.306 3.134) 6.087 2.017 ( 2.986 3.976 2.410) 5.526 2.113 ( 10.420 1.609 3.966) 11.265 2.327 ( 10.669 4.224 -9.535) 14.919 2.716 ( -1.614 -0.354 -4.117) 4.436 2.880 ( 0.295 -0.749 -3.446) 3.539 3.223 ( 7.180 1.211 -6.642) 9.856 3.420 ( 3.928 0.003 3.514) 5.270 3.664 ( 6.781 1.071 1.411) 7.008 3.773 ( 1.696 0.753 4.147) 4.543 4.308 ( -1.048 -8.988 2.264) 9.328 4.419 ( -7.035 5.722 -0.093) 9.068 4.842 ( -2.084 9.156 -3.178) 9.914 5.065 ( -7.589 4.820 0.494) 9.004 5.424 ( -5.891 -0.571 -1.816) 6.191 5.704 ( -3.874 5.324 3.949) 7.678 6.163 ( -4.225 -1.703 4.439) 6.360 10.343 ( -1.285 2.853 -1.025) 3.293 10.538 ( -0.440 2.595 0.862) 2.770 10.941 ( 2.231 -1.715 1.648) 3.262 11.549 ( 3.633 -3.566 -2.215) 5.552 12.553 ( 0.182 -0.892 2.992) 3.127 13.359 ( -0.413 -6.943 1.987) 7.233 21.039 ( 7.115 1.800 3.175) 7.997 21.182 ( 3.947 3.505 -3.628) 6.405 21.389 ( -1.162 8.312 1.058) 8.459 22.357 ( 6.822 -1.225 -13.184) 14.895 23.395 ( -3.392 -0.105 1.441) 3.687 23.516 ( -0.877 -2.340 -1.093) 2.727 ======================= Grid point 312 (156/225) ======================= q-point: ( 0.36 0.11 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 3.002 2.407 0.014) 3.848 1.913 ( -0.570 2.438 -0.568) 2.567 2.084 ( 3.659 1.800 -6.948) 8.056 2.311 ( -0.303 -2.058 0.066) 2.081 2.396 ( 3.782 2.883 -1.340) 4.940 2.763 ( 7.050 1.113 1.308) 7.257 2.849 ( -0.272 -2.314 -2.760) 3.612 3.269 ( 5.694 -0.454 -6.297) 8.502 3.569 ( 4.544 -3.169 0.693) 5.583 3.734 ( 1.572 2.524 -1.286) 3.240 3.881 ( 5.301 -0.364 4.965) 7.272 4.279 ( -2.544 9.643 -1.467) 10.080 4.335 ( -1.428 -9.590 2.851) 10.106 4.716 ( -9.288 6.641 -1.658) 11.538 4.956 ( -1.960 6.405 -4.832) 8.259 5.342 ( -1.643 -1.180 -0.595) 2.108 5.679 ( -1.591 4.301 5.264) 6.982 6.166 ( 0.113 -3.610 8.313) 9.063 10.324 ( -0.173 5.281 -0.279) 5.291 10.529 ( -0.864 3.760 0.366) 3.875 10.995 ( 1.980 -1.597 2.460) 3.539 11.582 ( 0.841 -1.959 -0.004) 2.132 12.603 ( 2.838 -2.284 2.114) 4.212 13.319 ( -3.338 -6.249 -1.586) 7.260 21.154 ( 3.535 5.361 -1.237) 6.540 21.269 ( 3.810 -0.114 2.416) 4.513 21.403 ( 2.577 6.161 3.232) 7.419 22.338 ( -0.185 -2.508 -13.390) 13.624 23.379 ( 0.622 -0.431 1.433) 1.621 23.496 ( -0.896 -1.851 -0.348) 2.086 ======================= Grid point 313 (157/225) ======================= q-point: ( 0.45 0.11 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 5.358 0.359 4.487) 6.998 1.915 ( 1.000 1.037 -1.489) 2.072 2.080 ( -1.411 -1.126 -5.983) 6.249 2.153 ( -7.745 -1.837 -4.955) 9.376 2.404 ( -3.516 -1.420 -2.077) 4.324 2.898 ( 4.766 -1.628 1.353) 5.214 2.926 ( 6.592 0.237 2.832) 7.179 3.339 ( 2.488 0.431 -4.116) 4.828 3.571 ( -1.908 1.208 -2.796) 3.594 3.770 ( 1.372 -1.296 3.450) 3.932 3.970 ( 1.543 -1.741 1.639) 2.846 4.254 ( 1.572 8.813 -0.380) 8.960 4.333 ( -1.694 -6.133 -0.483) 6.381 4.529 ( -6.549 5.289 -1.225) 8.507 4.909 ( 0.142 6.800 -6.202) 9.205 5.344 ( 1.413 -1.427 0.125) 2.012 5.695 ( -0.328 4.755 5.441) 7.234 6.248 ( 3.116 -6.228 7.174) 9.998 10.330 ( 0.755 7.535 -0.000) 7.572 10.512 ( -0.818 4.121 0.093) 4.202 11.042 ( 1.178 -1.581 2.611) 3.272 11.591 ( -0.095 -0.959 0.894) 1.315 12.670 ( 2.656 -3.524 1.577) 4.686 13.230 ( -4.123 -5.360 -2.572) 7.235 21.172 ( -0.405 3.973 -1.834) 4.394 21.325 ( 1.577 2.908 2.093) 3.914 21.530 ( 5.857 2.619 6.599) 9.204 22.217 ( -3.413 -2.727 -13.419) 14.112 23.413 ( 1.489 -0.836 1.184) 2.077 23.476 ( -1.092 -1.609 -0.004) 1.945 ======================= Grid point 314 (158/225) ======================= q-point: (-0.45 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -6.782 -5.879 0.597) 8.995 1.867 ( -4.711 4.860 1.438) 6.920 1.936 ( -2.834 1.255 -2.280) 3.848 2.140 ( 5.592 -5.087 -2.631) 8.004 2.335 ( -0.645 -3.494 0.227) 3.560 2.950 ( -1.049 -0.671 -0.509) 1.345 3.015 ( 0.366 -1.214 0.113) 1.273 3.246 ( -9.725 5.015 -1.514) 11.046 3.539 ( -0.245 1.326 -0.765) 1.550 3.804 ( -0.320 -1.212 2.360) 2.672 3.989 ( 0.130 -2.842 2.106) 3.540 4.254 ( -2.598 1.042 -2.145) 3.527 4.339 ( 5.983 4.279 -0.099) 7.356 4.487 ( 1.346 2.705 0.813) 3.129 4.884 ( 0.951 6.925 -5.919) 9.160 5.377 ( 2.052 -1.390 -1.152) 2.733 5.722 ( 0.016 4.761 4.345) 6.446 6.356 ( 4.680 -7.371 2.259) 9.019 10.345 ( 0.718 8.650 -0.642) 8.703 10.505 ( 0.040 3.608 0.421) 3.632 11.067 ( -0.119 -1.631 1.734) 2.384 11.591 ( -0.479 -0.763 1.011) 1.354 12.714 ( 0.947 -4.258 0.094) 4.364 13.149 ( -2.872 -4.941 0.290) 5.723 21.130 ( -3.064 3.583 0.237) 4.721 21.368 ( 2.074 3.544 -0.106) 4.107 21.671 ( 3.922 2.212 6.793) 8.150 22.059 ( -4.532 -2.278 -12.897) 13.858 23.427 ( -1.295 -1.086 0.647) 1.810 23.462 ( 0.199 -1.649 0.498) 1.734 ======================= Grid point 315 (159/225) ======================= q-point: (-0.36 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -14.126 -5.257 3.890) 15.566 1.731 ( -11.855 0.630 2.120) 12.059 1.935 ( 2.889 8.047 -0.577) 8.570 2.285 ( 7.135 -2.308 -0.070) 7.500 2.391 ( 4.208 -3.912 3.072) 6.515 2.856 ( -6.777 -2.448 -2.982) 7.798 2.862 ( -15.281 4.509 -2.300) 16.097 3.051 ( -8.964 2.911 2.487) 9.748 3.527 ( -1.414 0.973 1.479) 2.266 3.774 ( -3.023 -0.719 -0.866) 3.225 4.011 ( 0.849 -2.458 0.868) 2.742 4.264 ( 4.054 6.706 0.171) 7.838 4.380 ( -0.625 -6.175 -2.255) 6.604 4.640 ( 11.239 6.076 5.645) 13.968 4.878 ( 2.209 7.353 -5.960) 9.719 5.409 ( 2.726 -0.971 -3.055) 4.209 5.750 ( 0.858 4.514 2.590) 5.274 6.438 ( 3.786 -6.282 -3.988) 8.348 10.348 ( 0.345 7.545 -1.462) 7.693 10.520 ( 1.016 2.917 0.804) 3.192 11.055 ( -1.740 -1.615 0.368) 2.403 11.578 ( -1.770 -1.317 0.668) 2.306 12.699 ( -1.504 -3.966 -2.652) 5.002 13.145 ( 0.866 -5.954 6.065) 8.543 21.065 ( -4.096 4.210 1.883) 6.168 21.397 ( 1.250 3.520 -1.811) 4.151 21.718 ( -1.827 4.617 -5.587) 7.475 21.916 ( -3.890 -1.960 -1.228) 4.526 23.392 ( -1.913 -1.018 0.863) 2.333 23.475 ( 0.371 -1.991 0.605) 2.113 ======================= Grid point 316 (160/225) ======================= q-point: (-0.27 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -10.251 -1.037 10.467) 14.687 1.514 ( -12.529 5.317 10.027) 16.905 2.001 ( 3.745 7.341 -0.189) 8.243 2.331 ( -4.354 -2.325 -3.032) 5.793 2.415 ( -4.643 2.988 -3.056) 6.310 2.483 ( -19.174 7.445 0.577) 20.577 2.789 ( 1.399 -2.891 4.152) 5.250 2.909 ( -6.309 1.459 4.085) 7.656 3.488 ( -3.886 -0.819 0.817) 4.055 3.696 ( -3.109 0.471 -2.715) 4.154 4.010 ( -0.818 -1.757 -3.736) 4.209 4.338 ( 1.821 2.466 -2.218) 3.784 4.412 ( 6.288 -3.771 4.000) 8.352 4.847 ( 2.646 8.713 3.131) 9.629 4.955 ( 11.580 3.868 -2.161) 12.399 5.466 ( 5.701 -0.207 -3.440) 6.662 5.795 ( 3.127 5.862 0.842) 6.697 6.444 ( 0.671 -3.318 -8.628) 9.268 10.348 ( 0.663 5.073 -1.456) 5.320 10.546 ( 1.013 1.804 0.544) 2.139 11.008 ( -2.798 -1.446 -0.558) 3.198 11.516 ( -5.130 -2.542 -0.103) 5.726 12.648 ( -1.209 -2.626 -2.739) 3.982 13.245 ( 4.146 -9.005 8.559) 13.097 21.003 ( -3.553 5.366 3.312) 7.237 21.360 ( -4.553 1.278 -7.961) 9.260 21.552 ( -4.870 10.432 -12.476) 16.976 21.881 ( -5.084 0.074 10.145) 11.348 23.392 ( 1.636 -0.752 1.888) 2.608 23.478 ( -0.491 -2.422 0.677) 2.562 ======================= Grid point 317 (161/225) ======================= q-point: (-0.18 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -9.507 9.157 9.089) 16.027 1.440 ( -5.105 6.904 21.825) 23.453 1.969 ( -16.688 5.745 4.614) 18.243 2.077 ( -7.303 3.301 -3.161) 8.616 2.215 ( -4.099 2.960 -11.696) 12.742 2.290 ( -8.459 8.175 4.770) 12.694 2.830 ( 0.384 -1.659 1.574) 2.319 2.946 ( 3.436 2.576 9.737) 10.642 3.386 ( -5.460 -3.456 -0.977) 6.535 3.646 ( -0.290 1.609 -2.911) 3.339 3.924 ( -4.180 -1.300 -6.566) 7.892 4.401 ( 4.869 -6.213 1.031) 7.961 4.564 ( 6.165 0.730 1.469) 6.379 4.881 ( 2.155 9.844 -2.243) 10.323 5.171 ( 8.844 2.421 1.989) 9.383 5.594 ( 8.626 0.786 -2.452) 9.002 5.896 ( 7.301 11.394 -0.744) 13.553 6.375 ( -1.753 -0.574 -7.146) 7.380 10.359 ( 1.202 2.409 -0.814) 2.813 10.560 ( 0.232 0.166 -0.015) 0.285 10.955 ( -1.824 -1.046 -0.657) 2.203 11.374 ( -8.932 -3.521 -0.628) 9.621 12.644 ( 2.072 -1.424 -0.645) 2.596 13.365 ( 2.586 -13.383 4.792) 14.449 20.984 ( -0.658 5.072 4.839) 7.041 21.103 ( -10.864 6.722 -12.916) 18.167 21.473 ( -0.573 11.418 -3.673) 12.007 21.800 ( -9.225 2.948 9.491) 13.560 23.457 ( -0.243 -2.330 0.512) 2.397 23.492 ( 5.069 -0.838 3.015) 5.957 ======================= Grid point 318 (162/225) ======================= q-point: (-0.09 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -4.475 14.304 12.630) 19.600 1.396 ( -14.670 10.470 15.058) 23.485 1.750 ( -3.548 5.172 3.272) 7.074 1.890 ( -6.975 6.244 -8.356) 12.548 2.102 ( -3.833 4.498 6.789) 9.001 2.278 ( 2.293 6.159 2.538) 7.045 2.855 ( 0.839 -2.220 1.544) 2.831 3.039 ( 1.777 4.554 2.699) 5.584 3.310 ( -3.455 -3.186 4.176) 6.287 3.636 ( 1.534 0.469 -5.271) 5.510 3.811 ( -3.377 -3.063 -3.168) 5.552 4.478 ( 1.548 -11.607 -2.631) 12.002 4.660 ( 3.939 4.691 0.769) 6.173 4.898 ( 1.015 9.408 -4.406) 10.438 5.304 ( 3.890 2.623 0.703) 4.744 5.725 ( 5.451 1.686 -2.412) 6.194 5.995 ( 1.682 17.584 -6.208) 18.724 6.398 ( 7.810 -1.141 2.385) 8.245 10.383 ( 1.474 0.249 -0.038) 1.496 10.554 ( -0.602 -1.330 -0.477) 1.536 10.943 ( 0.731 -0.615 -0.309) 1.004 11.194 ( -7.570 -3.412 -0.934) 8.356 12.722 ( 5.361 -1.207 1.819) 5.789 13.339 ( -7.205 -14.770 -1.192) 16.477 20.848 ( -6.751 0.114 -3.603) 7.653 21.128 ( 11.190 9.945 2.941) 15.256 21.445 ( -0.515 12.058 -1.548) 12.168 21.654 ( -9.764 8.017 5.876) 13.934 23.439 ( -1.109 -2.994 0.684) 3.265 23.635 ( 6.351 -0.149 1.973) 6.652 ======================= Grid point 319 (163/225) ======================= q-point: ( 0.00 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 0.262 11.506 11.792) 16.478 1.502 ( -7.728 16.148 11.777) 21.429 1.881 ( 4.848 6.862 -7.639) 11.355 1.965 ( -0.815 12.434 -11.246) 16.785 2.275 ( 2.313 1.634 -2.233) 3.606 2.531 ( 4.833 14.280 16.382) 22.263 2.861 ( -0.334 0.116 1.065) 1.122 3.108 ( 3.662 -2.498 0.358) 4.447 3.278 ( -3.434 4.962 1.782) 6.292 3.588 ( -1.655 -11.095 0.459) 11.227 3.659 ( 0.459 1.013 -0.350) 1.166 4.249 ( -2.862 -7.101 -4.107) 8.689 4.846 ( 1.095 6.887 0.585) 6.998 5.123 ( -0.101 13.755 -1.009) 13.792 5.397 ( 0.267 3.689 -2.239) 4.323 5.835 ( 0.269 4.147 -1.649) 4.471 6.203 ( -5.897 10.954 0.519) 12.451 6.522 ( 2.963 -2.759 -3.139) 5.123 10.394 ( 0.830 -0.788 -0.740) 1.362 10.498 ( -0.044 -2.116 -0.970) 2.328 10.904 ( -3.908 -1.756 1.364) 4.497 11.066 ( 5.505 -5.390 -4.280) 8.814 12.794 ( 0.986 -2.896 2.205) 3.771 12.916 ( -4.577 -9.766 4.298) 11.610 20.739 ( -1.888 0.290 -1.472) 2.412 21.227 ( 0.917 -4.985 0.690) 5.115 21.839 ( -2.812 18.422 0.428) 18.641 21.953 ( 10.676 19.617 -7.321) 23.503 23.354 ( 0.124 -4.540 0.741) 4.602 23.704 ( 0.874 -2.140 1.423) 2.715 ======================= Grid point 320 (164/225) ======================= q-point: ( 0.09 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 3.383 11.757 11.768) 16.975 1.601 ( 6.820 8.786 11.260) 15.827 1.855 ( -0.527 11.004 -8.497) 13.913 2.041 ( 12.420 10.934 -8.486) 18.596 2.233 ( -3.327 -0.633 -3.171) 4.639 2.784 ( 11.248 8.613 5.871) 15.335 2.841 ( -1.758 0.080 4.388) 4.727 3.128 ( -6.590 7.576 -6.453) 11.936 3.260 ( 6.995 -2.417 4.635) 8.733 3.597 ( 1.359 -7.759 1.146) 7.960 3.681 ( 0.131 0.871 1.426) 1.676 4.147 ( -4.810 -7.747 -1.634) 9.264 4.818 ( -3.617 7.213 -0.741) 8.103 5.131 ( 1.268 14.570 -1.172) 14.672 5.355 ( -3.304 3.202 -0.698) 4.654 5.766 ( -6.116 3.842 -1.673) 7.414 6.085 ( -7.941 10.732 4.938) 14.235 6.443 ( -7.536 -3.429 -3.878) 9.143 10.404 ( 0.601 -0.430 -1.285) 1.482 10.513 ( 2.129 -0.828 -0.613) 2.365 10.851 ( -1.839 -1.963 1.644) 3.153 11.191 ( 9.044 -6.929 -5.086) 12.477 12.685 ( -8.229 -2.266 2.919) 9.021 13.008 ( 5.993 -7.774 4.466) 10.784 20.756 ( 3.710 0.494 0.760) 3.819 21.239 ( 0.704 -1.814 -1.005) 2.190 21.774 ( -3.671 18.934 -0.870) 19.306 22.131 ( 11.876 10.810 -9.837) 18.832 23.376 ( 1.590 -4.309 0.421) 4.612 23.663 ( -5.248 -2.050 0.294) 5.642 ======================= Grid point 321 (165/225) ======================= q-point: ( 0.18 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 7.654 8.001 7.177) 13.195 1.799 ( 5.303 7.934 -3.611) 10.204 1.857 ( 7.792 7.470 8.228) 13.573 2.149 ( -2.852 0.597 -2.108) 3.596 2.262 ( 14.172 8.875 -8.105) 18.582 2.780 ( -4.499 -3.378 -0.037) 5.626 2.954 ( -1.916 4.868 -11.027) 12.206 3.075 ( 10.897 5.739 4.964) 13.278 3.400 ( 0.746 -4.678 1.703) 5.034 3.599 ( 1.362 4.375 1.311) 4.766 3.724 ( 3.873 -2.134 0.880) 4.509 4.074 ( -3.131 -10.332 3.797) 11.444 4.720 ( -5.341 8.718 -1.381) 10.316 5.133 ( -0.405 15.293 -3.267) 15.643 5.270 ( -5.554 2.256 1.586) 6.201 5.599 ( -9.294 2.390 -1.768) 9.758 5.947 ( -9.689 7.707 5.977) 13.748 6.255 ( -8.642 -1.579 -0.530) 8.801 10.405 ( 0.512 1.613 -1.286) 2.126 10.563 ( 2.877 1.633 -0.245) 3.317 10.853 ( 0.874 -2.284 1.767) 3.017 11.333 ( 8.071 -7.719 -3.975) 11.855 12.575 ( -4.598 0.053 2.775) 5.371 13.131 ( 3.753 -9.782 3.043) 10.910 20.883 ( 7.908 1.586 2.865) 8.559 21.251 ( 1.814 2.249 -2.622) 3.902 21.690 ( -4.413 16.767 -0.598) 17.349 22.273 ( 8.858 3.331 -11.211) 14.671 23.408 ( 0.965 -3.268 0.393) 3.430 23.534 ( -6.836 -2.185 -0.290) 7.182 ======================= Grid point 322 (166/225) ======================= q-point: ( 0.27 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -1.250 8.939 -6.302) 11.008 1.945 ( 4.951 3.810 3.665) 7.243 2.092 ( 5.494 3.335 3.439) 7.289 2.154 ( 8.095 2.470 2.907) 8.948 2.435 ( 6.290 6.186 -8.968) 12.580 2.685 ( -1.712 -2.025 0.874) 2.792 2.890 ( -1.167 0.741 -6.573) 6.717 3.239 ( 1.313 -0.005 -7.802) 7.912 3.360 ( 4.792 -5.029 1.592) 7.127 3.734 ( 6.870 5.030 5.336) 10.048 3.796 ( 2.236 0.851 0.880) 2.549 4.068 ( -0.088 -12.297 4.353) 13.045 4.610 ( -4.928 11.378 -1.149) 12.452 5.044 ( -7.517 9.112 -2.384) 12.051 5.182 ( -3.011 7.601 -1.098) 8.249 5.417 ( -7.531 0.138 -1.657) 7.712 5.808 ( -7.028 4.242 5.540) 9.903 6.135 ( -5.367 -0.649 5.089) 7.425 10.417 ( 1.385 4.444 -0.403) 4.673 10.611 ( 2.095 4.660 -0.293) 5.118 10.897 ( 2.150 -2.468 2.228) 3.959 11.450 ( 5.551 -6.325 -1.647) 8.575 12.537 ( -0.961 -0.435 1.808) 2.094 13.180 ( 0.280 -10.692 0.246) 10.699 21.078 ( 9.219 2.569 4.924) 10.763 21.277 ( 2.592 4.686 -3.766) 6.547 21.603 ( -4.298 12.986 0.750) 13.699 22.326 ( 3.372 -1.796 -11.692) 12.301 23.388 ( -3.069 -0.731 1.169) 3.364 23.456 ( -0.483 -3.493 -0.890) 3.637 ======================= Grid point 323 (167/225) ======================= q-point: ( 0.36 0.22 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -1.228 3.018 -5.126) 6.074 1.990 ( 0.674 4.651 -0.298) 4.709 2.136 ( 0.063 3.352 -3.778) 5.051 2.266 ( -5.381 -2.482 -0.576) 5.954 2.457 ( 4.212 2.789 -1.820) 5.369 2.774 ( -2.355 -5.059 -5.140) 7.587 2.788 ( 6.969 1.193 1.465) 7.221 3.255 ( 6.339 -0.801 -5.210) 8.244 3.498 ( 4.964 -3.376 3.076) 6.745 3.803 ( -0.353 3.933 -0.982) 4.069 3.875 ( 3.513 -1.156 3.814) 5.313 4.113 ( 2.164 -10.520 1.889) 10.905 4.527 ( -2.661 13.675 -0.824) 13.956 4.846 ( -10.355 6.223 -1.819) 12.218 5.127 ( -1.487 9.923 -3.870) 10.754 5.311 ( -2.412 -1.752 -0.564) 3.034 5.763 ( -1.452 3.470 6.281) 7.321 6.091 ( -3.255 -3.214 7.545) 8.823 10.455 ( 2.428 7.317 0.627) 7.735 10.637 ( 0.849 7.230 -0.710) 7.314 10.954 ( 2.011 -2.330 2.801) 4.162 11.528 ( 2.868 -3.601 0.288) 4.612 12.549 ( 1.115 -2.764 0.926) 3.121 13.152 ( -2.194 -10.290 -2.176) 10.744 21.271 ( 6.023 4.812 4.633) 8.994 21.299 ( 2.490 4.093 -3.064) 5.687 21.550 ( -1.435 8.650 2.628) 9.153 22.267 ( -1.853 -4.584 -11.621) 12.629 23.367 ( 0.314 -0.748 0.963) 1.260 23.449 ( -0.323 -2.745 -0.444) 2.800 ======================= Grid point 324 (168/225) ======================= q-point: ( 0.45 0.22 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 1.888 -5.079 -1.837) 5.722 2.007 ( 1.065 5.940 0.794) 6.087 2.046 ( -4.855 -2.523 -7.143) 8.997 2.089 ( -9.992 -4.458 -0.543) 10.955 2.385 ( -5.125 0.416 -7.999) 9.509 2.843 ( 7.055 -3.960 2.001) 8.334 2.937 ( 5.320 1.158 1.548) 5.660 3.357 ( 4.620 1.272 -1.653) 5.069 3.570 ( 0.839 -1.156 1.915) 2.389 3.782 ( -1.144 2.222 1.143) 2.748 3.923 ( -0.030 -3.518 2.064) 4.079 4.143 ( 0.623 -9.300 -2.151) 9.566 4.502 ( 0.374 13.015 -0.637) 13.036 4.668 ( -5.706 8.536 -1.413) 10.365 5.080 ( -0.747 9.378 -4.195) 10.300 5.304 ( 1.294 -2.531 -0.157) 2.847 5.799 ( 0.617 5.081 5.739) 7.690 6.100 ( 0.067 -7.694 6.813) 10.277 10.513 ( 2.762 9.573 1.192) 10.034 10.634 ( -0.582 8.556 -1.390) 8.687 11.003 ( 1.115 -2.140 2.859) 3.741 11.566 ( 0.817 -1.499 1.014) 1.986 12.581 ( 1.502 -5.087 0.518) 5.329 13.082 ( -3.212 -9.374 -2.603) 10.246 21.274 ( -1.406 6.007 -2.073) 6.508 21.401 ( 3.217 4.571 2.750) 6.229 21.600 ( 3.841 4.227 5.036) 7.615 22.139 ( -3.671 -5.074 -11.544) 13.133 23.391 ( 1.140 -1.252 0.804) 1.875 23.435 ( -0.892 -2.318 -0.161) 2.489 ======================= Grid point 325 (169/225) ======================= q-point: (-0.45 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -6.994 -8.939 -1.555) 11.456 1.894 ( -9.314 -2.112 2.084) 9.775 1.964 ( 3.450 -6.176 -1.812) 7.303 2.089 ( 5.751 4.839 1.759) 7.719 2.281 ( -1.269 0.235 -4.419) 4.604 2.915 ( -1.344 -3.139 -1.211) 3.623 2.998 ( 0.661 0.010 -0.551) 0.861 3.348 ( -6.007 4.648 -1.095) 7.673 3.569 ( -0.974 1.468 1.027) 2.039 3.788 ( -0.406 -0.260 3.510) 3.543 3.923 ( -0.434 -3.922 2.506) 4.675 4.127 ( 0.254 -9.991 -3.600) 10.623 4.520 ( 1.766 11.860 -1.552) 12.090 4.636 ( 2.892 10.462 0.415) 10.862 5.053 ( 0.503 9.187 -3.511) 9.848 5.340 ( 2.634 -2.292 -1.573) 3.829 5.831 ( -0.400 5.735 4.218) 7.130 6.178 ( 4.394 -9.701 3.551) 11.226 10.565 ( 1.575 11.958 0.250) 12.064 10.602 ( -1.446 6.749 -1.365) 7.035 11.027 ( -0.242 -2.070 2.034) 2.912 11.573 ( -0.725 -1.049 0.864) 1.541 12.605 ( 0.650 -6.286 -0.270) 6.326 13.012 ( -2.730 -8.737 -0.080) 9.153 21.224 ( -3.026 5.682 0.412) 6.451 21.460 ( 2.450 5.497 -0.268) 6.024 21.723 ( 4.614 2.628 6.240) 8.193 21.997 ( -3.694 -3.839 -11.833) 12.977 23.399 ( -1.464 -1.617 0.542) 2.248 23.421 ( 0.026 -2.376 0.370) 2.405 ======================= Grid point 326 (170/225) ======================= q-point: (-0.36 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -8.711 -3.520 3.620) 10.068 1.736 ( -9.445 -0.153 5.935) 11.156 2.077 ( 5.299 2.720 0.102) 5.957 2.235 ( 4.839 -3.195 -0.267) 5.805 2.328 ( 9.015 0.963 5.235) 10.470 2.793 ( -8.171 -3.408 -5.005) 10.170 2.933 ( -6.693 2.355 -3.502) 7.912 3.142 ( -12.502 5.780 -0.464) 13.782 3.544 ( -3.103 0.562 1.929) 3.697 3.767 ( -2.718 0.251 1.065) 2.930 3.963 ( 1.796 -2.696 3.788) 4.984 4.118 ( 0.221 -12.608 -2.451) 12.846 4.547 ( 2.708 14.296 -2.387) 14.744 4.776 ( 9.619 7.405 2.864) 12.473 5.060 ( 2.214 9.961 -3.038) 10.646 5.386 ( 3.803 -1.156 -3.414) 5.239 5.850 ( 0.789 5.031 2.452) 5.652 6.289 ( 5.603 -7.872 -0.853) 9.700 10.535 ( -2.112 9.901 -3.408) 10.682 10.603 ( 0.206 6.035 1.106) 6.139 11.016 ( -1.745 -2.061 0.710) 2.792 11.542 ( -3.061 -2.277 0.083) 3.816 12.599 ( -0.442 -5.633 -1.647) 5.885 12.991 ( -0.679 -9.322 4.659) 10.443 21.164 ( -4.048 5.470 2.607) 7.288 21.487 ( 0.652 4.988 -3.269) 6.000 21.832 ( 3.321 6.100 -3.024) 7.575 21.868 ( -2.609 -2.321 -2.538) 4.317 23.365 ( -1.758 -1.574 0.998) 2.562 23.425 ( -0.246 -2.957 0.632) 3.034 ======================= Grid point 327 (171/225) ======================= q-point: (-0.27 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -1.546 5.812 12.039) 13.457 1.602 ( -9.118 3.999 11.670) 15.340 2.138 ( 1.527 3.863 -1.023) 4.279 2.284 ( -0.354 -0.719 -0.705) 1.068 2.512 ( -2.225 6.829 -7.764) 10.576 2.607 ( -5.900 0.260 3.353) 6.791 2.747 ( -3.986 2.536 3.220) 5.717 2.944 ( -6.724 1.871 0.596) 7.005 3.451 ( -6.909 -2.760 -0.907) 7.495 3.725 ( -2.411 2.249 1.846) 3.779 3.986 ( -0.981 -0.941 -3.442) 3.700 4.115 ( 1.023 -14.026 2.430) 14.271 4.611 ( 4.848 13.281 -1.353) 14.202 4.998 ( 9.193 5.102 5.709) 11.964 5.103 ( 4.757 11.498 -4.531) 13.243 5.465 ( 7.055 0.209 -3.647) 7.944 5.913 ( 5.208 5.338 1.183) 7.551 6.367 ( 3.790 -4.060 -4.712) 7.284 10.473 ( -1.971 6.885 -3.512) 7.976 10.599 ( -1.174 3.642 0.483) 3.857 10.973 ( -2.452 -1.778 -0.338) 3.047 11.445 ( -6.696 -4.524 -1.044) 8.148 12.585 ( 0.383 -3.422 -1.376) 3.708 13.033 ( 0.703 -11.551 7.576) 13.832 21.099 ( -4.743 4.097 4.043) 7.458 21.408 ( -5.263 2.281 -8.830) 10.529 21.785 ( 2.486 11.574 -11.004) 16.163 21.913 ( -0.831 4.358 8.262) 9.378 23.369 ( 1.749 -1.542 2.257) 3.245 23.416 ( -1.110 -3.659 0.821) 3.911 ======================= Grid point 328 (172/225) ======================= q-point: (-0.18 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -4.653 10.916 9.671) 15.308 1.601 ( 0.406 9.663 20.619) 22.775 2.110 ( -6.606 -0.503 -3.336) 7.417 2.151 ( -9.471 11.115 -0.939) 14.633 2.276 ( -6.830 4.351 -11.144) 13.776 2.502 ( -5.287 12.037 4.595) 13.927 2.814 ( 1.076 -0.192 -1.477) 1.837 2.982 ( 6.560 0.660 12.352) 14.002 3.290 ( -7.345 -5.810 -2.564) 9.710 3.681 ( -3.057 0.742 0.487) 3.183 3.887 ( -5.086 -2.640 -6.523) 8.682 4.198 ( 4.744 -9.541 2.765) 11.008 4.702 ( 4.725 9.400 -0.553) 10.535 5.116 ( 1.705 12.675 1.280) 12.853 5.234 ( 8.855 4.459 -1.141) 9.980 5.618 ( 9.859 1.660 -2.513) 10.309 6.084 ( 11.874 6.179 0.973) 13.421 6.374 ( 0.287 0.693 -6.054) 6.100 10.421 ( -1.303 3.695 -2.782) 4.805 10.566 ( -2.182 0.409 -0.079) 2.221 10.931 ( -1.174 -1.206 -0.867) 1.893 11.278 ( -9.183 -5.918 -1.424) 11.017 12.610 ( 2.745 -1.734 0.098) 3.248 13.079 ( -1.257 -14.134 6.849) 15.756 21.011 ( -6.921 0.604 0.834) 6.997 21.238 ( -4.624 3.155 -6.614) 8.665 21.796 ( 3.783 19.091 -8.130) 21.092 21.913 ( -3.297 8.869 6.638) 11.558 23.391 ( -1.780 -4.039 0.893) 4.504 23.468 ( 6.159 -1.849 3.427) 7.287 ======================= Grid point 329 (173/225) ======================= q-point: (-0.09 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -3.658 11.780 12.173) 17.330 1.664 ( -10.116 15.406 12.105) 22.050 1.886 ( -3.889 7.010 -4.417) 9.152 2.067 ( -1.773 10.692 -7.789) 13.347 2.180 ( 2.081 3.947 0.731) 4.522 2.459 ( -3.042 12.008 8.198) 14.855 2.836 ( 1.794 0.132 -0.077) 1.801 3.103 ( -0.999 0.292 -0.642) 1.223 3.237 ( 1.727 -2.809 10.014) 10.543 3.623 ( -2.064 -4.352 -1.264) 4.980 3.739 ( -5.567 -1.808 -5.813) 8.250 4.278 ( 1.981 -7.888 -1.447) 8.261 4.786 ( 3.980 7.497 0.480) 8.502 5.134 ( 0.184 13.568 -0.911) 13.600 5.361 ( 4.666 3.554 -1.490) 6.052 5.775 ( 6.746 3.243 -1.906) 7.724 6.299 ( -0.406 10.799 -5.668) 12.203 6.366 ( 10.560 -1.656 1.313) 10.770 10.393 ( -0.246 0.796 -1.444) 1.667 10.522 ( -1.824 -1.798 -0.596) 2.630 10.926 ( 1.011 -1.046 -0.887) 1.704 11.102 ( -6.972 -5.659 -1.427) 9.092 12.692 ( 4.964 -1.695 1.605) 5.485 13.039 ( -6.555 -13.948 4.391) 16.025 20.846 ( -7.207 0.463 -3.590) 8.065 21.197 ( 0.884 -1.577 0.763) 1.962 21.835 ( 5.329 23.330 -6.429) 24.780 21.882 ( -2.741 14.108 3.416) 14.772 23.363 ( -1.463 -4.399 0.921) 4.727 23.617 ( 6.136 -2.027 2.922) 7.092 ======================= Grid point 330 (174/225) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 1.642 10.388 9.900) 14.444 1.819 ( -9.213 15.864 7.716) 19.902 1.969 ( 2.222 1.215 -3.638) 4.433 2.167 ( 2.118 8.266 -6.995) 11.034 2.360 ( 0.424 6.682 -6.458) 9.302 2.760 ( 3.427 5.633 2.347) 6.999 2.850 ( -2.018 -2.025 1.477) 3.218 3.091 ( 6.853 4.902 9.668) 12.825 3.337 ( -2.767 -11.755 0.750) 12.099 3.397 ( 2.006 2.992 5.086) 6.233 3.695 ( -1.561 3.237 -2.254) 4.242 4.118 ( -3.098 -6.718 -4.064) 8.441 4.996 ( 0.663 8.300 0.512) 8.342 5.306 ( -0.652 2.602 1.691) 3.171 5.559 ( 0.855 14.195 -3.415) 14.625 5.916 ( 0.392 3.716 -1.263) 3.945 6.312 ( -4.166 0.404 2.555) 4.904 6.457 ( 0.197 -3.924 -3.242) 5.093 10.384 ( 0.286 -0.055 -1.138) 1.174 10.459 ( 0.432 -1.834 -1.079) 2.171 10.864 ( -3.579 -1.917 0.285) 4.070 10.961 ( 4.271 -4.912 -4.185) 7.739 12.736 ( -2.401 -2.743 2.525) 4.435 12.771 ( 1.388 -4.946 3.403) 6.162 20.779 ( -1.558 3.584 -1.255) 4.105 21.115 ( 0.960 -6.210 0.586) 6.311 22.181 ( -0.125 15.576 -0.785) 15.596 22.312 ( 4.600 15.747 -7.044) 17.853 23.277 ( 0.029 -2.476 1.282) 2.788 23.623 ( 0.522 -6.232 2.415) 6.704 ======================= Grid point 331 (175/225) ======================= q-point: ( 0.09 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 2.790 12.984 6.803) 14.921 1.772 ( 0.969 9.531 10.344) 14.099 1.987 ( 2.132 2.808 -4.363) 5.609 2.205 ( 2.256 2.744 -3.066) 4.692 2.319 ( 2.697 10.414 -6.187) 12.410 2.766 ( -1.767 -4.403 -1.159) 4.884 2.929 ( 7.710 2.258 1.191) 8.122 3.256 ( -7.580 2.467 -1.541) 8.119 3.295 ( 5.558 5.954 10.150) 13.014 3.436 ( 6.032 -5.064 -3.435) 8.593 3.697 ( -0.233 0.809 1.741) 1.934 4.013 ( -5.040 -6.555 -1.088) 8.340 4.972 ( -2.912 8.380 -0.324) 8.878 5.308 ( -0.594 1.090 1.988) 2.344 5.520 ( -2.680 14.908 -3.289) 15.500 5.845 ( -6.583 3.849 -1.397) 7.752 6.206 ( -8.998 1.266 5.192) 10.465 6.374 ( -6.275 -3.545 -1.855) 7.442 10.403 ( 2.028 0.451 -1.096) 2.349 10.494 ( 3.883 -1.229 -1.271) 4.267 10.820 ( -1.246 -0.752 0.982) 1.756 11.047 ( 6.768 -7.291 -4.031) 10.734 12.659 ( -4.786 -0.115 2.578) 5.437 12.864 ( 4.141 -6.666 2.196) 8.149 20.806 ( 4.435 4.329 0.602) 6.226 21.164 ( 3.843 -5.360 -0.687) 6.631 22.139 ( -3.811 16.992 -0.954) 17.440 22.346 ( 3.527 10.121 -8.046) 13.403 23.301 ( 1.697 -2.539 0.862) 3.174 23.588 ( -4.916 -5.682 1.247) 7.616 ======================= Grid point 332 (176/225) ======================= q-point: ( 0.18 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 5.094 10.173 8.762) 14.360 1.919 ( 7.480 5.182 1.280) 9.189 2.009 ( 2.871 5.688 -1.647) 6.581 2.173 ( -1.873 1.859 0.316) 2.658 2.446 ( 10.740 8.964 -5.211) 14.928 2.715 ( -4.056 -3.388 0.705) 5.331 3.032 ( -3.867 2.461 -6.932) 8.310 3.134 ( 5.336 0.944 0.342) 5.430 3.341 ( -4.138 -1.263 -1.960) 4.750 3.585 ( 7.557 -9.635 -3.130) 12.639 3.707 ( 3.258 5.041 3.793) 7.099 3.951 ( -3.011 -3.010 6.098) 7.437 4.899 ( -3.836 9.298 -0.654) 10.079 5.278 ( -4.360 -1.460 1.302) 4.778 5.430 ( -4.017 13.894 -2.964) 14.764 5.663 ( -10.444 3.768 -1.842) 11.255 6.032 ( -11.433 1.603 5.463) 12.772 6.238 ( -7.102 -0.835 2.415) 7.548 10.445 ( 2.910 2.527 -0.772) 3.930 10.587 ( 6.073 0.267 -1.316) 6.219 10.826 ( 0.819 0.152 1.850) 2.028 11.168 ( 7.719 -8.721 -2.898) 12.001 12.594 ( -3.273 2.019 1.568) 4.153 12.939 ( 2.378 -9.351 0.929) 9.693 20.946 ( 8.570 4.586 2.367) 10.004 21.246 ( 5.080 -2.542 -1.489) 5.872 22.025 ( -7.134 16.207 -0.770) 17.724 22.348 ( 1.569 3.685 -8.854) 9.718 23.343 ( 1.967 -2.710 0.386) 3.371 23.474 ( -6.400 -4.010 0.461) 7.567 ======================= Grid point 333 (177/225) ======================= q-point: ( 0.27 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -3.277 9.327 -6.072) 11.602 2.051 ( 3.860 6.343 1.530) 7.581 2.144 ( 6.328 2.209 3.027) 7.354 2.202 ( 6.549 2.306 2.459) 7.366 2.517 ( -5.833 0.748 -5.974) 8.382 2.680 ( 5.268 1.238 1.829) 5.712 2.877 ( -7.449 -1.146 -6.196) 9.757 3.193 ( -1.509 -4.227 -7.490) 8.732 3.307 ( 8.074 0.196 0.652) 8.102 3.677 ( 4.256 -11.256 -0.220) 12.036 3.855 ( 5.965 4.956 3.195) 8.387 3.943 ( -1.226 -0.177 5.671) 5.805 4.830 ( -2.819 10.495 -0.236) 10.870 5.143 ( -9.119 1.404 -0.676) 9.251 5.340 ( -4.309 6.252 -0.916) 7.648 5.450 ( -8.915 3.300 -3.232) 10.041 5.872 ( -7.757 3.481 6.210) 10.529 6.133 ( -6.288 -0.370 5.483) 8.352 10.508 ( 3.715 4.701 0.146) 5.994 10.698 ( 5.814 2.666 -1.438) 6.556 10.869 ( 2.100 1.063 2.751) 3.620 11.307 ( 7.506 -8.079 -0.920) 11.066 12.548 ( -2.063 1.932 0.372) 2.851 12.962 ( 0.060 -10.982 -0.984) 11.026 21.146 ( 9.614 4.209 3.632) 11.105 21.334 ( 4.697 0.851 -1.894) 5.136 21.869 ( -8.131 13.270 -0.155) 15.564 22.289 ( -2.215 -2.148 -9.086) 9.596 23.365 ( -1.336 -1.476 0.794) 2.143 23.390 ( -0.511 -3.027 -0.650) 3.138 ======================= Grid point 334 (178/225) ======================= q-point: ( 0.36 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -7.922 6.492 -7.291) 12.573 2.074 ( 0.358 3.713 -4.118) 5.556 2.174 ( -3.702 -1.415 -3.037) 4.993 2.236 ( -9.878 0.690 -2.708) 10.266 2.480 ( 6.365 -0.683 1.377) 6.548 2.626 ( -4.790 -8.923 -4.786) 11.201 2.866 ( 7.611 6.774 0.433) 10.198 3.239 ( 7.304 -1.189 -2.544) 7.826 3.455 ( 5.391 -0.833 3.349) 6.401 3.747 ( 2.305 -10.157 1.429) 10.512 3.889 ( -1.292 3.570 0.059) 3.797 4.002 ( 2.700 -1.271 1.079) 3.173 4.785 ( -2.055 11.903 0.329) 12.083 4.958 ( -8.137 5.133 -1.267) 9.704 5.255 ( -3.902 0.037 1.317) 4.118 5.306 ( -3.573 2.842 -4.359) 6.312 5.819 ( -1.865 3.390 6.986) 7.986 6.053 ( -5.498 -1.177 6.044) 8.255 10.587 ( 3.919 5.933 1.020) 7.183 10.783 ( 3.724 4.856 -1.723) 6.357 10.934 ( 2.488 2.685 3.427) 5.015 11.438 ( 5.647 -5.762 0.776) 8.104 12.517 ( -1.142 0.062 -0.555) 1.271 12.934 ( -1.681 -11.459 -2.496) 11.847 21.342 ( 7.836 3.509 3.389) 9.230 21.396 ( 2.717 3.952 -1.855) 5.142 21.730 ( -5.753 9.271 1.153) 10.972 22.163 ( -4.657 -5.815 -8.795) 11.526 23.352 ( 0.313 -0.701 0.368) 0.851 23.396 ( 0.360 -2.445 -0.495) 2.520 ======================= Grid point 335 (179/225) ======================= q-point: ( 0.45 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -5.672 -1.608 -4.372) 7.339 1.923 ( -13.967 -9.214 -3.740) 17.145 2.031 ( -4.494 -0.856 -5.100) 6.852 2.081 ( -1.199 0.398 -6.733) 6.851 2.444 ( -2.339 5.059 -2.152) 5.975 2.749 ( 7.749 -5.328 2.422) 9.711 2.994 ( 4.673 5.289 -0.051) 7.058 3.371 ( 5.644 -0.538 0.432) 5.686 3.552 ( 2.151 -0.287 4.449) 4.950 3.771 ( -0.876 -6.897 1.327) 7.078 3.864 ( -0.717 1.081 -0.359) 1.346 4.009 ( -0.995 -4.240 -3.535) 5.609 4.748 ( -1.440 11.517 -0.046) 11.607 4.852 ( -2.023 9.756 -0.312) 9.968 5.209 ( -2.102 0.799 0.647) 2.340 5.258 ( 1.238 -0.567 -3.144) 3.426 5.870 ( 2.413 2.069 6.493) 7.229 5.994 ( -3.803 -2.453 5.192) 6.887 10.662 ( 2.766 5.846 1.300) 6.597 10.819 ( 1.198 6.337 -2.180) 6.808 10.997 ( 1.645 4.527 3.360) 5.872 11.524 ( 2.401 -3.344 1.278) 4.311 12.499 ( -0.252 -2.407 -0.798) 2.549 12.876 ( -2.490 -11.172 -2.522) 11.721 21.395 ( -0.896 6.012 -2.206) 6.467 21.489 ( 4.544 3.884 2.768) 6.588 21.687 ( 0.441 4.553 2.800) 5.363 22.024 ( -3.985 -6.478 -8.533) 11.430 23.368 ( 0.743 -1.032 0.313) 1.310 23.392 ( -0.562 -1.943 -0.282) 2.042 ======================= Grid point 336 (180/225) ======================= q-point: (-0.45 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -4.611 -5.246 -0.806) 7.031 1.731 ( -3.517 -11.236 3.585) 12.308 1.917 ( -1.240 0.271 -3.394) 3.624 2.087 ( 3.353 -3.784 -4.363) 6.678 2.412 ( -0.320 9.761 0.638) 9.787 2.827 ( -0.664 -5.600 -1.205) 5.766 3.036 ( 0.263 4.366 -2.023) 4.819 3.410 ( -3.043 1.075 -0.507) 3.267 3.590 ( -0.794 0.754 3.454) 3.623 3.759 ( -0.838 -5.148 3.756) 6.427 3.848 ( -1.180 -1.637 0.211) 2.029 3.960 ( -0.456 -5.730 -4.379) 7.226 4.758 ( 2.805 11.627 -0.449) 11.969 4.851 ( 1.579 10.834 -0.207) 10.950 5.184 ( -0.283 2.380 -0.160) 2.402 5.298 ( 4.205 -1.594 -3.069) 5.445 5.926 ( -1.020 3.507 3.469) 5.037 6.020 ( 4.622 -5.278 4.748) 8.471 10.696 ( -0.114 4.871 0.454) 4.893 10.809 ( -0.578 7.429 -2.409) 7.831 11.028 ( -0.395 4.869 2.226) 5.368 11.542 ( -1.182 -2.670 0.656) 2.992 12.496 ( 0.399 -3.809 -0.650) 3.885 12.819 ( -2.180 -10.520 -0.403) 10.751 21.345 ( -3.208 6.527 0.206) 7.275 21.562 ( 2.346 3.990 -0.496) 4.655 21.760 ( 3.687 1.111 4.531) 5.946 21.920 ( -0.672 -3.644 -9.101) 9.826 23.368 ( -1.601 -1.425 0.311) 2.166 23.377 ( -0.237 -1.869 0.296) 1.907 ======================= Grid point 337 (181/225) ======================= q-point: (-0.36 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -0.168 1.907 6.153) 6.443 1.717 ( -4.489 -2.208 9.139) 10.418 2.029 ( 11.052 -4.525 2.806) 12.267 2.130 ( 3.140 -6.196 -1.060) 7.027 2.455 ( 3.413 7.822 3.153) 9.098 2.735 ( -5.002 -2.710 -6.434) 8.588 2.980 ( -3.953 3.855 -4.147) 6.905 3.246 ( -11.578 4.039 -2.279) 12.473 3.548 ( -5.412 -0.139 1.141) 5.533 3.759 ( -2.093 -4.953 3.341) 6.331 3.850 ( 0.783 -5.284 2.134) 5.752 3.956 ( 1.595 -2.946 -1.063) 3.515 4.823 ( 3.157 12.696 -1.468) 13.165 4.918 ( 5.820 6.800 0.773) 8.984 5.212 ( 3.692 4.471 -0.170) 5.801 5.373 ( 5.754 -0.113 -4.376) 7.230 5.934 ( 1.039 3.690 1.595) 4.152 6.161 ( 6.794 -4.849 2.151) 8.620 10.663 ( -2.693 4.495 -1.542) 5.462 10.767 ( -2.682 6.692 -1.798) 7.430 11.009 ( -2.147 3.386 0.535) 4.045 11.482 ( -5.024 -4.162 -0.783) 6.571 12.506 ( 0.975 -3.108 -0.391) 3.280 12.797 ( -0.867 -10.038 3.176) 10.564 21.274 ( -5.008 5.742 2.285) 7.954 21.550 ( -2.981 0.319 -3.854) 4.883 21.848 ( 3.544 1.403 2.441) 4.527 21.938 ( 7.248 3.719 -6.214) 10.246 23.335 ( -1.771 -1.362 0.976) 2.438 23.369 ( -0.993 -2.522 0.705) 2.801 ======================= Grid point 338 (182/225) ======================= q-point: (-0.27 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 6.028 9.904 12.006) 16.690 1.679 ( -4.982 3.844 12.750) 14.219 2.105 ( -1.214 -4.346 0.815) 4.585 2.329 ( 9.447 0.744 3.357) 10.054 2.499 ( -3.555 -4.446 0.552) 5.719 2.666 ( 5.802 5.821 -4.608) 9.423 2.853 ( -5.618 5.197 -4.381) 8.818 2.996 ( -11.288 4.095 -0.480) 12.018 3.398 ( -9.397 -2.260 -1.465) 9.775 3.706 ( -5.201 -8.545 1.622) 10.134 3.892 ( 1.949 -2.168 0.597) 2.976 3.994 ( 2.129 -0.477 2.288) 3.162 4.856 ( 1.826 10.969 -1.648) 11.242 5.072 ( 7.987 2.519 2.884) 8.858 5.322 ( 7.157 9.325 -0.985) 11.797 5.477 ( 8.295 1.051 -4.466) 9.480 6.000 ( 5.388 4.080 0.421) 6.772 6.293 ( 6.065 -3.681 -0.726) 7.132 10.586 ( -3.599 4.368 -3.171) 6.488 10.682 ( -4.987 3.803 -0.962) 6.345 10.961 ( -2.372 1.540 -0.854) 2.954 11.340 ( -8.321 -6.139 -2.241) 10.580 12.534 ( 1.961 -1.288 0.432) 2.386 12.817 ( -0.150 -10.084 5.699) 11.584 21.174 ( -6.902 3.884 2.808) 8.402 21.411 ( -7.572 -2.026 -5.219) 9.417 21.961 ( 6.956 7.595 0.397) 10.307 22.059 ( 7.473 7.839 -4.661) 11.791 23.330 ( 0.476 -2.341 2.270) 3.296 23.350 ( -1.156 -2.737 1.109) 3.172 ======================= Grid point 339 (183/225) ======================= q-point: (-0.18 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -4.491 8.318 9.561) 13.445 1.815 ( 6.563 10.346 15.518) 19.772 2.068 ( -3.071 -1.837 1.787) 3.999 2.345 ( -2.886 7.338 -8.424) 11.539 2.394 ( -6.202 6.825 -3.241) 9.775 2.727 ( -2.391 10.035 1.996) 10.507 2.820 ( 0.782 0.999 -3.280) 3.517 2.948 ( 8.298 -4.148 11.196) 14.540 3.193 ( -9.556 -3.196 -2.224) 10.319 3.582 ( -7.572 -11.176 -0.180) 13.501 3.878 ( -2.525 2.858 -2.959) 4.827 4.086 ( 4.829 -2.884 2.272) 6.066 4.891 ( 2.647 9.600 -0.575) 9.975 5.228 ( 5.204 0.373 3.691) 6.391 5.439 ( 6.087 13.140 -3.246) 14.841 5.656 ( 11.314 2.072 -2.036) 11.681 6.148 ( 9.223 1.783 0.014) 9.394 6.379 ( 3.813 -1.163 -2.592) 4.756 10.493 ( -3.679 3.341 -3.451) 6.050 10.575 ( -5.212 0.428 -0.395) 5.245 10.918 ( -1.086 0.191 -1.725) 2.048 11.153 ( -8.859 -6.542 -2.531) 11.300 12.587 ( 2.965 -0.337 1.280) 3.247 12.841 ( -1.431 -9.948 6.008) 11.709 21.037 ( -8.196 2.107 0.135) 8.464 21.235 ( -7.197 -2.524 -2.325) 7.973 22.096 ( 5.283 11.401 2.126) 12.744 22.156 ( 6.666 13.495 -7.824) 16.964 23.315 ( -2.119 -3.289 1.482) 4.184 23.414 ( 5.067 -3.616 3.450) 7.117 ======================= Grid point 340 (184/225) ======================= q-point: (-0.09 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -2.239 9.707 10.983) 14.828 1.945 ( 1.568 3.797 1.700) 4.446 1.982 ( -9.366 10.837 5.230) 15.249 2.219 ( -2.437 6.562 -8.913) 11.333 2.340 ( 3.156 10.222 -3.532) 11.266 2.709 ( -1.698 11.551 6.959) 13.592 2.848 ( 3.347 0.929 -1.289) 3.705 3.024 ( -4.414 -5.400 0.281) 6.980 3.225 ( 8.413 -0.450 13.411) 15.838 3.433 ( -6.684 -12.874 -1.026) 14.541 3.785 ( -4.043 4.982 -4.894) 8.070 4.155 ( 1.403 -5.443 -1.684) 5.867 4.950 ( 3.091 9.090 0.591) 9.619 5.301 ( 0.672 1.454 2.285) 2.790 5.525 ( 4.557 13.855 -3.486) 14.996 5.842 ( 7.681 3.200 -1.141) 8.399 6.310 ( 5.118 -2.436 0.060) 5.668 6.422 ( 3.168 0.696 -2.815) 4.295 10.414 ( -2.350 1.306 -2.129) 3.429 10.489 ( -2.984 -1.433 -0.669) 3.377 10.904 ( 0.615 -1.118 -1.863) 2.258 10.989 ( -5.848 -5.315 -2.343) 8.242 12.663 ( 3.860 -1.002 1.807) 4.378 12.821 ( -4.052 -8.229 4.952) 10.424 20.875 ( -6.792 2.521 -2.300) 7.601 21.130 ( -3.181 -4.598 0.948) 5.671 22.166 ( 1.554 13.878 0.685) 13.981 22.245 ( 6.749 17.029 -7.451) 19.775 23.285 ( -1.625 -2.858 1.477) 3.604 23.544 ( 5.213 -5.439 3.489) 8.302 ======================= Grid point 341 (185/225) ======================= q-point: ( 0.00 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 1.949 7.490 7.182) 10.559 1.927 ( 1.994 -4.009 2.745) 5.252 2.114 ( -7.639 12.263 2.920) 14.740 2.255 ( -2.747 -0.942 -1.907) 3.474 2.510 ( 1.661 8.192 -8.355) 11.818 2.675 ( -0.448 -8.554 -4.915) 9.875 2.906 ( 1.049 6.291 -0.377) 6.389 3.086 ( -0.153 -11.693 -1.177) 11.753 3.266 ( 7.478 9.326 13.181) 17.794 3.402 ( 5.460 -3.784 11.845) 13.580 3.808 ( -4.074 7.896 -4.938) 10.165 3.972 ( -3.808 -8.186 -4.554) 10.112 5.159 ( 0.035 7.777 0.788) 7.817 5.281 ( -0.376 -4.203 1.150) 4.374 5.846 ( 0.850 12.177 -1.018) 12.249 5.962 ( 0.684 -0.064 -0.694) 0.977 6.287 ( -2.678 -0.528 0.026) 2.730 6.353 ( -1.961 -6.210 -0.924) 6.578 10.394 ( 0.011 1.071 -1.031) 1.487 10.424 ( 0.242 -1.752 -0.909) 1.988 10.846 ( -1.209 0.402 -1.768) 2.180 10.882 ( 1.677 -3.069 -3.289) 4.802 12.699 ( -1.497 -0.729 2.711) 3.181 12.710 ( 1.676 -1.710 2.213) 3.260 20.871 ( -0.645 5.573 -0.485) 5.631 20.990 ( 0.305 -6.390 0.200) 6.401 22.430 ( 1.215 9.246 -3.017) 9.802 22.507 ( 1.930 2.715 -4.849) 5.883 23.300 ( 0.046 5.589 2.164) 5.993 23.464 ( 0.231 -9.427 2.636) 9.792 ======================= Grid point 342 (186/225) ======================= q-point: ( 0.09 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 3.468 5.835 4.608) 8.204 1.984 ( 2.579 -2.084 -0.095) 3.317 2.029 ( -2.795 12.064 6.657) 14.060 2.199 ( -2.289 -4.176 0.911) 4.848 2.511 ( 3.479 8.186 -5.470) 10.441 2.650 ( 0.360 -6.659 -2.193) 7.020 2.982 ( 6.345 4.910 -1.469) 8.156 3.133 ( 3.909 -9.640 -0.066) 10.403 3.417 ( -0.493 5.568 2.548) 6.143 3.469 ( -1.866 1.424 1.925) 3.036 3.741 ( -0.066 4.825 0.577) 4.860 3.874 ( -2.707 -7.531 -0.257) 8.007 5.137 ( -2.577 7.930 0.525) 8.355 5.265 ( -2.049 -4.710 1.219) 5.279 5.798 ( -4.906 10.956 -1.805) 12.139 5.896 ( -6.530 0.351 -1.307) 6.668 6.199 ( -6.699 0.753 2.666) 7.249 6.282 ( -5.120 -5.964 1.367) 7.978 10.424 ( 3.323 1.636 -0.814) 3.792 10.462 ( 4.114 -1.993 -0.944) 4.667 10.836 ( 1.035 2.557 -0.936) 2.913 10.918 ( 3.946 -5.592 -2.766) 7.382 12.682 ( -1.564 2.391 1.740) 3.345 12.752 ( 1.398 -4.668 1.386) 5.066 20.913 ( 4.929 6.317 0.254) 8.016 21.043 ( 4.934 -6.649 -0.221) 8.283 22.402 ( -2.615 9.146 -2.828) 9.924 22.477 ( -1.631 1.909 -5.242) 5.812 23.311 ( 0.073 4.199 1.430) 4.437 23.446 ( -3.095 -8.180 1.629) 8.896 ======================= Grid point 343 (187/225) ======================= q-point: ( 0.18 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 6.024 3.589 -0.044) 7.012 2.043 ( 5.080 2.283 -1.774) 5.845 2.074 ( 1.429 6.477 7.450) 9.975 2.187 ( -0.281 -2.092 3.549) 4.129 2.582 ( 5.409 4.608 -2.568) 7.555 2.649 ( -1.100 -3.122 0.393) 3.333 3.074 ( -0.899 3.392 -1.737) 3.916 3.142 ( -2.387 -1.365 -0.767) 2.855 3.328 ( -2.403 0.324 -7.097) 7.500 3.397 ( 0.215 -7.325 -8.411) 11.156 3.814 ( 4.516 5.187 6.018) 9.139 3.898 ( 1.425 -3.230 6.442) 7.345 5.074 ( -3.811 8.265 0.374) 9.109 5.211 ( -4.239 -5.365 0.978) 6.907 5.641 ( -9.505 7.127 -2.241) 12.090 5.711 ( -10.786 -0.024 -2.149) 10.998 6.079 ( -7.497 4.448 4.733) 9.919 6.185 ( -6.280 -4.813 3.998) 8.865 10.502 ( 4.857 3.181 -0.389) 5.819 10.562 ( 6.298 -2.556 -0.707) 6.834 10.877 ( 3.433 4.901 0.042) 5.984 11.004 ( 6.284 -7.736 -1.703) 10.111 12.658 ( -1.678 4.598 0.522) 4.922 12.774 ( 0.327 -7.233 0.170) 7.242 21.052 ( 8.442 5.917 1.097) 10.367 21.165 ( 7.414 -5.328 -0.296) 9.135 22.285 ( -7.593 9.514 -2.512) 12.429 22.385 ( -4.643 -0.855 -5.687) 7.391 23.323 ( 0.584 1.102 0.592) 1.381 23.385 ( -3.307 -4.564 0.703) 5.680 ======================= Grid point 344 (188/225) ======================= q-point: ( 0.27 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -0.925 6.290 -6.183) 8.868 2.119 ( 3.002 -0.570 -5.575) 6.358 2.215 ( 7.073 4.419 7.952) 11.523 2.242 ( 4.634 1.400 4.206) 6.412 2.511 ( -11.973 1.112 -3.511) 12.527 2.611 ( -6.483 -7.371 -2.575) 10.148 2.952 ( -0.711 7.894 -3.403) 8.626 3.099 ( 1.047 -5.987 -4.126) 7.346 3.341 ( 6.517 3.268 -1.791) 7.507 3.458 ( 5.773 -9.138 -1.873) 10.970 3.932 ( 3.460 2.625 3.849) 5.803 3.955 ( 0.658 0.147 4.474) 4.524 5.008 ( -2.977 7.427 0.540) 8.020 5.117 ( -5.431 -3.660 0.394) 6.561 5.430 ( -10.432 3.762 -1.051) 11.140 5.483 ( -10.419 -0.938 -2.584) 10.776 5.976 ( -6.026 6.650 5.500) 10.525 6.091 ( -6.149 -4.206 5.263) 9.121 10.599 ( 4.916 4.510 0.277) 6.677 10.680 ( 5.675 -3.387 -0.177) 6.611 10.970 ( 5.717 7.895 0.966) 9.795 11.139 ( 7.920 -8.858 -0.125) 11.883 12.621 ( -2.120 5.521 -0.779) 5.965 12.764 ( -1.070 -8.926 -1.293) 9.082 21.235 ( 9.049 4.569 1.707) 10.280 21.311 ( 7.369 -2.871 -0.161) 7.910 22.096 ( -9.853 9.305 -2.309) 13.747 22.229 ( -7.656 -4.483 -5.635) 10.510 23.340 ( 0.519 -0.745 0.191) 0.928 23.346 ( -0.451 -1.343 -0.174) 1.427 ======================= Grid point 345 (189/225) ======================= q-point: ( 0.36 0.44 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -11.874 9.148 -7.055) 16.566 2.057 ( -8.302 -6.759 -5.247) 11.922 2.178 ( -9.093 3.853 -7.520) 12.413 2.243 ( -9.384 -1.471 -10.496) 14.156 2.451 ( 8.231 -1.253 4.797) 9.609 2.476 ( 2.802 -4.815 3.408) 6.531 3.032 ( 6.732 9.135 -0.335) 11.352 3.182 ( 7.005 -5.252 -0.559) 8.773 3.467 ( 5.538 2.196 2.109) 6.320 3.558 ( 4.492 -7.515 0.870) 8.798 3.951 ( -1.575 2.578 0.153) 3.024 3.987 ( -0.095 -1.074 0.461) 1.173 4.970 ( -1.747 6.534 1.088) 6.850 5.028 ( -3.052 0.927 0.086) 3.191 5.250 ( -7.375 1.272 0.259) 7.489 5.305 ( -6.125 -2.877 -1.688) 6.974 5.917 ( -3.396 5.853 5.643) 8.811 6.013 ( -4.942 -3.451 5.224) 7.977 10.690 ( 4.013 4.669 0.753) 6.202 10.772 ( 3.709 -3.443 0.189) 5.064 11.096 ( 5.947 10.699 1.639) 12.350 11.294 ( 7.181 -8.923 1.205) 11.516 12.568 ( -2.345 5.375 -1.747) 6.119 12.721 ( -2.057 -9.778 -2.369) 10.268 21.407 ( 7.307 2.782 1.449) 7.952 21.436 ( 5.320 0.093 -0.110) 5.322 21.901 ( -8.302 7.925 -1.609) 11.589 22.042 ( -7.585 -6.578 -5.216) 11.314 23.344 ( 0.642 0.076 -0.133) 0.659 23.358 ( 0.756 -1.355 -0.396) 1.602 ======================= Grid point 346 (190/225) ======================= q-point: ( 0.45 0.44 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -12.547 4.930 -5.390) 14.518 1.731 ( -15.786 -9.464 -5.054) 19.087 2.031 ( -3.818 0.893 -7.826) 8.753 2.060 ( -2.762 -1.761 -8.961) 9.541 2.546 ( 2.584 4.976 2.567) 6.167 2.644 ( 6.015 -5.195 2.850) 8.443 3.143 ( 4.276 9.089 -0.913) 10.086 3.307 ( 5.017 -6.410 0.304) 8.145 3.565 ( 2.500 1.712 3.940) 4.970 3.630 ( 1.721 -5.403 2.034) 6.024 3.904 ( -2.255 2.166 -1.891) 3.653 3.948 ( -2.623 -2.450 -2.732) 4.510 4.943 ( -0.875 8.135 0.706) 8.212 5.013 ( 0.427 4.175 0.540) 4.231 5.161 ( -2.054 -1.288 0.679) 2.518 5.227 ( -1.127 -4.309 -1.140) 4.598 5.916 ( -0.003 3.018 5.372) 6.161 5.967 ( -2.655 -1.643 4.426) 5.417 10.757 ( 2.219 4.017 0.715) 4.644 10.824 ( 1.597 -2.706 0.024) 3.142 11.201 ( 3.369 12.368 1.613) 12.920 11.412 ( 3.680 -8.430 1.438) 9.310 12.516 ( -1.720 4.485 -1.809) 5.133 12.664 ( -2.182 -9.867 -2.294) 10.363 21.496 ( 1.506 3.937 -1.209) 4.385 21.534 ( 4.165 0.312 1.241) 4.357 21.781 ( -2.800 5.160 -0.337) 5.881 21.895 ( -4.026 -6.400 -4.545) 8.822 23.355 ( 0.332 -0.171 -0.085) 0.383 23.363 ( -0.120 -0.962 -0.261) 1.004 ======================= Grid point 347 (191/225) ======================= q-point: (-0.45 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -2.669 2.074 0.803) 3.474 1.527 ( -2.302 -8.638 2.408) 9.258 1.942 ( -0.735 2.269 -4.279) 4.899 2.005 ( 0.896 -3.980 -5.047) 6.489 2.581 ( 0.097 7.249 1.202) 7.349 2.709 ( -0.095 -6.179 -0.110) 6.180 3.174 ( -0.003 9.211 -2.682) 9.594 3.354 ( -0.511 -7.282 -1.461) 7.445 3.605 ( -1.199 1.028 3.956) 4.260 3.645 ( -1.590 -3.800 2.554) 4.847 3.856 ( -1.425 1.238 -1.107) 2.189 3.888 ( -0.922 -2.270 -2.015) 3.172 4.957 ( 1.795 8.201 0.155) 8.396 5.025 ( 0.367 4.386 -0.049) 4.402 5.168 ( 2.516 -0.294 0.164) 2.539 5.247 ( 3.981 -4.694 -1.903) 6.442 5.963 ( 0.380 1.056 3.278) 3.464 5.980 ( 3.007 -0.380 4.264) 5.232 10.777 ( -0.469 3.441 -0.004) 3.472 10.833 ( -0.556 -2.059 -0.508) 2.192 11.232 ( -0.906 12.436 0.426) 12.476 11.441 ( -1.351 -8.056 0.339) 8.176 12.488 ( -0.187 3.410 -0.737) 3.494 12.619 ( -1.237 -9.172 -0.608) 9.275 21.473 ( -2.970 6.281 -0.242) 6.952 21.574 ( -0.911 -3.086 -0.354) 3.237 21.794 ( 3.694 2.892 0.112) 4.692 21.856 ( 3.331 -3.126 -4.007) 6.076 23.348 ( -1.308 -0.479 0.153) 1.402 23.351 ( -0.782 -0.759 0.242) 1.116 ======================= Grid point 348 (192/225) ======================= q-point: (-0.36 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 6.482 6.661 9.144) 13.039 1.630 ( 5.023 -6.616 10.976) 13.765 1.975 ( 5.666 -0.115 1.413) 5.840 2.022 ( 2.046 -4.397 -0.155) 4.852 2.578 ( -0.463 5.097 -0.547) 5.147 2.669 ( -1.238 -4.127 -4.184) 6.006 3.113 ( -3.901 8.918 -4.452) 10.704 3.260 ( -7.088 -3.872 -3.876) 8.958 3.545 ( -6.651 0.202 0.799) 6.702 3.593 ( -4.730 -6.219 1.157) 7.899 3.861 ( 1.661 2.428 2.712) 4.001 3.909 ( 2.515 -2.370 2.118) 4.053 5.003 ( 2.384 5.129 -0.068) 5.656 5.027 ( 0.690 3.085 -0.368) 3.182 5.267 ( 7.823 3.170 -0.899) 8.489 5.346 ( 7.461 -3.409 -3.264) 8.828 6.010 ( 2.965 4.134 1.774) 5.388 6.086 ( 5.340 -3.484 2.695) 6.922 10.739 ( -2.956 3.392 -1.063) 4.623 10.795 ( -2.971 -1.922 -1.054) 3.692 11.172 ( -4.706 10.725 -1.375) 11.792 11.364 ( -6.039 -8.107 -1.552) 10.227 12.502 ( 1.414 2.927 0.884) 3.368 12.614 ( 0.275 -8.056 1.991) 8.303 21.389 ( -5.913 5.877 0.927) 8.388 21.497 ( -5.922 -4.810 -1.296) 7.738 21.912 ( 8.421 3.967 -0.652) 9.331 21.966 ( 9.371 -0.917 -3.589) 10.077 23.319 ( -1.838 -0.165 0.837) 2.026 23.330 ( -1.564 -1.328 0.768) 2.191 ======================= Grid point 349 (193/225) ======================= q-point: (-0.27 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 5.245 6.455 10.003) 13.009 1.746 ( 1.645 2.143 12.539) 12.827 2.057 ( 1.409 1.597 5.500) 5.897 2.195 ( 10.375 -10.241 9.345) 17.317 2.551 ( 0.213 6.355 -4.718) 7.918 2.669 ( 4.448 -4.567 -5.865) 8.663 2.989 ( -5.149 7.796 -4.807) 10.507 3.065 ( -9.636 1.012 -3.064) 10.161 3.377 ( -9.882 0.890 -0.966) 9.969 3.483 ( -6.733 -10.219 -0.437) 12.245 3.930 ( 2.524 3.054 3.479) 5.273 3.977 ( 2.369 -1.547 2.920) 4.067 5.024 ( 1.310 5.892 -0.370) 6.048 5.090 ( 4.382 -1.006 1.345) 4.693 5.448 ( 10.864 3.878 -1.272) 11.605 5.490 ( 9.577 -0.460 -3.839) 10.328 6.097 ( 5.172 5.788 0.429) 7.774 6.209 ( 5.940 -5.119 0.773) 7.879 10.656 ( -4.527 3.089 -1.897) 5.800 10.704 ( -5.542 -1.345 -1.372) 5.865 11.054 ( -5.511 7.190 -2.607) 9.427 11.205 ( -8.266 -7.562 -3.029) 11.605 12.548 ( 2.210 2.883 2.175) 4.234 12.647 ( 0.997 -7.043 3.838) 8.083 21.256 ( -8.210 4.454 1.029) 9.397 21.344 ( -8.589 -4.312 -1.448) 9.719 22.097 ( 10.515 5.512 -0.899) 11.905 22.149 ( 11.160 0.806 -4.158) 11.937 23.297 ( -1.219 -0.623 1.753) 2.224 23.308 ( -0.950 -1.538 1.520) 2.362 ======================= Grid point 350 (194/225) ======================= q-point: (-0.18 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -2.666 7.072 8.399) 11.299 1.860 ( 0.311 -4.678 6.528) 8.037 2.173 ( 4.591 10.850 9.332) 15.029 2.355 ( 1.098 -5.872 1.591) 6.182 2.560 ( 1.585 9.354 -4.724) 10.598 2.738 ( 3.730 -7.978 -4.785) 10.023 2.910 ( -2.789 5.722 1.167) 6.472 2.934 ( 2.641 2.890 4.271) 5.794 3.174 ( -9.693 2.226 -0.632) 9.965 3.331 ( -8.161 -12.415 -1.170) 14.903 3.958 ( -0.856 4.439 -0.215) 4.526 4.034 ( 1.814 -3.131 1.111) 3.785 5.067 ( 2.884 7.929 0.594) 8.458 5.189 ( 4.259 -4.271 1.998) 6.354 5.636 ( 9.194 6.067 -1.949) 11.187 5.685 ( 11.609 0.273 -1.452) 11.702 6.205 ( 5.722 4.672 -0.788) 7.429 6.313 ( 4.537 -5.256 -0.913) 7.003 10.547 ( -5.251 2.124 -2.312) 6.118 10.575 ( -6.424 -0.666 -1.125) 6.556 10.948 ( -3.413 2.999 -3.001) 5.445 11.033 ( -6.922 -5.450 -3.335) 9.420 12.606 ( 2.144 2.417 2.676) 4.194 12.687 ( 0.357 -5.884 4.268) 7.278 21.092 ( -8.615 3.462 0.011) 9.285 21.167 ( -8.431 -3.937 -0.534) 9.320 22.283 ( 8.395 6.833 -0.870) 10.860 22.327 ( 9.792 3.123 -5.449) 11.633 23.284 ( -1.034 0.588 2.148) 2.455 23.335 ( 2.198 -3.972 2.860) 5.366 ======================= Grid point 351 (195/225) ======================= q-point: (-0.09 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -0.616 7.897 8.230) 11.423 1.885 ( 0.229 -5.545 3.764) 6.706 2.232 ( -4.037 9.933 3.527) 11.288 2.318 ( -2.121 1.446 -3.914) 4.681 2.528 ( 0.897 9.406 -7.426) 12.017 2.716 ( -0.640 -8.742 -5.640) 10.423 2.954 ( -3.561 8.703 1.524) 9.526 3.040 ( 5.289 6.938 9.742) 13.078 3.166 ( -0.617 -10.457 4.053) 11.232 3.176 ( 2.556 -7.606 7.382) 10.904 3.907 ( -3.044 6.963 -3.374) 8.315 4.041 ( -0.882 -6.415 -2.380) 6.899 5.127 ( 2.424 8.409 1.006) 8.809 5.261 ( 1.846 -4.773 1.480) 5.327 5.781 ( 6.209 9.965 -1.104) 11.793 5.878 ( 7.931 -0.430 -0.473) 7.957 6.289 ( 2.939 1.243 -1.360) 3.469 6.365 ( 1.475 -5.146 -1.599) 5.587 10.441 ( -3.842 1.327 -1.677) 4.397 10.465 ( -3.836 -1.164 -0.947) 4.119 10.889 ( -0.984 -0.146 -2.831) 3.001 10.910 ( -3.596 -2.531 -3.069) 5.363 12.660 ( 1.852 0.917 2.552) 3.284 12.705 ( -0.895 -3.846 3.719) 5.424 20.942 ( -5.987 4.159 -0.804) 7.334 21.033 ( -4.898 -4.975 0.384) 6.992 22.395 ( 4.204 8.515 -2.277) 9.765 22.456 ( 6.402 3.513 -5.127) 8.922 23.286 ( -0.190 3.651 2.431) 4.390 23.410 ( 3.023 -7.651 3.253) 8.847 ======================= Grid point 396 (196/225) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.000 0.000 -0.000) 0.000 1.364 ( 0.000 0.000 0.000) 0.000 1.413 ( -0.000 0.000 -0.000) 0.000 1.514 ( -0.000 0.000 0.000) 0.000 2.303 ( -0.000 0.000 0.000) 0.000 2.539 ( -0.000 0.000 -0.000) 0.000 2.869 ( -0.000 0.000 0.000) 0.000 2.904 ( -0.000 0.000 0.000) 0.000 3.288 ( -0.000 0.000 0.000) 0.000 3.662 ( -0.000 0.000 0.000) 0.000 3.855 ( -0.000 0.000 0.000) 0.000 4.422 ( -0.000 0.000 0.000) 0.000 4.688 ( -0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 5.332 ( -0.000 0.000 0.000) 0.000 5.719 ( -0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 6.565 ( -0.000 0.000 0.000) 0.000 10.422 ( 0.000 0.000 0.000) 0.000 10.552 ( -0.000 0.000 0.000) 0.000 10.956 ( -0.000 0.000 0.000) 0.000 11.139 ( 0.000 0.000 0.000) 0.000 12.894 ( -0.000 0.000 0.000) 0.000 13.221 ( 0.000 0.000 0.000) 0.000 20.835 ( -0.000 0.000 0.000) 0.000 21.309 ( 0.000 0.000 0.000) 0.000 21.378 ( -0.000 0.000 0.000) 0.000 21.396 ( 0.000 0.000 -0.000) 0.000 23.470 ( -0.000 0.000 0.000) 0.000 23.713 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 398 (197/225) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 2.630 0.000 -12.811) 13.078 1.563 ( 11.467 0.000 8.244) 14.122 1.587 ( 11.942 0.000 12.837) 17.533 1.601 ( 10.931 0.000 -9.514) 14.491 2.235 ( -5.614 0.000 -2.648) 6.207 2.487 ( 2.729 0.000 -21.907) 22.077 2.903 ( 1.270 0.000 9.112) 9.200 2.910 ( 0.276 0.000 0.111) 0.297 3.386 ( 7.509 0.000 1.661) 7.691 3.594 ( -5.984 0.000 -4.156) 7.285 3.796 ( -3.066 0.000 2.266) 3.812 4.507 ( 3.018 0.000 9.500) 9.968 4.614 ( -6.400 0.000 -1.955) 6.692 4.723 ( 0.494 0.000 -0.356) 0.609 5.302 ( -3.607 0.000 0.780) 3.691 5.678 ( -4.745 0.000 1.122) 4.876 5.715 ( -0.793 0.000 1.400) 1.609 6.457 ( -8.581 0.000 -2.431) 8.919 10.398 ( -1.904 0.000 -1.079) 2.188 10.555 ( -0.201 0.000 0.958) 0.979 10.929 ( -1.502 0.000 1.672) 2.248 11.250 ( 9.961 0.000 -3.120) 10.438 12.765 ( -8.285 0.000 -0.957) 8.340 13.368 ( 7.275 0.000 7.799) 10.666 20.855 ( 2.234 0.000 -0.976) 2.438 21.091 ( -9.260 0.000 -4.275) 10.199 21.313 ( 0.120 0.000 0.907) 0.915 21.724 ( 18.332 0.000 -8.100) 20.042 23.479 ( 0.782 0.000 -0.220) 0.812 23.657 ( -4.951 0.000 -1.143) 5.081 ======================= Grid point 399 (198/225) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 9.373 0.000 -8.771) 12.837 1.731 ( 7.964 0.000 -11.210) 13.751 1.915 ( 18.719 0.000 3.452) 19.034 1.918 ( 13.933 0.000 11.283) 17.929 2.082 ( -7.692 0.000 -2.617) 8.125 2.456 ( 7.922 0.000 -19.113) 20.689 2.903 ( -0.896 0.000 -1.099) 1.418 3.005 ( 4.669 0.000 -0.320) 4.680 3.440 ( -1.851 0.000 -2.264) 2.924 3.550 ( 4.080 0.000 3.033) 5.084 3.811 ( 1.811 0.000 6.012) 6.279 4.444 ( -8.913 0.000 -2.695) 9.311 4.573 ( -2.036 0.000 7.391) 7.666 4.731 ( 0.268 0.000 0.106) 0.288 5.189 ( -8.284 0.000 -0.573) 8.304 5.557 ( -7.830 0.000 0.869) 7.878 5.707 ( -1.154 0.000 2.396) 2.659 6.304 ( -4.739 0.000 1.611) 5.006 10.347 ( -2.509 0.000 -1.051) 2.720 10.550 ( -0.950 0.000 0.901) 1.310 10.941 ( 1.495 0.000 1.732) 2.288 11.427 ( 9.052 0.000 -2.438) 9.375 12.639 ( -4.235 0.000 1.496) 4.492 13.486 ( 0.276 0.000 4.467) 4.475 20.907 ( 3.929 0.000 -1.790) 4.317 21.028 ( 4.604 0.000 -1.403) 4.813 21.322 ( -0.013 0.000 1.672) 1.672 21.981 ( 13.792 0.000 -11.587) 18.013 23.480 ( -1.971 0.000 0.381) 2.008 23.546 ( -3.516 0.000 -2.089) 4.089 ======================= Grid point 400 (199/225) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 11.582 0.000 -2.265) 11.801 1.770 ( 6.407 0.000 -18.403) 19.486 1.934 ( -5.777 0.000 -1.153) 5.891 2.235 ( 11.741 0.000 8.704) 14.616 2.266 ( 11.749 0.000 5.070) 12.796 2.551 ( 9.932 0.000 -9.067) 13.448 2.867 ( -1.342 0.000 -2.226) 2.600 3.046 ( 4.654 0.000 -8.903) 10.046 3.504 ( 5.669 0.000 2.078) 6.037 3.623 ( 3.480 0.000 0.740) 3.558 3.910 ( 3.088 0.000 7.704) 8.300 4.262 ( -7.720 0.000 -1.931) 7.957 4.536 ( -3.605 0.000 2.082) 4.163 4.730 ( -0.984 0.000 1.329) 1.654 4.976 ( -11.793 0.000 -4.062) 12.473 5.423 ( -5.542 0.000 1.094) 5.649 5.701 ( -0.980 0.000 2.701) 2.873 6.301 ( 0.339 0.000 8.004) 8.011 10.296 ( -2.083 0.000 -0.496) 2.141 10.529 ( -1.562 0.000 0.411) 1.615 10.996 ( 2.648 0.000 2.039) 3.342 11.551 ( 4.577 0.000 -1.019) 4.689 12.621 ( 0.735 0.000 2.748) 2.845 13.442 ( -4.609 0.000 -2.026) 5.034 20.980 ( 4.664 0.000 -2.272) 5.188 21.210 ( 10.825 0.000 6.323) 12.537 21.330 ( -0.463 0.000 2.142) 2.191 22.110 ( 6.925 0.000 -13.169) 14.879 23.413 ( -2.657 0.000 0.176) 2.663 23.519 ( -0.139 0.000 -0.991) 1.001 ======================= Grid point 401 (200/225) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 9.514 0.000 4.655) 10.592 1.808 ( 8.493 0.000 -14.890) 17.142 1.858 ( -1.170 0.000 -1.499) 1.902 2.311 ( -6.346 0.000 -0.800) 6.396 2.430 ( 3.479 0.000 2.846) 4.494 2.773 ( 13.265 0.000 1.882) 13.398 2.861 ( 2.537 0.000 -0.087) 2.538 3.137 ( 8.605 0.000 -7.184) 11.210 3.546 ( -0.356 0.000 -2.675) 2.699 3.744 ( 5.841 0.000 2.515) 6.360 3.996 ( 1.638 0.000 5.015) 5.276 4.143 ( -3.210 0.000 -0.457) 3.242 4.493 ( -1.041 0.000 0.230) 1.066 4.637 ( -13.144 0.000 1.146) 13.194 4.771 ( -1.775 0.000 -5.617) 5.891 5.368 ( -1.350 0.000 1.975) 2.393 5.701 ( -0.536 0.000 2.128) 2.194 6.369 ( 0.868 0.000 8.223) 8.268 10.263 ( -1.150 0.000 0.017) 1.150 10.498 ( -1.546 0.000 -0.026) 1.546 11.056 ( 2.154 0.000 1.855) 2.843 11.600 ( 1.223 0.000 -0.178) 1.236 12.680 ( 2.872 0.000 2.992) 4.148 13.323 ( -4.658 0.000 -4.896) 6.758 21.054 ( 4.095 0.000 -2.168) 4.634 21.329 ( -0.930 0.000 2.068) 2.267 21.465 ( 9.262 0.000 10.428) 13.947 22.099 ( 0.481 0.000 -12.911) 12.920 23.404 ( 1.159 0.000 0.551) 1.284 23.507 ( -0.650 0.000 -0.517) 0.831 ======================= Grid point 402 (201/225) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 1.145 0.000 4.422) 4.568 1.881 ( 3.897 0.000 -1.376) 4.133 1.931 ( 10.721 0.000 -7.181) 12.904 2.127 ( -10.938 0.000 0.899) 10.975 2.429 ( -1.640 0.000 -1.129) 1.991 2.937 ( 2.862 0.000 1.254) 3.125 2.994 ( 6.111 0.000 3.430) 7.008 3.233 ( 3.891 0.000 -4.877) 6.239 3.511 ( -1.357 0.000 -0.410) 1.418 3.825 ( 1.636 0.000 0.443) 1.695 4.036 ( 0.541 0.000 1.397) 1.498 4.151 ( 3.665 0.000 1.299) 3.889 4.366 ( -11.300 0.000 -2.511) 11.575 4.493 ( 0.347 0.000 0.199) 0.400 4.748 ( 0.012 0.000 -1.106) 1.106 5.371 ( 0.116 0.000 1.012) 1.018 5.704 ( -0.151 0.000 0.805) 0.819 6.416 ( 0.245 0.000 3.327) 3.336 10.250 ( -0.312 0.000 0.103) 0.329 10.475 ( -0.673 0.000 -0.094) 0.680 11.094 ( 0.803 0.000 0.767) 1.110 11.610 ( 0.123 0.000 0.006) 0.123 12.742 ( 1.536 0.000 1.565) 2.193 13.231 ( -1.956 0.000 -2.618) 3.268 21.104 ( 1.776 0.000 -1.009) 2.043 21.321 ( -0.605 0.000 0.971) 1.144 21.662 ( 4.466 0.000 7.388) 8.633 22.010 ( -1.700 0.000 -7.949) 8.129 23.440 ( 1.518 0.000 0.510) 1.601 23.489 ( -0.813 0.000 -0.395) 0.903 ======================= Grid point 408 (202/225) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 5.154 -0.000) 5.154 1.434 ( 0.000 14.912 0.000) 14.912 1.496 ( 0.000 9.025 0.000) 9.025 1.593 ( 0.000 7.694 0.000) 7.694 2.271 ( -0.000 -2.333 0.000) 2.333 2.586 ( -0.000 4.826 -0.000) 4.826 2.907 ( -0.000 0.284 -0.000) 0.284 2.941 ( 0.000 6.909 0.000) 6.909 3.263 ( -0.000 -2.331 -0.000) 2.331 3.669 ( -0.000 0.867 0.000) 0.867 3.783 ( -0.000 -6.998 0.000) 6.998 4.327 ( -0.000 -7.384 0.000) 7.384 4.742 ( -0.000 4.554 0.000) 4.554 4.834 ( -0.000 11.006 0.000) 11.006 5.347 ( -0.000 1.448 0.000) 1.448 5.745 ( 0.000 2.815 0.000) 2.815 5.902 ( -0.000 15.531 0.000) 15.531 6.546 ( -0.000 -1.980 0.000) 1.980 10.411 ( -0.000 -1.032 0.000) 1.032 10.532 ( -0.000 -1.923 0.000) 1.923 10.949 ( -0.000 -0.750 0.000) 0.750 11.107 ( 0.000 -3.274 0.000) 3.274 12.870 ( -0.000 -2.240 0.000) 2.240 13.135 ( 0.000 -7.932 0.000) 7.932 20.769 ( -0.000 -4.260 0.000) 4.260 21.306 ( -0.000 -2.130 0.000) 2.130 21.512 ( -0.000 13.102 0.000) 13.102 21.553 ( 0.000 14.803 0.000) 14.803 23.438 ( -0.000 -3.075 0.000) 3.075 23.721 ( -0.000 0.542 0.000) 0.542 ======================= Grid point 410 (203/225) ======================= q-point: ( 0.09 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 1.842 13.079 -11.469) 17.492 1.601 ( 6.280 4.425 11.762) 14.048 1.640 ( 15.145 7.179 -3.760) 17.177 1.705 ( 8.818 7.937 3.554) 12.385 2.205 ( -4.878 -1.845 -2.851) 5.944 2.565 ( 3.252 6.853 -18.848) 20.317 2.876 ( -0.992 -1.196 -1.087) 1.896 2.970 ( 0.654 4.386 8.180) 9.305 3.369 ( 7.444 -1.513 1.616) 7.767 3.604 ( -5.333 1.046 -3.824) 6.645 3.764 ( -0.504 -3.388 2.260) 4.104 4.371 ( 0.903 -9.919 6.450) 11.867 4.681 ( -5.243 5.038 -1.090) 7.352 4.841 ( 0.172 10.915 0.507) 10.928 5.321 ( -2.979 1.725 0.153) 3.446 5.694 ( -5.307 2.066 0.649) 5.731 5.893 ( -2.372 15.037 4.021) 15.745 6.440 ( -8.514 -1.721 -2.220) 8.966 10.393 ( -1.341 -0.449 -0.941) 1.699 10.542 ( 0.550 -1.255 0.784) 1.579 10.919 ( -1.735 -0.992 1.875) 2.741 11.214 ( 9.549 -3.619 -2.998) 10.643 12.747 ( -7.856 -1.628 -0.602) 8.045 13.271 ( 7.162 -8.979 5.293) 12.647 20.807 ( 3.844 -2.742 1.092) 4.846 21.185 ( -7.622 5.396 -2.462) 9.658 21.431 ( -1.052 12.442 -0.146) 12.488 21.786 ( 15.277 6.574 -7.785) 18.364 23.449 ( 1.060 -2.878 -0.303) 3.082 23.662 ( -5.278 0.305 -1.106) 5.402 ======================= Grid point 411 (204/225) ======================= q-point: ( 0.18 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 6.079 10.621 -9.048) 15.219 1.766 ( 6.646 3.357 -6.674) 10.000 1.947 ( 13.605 3.726 6.858) 15.685 1.966 ( 16.281 4.858 3.119) 17.274 2.094 ( -4.471 1.115 -0.791) 4.676 2.528 ( 5.741 6.679 -17.261) 19.378 2.856 ( -0.890 -3.464 -1.055) 3.729 3.056 ( 3.666 4.050 0.084) 5.464 3.415 ( -0.786 -3.121 -4.732) 5.723 3.580 ( 3.808 3.239 4.260) 6.568 3.804 ( 2.127 -0.697 5.351) 5.800 4.385 ( -2.909 -9.522 3.278) 10.482 4.559 ( -6.425 4.204 0.579) 7.700 4.840 ( -0.580 10.310 0.636) 10.346 5.219 ( -7.407 2.512 -1.517) 7.967 5.561 ( -8.214 0.684 0.804) 8.282 5.842 ( -5.238 11.488 4.071) 13.266 6.292 ( -4.564 -1.109 1.879) 5.059 10.359 ( -1.504 1.203 -0.677) 2.042 10.553 ( 0.026 0.333 0.692) 0.768 10.928 ( 1.307 -1.267 1.919) 2.645 11.387 ( 9.082 -3.984 -2.205) 10.160 12.628 ( -4.203 -1.031 1.323) 4.525 13.382 ( 1.237 -9.731 2.305) 10.076 20.943 ( 8.250 1.113 4.656) 9.539 21.080 ( -0.470 6.593 -4.840) 8.192 21.424 ( -0.510 10.056 1.603) 10.196 22.000 ( 12.099 2.108 -11.244) 16.651 23.463 ( -0.325 -1.891 0.033) 1.919 23.537 ( -5.197 -0.769 -1.882) 5.580 ======================= Grid point 412 (205/225) ======================= q-point: ( 0.27 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 7.308 3.657 -5.199) 9.685 1.799 ( 5.496 2.577 -15.092) 16.267 2.003 ( -3.919 6.379 -0.769) 7.526 2.241 ( 10.072 0.440 7.433) 12.526 2.284 ( 11.048 1.907 4.467) 12.068 2.598 ( 8.877 4.439 -7.423) 12.394 2.830 ( -1.023 -3.001 -1.551) 3.530 3.060 ( 2.720 0.790 -9.527) 9.939 3.478 ( 6.145 -2.652 1.975) 6.978 3.664 ( 3.392 3.926 0.331) 5.198 3.896 ( 2.737 -0.917 7.118) 7.681 4.323 ( -3.361 0.611 -0.095) 3.417 4.442 ( -6.066 -3.126 0.987) 6.895 4.826 ( -1.841 9.085 1.348) 9.367 5.019 ( -10.638 3.756 -4.652) 12.203 5.419 ( -6.028 -0.298 1.212) 6.156 5.774 ( -3.185 6.317 2.836) 7.622 6.282 ( -0.653 -1.677 7.739) 7.946 10.333 ( -0.857 3.595 0.085) 3.696 10.549 ( -0.737 2.002 0.217) 2.144 10.981 ( 2.581 -1.426 2.120) 3.631 11.519 ( 5.219 -3.117 -0.761) 6.126 12.602 ( 0.209 -1.749 2.303) 2.899 13.354 ( -3.238 -8.422 -2.814) 9.452 21.067 ( 2.741 7.589 -2.472) 8.439 21.185 ( 9.836 -0.967 6.666) 11.922 21.429 ( -0.087 8.727 3.221) 9.303 22.106 ( 5.984 -0.303 -12.775) 14.110 23.410 ( -2.795 -0.394 -0.019) 2.822 23.495 ( 0.031 -2.309 -1.030) 2.529 ======================= Grid point 413 (206/225) ======================= q-point: ( 0.36 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 8.321 -3.941 -1.649) 9.354 1.850 ( 7.223 2.067 -9.348) 11.993 1.933 ( -2.159 7.694 -1.717) 8.174 2.292 ( -5.815 -1.825 -0.811) 6.149 2.422 ( 0.340 -0.626 0.562) 0.908 2.789 ( 10.168 0.177 1.678) 10.307 2.838 ( 4.712 -1.316 1.554) 5.133 3.140 ( 9.041 0.524 -6.399) 11.089 3.557 ( 1.127 0.552 -1.530) 1.979 3.747 ( 4.235 0.712 1.720) 4.626 3.972 ( 1.444 -1.313 4.153) 4.589 4.264 ( -2.807 10.728 0.012) 11.089 4.365 ( -1.687 -10.874 0.260) 11.007 4.705 ( -12.118 5.193 -0.420) 13.191 4.855 ( -1.311 8.078 -4.116) 9.160 5.357 ( -1.647 -1.040 2.012) 2.800 5.753 ( -0.786 4.658 2.112) 5.175 6.322 ( -0.417 -4.387 7.547) 8.739 10.327 ( -0.014 6.206 0.632) 6.238 10.530 ( -1.060 3.173 -0.227) 3.354 11.041 ( 2.127 -1.487 1.852) 3.188 11.583 ( 1.784 -1.696 -0.007) 2.462 12.647 ( 2.333 -3.152 2.543) 4.674 13.256 ( -3.682 -6.524 -4.880) 8.941 21.110 ( 3.046 5.110 -2.626) 6.502 21.344 ( 1.444 1.630 3.888) 4.456 21.514 ( 5.976 4.763 9.217) 11.973 22.084 ( 0.034 -1.458 -12.553) 12.637 23.397 ( 1.009 -0.777 0.377) 1.328 23.487 ( -0.458 -1.935 -0.561) 2.066 ======================= Grid point 414 (207/225) ======================= q-point: ( 0.45 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 8.196 -6.834 1.900) 10.839 1.887 ( -0.795 6.301 -0.929) 6.419 1.954 ( 5.919 0.498 -4.918) 7.712 2.110 ( -10.168 -1.463 -0.101) 10.273 2.364 ( -2.715 -6.010 -2.097) 6.920 2.930 ( 3.706 -1.101 1.578) 4.176 2.986 ( 4.529 -0.735 2.876) 5.416 3.264 ( 5.200 3.080 -3.027) 6.760 3.538 ( -1.253 2.378 -0.739) 2.788 3.816 ( 1.724 -0.599 0.973) 2.068 4.004 ( 0.360 -2.240 1.031) 2.492 4.245 ( 1.919 5.439 -0.585) 5.797 4.327 ( -4.474 -3.204 0.406) 5.518 4.508 ( -4.632 3.946 -1.192) 6.200 4.832 ( -0.157 8.007 -0.976) 8.067 5.356 ( -0.004 -1.463 1.013) 1.779 5.757 ( -0.016 4.844 0.780) 4.906 6.347 ( -0.289 -6.546 3.021) 7.215 10.334 ( 0.207 8.194 0.407) 8.207 10.511 ( -0.559 3.551 -0.216) 3.602 11.078 ( 0.790 -1.528 0.752) 1.877 11.601 ( 0.302 -0.876 0.059) 0.929 12.700 ( 1.313 -4.148 1.336) 4.551 13.178 ( -1.589 -5.257 -2.483) 6.027 21.144 ( 1.359 3.802 -1.116) 4.189 21.356 ( -0.429 3.378 1.121) 3.585 21.682 ( 4.065 1.933 7.506) 8.752 21.991 ( -1.886 -1.941 -8.012) 8.457 23.429 ( 1.462 -1.056 0.436) 1.855 23.471 ( -0.742 -1.676 -0.406) 1.878 ======================= Grid point 420 (208/225) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 0.000 8.787 0.000) 8.787 1.712 ( 0.000 11.746 -0.000) 11.746 1.736 ( -0.000 13.518 0.000) 13.518 1.793 ( 0.000 12.214 0.000) 12.214 2.247 ( 0.000 0.390 0.000) 0.390 2.705 ( -0.000 5.839 -0.000) 5.839 2.913 ( -0.000 -0.020 -0.000) 0.020 3.121 ( 0.000 10.991 0.000) 10.991 3.219 ( -0.000 -0.975 -0.000) 0.975 3.594 ( -0.000 -11.727 0.000) 11.727 3.697 ( -0.000 1.492 0.000) 1.492 4.185 ( -0.000 -6.778 -0.000) 6.778 4.852 ( 0.000 6.625 0.000) 6.625 5.106 ( -0.000 15.533 0.000) 15.533 5.384 ( -0.000 2.397 0.000) 2.397 5.819 ( 0.000 4.333 0.000) 4.333 6.213 ( -0.000 13.690 0.000) 13.690 6.484 ( -0.000 -4.410 0.000) 4.410 10.388 ( -0.000 -1.134 0.000) 1.134 10.487 ( 0.000 -2.317 0.000) 2.317 10.926 ( 0.000 -1.625 -0.000) 1.625 11.015 ( -0.000 -5.773 0.000) 5.773 12.816 ( -0.000 -3.066 0.000) 3.066 12.956 ( 0.000 -9.193 0.000) 9.193 20.725 ( -0.000 0.024 0.000) 0.024 21.233 ( -0.000 -4.975 0.000) 4.975 21.858 ( 0.000 20.355 0.000) 20.355 21.872 ( -0.000 16.512 0.000) 16.512 23.361 ( -0.000 -4.357 0.000) 4.357 23.717 ( -0.000 -1.489 0.000) 1.489 ======================= Grid point 422 (209/225) ======================= q-point: ( 0.09 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 3.117 10.292 -8.114) 13.471 1.736 ( 2.592 8.630 8.667) 12.502 1.865 ( 10.719 13.816 -1.932) 17.593 1.874 ( 6.790 8.804 2.422) 11.379 2.197 ( -3.993 1.484 -0.692) 4.316 2.717 ( 3.712 7.083 -11.753) 14.216 2.866 ( -3.950 0.884 -4.074) 5.743 3.052 ( 0.115 2.683 2.701) 3.809 3.354 ( 5.115 1.254 1.789) 5.562 3.610 ( -0.937 -4.200 -0.802) 4.377 3.671 ( 2.034 -2.775 0.238) 3.449 4.193 ( -1.530 -7.467 5.592) 9.453 4.801 ( -4.288 7.236 -0.967) 8.467 5.113 ( 0.200 15.766 0.158) 15.769 5.359 ( -2.748 1.967 0.027) 3.379 5.753 ( -6.583 3.792 0.315) 7.603 6.189 ( -4.752 12.772 5.715) 14.777 6.389 ( -7.609 -3.415 -1.735) 8.518 10.386 ( 0.095 -0.130 -0.480) 0.506 10.512 ( 2.156 -1.636 0.355) 2.730 10.892 ( -1.993 -1.736 2.366) 3.547 11.114 ( 8.550 -6.182 -2.618) 10.871 12.710 ( -6.568 -1.919 -0.049) 6.842 13.065 ( 6.288 -10.802 1.182) 12.554 20.785 ( 5.481 0.676 2.409) 6.025 21.218 ( -0.819 -1.622 -1.151) 2.151 21.771 ( -4.343 20.131 0.996) 20.618 21.977 ( 7.661 12.131 -6.406) 15.713 23.376 ( 1.506 -4.180 -0.376) 4.459 23.654 ( -5.616 -1.510 -1.146) 5.928 ======================= Grid point 423 (210/225) ======================= q-point: ( 0.18 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 2.944 10.980 -9.593) 14.874 1.860 ( 4.177 6.080 -1.359) 7.501 2.032 ( 7.854 5.037 8.647) 12.721 2.091 ( 7.162 3.297 -2.534) 8.281 2.159 ( 6.128 8.909 -0.044) 10.813 2.684 ( 1.729 8.385 -13.131) 15.675 2.794 ( -1.257 -2.473 0.231) 2.784 3.136 ( 3.289 3.461 -0.245) 4.781 3.314 ( -2.367 -6.760 -7.171) 10.135 3.664 ( 5.314 4.185 2.911) 7.364 3.767 ( 4.467 -3.641 4.845) 7.529 4.174 ( -3.531 -9.248 4.612) 10.921 4.700 ( -5.217 8.916 -0.502) 10.343 5.103 ( -1.560 15.461 0.293) 15.543 5.268 ( -6.200 1.982 -1.926) 6.788 5.588 ( -9.920 2.063 0.568) 10.148 6.053 ( -11.321 7.588 4.221) 14.268 6.278 ( -3.342 0.475 3.226) 4.669 10.394 ( 0.874 2.328 0.273) 2.501 10.563 ( 2.622 0.611 0.160) 2.697 10.896 ( 0.895 -1.709 2.407) 3.084 11.278 ( 9.114 -6.802 -1.538) 11.476 12.607 ( -4.019 -0.862 0.714) 4.172 13.153 ( 2.303 -12.464 -1.056) 12.719 20.958 ( 9.583 1.264 4.739) 10.766 21.204 ( 0.600 3.940 -1.825) 4.383 21.703 ( -3.904 17.259 2.281) 17.841 22.073 ( 6.708 5.403 -9.594) 12.893 23.406 ( 1.535 -3.595 -0.513) 3.943 23.515 ( -6.781 -1.657 -1.663) 7.176 ======================= Grid point 424 (211/225) ======================= q-point: ( 0.27 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.142 7.337 -8.561) 11.276 1.865 ( 3.373 4.095 -12.340) 13.432 2.121 ( -0.317 3.605 0.808) 3.708 2.257 ( 6.614 1.851 4.378) 8.144 2.352 ( 8.198 5.170 3.315) 10.243 2.693 ( 4.887 4.157 -2.114) 6.755 2.775 ( -2.747 -2.129 -2.761) 4.438 3.060 ( 1.092 -0.856 -9.706) 9.805 3.409 ( 8.039 -3.806 2.933) 9.366 3.758 ( 3.076 4.793 -1.232) 5.827 3.879 ( 3.243 -1.519 6.242) 7.196 4.134 ( -1.812 -11.704 1.501) 11.938 4.599 ( -4.984 12.057 0.032) 13.046 5.029 ( -8.332 8.623 0.831) 12.019 5.123 ( -4.235 8.360 -4.612) 10.444 5.414 ( -7.490 -0.089 1.401) 7.620 5.895 ( -6.107 4.940 3.038) 8.422 6.252 ( -3.206 -1.046 6.676) 7.479 10.426 ( 1.895 5.420 1.408) 5.912 10.606 ( 1.690 3.709 -0.295) 4.087 10.945 ( 2.357 -1.938 2.376) 3.867 11.433 ( 6.892 -5.550 -0.030) 8.849 12.563 ( -1.129 -1.868 1.073) 2.432 13.146 ( -1.091 -11.911 -3.901) 12.581 21.167 ( 7.473 1.487 -0.730) 7.654 21.240 ( 4.196 6.307 5.153) 9.162 21.647 ( -3.567 12.834 4.120) 13.943 22.105 ( 2.682 0.444 -11.113) 11.441 23.396 ( -2.817 -1.084 -0.436) 3.050 23.435 ( 0.473 -3.527 -1.171) 3.746 ======================= Grid point 425 (212/225) ======================= q-point: ( 0.36 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 2.374 -0.890 -6.458) 6.938 1.887 ( 5.291 1.812 -8.969) 10.570 2.083 ( -3.699 5.344 -0.930) 6.566 2.242 ( -5.567 -3.180 -1.122) 6.508 2.425 ( -6.905 1.962 -3.475) 7.976 2.720 ( 6.984 -5.654 1.198) 9.066 2.855 ( 7.063 1.662 4.302) 8.435 3.169 ( 10.560 2.444 -3.208) 11.304 3.550 ( 4.237 -1.206 1.503) 4.655 3.784 ( 1.184 2.862 -0.904) 3.226 3.952 ( 0.845 -1.485 3.797) 4.163 4.119 ( -0.496 -12.832 -1.250) 12.903 4.521 ( -2.690 14.535 0.386) 14.787 4.817 ( -10.949 6.032 -1.467) 12.586 5.057 ( -1.517 11.235 -2.540) 11.618 5.330 ( -2.645 -1.659 2.204) 3.822 5.850 ( -0.802 4.403 2.443) 5.098 6.222 ( -3.574 -4.983 5.678) 8.357 10.481 ( 2.590 8.436 2.114) 9.075 10.622 ( 0.299 6.262 -0.882) 6.331 11.004 ( 2.086 -1.998 1.902) 3.459 11.536 ( 3.499 -3.028 0.533) 4.658 12.569 ( 0.767 -4.245 1.302) 4.505 13.085 ( -1.958 -10.351 -4.614) 11.501 21.223 ( 2.462 5.776 -3.528) 7.202 21.394 ( 3.979 3.350 6.265) 8.143 21.637 ( 0.100 7.325 7.203) 10.274 22.046 ( -1.567 -2.260 -11.103) 11.438 23.376 ( 0.750 -1.283 -0.045) 1.487 23.438 ( 0.065 -2.863 -0.676) 2.943 ======================= Grid point 426 (213/225) ======================= q-point: ( 0.45 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 5.619 -8.076 -1.059) 9.896 1.939 ( -0.405 -1.889 -3.480) 3.980 1.985 ( 0.239 -0.980 -2.557) 2.749 2.096 ( -8.366 -1.122 0.761) 8.475 2.268 ( -3.156 1.292 -3.273) 4.727 2.883 ( 5.096 -3.660 2.006) 6.587 2.974 ( 2.596 -0.111 1.930) 3.236 3.338 ( 6.084 3.846 -0.207) 7.201 3.586 ( -0.171 2.139 -0.330) 2.171 3.811 ( 1.268 0.198 0.907) 1.571 3.959 ( -0.883 -2.301 0.542) 2.523 4.092 ( -0.818 -12.492 -1.512) 12.610 4.499 ( -0.360 12.889 0.462) 12.902 4.648 ( -4.621 9.378 -0.782) 10.484 5.026 ( -0.527 10.577 -0.869) 10.625 5.315 ( -0.421 -2.688 1.059) 2.919 5.864 ( 0.588 5.427 0.872) 5.528 6.190 ( -1.839 -8.501 2.235) 8.980 10.542 ( 2.055 11.454 1.768) 11.770 10.608 ( -0.897 6.526 -1.224) 6.700 11.041 ( 0.799 -1.898 0.749) 2.192 11.579 ( 0.904 -1.263 0.236) 1.571 12.593 ( 0.667 -6.110 0.743) 6.191 13.033 ( -0.916 -9.156 -2.140) 9.447 21.241 ( 0.844 5.778 -1.331) 5.989 21.443 ( -0.007 5.150 1.536) 5.374 21.730 ( 2.898 2.600 7.584) 8.525 21.938 ( -2.564 -3.324 -8.116) 9.138 23.402 ( 1.334 -1.614 0.254) 2.109 23.429 ( -0.543 -2.405 -0.438) 2.504 ======================= Grid point 432 (214/225) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.000 9.037 -0.000) 9.037 1.915 ( -0.000 4.997 0.000) 4.997 1.944 ( 0.000 11.868 -0.000) 11.868 2.051 ( -0.000 12.840 0.000) 12.840 2.291 ( 0.000 3.899 0.000) 3.899 2.759 ( -0.000 -1.455 0.000) 1.455 2.879 ( 0.000 -2.509 -0.000) 2.509 3.284 ( -0.000 7.423 -0.000) 7.423 3.335 ( -0.000 -12.021 0.000) 12.021 3.354 ( 0.000 9.863 0.000) 9.863 3.716 ( -0.000 0.278 0.000) 0.278 4.053 ( -0.000 -7.082 -0.000) 7.082 5.001 ( 0.000 8.368 0.000) 8.368 5.323 ( -0.000 2.550 0.000) 2.550 5.527 ( -0.000 15.194 0.000) 15.194 5.903 ( 0.000 3.954 0.000) 3.954 6.380 ( 1.356 -4.101 -3.352) 5.467 6.380 ( -1.356 1.126 3.352) 3.787 10.374 ( -0.000 -0.174 0.000) 0.174 10.447 ( 0.000 -1.757 0.000) 1.757 10.886 ( 0.000 -2.300 -0.000) 2.300 10.901 ( -0.000 -5.164 0.000) 5.164 12.759 ( -0.000 -2.489 0.000) 2.489 12.806 ( 0.000 -5.728 0.000) 5.728 20.766 ( 0.000 3.890 0.000) 3.890 21.120 ( -0.000 -6.323 0.000) 6.323 22.174 ( 0.000 13.884 0.000) 13.884 22.244 ( -0.000 17.221 0.000) 17.221 23.290 ( -0.000 -2.075 0.000) 2.075 23.646 ( -0.000 -5.894 0.000) 5.894 ======================= Grid point 434 (215/225) ======================= q-point: ( 0.09 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 2.793 8.117 -6.781) 10.939 1.901 ( 0.851 6.461 3.529) 7.411 2.024 ( 2.021 7.609 9.005) 11.961 2.122 ( 7.874 10.821 -5.815) 14.591 2.275 ( -1.010 6.543 1.844) 6.873 2.761 ( 0.012 -2.296 0.264) 2.311 2.919 ( 3.187 1.543 -3.141) 4.733 3.105 ( -5.426 6.020 -9.724) 12.658 3.402 ( 1.524 -8.644 0.909) 8.824 3.423 ( 1.853 -1.336 -2.642) 3.493 3.700 ( 1.492 3.632 1.737) 4.293 4.071 ( -0.849 -5.624 5.789) 8.116 4.963 ( -3.272 9.021 -0.627) 9.617 5.326 ( -0.237 1.008 -0.211) 1.057 5.491 ( -3.666 15.208 0.192) 15.645 5.831 ( -7.185 3.804 -0.030) 8.130 6.298 ( -8.585 -3.225 2.738) 9.571 6.358 ( -2.667 1.826 1.690) 3.647 10.393 ( 1.885 0.892 0.164) 2.092 10.482 ( 3.465 -1.388 -0.019) 3.732 10.856 ( -1.230 -1.602 2.610) 3.300 10.988 ( 6.820 -6.204 -1.879) 9.409 12.683 ( -4.468 -0.615 -0.058) 4.511 12.877 ( 4.090 -8.008 -0.971) 9.044 20.831 ( 5.886 3.772 1.989) 7.268 21.148 ( 3.081 -4.952 -0.921) 5.904 22.143 ( -4.001 15.990 1.679) 16.568 22.230 ( 0.030 12.858 -4.025) 13.474 23.305 ( 1.602 -2.350 -0.484) 2.885 23.589 ( -5.119 -5.317 -1.164) 7.472 ======================= Grid point 435 (216/225) ======================= q-point: ( 0.18 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 3.175 7.935 -9.454) 12.744 1.969 ( 3.244 3.280 -0.757) 4.675 2.137 ( 2.912 5.376 7.748) 9.870 2.157 ( 0.630 5.790 -0.818) 5.882 2.367 ( 8.603 10.267 -1.536) 13.483 2.747 ( -3.493 -1.869 2.485) 4.676 2.850 ( -0.690 7.476 -9.313) 11.962 3.145 ( 6.899 -4.826 -0.075) 8.420 3.205 ( -8.893 -1.268 -10.475) 13.799 3.563 ( 7.588 -12.396 1.078) 14.574 3.802 ( 4.788 5.836 4.893) 8.996 4.063 ( -3.306 -3.079 4.353) 6.273 4.889 ( -3.534 9.950 -0.296) 10.563 5.279 ( -5.007 -1.182 -1.343) 5.317 5.405 ( -4.450 14.181 0.262) 14.865 5.641 ( -11.559 3.062 -0.333) 11.962 6.118 ( -10.498 0.927 3.091) 10.983 6.306 ( -4.478 0.620 4.399) 6.308 10.448 ( 3.284 3.115 1.179) 4.678 10.573 ( 5.577 0.168 -0.206) 5.583 10.872 ( 1.081 -0.345 2.754) 2.979 11.133 ( 8.686 -7.627 -0.542) 11.572 12.605 ( -3.425 0.862 -0.329) 3.548 12.924 ( 1.665 -10.391 -2.548) 10.828 21.002 ( 9.512 3.170 3.128) 10.503 21.222 ( 4.845 -1.594 -0.775) 5.159 22.039 ( -7.645 15.524 2.693) 17.513 22.199 ( -0.323 6.746 -6.452) 9.340 23.338 ( 2.021 -2.787 -0.854) 3.547 23.463 ( -6.047 -3.750 -1.618) 7.297 ======================= Grid point 436 (217/225) ======================= q-point: ( 0.27 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -3.235 9.103 -9.466) 13.525 1.949 ( 0.557 3.911 -12.175) 12.799 2.138 ( 1.330 -0.040 -2.333) 2.686 2.324 ( 4.795 4.665 6.553) 9.365 2.434 ( -0.485 0.927 -0.128) 1.054 2.714 ( -5.978 -3.750 -2.971) 7.657 2.779 ( -0.137 4.577 0.549) 4.612 3.047 ( 5.729 0.119 -5.869) 8.202 3.351 ( 9.368 -1.735 2.913) 9.962 3.699 ( 5.261 -11.998 1.707) 13.212 3.890 ( 1.418 4.322 0.642) 4.594 4.013 ( -2.437 -1.121 1.220) 2.947 4.834 ( -2.285 11.120 0.691) 11.373 5.118 ( -9.443 1.864 -1.832) 9.798 5.328 ( -3.930 9.334 -0.907) 10.168 5.421 ( -9.925 0.840 0.906) 10.002 5.969 ( -6.297 3.601 3.586) 8.092 6.236 ( -5.584 -1.252 4.749) 7.436 10.530 ( 3.982 4.977 2.175) 6.735 10.680 ( 5.255 2.895 -0.456) 6.017 10.925 ( 2.463 0.799 2.742) 3.771 11.307 ( 8.591 -7.194 0.976) 11.248 12.545 ( -2.411 0.440 -0.568) 2.516 12.914 ( -0.504 -11.233 -4.011) 11.938 21.205 ( 9.006 2.556 0.895) 9.405 21.323 ( 5.204 1.765 2.239) 5.934 21.897 ( -8.284 11.678 3.266) 14.686 22.126 ( -3.011 1.474 -7.433) 8.154 23.367 ( -2.175 -1.773 -0.854) 2.933 23.368 ( 1.162 -3.026 -1.280) 3.485 ======================= Grid point 437 (218/225) ======================= q-point: ( 0.36 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -5.393 4.649 -9.586) 11.941 1.916 ( 2.809 0.758 -10.726) 11.114 2.106 ( -5.679 -1.775 -4.153) 7.256 2.155 ( -12.649 -6.087 -3.922) 14.576 2.504 ( -6.578 4.204 -1.221) 7.902 2.615 ( 9.831 -4.131 4.649) 11.633 2.906 ( 6.102 4.556 3.350) 8.320 3.217 ( 10.426 1.711 0.409) 10.574 3.525 ( 6.192 -0.981 3.090) 6.990 3.781 ( 2.099 -9.878 1.340) 10.187 3.871 ( -1.360 0.883 -1.338) 2.103 3.986 ( -1.250 -1.374 -2.468) 3.089 4.798 ( -2.349 12.810 1.040) 13.065 4.935 ( -7.380 5.794 -1.040) 9.440 5.235 ( -3.280 5.124 -2.582) 6.609 5.301 ( -4.533 -0.677 3.140) 5.555 5.919 ( -1.122 3.263 3.163) 4.680 6.147 ( -5.868 -2.809 3.252) 7.273 10.621 ( 3.721 5.617 2.329) 7.129 10.759 ( 3.059 5.616 -0.658) 6.429 10.992 ( 2.614 2.486 2.245) 4.249 11.459 ( 5.928 -5.073 1.373) 7.923 12.506 ( -1.290 -1.516 -0.396) 2.030 12.870 ( -1.205 -11.139 -3.971) 11.887 21.325 ( 4.241 4.650 -2.870) 6.917 21.455 ( 4.995 2.145 5.532) 7.756 21.781 ( -5.256 6.812 4.265) 9.603 22.002 ( -4.671 -2.072 -7.606) 9.163 23.350 ( 0.777 -1.211 -0.503) 1.525 23.383 ( 0.684 -2.457 -0.763) 2.662 ======================= Grid point 438 (219/225) ======================= q-point: ( 0.45 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.369 -3.483 -3.078) 4.663 1.825 ( -9.583 -10.117 -5.322) 14.917 1.934 ( 3.522 -1.471 -5.313) 6.542 2.021 ( -5.927 -3.892 1.751) 7.303 2.426 ( -1.396 9.877 -0.573) 9.991 2.793 ( 4.818 -5.227 2.110) 7.415 3.005 ( 2.261 3.902 1.156) 4.655 3.390 ( 5.321 0.667 1.296) 5.517 3.616 ( 1.737 1.037 1.330) 2.421 3.801 ( 0.181 -5.182 0.702) 5.233 3.860 ( 0.190 -5.099 0.217) 5.107 3.925 ( -2.162 -2.284 -3.484) 4.694 4.750 ( -2.154 12.035 0.269) 12.229 4.849 ( -1.573 10.471 0.018) 10.589 5.193 ( -0.221 4.848 -1.313) 5.027 5.253 ( -1.898 -3.317 1.704) 4.184 5.947 ( 1.919 2.655 1.444) 3.580 6.056 ( -4.194 -4.126 0.954) 5.960 10.690 ( 1.828 4.994 1.217) 5.456 10.790 ( 0.634 7.620 -0.520) 7.664 11.041 ( 1.181 4.112 0.915) 4.375 11.543 ( 1.974 -3.009 0.567) 3.644 12.490 ( -0.309 -3.491 -0.054) 3.505 12.833 ( -0.588 -10.875 -1.729) 11.027 21.360 ( 1.073 6.196 -1.331) 6.427 21.538 ( 0.994 3.754 2.034) 4.384 21.770 ( 0.962 1.285 6.084) 6.292 21.872 ( -3.851 -2.992 -7.035) 8.560 23.371 ( 1.114 -1.422 0.010) 1.807 23.385 ( -0.176 -1.925 -0.417) 1.978 ======================= Grid point 444 (220/225) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 0.000 5.208 -0.000) 5.208 1.953 ( -0.000 -0.727 0.000) 0.727 2.155 ( -0.000 8.443 -0.000) 8.443 2.225 ( 0.000 2.507 0.000) 2.507 2.415 ( 0.000 9.753 0.000) 9.753 2.627 ( -0.000 -10.258 0.000) 10.258 2.902 ( -0.000 5.015 -0.000) 5.015 3.073 ( -0.000 -11.961 0.000) 11.961 3.444 ( -0.000 7.405 -0.000) 7.405 3.517 ( 0.000 2.203 0.000) 2.203 3.745 ( -0.000 4.936 0.000) 4.936 3.898 ( -0.000 -8.653 -0.000) 8.653 5.167 ( 0.000 7.960 0.000) 7.960 5.292 ( -0.000 -4.420 -0.000) 4.420 5.837 ( -0.000 13.047 0.000) 13.047 5.955 ( 0.000 0.310 0.000) 0.310 6.290 ( 0.000 -2.034 0.000) 2.034 6.339 ( -0.000 -5.247 0.000) 5.247 10.384 ( -0.000 1.159 0.000) 1.159 10.414 ( 0.000 -1.713 0.000) 1.713 10.835 ( 0.000 -1.297 -0.000) 1.297 10.843 ( -0.000 -1.742 0.000) 1.742 12.725 ( -0.000 -0.866 0.000) 0.866 12.733 ( 0.000 -1.859 0.000) 1.859 20.865 ( 0.000 5.972 0.000) 5.972 20.991 ( -0.000 -6.665 0.000) 6.665 22.399 ( 0.000 8.383 0.000) 8.383 22.460 ( -0.000 3.537 0.000) 3.537 23.322 ( -0.000 5.962 0.000) 5.962 23.490 ( -0.000 -9.461 0.000) 9.461 ======================= Grid point 446 (221/225) ======================= q-point: ( 0.09 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 1.537 4.883 -5.351) 7.406 1.949 ( 1.016 -0.824 -2.678) 2.980 2.185 ( 0.226 7.102 8.338) 10.955 2.246 ( 0.612 1.449 2.771) 3.187 2.449 ( 3.840 10.337 -0.213) 11.029 2.645 ( 1.338 -8.887 1.659) 9.139 2.964 ( 5.868 5.448 -0.483) 8.022 3.144 ( 5.429 -11.726 1.072) 12.967 3.276 ( -8.254 8.212 -12.311) 16.945 3.407 ( -8.780 -4.181 -9.835) 13.831 3.811 ( 3.877 7.146 5.837) 10.009 3.952 ( 1.801 -6.738 6.133) 9.287 5.140 ( -2.526 8.477 -0.238) 8.848 5.276 ( -1.795 -5.043 -0.094) 5.353 5.777 ( -5.919 11.173 -0.496) 12.654 5.879 ( -7.423 0.036 -0.501) 7.440 6.251 ( -4.456 0.185 2.463) 5.095 6.320 ( -2.761 -4.882 2.579) 6.173 10.420 ( 3.389 1.705 0.439) 3.819 10.454 ( 3.935 -1.608 0.127) 4.253 10.843 ( 1.022 0.588 1.587) 1.977 10.887 ( 3.971 -3.854 -0.391) 5.548 12.692 ( -1.823 1.726 -0.645) 2.592 12.754 ( 1.125 -4.626 -1.224) 4.916 20.924 ( 5.591 5.513 0.865) 7.899 21.039 ( 4.791 -5.939 -0.227) 7.633 22.373 ( -2.892 7.527 -0.089) 8.064 22.416 ( -4.233 4.036 -0.917) 5.920 23.318 ( -0.024 4.273 -0.742) 4.337 23.452 ( -3.201 -8.004 -1.011) 8.680 ======================= Grid point 447 (222/225) ======================= q-point: ( 0.18 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 3.356 4.964 -8.054) 10.039 1.971 ( 3.237 -2.227 -4.948) 6.319 2.254 ( 0.236 4.555 4.967) 6.743 2.262 ( 0.695 3.526 5.531) 6.596 2.538 ( 3.408 7.462 -1.751) 8.388 2.677 ( -0.670 -5.988 2.251) 6.432 2.988 ( -6.290 6.848 -6.570) 11.385 3.073 ( -4.757 -1.611 -6.893) 8.529 3.197 ( 2.206 0.427 -4.773) 5.275 3.310 ( 7.981 -11.470 0.200) 13.975 3.916 ( 3.323 5.369 4.054) 7.503 4.004 ( 0.180 -3.527 4.003) 5.338 5.076 ( -3.539 8.668 -0.248) 9.366 5.215 ( -4.270 -5.294 -0.589) 6.827 5.618 ( -9.476 6.959 -0.159) 11.758 5.681 ( -11.752 0.135 -0.876) 11.785 6.161 ( -6.234 4.321 3.570) 8.383 6.264 ( -4.917 -4.683 3.853) 7.808 10.510 ( 5.082 3.068 1.257) 6.068 10.559 ( 6.349 -1.679 0.411) 6.580 10.898 ( 3.549 3.147 2.061) 5.171 10.993 ( 6.891 -6.313 0.698) 9.371 12.648 ( -2.132 3.692 -1.502) 4.520 12.753 ( -0.201 -7.033 -2.411) 7.438 21.077 ( 8.923 4.319 1.361) 10.006 21.162 ( 7.582 -4.063 -0.015) 8.602 22.266 ( -8.603 6.802 0.827) 10.998 22.301 ( -6.026 2.648 -2.772) 7.143 23.317 ( 0.606 1.060 -1.161) 1.685 23.377 ( -3.084 -4.424 -1.426) 5.579 ======================= Grid point 448 (223/225) ======================= q-point: ( 0.27 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -0.648 6.494 -9.333) 11.388 1.975 ( 0.571 -1.892 -9.815) 10.012 2.195 ( -3.927 6.614 -7.301) 10.605 2.348 ( -1.521 -6.796 -1.711) 7.171 2.450 ( -5.985 6.120 2.140) 8.823 2.589 ( -7.457 -7.493 1.615) 10.694 2.926 ( 3.753 8.475 1.284) 9.357 3.040 ( 6.315 -2.300 -0.913) 6.782 3.348 ( 9.079 1.905 1.591) 9.412 3.461 ( 6.870 -10.022 1.364) 12.227 3.968 ( 0.087 3.036 -0.155) 3.041 4.004 ( -1.277 -0.765 0.480) 1.564 5.017 ( -2.230 7.242 0.397) 7.588 5.113 ( -5.324 -2.539 -0.862) 5.961 5.435 ( -9.334 2.087 1.535) 9.686 5.446 ( -10.967 1.100 -0.940) 11.062 6.066 ( -5.433 6.149 3.451) 8.901 6.180 ( -5.802 -4.638 3.522) 8.220 10.619 ( 4.890 4.075 1.718) 6.593 10.684 ( 5.727 -2.206 0.661) 6.173 11.004 ( 5.818 6.765 2.432) 9.248 11.155 ( 8.607 -8.045 1.862) 11.928 12.591 ( -2.516 4.417 -2.117) 5.507 12.718 ( -1.439 -8.405 -3.303) 9.145 21.263 ( 8.896 3.143 0.688) 9.460 21.317 ( 7.663 -1.958 0.977) 7.969 22.077 ( -10.469 6.273 0.573) 12.218 22.142 ( -8.423 -0.637 -2.968) 8.953 23.328 ( 0.947 -0.869 -1.312) 1.837 23.334 ( -0.317 -1.309 -1.048) 1.706 ======================= Grid point 449 (224/225) ======================= q-point: ( 0.36 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -10.354 8.911 -11.687) 17.978 1.874 ( -5.647 -6.539 -13.048) 15.650 2.051 ( -12.215 -2.057 -5.763) 13.662 2.063 ( -5.505 -2.025 -5.494) 8.037 2.546 ( 1.750 0.855 2.973) 3.554 2.567 ( 5.171 -1.377 6.188) 8.181 3.048 ( 5.744 8.981 2.113) 10.868 3.198 ( 7.746 -4.669 2.248) 9.319 3.521 ( 6.860 0.867 2.711) 7.427 3.587 ( 5.044 -6.886 1.509) 8.668 3.921 ( -2.766 2.612 -2.949) 4.814 3.963 ( -2.649 -1.555 -2.693) 4.086 4.991 ( -1.758 6.146 1.011) 6.472 5.026 ( -2.212 2.472 -0.168) 3.322 5.259 ( -7.313 0.698 0.208) 7.349 5.297 ( -6.069 -1.713 1.393) 6.458 6.001 ( -3.030 4.898 2.677) 6.351 6.089 ( -5.070 -3.661 2.241) 6.643 10.713 ( 3.659 4.026 1.495) 5.642 10.779 ( 3.477 -2.312 0.583) 4.216 11.135 ( 5.659 10.172 2.241) 11.854 11.327 ( 7.144 -8.531 2.058) 11.315 12.531 ( -2.261 4.254 -1.976) 5.207 12.666 ( -1.696 -9.124 -3.106) 9.787 21.408 ( 5.802 3.710 -0.908) 6.947 21.462 ( 5.990 -1.446 2.184) 6.538 21.893 ( -8.218 4.554 0.871) 9.436 21.961 ( -7.802 -2.463 -2.793) 8.645 23.335 ( 1.068 -0.169 -0.762) 1.323 23.346 ( 1.065 -1.290 -0.788) 1.849 ======================= Grid point 450 (225/225) ======================= q-point: ( 0.45 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 6.24e-05 6.24e-05 Number of triplets: 397 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -5.083 3.867 -5.006) 8.115 1.618 ( -8.351 -9.647 -6.183) 14.179 1.926 ( -0.848 0.643 -2.860) 3.052 1.958 ( -3.254 -2.498 -0.819) 4.184 2.584 ( 0.999 6.197 1.020) 6.360 2.690 ( 3.245 -5.106 1.807) 6.314 3.138 ( 2.273 9.298 0.799) 9.605 3.323 ( 3.298 -7.772 1.368) 8.553 3.632 ( 2.749 0.755 1.866) 3.407 3.667 ( 2.113 -3.902 0.939) 4.535 3.860 ( -1.376 1.219 -1.910) 2.651 3.888 ( -2.323 -1.635 -2.446) 3.749 4.954 ( -1.385 8.421 0.379) 8.542 5.021 ( 0.209 4.729 0.322) 4.744 5.171 ( -1.987 -1.941 0.120) 2.780 5.219 ( -2.385 -3.134 0.648) 3.991 5.983 ( 0.017 1.850 1.301) 2.262 6.017 ( -2.942 -1.287 0.503) 3.250 10.771 ( 1.459 3.447 0.635) 3.797 10.825 ( 1.096 -1.772 0.196) 2.093 11.227 ( 2.337 11.999 0.963) 12.262 11.435 ( 2.746 -8.292 0.893) 8.781 12.489 ( -0.936 3.791 -0.820) 3.990 12.627 ( -0.759 -9.482 -1.326) 9.605 21.477 ( 1.908 5.502 -0.665) 5.861 21.559 ( 2.478 -2.038 1.173) 3.416 21.791 ( -2.499 1.484 1.281) 3.176 21.827 ( -3.927 -1.873 -2.055) 4.812 23.352 ( 0.749 -0.385 -0.208) 0.867 23.357 ( 0.327 -0.883 -0.323) 0.995 =================== 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 3/23760 10.0 375.609 314.595 328.296 0.000 108.640 0.000 3/23760 20.0 79.630 56.160 65.267 0.000 19.893 0.000 3/23760 30.0 34.149 23.825 26.874 0.000 7.961 0.000 3/23760 40.0 20.343 14.348 15.603 0.000 4.594 0.000 3/23760 50.0 14.152 10.132 10.702 0.000 3.133 0.000 3/23760 60.0 10.784 7.831 8.083 0.000 2.353 0.000 3/23760 70.0 8.712 6.404 6.490 0.000 1.879 0.000 3/23760 80.0 7.321 5.436 5.430 0.000 1.565 0.000 3/23760 90.0 6.326 4.737 4.677 0.000 1.342 0.000 3/23760 100.0 5.581 4.210 4.117 0.000 1.175 0.000 3/23760 110.0 5.002 3.799 3.685 0.000 1.045 0.000 3/23760 120.0 4.540 3.470 3.342 0.000 0.942 0.000 3/23760 130.0 4.163 3.201 3.065 0.000 0.856 0.000 3/23760 140.0 3.850 2.977 2.836 0.000 0.784 0.000 3/23760 150.0 3.586 2.789 2.644 0.000 0.723 0.000 3/23760 160.0 3.360 2.629 2.482 0.000 0.670 0.000 3/23760 170.0 3.165 2.490 2.343 0.000 0.623 0.000 3/23760 180.0 2.996 2.370 2.223 0.000 0.582 0.000 3/23760 190.0 2.846 2.264 2.118 0.000 0.545 0.000 3/23760 200.0 2.714 2.170 2.026 0.000 0.512 0.000 3/23760 210.0 2.595 2.086 1.943 0.000 0.482 0.000 3/23760 220.0 2.488 2.011 1.870 0.000 0.455 0.000 3/23760 230.0 2.391 1.942 1.803 0.000 0.430 0.000 3/23760 240.0 2.303 1.880 1.743 0.000 0.408 0.000 3/23760 250.0 2.222 1.822 1.688 0.000 0.387 0.000 3/23760 260.0 2.148 1.769 1.637 0.000 0.368 0.000 3/23760 270.0 2.079 1.720 1.590 0.000 0.350 0.000 3/23760 280.0 2.015 1.673 1.546 0.000 0.334 0.000 3/23760 290.0 1.955 1.630 1.506 0.000 0.319 0.000 3/23760 300.0 1.899 1.590 1.467 0.000 0.305 0.000 3/23760 310.0 1.847 1.551 1.431 0.000 0.292 0.000 3/23760 320.0 1.797 1.515 1.397 0.000 0.279 0.000 3/23760 330.0 1.751 1.480 1.365 0.000 0.268 0.000 3/23760 340.0 1.707 1.448 1.335 0.000 0.258 0.000 3/23760 350.0 1.665 1.416 1.306 0.000 0.248 0.000 3/23760 360.0 1.625 1.386 1.278 0.000 0.239 0.000 3/23760 370.0 1.588 1.358 1.251 0.000 0.230 0.000 3/23760 380.0 1.552 1.330 1.226 0.000 0.222 0.000 3/23760 390.0 1.517 1.304 1.202 0.000 0.214 0.000 3/23760 400.0 1.485 1.279 1.178 0.000 0.207 0.000 3/23760 410.0 1.453 1.255 1.156 0.000 0.201 0.000 3/23760 420.0 1.423 1.231 1.134 0.000 0.194 0.000 3/23760 430.0 1.394 1.209 1.113 0.000 0.188 0.000 3/23760 440.0 1.367 1.187 1.093 0.000 0.182 0.000 3/23760 450.0 1.340 1.166 1.074 0.000 0.177 0.000 3/23760 460.0 1.315 1.146 1.055 0.000 0.172 0.000 3/23760 470.0 1.290 1.126 1.037 0.000 0.167 0.000 3/23760 480.0 1.266 1.107 1.020 0.000 0.163 0.000 3/23760 490.0 1.244 1.089 1.003 0.000 0.158 0.000 3/23760 500.0 1.221 1.071 0.986 0.000 0.154 0.000 3/23760 510.0 1.200 1.054 0.971 0.000 0.150 0.000 3/23760 520.0 1.180 1.037 0.955 0.000 0.146 0.000 3/23760 530.0 1.160 1.021 0.940 0.000 0.143 0.000 3/23760 540.0 1.141 1.005 0.926 0.000 0.139 0.000 3/23760 550.0 1.122 0.989 0.912 0.000 0.136 0.000 3/23760 560.0 1.104 0.975 0.898 0.000 0.133 0.000 3/23760 570.0 1.086 0.960 0.885 0.000 0.130 0.000 3/23760 580.0 1.070 0.946 0.872 0.000 0.127 0.000 3/23760 590.0 1.053 0.933 0.859 0.000 0.125 0.000 3/23760 600.0 1.037 0.919 0.847 0.000 0.122 0.000 3/23760 610.0 1.022 0.906 0.835 0.000 0.119 0.000 3/23760 620.0 1.007 0.894 0.824 0.000 0.117 0.000 3/23760 630.0 0.992 0.881 0.812 0.000 0.115 0.000 3/23760 640.0 0.978 0.870 0.801 0.000 0.112 0.000 3/23760 650.0 0.964 0.858 0.791 0.000 0.110 0.000 3/23760 660.0 0.951 0.847 0.780 0.000 0.108 0.000 3/23760 670.0 0.938 0.836 0.770 0.000 0.106 0.000 3/23760 680.0 0.925 0.825 0.760 0.000 0.104 0.000 3/23760 690.0 0.913 0.814 0.751 0.000 0.102 0.000 3/23760 700.0 0.901 0.804 0.741 0.000 0.101 0.000 3/23760 710.0 0.889 0.794 0.732 0.000 0.099 0.000 3/23760 720.0 0.877 0.784 0.723 0.000 0.097 0.000 3/23760 730.0 0.866 0.775 0.714 0.000 0.096 0.000 3/23760 740.0 0.855 0.765 0.706 0.000 0.094 0.000 3/23760 750.0 0.845 0.756 0.697 0.000 0.092 0.000 3/23760 760.0 0.834 0.747 0.689 0.000 0.091 0.000 3/23760 770.0 0.824 0.739 0.681 0.000 0.090 0.000 3/23760 780.0 0.814 0.730 0.673 0.000 0.088 0.000 3/23760 790.0 0.805 0.722 0.665 0.000 0.087 0.000 3/23760 800.0 0.795 0.714 0.658 0.000 0.086 0.000 3/23760 810.0 0.786 0.706 0.651 0.000 0.084 0.000 3/23760 820.0 0.777 0.698 0.643 0.000 0.083 0.000 3/23760 830.0 0.768 0.690 0.636 0.000 0.082 0.000 3/23760 840.0 0.760 0.683 0.630 0.000 0.081 0.000 3/23760 850.0 0.751 0.675 0.623 0.000 0.080 0.000 3/23760 860.0 0.743 0.668 0.616 0.000 0.078 0.000 3/23760 870.0 0.735 0.661 0.610 0.000 0.077 0.000 3/23760 880.0 0.727 0.654 0.603 0.000 0.076 0.000 3/23760 890.0 0.719 0.648 0.597 0.000 0.075 0.000 3/23760 900.0 0.712 0.641 0.591 0.000 0.074 0.000 3/23760 910.0 0.704 0.634 0.585 0.000 0.073 0.000 3/23760 920.0 0.697 0.628 0.579 0.000 0.073 0.000 3/23760 930.0 0.690 0.622 0.574 0.000 0.072 0.000 3/23760 940.0 0.683 0.616 0.568 0.000 0.071 0.000 3/23760 950.0 0.676 0.610 0.562 0.000 0.070 0.000 3/23760 960.0 0.670 0.604 0.557 0.000 0.069 0.000 3/23760 970.0 0.663 0.598 0.552 0.000 0.068 0.000 3/23760 980.0 0.657 0.592 0.546 0.000 0.067 0.000 3/23760 990.0 0.650 0.587 0.541 0.000 0.067 0.000 3/23760 1000.0 0.644 0.581 0.536 0.000 0.066 0.000 3/23760 Thermal conductivity related properties were written into "kappa-m1198.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:13:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|