----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:28:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.853012229967175 0.000000000000000 0.000000000000000 b -2.426506114983587 4.202831876028141 0.000000000000000 c 0.000000000000000 0.000000000000000 9.208404870000001 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *2 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 *3 P 0.33333333333333 0.66666666666667 0.30985890255794 30.974 4 P 0.66666666666667 0.33333333333333 0.69014109744206 30.974 *5 O 0.66666666666667 0.33333333333333 0.85175517301989 15.999 *6 O 0.65037695590655 0.70126274966372 0.37227062005279 15.999 7 O 0.29873725033628 0.94911420624283 0.37227062005279 15.999 8 O 0.33333333333333 0.66666666666667 0.14824482698011 15.999 9 O 0.70126274966372 0.05088579375717 0.62772937994721 15.999 10 O 0.34962304409345 0.29873725033628 0.62772937994721 15.999 11 O 0.94911420624283 0.65037695590655 0.62772937994721 15.999 12 O 0.05088579375717 0.34962304409345 0.37227062005279 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.853012229967175 0.000000000000000 0.000000000000000 b -2.426506114983587 4.202831876028141 0.000000000000000 c 0.000000000000000 0.000000000000000 9.208404870000001 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 *2 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 2 *3 P 0.33333333333333 0.66666666666667 0.30985890255794 30.974 > 3 4 P 0.66666666666667 0.33333333333333 0.69014109744206 30.974 > 4 *5 O 0.66666666666667 0.33333333333333 0.85175517301989 15.999 > 5 *6 O 0.65037695590655 0.70126274966372 0.37227062005279 15.999 > 6 7 O 0.29873725033628 0.94911420624283 0.37227062005279 15.999 > 7 8 O 0.33333333333333 0.66666666666667 0.14824482698011 15.999 > 8 9 O 0.70126274966372 0.05088579375717 0.62772937994721 15.999 > 9 10 O 0.34962304409345 0.29873725033628 0.62772937994721 15.999 > 10 11 O 0.94911420624283 0.65037695590655 0.62772937994721 15.999 > 11 12 O 0.05088579375717 0.34962304409345 0.37227062005279 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.706024459934349 0.000000000000000 0.000000000000000 b -4.853012229967174 8.405663752056283 0.000000000000000 c 0.000000000000000 0.000000000000000 18.416809740000001 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.50000000000000 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.00000000000000 0.50000000000000 0.00000000000000 132.905 > 1 4 Cs 0.50000000000000 0.50000000000000 0.00000000000000 132.905 > 1 5 Cs 0.00000000000000 0.00000000000000 0.50000000000000 132.905 > 1 6 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 > 1 7 Cs 0.00000000000000 0.50000000000000 0.50000000000000 132.905 > 1 8 Cs 0.50000000000000 0.50000000000000 0.50000000000000 132.905 > 1 *9 Sb 0.00000000000000 0.00000000000000 0.25000000000000 121.760 > 2 10 Sb 0.50000000000000 0.00000000000000 0.25000000000000 121.760 > 2 11 Sb 0.00000000000000 0.50000000000000 0.25000000000000 121.760 > 2 12 Sb 0.50000000000000 0.50000000000000 0.25000000000000 121.760 > 2 13 Sb 0.00000000000000 0.00000000000000 0.75000000000000 121.760 > 2 14 Sb 0.50000000000000 0.00000000000000 0.75000000000000 121.760 > 2 15 Sb 0.00000000000000 0.50000000000000 0.75000000000000 121.760 > 2 16 Sb 0.50000000000000 0.50000000000000 0.75000000000000 121.760 > 2 *17 P 0.16666666666667 0.33333333333333 0.15492945127897 30.974 > 3 18 P 0.66666666666667 0.33333333333333 0.15492945127897 30.974 > 3 19 P 0.16666666666667 0.83333333333333 0.15492945127897 30.974 > 3 20 P 0.66666666666667 0.83333333333333 0.15492945127897 30.974 > 3 21 P 0.16666666666667 0.33333333333333 0.65492945127897 30.974 > 3 22 P 0.66666666666667 0.33333333333333 0.65492945127897 30.974 > 3 23 P 0.16666666666667 0.83333333333333 0.65492945127897 30.974 > 3 24 P 0.66666666666667 0.83333333333333 0.65492945127897 30.974 > 3 25 P 0.33333333333333 0.16666666666667 0.34507054872103 30.974 > 4 26 P 0.83333333333333 0.16666666666667 0.34507054872103 30.974 > 4 27 P 0.33333333333333 0.66666666666667 0.34507054872103 30.974 > 4 28 P 0.83333333333333 0.66666666666667 0.34507054872103 30.974 > 4 29 P 0.33333333333333 0.16666666666667 0.84507054872103 30.974 > 4 30 P 0.83333333333333 0.16666666666667 0.84507054872103 30.974 > 4 31 P 0.33333333333333 0.66666666666667 0.84507054872103 30.974 > 4 32 P 0.83333333333333 0.66666666666667 0.84507054872103 30.974 > 4 *33 O 0.33333333333333 0.16666666666667 0.42587758650994 15.999 > 5 34 O 0.83333333333333 0.16666666666667 0.42587758650994 15.999 > 5 35 O 0.33333333333333 0.66666666666667 0.42587758650994 15.999 > 5 36 O 0.83333333333333 0.66666666666667 0.42587758650994 15.999 > 5 37 O 0.33333333333333 0.16666666666667 0.92587758650994 15.999 > 5 38 O 0.83333333333333 0.16666666666667 0.92587758650994 15.999 > 5 39 O 0.33333333333333 0.66666666666667 0.92587758650994 15.999 > 5 40 O 0.83333333333333 0.66666666666667 0.92587758650994 15.999 > 5 *41 O 0.32518847795327 0.35063137483186 0.18613531002639 15.999 > 6 42 O 0.82518847795327 0.35063137483186 0.18613531002639 15.999 > 6 43 O 0.32518847795327 0.85063137483186 0.18613531002639 15.999 > 6 44 O 0.82518847795327 0.85063137483186 0.18613531002639 15.999 > 6 45 O 0.32518847795327 0.35063137483186 0.68613531002639 15.999 > 6 46 O 0.82518847795327 0.35063137483186 0.68613531002639 15.999 > 6 47 O 0.32518847795327 0.85063137483186 0.68613531002639 15.999 > 6 48 O 0.82518847795327 0.85063137483186 0.68613531002639 15.999 > 6 49 O 0.14936862516814 0.47455710312142 0.18613531002639 15.999 > 7 50 O 0.64936862516814 0.47455710312142 0.18613531002639 15.999 > 7 51 O 0.14936862516814 0.97455710312142 0.18613531002639 15.999 > 7 52 O 0.64936862516814 0.97455710312142 0.18613531002639 15.999 > 7 53 O 0.14936862516814 0.47455710312142 0.68613531002639 15.999 > 7 54 O 0.64936862516814 0.47455710312142 0.68613531002639 15.999 > 7 55 O 0.14936862516814 0.97455710312142 0.68613531002639 15.999 > 7 56 O 0.64936862516814 0.97455710312142 0.68613531002639 15.999 > 7 57 O 0.16666666666667 0.33333333333333 0.07412241349006 15.999 > 8 58 O 0.66666666666667 0.33333333333333 0.07412241349006 15.999 > 8 59 O 0.16666666666667 0.83333333333333 0.07412241349006 15.999 > 8 60 O 0.66666666666667 0.83333333333333 0.07412241349006 15.999 > 8 61 O 0.16666666666667 0.33333333333333 0.57412241349006 15.999 > 8 62 O 0.66666666666667 0.33333333333333 0.57412241349006 15.999 > 8 63 O 0.16666666666667 0.83333333333333 0.57412241349006 15.999 > 8 64 O 0.66666666666667 0.83333333333333 0.57412241349006 15.999 > 8 65 O 0.35063137483186 0.02544289687858 0.31386468997361 15.999 > 9 66 O 0.85063137483186 0.02544289687858 0.31386468997361 15.999 > 9 67 O 0.35063137483186 0.52544289687858 0.31386468997361 15.999 > 9 68 O 0.85063137483186 0.52544289687858 0.31386468997361 15.999 > 9 69 O 0.35063137483186 0.02544289687858 0.81386468997361 15.999 > 9 70 O 0.85063137483186 0.02544289687858 0.81386468997361 15.999 > 9 71 O 0.35063137483186 0.52544289687858 0.81386468997361 15.999 > 9 72 O 0.85063137483186 0.52544289687858 0.81386468997361 15.999 > 9 73 O 0.17481152204673 0.14936862516814 0.31386468997361 15.999 > 10 74 O 0.67481152204673 0.14936862516814 0.31386468997361 15.999 > 10 75 O 0.17481152204673 0.64936862516814 0.31386468997361 15.999 > 10 76 O 0.67481152204673 0.64936862516814 0.31386468997361 15.999 > 10 77 O 0.17481152204673 0.14936862516814 0.81386468997361 15.999 > 10 78 O 0.67481152204673 0.14936862516814 0.81386468997361 15.999 > 10 79 O 0.17481152204673 0.64936862516814 0.81386468997361 15.999 > 10 80 O 0.67481152204673 0.64936862516814 0.81386468997361 15.999 > 10 81 O 0.47455710312142 0.32518847795327 0.31386468997361 15.999 > 11 82 O 0.97455710312142 0.32518847795327 0.31386468997361 15.999 > 11 83 O 0.47455710312142 0.82518847795327 0.31386468997361 15.999 > 11 84 O 0.97455710312142 0.82518847795327 0.31386468997361 15.999 > 11 85 O 0.47455710312142 0.32518847795327 0.81386468997361 15.999 > 11 86 O 0.97455710312142 0.32518847795327 0.81386468997361 15.999 > 11 87 O 0.47455710312142 0.82518847795327 0.81386468997361 15.999 > 11 88 O 0.97455710312142 0.82518847795327 0.81386468997361 15.999 > 11 89 O 0.02544289687858 0.17481152204673 0.18613531002639 15.999 > 12 90 O 0.52544289687858 0.17481152204673 0.18613531002639 15.999 > 12 91 O 0.02544289687858 0.67481152204673 0.18613531002639 15.999 > 12 92 O 0.52544289687858 0.67481152204673 0.18613531002639 15.999 > 12 93 O 0.02544289687858 0.17481152204673 0.68613531002639 15.999 > 12 94 O 0.52544289687858 0.17481152204673 0.68613531002639 15.999 > 12 95 O 0.02544289687858 0.67481152204673 0.68613531002639 15.999 > 12 96 O 0.52544289687858 0.67481152204673 0.68613531002639 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8195544 0.0000000 0.0000000 -0.0000000 2.8195544 0.0000000 0.0000000 0.0000000 2.8319499 -------------------------- Born effective charges -------------------------- 1 Cs 1.3178574 0.0089092 -0.0000000 -0.0089092 1.3178574 0.0000000 0.0000000 0.0000000 1.5297489 2 Sb 5.1896834 0.7430142 -0.0000000 -0.7430142 5.1896834 0.0000000 0.0000000 0.0000000 3.6279053 3 P 3.6758935 -0.8065809 -0.0000000 0.8065809 3.6758935 0.0000000 0.0000000 0.0000000 3.1418156 4 P 3.6758935 -0.8065809 -0.0000000 0.8065809 3.6758935 0.0000000 0.0000000 0.0000000 3.1418156 5 O -1.1842809 0.0806554 -0.0000000 -0.0806554 -1.1842809 0.0000000 0.0000000 0.0000000 -1.9870273 6 O -2.5037101 -0.3880422 -0.7081279 -0.6213514 -1.3265452 -0.3584036 -0.6718890 -0.2586294 -1.2445385 7 O -2.0579167 0.8787304 0.6644505 0.6454211 -1.7723386 -0.4340550 0.5599241 -0.4525582 -1.2445385 8 O -1.1842809 0.0806554 -0.0000000 -0.0806554 -1.1842809 0.0000000 0.0000000 0.0000000 -1.9870273 9 O -2.0579167 0.8787304 0.6644505 0.6454211 -1.7723386 -0.4340550 0.5599241 -0.4525582 -1.2445385 10 O -2.5037101 -0.3880422 -0.7081279 -0.6213514 -1.3265452 -0.3584036 -0.6718890 -0.2586294 -1.2445385 11 O -1.1837562 -0.1407243 0.0436774 -0.3740336 -2.6464991 0.7924585 0.1119649 0.7111876 -1.2445385 12 O -1.1837562 -0.1407243 0.0436774 -0.3740336 -2.6464991 0.7924585 0.1119649 0.7111876 -1.2445385 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 924 Number of blocks in projector: 450 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 364 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 130 Use standard eigh solver. Tree of FC basis block matrices: - (924, 904), data: False |-- (130, 125), data: True |-- (364, 360), data: True |-- (430, 419), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.015 Solver_block: 100 / 240 - Time: 1.009 Solver_block: 200 / 240 - Time: 0.957 Solver_block: 240 / 240 - Time: 0.423 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.539 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yx) -0.00000000 (yx) Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 924 Number of blocks in projector: 450 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 364 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 130 Use standard eigh solver. Tree of FC basis block matrices: - (924, 904), data: False |-- (130, 125), data: True |-- (364, 360), data: True |-- (430, 419), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:29:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:29:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.853012229967175 0.000000000000000 0.000000000000000 b -2.426506114983587 4.202831876028141 0.000000000000000 c 0.000000000000000 0.000000000000000 9.208404870000001 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 3 P 0.33333333333333 0.66666666666667 0.30985890255794 30.974 4 P 0.66666666666667 0.33333333333333 0.69014109744206 30.974 5 O 0.66666666666667 0.33333333333333 0.85175517301989 15.999 6 O 0.65037695590655 0.70126274966372 0.37227062005279 15.999 7 O 0.29873725033628 0.94911420624283 0.37227062005279 15.999 8 O 0.33333333333333 0.66666666666667 0.14824482698011 15.999 9 O 0.70126274966372 0.05088579375717 0.62772937994721 15.999 10 O 0.34962304409345 0.29873725033628 0.62772937994721 15.999 11 O 0.94911420624283 0.65037695590655 0.62772937994721 15.999 12 O 0.05088579375717 0.34962304409345 0.37227062005279 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.706024459934349 0.000000000000000 0.000000000000000 b -4.853012229967174 8.405663752056283 0.000000000000000 c 0.000000000000000 0.000000000000000 18.416809740000001 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.50000000000000 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.00000000000000 0.50000000000000 0.00000000000000 132.905 > 1 4 Cs 0.50000000000000 0.50000000000000 0.00000000000000 132.905 > 1 5 Cs 0.00000000000000 0.00000000000000 0.50000000000000 132.905 > 1 6 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 > 1 7 Cs 0.00000000000000 0.50000000000000 0.50000000000000 132.905 > 1 8 Cs 0.50000000000000 0.50000000000000 0.50000000000000 132.905 > 1 9 Sb 0.00000000000000 0.00000000000000 0.25000000000000 121.760 > 9 10 Sb 0.50000000000000 0.00000000000000 0.25000000000000 121.760 > 9 11 Sb 0.00000000000000 0.50000000000000 0.25000000000000 121.760 > 9 12 Sb 0.50000000000000 0.50000000000000 0.25000000000000 121.760 > 9 13 Sb 0.00000000000000 0.00000000000000 0.75000000000000 121.760 > 9 14 Sb 0.50000000000000 0.00000000000000 0.75000000000000 121.760 > 9 15 Sb 0.00000000000000 0.50000000000000 0.75000000000000 121.760 > 9 16 Sb 0.50000000000000 0.50000000000000 0.75000000000000 121.760 > 9 17 P 0.16666666666667 0.33333333333333 0.15492945127897 30.974 > 17 18 P 0.66666666666667 0.33333333333333 0.15492945127897 30.974 > 17 19 P 0.16666666666667 0.83333333333333 0.15492945127897 30.974 > 17 20 P 0.66666666666667 0.83333333333333 0.15492945127897 30.974 > 17 21 P 0.16666666666667 0.33333333333333 0.65492945127897 30.974 > 17 22 P 0.66666666666667 0.33333333333333 0.65492945127897 30.974 > 17 23 P 0.16666666666667 0.83333333333333 0.65492945127897 30.974 > 17 24 P 0.66666666666667 0.83333333333333 0.65492945127897 30.974 > 17 25 P 0.33333333333333 0.16666666666667 0.34507054872103 30.974 > 25 26 P 0.83333333333333 0.16666666666667 0.34507054872103 30.974 > 25 27 P 0.33333333333333 0.66666666666667 0.34507054872103 30.974 > 25 28 P 0.83333333333333 0.66666666666667 0.34507054872103 30.974 > 25 29 P 0.33333333333333 0.16666666666667 0.84507054872103 30.974 > 25 30 P 0.83333333333333 0.16666666666667 0.84507054872103 30.974 > 25 31 P 0.33333333333333 0.66666666666667 0.84507054872103 30.974 > 25 32 P 0.83333333333333 0.66666666666667 0.84507054872103 30.974 > 25 33 O 0.33333333333333 0.16666666666667 0.42587758650994 15.999 > 33 34 O 0.83333333333333 0.16666666666667 0.42587758650994 15.999 > 33 35 O 0.33333333333333 0.66666666666667 0.42587758650994 15.999 > 33 36 O 0.83333333333333 0.66666666666667 0.42587758650994 15.999 > 33 37 O 0.33333333333333 0.16666666666667 0.92587758650994 15.999 > 33 38 O 0.83333333333333 0.16666666666667 0.92587758650994 15.999 > 33 39 O 0.33333333333333 0.66666666666667 0.92587758650994 15.999 > 33 40 O 0.83333333333333 0.66666666666667 0.92587758650994 15.999 > 33 41 O 0.32518847795327 0.35063137483186 0.18613531002639 15.999 > 41 42 O 0.82518847795327 0.35063137483186 0.18613531002639 15.999 > 41 43 O 0.32518847795327 0.85063137483186 0.18613531002639 15.999 > 41 44 O 0.82518847795327 0.85063137483186 0.18613531002639 15.999 > 41 45 O 0.32518847795327 0.35063137483186 0.68613531002639 15.999 > 41 46 O 0.82518847795327 0.35063137483186 0.68613531002639 15.999 > 41 47 O 0.32518847795327 0.85063137483186 0.68613531002639 15.999 > 41 48 O 0.82518847795327 0.85063137483186 0.68613531002639 15.999 > 41 49 O 0.14936862516814 0.47455710312142 0.18613531002639 15.999 > 49 50 O 0.64936862516814 0.47455710312142 0.18613531002639 15.999 > 49 51 O 0.14936862516814 0.97455710312142 0.18613531002639 15.999 > 49 52 O 0.64936862516814 0.97455710312142 0.18613531002639 15.999 > 49 53 O 0.14936862516814 0.47455710312142 0.68613531002639 15.999 > 49 54 O 0.64936862516814 0.47455710312142 0.68613531002639 15.999 > 49 55 O 0.14936862516814 0.97455710312142 0.68613531002639 15.999 > 49 56 O 0.64936862516814 0.97455710312142 0.68613531002639 15.999 > 49 57 O 0.16666666666667 0.33333333333333 0.07412241349006 15.999 > 57 58 O 0.66666666666667 0.33333333333333 0.07412241349006 15.999 > 57 59 O 0.16666666666667 0.83333333333333 0.07412241349006 15.999 > 57 60 O 0.66666666666667 0.83333333333333 0.07412241349006 15.999 > 57 61 O 0.16666666666667 0.33333333333333 0.57412241349006 15.999 > 57 62 O 0.66666666666667 0.33333333333333 0.57412241349006 15.999 > 57 63 O 0.16666666666667 0.83333333333333 0.57412241349006 15.999 > 57 64 O 0.66666666666667 0.83333333333333 0.57412241349006 15.999 > 57 65 O 0.35063137483186 0.02544289687858 0.31386468997361 15.999 > 65 66 O 0.85063137483186 0.02544289687858 0.31386468997361 15.999 > 65 67 O 0.35063137483186 0.52544289687858 0.31386468997361 15.999 > 65 68 O 0.85063137483186 0.52544289687858 0.31386468997361 15.999 > 65 69 O 0.35063137483186 0.02544289687858 0.81386468997361 15.999 > 65 70 O 0.85063137483186 0.02544289687858 0.81386468997361 15.999 > 65 71 O 0.35063137483186 0.52544289687858 0.81386468997361 15.999 > 65 72 O 0.85063137483186 0.52544289687858 0.81386468997361 15.999 > 65 73 O 0.17481152204673 0.14936862516814 0.31386468997361 15.999 > 73 74 O 0.67481152204673 0.14936862516814 0.31386468997361 15.999 > 73 75 O 0.17481152204673 0.64936862516814 0.31386468997361 15.999 > 73 76 O 0.67481152204673 0.64936862516814 0.31386468997361 15.999 > 73 77 O 0.17481152204673 0.14936862516814 0.81386468997361 15.999 > 73 78 O 0.67481152204673 0.14936862516814 0.81386468997361 15.999 > 73 79 O 0.17481152204673 0.64936862516814 0.81386468997361 15.999 > 73 80 O 0.67481152204673 0.64936862516814 0.81386468997361 15.999 > 73 81 O 0.47455710312142 0.32518847795327 0.31386468997361 15.999 > 81 82 O 0.97455710312142 0.32518847795327 0.31386468997361 15.999 > 81 83 O 0.47455710312142 0.82518847795327 0.31386468997361 15.999 > 81 84 O 0.97455710312142 0.82518847795327 0.31386468997361 15.999 > 81 85 O 0.47455710312142 0.32518847795327 0.81386468997361 15.999 > 81 86 O 0.97455710312142 0.32518847795327 0.81386468997361 15.999 > 81 87 O 0.47455710312142 0.82518847795327 0.81386468997361 15.999 > 81 88 O 0.97455710312142 0.82518847795327 0.81386468997361 15.999 > 81 89 O 0.02544289687858 0.17481152204673 0.18613531002639 15.999 > 89 90 O 0.52544289687858 0.17481152204673 0.18613531002639 15.999 > 89 91 O 0.02544289687858 0.67481152204673 0.18613531002639 15.999 > 89 92 O 0.52544289687858 0.67481152204673 0.18613531002639 15.999 > 89 93 O 0.02544289687858 0.17481152204673 0.68613531002639 15.999 > 89 94 O 0.52544289687858 0.17481152204673 0.68613531002639 15.999 > 89 95 O 0.02544289687858 0.67481152204673 0.68613531002639 15.999 > 89 96 O 0.52544289687858 0.67481152204673 0.68613531002639 15.999 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8195544 0.0000000 0.0000000 -0.0000000 2.8195544 0.0000000 0.0000000 0.0000000 2.8319499 -------------------------- Born effective charges -------------------------- 1 Cs 1.3178574 0.0089092 -0.0000000 -0.0089092 1.3178574 0.0000000 0.0000000 0.0000000 1.5297489 2 Sb 5.1896834 0.7430142 -0.0000000 -0.7430142 5.1896834 0.0000000 0.0000000 0.0000000 3.6279053 3 P 3.6758935 -0.8065809 -0.0000000 0.8065809 3.6758935 0.0000000 0.0000000 0.0000000 3.1418156 4 P 3.6758935 -0.8065809 -0.0000000 0.8065809 3.6758935 0.0000000 0.0000000 0.0000000 3.1418156 5 O -1.1842809 0.0806554 -0.0000000 -0.0806554 -1.1842809 0.0000000 0.0000000 0.0000000 -1.9870273 6 O -2.5037101 -0.3880422 -0.7081279 -0.6213514 -1.3265452 -0.3584036 -0.6718890 -0.2586294 -1.2445385 7 O -2.0579167 0.8787304 0.6644505 0.6454211 -1.7723386 -0.4340550 0.5599241 -0.4525582 -1.2445385 8 O -1.1842809 0.0806554 -0.0000000 -0.0806554 -1.1842809 0.0000000 0.0000000 0.0000000 -1.9870273 9 O -2.0579167 0.8787304 0.6644505 0.6454211 -1.7723386 -0.4340550 0.5599241 -0.4525582 -1.2445385 10 O -2.5037101 -0.3880422 -0.7081279 -0.6213514 -1.3265452 -0.3584036 -0.6718890 -0.2586294 -1.2445385 11 O -1.1837562 -0.1407243 0.0436774 -0.3740336 -2.6464991 0.7924585 0.1119649 0.7111876 -1.2445385 12 O -1.1837562 -0.1407243 0.0436774 -0.3740336 -2.6464991 0.7924585 0.1119649 0.7111876 -1.2445385 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000179 (yzy) 0.00000179 (yzy) 0.00000179 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000314 (yx) 0.00000314 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:29:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:29:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.853012229967175 0.000000000000000 0.000000000000000 b -2.426506114983587 4.202831876028141 0.000000000000000 c 0.000000000000000 0.000000000000000 9.208404870000001 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 3 P 0.33333333333333 0.66666666666667 0.30985890255794 30.974 4 P 0.66666666666667 0.33333333333333 0.69014109744206 30.974 5 O 0.66666666666667 0.33333333333333 0.85175517301989 15.999 6 O 0.65037695590655 0.70126274966372 0.37227062005279 15.999 7 O 0.29873725033628 0.94911420624283 0.37227062005279 15.999 8 O 0.33333333333333 0.66666666666667 0.14824482698011 15.999 9 O 0.70126274966372 0.05088579375717 0.62772937994721 15.999 10 O 0.34962304409345 0.29873725033628 0.62772937994721 15.999 11 O 0.94911420624283 0.65037695590655 0.62772937994721 15.999 12 O 0.05088579375717 0.34962304409345 0.37227062005279 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.706024459934349 0.000000000000000 0.000000000000000 b -4.853012229967174 8.405663752056283 0.000000000000000 c 0.000000000000000 0.000000000000000 18.416809740000001 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.50000000000000 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.00000000000000 0.50000000000000 0.00000000000000 132.905 > 1 4 Cs 0.50000000000000 0.50000000000000 0.00000000000000 132.905 > 1 5 Cs 0.00000000000000 0.00000000000000 0.50000000000000 132.905 > 1 6 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 > 1 7 Cs 0.00000000000000 0.50000000000000 0.50000000000000 132.905 > 1 8 Cs 0.50000000000000 0.50000000000000 0.50000000000000 132.905 > 1 9 Sb 0.00000000000000 0.00000000000000 0.25000000000000 121.760 > 9 10 Sb 0.50000000000000 0.00000000000000 0.25000000000000 121.760 > 9 11 Sb 0.00000000000000 0.50000000000000 0.25000000000000 121.760 > 9 12 Sb 0.50000000000000 0.50000000000000 0.25000000000000 121.760 > 9 13 Sb 0.00000000000000 0.00000000000000 0.75000000000000 121.760 > 9 14 Sb 0.50000000000000 0.00000000000000 0.75000000000000 121.760 > 9 15 Sb 0.00000000000000 0.50000000000000 0.75000000000000 121.760 > 9 16 Sb 0.50000000000000 0.50000000000000 0.75000000000000 121.760 > 9 17 P 0.16666666666667 0.33333333333333 0.15492945127897 30.974 > 17 18 P 0.66666666666667 0.33333333333333 0.15492945127897 30.974 > 17 19 P 0.16666666666667 0.83333333333333 0.15492945127897 30.974 > 17 20 P 0.66666666666667 0.83333333333333 0.15492945127897 30.974 > 17 21 P 0.16666666666667 0.33333333333333 0.65492945127897 30.974 > 17 22 P 0.66666666666667 0.33333333333333 0.65492945127897 30.974 > 17 23 P 0.16666666666667 0.83333333333333 0.65492945127897 30.974 > 17 24 P 0.66666666666667 0.83333333333333 0.65492945127897 30.974 > 17 25 P 0.33333333333333 0.16666666666667 0.34507054872103 30.974 > 25 26 P 0.83333333333333 0.16666666666667 0.34507054872103 30.974 > 25 27 P 0.33333333333333 0.66666666666667 0.34507054872103 30.974 > 25 28 P 0.83333333333333 0.66666666666667 0.34507054872103 30.974 > 25 29 P 0.33333333333333 0.16666666666667 0.84507054872103 30.974 > 25 30 P 0.83333333333333 0.16666666666667 0.84507054872103 30.974 > 25 31 P 0.33333333333333 0.66666666666667 0.84507054872103 30.974 > 25 32 P 0.83333333333333 0.66666666666667 0.84507054872103 30.974 > 25 33 O 0.33333333333333 0.16666666666667 0.42587758650994 15.999 > 33 34 O 0.83333333333333 0.16666666666667 0.42587758650994 15.999 > 33 35 O 0.33333333333333 0.66666666666667 0.42587758650994 15.999 > 33 36 O 0.83333333333333 0.66666666666667 0.42587758650994 15.999 > 33 37 O 0.33333333333333 0.16666666666667 0.92587758650994 15.999 > 33 38 O 0.83333333333333 0.16666666666667 0.92587758650994 15.999 > 33 39 O 0.33333333333333 0.66666666666667 0.92587758650994 15.999 > 33 40 O 0.83333333333333 0.66666666666667 0.92587758650994 15.999 > 33 41 O 0.32518847795327 0.35063137483186 0.18613531002639 15.999 > 41 42 O 0.82518847795327 0.35063137483186 0.18613531002639 15.999 > 41 43 O 0.32518847795327 0.85063137483186 0.18613531002639 15.999 > 41 44 O 0.82518847795327 0.85063137483186 0.18613531002639 15.999 > 41 45 O 0.32518847795327 0.35063137483186 0.68613531002639 15.999 > 41 46 O 0.82518847795327 0.35063137483186 0.68613531002639 15.999 > 41 47 O 0.32518847795327 0.85063137483186 0.68613531002639 15.999 > 41 48 O 0.82518847795327 0.85063137483186 0.68613531002639 15.999 > 41 49 O 0.14936862516814 0.47455710312142 0.18613531002639 15.999 > 49 50 O 0.64936862516814 0.47455710312142 0.18613531002639 15.999 > 49 51 O 0.14936862516814 0.97455710312142 0.18613531002639 15.999 > 49 52 O 0.64936862516814 0.97455710312142 0.18613531002639 15.999 > 49 53 O 0.14936862516814 0.47455710312142 0.68613531002639 15.999 > 49 54 O 0.64936862516814 0.47455710312142 0.68613531002639 15.999 > 49 55 O 0.14936862516814 0.97455710312142 0.68613531002639 15.999 > 49 56 O 0.64936862516814 0.97455710312142 0.68613531002639 15.999 > 49 57 O 0.16666666666667 0.33333333333333 0.07412241349006 15.999 > 57 58 O 0.66666666666667 0.33333333333333 0.07412241349006 15.999 > 57 59 O 0.16666666666667 0.83333333333333 0.07412241349006 15.999 > 57 60 O 0.66666666666667 0.83333333333333 0.07412241349006 15.999 > 57 61 O 0.16666666666667 0.33333333333333 0.57412241349006 15.999 > 57 62 O 0.66666666666667 0.33333333333333 0.57412241349006 15.999 > 57 63 O 0.16666666666667 0.83333333333333 0.57412241349006 15.999 > 57 64 O 0.66666666666667 0.83333333333333 0.57412241349006 15.999 > 57 65 O 0.35063137483186 0.02544289687858 0.31386468997361 15.999 > 65 66 O 0.85063137483186 0.02544289687858 0.31386468997361 15.999 > 65 67 O 0.35063137483186 0.52544289687858 0.31386468997361 15.999 > 65 68 O 0.85063137483186 0.52544289687858 0.31386468997361 15.999 > 65 69 O 0.35063137483186 0.02544289687858 0.81386468997361 15.999 > 65 70 O 0.85063137483186 0.02544289687858 0.81386468997361 15.999 > 65 71 O 0.35063137483186 0.52544289687858 0.81386468997361 15.999 > 65 72 O 0.85063137483186 0.52544289687858 0.81386468997361 15.999 > 65 73 O 0.17481152204673 0.14936862516814 0.31386468997361 15.999 > 73 74 O 0.67481152204673 0.14936862516814 0.31386468997361 15.999 > 73 75 O 0.17481152204673 0.64936862516814 0.31386468997361 15.999 > 73 76 O 0.67481152204673 0.64936862516814 0.31386468997361 15.999 > 73 77 O 0.17481152204673 0.14936862516814 0.81386468997361 15.999 > 73 78 O 0.67481152204673 0.14936862516814 0.81386468997361 15.999 > 73 79 O 0.17481152204673 0.64936862516814 0.81386468997361 15.999 > 73 80 O 0.67481152204673 0.64936862516814 0.81386468997361 15.999 > 73 81 O 0.47455710312142 0.32518847795327 0.31386468997361 15.999 > 81 82 O 0.97455710312142 0.32518847795327 0.31386468997361 15.999 > 81 83 O 0.47455710312142 0.82518847795327 0.31386468997361 15.999 > 81 84 O 0.97455710312142 0.82518847795327 0.31386468997361 15.999 > 81 85 O 0.47455710312142 0.32518847795327 0.81386468997361 15.999 > 81 86 O 0.97455710312142 0.32518847795327 0.81386468997361 15.999 > 81 87 O 0.47455710312142 0.82518847795327 0.81386468997361 15.999 > 81 88 O 0.97455710312142 0.82518847795327 0.81386468997361 15.999 > 81 89 O 0.02544289687858 0.17481152204673 0.18613531002639 15.999 > 89 90 O 0.52544289687858 0.17481152204673 0.18613531002639 15.999 > 89 91 O 0.02544289687858 0.67481152204673 0.18613531002639 15.999 > 89 92 O 0.52544289687858 0.67481152204673 0.18613531002639 15.999 > 89 93 O 0.02544289687858 0.17481152204673 0.68613531002639 15.999 > 89 94 O 0.52544289687858 0.17481152204673 0.68613531002639 15.999 > 89 95 O 0.02544289687858 0.67481152204673 0.68613531002639 15.999 > 89 96 O 0.52544289687858 0.67481152204673 0.68613531002639 15.999 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8195544 0.0000000 0.0000000 -0.0000000 2.8195544 0.0000000 0.0000000 0.0000000 2.8319499 -------------------------- Born effective charges -------------------------- 1 Cs 1.3178574 0.0089092 -0.0000000 -0.0089092 1.3178574 0.0000000 0.0000000 0.0000000 1.5297489 2 Sb 5.1896834 0.7430142 -0.0000000 -0.7430142 5.1896834 0.0000000 0.0000000 0.0000000 3.6279053 3 P 3.6758935 -0.8065809 -0.0000000 0.8065809 3.6758935 0.0000000 0.0000000 0.0000000 3.1418156 4 P 3.6758935 -0.8065809 -0.0000000 0.8065809 3.6758935 0.0000000 0.0000000 0.0000000 3.1418156 5 O -1.1842809 0.0806554 -0.0000000 -0.0806554 -1.1842809 0.0000000 0.0000000 0.0000000 -1.9870273 6 O -2.5037101 -0.3880422 -0.7081279 -0.6213514 -1.3265452 -0.3584036 -0.6718890 -0.2586294 -1.2445385 7 O -2.0579167 0.8787304 0.6644505 0.6454211 -1.7723386 -0.4340550 0.5599241 -0.4525582 -1.2445385 8 O -1.1842809 0.0806554 -0.0000000 -0.0806554 -1.1842809 0.0000000 0.0000000 0.0000000 -1.9870273 9 O -2.0579167 0.8787304 0.6644505 0.6454211 -1.7723386 -0.4340550 0.5599241 -0.4525582 -1.2445385 10 O -2.5037101 -0.3880422 -0.7081279 -0.6213514 -1.3265452 -0.3584036 -0.6718890 -0.2586294 -1.2445385 11 O -1.1837562 -0.1407243 0.0436774 -0.3740336 -2.6464991 0.7924585 0.1119649 0.7111876 -1.2445385 12 O -1.1837562 -0.1407243 0.0436774 -0.3740336 -2.6464991 0.7924585 0.1119649 0.7111876 -1.2445385 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000179 (yzy) 0.00000179 (yzy) 0.00000179 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 12 12 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.73, Number of G-points: 325, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 10.905 ( 0.000 0.000 0.000) 0.000 11.864 ( 0.000 0.000 0.000) 0.000 11.864 ( 0.000 0.000 0.000) 0.000 12.265 ( 0.000 0.000 0.000) 0.000 12.265 ( 0.000 0.000 0.000) 0.000 12.769 ( 0.000 0.000 0.000) 0.000 14.223 ( 0.000 0.000 0.000) 0.000 14.395 ( 0.000 0.000 0.000) 0.000 17.892 ( 0.000 0.000 0.000) 0.000 17.892 ( 0.000 0.000 0.000) 0.000 18.031 ( 0.000 0.000 0.000) 0.000 18.031 ( 0.000 0.000 0.000) 0.000 26.779 ( 0.000 0.000 0.000) 0.000 26.779 ( 0.000 0.000 0.000) 0.000 28.112 ( 0.000 0.000 0.000) 0.000 28.112 ( 0.000 0.000 0.000) 0.000 29.154 ( 0.000 0.000 0.000) 0.000 29.272 ( 0.000 0.000 0.000) 0.000 35.026 ( 0.000 0.000 0.000) 0.000 36.622 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 15.329 14.076 2.494) 20.961 0.553 ( 24.640 9.877 2.138) 26.632 0.931 ( 36.039 21.275 -2.711) 41.938 1.674 ( 5.517 3.140 -1.264) 6.473 1.735 ( -4.069 -2.422 0.591) 4.772 1.901 ( 10.797 6.390 0.615) 12.561 3.683 ( 1.627 3.263 -1.866) 4.096 3.755 ( 9.187 2.828 0.955) 9.659 4.299 ( 6.573 3.803 0.149) 7.595 4.460 ( 6.437 3.824 0.221) 7.491 6.641 ( -5.418 -4.846 -0.009) 7.269 6.709 ( -2.719 -3.019 1.622) 4.375 6.761 ( 4.480 6.016 1.397) 7.630 7.355 ( -1.186 -0.758 -0.214) 1.424 8.041 ( 2.096 0.969 -0.652) 2.400 9.298 ( -6.778 -3.887 -0.936) 7.870 10.941 ( 3.019 1.738 0.002) 3.484 11.848 ( -1.248 -1.108 0.118) 1.673 12.202 ( -6.197 -1.380 0.082) 6.349 12.249 ( -0.885 -2.238 -1.431) 2.800 12.372 ( 0.652 0.957 1.972) 2.287 12.732 ( -2.528 -2.141 -3.098) 4.536 14.158 ( -4.901 -2.879 -1.145) 5.799 14.389 ( -0.581 -0.325 -0.184) 0.691 17.845 ( -6.763 4.170 -0.180) 7.947 17.972 ( 10.828 -6.550 3.011) 13.008 18.117 ( 5.367 7.862 -0.097) 9.520 18.570 ( 1.332 0.830 0.801) 1.762 26.780 ( 0.031 0.334 -0.112) 0.353 26.907 ( 10.965 5.925 1.805) 12.593 28.118 ( 0.413 0.346 0.048) 0.541 29.127 ( -2.274 -1.308 0.643) 2.701 29.238 ( -2.680 -1.549 -0.361) 3.116 31.497 ( 4.792 2.744 -1.855) 5.826 35.025 ( -0.041 -0.025 -0.407) 0.409 36.535 ( -7.418 -4.283 -0.005) 8.566 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 17.340 15.160 2.204) 23.138 1.006 ( 18.187 6.278 3.531) 19.561 1.504 ( 10.964 5.182 -2.999) 12.492 1.622 ( -1.647 -0.094 -2.408) 2.918 1.893 ( 13.134 7.435 -2.088) 15.236 2.394 ( 31.264 18.603 2.133) 36.442 3.762 ( 2.568 4.608 -1.423) 5.464 3.973 ( 11.683 3.103 1.291) 12.157 4.470 ( 7.720 3.647 -1.633) 8.693 4.682 ( 12.243 8.156 1.352) 14.773 6.411 ( -12.090 -8.080 -0.664) 14.556 6.657 ( -0.325 -3.250 3.027) 4.453 6.962 ( 8.466 11.049 2.721) 14.183 7.303 ( -2.863 -2.625 -0.909) 3.989 8.102 ( 3.830 0.696 -0.658) 3.948 9.073 ( -12.743 -7.112 -1.719) 14.694 11.032 ( 4.619 2.515 0.004) 5.259 11.803 ( -1.240 -3.053 0.190) 3.301 12.039 ( -11.060 -0.904 0.227) 11.099 12.171 ( -4.650 -4.558 -0.941) 6.579 12.382 ( -2.002 2.133 2.998) 4.189 12.686 ( 2.079 -3.390 -6.200) 7.366 14.041 ( -4.532 -2.858 -0.335) 5.368 14.370 ( -1.142 -0.480 -0.555) 1.358 17.760 ( -7.206 2.989 0.522) 7.819 18.079 ( 7.512 -3.378 0.882) 8.284 18.346 ( 11.086 5.767 -1.084) 12.544 18.623 ( 2.822 3.319 4.139) 6.009 26.787 ( 0.240 0.655 -0.189) 0.722 27.238 ( 17.632 8.924 2.849) 19.966 28.131 ( 0.220 0.970 0.032) 0.995 29.055 ( -3.976 -2.249 1.866) 4.934 29.169 ( -2.856 -1.675 -1.651) 3.699 31.636 ( 6.920 3.864 -2.618) 8.347 35.025 ( 0.025 0.006 -0.587) 0.588 36.299 ( -12.746 -7.361 -0.055) 14.719 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 8.131 9.351 1.220) 12.451 1.331 ( 9.900 4.590 2.516) 11.198 1.465 ( 3.285 -2.137 1.908) 4.358 1.793 ( 8.011 5.013 -7.194) 11.877 2.259 ( 17.275 10.815 -2.454) 20.528 3.170 ( 33.239 19.736 2.196) 38.719 3.850 ( 2.851 3.654 0.321) 4.645 4.197 ( 10.512 3.225 1.059) 11.046 4.608 ( 5.129 1.005 -1.281) 5.381 5.023 ( 15.789 11.193 0.074) 19.354 6.101 ( -13.494 -8.950 -0.011) 16.192 6.636 ( 0.756 -1.374 2.227) 2.724 7.140 ( -5.192 2.553 1.912) 6.094 7.315 ( 11.420 5.712 0.021) 12.769 8.173 ( 4.234 -0.997 -0.165) 4.353 8.733 ( -17.040 -8.893 -2.218) 19.349 11.126 ( 3.565 0.959 -0.083) 3.693 11.739 ( -4.439 -5.342 0.399) 6.957 11.834 ( -10.108 2.831 0.296) 10.501 12.021 ( -5.601 -5.330 0.369) 7.741 12.345 ( -3.876 1.203 0.827) 4.142 12.753 ( 7.987 -1.965 -5.207) 9.734 13.959 ( -2.284 -1.811 0.515) 2.960 14.339 ( -2.046 -0.445 -0.620) 2.184 17.660 ( -6.360 0.625 0.758) 6.435 18.174 ( 3.564 3.686 -1.081) 5.240 18.527 ( 8.875 -5.463 -4.731) 11.445 18.760 ( 5.854 8.898 8.551) 13.659 26.802 ( 0.549 0.848 -0.202) 1.030 27.644 ( 18.901 7.719 2.846) 20.614 28.144 ( -0.578 2.478 -0.057) 2.546 28.953 ( -4.800 -2.723 1.792) 5.802 29.121 ( -1.302 -0.689 -1.754) 2.290 31.792 ( 6.536 3.497 -2.325) 7.769 35.028 ( 0.341 0.179 -0.433) 0.580 35.976 ( -14.814 -8.564 -0.214) 17.113 ======================= Grid point 4 (5/126) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -5.537 -0.952 -1.704) 5.871 1.353 ( 3.165 1.265 0.466) 3.440 1.745 ( 12.077 5.200 7.866) 15.321 1.983 ( 9.655 5.141 -10.281) 15.011 2.640 ( 13.987 9.608 -1.644) 17.048 3.847 ( 20.218 15.721 3.361) 25.831 3.942 ( 8.355 1.869 -0.040) 8.561 4.397 ( 8.849 3.971 0.671) 9.722 4.664 ( 2.069 -1.303 -0.214) 2.455 5.428 ( 16.749 12.248 -1.580) 20.810 5.792 ( -11.920 -8.192 1.145) 14.509 6.653 ( 1.006 0.994 1.068) 1.773 7.001 ( -6.902 -4.194 -0.001) 8.076 7.619 ( 12.170 8.575 1.761) 14.991 8.214 ( 2.207 -3.473 0.156) 4.118 8.340 ( -17.453 -7.618 -2.267) 19.178 11.151 ( 0.127 -3.069 -0.228) 3.080 11.514 ( -13.583 0.076 0.024) 13.584 11.807 ( 0.197 0.575 0.321) 0.688 11.920 ( -0.345 -2.520 2.048) 3.266 12.279 ( -4.257 -0.357 -1.144) 4.423 12.891 ( 8.756 -0.541 -3.161) 9.325 13.928 ( 0.340 -0.673 0.558) 0.938 14.285 ( -3.862 -0.599 -0.382) 3.926 17.561 ( -4.826 -0.903 0.455) 4.930 18.275 ( 1.059 8.481 -1.791) 8.732 18.575 ( 5.846 -8.968 -2.803) 11.066 18.945 ( 5.614 6.690 6.221) 10.723 26.821 ( 0.687 0.777 -0.154) 1.049 27.999 ( 15.930 0.843 1.892) 16.064 28.170 ( -1.152 7.314 0.082) 7.405 28.842 ( -4.713 -2.848 0.828) 5.568 29.110 ( -0.014 0.430 -0.885) 0.984 31.920 ( 4.829 2.456 -1.545) 5.633 35.044 ( 1.155 0.647 0.003) 1.324 35.645 ( -13.597 -7.875 -0.498) 15.721 ======================= Grid point 5 (6/126) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -4.014 -1.577 -1.787) 4.668 1.410 ( 1.696 0.918 0.519) 1.997 1.897 ( 3.379 1.639 3.696) 5.269 2.204 ( 8.260 4.011 -5.724) 10.820 2.900 ( 7.254 5.349 -0.670) 9.037 3.985 ( 1.995 1.933 1.926) 3.380 4.321 ( 13.719 5.713 0.506) 14.869 4.557 ( 1.306 4.636 0.093) 4.817 4.712 ( 7.949 0.590 -0.587) 7.992 5.508 ( -9.822 -5.551 2.661) 11.592 5.824 ( 12.020 8.922 -2.103) 15.116 6.671 ( 1.361 -0.931 -0.014) 1.649 6.867 ( -4.082 -3.048 0.211) 5.099 7.829 ( 0.093 4.799 2.491) 5.408 7.999 ( -5.821 -6.780 -2.984) 9.421 8.237 ( 0.493 -0.721 0.461) 0.987 11.068 ( -4.234 -4.249 -0.089) 5.999 11.357 ( -5.593 1.960 -0.196) 5.930 11.796 ( -0.638 -0.703 0.011) 0.949 11.963 ( 4.357 1.186 3.007) 5.424 12.194 ( -4.474 -1.398 -2.206) 5.180 13.018 ( 5.679 -0.023 -1.438) 5.858 13.963 ( 3.862 0.647 0.206) 3.921 14.191 ( -6.008 -1.097 -0.093) 6.108 17.485 ( -2.624 -0.986 0.126) 2.806 18.372 ( -0.426 9.532 -1.441) 9.649 18.564 ( 3.655 -9.158 -0.914) 9.902 19.069 ( 2.983 3.186 3.131) 5.371 26.838 ( 0.475 0.449 -0.078) 0.659 28.133 ( 3.196 -2.365 0.077) 3.977 28.310 ( 5.968 7.404 0.950) 9.557 28.739 ( -3.914 -2.554 0.132) 4.675 29.121 ( 0.331 0.782 -0.250) 0.885 32.002 ( 2.546 1.242 -0.724) 2.923 35.088 ( 2.876 1.652 0.514) 3.357 35.371 ( -10.058 -5.836 -0.779) 11.655 ======================= Grid point 6 (7/126) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.000 0.000 -0.000) 0.000 1.429 ( 0.000 0.000 -0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 -0.000) 0.000 2.989 ( 0.000 0.000 -0.000) 0.000 4.013 ( 0.000 0.000 -0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 -0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.704 ( -0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 -0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 -0.000) 0.000 8.240 ( 0.000 0.000 -0.000) 0.000 10.998 ( 0.000 0.000 -0.000) 0.000 11.325 ( 0.000 0.000 -0.000) 0.000 11.787 ( 0.000 0.000 0.000) 0.000 12.032 ( -0.000 -0.000 -0.000) 0.000 12.125 ( 0.000 0.000 0.000) 0.000 13.068 ( 0.000 0.000 -0.000) 0.000 14.061 ( -0.000 -0.000 0.000) 0.000 14.073 ( 0.000 0.000 -0.000) 0.000 17.457 ( 0.000 0.000 -0.000) 0.000 18.426 ( 0.000 -0.000 -0.000) 0.000 18.540 ( 0.000 0.000 0.000) 0.000 19.111 ( 0.000 0.000 0.000) 0.000 26.845 ( 0.000 0.000 -0.000) 0.000 28.145 ( 0.000 0.000 -0.000) 0.000 28.412 ( 0.000 0.000 0.000) 0.000 28.682 ( 0.000 0.000 0.000) 0.000 29.129 ( 0.000 0.000 0.000) 0.000 32.031 ( 0.000 0.000 0.000) 0.000 35.176 ( -0.000 -0.000 -0.000) 0.000 35.199 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/126) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 15.213 18.174 3.491) 23.957 0.925 ( 8.158 20.933 -0.706) 22.477 1.400 ( 11.397 20.131 -0.070) 23.134 1.643 ( -3.198 -5.956 -0.714) 6.798 1.832 ( 7.161 12.911 0.486) 14.773 2.196 ( 14.753 24.603 -0.380) 28.690 3.739 ( 4.998 3.156 -1.082) 6.009 3.906 ( 2.570 10.683 -0.845) 11.020 4.430 ( 4.558 8.782 -0.968) 9.941 4.609 ( 6.823 10.491 2.284) 12.721 6.519 ( -7.388 -10.467 -1.053) 12.855 6.615 ( -3.393 -2.332 -0.094) 4.118 6.900 ( 8.836 7.460 0.380) 11.570 7.343 ( -0.938 -1.007 2.670) 3.004 8.076 ( 0.620 2.956 -0.234) 3.029 9.149 ( -6.213 -11.023 -0.697) 12.673 11.005 ( 2.545 4.536 -0.145) 5.203 11.815 ( -2.622 -1.852 0.708) 3.287 12.104 ( -0.755 -8.117 -0.459) 8.165 12.224 ( -2.807 -1.737 -1.009) 3.452 12.374 ( 2.254 -1.674 -1.144) 3.032 12.657 ( -5.597 -3.036 2.696) 6.915 14.070 ( -3.005 -4.892 0.318) 5.750 14.373 ( -0.628 -1.270 -0.060) 1.418 17.812 ( 5.523 -5.784 0.685) 8.026 18.080 ( -8.668 11.094 -1.926) 14.210 18.221 ( 9.291 6.019 -6.687) 12.933 18.613 ( 2.637 3.249 5.580) 6.975 26.832 ( 2.208 2.544 0.166) 3.373 27.080 ( 6.433 13.221 -0.242) 14.705 28.138 ( 1.318 1.353 -0.312) 1.914 29.079 ( -1.973 -3.473 -0.324) 4.007 29.187 ( -1.820 -3.119 0.623) 3.665 31.593 ( 3.643 6.475 0.376) 7.439 35.025 ( -0.018 -0.022 0.393) 0.394 36.373 ( -6.708 -11.616 -0.036) 13.414 ======================= Grid point 15 (9/126) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 16.971 12.631 4.406) 21.610 1.207 ( 4.535 15.640 1.365) 16.341 1.488 ( -5.841 -3.189 -0.365) 6.665 1.704 ( 8.079 5.699 -4.627) 10.916 2.179 ( 12.332 21.240 -0.927) 24.578 2.835 ( 27.732 24.165 1.217) 36.804 3.873 ( 3.733 6.212 -1.695) 7.443 4.062 ( 6.556 6.057 0.559) 8.943 4.591 ( 3.191 8.679 -0.713) 9.275 4.884 ( 12.452 10.715 1.203) 16.472 6.238 ( -12.453 -9.581 -0.674) 15.727 6.570 ( 1.651 -3.633 1.062) 4.130 7.165 ( 12.332 7.427 0.233) 14.398 7.281 ( -5.906 -0.003 2.681) 6.486 8.118 ( 1.418 1.843 -0.206) 2.335 8.877 ( -11.434 -12.564 -1.597) 17.063 11.099 ( 2.619 4.006 -0.246) 4.792 11.741 ( -2.369 -2.522 1.082) 3.625 12.002 ( -3.849 -4.471 0.542) 5.924 12.107 ( -9.167 -1.386 -1.168) 9.344 12.420 ( 1.381 0.411 1.233) 1.896 12.534 ( 1.709 -8.908 -2.822) 9.499 13.984 ( -2.649 -2.318 0.347) 3.538 14.345 ( -0.638 -2.062 -0.406) 2.196 17.798 ( -4.151 -1.552 1.343) 4.630 18.124 ( 4.120 6.258 -1.142) 7.579 18.380 ( 4.286 1.944 -8.133) 9.397 18.738 ( 5.903 6.560 8.163) 12.022 26.878 ( -2.253 7.304 -0.244) 7.647 27.379 ( 15.672 6.378 1.535) 16.990 28.186 ( 1.145 3.945 -0.450) 4.132 28.996 ( -3.467 -3.482 0.924) 5.000 29.131 ( -1.413 -1.888 -0.156) 2.363 31.730 ( 5.074 5.310 -1.183) 7.439 35.026 ( 0.121 0.080 0.116) 0.186 36.095 ( -10.955 -12.678 -0.158) 16.756 ======================= Grid point 16 (10/126) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -4.000 -5.259 -2.058) 6.921 1.352 ( 1.403 7.447 1.670) 7.760 1.602 ( 12.629 13.693 7.039) 19.913 1.878 ( 7.776 3.696 -8.657) 12.209 2.607 ( 9.945 23.298 -1.363) 25.368 3.540 ( 29.022 17.058 1.387) 33.693 3.969 ( -0.418 8.100 0.760) 8.146 4.250 ( 9.960 2.358 0.627) 10.255 4.694 ( -0.800 7.705 -0.069) 7.746 5.237 ( 16.877 9.157 -0.981) 19.226 5.927 ( -12.892 -8.471 0.897) 15.452 6.601 ( 4.251 -0.895 0.760) 4.410 7.124 ( -10.002 -2.581 0.362) 10.336 7.456 ( 13.465 4.436 0.780) 14.198 8.156 ( 1.513 0.446 0.198) 1.589 8.526 ( -14.514 -11.854 -1.507) 18.800 11.149 ( -0.319 1.569 -0.163) 1.610 11.696 ( -3.316 0.395 0.493) 3.375 11.894 ( -9.128 3.135 1.916) 9.840 11.921 ( -4.631 -4.165 -0.253) 6.233 12.355 ( -5.693 -0.252 -0.572) 5.728 12.617 ( 15.078 -10.487 -3.101) 18.626 13.935 ( -1.474 -0.435 0.594) 1.647 14.309 ( -1.079 -2.625 -0.405) 2.867 17.678 ( -7.576 -0.356 1.092) 7.662 18.293 ( 7.539 5.589 -0.714) 9.412 18.426 ( 1.374 -1.252 -5.912) 6.197 18.909 ( 5.867 5.912 6.382) 10.493 26.907 ( -3.897 9.241 -0.301) 10.033 27.703 ( 17.306 0.129 1.517) 17.373 28.251 ( 0.439 6.201 -0.235) 6.221 28.896 ( -4.421 -2.862 0.996) 5.360 29.107 ( 0.028 -0.670 -0.186) 0.696 31.860 ( 4.872 3.205 -1.364) 5.989 35.033 ( 0.631 0.312 0.144) 0.718 35.771 ( -12.003 -11.663 -0.389) 16.740 ======================= Grid point 17 (11/126) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -4.524 -4.353 -3.046) 6.978 1.434 ( 0.000 6.036 1.358) 6.187 1.847 ( 5.091 4.329 6.670) 9.441 2.086 ( 10.394 5.451 -9.153) 14.883 2.939 ( 3.261 19.730 -0.683) 20.009 4.019 ( 0.924 6.486 0.267) 6.557 4.129 ( 17.640 11.669 2.410) 21.287 4.454 ( 12.379 2.085 0.361) 12.559 4.722 ( -3.808 6.864 0.156) 7.851 5.627 ( 14.617 7.139 -1.365) 16.325 5.643 ( -7.541 -6.570 1.853) 10.172 6.650 ( 0.268 -1.992 0.548) 2.083 6.921 ( -7.331 -3.403 -0.503) 8.098 7.707 ( 13.126 0.121 0.330) 13.131 8.113 ( -10.404 -7.421 -2.307) 12.986 8.229 ( -3.285 -2.537 1.425) 4.389 11.127 ( -3.437 1.311 0.002) 3.678 11.553 ( -12.987 3.113 0.112) 13.356 11.819 ( -1.951 0.795 -0.169) 2.114 11.912 ( 2.875 1.824 2.915) 4.482 12.254 ( -4.692 -2.069 -2.242) 5.596 12.782 ( 15.062 -9.595 -1.836) 17.953 13.929 ( 0.841 0.645 0.455) 1.154 14.249 ( -2.907 -3.004 -0.165) 4.183 17.554 ( -5.606 -0.904 0.914) 5.751 18.410 ( 1.597 -5.792 -2.761) 6.612 18.475 ( 3.610 10.202 -1.456) 10.920 19.037 ( 3.797 2.687 3.901) 6.071 26.928 ( -4.614 9.702 -0.252) 10.746 27.955 ( 13.016 -2.458 0.659) 13.262 28.323 ( 1.282 5.250 0.265) 5.411 28.793 ( -4.594 -1.857 0.498) 4.981 29.111 ( 0.792 -0.633 0.065) 1.016 31.956 ( 3.754 1.106 -0.843) 4.003 35.058 ( 1.870 0.773 0.411) 2.065 35.474 ( -10.179 -9.028 -0.676) 13.623 ======================= Grid point 18 (12/126) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -1.579 -2.653 -2.447) 3.940 1.474 ( -1.834 5.154 0.960) 5.555 1.919 ( 1.509 0.459 1.829) 2.415 2.265 ( 4.763 2.101 -3.666) 6.367 3.102 ( -4.234 14.772 -0.004) 15.367 4.064 ( -2.062 5.750 0.334) 6.118 4.392 ( 6.649 2.043 1.551) 7.127 4.658 ( -2.246 5.233 0.399) 5.709 4.770 ( 7.759 4.195 -1.305) 8.917 5.424 ( -7.247 -2.436 2.823) 8.150 5.937 ( 7.907 2.127 -1.403) 8.307 6.576 ( 3.924 -8.764 -0.126) 9.604 6.849 ( -3.012 1.646 0.128) 3.435 7.824 ( -9.868 -6.907 -1.458) 12.133 7.914 ( 10.280 0.470 0.292) 10.295 8.212 ( 0.321 -2.409 0.473) 2.476 11.079 ( -4.957 5.435 0.030) 7.356 11.397 ( -7.562 1.986 0.510) 7.835 11.808 ( -1.182 2.051 -0.257) 2.381 12.002 ( 3.987 2.492 2.097) 5.148 12.155 ( -3.995 -2.408 -2.234) 5.172 12.920 ( 11.297 -9.425 -0.807) 14.734 13.981 ( 4.218 1.012 0.198) 4.342 14.149 ( -5.018 -2.959 0.072) 5.826 17.480 ( -2.088 -0.371 0.897) 2.303 18.359 ( -0.325 -6.212 -1.465) 6.391 18.621 ( 1.051 10.687 -0.514) 10.751 19.091 ( 1.429 -0.938 1.181) 2.077 26.939 ( -5.206 9.504 -0.178) 10.838 28.094 ( 5.587 -1.427 0.103) 5.767 28.387 ( 2.172 0.039 0.204) 2.182 28.714 ( -3.093 0.321 0.270) 3.121 29.113 ( 0.742 -1.729 0.127) 1.886 32.009 ( 1.992 -0.590 -0.187) 2.086 35.121 ( 4.288 1.550 0.673) 4.609 35.254 ( -6.706 -5.619 -0.816) 8.787 ======================= Grid point 19 (13/126) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 2.505 -0.499 -0.597) 2.623 1.474 ( -3.528 4.120 0.647) 5.462 1.921 ( -0.917 -0.854 -1.473) 1.934 2.274 ( -3.566 -2.542 1.458) 4.615 3.090 ( -11.636 10.350 0.383) 15.578 4.055 ( -4.566 3.551 -1.376) 5.946 4.440 ( -2.702 -3.150 0.530) 4.184 4.577 ( -7.311 -0.174 0.788) 7.356 4.831 ( -4.011 1.209 0.079) 4.190 5.426 ( 5.648 5.355 -0.884) 7.833 5.882 ( -6.808 -9.879 1.102) 12.048 6.669 ( 6.377 -3.156 -0.029) 7.115 6.824 ( 0.657 3.140 0.018) 3.208 7.701 ( 3.176 -5.736 -2.075) 6.877 8.038 ( 0.100 3.603 1.423) 3.876 8.198 ( 3.728 -3.651 -0.242) 5.224 11.105 ( -0.663 10.629 -0.025) 10.650 11.324 ( -2.438 -0.127 0.801) 2.569 11.813 ( -0.865 2.300 -0.316) 2.477 12.026 ( -3.651 -0.668 -2.665) 4.569 12.131 ( 3.689 0.575 1.852) 4.167 12.967 ( 5.354 -10.106 0.376) 11.443 14.032 ( -4.761 -1.792 0.124) 5.089 14.085 ( 6.165 0.573 0.061) 6.192 17.477 ( 0.974 1.545 0.914) 2.043 18.283 ( -0.936 -6.665 -0.330) 6.738 18.718 ( -2.083 10.527 0.615) 10.749 19.067 ( -1.152 -4.317 -1.790) 4.813 26.937 ( -5.780 8.968 -0.077) 10.669 28.131 ( 1.250 -2.606 0.024) 2.891 28.355 ( -3.708 -4.246 -0.622) 5.671 28.719 ( 1.525 3.095 0.208) 3.457 29.104 ( 0.617 -2.259 0.312) 2.363 32.012 ( -0.290 -1.785 0.403) 1.852 35.121 ( -3.461 -2.928 -0.607) 4.574 35.255 ( 8.226 3.026 0.688) 8.792 ======================= Grid point 20 (14/126) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 5.375 1.095 0.827) 5.547 1.433 ( -5.120 2.680 0.583) 5.808 1.864 ( -5.197 -1.265 -5.756) 7.857 2.102 ( -10.349 -6.242 7.002) 13.967 2.911 ( -18.897 6.627 1.000) 20.050 3.961 ( -9.444 -2.501 -3.557) 10.397 4.173 ( -17.128 -7.145 0.837) 18.577 4.454 ( -4.714 -5.943 0.278) 7.591 4.792 ( -5.660 8.467 -0.102) 10.185 5.533 ( -8.423 -10.889 1.274) 13.826 5.689 ( 6.624 3.166 -0.522) 7.360 6.647 ( -1.831 -2.456 -0.045) 3.064 6.954 ( 6.078 5.637 -0.077) 8.290 7.664 ( -3.140 -11.232 -3.460) 12.165 8.138 ( 11.228 6.710 2.873) 13.392 8.251 ( 2.044 0.412 -0.244) 2.099 11.225 ( -1.835 8.642 0.298) 8.840 11.339 ( 7.067 2.778 0.239) 7.597 11.821 ( -0.632 1.484 -0.170) 1.622 11.957 ( -2.642 0.450 -2.078) 3.391 12.209 ( 4.151 0.223 0.874) 4.247 12.908 ( 0.402 -11.059 1.937) 11.235 13.959 ( -2.441 0.178 -0.153) 2.452 14.196 ( 5.995 -0.159 0.170) 6.000 17.536 ( 2.360 3.887 0.678) 4.597 18.205 ( -0.605 -5.792 0.364) 5.835 18.758 ( -4.603 9.008 2.170) 10.346 18.963 ( -4.340 -7.446 -4.846) 9.888 26.920 ( -6.094 8.236 0.072) 10.246 28.058 ( -2.691 -13.286 -0.689) 13.574 28.231 ( -7.107 3.028 -0.871) 7.774 28.799 ( 3.641 3.095 -0.272) 4.787 29.095 ( 0.667 -1.390 0.930) 1.801 31.963 ( -2.853 -2.462 0.961) 3.889 35.059 ( -1.597 -1.218 -0.114) 2.011 35.474 ( 12.891 4.318 0.470) 13.603 ======================= Grid point 21 (15/126) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -0.052 0.912 0.381) 0.990 1.363 ( -3.041 0.844 1.437) 3.468 1.671 ( -15.538 -1.806 -8.079) 17.606 1.873 ( -7.502 -5.814 8.992) 13.074 2.583 ( -24.423 3.330 1.840) 24.718 3.518 ( -27.512 -16.001 -2.208) 31.904 3.949 ( -8.929 2.141 -1.110) 9.249 4.296 ( -6.471 -5.897 -0.423) 8.765 4.757 ( -8.397 6.662 0.841) 10.752 5.174 ( -14.252 -12.016 0.658) 18.653 5.953 ( 13.313 7.187 -0.124) 15.129 6.604 ( 0.773 -3.881 -1.330) 4.175 7.102 ( 3.023 6.367 0.230) 7.052 7.425 ( -9.404 -9.318 -2.067) 13.399 8.236 ( -2.260 -1.405 0.594) 2.726 8.497 ( 18.606 7.212 1.457) 20.008 11.198 ( -4.344 0.549 0.091) 4.380 11.590 ( 12.225 7.518 -0.233) 14.354 11.814 ( -1.451 2.220 0.394) 2.681 11.983 ( 3.540 3.312 -1.006) 4.951 12.272 ( 3.506 -0.735 -0.667) 3.644 12.786 ( -1.260 -10.830 3.723) 11.521 13.950 ( 0.398 1.110 -0.336) 1.226 14.282 ( 4.266 -0.353 0.311) 4.292 17.623 ( 2.149 5.418 0.196) 5.832 18.156 ( 0.209 -3.037 0.530) 3.090 18.740 ( -7.294 7.198 4.108) 11.041 18.769 ( -7.017 -10.945 -7.848) 15.186 26.894 ( -5.839 7.376 0.256) 9.411 27.781 ( -10.712 -16.275 -1.837) 19.570 28.185 ( -4.043 4.656 -0.636) 6.199 28.896 ( 4.496 2.323 -0.984) 5.155 29.102 ( 1.099 -0.277 1.782) 2.112 31.867 ( -5.370 -2.587 1.460) 6.137 35.033 ( -0.594 -0.389 0.429) 0.829 35.772 ( 16.081 4.561 0.173) 16.717 ======================= Grid point 22 (16/126) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -18.558 -0.888 1.497) 18.640 1.264 ( -14.049 -1.997 -2.233) 14.365 1.527 ( 3.436 1.887 -1.557) 4.218 1.689 ( -9.763 -4.157 4.013) 11.345 2.174 ( -23.849 0.443 2.119) 23.947 2.827 ( -34.780 -11.590 -1.609) 36.696 3.828 ( -7.313 1.516 -0.956) 7.529 4.115 ( -8.622 -4.839 -1.170) 9.956 4.621 ( -10.961 0.313 1.466) 11.063 4.852 ( -13.857 -4.052 0.038) 14.437 6.256 ( 14.259 5.187 0.059) 15.173 6.596 ( 3.248 -5.086 -2.320) 6.465 7.073 ( -10.718 0.521 -1.246) 10.802 7.306 ( 0.980 1.535 2.070) 2.757 8.156 ( -3.902 -2.646 0.431) 4.734 8.869 ( 17.128 4.189 0.549) 17.641 11.107 ( -5.613 -0.873 -0.228) 5.685 11.775 ( 4.557 -2.408 1.003) 5.251 11.910 ( 6.852 9.431 -0.615) 11.674 12.121 ( 6.497 4.731 -0.232) 8.040 12.321 ( 2.994 -0.112 -2.540) 3.928 12.674 ( 0.483 -9.127 5.222) 10.526 13.989 ( 3.080 0.799 0.009) 3.182 14.338 ( 2.628 -0.025 0.252) 2.640 17.712 ( 1.676 6.151 0.018) 6.375 18.148 ( 0.114 -0.112 0.184) 0.244 18.483 ( -12.205 -10.515 -9.164) 18.534 18.684 ( -5.800 2.903 4.972) 8.173 26.867 ( -4.917 5.809 0.393) 7.620 27.412 ( -14.746 -12.128 -1.907) 19.188 28.163 ( -2.852 2.639 -0.584) 3.929 28.995 ( 4.758 1.309 -1.360) 5.119 29.131 ( 2.421 0.295 2.005) 3.157 31.734 ( -7.264 -1.931 1.545) 7.673 35.026 ( -0.138 -0.077 0.683) 0.701 36.095 ( 16.449 3.142 -0.004) 16.746 ======================= Grid point 27 (17/126) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 2.174 -1.517 -0.413) 2.683 1.370 ( 2.573 4.138 1.638) 5.141 1.634 ( 5.302 17.061 0.885) 17.888 1.805 ( 3.724 4.459 -1.414) 5.979 2.666 ( 15.635 25.429 0.270) 29.852 3.326 ( 15.392 25.296 -0.161) 29.611 4.008 ( 6.831 7.118 -1.572) 9.990 4.191 ( 0.204 6.571 0.931) 6.640 4.808 ( 1.923 12.530 0.713) 12.697 5.069 ( 9.683 7.755 -0.334) 12.410 6.024 ( -8.230 -11.862 0.614) 14.451 6.546 ( 0.619 1.354 -0.728) 1.657 7.237 ( -0.991 -5.411 2.367) 5.989 7.292 ( 4.587 6.826 -2.538) 8.607 8.182 ( -1.386 3.701 0.899) 4.054 8.585 ( -8.370 -16.375 -0.375) 18.393 11.180 ( 0.292 3.901 -0.073) 3.912 11.696 ( 0.677 -2.810 0.534) 2.939 11.903 ( 1.257 -4.389 -0.004) 4.566 12.053 ( -1.666 -4.880 0.231) 5.162 12.298 ( 5.065 -6.941 -2.411) 8.925 12.523 ( -12.593 3.922 2.217) 13.374 13.956 ( -1.065 -0.565 0.234) 1.228 14.289 ( -0.847 -3.626 -0.134) 3.726 17.726 ( 0.111 -5.080 1.287) 5.241 18.171 ( 5.191 -0.449 -0.384) 5.225 18.540 ( -5.335 12.100 -8.037) 15.474 18.851 ( 7.371 4.648 5.444) 10.275 27.024 ( 5.026 6.424 0.083) 8.157 27.536 ( 2.194 9.976 -0.269) 10.218 28.259 ( 4.057 3.001 -0.741) 5.100 28.922 ( -2.221 -3.867 -0.125) 4.461 29.101 ( -0.494 -1.241 1.300) 1.864 31.835 ( 2.527 4.942 0.092) 5.551 35.029 ( 0.177 0.342 0.445) 0.588 35.818 ( -8.514 -14.716 -0.155) 17.002 ======================= Grid point 28 (18/126) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -3.313 -6.586 -2.576) 7.809 1.489 ( 2.179 6.665 1.089) 7.096 1.845 ( 1.333 7.317 8.634) 11.396 1.970 ( 10.168 7.825 -9.605) 16.028 3.124 ( 5.791 27.188 -0.518) 27.803 3.856 ( 21.657 15.198 0.003) 26.457 4.147 ( 0.049 9.004 0.491) 9.017 4.290 ( 6.982 1.761 1.353) 7.327 4.908 ( -5.190 13.677 0.625) 14.642 5.351 ( 17.321 2.012 -1.528) 17.504 5.765 ( -9.784 -7.903 2.320) 12.790 6.614 ( 2.778 1.244 -0.180) 3.049 7.052 ( -10.675 -4.228 -0.428) 11.490 7.469 ( 11.014 -1.693 -1.179) 11.205 8.178 ( -2.940 -0.319 -0.297) 2.972 8.281 ( -8.677 -11.553 0.687) 14.465 11.196 ( -1.713 3.402 0.325) 3.823 11.725 ( 0.169 1.813 -0.101) 1.823 11.871 ( -1.884 -0.665 -0.703) 2.118 11.958 ( -6.316 3.016 2.565) 7.455 12.311 ( -1.346 -6.414 -2.306) 6.948 12.414 ( 7.076 -6.344 -0.283) 9.507 13.940 ( -0.871 0.845 0.410) 1.281 14.238 ( -0.602 -4.367 -0.189) 4.412 17.619 ( -4.861 -5.463 1.540) 7.472 18.294 ( 7.447 -0.959 -1.027) 7.578 18.575 ( -2.944 11.093 -4.626) 12.374 18.994 ( 4.627 2.578 3.638) 6.425 27.138 ( -3.176 13.129 -0.302) 13.511 27.709 ( 11.333 1.336 0.325) 11.417 28.338 ( 1.742 2.206 -0.296) 2.826 28.845 ( -3.192 -2.152 0.308) 3.862 29.087 ( 0.357 -1.626 0.786) 1.841 31.914 ( 2.565 2.178 -0.341) 3.382 35.041 ( 0.821 0.544 0.369) 1.051 35.534 ( -8.659 -11.787 -0.392) 14.631 ======================= Grid point 29 (19/126) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -2.096 -5.209 -3.720) 6.735 1.567 ( -0.964 7.036 0.794) 7.146 1.899 ( 1.230 0.794 3.093) 3.423 2.196 ( 6.831 5.393 -4.709) 9.896 3.391 ( -4.541 24.911 0.014) 25.322 4.168 ( -0.969 7.379 -1.297) 7.555 4.304 ( 8.069 5.978 2.562) 10.364 4.493 ( 16.121 1.822 0.325) 16.227 4.922 ( -7.927 13.010 0.303) 15.238 5.521 ( -6.224 -5.341 3.191) 8.801 5.716 ( 17.700 1.683 -1.421) 17.837 6.501 ( -8.157 -13.734 0.015) 15.974 6.940 ( -3.341 6.315 -0.886) 7.199 7.655 ( 14.708 -4.799 -0.543) 15.481 7.939 ( -11.530 -8.978 -1.233) 14.665 8.198 ( -0.565 -2.054 0.978) 2.344 11.214 ( -2.137 7.396 0.428) 7.710 11.622 ( -13.332 3.715 0.453) 13.847 11.858 ( -1.165 3.244 -0.473) 3.479 11.970 ( 2.313 3.482 2.183) 4.716 12.198 ( -4.290 -3.624 -2.587) 6.183 12.542 ( 16.578 -13.865 -0.719) 21.624 13.950 ( 0.945 1.423 0.287) 1.732 14.173 ( -2.073 -4.306 -0.019) 4.779 17.495 ( -2.662 -5.028 1.652) 5.924 18.348 ( -0.493 -0.056 -1.913) 1.976 18.681 ( 2.637 9.736 -1.711) 10.231 19.057 ( 1.566 -0.640 1.833) 2.494 27.185 ( -7.557 15.517 -0.320) 17.262 27.923 ( 12.093 -0.958 0.169) 12.132 28.359 ( 0.330 -1.462 0.008) 1.498 28.777 ( -3.345 0.382 0.397) 3.390 29.073 ( 0.775 -3.270 0.414) 3.386 31.965 ( 2.167 -0.131 -0.116) 2.174 35.074 ( 2.393 0.757 0.460) 2.552 35.303 ( -6.565 -7.811 -0.609) 10.222 ======================= Grid point 30 (20/126) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 1.272 -2.891 -3.242) 4.526 1.594 ( -3.723 6.399 0.890) 7.456 1.913 ( 0.714 -1.000 0.126) 1.235 2.288 ( 0.185 0.374 -1.396) 1.457 3.471 ( -12.795 21.502 0.174) 25.022 4.179 ( -4.069 5.125 -1.257) 6.663 4.415 ( 2.399 0.218 2.001) 3.131 4.664 ( -0.321 -5.637 0.885) 5.715 4.933 ( -4.149 12.905 -0.866) 13.583 5.424 ( -0.420 2.225 2.044) 3.050 5.886 ( -3.270 -8.237 0.000) 8.862 6.367 ( 15.673 -10.516 -0.363) 18.878 6.939 ( -5.932 7.572 0.019) 9.619 7.654 ( -5.180 -9.225 -1.921) 10.752 7.922 ( 14.505 -1.544 0.457) 14.595 8.146 ( -2.388 -3.001 0.084) 3.836 11.276 ( -2.562 13.677 0.249) 13.917 11.438 ( -10.526 2.506 0.982) 10.865 11.866 ( -1.902 3.291 -0.452) 3.828 12.050 ( 2.362 2.030 -0.037) 3.115 12.101 ( -2.339 -2.868 -1.016) 3.838 12.663 ( 13.762 -15.891 -0.278) 21.024 14.003 ( 3.483 1.192 0.142) 3.684 14.086 ( -3.314 -2.948 0.118) 4.436 17.446 ( 1.826 -3.035 1.836) 3.989 18.304 ( -4.364 0.844 -1.566) 4.713 18.818 ( 1.913 8.541 -0.289) 8.758 19.037 ( -0.909 -4.244 -0.276) 4.349 27.193 ( -9.208 15.341 -0.212) 17.894 28.057 ( 4.418 -3.388 0.026) 5.568 28.332 ( 0.713 -4.391 -0.263) 4.456 28.750 ( -1.449 3.002 0.416) 3.359 29.054 ( 1.476 -3.873 0.328) 4.158 31.985 ( 1.095 -1.561 0.250) 1.923 35.133 ( 0.919 -1.686 0.005) 1.920 35.172 ( 0.790 -1.218 -0.101) 1.455 ======================= Grid point 32 (21/126) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 4.928 -0.543 -1.712) 5.245 1.565 ( -5.741 4.303 1.134) 7.264 1.904 ( -0.850 -0.698 -2.232) 2.488 2.207 ( -7.557 -3.522 1.764) 8.522 3.380 ( -20.253 17.207 0.210) 26.576 4.125 ( -8.258 2.738 -2.435) 9.035 4.339 ( -10.056 -6.767 1.314) 12.192 4.478 ( -6.016 -7.479 1.191) 9.671 4.994 ( -5.031 13.620 -0.567) 14.531 5.527 ( 2.250 0.639 1.414) 2.733 5.619 ( -4.079 -12.440 0.638) 13.107 6.600 ( 10.594 -3.373 -0.241) 11.120 6.926 ( -0.837 7.080 0.139) 7.130 7.544 ( 1.750 -9.481 -2.827) 10.047 8.100 ( 1.364 0.162 0.674) 1.530 8.132 ( 9.667 -0.513 0.447) 9.691 11.318 ( -4.607 -0.586 1.175) 4.790 11.404 ( -1.377 18.630 -0.332) 18.684 11.859 ( -1.793 2.003 -0.542) 2.742 12.007 ( -3.210 -1.096 -1.201) 3.598 12.141 ( 3.991 0.226 0.276) 4.007 12.685 ( 8.068 -17.388 0.586) 19.178 13.999 ( -2.475 -1.652 0.213) 2.983 14.103 ( 4.917 1.511 -0.024) 5.144 17.494 ( 5.272 -0.040 1.867) 5.593 18.232 ( -5.053 1.649 -1.038) 5.416 18.898 ( -2.383 6.647 1.446) 7.208 18.947 ( -2.342 -6.986 -3.086) 7.988 27.173 ( -9.977 13.773 -0.032) 17.007 27.983 ( -3.140 -11.900 -0.410) 12.315 28.317 ( -0.636 0.457 -0.437) 0.896 28.784 ( 1.450 2.998 0.090) 3.331 29.055 ( 2.098 -2.141 0.746) 3.089 31.970 ( -0.744 -2.015 0.502) 2.206 35.074 ( -1.829 -1.690 -0.227) 2.501 35.304 ( 10.057 1.763 0.303) 10.215 ======================= Grid point 33 (22/126) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 6.710 0.892 -0.820) 6.819 1.484 ( -7.141 1.726 1.393) 7.478 1.866 ( -4.395 1.535 -5.938) 7.545 1.973 ( -13.470 -5.894 5.868) 15.831 3.110 ( -26.954 10.021 0.533) 28.761 3.822 ( -22.486 -7.875 -1.548) 23.875 4.140 ( -8.873 2.537 -0.904) 9.273 4.328 ( -4.859 -6.258 1.400) 8.046 4.999 ( -9.848 9.453 -0.227) 13.653 5.257 ( -9.302 -11.692 0.951) 14.971 5.783 ( 12.210 2.974 0.878) 12.598 6.605 ( -3.470 -1.129 -0.425) 3.673 7.078 ( 8.025 5.451 0.605) 9.720 7.442 ( -3.575 -8.603 -3.543) 9.967 8.213 ( 2.875 -0.357 2.257) 3.672 8.271 ( 13.466 2.243 -0.502) 13.661 11.249 ( -2.496 -2.007 0.652) 3.269 11.583 ( 1.619 14.624 -0.681) 14.729 11.855 ( -0.609 2.101 -0.220) 2.199 11.977 ( 0.168 1.890 0.330) 1.926 12.208 ( 3.729 0.167 -1.053) 3.879 12.614 ( 4.130 -16.624 1.571) 17.201 13.960 ( -0.852 -0.482 0.129) 0.987 14.204 ( 4.860 1.236 -0.031) 5.015 17.608 ( 5.904 2.502 1.580) 6.605 18.177 ( -3.707 3.184 -0.660) 4.931 18.770 ( -5.933 -10.175 -4.889) 12.753 18.915 ( -4.916 5.351 2.457) 7.671 27.122 ( -9.802 9.835 0.172) 13.886 27.765 ( -6.428 -13.375 -0.817) 14.862 28.302 ( -3.365 3.115 -0.612) 4.626 28.848 ( 3.289 1.429 -0.261) 3.595 29.077 ( 1.568 -0.262 1.345) 2.082 31.919 ( -3.124 -1.563 0.528) 3.533 35.042 ( -0.875 -0.462 0.234) 1.017 35.534 ( 14.531 1.567 0.026) 14.615 ======================= Grid point 41 (23/126) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -2.726 -5.504 -3.194) 6.923 1.614 ( 3.406 5.727 0.864) 6.720 1.896 ( -0.195 0.103 0.592) 0.632 2.163 ( 4.805 9.026 -1.500) 10.335 3.614 ( 11.679 20.381 -0.198) 23.490 4.142 ( 10.437 12.744 -1.259) 16.520 4.283 ( 4.760 4.422 -0.545) 6.519 4.351 ( -1.137 5.295 2.720) 6.061 5.220 ( -4.850 16.539 0.734) 17.251 5.333 ( 13.172 -2.120 -0.316) 13.345 5.612 ( -3.620 -7.392 2.205) 8.521 6.539 ( -9.797 -11.355 -0.261) 14.999 7.037 ( 2.672 4.455 -0.646) 5.235 7.430 ( 2.465 -1.610 -1.806) 3.454 8.036 ( -10.347 -9.425 -0.910) 14.026 8.174 ( 0.468 -3.200 1.320) 3.493 11.291 ( 0.842 6.287 0.959) 6.415 11.733 ( 8.021 -2.018 -0.391) 8.280 11.887 ( 1.502 1.676 -1.098) 2.504 12.000 ( 0.780 1.208 1.706) 2.231 12.150 ( 0.763 -6.159 -1.408) 6.364 12.367 ( -12.360 -1.073 -0.130) 12.407 13.966 ( -0.646 1.831 0.284) 1.962 14.144 ( -0.255 -4.870 -0.091) 4.878 17.489 ( -3.914 -6.698 2.043) 8.022 18.309 ( 6.330 2.186 -1.436) 6.850 18.781 ( -3.460 9.201 -2.829) 10.230 19.009 ( 3.537 -1.032 1.646) 4.036 27.380 ( 7.059 9.868 -0.081) 12.133 27.777 ( 0.401 5.930 -0.332) 5.953 28.338 ( 0.197 -2.039 -0.212) 2.059 28.815 ( -0.714 -0.719 0.142) 1.023 29.038 ( -1.041 -3.196 0.836) 3.463 31.946 ( 0.383 1.055 0.228) 1.145 35.057 ( 0.613 1.075 0.161) 1.248 35.321 ( -5.377 -9.264 -0.194) 10.713 ======================= Grid point 42 (24/126) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -0.547 -3.537 -4.665) 5.880 1.703 ( -0.593 6.406 0.413) 6.447 1.883 ( 0.443 -2.244 0.643) 2.376 2.287 ( 1.959 3.404 -1.710) 4.283 3.879 ( -5.541 22.843 0.105) 23.506 4.272 ( -1.232 2.612 -1.991) 3.508 4.385 ( 1.545 2.681 2.218) 3.807 4.497 ( 11.388 -2.341 0.831) 11.656 5.225 ( -10.777 16.861 0.273) 20.013 5.444 ( 0.091 -1.500 2.730) 3.116 5.708 ( 18.402 -2.084 -0.476) 18.526 6.145 ( -10.884 -20.818 0.018) 23.491 7.148 ( -4.497 13.966 -0.705) 14.690 7.541 ( 13.281 -5.639 -0.807) 14.451 7.752 ( -7.971 -11.168 -0.530) 13.731 8.151 ( -0.498 -1.770 0.022) 1.839 11.399 ( 1.481 9.914 1.265) 10.103 11.712 ( -11.431 6.185 0.491) 13.006 11.932 ( -1.129 3.667 -0.907) 3.942 12.031 ( 1.098 2.326 0.712) 2.669 12.107 ( -0.279 -5.912 -2.143) 6.295 12.259 ( 9.837 -13.831 -0.087) 16.972 13.985 ( 0.734 2.076 0.158) 2.207 14.089 ( -1.107 -3.896 0.038) 4.050 17.386 ( -0.529 -4.891 2.232) 5.403 18.385 ( -0.722 2.921 -2.036) 3.633 18.847 ( 1.659 6.823 -0.991) 7.091 19.016 ( -0.224 -3.247 0.540) 3.299 27.510 ( -6.707 16.281 -0.231) 17.610 27.900 ( 9.259 -2.111 -0.047) 9.496 28.281 ( -1.225 -5.529 -0.239) 5.668 28.811 ( -1.344 2.935 0.441) 3.258 28.987 ( 0.503 -5.081 0.456) 5.127 31.957 ( 0.644 -0.525 0.314) 0.889 35.088 ( 2.092 0.795 0.176) 2.245 35.176 ( -3.215 -4.833 -0.331) 5.814 ======================= Grid point 43 (25/126) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 3.098 -1.159 -4.309) 5.432 1.702 ( -5.284 3.726 0.763) 6.511 1.884 ( 1.822 -1.551 -0.358) 2.419 2.288 ( -3.698 -0.126 -0.807) 3.787 3.882 ( -16.966 16.464 -0.260) 23.643 4.258 ( -3.094 2.737 -1.452) 4.378 4.400 ( -2.270 -1.043 2.003) 3.202 4.485 ( -3.861 -10.012 0.856) 10.764 5.245 ( -6.136 17.158 -0.352) 18.225 5.485 ( 3.487 3.484 1.859) 5.268 5.609 ( -12.135 -17.741 1.031) 21.519 6.208 ( 25.448 -5.641 -0.378) 26.069 7.146 ( -10.893 12.020 -0.028) 16.222 7.465 ( -3.057 -8.997 -1.731) 9.659 7.835 ( 16.823 -5.697 -0.279) 17.764 8.132 ( -0.389 0.983 0.077) 1.060 11.431 ( -7.149 0.569 1.746) 7.381 11.646 ( -5.354 17.425 -0.335) 18.232 11.919 ( -2.791 1.877 -0.905) 3.483 12.038 ( -2.065 -2.451 -0.640) 3.268 12.078 ( 3.075 -0.438 -0.291) 3.120 12.329 ( 12.711 -15.585 -0.171) 20.112 14.007 ( -0.946 -1.312 0.197) 1.630 14.062 ( 2.157 1.044 -0.006) 2.396 17.387 ( 4.579 -2.035 2.290) 5.510 18.361 ( -4.991 3.538 -1.853) 6.392 18.921 ( -1.205 -3.101 -1.378) 3.601 18.964 ( -0.063 2.351 0.606) 2.429 27.503 ( -11.309 13.814 -0.110) 17.853 27.919 ( -1.171 -9.754 -0.203) 9.827 28.272 ( 4.554 -1.019 -0.300) 4.677 28.813 ( -1.681 2.558 0.351) 3.082 28.981 ( 3.615 -2.703 0.547) 4.546 31.958 ( 0.262 -0.892 0.396) 1.011 35.088 ( -1.730 -1.405 -0.164) 2.235 35.176 ( 5.809 0.347 0.040) 5.819 ======================= Grid point 54 (26/126) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 -0.000 -5.313) 5.313 1.814 ( -2.083 -4.165 0.220) 4.662 1.814 ( 2.083 4.165 0.220) 4.662 2.321 ( -0.000 -0.000 -1.129) 1.129 4.226 ( -4.417 -8.835 -0.737) 9.905 4.226 ( 4.417 8.835 -0.737) 9.905 4.425 ( -1.072 -2.143 1.389) 2.770 4.425 ( 1.072 2.143 1.389) 2.770 5.385 ( 0.000 -0.000 1.733) 1.733 5.624 ( -4.356 -8.713 0.048) 9.741 5.624 ( 4.356 8.713 0.048) 9.741 5.799 ( -0.000 0.000 0.731) 0.731 7.460 ( -0.000 -0.000 -1.487) 1.487 7.475 ( -6.547 -13.093 -0.152) 14.640 7.475 ( 6.547 13.093 -0.152) 14.640 8.138 ( 0.000 -0.000 -0.354) 0.354 11.512 ( -0.000 -0.000 2.339) 2.339 11.915 ( -5.804 -11.609 -0.312) 12.983 11.915 ( 5.804 11.609 -0.312) 12.983 11.979 ( -0.000 -0.000 -2.188) 2.188 12.074 ( -1.541 -3.082 -0.127) 3.448 12.074 ( 1.541 3.082 -0.127) 3.448 14.028 ( -0.942 -1.885 0.081) 2.109 14.028 ( 0.942 1.885 0.081) 2.109 17.333 ( 0.000 -0.000 2.407) 2.407 18.424 ( -0.000 -0.000 -2.231) 2.231 18.946 ( -1.356 -2.712 -0.194) 3.038 18.946 ( 1.356 2.712 -0.194) 3.038 27.787 ( -4.700 -9.401 -0.090) 10.511 27.787 ( 4.700 9.401 -0.090) 10.511 28.207 ( -0.000 -0.000 -0.421) 0.421 28.888 ( -2.055 -4.109 0.464) 4.618 28.888 ( 2.055 4.109 0.464) 4.618 31.950 ( -0.000 -0.000 0.428) 0.428 35.112 ( -0.830 -1.661 -0.091) 1.859 35.112 ( 0.830 1.661 -0.091) 1.859 ======================= Grid point 157 (27/126) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -0.000 -0.000 21.653) 21.653 0.494 ( -0.000 0.000 21.653) 21.653 0.668 ( 0.000 0.000 29.359) 29.359 1.545 ( 0.000 -0.000 -5.943) 5.943 1.545 ( 0.000 -0.000 -5.943) 5.943 2.289 ( 0.000 -0.000 -9.599) 9.599 3.632 ( 0.000 -0.000 -1.538) 1.538 3.632 ( -0.000 0.000 -1.538) 1.538 4.238 ( 0.000 -0.000 1.645) 1.645 4.238 ( 0.000 0.000 1.645) 1.645 6.662 ( 0.000 -0.000 -2.477) 2.477 6.662 ( -0.000 -0.000 -2.477) 2.477 6.778 ( 0.000 -0.000 0.433) 0.433 7.701 ( 0.000 0.000 0.051) 0.051 8.034 ( 0.000 -0.000 1.295) 1.295 8.034 ( 0.000 0.000 1.295) 1.295 10.905 ( 0.000 -0.000 0.001) 0.001 11.870 ( 0.000 -0.000 0.528) 0.528 11.870 ( 0.000 0.000 0.528) 0.528 12.260 ( 0.000 -0.000 -0.403) 0.403 12.260 ( -0.000 0.000 -0.403) 0.403 12.829 ( 0.000 0.000 -0.075) 0.075 14.396 ( -0.000 0.000 0.046) 0.046 14.718 ( -0.000 -0.000 0.079) 0.079 17.892 ( 0.000 -0.000 0.003) 0.003 17.892 ( 0.000 0.000 0.003) 0.003 18.031 ( 0.000 -0.000 0.022) 0.022 18.031 ( 0.000 0.000 0.022) 0.022 26.779 ( 0.000 -0.000 0.022) 0.022 26.779 ( -0.000 -0.000 0.022) 0.022 28.112 ( 0.000 -0.000 0.005) 0.005 28.112 ( 0.000 0.000 0.005) 0.005 29.272 ( -0.000 0.000 -0.026) 0.026 29.610 ( 0.000 0.000 -0.198) 0.198 36.618 ( 0.000 0.000 -0.330) 0.330 36.684 ( 0.000 -0.000 0.288) 0.288 ======================= Grid point 158 (28/126) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 3.891 10.099 15.986) 19.305 0.776 ( 18.988 8.602 15.322) 25.871 1.086 ( 28.171 14.942 14.930) 35.211 1.590 ( 4.466 3.276 -6.563) 8.588 1.789 ( 18.710 10.280 -6.660) 22.363 1.922 ( -16.612 -10.840 3.622) 20.164 3.652 ( 2.748 1.612 -0.990) 3.337 3.756 ( 9.854 3.820 -0.804) 10.599 4.289 ( 5.840 -0.008 -0.515) 5.863 4.464 ( 9.484 10.292 0.601) 14.009 6.633 ( -7.154 -5.817 -0.503) 9.234 6.693 ( -0.868 0.740 -2.245) 2.518 6.760 ( 8.187 4.680 -1.821) 9.604 7.476 ( -8.132 0.126 8.423) 11.709 8.042 ( 1.816 -0.052 0.739) 1.961 8.706 ( 20.029 9.649 -29.868) 37.234 10.933 ( 2.759 1.526 -0.286) 3.165 11.844 ( -2.392 -1.245 -0.334) 2.717 12.056 ( 8.458 4.165 -7.357) 11.959 12.211 ( -2.827 -2.929 -0.435) 4.093 12.267 ( 0.554 1.858 -1.141) 2.250 12.776 ( -5.197 -2.197 1.573) 5.857 14.356 ( -13.667 -7.209 6.896) 16.921 14.396 ( -5.570 -3.187 2.045) 6.736 17.843 ( -5.278 2.578 -0.042) 5.874 18.001 ( 11.624 -12.060 -0.576) 16.760 18.125 ( 9.445 3.496 0.963) 10.117 18.331 ( 10.819 18.522 -11.387) 24.285 26.779 ( -0.068 0.322 -0.022) 0.329 26.947 ( 13.321 7.113 1.051) 15.137 28.118 ( 0.530 0.069 -0.041) 0.536 28.785 ( 19.485 11.537 -22.071) 31.621 29.341 ( -1.043 -0.477 4.695) 4.833 29.979 ( 39.897 23.579 -41.669) 62.322 36.085 ( -33.399 -18.977 32.003) 49.998 36.530 ( -8.006 -4.655 -0.449) 9.272 ======================= Grid point 159 (29/126) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 11.685 14.121 3.575) 18.674 1.156 ( 14.228 5.948 9.430) 18.076 1.561 ( 13.994 7.347 8.058) 17.741 1.595 ( -9.524 -7.241 -2.174) 12.160 1.801 ( 12.781 8.297 -6.074) 16.404 2.422 ( 33.891 19.631 0.759) 39.174 3.752 ( 4.935 4.132 0.442) 6.452 3.993 ( 12.711 2.752 0.311) 13.009 4.423 ( 7.455 2.953 -2.019) 8.269 4.723 ( 10.123 9.304 1.829) 13.870 6.391 ( -11.558 -8.060 -0.937) 14.122 6.690 ( 0.723 -2.499 -0.314) 2.620 7.012 ( 12.144 9.664 0.599) 15.531 7.343 ( -8.934 0.945 4.872) 10.220 8.094 ( 4.042 -0.010 -0.008) 4.042 8.819 ( -4.499 -3.628 -17.618) 18.542 11.024 ( 4.943 2.462 -0.537) 5.548 11.779 ( -2.527 -2.192 -2.018) 3.907 12.012 ( -9.967 -1.330 -1.816) 10.218 12.158 ( -2.276 -5.071 -0.084) 5.559 12.360 ( 3.876 4.387 -3.274) 6.708 12.648 ( -3.661 -3.208 2.215) 5.348 14.083 ( -7.592 -4.222 3.175) 9.249 14.360 ( -1.366 -0.702 -0.305) 1.566 17.769 ( -7.105 3.494 0.241) 7.922 18.052 ( 6.271 -5.927 -2.876) 9.096 18.329 ( 12.162 -3.203 -0.194) 12.578 18.648 ( 8.092 14.287 -1.650) 16.502 26.784 ( 0.139 0.720 -0.065) 0.736 27.316 ( 18.746 9.126 3.329) 21.114 28.130 ( 0.352 0.604 -0.129) 0.711 28.964 ( 2.667 1.647 -7.583) 8.206 29.218 ( -7.806 -3.805 3.723) 9.449 30.876 ( 31.549 18.550 -43.651) 56.963 35.518 ( -16.839 -9.248 29.199) 34.952 36.279 ( -13.366 -7.818 -1.843) 15.594 ======================= Grid point 160 (30/126) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 9.262 11.774 0.971) 15.011 1.348 ( -1.700 -0.331 0.417) 1.781 1.446 ( 8.335 -1.071 -3.497) 9.102 1.800 ( 7.993 4.690 7.568) 11.965 2.192 ( 18.611 11.713 -2.963) 22.189 3.206 ( 32.533 18.880 0.761) 37.622 3.878 ( 4.317 4.305 1.813) 6.361 4.226 ( 11.269 2.357 1.259) 11.581 4.574 ( 6.338 1.950 -1.435) 6.784 5.013 ( 12.887 10.349 -0.783) 16.546 6.099 ( -12.545 -8.276 -0.244) 15.031 6.676 ( 0.716 -1.926 0.924) 2.253 7.178 ( -9.433 -2.121 1.045) 9.725 7.346 ( 13.749 11.058 2.754) 17.857 8.167 ( 4.691 -1.038 -0.318) 4.815 8.594 ( -13.603 -7.345 -9.076) 17.927 11.123 ( 3.766 0.793 -0.145) 3.851 11.736 ( -0.133 -3.882 -1.523) 4.172 11.791 ( -13.931 1.962 -2.462) 14.282 12.028 ( -5.142 -5.174 0.142) 7.296 12.369 ( -4.642 0.747 0.864) 4.781 12.689 ( 9.247 -0.590 0.213) 9.269 13.971 ( -2.878 -1.932 0.466) 3.497 14.327 ( -1.931 -0.454 -0.350) 2.014 17.668 ( -7.013 1.050 -0.100) 7.092 18.119 ( 3.909 1.857 -3.237) 5.405 18.466 ( 9.301 -6.049 -1.093) 11.149 18.897 ( 6.804 9.544 3.327) 12.184 26.798 ( 0.510 0.935 -0.089) 1.069 27.725 ( 18.724 6.574 3.667) 20.180 28.143 ( -0.516 2.569 -0.041) 2.621 28.987 ( -2.119 -1.511 0.841) 2.735 29.063 ( -4.161 -0.941 -2.940) 5.181 31.437 ( 18.573 10.614 -23.376) 31.687 35.258 ( -7.404 -3.858 17.036) 18.972 35.944 ( -15.135 -8.902 -2.779) 17.778 ======================= Grid point 161 (31/126) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -4.335 -2.816 0.685) 5.215 1.390 ( 2.459 3.523 2.395) 4.919 1.758 ( 15.777 6.993 -8.462) 19.221 1.954 ( 6.057 3.305 9.560) 11.790 2.601 ( 15.138 10.073 -1.437) 18.240 3.861 ( 24.020 13.916 -1.702) 27.812 3.974 ( 2.551 2.857 2.054) 4.346 4.427 ( 8.899 3.367 1.629) 9.653 4.656 ( 2.685 -1.094 -0.425) 2.930 5.378 ( 15.840 12.084 -2.333) 20.059 5.813 ( -11.143 -7.299 0.480) 13.329 6.681 ( 0.257 0.694 1.098) 1.324 6.987 ( -8.021 -4.672 -1.007) 9.337 7.676 ( 12.868 7.826 2.887) 15.335 8.214 ( 0.562 -5.809 -0.305) 5.844 8.259 ( -13.877 -3.580 -4.171) 14.927 11.147 ( 0.078 -3.161 -0.146) 3.165 11.511 ( -14.353 0.132 -0.282) 14.357 11.785 ( 2.174 1.082 -2.080) 3.198 11.933 ( -0.643 -1.692 -0.890) 2.017 12.277 ( -5.143 -1.767 1.014) 5.531 12.867 ( 10.322 0.538 1.222) 10.408 13.932 ( -0.104 -0.629 -0.222) 0.675 14.276 ( -3.616 -0.501 -0.261) 3.660 17.561 ( -5.492 -0.424 -0.433) 5.526 18.219 ( 2.451 6.919 -2.613) 7.792 18.535 ( 6.709 -7.600 -0.748) 10.165 19.063 ( 3.848 5.262 3.439) 7.370 26.818 ( 0.728 0.837 -0.075) 1.112 28.046 ( 14.253 -2.907 1.725) 14.648 28.181 ( -0.300 9.829 1.023) 9.886 28.862 ( -6.034 -3.339 0.876) 6.952 29.071 ( 1.126 1.763 -2.389) 3.175 31.764 ( 10.722 5.940 -10.480) 16.127 35.153 ( -2.511 -1.178 8.701) 9.133 35.609 ( -13.516 -7.991 -2.823) 15.953 ======================= Grid point 162 (32/126) ======================= q-point: ( 0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -0.908 -1.717 3.621) 4.109 1.439 ( 0.566 1.619 1.768) 2.463 1.965 ( 2.768 1.543 0.242) 3.178 2.144 ( 11.092 4.584 2.524) 12.265 2.883 ( 8.019 5.793 -0.703) 9.917 4.021 ( 0.713 0.896 1.124) 1.604 4.288 ( 13.414 6.594 -3.338) 15.315 4.571 ( -0.310 4.180 0.975) 4.304 4.697 ( 7.764 -0.288 -0.493) 7.785 5.512 ( -10.707 -4.718 -2.512) 11.967 5.804 ( 13.017 8.680 0.659) 15.659 6.680 ( -0.054 -0.829 0.664) 1.063 6.848 ( -3.316 -3.217 -1.711) 4.926 7.863 ( -6.452 1.253 -0.646) 6.604 7.972 ( 2.007 -3.958 1.552) 4.701 8.246 ( 0.559 0.008 0.275) 0.623 11.066 ( -4.068 -4.248 -0.116) 5.882 11.343 ( -6.188 2.231 -0.973) 6.649 11.798 ( -0.089 -0.903 0.110) 0.914 11.991 ( 5.132 2.670 -1.260) 5.920 12.161 ( -5.482 -3.101 0.169) 6.301 13.026 ( 6.961 0.458 2.057) 7.273 13.961 ( 3.486 0.805 -0.400) 3.600 14.187 ( -5.872 -1.015 -0.193) 5.962 17.482 ( -3.091 -0.306 -0.407) 3.132 18.330 ( 1.550 7.953 -1.898) 8.322 18.550 ( 4.001 -7.476 -0.246) 8.482 19.135 ( 0.700 1.672 2.162) 2.822 26.837 ( 0.571 0.441 -0.032) 0.722 28.134 ( 2.826 -2.287 0.033) 3.635 28.341 ( 5.412 6.393 1.522) 8.514 28.741 ( -4.447 -2.495 0.030) 5.099 29.106 ( 0.836 1.379 -0.980) 1.887 31.940 ( 5.079 2.820 -4.199) 7.168 35.139 ( 1.077 0.743 3.817) 4.035 35.340 ( -9.488 -5.630 -1.979) 11.209 ======================= Grid point 163 (33/126) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 2.022 -0.429 5.174) 5.572 1.446 ( -0.862 0.552 1.394) 1.729 1.962 ( -2.704 -1.268 2.471) 3.876 2.323 ( 5.142 1.351 2.213) 5.759 2.985 ( 0.315 0.458 -0.297) 0.630 4.014 ( -1.482 -1.151 -0.034) 1.877 4.434 ( -1.848 0.427 -3.156) 3.682 4.552 ( 0.774 0.319 0.149) 0.851 4.854 ( 2.214 0.809 0.256) 2.371 5.304 ( -4.286 -1.367 -4.763) 6.552 6.003 ( 1.888 0.959 1.629) 2.672 6.704 ( 1.360 0.014 -0.026) 1.361 6.777 ( -1.494 -0.032 -1.357) 2.018 7.737 ( 0.144 -1.773 -1.713) 2.469 8.036 ( 0.707 1.283 3.000) 3.338 8.248 ( -0.481 -0.240 0.681) 0.868 10.997 ( 0.043 0.025 -0.094) 0.106 11.310 ( -0.150 0.718 -1.207) 1.412 11.790 ( 0.109 -0.280 0.293) 0.420 12.029 ( -5.686 -3.486 -0.325) 6.677 12.115 ( 5.356 2.744 -0.684) 6.057 13.101 ( 1.126 0.286 2.517) 2.772 14.053 ( -0.064 0.180 -0.619) 0.648 14.073 ( -0.164 0.032 0.003) 0.167 17.453 ( -0.462 0.683 -0.328) 0.887 18.408 ( 1.981 -0.245 -1.400) 2.438 18.541 ( -0.010 0.531 0.091) 0.538 19.124 ( -1.999 -1.517 1.041) 2.717 26.845 ( 0.122 -0.084 0.004) 0.148 28.146 ( -0.011 0.079 0.069) 0.105 28.420 ( -0.743 -0.699 0.680) 1.226 28.682 ( -0.097 0.296 -0.014) 0.312 29.122 ( 0.055 0.236 -0.545) 0.597 32.002 ( 0.449 0.384 -2.265) 2.341 35.171 ( -3.772 -2.180 -0.203) 4.362 35.213 ( 3.985 2.262 0.942) 4.678 ======================= Grid point 165 (34/126) ======================= q-point: (-0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 3.830 0.501 4.191) 5.699 1.421 ( -2.269 -0.250 1.381) 2.668 1.848 ( -7.963 -3.808 -0.759) 8.859 2.333 ( -3.081 -2.784 5.188) 6.645 2.906 ( -6.988 -4.662 -0.152) 8.402 3.951 ( -2.791 -3.635 -0.808) 4.654 4.277 ( -13.427 -4.545 -2.993) 14.488 4.566 ( -1.279 -3.837 0.803) 4.124 4.716 ( -9.028 -1.150 -0.249) 9.105 5.432 ( 10.599 6.922 -3.447) 13.120 5.865 ( -11.903 -8.941 1.172) 14.932 6.680 ( -1.631 0.764 0.645) 1.913 6.843 ( 4.526 3.134 -1.689) 5.759 7.788 ( 2.470 -5.349 -1.038) 5.982 8.061 ( 3.510 6.210 2.165) 7.454 8.231 ( -1.175 0.661 0.010) 1.348 11.069 ( 4.275 4.408 -0.053) 6.141 11.348 ( 5.622 -1.286 -0.905) 5.838 11.797 ( 0.302 0.509 0.063) 0.595 11.903 ( -4.883 -2.263 -1.906) 5.710 12.225 ( 4.793 1.456 0.505) 5.035 13.073 ( -4.618 0.551 2.876) 5.469 13.954 ( -4.197 -0.789 -0.572) 4.308 14.190 ( 6.146 1.300 -0.133) 6.283 17.478 ( 2.023 1.435 -0.475) 2.525 18.377 ( 1.341 -10.254 -1.087) 10.399 18.575 ( -3.221 10.195 -0.200) 10.694 19.038 ( -4.369 -4.709 0.825) 6.476 26.839 ( -0.343 -0.573 0.016) 0.668 28.131 ( -3.761 2.584 -0.015) 4.563 28.310 ( -5.592 -7.872 0.921) 9.700 28.736 ( 3.521 2.422 -0.205) 4.279 29.115 ( -0.500 -0.383 -0.676) 0.924 31.964 ( -4.035 -2.035 -3.732) 5.861 35.117 ( -0.462 -0.138 2.886) 2.926 35.371 ( 9.228 5.240 -0.888) 10.649 ======================= Grid point 166 (35/126) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 3.701 -0.087 2.275) 4.345 1.368 ( -2.854 -0.006 1.583) 3.264 1.601 ( -14.555 -6.834 -5.181) 16.894 2.187 ( -8.072 -5.383 7.303) 12.144 2.658 ( -13.883 -8.673 -0.133) 16.370 3.771 ( -17.362 -14.534 -2.527) 22.783 3.955 ( -9.253 -2.650 0.863) 9.664 4.404 ( -9.397 -3.869 1.186) 10.232 4.663 ( -2.128 2.150 -0.354) 3.045 5.425 ( -16.139 -12.544 -1.794) 20.519 5.778 ( 11.529 8.595 -0.026) 14.380 6.648 ( -1.776 -1.397 0.644) 2.350 6.989 ( 7.494 4.416 -0.841) 8.739 7.608 ( -11.044 -9.744 0.729) 14.746 8.210 ( -2.676 2.895 -0.141) 3.945 8.341 ( 15.459 7.912 -2.087) 17.491 11.154 ( -0.147 3.240 -0.001) 3.243 11.511 ( 13.859 -0.143 -0.266) 13.863 11.765 ( -3.493 -0.297 -2.981) 4.602 11.888 ( 3.209 2.615 -0.396) 4.159 12.304 ( 3.803 -0.489 0.857) 3.929 12.968 ( -8.006 1.288 2.890) 8.609 13.914 ( -0.337 0.644 -0.595) 0.940 14.289 ( 4.045 0.746 -0.039) 4.114 17.546 ( 4.348 1.079 -0.700) 4.534 18.277 ( -1.452 -9.175 -1.668) 9.437 18.606 ( -4.780 9.316 -1.258) 10.546 18.880 ( -6.666 -7.932 2.045) 10.561 26.823 ( -0.569 -0.885 0.020) 1.052 27.986 ( -16.212 -0.742 0.797) 16.249 28.175 ( 1.362 -7.956 0.596) 8.093 28.829 ( 4.176 2.528 -0.326) 4.893 29.107 ( -0.138 0.443 -1.075) 1.171 31.816 ( -9.503 -5.141 -9.440) 14.347 35.150 ( 3.092 2.093 8.353) 9.149 35.627 ( 13.093 7.428 -2.195) 15.212 ======================= Grid point 167 (36/126) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -15.567 -8.442 -0.613) 17.719 1.254 ( -8.895 -3.808 -0.181) 9.678 1.440 ( 5.180 2.975 -1.365) 6.128 1.976 ( -9.444 -6.587 7.389) 13.681 2.280 ( -18.289 -9.899 -0.618) 20.805 3.134 ( -32.519 -19.391 -0.556) 37.865 3.870 ( -0.925 -4.220 1.801) 4.680 4.192 ( -11.190 -3.613 0.628) 11.776 4.617 ( -5.426 0.388 -0.544) 5.467 5.007 ( -16.087 -11.754 -1.183) 19.959 6.096 ( 13.772 8.923 -0.532) 16.419 6.610 ( -1.405 -0.002 0.213) 1.421 7.133 ( 3.603 -2.050 1.727) 4.491 7.317 ( -9.422 -4.770 -0.178) 10.562 8.173 ( -4.019 1.758 -0.134) 4.388 8.676 ( 13.609 6.401 -6.714) 16.470 11.126 ( -3.755 -1.341 -0.080) 3.988 11.721 ( -0.041 5.457 -1.679) 5.710 11.787 ( 13.517 -1.135 -2.331) 13.763 12.020 ( 7.122 4.946 0.235) 8.674 12.340 ( 2.049 -2.749 0.291) 3.441 12.846 ( -7.649 2.451 2.116) 8.306 13.956 ( 3.471 2.597 0.305) 4.346 14.346 ( 2.121 0.466 -0.029) 2.172 17.643 ( 6.512 -0.585 -0.595) 6.565 18.152 ( -4.893 -4.687 -2.841) 7.347 18.577 ( -5.895 0.023 -5.891) 8.334 18.667 ( -8.767 -5.019 6.420) 11.970 26.805 ( -0.493 -0.894 0.035) 1.022 27.629 ( -19.049 -7.625 1.592) 20.580 28.145 ( 0.825 -3.346 0.057) 3.447 28.915 ( 2.824 1.622 -1.554) 3.608 29.135 ( 2.373 2.391 -0.348) 3.387 31.515 ( -17.792 -9.879 -21.795) 29.819 35.271 ( 7.489 4.777 17.129) 19.296 35.952 ( 14.875 8.451 -2.582) 17.302 ======================= Grid point 168 (37/126) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -16.404 -6.024 2.146) 17.607 1.049 ( -11.681 -6.641 7.484) 15.380 1.583 ( 3.397 2.846 0.992) 4.541 1.731 ( -7.810 -7.577 6.200) 12.524 1.888 ( -15.984 -6.949 -2.276) 17.578 2.344 ( -33.614 -20.378 -1.284) 39.329 3.802 ( -1.107 -6.431 1.653) 6.731 3.951 ( -12.190 -3.733 -0.458) 12.757 4.473 ( -8.378 -4.611 -1.303) 9.651 4.677 ( -12.225 -5.491 0.798) 13.425 6.403 ( 12.114 7.192 -1.397) 14.157 6.607 ( 0.268 1.317 -0.741) 1.535 6.945 ( -9.313 -8.958 1.184) 12.976 7.345 ( 3.517 5.384 2.662) 6.960 8.116 ( -3.373 -0.176 0.424) 3.404 8.886 ( 4.618 1.050 -15.604) 16.307 11.025 ( -4.737 -2.859 -0.492) 5.555 11.776 ( 1.562 4.195 -1.859) 4.847 12.009 ( 10.824 0.796 -1.687) 10.983 12.185 ( 4.954 4.325 0.180) 6.579 12.305 ( -2.659 -4.456 -2.458) 5.741 12.779 ( -2.780 3.078 1.046) 4.277 14.096 ( 8.613 5.740 3.503) 10.927 14.377 ( 1.168 0.416 0.002) 1.240 17.753 ( 8.338 -3.395 -0.012) 9.002 18.020 ( -8.098 0.834 -3.671) 8.930 18.355 ( -6.628 -15.349 -0.390) 16.724 18.541 ( -9.861 4.994 -1.685) 11.182 26.790 ( -0.296 -0.608 0.051) 0.678 27.222 ( -17.400 -8.978 1.559) 19.641 28.129 ( 0.038 -1.523 -0.098) 1.527 28.940 ( -0.997 -0.391 -6.711) 6.796 29.238 ( 5.317 3.714 3.171) 7.220 30.961 ( -32.509 -18.193 -42.239) 56.320 35.534 ( 16.257 9.878 29.280) 34.917 36.280 ( 13.308 7.588 -1.838) 15.429 ======================= Grid point 169 (38/126) ======================= q-point: (-0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -6.814 1.344 16.919) 18.289 0.719 ( -15.565 -9.292 14.679) 23.325 1.158 ( -30.855 -18.767 15.657) 39.361 1.626 ( -7.501 -3.162 -5.376) 9.755 1.750 ( -15.884 -10.106 -7.537) 20.279 1.924 ( 17.600 8.755 3.129) 19.905 3.704 ( -2.243 -7.007 -0.454) 7.371 3.726 ( -9.615 -1.579 -1.394) 9.843 4.298 ( -3.943 -6.329 0.457) 7.470 4.443 ( -12.409 -1.717 -0.501) 12.537 6.619 ( 3.309 3.911 -1.727) 5.406 6.660 ( 6.697 2.321 -1.178) 7.185 6.750 ( -5.595 -4.078 -0.593) 6.949 7.463 ( 4.388 6.356 7.241) 10.587 8.063 ( -1.829 -1.173 1.089) 2.430 8.737 ( -20.439 -13.799 -29.534) 38.476 10.933 ( -2.720 -1.632 -0.280) 3.184 11.841 ( 1.937 1.977 -0.365) 2.791 12.077 ( -7.725 -7.575 -7.806) 13.341 12.211 ( 1.616 2.272 -0.930) 2.939 12.257 ( 0.744 0.684 -0.098) 1.015 12.802 ( 1.361 1.922 0.564) 2.422 14.361 ( 8.369 5.342 3.920) 10.674 14.422 ( 8.604 5.316 4.778) 11.186 17.853 ( 8.897 -7.242 0.310) 11.476 17.909 ( -6.224 3.728 -1.638) 7.437 18.125 ( -4.443 -10.131 0.582) 11.078 18.346 ( -17.606 -0.563 -9.342) 19.939 26.783 ( -0.202 -0.181 0.049) 0.276 26.901 ( -10.158 -5.842 0.971) 11.758 28.117 ( -0.196 -0.586 -0.055) 0.620 28.791 ( -18.840 -10.553 -20.884) 30.041 29.339 ( 0.880 0.627 4.380) 4.511 30.018 ( -43.863 -24.750 -42.391) 65.830 36.092 ( 32.575 19.115 31.855) 49.409 36.530 ( 8.018 4.596 -0.461) 9.254 ======================= Grid point 171 (39/126) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 12.307 11.143 6.412) 17.797 1.019 ( 11.296 13.800 9.569) 20.239 1.524 ( 5.753 20.246 9.657) 23.157 1.664 ( -8.196 -10.700 -1.362) 13.547 1.786 ( 5.083 16.458 -4.391) 17.776 2.159 ( 20.123 26.574 -1.452) 33.365 3.729 ( 2.760 4.843 0.230) 5.579 3.895 ( 4.589 9.877 -0.182) 10.892 4.393 ( 3.357 9.753 -1.770) 10.465 4.663 ( 7.971 9.429 1.989) 12.506 6.478 ( -7.668 -9.833 -1.667) 12.580 6.628 ( 1.037 -4.041 0.421) 4.194 6.897 ( 9.068 7.887 -0.490) 12.028 7.440 ( -0.299 -3.837 5.244) 6.505 8.079 ( -0.911 3.607 0.511) 3.755 8.855 ( -2.067 1.230 -20.630) 20.770 10.995 ( 2.538 4.532 -0.558) 5.224 11.801 ( -2.821 -2.585 -1.656) 4.169 12.086 ( 2.226 -7.554 -1.011) 7.940 12.176 ( -5.971 3.323 -2.636) 7.324 12.287 ( 4.444 -1.036 -2.482) 5.195 12.734 ( -7.360 -1.104 1.829) 7.664 14.152 ( -6.920 -9.700 4.943) 12.900 14.371 ( -1.348 -1.179 -0.200) 1.802 17.814 ( 8.012 -6.992 -0.853) 10.668 18.019 ( -7.507 13.850 -1.873) 15.865 18.136 ( 6.491 -0.412 -1.400) 6.653 18.625 ( 9.051 9.949 -2.644) 13.708 26.827 ( 1.501 2.967 -0.459) 3.357 27.110 ( 10.231 11.404 2.413) 15.510 28.132 ( 1.367 1.110 -0.133) 1.766 28.938 ( 2.421 3.072 -9.132) 9.934 29.273 ( -3.679 -5.528 4.404) 7.968 30.711 ( 18.266 38.706 -48.227) 64.480 35.643 ( -12.289 -19.990 32.310) 39.932 36.357 ( -7.140 -12.287 -1.527) 14.293 ======================= Grid point 172 (40/126) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 13.849 14.464 -2.810) 20.221 1.279 ( 7.102 5.934 6.043) 11.052 1.445 ( -7.582 -6.174 -3.434) 10.364 1.758 ( 4.822 10.569 8.056) 14.137 2.131 ( 10.740 24.011 -2.883) 26.461 2.856 ( 29.183 22.917 0.620) 37.111 3.871 ( 5.606 6.901 1.450) 9.008 4.075 ( 7.252 6.114 0.478) 9.498 4.556 ( 3.149 10.104 -2.025) 10.775 4.909 ( 10.461 8.801 0.884) 13.699 6.218 ( -10.955 -9.112 -0.918) 14.279 6.606 ( 2.093 -4.340 1.675) 5.102 7.151 ( 10.106 4.800 -0.712) 11.210 7.370 ( -3.711 -0.715 4.122) 5.592 8.111 ( 0.902 2.921 -0.245) 3.067 8.718 ( -8.943 -7.374 -11.170) 16.097 11.092 ( 2.876 4.178 -0.306) 5.081 11.721 ( -2.058 -2.801 -2.606) 4.345 12.004 ( -4.497 -3.225 -0.554) 5.561 12.071 ( -7.995 -1.569 -1.105) 8.222 12.393 ( 9.395 -2.655 -1.646) 9.901 12.562 ( -8.290 -2.991 3.096) 9.341 14.002 ( -3.436 -3.397 1.078) 4.950 14.336 ( -0.936 -1.855 -0.350) 2.107 17.819 ( -4.017 -2.233 0.238) 4.602 18.068 ( 2.474 9.579 -3.315) 10.434 18.259 ( 7.942 -2.905 -2.229) 8.746 18.859 ( 7.895 7.458 2.561) 11.158 26.871 ( -2.085 7.146 -0.315) 7.450 27.434 ( 16.896 4.327 2.766) 17.659 28.184 ( 1.569 4.006 0.274) 4.311 28.977 ( 1.013 -0.808 -2.494) 2.811 29.138 ( -5.603 -3.338 0.624) 6.552 31.286 ( 15.052 20.105 -29.519) 38.758 35.335 ( -7.848 -8.234 21.150) 24.015 36.066 ( -11.371 -13.085 -2.603) 17.530 ======================= Grid point 173 (41/126) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -5.147 -5.350 -1.707) 7.618 1.410 ( 1.586 5.931 2.960) 6.816 1.565 ( 15.450 11.057 -7.739) 20.515 1.916 ( 3.949 6.568 9.642) 12.317 2.566 ( 9.942 24.673 -1.915) 26.669 3.545 ( 27.654 15.253 -0.800) 31.592 4.015 ( 1.694 8.719 2.905) 9.345 4.268 ( 10.126 2.306 0.634) 10.404 4.678 ( -0.108 8.477 -1.178) 8.559 5.210 ( 14.903 8.569 -1.065) 17.224 5.938 ( -11.638 -7.757 -0.058) 13.986 6.631 ( 4.138 -1.566 1.505) 4.673 7.117 ( -10.340 -3.782 -0.645) 11.029 7.494 ( 13.201 1.784 2.139) 13.491 8.157 ( 1.301 1.266 0.017) 1.815 8.443 ( -12.790 -8.293 -5.392) 16.168 11.146 ( -0.370 1.768 -0.074) 1.808 11.692 ( -1.455 0.042 -0.951) 1.739 11.863 ( -11.836 3.383 -3.205) 12.721 11.932 ( -1.992 -3.511 0.281) 4.047 12.370 ( -8.055 -0.648 1.625) 8.242 12.589 ( 15.684 -8.716 0.851) 17.963 13.942 ( -1.562 -0.704 0.037) 1.713 14.299 ( -1.030 -2.431 -0.338) 2.662 17.691 ( -8.048 -0.279 -0.066) 8.053 18.235 ( 4.100 9.846 -4.007) 11.393 18.344 ( 7.375 -5.439 -0.743) 9.193 19.033 ( 5.243 4.442 3.803) 7.854 26.901 ( -3.693 9.072 -0.138) 9.796 27.741 ( 16.892 -1.965 1.487) 17.071 28.260 ( 1.140 6.478 1.071) 6.664 28.924 ( -4.366 -3.820 1.586) 6.014 29.075 ( -0.371 1.180 -2.786) 3.049 31.651 ( 10.654 10.092 -14.414) 20.570 35.184 ( -3.625 -3.400 11.599) 12.618 35.734 ( -12.161 -11.723 -2.977) 17.152 ======================= Grid point 174 (42/126) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -2.473 -3.701 1.355) 4.653 1.474 ( -0.279 4.851 1.807) 5.184 1.881 ( 10.000 4.344 -6.926) 12.917 2.047 ( 5.685 6.271 8.981) 12.341 2.917 ( 3.891 20.731 -1.144) 21.124 4.017 ( 8.293 5.935 -0.360) 10.204 4.152 ( 8.672 10.499 -0.510) 13.627 4.472 ( 12.136 1.832 0.998) 12.314 4.718 ( -4.002 7.081 -0.469) 8.147 5.582 ( 15.788 7.918 -1.867) 17.760 5.675 ( -8.609 -6.579 0.330) 10.840 6.675 ( 0.085 -2.067 1.429) 2.514 6.890 ( -7.596 -4.398 -1.900) 8.980 7.732 ( 14.120 -1.748 1.614) 14.319 8.067 ( -11.826 -7.486 -1.559) 14.083 8.245 ( -1.468 0.123 -0.031) 1.473 11.125 ( -3.505 1.646 -0.157) 3.876 11.552 ( -13.546 3.235 -0.268) 13.929 11.804 ( -0.537 0.903 -1.176) 1.577 11.938 ( 3.382 2.237 -0.896) 4.153 12.229 ( -6.220 -2.867 0.591) 6.874 12.779 ( 15.773 -8.787 1.506) 18.119 13.933 ( 0.631 0.622 -0.126) 0.895 14.243 ( -2.728 -2.892 -0.275) 3.985 17.563 ( -5.926 -0.461 -0.204) 5.947 18.333 ( 1.381 -0.369 -3.124) 3.436 18.458 ( 6.171 5.328 -0.172) 8.155 19.122 ( 2.046 0.910 2.948) 3.703 26.924 ( -4.471 9.577 -0.068) 10.569 27.966 ( 12.284 -3.327 0.191) 12.728 28.343 ( 1.729 4.792 1.393) 5.282 28.806 ( -5.197 -2.111 0.553) 5.637 29.096 ( 1.067 0.304 -1.349) 1.747 31.869 ( 6.724 4.294 -6.005) 9.985 35.131 ( -0.271 -1.041 5.584) 5.686 35.438 ( -9.967 -8.775 -2.503) 13.514 ======================= Grid point 175 (43/126) ======================= q-point: ( 0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 0.982 -2.328 4.368) 5.045 1.500 ( -1.997 4.386 1.135) 4.951 1.970 ( 0.623 -0.992 1.858) 2.196 2.236 ( 7.360 4.149 1.787) 8.636 3.097 ( -3.868 15.437 -0.405) 15.919 4.071 ( -2.739 3.761 0.332) 4.665 4.378 ( 6.403 2.754 -2.951) 7.569 4.668 ( -4.487 5.806 0.394) 7.348 4.749 ( 9.342 4.286 -0.301) 10.282 5.417 ( -10.382 -3.636 -3.245) 11.469 5.931 ( 10.310 3.347 0.871) 10.875 6.583 ( 2.732 -9.075 0.637) 9.498 6.830 ( -2.103 1.801 -1.647) 3.221 7.785 ( -9.646 -7.176 -1.333) 12.096 7.944 ( 11.279 0.130 1.735) 11.412 8.233 ( -0.440 -2.213 1.177) 2.545 11.079 ( -5.042 5.673 -0.027) 7.590 11.393 ( -7.791 2.801 -0.789) 8.317 11.804 ( -0.793 1.622 -0.091) 1.808 12.045 ( 4.733 2.392 0.754) 5.356 12.099 ( -5.189 -2.860 -1.585) 6.133 12.935 ( 12.237 -9.195 1.987) 15.435 13.981 ( 3.995 1.112 -0.159) 4.150 14.146 ( -4.948 -2.942 -0.271) 5.763 17.490 ( -2.396 0.315 -0.116) 2.419 18.319 ( 0.837 -5.526 -1.773) 5.863 18.614 ( 2.102 10.638 -0.088) 10.844 19.124 ( -0.719 -2.647 1.461) 3.108 26.936 ( -5.090 9.369 -0.070) 10.663 28.095 ( 5.584 -1.461 -0.038) 5.772 28.400 ( 1.663 -0.767 0.807) 2.001 28.720 ( -3.322 0.528 0.178) 3.368 29.107 ( 0.862 -1.382 -0.600) 1.736 31.975 ( 2.994 0.692 -2.446) 3.928 35.152 ( 2.994 0.419 1.977) 3.613 35.232 ( -5.766 -4.962 -1.164) 7.695 ======================= Grid point 176 (44/126) ======================= q-point: (-0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 3.670 -1.201 4.936) 6.267 1.492 ( -3.575 3.848 0.882) 5.326 1.919 ( -4.151 -2.904 1.227) 5.213 2.329 ( 1.148 -1.001 3.193) 3.537 3.094 ( -11.341 10.611 -0.017) 15.531 4.024 ( -5.887 1.648 -1.166) 6.223 4.412 ( -4.418 -2.581 -2.896) 5.879 4.593 ( -6.044 1.156 0.593) 6.182 4.837 ( -3.729 0.627 0.362) 3.799 5.364 ( 4.538 6.685 -3.927) 8.984 5.917 ( -6.112 -9.677 1.559) 11.552 6.667 ( 7.724 -3.238 -0.073) 8.376 6.809 ( -0.584 3.435 -1.227) 3.694 7.653 ( 2.285 -6.454 -1.627) 7.037 8.091 ( 1.738 3.557 2.674) 4.777 8.199 ( 2.926 -4.102 0.306) 5.048 11.105 ( -0.661 10.687 0.049) 10.708 11.327 ( -2.697 0.846 -0.620) 2.894 11.810 ( -0.541 1.951 0.077) 2.026 11.973 ( -5.386 -1.942 -1.763) 5.991 12.155 ( 4.767 1.135 0.361) 4.913 13.004 ( 6.647 -10.005 2.447) 12.259 14.028 ( -4.985 -1.773 -0.516) 5.316 14.085 ( 6.112 0.604 -0.064) 6.142 17.487 ( 0.372 2.247 -0.161) 2.284 18.263 ( 0.188 -7.016 -1.239) 7.127 18.731 ( -1.460 11.457 0.321) 11.555 19.049 ( -2.960 -5.866 0.401) 6.582 26.934 ( -5.652 8.825 -0.120) 10.480 28.133 ( 1.292 -2.643 0.166) 2.946 28.353 ( -4.056 -4.440 0.509) 6.035 28.720 ( 1.140 2.972 -0.090) 3.184 29.103 ( 0.702 -1.879 -0.384) 2.042 31.988 ( -0.958 -1.718 -2.284) 3.014 35.126 ( -1.733 -1.960 0.995) 2.800 35.262 ( 7.439 2.239 -0.114) 7.770 ======================= Grid point 177 (45/126) ======================= q-point: (-0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 5.009 -0.485 3.139) 5.931 1.454 ( -4.897 3.148 1.102) 5.925 1.763 ( -10.207 -4.359 -3.032) 11.506 2.256 ( -5.533 -4.942 5.975) 9.526 2.924 ( -18.212 6.680 0.224) 19.400 3.884 ( -10.772 -4.400 -2.723) 11.950 4.171 ( -15.369 -4.819 -0.907) 16.132 4.479 ( -5.428 -5.168 1.689) 7.683 4.792 ( -5.499 8.551 0.142) 10.167 5.512 ( -4.774 -6.020 -2.792) 8.175 5.696 ( 2.752 -0.863 0.906) 3.023 6.656 ( -2.155 -2.339 0.749) 3.267 6.934 ( 6.337 6.131 -1.487) 8.942 7.609 ( -1.348 -12.073 -1.199) 12.207 8.178 ( 8.934 5.581 0.613) 10.552 8.252 ( 2.012 0.673 0.261) 2.138 11.232 ( -1.730 9.557 0.276) 9.717 11.336 ( 6.526 2.027 -0.515) 6.853 11.820 ( -1.212 1.569 -0.001) 1.983 11.891 ( -2.055 1.076 -2.920) 3.729 12.232 ( 3.900 -0.740 0.841) 4.058 12.969 ( 1.846 -11.079 2.843) 11.586 13.948 ( -2.815 0.279 -0.704) 2.915 14.198 ( 6.155 -0.207 -0.060) 6.159 17.538 ( 1.420 4.486 -0.493) 4.731 18.196 ( 0.073 -6.464 -1.115) 6.560 18.775 ( -5.088 6.493 -1.713) 8.425 18.918 ( -4.812 -5.157 2.205) 7.390 26.918 ( -5.938 8.136 -0.172) 10.074 28.056 ( -2.885 -13.802 0.562) 14.111 28.227 ( -7.271 3.426 0.514) 8.054 28.792 ( 3.230 3.018 -0.299) 4.430 29.101 ( 0.727 -0.843 -0.507) 1.223 31.905 ( -5.811 -3.641 -5.470) 8.772 35.119 ( 1.740 0.227 4.979) 5.280 35.461 ( 12.239 3.666 -1.717) 12.891 ======================= Grid point 178 (46/126) ======================= q-point: (-0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 1.777 0.151 2.199) 2.831 1.396 ( -4.114 1.575 1.677) 4.714 1.487 ( -15.399 -3.615 -7.535) 17.521 2.073 ( -8.700 -6.014 7.404) 12.910 2.608 ( -23.797 2.958 0.391) 23.983 3.468 ( -25.724 -14.586 -1.657) 29.617 3.946 ( -9.046 1.508 0.805) 9.206 4.312 ( -7.908 -5.095 1.655) 9.551 4.772 ( -7.547 7.281 0.433) 10.495 5.157 ( -14.914 -12.890 -2.008) 19.814 5.946 ( 13.226 7.456 -0.468) 15.190 6.601 ( -0.583 -3.255 1.041) 3.467 7.099 ( 3.838 7.218 -0.216) 8.177 7.397 ( -7.254 -9.867 -0.487) 12.256 8.246 ( -2.637 -0.310 0.472) 2.697 8.471 ( 15.787 4.912 -3.761) 16.956 11.201 ( -4.866 0.442 0.158) 4.888 11.572 ( 11.623 5.886 -1.324) 13.096 11.802 ( -2.199 4.691 -1.259) 5.332 11.953 ( 5.314 3.836 -0.985) 6.628 12.273 ( 2.659 -2.429 0.500) 3.636 12.867 ( -0.106 -11.215 2.685) 11.532 13.940 ( 0.651 1.595 -0.455) 1.781 14.285 ( 4.453 -0.659 -0.078) 4.502 17.615 ( 1.325 6.042 -0.841) 6.243 18.146 ( -0.021 -3.432 -1.437) 3.721 18.626 ( -8.332 -10.706 -4.401) 14.262 18.838 ( -6.857 6.675 4.669) 10.648 26.894 ( -5.689 7.317 -0.195) 9.270 27.775 ( -10.869 -15.899 1.377) 19.308 28.178 ( -4.238 4.602 0.112) 6.257 28.881 ( 3.583 2.591 -0.372) 4.437 29.114 ( 1.452 0.083 -0.714) 1.620 31.704 ( -12.730 -5.529 -13.499) 19.361 35.188 ( 5.394 1.503 11.490) 12.782 35.745 ( 15.883 4.169 -2.644) 16.632 ======================= Grid point 179 (47/126) ======================= q-point: (-0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -19.393 0.380 -0.153) 19.397 1.234 ( -10.164 1.520 2.554) 10.590 1.479 ( 7.764 0.483 -2.878) 8.294 1.844 ( -11.216 -6.366 7.131) 14.737 2.191 ( -24.507 -1.602 -0.319) 24.562 2.803 ( -35.089 -10.173 -0.170) 36.535 3.830 ( -6.466 0.570 1.061) 6.578 4.109 ( -10.161 -4.222 0.651) 11.023 4.627 ( -12.294 -2.287 -1.010) 12.545 4.852 ( -11.744 -1.379 0.083) 11.825 6.239 ( 13.667 4.099 -1.317) 14.329 6.582 ( 1.701 -1.977 0.965) 2.781 7.072 ( -10.470 0.093 1.374) 10.560 7.339 ( 3.663 3.918 0.639) 5.401 8.168 ( -4.037 -2.706 0.705) 4.911 8.749 ( 11.901 0.978 -10.142) 15.667 11.100 ( -5.952 -1.068 -0.307) 6.055 11.742 ( 5.335 -1.459 -3.272) 6.427 11.905 ( 5.447 9.414 0.206) 10.878 12.119 ( 7.383 4.421 0.095) 8.606 12.276 ( 0.727 -2.397 -1.097) 2.734 12.765 ( 1.007 -9.806 1.949) 10.049 14.003 ( 5.170 1.466 1.082) 5.482 14.339 ( 2.754 -0.631 -0.182) 2.831 17.702 ( 1.298 7.178 -0.902) 7.350 18.129 ( -1.151 1.828 -2.004) 2.947 18.332 ( -9.921 -15.353 -3.237) 18.564 18.766 ( -9.315 6.177 2.478) 11.449 26.868 ( -4.830 5.462 -0.269) 7.296 27.413 ( -14.949 -10.110 2.028) 18.160 28.155 ( -2.832 2.635 -0.106) 3.870 28.948 ( 1.083 1.621 -2.657) 3.295 29.167 ( 4.815 0.340 0.945) 4.918 31.335 ( -23.969 -7.068 -28.626) 37.999 35.344 ( 11.345 1.963 21.226) 24.147 36.068 ( 16.870 3.034 -2.546) 17.329 ======================= Grid point 184 (48/126) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -2.567 -4.519 -0.387) 5.212 1.412 ( 4.743 6.533 2.162) 8.357 1.480 ( 8.482 11.324 -8.221) 16.364 1.962 ( 0.372 9.852 9.012) 13.358 2.660 ( 13.325 26.693 -0.559) 29.840 3.314 ( 16.803 23.263 -0.793) 28.707 4.006 ( 8.060 6.550 1.296) 10.466 4.221 ( 1.075 7.934 1.592) 8.163 4.806 ( 0.566 14.141 -0.979) 14.186 5.055 ( 9.674 6.161 -0.662) 11.489 6.022 ( -7.255 -10.963 -0.761) 13.168 6.563 ( 1.435 0.630 1.985) 2.529 7.242 ( -5.346 2.714 -1.184) 6.111 7.279 ( 8.825 -5.492 0.751) 10.421 8.199 ( -1.550 4.487 0.760) 4.808 8.518 ( -7.790 -12.412 -5.219) 15.556 11.180 ( 0.418 4.451 0.100) 4.472 11.666 ( 1.443 -3.258 -2.856) 4.567 11.911 ( 1.186 -4.271 0.563) 4.468 12.035 ( -2.423 -4.218 -1.403) 5.063 12.273 ( 5.996 -5.785 0.241) 8.336 12.583 ( -15.011 3.569 2.489) 15.629 13.957 ( -0.761 -1.140 -0.103) 1.374 14.283 ( -1.177 -3.434 -0.270) 3.640 17.735 ( 0.980 -5.268 -0.697) 5.403 18.162 ( 5.458 -1.111 -0.339) 5.580 18.384 ( -4.443 14.535 -4.665) 15.899 18.963 ( 7.640 3.275 3.914) 9.188 27.019 ( 4.543 6.673 -0.465) 8.086 27.550 ( 3.202 8.342 1.406) 9.045 28.258 ( 4.690 3.124 0.659) 5.673 28.924 ( -0.586 -3.968 0.339) 4.026 29.103 ( -1.867 -0.713 -1.205) 2.334 31.625 ( 5.962 13.803 -15.673) 21.718 35.202 ( -3.218 -5.261 12.779) 14.190 35.785 ( -8.775 -14.622 -2.899) 17.297 ======================= Grid point 185 (49/126) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -3.692 -4.949 0.528) 6.197 1.519 ( 1.604 5.623 1.410) 6.015 1.759 ( 10.023 7.208 -8.217) 14.831 2.060 ( 1.334 8.023 9.372) 12.409 3.105 ( 5.611 27.912 -1.000) 28.488 3.829 ( 20.282 13.743 -1.948) 24.577 4.177 ( 3.475 6.681 2.031) 7.800 4.323 ( 5.183 3.354 0.950) 6.246 4.908 ( -5.175 14.560 -0.613) 15.464 5.326 ( 16.892 2.830 -0.488) 17.134 5.784 ( -9.200 -8.071 -0.790) 12.264 6.632 ( 3.197 0.879 1.627) 3.693 7.024 ( -12.067 -4.988 -1.752) 13.174 7.454 ( 12.771 -3.728 -0.095) 13.304 8.169 ( -6.895 -3.498 -0.119) 7.732 8.282 ( -4.763 -5.748 -0.837) 7.512 11.201 ( -1.865 3.982 0.101) 4.398 11.715 ( 2.067 1.590 -0.906) 2.760 11.855 ( -4.043 -1.251 -0.794) 4.306 11.963 ( -3.954 3.642 -1.616) 5.613 12.319 ( -1.481 -7.175 2.783) 7.837 12.414 ( 4.730 -4.997 0.232) 6.884 13.943 ( -0.689 0.692 -0.137) 0.986 14.232 ( -0.602 -4.253 -0.312) 4.307 17.633 ( -4.832 -5.338 -0.480) 7.216 18.276 ( 6.208 -1.217 -0.352) 6.336 18.474 ( 0.087 13.032 -3.445) 13.480 19.082 ( 3.834 0.615 3.446) 5.191 27.131 ( -3.137 13.144 -0.279) 13.516 27.717 ( 11.292 0.303 0.283) 11.299 28.347 ( 2.219 2.084 1.064) 3.225 28.856 ( -2.886 -2.790 0.678) 4.071 29.084 ( -0.120 -0.732 -1.186) 1.398 31.818 ( 4.907 6.599 -7.110) 10.871 35.127 ( -1.215 -2.358 6.631) 7.142 35.500 ( -8.734 -11.374 -2.619) 14.578 ======================= Grid point 186 (50/126) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -0.868 -3.879 3.679) 5.416 1.582 ( -0.986 5.981 0.398) 6.075 1.919 ( 4.325 -0.189 -1.940) 4.743 2.186 ( 4.294 6.877 4.269) 9.163 3.385 ( -3.943 25.477 -0.506) 25.786 4.138 ( 1.965 5.456 -0.990) 5.883 4.310 ( 5.535 5.453 -1.879) 7.995 4.514 ( 14.600 2.173 1.094) 14.801 4.926 ( -8.618 13.561 0.037) 16.067 5.545 ( -8.151 -6.178 -1.543) 10.343 5.690 ( 19.188 2.909 -0.347) 19.411 6.515 ( -8.273 -14.341 1.065) 16.590 6.907 ( -2.586 6.818 -1.692) 7.486 7.654 ( 15.499 -5.596 0.466) 16.485 7.912 ( -11.226 -7.873 -0.975) 13.746 8.227 ( -1.087 -2.431 1.374) 2.996 11.222 ( -2.397 8.115 0.240) 8.465 11.626 ( -13.185 4.191 -0.112) 13.836 11.839 ( -0.198 2.657 -1.192) 2.919 11.997 ( 3.025 3.072 -0.377) 4.327 12.166 ( -6.330 -3.521 0.517) 7.261 12.549 ( 17.054 -13.703 1.170) 21.909 13.953 ( 0.882 1.354 -0.033) 1.616 14.169 ( -1.950 -4.252 -0.309) 4.688 17.512 ( -2.619 -4.705 -0.342) 5.396 18.310 ( -1.232 0.780 -1.052) 1.798 18.645 ( 5.114 10.251 -1.154) 11.514 19.106 ( 0.017 -2.409 2.075) 3.179 27.179 ( -7.463 15.462 -0.167) 17.169 27.922 ( 12.074 -1.259 -0.190) 12.141 28.369 ( 0.265 -1.984 0.795) 2.154 28.787 ( -3.361 0.295 0.374) 3.395 29.071 ( 0.639 -2.903 -0.645) 3.042 31.929 ( 3.302 1.895 -2.686) 4.659 35.112 ( 1.305 -0.822 2.803) 3.199 35.276 ( -6.274 -7.212 -1.756) 9.719 ======================= Grid point 187 (51/126) ======================= q-point: ( 0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 2.579 -2.741 5.549) 6.704 1.603 ( -3.311 5.740 -0.103) 6.627 1.931 ( -0.443 -2.718 1.221) 3.012 2.297 ( 2.344 1.929 2.289) 3.802 3.474 ( -12.718 21.526 0.042) 25.002 4.145 ( -4.281 3.354 -1.455) 5.630 4.406 ( 2.045 0.243 -2.750) 3.435 4.685 ( -0.280 -5.342 0.711) 5.396 4.927 ( -4.081 13.808 0.390) 14.404 5.403 ( -2.640 2.293 -3.574) 5.000 5.906 ( -1.380 -7.036 1.488) 7.323 6.365 ( 14.597 -10.912 0.203) 18.226 6.925 ( -5.080 7.979 -1.133) 9.527 7.619 ( -6.123 -9.171 -0.845) 11.060 7.933 ( 15.137 -2.592 0.421) 15.363 8.167 ( -2.321 -2.981 1.587) 4.098 11.285 ( -3.281 14.581 0.453) 14.952 11.450 ( -10.285 2.833 -0.063) 10.668 11.852 ( -1.368 2.673 -0.759) 3.097 12.041 ( -4.720 -2.112 -0.708) 5.219 12.087 ( 4.141 0.827 -0.043) 4.223 12.681 ( 14.590 -15.901 1.639) 21.643 14.004 ( 3.404 1.177 -0.050) 3.602 14.084 ( -3.329 -2.958 -0.326) 4.465 17.466 ( 1.775 -2.731 -0.239) 3.265 18.271 ( -4.057 1.254 -1.005) 4.363 18.820 ( 3.519 9.211 0.462) 9.871 19.039 ( -3.057 -5.640 0.375) 6.426 27.188 ( -9.137 15.271 -0.220) 17.797 28.058 ( 4.539 -3.397 0.039) 5.670 28.332 ( 0.483 -4.777 0.316) 4.812 28.757 ( -1.726 2.903 0.107) 3.379 29.055 ( 1.590 -3.568 -0.297) 3.917 31.971 ( 0.998 -0.879 -1.330) 1.881 35.133 ( -1.095 -2.710 -0.005) 2.922 35.173 ( 3.070 -0.448 0.216) 3.110 ======================= Grid point 189 (52/126) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 4.971 -1.869 4.537) 6.985 1.581 ( -5.122 4.410 0.106) 6.760 1.859 ( -4.917 -2.594 -1.284) 5.705 2.284 ( -3.051 -3.202 4.399) 6.238 3.383 ( -19.927 16.724 0.034) 26.015 4.057 ( -9.917 1.259 -2.985) 10.432 4.337 ( -9.268 -4.546 -1.469) 10.427 4.508 ( -5.246 -7.429 1.208) 9.175 4.995 ( -5.330 13.591 0.698) 14.615 5.507 ( 4.142 4.953 -2.833) 7.051 5.644 ( -6.345 -15.326 1.131) 16.626 6.599 ( 11.597 -3.260 0.105) 12.047 6.920 ( -1.565 7.602 -0.577) 7.783 7.484 ( 0.374 -9.900 -1.956) 10.098 8.107 ( 6.652 -4.061 0.157) 7.795 8.164 ( 5.249 2.769 1.804) 6.203 11.334 ( -4.889 0.245 0.024) 4.895 11.405 ( -1.984 18.017 0.495) 18.133 11.850 ( -1.032 1.619 -0.324) 1.947 11.957 ( -3.744 0.539 -2.405) 4.483 12.156 ( 3.913 -1.058 0.690) 4.112 12.719 ( 9.325 -17.721 2.107) 20.135 13.996 ( -2.782 -1.440 -0.436) 3.163 14.102 ( 4.996 1.332 -0.110) 5.172 17.514 ( 4.897 0.148 -0.361) 4.913 18.208 ( -4.632 1.754 -0.799) 5.017 18.885 ( -6.476 -5.900 -1.838) 8.951 18.946 ( 0.931 5.353 2.404) 5.941 27.169 ( -9.867 13.728 -0.325) 16.909 27.980 ( -3.338 -12.229 0.166) 12.678 28.318 ( -0.546 0.728 0.505) 1.041 28.783 ( 1.080 2.961 -0.158) 3.156 29.062 ( 2.305 -1.851 -0.209) 2.963 31.945 ( -2.417 -2.266 -2.533) 4.171 35.098 ( 0.293 -0.852 2.215) 2.391 35.295 ( 9.409 1.012 -1.102) 9.527 ======================= Grid point 190 (53/126) ======================= q-point: (-0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 6.094 -1.340 1.653) 6.455 1.516 ( -6.180 2.088 1.241) 6.640 1.706 ( -11.292 -0.385 -6.375) 12.973 2.148 ( -6.912 -5.492 7.528) 11.602 3.115 ( -26.281 8.843 -0.051) 27.729 3.764 ( -21.159 -5.158 -2.846) 21.963 4.138 ( -9.571 1.549 0.600) 9.714 4.372 ( -5.133 -5.143 2.080) 7.558 5.002 ( -9.051 9.911 0.527) 13.433 5.251 ( -11.066 -12.950 -1.496) 17.100 5.785 ( 12.216 4.002 -0.717) 12.875 6.616 ( -3.400 -0.977 1.326) 3.778 7.073 ( 8.766 5.941 -1.028) 10.639 7.376 ( -2.752 -8.184 -1.785) 8.817 8.235 ( 5.038 -2.003 0.156) 5.424 8.269 ( 9.370 2.588 -0.235) 9.724 11.261 ( -2.955 -2.208 0.312) 3.702 11.562 ( 0.733 13.599 -1.009) 13.656 11.858 ( 0.327 1.747 0.502) 1.847 11.946 ( -0.019 5.023 -2.484) 5.604 12.204 ( 3.267 -1.126 0.532) 3.496 12.665 ( 5.531 -17.733 2.410) 18.731 13.955 ( -1.067 -0.010 -0.478) 1.169 14.201 ( 4.941 0.949 -0.172) 5.035 17.621 ( 5.295 2.778 -0.656) 6.015 18.161 ( -3.398 3.215 -0.645) 4.722 18.665 ( -8.711 -10.861 -3.292) 14.306 18.991 ( -3.056 6.254 3.530) 7.804 27.119 ( -9.672 9.682 -0.403) 13.691 27.760 ( -6.218 -13.060 0.462) 14.472 28.303 ( -3.682 3.420 0.749) 5.081 28.845 ( 3.148 1.964 0.024) 3.710 29.087 ( 1.596 -0.497 -0.558) 1.763 31.837 ( -7.499 -2.659 -6.863) 10.508 35.124 ( 2.957 0.221 6.429) 7.080 35.509 ( 14.079 1.037 -2.336) 14.309 ======================= Grid point 194 (54/126) ======================= q-point: (-0.08 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -8.922 11.856 4.599) 15.535 1.041 ( -13.192 12.681 9.593) 20.661 1.514 ( -5.193 16.342 8.280) 19.041 1.715 ( 6.745 -4.811 2.276) 8.591 1.762 ( -5.210 13.415 -5.678) 15.471 2.168 ( -19.401 27.339 -1.582) 33.561 3.756 ( 0.905 8.360 0.176) 8.411 3.924 ( -9.689 7.845 0.340) 12.471 4.428 ( -2.771 7.980 -0.896) 8.495 4.591 ( -7.827 10.328 0.817) 12.984 6.498 ( 6.582 -10.321 -2.023) 12.407 6.630 ( -4.225 -4.360 0.027) 6.071 6.901 ( -5.577 10.478 0.712) 11.891 7.351 ( 3.104 -4.443 3.431) 6.414 8.085 ( -1.252 1.857 0.452) 2.284 8.886 ( 2.248 1.551 -19.393) 19.585 10.999 ( -2.790 4.756 -0.524) 5.539 11.778 ( 1.484 -4.802 -1.954) 5.393 12.106 ( 6.641 -3.687 -0.270) 7.601 12.232 ( -0.471 -3.291 -0.515) 3.364 12.257 ( -3.789 6.792 -5.750) 9.672 12.691 ( 6.041 -4.852 2.618) 8.179 14.140 ( 6.439 -9.753 4.684) 12.591 14.373 ( 1.468 -1.018 -0.137) 1.791 17.797 ( 6.141 0.450 -0.651) 6.191 18.101 ( -10.078 -1.954 0.369) 10.272 18.365 ( -7.336 14.622 5.535) 17.270 18.396 ( -4.844 4.674 -11.688) 13.488 26.822 ( -0.504 3.432 -0.506) 3.506 27.118 ( -12.043 10.577 2.571) 16.233 28.143 ( -0.760 2.173 0.156) 2.307 28.935 ( -2.489 3.059 -9.703) 10.474 29.263 ( 4.164 -6.290 4.368) 8.717 30.700 ( -18.387 38.623 -48.208) 64.450 35.634 ( 12.465 -20.315 32.293) 40.136 36.359 ( 7.080 -12.189 -1.450) 14.170 ======================= Grid point 198 (55/126) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -3.278 -3.936 3.899) 6.437 1.630 ( 2.692 5.216 0.458) 5.888 1.848 ( 3.793 2.363 -3.689) 5.795 2.218 ( 0.612 7.096 5.170) 8.801 3.602 ( 11.421 20.518 -0.756) 23.495 4.083 ( 10.264 10.812 -3.097) 15.226 4.288 ( 4.586 6.268 0.758) 7.803 4.395 ( -0.540 3.331 0.662) 3.439 5.235 ( -3.389 16.414 0.598) 16.771 5.336 ( 12.326 0.114 0.458) 12.335 5.614 ( -3.918 -8.663 -2.144) 9.747 6.544 ( -9.640 -12.119 0.647) 15.499 7.020 ( 1.173 6.045 -0.623) 6.189 7.389 ( 5.373 -2.297 -1.485) 6.030 8.019 ( -10.592 -8.629 -0.446) 13.670 8.210 ( -0.333 -3.811 1.518) 4.116 11.310 ( 0.924 7.051 0.517) 7.130 11.728 ( 9.306 -1.193 -0.017) 9.382 11.858 ( -0.456 1.243 -1.432) 1.950 12.009 ( 2.914 0.393 -0.698) 3.022 12.144 ( 1.129 -6.623 0.852) 6.772 12.382 ( -14.639 -0.810 1.229) 14.713 13.968 ( -0.476 1.786 -0.159) 1.855 14.139 ( -0.275 -4.785 -0.268) 4.800 17.508 ( -3.895 -6.424 -0.608) 7.537 18.288 ( 6.089 2.048 -0.115) 6.425 18.719 ( -2.065 11.242 -2.071) 11.616 19.059 ( 2.890 -2.886 2.292) 4.683 27.374 ( 6.948 9.975 -0.351) 12.162 27.772 ( 0.539 5.692 -0.061) 5.718 28.344 ( 0.278 -2.336 0.664) 2.444 28.819 ( -0.285 -0.858 0.159) 0.918 29.044 ( -1.411 -3.038 -0.397) 3.373 31.914 ( 1.289 3.221 -2.736) 4.418 35.093 ( -0.154 -0.992 2.900) 3.069 35.300 ( -5.503 -8.520 -1.703) 10.284 ======================= Grid point 199 (56/126) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -0.166 -2.785 6.199) 6.798 1.704 ( -0.899 6.107 -0.292) 6.180 1.887 ( 1.634 -2.789 -0.338) 3.250 2.297 ( 1.306 3.953 2.615) 4.916 3.875 ( -4.808 22.341 -0.498) 22.858 4.216 ( -0.301 2.266 -2.473) 3.367 4.383 ( 0.739 2.464 -1.968) 3.239 4.524 ( 10.874 -2.130 1.064) 11.132 5.233 ( -11.784 15.921 0.208) 19.809 5.449 ( -1.057 -1.781 -2.323) 3.112 5.709 ( 19.452 -0.719 0.632) 19.475 6.157 ( -10.595 -20.589 0.910) 23.173 7.126 ( -4.309 14.588 -1.000) 15.244 7.530 ( 13.238 -5.957 -0.015) 14.517 7.739 ( -7.509 -10.761 -0.540) 13.133 8.168 ( -0.792 -2.503 1.284) 2.923 11.431 ( 1.558 11.827 1.318) 12.002 11.721 ( -11.751 5.807 0.187) 13.109 11.895 ( 0.225 2.443 -2.074) 3.213 12.042 ( 1.156 1.002 -0.169) 1.539 12.086 ( -2.547 -4.541 0.865) 5.278 12.264 ( 10.905 -14.091 0.480) 17.824 13.986 ( 0.695 1.974 -0.043) 2.093 14.086 ( -1.039 -3.809 -0.263) 3.957 17.408 ( -0.471 -4.743 -0.563) 4.799 18.359 ( -1.074 3.293 0.016) 3.464 18.827 ( 3.182 7.752 -0.612) 8.402 19.034 ( -1.386 -4.560 0.896) 4.849 27.505 ( -6.766 16.405 -0.204) 17.746 27.897 ( 9.533 -2.078 -0.161) 9.758 28.281 ( -1.437 -6.047 0.220) 6.219 28.818 ( -1.247 2.830 0.170) 3.097 28.989 ( 0.380 -4.879 -0.252) 4.900 31.950 ( 0.897 0.361 -0.870) 1.300 35.100 ( 1.588 -0.318 0.792) 1.803 35.162 ( -2.896 -4.173 -0.837) 5.148 ======================= Grid point 200 (57/126) ======================= q-point: (-0.58 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 3.088 -1.589 6.336) 7.225 1.707 ( -4.657 3.848 -0.350) 6.051 1.875 ( 0.301 -2.193 -0.328) 2.238 2.312 ( -2.142 -0.266 2.794) 3.531 3.875 ( -16.863 15.434 -0.416) 22.864 4.202 ( -3.774 2.270 -2.872) 5.258 4.405 ( -1.198 0.801 -1.601) 2.154 4.504 ( -4.402 -10.718 0.600) 11.602 5.248 ( -5.260 17.169 0.477) 17.963 5.473 ( 2.734 3.702 -2.651) 5.311 5.640 ( -11.989 -17.512 1.294) 21.262 6.209 ( 24.939 -5.027 0.477) 25.445 7.143 ( -10.292 12.521 -0.256) 16.210 7.428 ( -4.372 -9.065 -1.204) 10.136 7.830 ( 16.524 -6.285 -0.111) 17.679 8.151 ( 0.683 0.742 1.378) 1.708 11.471 ( -9.032 0.527 1.446) 9.162 11.646 ( -4.691 18.211 0.411) 18.810 11.888 ( -1.904 0.476 -1.821) 2.678 12.014 ( -2.126 0.053 -0.851) 2.290 12.080 ( 2.998 -1.759 0.269) 3.487 12.343 ( 13.313 -16.146 1.199) 20.961 14.009 ( -0.923 -1.320 -0.111) 1.614 14.059 ( 2.072 1.053 -0.227) 2.335 17.409 ( 4.520 -2.067 -0.554) 5.001 18.337 ( -4.930 3.859 -0.017) 6.260 18.901 ( -3.536 -5.010 -0.295) 6.139 18.978 ( 1.963 4.064 0.596) 4.553 27.498 ( -11.333 13.917 -0.296) 17.951 27.917 ( -1.396 -10.022 0.018) 10.119 28.270 ( 4.957 -0.950 0.133) 5.049 28.818 ( -1.910 2.537 0.012) 3.176 28.986 ( 3.740 -2.590 -0.116) 4.551 31.952 ( -0.469 -0.759 -0.853) 1.234 35.093 ( -0.751 -0.907 0.543) 1.296 35.170 ( 5.380 -0.254 -0.579) 5.417 ======================= Grid point 205 (58/126) ======================= q-point: (-0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -13.386 12.501 -1.456) 18.373 1.309 ( -6.672 5.369 3.275) 9.169 1.497 ( 3.734 -4.227 -3.042) 6.408 1.769 ( -3.286 10.826 8.035) 13.877 2.112 ( -11.334 23.801 -2.732) 26.503 2.856 ( -28.768 23.053 0.876) 36.875 3.857 ( -2.332 8.456 1.167) 8.849 4.151 ( -8.975 4.677 1.633) 10.251 4.584 ( -4.395 10.528 -1.419) 11.496 4.847 ( -10.516 8.572 -0.333) 13.571 6.240 ( 11.063 -9.612 -1.141) 14.699 6.650 ( -2.999 -5.140 1.568) 6.154 7.124 ( -7.422 6.669 3.424) 10.549 7.268 ( 1.594 0.316 -1.080) 1.951 8.149 ( -3.871 1.400 -0.215) 4.122 8.732 ( 10.735 -7.146 -10.293) 16.500 11.108 ( -3.680 4.870 -0.180) 6.106 11.711 ( 0.412 -5.497 -3.757) 6.671 11.924 ( 11.404 -0.891 0.492) 11.449 12.125 ( 7.324 -3.435 0.103) 8.090 12.341 ( -0.806 -1.609 -1.148) 2.134 12.621 ( -4.979 -2.844 1.231) 5.865 14.002 ( 2.809 -3.474 0.930) 4.563 14.332 ( 1.664 -1.944 -0.292) 2.575 17.704 ( 5.350 0.190 -0.708) 5.400 18.133 ( 1.630 1.071 -1.088) 2.233 18.545 ( -4.566 6.469 -6.141) 10.020 18.672 ( -14.218 5.261 6.085) 16.336 26.856 ( 2.255 6.869 -0.449) 7.244 27.477 ( -19.287 4.848 3.291) 20.158 28.176 ( 1.083 4.763 0.451) 4.906 28.979 ( -1.426 -0.297 -3.111) 3.435 29.109 ( 5.870 -5.139 0.510) 7.818 31.283 ( -15.612 20.158 -29.615) 39.078 35.324 ( 7.590 -8.621 20.956) 23.897 36.069 ( 11.372 -12.901 -2.445) 17.371 ======================= Grid point 206 (59/126) ======================= q-point: (-0.08 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -6.041 19.305 -4.866) 20.805 1.238 ( -7.665 7.466 4.475) 11.598 1.487 ( 2.388 -7.173 -1.056) 7.633 1.871 ( 0.130 11.833 8.370) 14.495 2.164 ( -11.050 23.530 -2.029) 26.074 2.815 ( -8.677 35.317 -0.299) 36.368 3.927 ( -3.184 6.586 2.456) 7.717 4.059 ( -3.537 7.562 0.364) 8.356 4.581 ( -4.684 6.813 -1.437) 8.392 4.865 ( -3.365 16.816 -0.322) 17.152 6.233 ( 2.818 -15.608 -1.166) 15.903 6.578 ( 0.465 -0.426 1.639) 1.756 7.159 ( -3.480 14.172 0.967) 14.625 7.263 ( 0.433 -4.803 0.291) 4.831 8.115 ( -0.155 1.405 -0.450) 1.484 8.781 ( 4.591 -10.822 -9.086) 14.858 11.100 ( -2.423 4.640 -0.138) 5.237 11.687 ( 2.203 -3.349 -3.037) 5.030 11.988 ( -0.807 -7.116 -0.554) 7.183 12.111 ( -1.967 -8.897 -0.485) 9.125 12.378 ( -0.947 3.743 -1.360) 4.093 12.619 ( 12.117 -0.879 2.960) 12.505 13.992 ( 1.309 -5.276 0.957) 5.519 14.349 ( 1.888 -1.441 -0.137) 2.379 17.774 ( 0.258 -4.207 -0.649) 4.265 18.124 ( -5.378 5.743 -0.982) 7.929 18.462 ( 0.967 1.916 -5.846) 6.228 18.637 ( -6.682 12.624 4.596) 15.004 26.878 ( -6.822 2.103 -0.246) 7.143 27.384 ( -0.004 15.453 1.881) 15.567 28.200 ( -3.611 3.337 0.694) 4.966 28.948 ( -1.108 -1.416 -3.056) 3.545 29.140 ( 3.527 -5.000 0.491) 6.138 31.326 ( -5.819 24.426 -28.695) 38.130 35.332 ( 4.423 -10.803 21.039) 24.061 36.072 ( 5.642 -16.060 -2.393) 17.189 ======================= Grid point 211 (60/126) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.000 -0.000 7.264) 7.264 1.813 ( -2.058 -4.117 -0.279) 4.611 1.813 ( 2.058 4.117 -0.279) 4.611 2.335 ( 0.000 -0.000 2.318) 2.318 4.191 ( -3.365 -6.729 -2.128) 7.819 4.191 ( 3.365 6.729 -2.128) 7.819 4.439 ( -1.764 -3.527 -0.119) 3.945 4.439 ( 1.764 3.527 -0.119) 3.945 5.356 ( 0.000 -0.000 -4.020) 4.020 5.645 ( -4.463 -8.927 1.535) 10.098 5.645 ( 4.463 8.927 1.535) 10.098 5.816 ( -0.000 0.000 0.551) 0.551 7.435 ( -0.000 -0.000 -0.491) 0.491 7.469 ( -6.539 -13.078 -0.354) 14.626 7.469 ( 6.539 13.078 -0.354) 14.626 8.146 ( -0.000 -0.000 0.989) 0.989 11.576 ( -0.000 -0.000 2.890) 2.890 11.911 ( -5.671 -11.342 0.000) 12.681 11.911 ( 5.671 11.342 0.000) 12.681 11.916 ( -0.000 -0.000 -2.937) 2.937 12.077 ( -1.565 -3.130 0.379) 3.520 12.077 ( 1.565 3.130 0.379) 3.520 14.027 ( -0.891 -1.782 -0.141) 1.998 14.027 ( 0.891 1.782 -0.141) 1.998 17.356 ( -0.000 -0.000 -0.633) 0.633 18.402 ( -0.000 -0.000 0.490) 0.490 18.944 ( -1.723 -3.447 -0.011) 3.853 18.944 ( 1.723 3.447 -0.011) 3.853 27.784 ( -4.752 -9.504 -0.101) 10.626 27.784 ( 4.752 9.504 -0.101) 10.626 28.200 ( -0.000 -0.000 -0.130) 0.130 28.893 ( -2.021 -4.042 -0.014) 4.520 28.893 ( 2.021 4.042 -0.014) 4.520 31.952 ( -0.000 -0.000 -0.320) 0.320 35.108 ( -0.674 -1.347 -0.186) 1.518 35.108 ( 0.674 1.347 -0.186) 1.518 ======================= Grid point 218 (61/126) ======================= q-point: (-0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 2.568 -0.832 1.956) 3.334 1.337 ( -4.289 3.995 -0.947) 5.937 1.628 ( -12.257 8.818 -7.211) 16.733 1.920 ( -3.865 7.369 8.822) 12.127 2.544 ( -9.616 24.428 -1.065) 26.274 3.540 ( -27.486 14.673 -0.354) 31.159 3.981 ( -1.961 8.526 1.344) 8.852 4.329 ( -8.372 1.771 2.177) 8.830 4.744 ( 0.348 11.914 -0.163) 11.920 5.137 ( -15.824 5.758 -2.317) 16.998 5.951 ( 11.600 -8.444 -0.313) 14.351 6.643 ( -1.739 -3.292 1.692) 4.089 7.087 ( 7.401 -1.407 -0.829) 7.579 7.476 ( -14.636 4.793 2.005) 15.531 8.215 ( -2.185 -0.965 -1.202) 2.674 8.426 ( 14.400 -7.755 -4.178) 16.881 11.198 ( -1.318 3.915 0.122) 4.132 11.577 ( 10.614 -6.610 -1.526) 12.596 11.793 ( 2.136 3.531 -1.107) 4.273 11.980 ( 4.518 -2.667 -0.889) 5.322 12.296 ( 2.138 -3.215 0.971) 3.981 12.751 ( -10.852 -2.300 0.961) 11.135 13.951 ( 1.182 -0.417 -0.248) 1.278 14.275 ( 1.905 -3.529 -0.242) 4.018 17.609 ( 5.405 -0.556 -0.926) 5.512 18.132 ( -1.525 0.026 -1.352) 2.038 18.662 ( -0.512 8.147 -3.027) 8.707 18.918 ( -10.368 1.371 5.005) 11.594 26.886 ( 3.136 8.549 -0.343) 9.112 27.835 ( -19.308 -1.150 2.505) 19.504 28.202 ( 2.416 7.100 0.814) 7.544 28.925 ( 5.037 -3.946 1.582) 6.592 29.041 ( -0.940 -0.043 -3.453) 3.579 31.655 ( -10.815 10.202 -14.506) 20.772 35.175 ( 3.252 -3.671 11.354) 12.368 35.739 ( 12.245 -11.503 -2.785) 17.030 ======================= Grid point 219 (62/126) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -3.797 11.356 -0.994) 12.015 1.330 ( 2.109 -2.019 -0.681) 2.998 1.504 ( -10.506 5.607 -4.842) 12.855 1.978 ( -0.059 10.300 8.666) 13.461 2.652 ( -13.197 27.861 -0.632) 30.835 3.319 ( -15.698 24.062 -0.681) 28.738 4.056 ( -1.753 10.247 2.028) 10.591 4.193 ( -7.106 0.830 1.292) 7.270 4.783 ( -9.850 8.120 -1.295) 12.831 5.063 ( -1.382 13.414 -0.740) 13.506 6.002 ( 6.373 -14.062 -1.149) 15.482 6.588 ( -1.490 0.338 2.516) 2.944 7.189 ( 3.618 -3.097 -1.475) 4.986 7.341 ( -4.875 7.320 1.416) 8.908 8.159 ( -3.042 0.290 -0.938) 3.197 8.537 ( 9.373 -12.231 -4.172) 15.964 11.183 ( -3.010 1.852 0.172) 3.538 11.647 ( 1.380 0.641 -3.294) 3.629 11.911 ( 3.924 -1.143 0.596) 4.130 12.033 ( 3.426 -6.041 -1.078) 7.028 12.337 ( 8.713 1.958 0.433) 8.941 12.521 ( -7.261 -6.766 2.078) 10.140 13.950 ( -0.096 -1.763 -0.229) 1.780 14.288 ( 2.957 -2.358 -0.191) 3.787 17.694 ( 4.508 -3.009 -1.278) 5.569 18.176 ( 3.418 4.919 -0.001) 5.990 18.586 ( -11.237 0.348 -5.146) 12.364 18.842 ( -4.555 8.902 5.575) 11.449 27.016 ( -2.421 8.082 -0.544) 8.454 27.560 ( -9.154 4.977 1.626) 10.545 28.285 ( -0.777 5.180 1.368) 5.414 28.932 ( 0.555 -4.188 0.949) 4.329 29.053 ( 2.360 -0.539 -2.883) 3.765 31.622 ( -6.476 13.672 -15.743) 21.834 35.187 ( 3.152 -5.215 12.430) 13.843 35.791 ( 8.684 -14.534 -2.629) 17.134 ======================= Grid point 220 (63/126) ======================= q-point: (-0.08 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.855 -1.854 -0.655) 2.144 1.354 ( -4.225 4.686 2.043) 6.631 1.439 ( -3.172 14.642 -5.882) 16.095 2.091 ( 0.393 10.448 8.629) 13.557 2.613 ( -14.602 20.359 -0.901) 25.070 3.501 ( -1.006 32.803 -1.592) 32.857 3.990 ( -8.218 1.273 2.375) 8.648 4.249 ( 3.363 10.340 0.434) 10.882 4.680 ( -6.307 3.066 -1.161) 7.108 5.239 ( -0.105 20.427 -0.788) 20.443 5.907 ( 1.901 -16.704 -0.718) 16.827 6.610 ( 1.007 3.180 1.431) 3.630 7.107 ( -2.148 -9.583 -0.713) 9.847 7.462 ( 1.852 14.323 1.051) 14.480 8.147 ( 0.791 1.866 -0.541) 2.098 8.500 ( 3.205 -16.611 -3.638) 17.304 11.151 ( -1.406 0.252 0.030) 1.429 11.671 ( -0.155 0.776 -1.785) 1.953 11.828 ( -8.291 -9.008 -2.655) 12.528 11.931 ( 0.411 -6.852 0.367) 6.874 12.376 ( -2.846 -3.060 0.978) 4.292 12.689 ( 17.904 6.783 2.518) 19.311 13.923 ( -0.450 -1.815 -0.295) 1.893 14.313 ( 1.961 -2.357 -0.109) 3.068 17.656 ( -2.857 -6.701 -0.725) 7.320 18.290 ( -1.870 9.656 -0.973) 9.884 18.474 ( 2.128 -0.608 -2.993) 3.722 18.857 ( -4.612 9.393 3.191) 10.940 26.911 ( -9.923 1.323 0.021) 10.011 27.691 ( 7.887 14.726 0.621) 16.717 28.268 ( -5.836 3.453 1.242) 6.894 28.883 ( -0.672 -4.645 -0.076) 4.694 29.088 ( 2.015 -0.516 -1.785) 2.741 31.697 ( -1.403 13.772 -13.491) 19.330 35.178 ( 1.826 -5.243 11.259) 12.554 35.749 ( 4.117 -15.842 -2.465) 16.553 ======================= Grid point 231 (64/126) ======================= q-point: (-0.33 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 2.730 -1.376 3.246) 4.459 1.434 ( -1.264 4.075 0.675) 4.320 1.898 ( -8.201 3.286 -4.638) 9.978 2.076 ( -6.802 8.367 6.411) 12.545 2.891 ( -4.059 20.621 -0.509) 21.023 4.002 ( -8.178 5.451 -0.493) 9.840 4.142 ( -11.724 10.664 -1.418) 15.912 4.473 ( -6.858 -0.004 1.833) 7.099 4.795 ( 4.944 9.769 0.151) 10.950 5.478 ( -14.131 1.764 -3.038) 14.561 5.706 ( 5.208 -4.795 0.730) 7.117 6.657 ( -2.044 -0.496 0.746) 2.232 6.936 ( 7.568 -2.188 -1.516) 8.022 7.725 ( -10.439 -4.354 1.097) 11.364 8.082 ( 8.774 -3.484 -1.236) 9.521 8.258 ( 2.140 -1.387 0.344) 2.573 11.222 ( 5.676 5.785 0.017) 8.104 11.328 ( 7.448 -4.672 -0.641) 8.815 11.825 ( 0.424 2.273 0.110) 2.315 11.949 ( -2.443 1.413 -2.507) 3.775 12.213 ( 3.952 -3.037 1.047) 5.093 12.907 ( -10.456 -4.689 1.809) 11.601 13.954 ( -0.995 1.783 -0.573) 2.121 14.192 ( 2.815 -5.060 -0.157) 5.793 17.516 ( 4.051 -1.301 -0.926) 4.354 18.186 ( -4.835 -0.668 -1.121) 5.008 18.721 ( 3.608 8.889 -1.057) 9.651 19.057 ( -6.012 -1.347 2.973) 6.841 26.916 ( 3.831 9.356 -0.217) 10.113 28.077 ( -10.963 -4.943 0.767) 12.050 28.259 ( -1.747 7.330 1.409) 7.666 28.803 ( 5.127 -2.181 0.085) 5.572 29.067 ( -2.017 -0.716 -1.407) 2.561 31.873 ( -6.548 4.258 -6.106) 9.914 35.125 ( -0.030 -1.147 5.401) 5.522 35.443 ( 10.126 -8.593 -2.339) 13.485 ======================= Grid point 232 (65/126) ======================= q-point: (-0.25 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 3.690 -2.540 3.010) 5.397 1.462 ( -2.294 7.174 -0.537) 7.551 1.767 ( -10.861 5.068 -6.884) 13.821 2.088 ( -2.012 9.241 8.117) 12.463 3.098 ( -4.633 29.305 -0.328) 29.671 3.815 ( -18.877 14.054 -1.918) 23.612 4.162 ( 0.038 8.190 0.619) 8.213 4.334 ( -8.958 -0.338 2.001) 9.185 5.008 ( 1.479 14.022 0.568) 14.111 5.220 ( -12.111 2.865 -2.070) 12.617 5.756 ( 7.238 -11.026 -1.233) 13.247 6.629 ( -1.532 1.828 1.523) 2.830 7.053 ( 7.872 -3.252 -1.392) 8.630 7.494 ( -9.317 -2.756 0.438) 9.726 8.163 ( 3.492 -2.078 -1.399) 4.297 8.281 ( 5.598 -8.290 0.172) 10.005 11.238 ( -2.422 0.592 -0.196) 2.501 11.586 ( 12.132 6.860 -0.509) 13.946 11.865 ( 1.823 3.232 0.589) 3.757 11.937 ( 1.058 -1.266 -2.542) 3.031 12.235 ( 2.972 -3.045 0.870) 4.343 12.616 ( -12.255 -10.400 1.702) 16.163 13.951 ( -0.874 0.276 -0.539) 1.064 14.202 ( 3.567 -3.437 -0.150) 4.956 17.570 ( 5.004 -4.660 -1.515) 7.004 18.183 ( 1.358 5.953 -0.143) 6.107 18.769 ( -7.487 2.622 -3.532) 8.684 18.964 ( -2.658 3.207 5.031) 6.532 27.113 ( 3.463 13.517 -0.511) 13.963 27.787 ( -14.831 -2.168 0.946) 15.019 28.326 ( 1.177 4.090 1.331) 4.459 28.856 ( 3.249 -2.818 0.507) 4.330 29.038 ( -0.170 -0.513 -1.893) 1.968 31.819 ( -5.178 6.219 -7.222) 10.847 35.116 ( 0.936 -2.250 6.297) 6.752 35.508 ( 8.757 -11.311 -2.330) 14.493 ======================= Grid point 233 (66/126) ======================= q-point: (-0.17 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 3.294 -3.553 2.699) 5.546 1.481 ( -4.196 5.569 0.505) 6.991 1.670 ( -6.914 9.663 -6.794) 13.687 2.176 ( 0.811 9.393 8.044) 12.394 3.123 ( -20.378 18.465 -0.535) 27.505 3.827 ( -3.022 26.351 -2.169) 26.612 4.163 ( -10.134 0.898 1.988) 10.366 4.280 ( 3.732 8.028 0.151) 8.854 4.887 ( -14.112 2.758 -1.037) 14.416 5.374 ( 7.048 17.436 0.216) 18.808 5.709 ( 2.503 -14.780 -2.118) 15.139 6.639 ( -0.030 2.101 1.779) 2.754 7.039 ( -1.834 -9.876 -1.375) 10.138 7.491 ( 6.255 7.637 0.468) 9.883 8.177 ( -0.779 1.487 -0.032) 1.679 8.261 ( 5.147 -15.272 -1.149) 16.156 11.190 ( -3.398 -0.076 -0.159) 3.402 11.717 ( -1.538 3.661 -0.939) 4.081 11.876 ( -3.221 -7.027 -1.743) 7.925 11.896 ( -4.437 -1.151 -0.500) 4.611 12.376 ( -0.546 -6.753 2.533) 7.233 12.428 ( 16.084 6.132 0.924) 17.238 13.930 ( -1.275 -0.255 -0.393) 1.358 14.238 ( 3.560 -2.806 -0.195) 4.537 17.584 ( 3.079 -6.988 -1.306) 7.747 18.311 ( 4.477 6.747 0.418) 8.108 18.600 ( -11.021 1.889 -2.910) 11.555 18.986 ( -1.735 5.360 3.253) 6.506 27.140 ( -12.503 4.154 -0.135) 13.176 27.707 ( 3.566 9.814 0.146) 10.442 28.358 ( -1.095 2.084 1.388) 2.733 28.845 ( -0.213 -4.220 0.407) 4.245 29.057 ( 2.003 0.392 -1.782) 2.709 31.829 ( -1.691 7.554 -6.893) 10.365 35.113 ( 1.291 -2.380 6.109) 6.682 35.516 ( 6.007 -12.754 -2.057) 14.247 ======================= Grid point 234 (67/126) ======================= q-point: (-0.08 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.803 -4.090 3.016) 5.145 1.429 ( -4.616 2.863 0.928) 5.511 1.734 ( -0.248 12.022 -3.682) 12.575 2.278 ( 0.485 7.715 7.369) 10.680 2.940 ( -14.993 12.311 -0.664) 19.411 4.007 ( -8.182 4.115 -0.642) 9.181 4.074 ( 0.808 19.735 -1.904) 19.843 4.460 ( 4.611 12.128 0.808) 13.000 4.712 ( -7.566 0.600 -0.655) 7.618 5.563 ( -1.325 -9.731 -3.407) 10.395 5.675 ( 5.104 14.722 1.318) 15.637 6.658 ( 1.204 -0.507 1.185) 1.764 6.908 ( -1.103 -8.361 -1.493) 8.565 7.717 ( 5.564 11.198 1.006) 12.544 8.149 ( 1.515 -15.178 0.134) 15.254 8.196 ( 0.912 0.124 -0.851) 1.253 11.124 ( -2.582 -2.405 -0.187) 3.533 11.547 ( -9.405 -10.646 -0.430) 14.212 11.796 ( -1.156 2.606 -2.250) 3.632 11.870 ( -0.897 1.289 -0.205) 1.584 12.291 ( -1.027 -5.124 0.862) 5.296 12.839 ( 16.872 7.541 2.573) 18.659 13.917 ( -0.305 1.268 -0.436) 1.375 14.248 ( 1.274 -4.261 -0.172) 4.451 17.534 ( -1.297 -5.200 -0.749) 5.412 18.433 ( 6.682 -1.769 -0.620) 6.940 18.484 ( -8.282 7.797 -1.307) 11.450 19.007 ( -1.789 5.748 1.763) 6.273 26.932 ( -10.814 0.812 0.081) 10.845 27.945 ( 8.587 10.377 -0.158) 13.470 28.335 ( -4.278 3.268 1.253) 5.527 28.787 ( -0.866 -4.687 -0.067) 4.767 29.095 ( 1.499 0.710 -1.185) 2.039 31.897 ( 0.574 6.867 -5.457) 8.790 35.113 ( 0.928 -1.380 4.818) 5.097 35.464 ( 2.758 -12.494 -1.570) 12.891 ======================= Grid point 244 (68/126) ======================= q-point: (-0.42 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -0.057 0.246 5.320) 5.326 1.472 ( 1.213 3.658 0.522) 3.889 1.967 ( -0.319 -1.161 2.038) 2.367 2.279 ( -6.444 5.364 2.172) 8.661 3.081 ( 2.985 15.659 -0.279) 15.943 4.071 ( 1.845 4.701 -0.177) 5.053 4.398 ( -3.977 0.107 -3.012) 4.990 4.566 ( -3.854 4.961 0.054) 6.283 4.833 ( -0.733 5.744 0.239) 5.796 5.387 ( 9.330 -5.154 -3.916) 11.355 5.886 ( -13.403 2.058 1.330) 13.625 6.669 ( 0.142 -6.251 -0.028) 6.253 6.808 ( 3.537 0.370 -1.229) 3.762 7.713 ( -1.842 -5.193 -1.066) 5.612 8.052 ( 1.840 1.729 2.480) 3.539 8.206 ( -1.655 -4.760 0.442) 5.059 11.106 ( 9.098 6.076 0.070) 10.940 11.300 ( -1.352 1.818 -1.108) 2.522 11.820 ( 1.724 1.876 0.288) 2.564 12.053 ( -5.535 2.887 -1.805) 6.498 12.101 ( 5.546 -2.646 0.821) 6.200 12.992 ( -6.958 -9.127 2.276) 11.700 14.023 ( -3.880 2.939 -0.604) 4.905 14.083 ( 3.498 -4.868 -0.094) 5.995 17.457 ( 1.188 -1.052 -0.738) 1.750 18.274 ( -6.199 -1.172 -0.964) 6.382 18.711 ( 7.264 7.942 0.032) 10.764 19.106 ( -2.239 -2.608 1.354) 3.694 26.937 ( 4.726 9.557 -0.074) 10.662 28.132 ( -1.380 -2.347 0.141) 2.726 28.374 ( -4.855 0.359 0.923) 4.955 28.714 ( 3.452 0.040 -0.164) 3.456 29.092 ( -2.073 -1.528 -0.644) 2.654 31.974 ( -2.791 0.425 -2.540) 3.798 35.150 ( -3.138 0.419 1.898) 3.691 35.235 ( 5.939 -4.872 -1.065) 7.755 ======================= Grid point 245 (69/126) ======================= q-point: (-0.33 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 1.143 -1.156 5.509) 5.744 1.544 ( 0.620 6.618 -0.623) 6.676 1.920 ( -4.234 -0.515 -0.969) 4.374 2.236 ( -4.854 7.073 4.067) 9.494 3.376 ( 4.736 26.768 -0.077) 27.184 4.135 ( -2.461 7.101 -1.721) 7.709 4.295 ( -9.336 4.378 -2.129) 10.529 4.475 ( -8.278 0.741 0.997) 8.371 5.011 ( 9.508 11.895 0.838) 15.251 5.462 ( 0.331 -2.636 -3.693) 4.549 5.621 ( -12.812 -3.261 0.659) 13.236 6.607 ( 2.671 -10.507 0.283) 10.845 6.916 ( 6.040 4.732 -0.684) 7.703 7.571 ( -6.730 -7.328 -0.691) 9.973 8.101 ( -0.256 1.804 1.113) 2.135 8.137 ( 4.206 -9.935 0.590) 10.805 11.297 ( -2.455 3.671 -0.588) 4.455 11.414 ( 15.903 10.780 0.492) 19.218 11.870 ( 1.266 2.290 0.293) 2.633 11.988 ( -4.793 2.383 -2.355) 5.848 12.152 ( 3.363 -3.095 0.909) 4.660 12.701 ( -11.520 -15.152 1.864) 19.125 13.989 ( -2.626 1.328 -0.567) 2.997 14.103 ( 3.772 -3.438 -0.094) 5.104 17.453 ( 2.143 -5.362 -1.443) 5.952 18.243 ( -0.704 6.475 -0.139) 6.515 18.873 ( 1.421 6.079 -0.843) 6.299 19.011 ( -3.717 -3.078 2.327) 5.358 27.170 ( 6.644 15.587 -0.309) 16.947 27.993 ( -11.333 -3.552 0.397) 11.883 28.333 ( 0.179 0.164 0.858) 0.892 28.781 ( 3.676 0.007 -0.150) 3.679 29.036 ( -1.473 -2.486 -0.783) 2.994 31.928 ( -3.226 1.415 -2.855) 4.534 35.107 ( -1.554 -0.683 2.615) 3.118 35.283 ( 6.419 -7.206 -1.543) 9.773 ======================= Grid point 246 (70/126) ======================= q-point: (-0.25 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 2.311 -1.981 5.501) 6.287 1.600 ( -2.532 6.288 -0.247) 6.783 1.835 ( -5.003 2.128 -3.702) 6.577 2.261 ( -1.063 7.400 5.712) 9.409 3.610 ( -12.111 20.069 -0.545) 23.446 4.121 ( -6.015 15.823 -2.665) 17.136 4.284 ( 2.509 5.499 -0.604) 6.074 4.333 ( -8.153 0.066 1.167) 8.236 5.206 ( -19.070 3.141 -0.302) 19.329 5.350 ( 11.332 12.077 0.980) 16.590 5.542 ( 3.698 -8.251 -3.492) 9.692 6.552 ( 5.192 -14.347 0.734) 15.275 7.043 ( -2.240 5.467 -0.103) 5.909 7.444 ( 2.365 -0.027 -0.772) 2.488 8.047 ( 3.089 -13.356 -0.020) 13.709 8.171 ( 2.298 0.111 1.080) 2.541 11.277 ( -4.610 3.984 -0.171) 6.096 11.743 ( 5.154 5.338 0.462) 7.434 11.889 ( -2.210 0.631 -1.481) 2.734 11.964 ( -1.393 3.327 -0.535) 3.646 12.182 ( 8.541 -1.717 1.058) 8.776 12.386 ( -5.717 -11.293 1.348) 12.729 13.958 ( -1.897 0.557 -0.345) 2.007 14.142 ( 4.059 -2.765 -0.203) 4.916 17.442 ( 4.189 -6.959 -1.711) 8.301 18.335 ( 1.306 7.543 0.656) 7.683 18.797 ( -9.474 1.311 -1.608) 9.699 19.020 ( 1.841 1.732 2.512) 3.564 27.377 ( -4.576 11.469 -0.324) 12.352 27.783 ( -5.597 2.653 0.158) 6.196 28.352 ( 2.027 -1.341 0.881) 2.585 28.815 ( 0.346 -1.333 0.092) 1.380 29.015 ( 2.016 -1.820 -1.011) 2.898 31.906 ( -1.446 2.791 -2.884) 4.266 35.087 ( -0.022 -0.699 2.669) 2.759 35.308 ( 5.491 -8.609 -1.444) 10.313 ======================= Grid point 247 (71/126) ======================= q-point: (-0.17 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 1.990 -2.563 5.198) 6.128 1.555 ( -6.669 2.233 -0.143) 7.034 1.836 ( -0.481 6.583 -2.133) 6.936 2.325 ( 0.836 4.850 5.790) 7.599 3.385 ( -23.697 8.466 -0.469) 25.168 4.182 ( -9.017 1.082 -0.012) 9.082 4.229 ( -0.018 10.395 -3.371) 10.928 4.499 ( 6.980 15.593 0.637) 17.096 4.915 ( -15.024 0.531 -0.254) 15.036 5.437 ( 0.576 -11.241 -3.678) 11.841 5.740 ( 8.879 17.927 0.597) 20.014 6.513 ( 7.813 -14.067 0.998) 16.123 6.938 ( -8.100 -0.322 -1.058) 8.175 7.669 ( 11.857 10.725 0.502) 15.996 7.951 ( 2.164 -15.257 -0.354) 15.414 8.199 ( 1.006 0.052 1.113) 1.501 11.207 ( -7.183 2.066 -0.076) 7.475 11.610 ( -10.280 -10.724 -0.496) 14.863 11.851 ( -3.104 1.603 -1.208) 3.697 11.940 ( -2.687 4.869 -0.218) 5.566 12.240 ( 0.181 -6.643 0.984) 6.718 12.574 ( 21.789 7.474 1.713) 23.099 13.943 ( -0.863 1.744 -0.230) 1.959 14.170 ( 2.687 -4.142 -0.290) 4.945 17.458 ( 3.973 -4.920 -1.282) 6.453 18.373 ( -0.944 -0.624 0.108) 1.137 18.694 ( -7.098 7.103 -0.792) 10.073 19.052 ( 0.608 1.422 1.581) 2.212 27.189 ( -17.176 1.158 0.021) 17.215 27.917 ( 6.680 10.155 -0.290) 12.158 28.369 ( 1.397 -0.805 0.872) 1.833 28.772 ( -2.046 -2.868 0.021) 3.523 29.057 ( 3.360 -0.422 -0.871) 3.497 31.933 ( 0.818 3.205 -2.616) 4.218 35.093 ( 0.877 0.509 2.054) 2.291 35.300 ( 3.706 -8.785 -0.911) 9.578 ======================= Grid point 248 (72/126) ======================= q-point: (-0.08 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.160 -2.557 5.186) 5.784 1.468 ( -4.314 1.104 0.546) 4.486 1.907 ( 0.847 5.705 0.671) 5.806 2.363 ( 0.037 0.198 4.539) 4.543 3.097 ( -14.767 3.572 -0.390) 15.198 4.056 ( -6.681 2.012 -0.292) 6.984 4.334 ( 2.458 7.078 -3.225) 8.158 4.656 ( -5.696 -0.257 0.253) 5.707 4.787 ( 0.395 10.187 0.033) 10.195 5.327 ( -1.060 -7.476 -4.793) 8.944 5.973 ( 2.326 7.220 1.369) 7.708 6.587 ( 9.511 -1.261 0.700) 9.620 6.827 ( -3.470 -2.005 -1.622) 4.323 7.820 ( -1.654 -9.112 -1.300) 9.351 7.945 ( 7.498 5.966 2.190) 9.829 8.219 ( 1.784 -0.005 1.019) 2.055 11.078 ( -7.142 -1.445 -0.058) 7.287 11.377 ( -5.305 -6.001 -1.104) 8.086 11.812 ( -2.193 0.295 -0.006) 2.213 11.970 ( -0.958 6.645 -0.637) 6.744 12.179 ( -0.099 -6.114 0.008) 6.115 12.962 ( 14.219 4.288 2.481) 15.057 13.974 ( 1.155 4.364 -0.316) 4.525 14.144 ( 0.149 -6.017 -0.309) 6.027 17.460 ( 0.259 -2.002 -0.670) 2.127 18.366 ( 4.676 -4.241 -0.942) 6.383 18.629 ( -9.258 5.944 0.072) 11.002 19.088 ( 1.185 2.485 0.964) 2.917 26.942 ( -10.911 0.139 0.037) 10.912 28.092 ( 4.170 4.440 -0.109) 6.092 28.393 ( 0.806 2.034 0.735) 2.308 28.710 ( -1.640 -2.494 -0.074) 2.986 29.103 ( 2.041 -0.073 -0.641) 2.140 31.982 ( 1.330 1.891 -2.330) 3.282 35.125 ( 0.882 2.680 0.947) 2.976 35.264 ( 1.671 -7.651 -0.043) 7.831 ======================= Grid point 256 (73/126) ======================= q-point: (-0.42 0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -1.341 -0.391 6.485) 6.634 1.574 ( 3.236 6.204 -0.652) 7.027 1.925 ( 1.073 -2.873 1.010) 3.228 2.348 ( -2.057 1.721 3.647) 4.528 3.468 ( 12.503 21.925 -0.072) 25.239 4.184 ( 2.324 6.052 -0.919) 6.547 4.347 ( 1.987 -3.264 -3.399) 5.114 4.656 ( -6.207 -0.910 0.247) 6.278 4.952 ( 9.700 8.963 0.638) 13.222 5.334 ( 3.281 0.051 -5.028) 6.004 5.905 ( -10.310 -0.745 1.430) 10.435 6.376 ( -1.138 -18.770 0.401) 18.809 6.925 ( 3.775 9.582 -1.058) 10.353 7.678 ( -10.838 0.547 -0.082) 10.852 7.921 ( 6.134 -14.097 0.394) 15.379 8.165 ( -3.531 0.620 1.599) 3.925 11.277 ( 10.667 8.478 0.305) 13.629 11.417 ( -2.802 11.087 -0.756) 11.461 11.868 ( 2.057 2.833 -0.309) 3.515 12.048 ( 4.651 -1.984 -0.198) 5.061 12.113 ( -5.392 2.473 -0.036) 5.932 12.690 ( -7.476 -20.129 1.863) 21.554 13.999 ( 2.765 -2.332 -0.168) 3.621 14.080 ( -4.164 1.443 -0.381) 4.423 17.407 ( -2.340 -3.881 -1.311) 4.718 18.322 ( -1.184 5.482 -0.122) 5.610 18.829 ( 8.160 3.235 0.603) 8.799 19.048 ( -3.228 -2.485 0.604) 4.118 27.195 ( 8.488 15.723 -0.092) 17.868 28.057 ( -0.377 -5.668 0.020) 5.681 28.341 ( -3.306 -3.036 0.502) 4.516 28.743 ( 1.806 2.675 -0.149) 3.231 29.044 ( -2.682 -3.226 -0.514) 4.227 31.963 ( -0.869 -1.257 -1.489) 2.134 35.132 ( 0.985 -2.627 0.001) 2.806 35.177 ( -2.856 -0.457 0.270) 2.905 ======================= Grid point 258 (74/126) ======================= q-point: (-0.33 0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.252 -0.887 7.467) 7.524 1.682 ( 0.966 6.993 -0.832) 7.109 1.885 ( -1.826 -2.948 -0.268) 3.478 2.344 ( -1.455 3.676 3.826) 5.501 3.884 ( 5.648 22.730 -0.213) 23.422 4.244 ( 0.101 2.959 -2.368) 3.791 4.342 ( -0.644 1.723 -2.631) 3.210 4.480 ( -10.545 -1.522 0.434) 10.663 5.254 ( 10.810 10.044 0.046) 14.756 5.412 ( 6.687 1.499 -3.624) 7.752 5.609 ( -22.732 1.973 0.916) 22.836 6.220 ( 7.855 -24.831 0.643) 26.052 7.144 ( 5.591 15.730 -0.240) 16.695 7.483 ( -10.059 -2.003 -0.342) 10.262 7.840 ( 4.077 -17.587 0.131) 18.054 8.149 ( 0.232 1.243 1.419) 1.900 11.411 ( -2.875 6.593 0.123) 7.193 11.657 ( 12.667 13.056 0.512) 18.198 11.924 ( 0.830 3.390 -0.639) 3.548 12.033 ( -4.109 1.668 -0.668) 4.485 12.088 ( 0.847 -3.383 0.302) 3.500 12.350 ( -7.013 -18.904 1.394) 20.211 14.002 ( -1.736 0.407 -0.253) 1.801 14.059 ( 2.126 -1.465 -0.206) 2.590 17.336 ( 0.416 -5.286 -1.807) 5.601 18.396 ( 0.751 7.265 0.943) 7.364 18.942 ( -6.535 -0.546 -0.259) 6.563 18.963 ( 5.253 0.252 1.058) 5.364 27.501 ( 6.101 16.826 -0.232) 17.899 27.923 ( -8.783 -4.130 0.145) 9.707 28.280 ( 1.437 -4.642 0.338) 4.871 28.806 ( 1.577 2.573 -0.194) 3.024 28.968 ( -0.827 -4.261 -0.480) 4.367 31.939 ( -0.880 0.005 -1.101) 1.410 35.099 ( -1.723 -0.101 0.725) 1.872 35.168 ( 2.999 -4.280 -0.684) 5.270 ======================= Grid point 259 (75/126) ======================= q-point: (-0.25 0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 1.278 -1.033 7.396) 7.577 1.690 ( -6.205 2.226 -0.594) 6.619 1.866 ( 1.755 1.361 -0.691) 2.326 2.358 ( -0.730 2.087 4.174) 4.723 3.872 ( -22.349 6.987 -0.552) 23.422 4.273 ( -0.084 0.299 -2.341) 2.361 4.320 ( -4.862 0.965 -2.235) 5.437 4.497 ( 8.715 9.222 0.626) 12.704 5.222 ( -18.641 -0.967 -0.217) 18.668 5.360 ( -1.201 -1.214 -3.887) 4.245 5.725 ( 12.023 16.178 0.920) 20.177 6.155 ( 12.580 -20.336 0.796) 23.926 7.150 ( -14.806 2.398 -0.515) 15.008 7.554 ( 12.230 10.165 0.255) 15.905 7.757 ( 5.270 -13.698 -0.177) 14.678 8.168 ( 1.118 -0.783 1.371) 1.935 11.388 ( -7.274 6.178 0.352) 9.549 11.703 ( -11.713 -6.597 -0.281) 13.446 11.930 ( -4.241 1.002 -0.972) 4.465 12.025 ( -1.903 2.864 0.104) 3.440 12.148 ( 4.413 -4.955 1.182) 6.739 12.268 ( 18.330 2.483 0.642) 18.508 13.981 ( -1.426 1.813 -0.153) 2.312 14.085 ( 2.731 -3.014 -0.278) 4.077 17.336 ( 4.411 -3.031 -1.782) 5.641 18.424 ( -3.656 1.006 1.092) 3.946 18.857 ( -4.791 4.916 -0.229) 6.868 19.019 ( 2.631 -1.948 0.813) 3.372 27.512 ( -17.308 2.309 -0.067) 17.461 27.899 ( 6.239 6.981 -0.130) 9.363 28.289 ( 4.246 -3.915 0.392) 5.788 28.804 ( -3.176 0.076 -0.122) 3.180 28.974 ( 4.645 -1.786 -0.532) 5.005 31.939 ( 0.496 0.729 -1.067) 1.384 35.092 ( 0.316 1.355 0.489) 1.475 35.175 ( 2.885 -4.677 -0.437) 5.513 ======================= Grid point 271 (76/126) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -0.000 0.000 8.307) 8.307 1.805 ( -2.245 -4.489 -0.451) 5.039 1.805 ( 2.245 4.489 -0.451) 5.039 2.379 ( 0.000 0.000 3.735) 3.735 4.211 ( -3.924 -7.847 -2.075) 9.015 4.211 ( 3.924 7.847 -2.075) 9.015 4.398 ( -2.131 -4.261 -0.529) 4.793 4.398 ( 2.131 4.261 -0.529) 4.793 5.297 ( -0.000 0.000 -5.310) 5.310 5.643 ( -4.299 -8.599 1.474) 9.726 5.643 ( 4.299 8.599 1.474) 9.726 5.792 ( 0.000 -0.000 0.132) 0.132 7.474 ( -6.418 -12.835 -0.262) 14.353 7.474 ( 6.418 12.835 -0.262) 14.353 7.483 ( 0.000 -0.000 0.333) 0.333 8.158 ( 0.000 0.000 1.252) 1.252 11.491 ( 0.000 0.000 0.611) 0.611 11.921 ( -5.855 -11.710 0.168) 13.093 11.921 ( 5.855 11.710 0.168) 13.093 11.995 ( 0.000 -0.000 -0.750) 0.750 12.082 ( -1.591 -3.181 0.483) 3.589 12.082 ( 1.591 3.181 0.483) 3.589 14.025 ( -0.943 -1.886 -0.192) 2.118 14.025 ( 0.943 1.886 -0.192) 2.118 17.279 ( 0.000 0.000 -1.934) 1.934 18.473 ( 0.000 -0.000 1.682) 1.682 18.950 ( -1.172 -2.345 0.109) 2.624 18.950 ( 1.172 2.345 0.109) 2.624 27.787 ( -4.722 -9.445 -0.044) 10.559 27.787 ( 4.722 9.445 -0.044) 10.559 28.214 ( 0.000 0.000 0.132) 0.132 28.878 ( -1.999 -3.999 -0.303) 4.481 28.878 ( 1.999 3.999 -0.303) 4.481 31.938 ( 0.000 0.000 -0.587) 0.587 35.111 ( -0.740 -1.479 -0.129) 1.659 35.111 ( 0.740 1.479 -0.129) 1.659 ======================= Grid point 314 (77/126) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -0.000 -0.000 14.586) 14.586 0.906 ( 0.000 0.000 14.586) 14.586 1.220 ( 0.000 0.000 18.615) 18.615 1.367 ( -0.000 -0.000 -8.985) 8.985 1.367 ( 0.000 0.000 -8.985) 8.985 2.025 ( 0.000 -0.000 -11.930) 11.930 3.602 ( 0.000 -0.000 -0.878) 0.878 3.602 ( 0.000 0.000 -0.878) 0.878 4.270 ( 0.000 -0.000 0.954) 0.954 4.270 ( 0.000 0.000 0.954) 0.954 6.612 ( 0.000 -0.000 -1.493) 1.493 6.612 ( 0.000 -0.000 -1.493) 1.493 6.787 ( 0.000 -0.000 0.266) 0.266 7.702 ( 0.000 0.000 0.031) 0.031 8.059 ( 0.000 -0.000 0.750) 0.750 8.059 ( 0.000 0.000 0.750) 0.750 10.905 ( 0.000 -0.000 0.001) 0.001 11.881 ( 0.000 -0.000 0.341) 0.341 11.881 ( 0.000 -0.000 0.341) 0.341 12.251 ( 0.000 -0.000 -0.264) 0.264 12.251 ( -0.000 0.000 -0.264) 0.264 12.828 ( 0.000 0.000 -0.046) 0.046 14.397 ( 0.000 0.000 0.028) 0.028 14.720 ( 0.000 0.000 0.049) 0.049 17.893 ( 0.000 0.000 0.002) 0.002 17.893 ( 0.000 0.000 0.002) 0.002 18.032 ( 0.000 -0.000 0.014) 0.014 18.032 ( 0.000 -0.000 0.014) 0.014 26.779 ( 0.000 -0.000 0.014) 0.014 26.779 ( 0.000 0.000 0.014) 0.014 28.113 ( -0.000 -0.000 0.003) 0.003 28.113 ( 0.000 0.000 0.003) 0.003 29.271 ( 0.000 0.000 -0.016) 0.016 29.606 ( 0.000 0.000 -0.123) 0.123 36.611 ( 0.000 -0.000 -0.175) 0.175 36.689 ( 0.000 0.000 0.150) 0.150 ======================= Grid point 315 (78/126) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -5.786 0.525 13.881) 15.048 1.123 ( 14.948 7.655 14.739) 22.344 1.393 ( 5.334 2.887 -9.685) 11.428 1.404 ( 21.031 11.066 6.738) 24.701 1.594 ( 11.177 6.739 -5.037) 13.990 1.883 ( -2.784 -2.445 -6.089) 7.127 3.644 ( 4.038 2.716 0.493) 4.891 3.728 ( 9.990 4.734 -1.460) 11.151 4.297 ( 3.853 -0.012 0.989) 3.978 4.469 ( 11.591 9.414 -0.465) 14.940 6.615 ( -3.260 -3.619 -1.400) 5.068 6.653 ( -5.720 0.526 -0.606) 5.776 6.722 ( 9.146 3.022 -1.169) 9.703 7.617 ( -7.207 -1.245 3.386) 8.060 8.064 ( 1.421 -0.351 1.061) 1.807 8.312 ( 14.588 7.330 -7.785) 18.087 10.930 ( 2.402 1.356 -0.028) 2.759 11.840 ( -3.472 -1.978 -0.073) 3.996 11.992 ( 7.187 4.094 -0.516) 8.287 12.203 ( -3.044 -2.614 -0.305) 4.024 12.253 ( -0.288 0.658 -0.305) 0.780 12.794 ( -3.220 -1.663 0.398) 3.646 14.385 ( -0.953 -0.541 0.084) 1.100 14.478 ( -16.847 -9.441 2.241) 19.442 17.844 ( -4.991 2.641 0.094) 5.647 17.961 ( 6.742 -9.030 -2.430) 11.528 18.155 ( 12.056 -0.709 1.338) 12.151 18.194 ( 9.159 19.326 -2.362) 21.517 26.780 ( -0.009 0.250 0.099) 0.269 26.950 ( 14.171 7.769 -0.599) 16.172 28.117 ( 0.357 0.135 -0.071) 0.388 28.477 ( 22.094 13.019 -5.889) 26.311 29.438 ( 7.521 4.409 4.567) 9.841 29.564 ( 6.620 3.925 -8.229) 11.267 36.432 ( -17.600 -9.997 6.733) 21.332 36.511 ( -10.538 -6.165 -1.610) 12.315 ======================= Grid point 316 (79/126) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 3.082 5.330 2.205) 6.540 1.350 ( 4.275 2.083 4.964) 6.874 1.504 ( -7.844 -6.413 -4.051) 10.912 1.670 ( 18.178 13.025 -3.177) 22.587 1.766 ( 12.794 5.621 8.315) 16.261 2.420 ( 35.289 20.187 -1.424) 40.680 3.775 ( 5.457 5.602 1.619) 7.986 3.983 ( 13.541 3.649 -1.097) 14.067 4.404 ( 7.203 2.261 0.451) 7.563 4.740 ( 9.452 8.346 -0.519) 12.620 6.376 ( -11.659 -7.721 -0.428) 13.990 6.658 ( 0.971 0.015 -2.058) 2.275 7.001 ( 14.511 8.483 -0.848) 16.830 7.443 ( -11.370 -0.760 2.245) 11.614 8.103 ( 3.830 -1.165 0.770) 4.077 8.512 ( 2.566 1.163 -7.157) 7.692 11.016 ( 4.903 2.585 -0.174) 5.546 11.745 ( -3.856 -3.105 -0.811) 5.017 11.987 ( -8.764 -1.615 -0.530) 8.928 12.165 ( -1.807 -4.789 0.620) 5.156 12.306 ( 4.467 5.577 -1.655) 7.335 12.706 ( -2.288 -2.697 2.662) 4.427 14.142 ( -10.897 -6.322 1.772) 12.722 14.359 ( -1.336 -0.609 0.258) 1.491 17.769 ( -8.195 4.378 -0.239) 9.295 17.986 ( 6.711 -6.591 -2.523) 9.739 18.334 ( 9.926 -1.356 0.451) 10.028 18.593 ( 13.337 14.929 -2.668) 20.196 26.785 ( 0.128 0.722 0.148) 0.748 27.346 ( 19.810 9.564 -0.904) 22.016 28.127 ( 0.127 1.040 -0.079) 1.050 28.815 ( 8.123 4.892 -4.350) 10.432 29.284 ( -10.290 -5.629 1.960) 11.892 30.260 ( 38.221 22.114 -12.055) 45.774 35.979 ( -19.515 -10.917 13.060) 25.895 36.212 ( -14.962 -8.832 -4.286) 17.895 ======================= Grid point 317 (80/126) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 12.776 8.836 -3.366) 15.894 1.348 ( -4.295 -2.494 0.314) 4.977 1.423 ( 3.636 0.607 -0.607) 3.736 1.977 ( 7.693 7.527 6.577) 12.614 2.171 ( 21.393 10.484 1.751) 23.888 3.198 ( 31.226 17.767 -1.469) 35.957 3.911 ( 3.331 5.524 0.859) 6.508 4.238 ( 12.434 2.184 -0.275) 12.628 4.561 ( 7.537 1.235 0.435) 7.649 4.996 ( 11.244 10.202 -0.745) 15.201 6.090 ( -12.304 -7.948 -0.466) 14.656 6.671 ( 1.159 -0.685 -1.187) 1.795 7.198 ( -8.985 -4.280 1.020) 10.004 7.377 ( 11.681 11.951 -1.174) 16.752 8.164 ( 4.782 -2.062 0.088) 5.208 8.441 ( -8.230 -3.802 -2.743) 9.472 11.121 ( 4.066 1.072 -0.000) 4.205 11.681 ( -0.287 -0.931 -1.915) 2.149 11.771 ( -13.251 -2.481 -0.242) 13.483 12.028 ( -6.199 -4.999 -0.066) 7.964 12.370 ( -2.739 2.315 -0.632) 3.642 12.748 ( 8.941 -0.667 4.186) 9.895 13.975 ( -4.217 -2.690 -0.076) 5.003 14.327 ( -1.919 -0.439 0.352) 2.000 17.657 ( -7.634 1.232 -0.846) 7.778 18.067 ( 5.362 1.547 -0.976) 5.666 18.464 ( 8.301 -4.261 0.606) 9.351 18.902 ( 8.441 9.412 -2.480) 12.884 26.799 ( 0.433 1.029 0.146) 1.126 27.763 ( 18.910 5.403 -0.787) 19.683 28.144 ( -0.813 3.952 0.140) 4.037 28.941 ( 3.051 2.528 -3.520) 5.300 29.062 ( -8.322 -4.879 2.043) 9.861 31.054 ( 29.336 16.794 -8.553) 34.868 35.596 ( -13.953 -7.669 11.810) 19.824 35.855 ( -15.368 -9.144 -5.082) 18.590 ======================= Grid point 318 (81/126) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -1.063 -2.017 2.500) 3.384 1.428 ( 2.240 3.809 0.723) 4.478 1.603 ( 15.838 6.576 -5.489) 18.006 2.156 ( 5.838 5.082 7.881) 11.046 2.596 ( 15.954 9.067 1.131) 18.385 3.807 ( 21.370 13.195 -2.789) 25.270 3.995 ( 1.945 2.801 -0.169) 3.414 4.450 ( 9.570 2.731 0.282) 9.956 4.650 ( 3.078 -1.867 -0.116) 3.602 5.349 ( 14.979 12.615 -0.093) 19.583 5.808 ( -10.603 -7.396 -0.817) 12.953 6.689 ( 0.685 0.832 -0.372) 1.140 6.973 ( -9.568 -5.171 -0.205) 10.878 7.703 ( 11.764 8.551 -1.124) 14.587 8.199 ( -12.025 -6.574 0.675) 13.721 8.216 ( 2.950 -1.418 -0.439) 3.303 11.146 ( 0.050 -3.398 0.132) 3.401 11.503 ( -14.873 0.422 -0.307) 14.882 11.735 ( 5.193 1.039 -1.932) 5.637 11.909 ( -2.826 -2.002 -0.984) 3.600 12.302 ( -4.924 -1.140 0.954) 5.144 12.927 ( 10.537 0.368 3.532) 11.120 13.921 ( -0.427 -0.601 -0.686) 1.007 14.276 ( -3.656 -0.583 0.222) 3.709 17.546 ( -5.413 -0.306 -0.723) 5.470 18.188 ( 3.537 6.709 0.059) 7.585 18.535 ( 6.385 -6.812 0.581) 9.354 19.076 ( 3.704 5.243 -2.128) 6.763 26.819 ( 0.636 0.978 0.107) 1.171 28.057 ( 13.079 -5.081 -0.674) 14.047 28.202 ( 0.354 11.745 0.411) 11.758 28.864 ( -6.807 -3.201 -1.068) 7.597 29.037 ( 2.637 1.685 0.066) 3.130 31.583 ( 17.393 9.827 -4.135) 20.400 35.348 ( -8.162 -4.412 7.434) 11.889 35.529 ( -12.456 -7.464 -3.917) 15.040 ======================= Grid point 319 (82/126) ======================= q-point: ( 0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.353 -0.839 3.404) 3.523 1.468 ( 0.438 1.287 0.583) 1.479 1.914 ( 10.861 4.746 -3.146) 12.263 2.281 ( 4.444 3.041 7.273) 9.050 2.879 ( 8.381 5.208 0.463) 9.878 4.018 ( -0.576 2.285 -1.748) 2.934 4.213 ( 13.576 5.303 -2.268) 14.750 4.587 ( -1.348 2.875 0.338) 3.193 4.695 ( 8.913 0.051 0.243) 8.916 5.433 ( -11.520 -5.408 -3.618) 13.231 5.837 ( 13.038 8.526 1.858) 15.689 6.692 ( -0.557 -0.512 0.338) 0.829 6.813 ( -3.403 -3.496 -1.041) 4.988 7.822 ( -8.364 1.162 -2.160) 8.716 8.035 ( 4.597 -3.237 3.038) 6.391 8.247 ( 1.208 0.580 -0.219) 1.357 11.064 ( -3.992 -4.406 0.012) 5.945 11.325 ( -6.551 1.812 -0.465) 6.813 11.798 ( 0.804 -0.796 -0.052) 1.133 11.935 ( 4.922 3.486 -2.808) 6.653 12.190 ( -5.515 -3.152 1.699) 6.575 13.084 ( 6.764 0.200 2.562) 7.236 13.950 ( 3.529 1.050 -0.509) 3.717 14.185 ( -5.927 -1.169 -0.012) 6.041 17.472 ( -2.770 -0.337 -0.376) 2.816 18.309 ( 1.825 7.729 0.194) 7.944 18.551 ( 3.916 -7.250 0.290) 8.245 19.146 ( 0.550 2.004 -1.234) 2.417 26.837 ( 0.499 0.558 0.057) 0.751 28.134 ( 3.097 -2.466 -0.048) 3.959 28.361 ( 4.718 6.222 0.056) 7.809 28.738 ( -4.480 -2.345 -0.314) 5.066 29.089 ( 1.476 1.410 -0.256) 2.057 31.866 ( 7.854 4.423 -1.747) 9.182 35.222 ( -3.229 -1.720 2.448) 4.402 35.296 ( -7.294 -4.387 -1.140) 8.588 ======================= Grid point 320 (83/126) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 1.030 -0.278 2.654) 2.861 1.475 ( -0.538 0.325 0.901) 1.099 2.012 ( -1.910 -0.807 1.521) 2.571 2.376 ( 3.607 0.918 1.869) 4.165 2.981 ( 0.244 0.300 -0.050) 0.390 4.009 ( -1.189 -0.768 -0.270) 1.441 4.367 ( -0.667 0.160 -2.153) 2.260 4.555 ( 0.298 0.291 0.068) 0.422 4.860 ( 1.387 0.552 0.215) 1.508 5.210 ( -2.686 -0.767 -2.743) 3.915 6.032 ( 1.006 0.481 0.817) 1.383 6.704 ( 0.974 -0.001 0.067) 0.976 6.749 ( -1.029 -0.017 -0.904) 1.370 7.709 ( 0.073 -0.871 -0.675) 1.104 8.088 ( 0.398 0.561 1.360) 1.524 8.263 ( -0.274 -0.128 0.507) 0.590 10.995 ( 0.027 0.018 -0.066) 0.073 11.286 ( -0.102 0.422 -0.735) 0.854 11.796 ( 0.062 -0.159 0.166) 0.238 12.021 ( -3.346 -2.114 -0.286) 3.968 12.104 ( 3.176 1.672 -0.233) 3.597 13.151 ( 0.690 0.161 1.488) 1.648 14.040 ( -0.101 0.106 -0.407) 0.433 14.073 ( -0.054 0.029 0.005) 0.061 17.446 ( -0.285 0.425 -0.209) 0.553 18.381 ( 1.138 -0.131 -0.814) 1.405 18.543 ( -0.005 0.257 0.046) 0.262 19.144 ( -1.150 -0.890 0.612) 1.577 26.845 ( 0.075 -0.052 0.002) 0.091 28.148 ( -0.009 0.049 0.040) 0.064 28.436 ( -0.444 -0.437 0.514) 0.808 28.681 ( -0.099 0.167 -0.110) 0.223 29.111 ( 0.058 0.164 -0.325) 0.368 31.956 ( 0.279 0.239 -1.386) 1.434 35.169 ( -1.535 -0.890 -0.027) 1.775 35.230 ( 1.667 0.941 0.467) 1.970 ======================= Grid point 322 (84/126) ======================= q-point: (-0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 1.439 0.090 1.046) 1.781 1.457 ( -1.507 -0.453 1.489) 2.167 1.859 ( -11.624 -5.215 1.696) 12.853 2.384 ( -2.045 -2.916 -1.260) 3.777 2.895 ( -7.692 -4.425 -0.758) 8.907 3.964 ( -1.455 -4.158 2.101) 4.881 4.216 ( -12.875 -3.955 -2.099) 13.631 4.583 ( 0.242 -2.849 0.602) 2.922 4.705 ( -9.451 -0.672 -0.589) 9.494 5.390 ( 11.574 6.970 -0.010) 13.511 5.868 ( -12.607 -8.887 -0.768) 15.444 6.692 ( -0.488 0.481 0.342) 0.766 6.812 ( 4.243 3.446 -0.851) 5.532 7.787 ( 5.737 -3.906 0.870) 6.995 8.078 ( -1.095 4.983 -0.705) 5.151 8.238 ( -1.539 -0.288 0.506) 1.645 11.066 ( 4.117 4.519 -0.140) 6.115 11.328 ( 6.196 -1.224 -0.730) 6.358 11.797 ( -0.995 0.529 0.008) 1.127 11.893 ( -4.575 -3.311 0.897) 5.718 12.219 ( 5.263 2.249 -0.897) 5.793 13.112 ( -5.346 0.391 0.305) 5.368 13.945 ( -3.985 -1.044 -0.131) 4.122 14.187 ( 6.094 1.341 -0.166) 6.242 17.470 ( 2.114 1.040 -0.181) 2.363 18.337 ( -0.102 -9.092 -2.056) 9.322 18.562 ( -3.770 8.628 -0.674) 9.440 19.092 ( -2.414 -3.637 3.237) 5.434 26.839 ( -0.359 -0.638 -0.068) 0.736 28.132 ( -3.629 2.651 0.078) 4.494 28.342 ( -4.882 -7.207 1.608) 8.852 28.733 ( 3.782 2.275 0.052) 4.414 29.097 ( -1.149 -0.708 -0.810) 1.574 31.881 ( -7.193 -3.926 -2.938) 8.705 35.192 ( 3.590 2.224 3.429) 5.440 35.332 ( 7.149 4.011 -2.547) 8.584 ======================= Grid point 323 (85/126) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 1.980 0.654 -0.773) 2.224 1.416 ( -2.278 -1.177 2.036) 3.274 1.536 ( -17.241 -7.908 -0.089) 18.969 2.259 ( -6.536 -6.107 -1.014) 9.002 2.635 ( -15.154 -8.005 -1.817) 17.234 3.758 ( -18.474 -13.867 1.265) 23.134 3.977 ( -4.747 -2.294 1.113) 5.389 4.436 ( -9.740 -3.187 1.396) 10.343 4.653 ( -2.776 2.587 -0.402) 3.815 5.374 ( -14.886 -12.531 -2.213) 19.584 5.788 ( 10.462 7.888 0.833) 13.129 6.671 ( -1.379 -1.294 1.150) 2.213 6.975 ( 9.205 5.158 -0.371) 10.558 7.648 ( -10.712 -9.995 2.806) 14.917 8.210 ( -3.315 2.789 0.134) 4.334 8.265 ( 12.039 6.259 -4.267) 14.224 11.151 ( -0.099 3.457 -0.240) 3.467 11.503 ( 14.608 -0.332 -0.300) 14.614 11.720 ( -5.394 -0.442 -0.696) 5.457 11.892 ( 3.727 2.176 0.557) 4.352 12.313 ( 4.189 -0.015 -0.033) 4.189 12.987 ( -9.277 0.636 -1.297) 9.388 13.909 ( 0.209 0.624 0.245) 0.702 14.284 ( 3.910 0.724 -0.382) 3.994 17.537 ( 4.702 0.706 -0.002) 4.755 18.221 ( -2.909 -8.286 -2.677) 9.181 18.560 ( -5.970 7.155 -1.854) 9.502 18.985 ( -4.631 -5.943 5.629) 9.405 26.822 ( -0.539 -1.005 -0.142) 1.149 28.024 ( -14.873 2.752 2.145) 15.276 28.193 ( 0.867 -10.671 0.920) 10.746 28.834 ( 4.805 2.414 0.983) 5.466 29.069 ( -1.173 0.120 -2.153) 2.455 31.616 ( -16.605 -9.308 -6.720) 20.188 35.336 ( 8.819 5.398 7.370) 12.697 35.550 ( 11.885 6.668 -4.627) 14.392 ======================= Grid point 324 (86/126) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -16.503 -6.485 -0.625) 17.742 1.345 ( -1.639 -1.853 4.632) 5.251 1.392 ( 2.984 1.510 -2.028) 3.911 2.056 ( -8.352 -9.014 -0.380) 12.295 2.237 ( -20.496 -8.541 -3.050) 22.413 3.154 ( -31.364 -18.152 2.044) 36.295 3.907 ( -1.084 -5.280 1.191) 5.520 4.217 ( -12.298 -3.116 1.413) 12.765 4.588 ( -7.018 0.254 -1.736) 7.234 4.988 ( -13.347 -11.031 -0.270) 17.318 6.086 ( 12.896 8.324 -0.190) 15.350 6.636 ( -1.433 -0.320 1.752) 2.286 7.196 ( 10.405 3.727 2.353) 11.300 7.321 ( -13.978 -10.124 1.674) 17.340 8.169 ( -4.493 2.715 -0.262) 5.257 8.504 ( 8.492 2.956 -7.322) 11.596 11.123 ( -4.039 -1.411 -0.148) 4.281 11.676 ( -0.278 2.795 -1.438) 3.156 11.768 ( 13.643 1.843 0.003) 13.767 12.026 ( 7.102 4.886 0.202) 8.623 12.353 ( 1.699 -3.111 0.774) 3.628 12.833 ( -8.742 1.318 -2.923) 9.311 13.967 ( 4.662 3.151 0.599) 5.659 14.338 ( 2.018 0.432 -0.589) 2.146 17.641 ( 7.302 -0.959 0.406) 7.376 18.085 ( -5.762 -3.635 -2.457) 7.243 18.491 ( -7.198 1.615 -2.177) 7.692 18.808 ( -8.665 -7.107 5.832) 12.633 26.803 ( -0.424 -1.002 -0.180) 1.103 27.700 ( -19.040 -6.302 4.134) 20.477 28.146 ( 1.005 -4.343 -0.016) 4.458 28.897 ( -0.417 -0.440 0.308) 0.680 29.109 ( 5.009 4.020 -1.944) 6.710 31.103 ( -28.883 -16.387 -12.458) 35.468 35.602 ( 14.105 8.533 11.239) 19.952 35.861 ( 15.083 8.487 -5.450) 18.145 ======================= Grid point 325 (87/126) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -5.522 0.437 5.808) 8.026 1.261 ( -4.984 -3.535 9.950) 11.677 1.517 ( 7.272 3.597 -4.758) 9.405 1.741 ( -16.117 -12.185 -5.806) 21.022 1.866 ( -12.869 -4.769 -0.429) 13.731 2.365 ( -36.089 -21.101 2.750) 41.896 3.810 ( -3.418 -6.865 -1.017) 7.736 3.957 ( -13.283 -4.204 0.965) 13.965 4.434 ( -7.465 -3.403 -1.897) 8.420 4.709 ( -10.873 -6.049 1.863) 12.581 6.377 ( 11.737 7.387 -0.647) 13.883 6.618 ( -0.504 -0.112 1.405) 1.497 6.981 ( -12.668 -9.185 1.331) 15.704 7.417 ( 8.647 5.691 3.497) 10.927 8.117 ( -3.513 1.094 -0.321) 3.693 8.564 ( -2.427 -3.570 -10.881) 11.706 11.016 ( -4.805 -2.807 -0.215) 5.569 11.744 ( 3.176 4.245 -0.773) 5.358 11.986 ( 9.520 1.067 -0.455) 9.590 12.180 ( 3.077 4.583 -0.580) 5.551 12.285 ( -4.132 -5.632 0.268) 6.991 12.759 ( -1.162 2.281 -2.084) 3.301 14.150 ( 11.191 7.085 1.099) 13.291 14.369 ( 1.307 0.469 -0.604) 1.514 17.760 ( 9.213 -4.356 0.535) 10.205 17.965 ( -7.543 3.335 -0.847) 8.291 18.344 ( -6.919 -6.613 -0.453) 9.581 18.546 ( -14.316 -5.589 1.520) 15.443 26.789 ( -0.224 -0.654 -0.157) 0.709 27.288 ( -18.603 -9.357 3.714) 21.152 28.127 ( 0.130 -1.678 -0.079) 1.685 28.813 ( -7.343 -3.757 -3.855) 9.105 29.290 ( 8.894 5.578 1.357) 10.586 30.309 ( -39.083 -22.297 -16.072) 47.780 35.988 ( 19.080 11.365 12.491) 25.480 36.212 ( 15.014 8.490 -4.456) 17.814 ======================= Grid point 326 (88/126) ======================= q-point: (-0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 4.617 6.412 15.131) 17.070 1.067 ( -10.538 -7.479 15.537) 20.208 1.431 ( -12.200 -4.669 -7.662) 15.144 1.483 ( -23.972 -17.394 -0.831) 29.629 1.549 ( -9.021 -4.543 -0.690) 10.124 1.871 ( 6.886 3.166 -6.165) 9.770 3.673 ( -4.581 -4.631 -1.945) 6.798 3.708 ( -9.552 -4.139 0.134) 10.411 4.310 ( -2.464 -3.797 0.136) 4.529 4.449 ( -13.049 -4.668 0.902) 13.888 6.595 ( 1.452 3.171 -0.104) 3.489 6.652 ( 8.564 2.895 -0.030) 9.040 6.724 ( -8.268 -5.181 -1.266) 9.839 7.601 ( 6.042 5.410 4.452) 9.252 8.077 ( -1.461 -0.379 0.059) 1.511 8.330 ( -15.185 -10.562 -9.173) 20.646 10.931 ( -2.392 -1.408 -0.036) 2.776 11.838 ( 3.107 2.499 0.079) 3.988 11.999 ( -6.970 -5.422 -1.198) 8.911 12.201 ( 2.960 2.357 -0.187) 3.788 12.253 ( 0.434 0.076 -0.186) 0.479 12.801 ( 2.034 1.534 -0.289) 2.564 14.383 ( 1.482 0.909 0.253) 1.757 14.492 ( 15.081 9.009 0.944) 17.592 17.849 ( 6.289 -5.275 -0.393) 8.218 17.915 ( -3.332 5.684 1.614) 6.783 18.143 ( -4.712 -11.714 1.114) 12.676 18.222 ( -17.963 -1.190 -3.360) 18.314 26.782 ( -0.142 -0.188 -0.083) 0.250 26.928 ( -12.194 -6.943 1.259) 14.088 28.116 ( -0.145 -0.500 -0.009) 0.520 28.486 ( -22.741 -12.687 -6.612) 26.867 29.429 ( -6.038 -3.415 4.294) 8.158 29.583 ( -9.666 -5.465 -8.992) 14.288 36.435 ( 17.163 10.074 6.593) 20.965 36.510 ( 10.668 6.079 -1.675) 12.392 ======================= Grid point 328 (89/126) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 2.216 0.018 3.735) 4.343 1.267 ( 8.049 5.623 10.801) 14.597 1.551 ( -5.342 -7.728 -5.026) 10.655 1.602 ( 6.750 16.745 -6.497) 19.188 1.771 ( 4.313 18.577 5.164) 19.758 2.145 ( 20.952 29.628 -0.412) 36.290 3.740 ( 4.231 5.890 0.604) 7.277 3.896 ( 5.053 11.436 0.312) 12.506 4.377 ( 2.527 7.995 0.443) 8.396 4.675 ( 8.033 9.905 -0.977) 12.790 6.457 ( -7.353 -10.750 -0.299) 13.027 6.625 ( 1.529 -1.389 -0.435) 2.111 6.892 ( 7.725 11.251 0.225) 13.650 7.522 ( -1.289 -8.194 1.093) 8.367 8.092 ( -1.577 3.470 0.418) 3.834 8.498 ( 2.823 7.335 -8.800) 11.799 10.988 ( 2.491 4.431 -0.077) 5.084 11.767 ( -3.739 -4.532 -1.157) 5.988 12.079 ( 4.691 -5.494 0.459) 7.238 12.147 ( -6.231 5.339 -0.181) 8.207 12.258 ( 3.022 -1.296 -0.823) 3.389 12.743 ( -4.414 -2.441 -0.370) 5.057 14.226 ( -8.339 -13.025 1.562) 15.544 14.366 ( -1.095 -1.333 -0.149) 1.732 17.789 ( 5.674 -6.133 -0.789) 8.393 18.038 ( -8.093 12.829 2.997) 15.462 18.126 ( 6.764 -1.299 0.306) 6.894 18.553 ( 10.890 15.271 -3.621) 19.103 26.819 ( 1.721 2.588 -0.267) 3.120 27.157 ( 9.332 13.521 1.466) 16.494 28.134 ( 1.678 1.314 0.313) 2.154 28.762 ( 5.965 10.935 -5.347) 13.555 29.350 ( -5.178 -8.949 2.162) 10.563 30.047 ( 20.031 38.618 -13.868) 45.661 36.108 ( -11.824 -19.791 11.905) 25.947 36.300 ( -8.198 -14.278 -3.829) 16.903 ======================= Grid point 329 (90/126) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 8.070 8.019 -5.262) 12.534 1.373 ( -0.377 -2.217 1.147) 2.525 1.408 ( -1.109 0.414 0.958) 1.522 1.920 ( 9.323 9.490 5.041) 14.226 2.097 ( 9.609 26.961 0.603) 28.628 2.855 ( 28.445 22.506 -0.850) 36.282 3.918 ( 7.155 7.398 2.329) 10.552 4.080 ( 6.151 6.925 -0.005) 9.262 4.525 ( 3.425 9.715 -0.431) 10.310 4.910 ( 9.613 8.187 -0.944) 12.662 6.203 ( -10.310 -9.431 -0.405) 13.979 6.627 ( 1.405 -2.008 0.199) 2.459 7.155 ( 9.371 6.103 1.103) 11.238 7.405 ( -3.172 -4.481 -1.714) 5.751 8.108 ( 0.049 3.198 -0.230) 3.206 8.517 ( -3.650 -2.073 -4.360) 6.052 11.089 ( 3.133 4.587 0.084) 5.556 11.661 ( -2.113 -3.986 -2.154) 5.000 11.987 ( -7.521 -1.184 -0.615) 7.639 12.074 ( -6.162 -3.218 0.887) 7.008 12.373 ( 8.587 0.158 -0.482) 8.602 12.618 ( -4.340 -4.573 1.948) 6.599 14.020 ( -4.900 -5.080 0.341) 7.066 14.334 ( -0.756 -1.982 0.168) 2.128 17.801 ( -2.116 -3.959 -1.565) 4.754 18.036 ( -1.540 12.394 0.758) 12.512 18.257 ( 9.220 -4.204 1.489) 10.242 18.857 ( 8.931 10.490 -2.304) 13.968 26.868 ( -1.530 6.787 0.026) 6.957 27.471 ( 15.589 4.309 0.185) 16.175 28.198 ( 1.951 4.935 0.877) 5.378 28.912 ( 3.882 4.274 -2.720) 6.382 29.149 ( -7.872 -7.238 0.237) 10.696 30.803 ( 24.353 29.392 -11.403) 39.837 35.723 ( -12.311 -13.706 12.507) 22.268 35.979 ( -11.915 -13.875 -5.100) 18.986 ======================= Grid point 330 (91/126) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.665 -1.773 -0.195) 1.904 1.418 ( 9.556 9.201 -3.084) 13.619 1.461 ( 2.768 3.281 -0.727) 4.354 2.118 ( 5.672 6.368 7.454) 11.326 2.546 ( 9.983 25.411 0.401) 27.305 3.516 ( 26.245 14.509 -1.625) 30.033 4.065 ( -0.235 9.037 1.049) 9.101 4.271 ( 11.049 1.660 -0.292) 11.177 4.655 ( 0.670 8.253 -0.684) 8.308 5.199 ( 14.525 9.335 0.102) 17.267 5.923 ( -11.584 -8.775 -1.096) 14.573 6.653 ( 3.044 -0.323 0.403) 3.087 7.108 ( -10.632 -5.161 -0.217) 11.820 7.519 ( 13.686 0.873 -0.238) 13.715 8.158 ( 1.805 2.793 -0.304) 3.339 8.351 ( -10.146 -5.928 -1.456) 11.841 11.147 ( -0.569 1.714 0.129) 1.810 11.655 ( 3.105 0.305 -1.933) 3.670 11.808 ( -14.777 3.538 -1.351) 15.254 11.936 ( -3.389 -3.845 0.118) 5.127 12.395 ( -6.717 0.563 0.457) 6.756 12.642 ( 15.292 -9.473 3.341) 18.296 13.936 ( -1.924 -0.981 -0.513) 2.219 14.298 ( -0.994 -2.567 0.198) 2.760 17.675 ( -7.789 -0.897 -1.200) 7.932 18.190 ( 3.864 10.559 0.394) 11.250 18.352 ( 7.820 -5.377 1.011) 9.543 19.057 ( 4.952 5.611 -1.594) 7.652 26.902 ( -3.520 8.998 0.196) 9.664 27.752 ( 16.019 -2.854 -0.574) 16.281 28.288 ( 1.272 7.031 1.094) 7.228 28.957 ( -7.184 -4.751 0.059) 8.613 29.004 ( 2.851 2.758 -1.969) 4.428 31.399 ( 18.051 16.734 -6.117) 25.363 35.432 ( -8.682 -8.405 9.124) 15.142 35.646 ( -11.641 -11.359 -4.635) 16.912 ======================= Grid point 331 (92/126) ======================= q-point: ( 0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.253 -1.764 3.866) 4.257 1.494 ( -0.311 3.558 -0.222) 3.579 1.749 ( 13.796 7.036 -4.671) 16.176 2.251 ( 3.827 4.023 8.321) 10.004 2.902 ( 4.143 20.803 0.004) 21.212 4.007 ( 15.670 7.689 -0.473) 17.461 4.114 ( -1.740 7.921 -2.588) 8.512 4.485 ( 12.732 1.503 0.110) 12.821 4.706 ( -3.497 7.275 -0.491) 8.087 5.542 ( 3.996 4.314 -1.870) 6.170 5.675 ( 2.345 -3.906 0.223) 4.562 6.696 ( 0.096 -1.029 0.306) 1.078 6.861 ( -8.509 -5.232 -0.419) 9.997 7.755 ( 14.217 -2.304 0.186) 14.404 8.062 ( -12.481 -7.530 1.257) 14.631 8.232 ( 1.257 2.234 -1.017) 2.758 11.121 ( -3.523 1.609 -0.122) 3.875 11.543 ( -14.768 3.116 -0.402) 15.099 11.772 ( 3.054 2.025 -1.421) 3.930 11.905 ( 1.594 2.003 -1.457) 2.945 12.263 ( -6.733 -2.584 1.808) 7.435 12.830 ( 16.183 -9.519 2.579) 18.951 13.924 ( 0.595 0.839 -0.549) 1.166 14.240 ( -2.774 -3.065 0.008) 4.134 17.547 ( -5.598 -0.815 -1.055) 5.755 18.307 ( 1.548 1.518 0.966) 2.373 18.461 ( 6.445 4.021 0.255) 7.601 19.144 ( 1.386 1.338 -1.083) 2.210 26.926 ( -4.477 9.571 0.203) 10.568 27.962 ( 12.153 -3.619 -0.488) 12.690 28.370 ( 1.373 4.440 0.696) 4.700 28.810 ( -5.883 -2.080 -0.365) 6.251 29.066 ( 2.236 0.799 -0.886) 2.534 31.762 ( 10.524 7.635 -2.599) 13.259 35.257 ( -4.360 -4.569 4.562) 7.791 35.374 ( -8.492 -7.697 -2.595) 11.752 ======================= Grid point 332 (93/126) ======================= q-point: ( 0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 1.226 -1.161 4.229) 4.553 1.512 ( -1.497 3.132 -0.191) 3.477 1.973 ( 6.094 0.991 -1.202) 6.290 2.337 ( 2.908 2.274 5.952) 7.004 3.089 ( -3.575 15.618 -0.234) 16.024 4.075 ( -4.023 3.325 -0.179) 5.222 4.295 ( 7.591 2.784 -3.373) 8.761 4.671 ( -5.966 5.865 -0.084) 8.367 4.755 ( 10.953 4.701 0.693) 11.939 5.321 ( -11.255 -4.365 -4.468) 12.872 5.961 ( 10.607 3.204 1.550) 11.188 6.597 ( 1.819 -9.373 0.491) 9.560 6.797 ( -2.088 2.257 -1.011) 3.237 7.774 ( -10.107 -5.508 0.234) 11.512 7.974 ( 12.125 -2.019 0.907) 12.325 8.253 ( -0.148 -1.295 0.408) 1.366 11.078 ( -4.976 5.878 -0.059) 7.702 11.371 ( -8.227 2.830 -1.001) 8.758 11.804 ( -0.130 1.411 0.103) 1.421 12.009 ( 4.630 3.425 -2.203) 6.167 12.123 ( -5.503 -3.158 2.060) 6.670 12.984 ( 12.385 -9.789 1.944) 15.906 13.975 ( 3.964 1.356 -0.334) 4.202 14.140 ( -5.020 -3.127 -0.229) 5.918 17.476 ( -2.063 -0.163 -0.989) 2.293 18.301 ( 0.555 -4.993 0.330) 5.035 18.617 ( 2.177 10.890 0.350) 11.111 19.140 ( -0.742 -2.550 -0.102) 2.658 26.937 ( -5.147 9.300 0.131) 10.631 28.093 ( 5.911 -1.456 -0.132) 6.089 28.415 ( 1.396 -1.022 0.405) 1.777 28.718 ( -3.469 0.507 -0.293) 3.518 29.094 ( 1.237 -1.191 -0.470) 1.780 31.928 ( 3.853 1.812 -1.297) 4.451 35.181 ( -1.497 -2.510 -0.350) 2.944 35.221 ( -2.047 -2.902 0.971) 3.681 ======================= Grid point 333 (94/126) ======================= q-point: (-0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 1.719 -0.973 3.133) 3.704 1.504 ( -2.653 2.505 0.023) 3.648 1.960 ( -5.128 -4.333 1.996) 7.004 2.383 ( 0.314 -0.474 0.945) 1.103 3.090 ( -11.363 10.823 -0.293) 15.695 4.015 ( -5.603 0.787 0.477) 5.678 4.346 ( -3.953 -2.168 -2.289) 5.056 4.597 ( -4.802 1.279 -0.315) 4.979 4.842 ( -4.892 1.388 0.057) 5.085 5.293 ( 7.121 7.456 -1.840) 10.474 5.936 ( -7.157 -10.229 0.063) 12.485 6.667 ( 7.662 -3.199 0.037) 8.303 6.783 ( -0.532 3.756 -0.789) 3.874 7.643 ( 2.065 -5.824 0.672) 6.216 8.129 ( 2.790 2.967 0.485) 4.102 8.209 ( 1.314 -4.602 0.524) 4.815 11.106 ( -0.714 11.009 0.059) 11.032 11.303 ( -2.679 1.270 -1.216) 3.205 11.816 ( -0.209 1.801 0.377) 1.852 11.960 ( -6.262 -2.921 0.567) 6.933 12.152 ( 5.016 2.011 -0.563) 5.434 13.048 ( 6.517 -10.434 1.121) 12.353 14.015 ( -4.900 -1.822 -0.481) 5.250 14.084 ( 5.903 0.612 -0.086) 5.935 17.472 ( 0.565 1.583 -1.043) 1.978 18.243 ( -0.343 -6.490 -0.340) 6.508 18.729 ( -2.653 11.407 -0.417) 11.718 19.080 ( -1.323 -5.361 1.973) 5.864 26.933 ( -5.706 8.643 0.002) 10.356 28.136 ( 1.425 -2.389 0.073) 2.783 28.372 ( -3.313 -4.448 1.008) 5.637 28.715 ( 1.046 2.867 -0.277) 3.064 29.090 ( 0.430 -1.944 -0.598) 2.079 31.937 ( -2.749 -2.057 -1.791) 3.872 35.156 ( 1.552 -0.367 1.530) 2.210 35.249 ( 5.154 0.833 -1.092) 5.334 ======================= Grid point 334 (95/126) ======================= q-point: (-0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 2.329 -0.919 1.478) 2.907 1.470 ( -3.739 1.568 0.097) 4.055 1.739 ( -13.453 -6.547 0.811) 14.983 2.319 ( -5.283 -3.494 -0.753) 6.378 2.920 ( -18.538 6.947 -0.681) 19.809 3.869 ( -10.421 -6.275 1.586) 12.268 4.146 ( -12.524 -2.112 -1.100) 12.749 4.512 ( -4.522 -4.691 1.006) 6.593 4.796 ( -5.786 9.345 0.157) 10.993 5.448 ( -4.311 -5.934 -2.407) 7.720 5.712 ( 2.171 -1.983 0.462) 2.977 6.671 ( -1.179 -1.756 0.446) 2.161 6.905 ( 6.365 6.162 -0.832) 8.898 7.621 ( 0.655 -12.213 2.272) 12.440 8.164 ( 4.718 4.067 -1.915) 6.516 8.257 ( 1.779 1.194 0.233) 2.155 11.234 ( -2.228 9.507 -0.140) 9.766 11.321 ( 7.073 2.723 -0.645) 7.607 11.816 ( -4.647 1.302 -0.164) 4.829 11.862 ( 0.659 0.383 0.259) 0.805 12.242 ( 4.134 -0.126 0.070) 4.136 13.002 ( 1.068 -11.452 -0.134) 11.502 13.936 ( -2.607 0.220 -0.266) 2.629 14.195 ( 6.053 -0.176 -0.192) 6.058 17.519 ( 1.656 3.734 -1.020) 4.210 18.171 ( -0.842 -5.556 -0.849) 5.683 18.729 ( -6.849 4.247 -1.593) 8.215 19.005 ( -2.309 -2.871 4.403) 5.741 26.914 ( -5.934 7.842 -0.176) 9.835 28.075 ( -1.321 -12.893 0.897) 12.992 28.251 ( -7.673 2.801 1.484) 8.302 28.790 ( 3.599 3.219 0.176) 4.832 29.076 ( -0.164 -1.138 -1.495) 1.886 31.786 ( -11.066 -5.228 -4.124) 12.915 35.237 ( 6.792 2.159 4.959) 8.683 35.402 ( 10.466 2.806 -3.490) 11.384 ======================= Grid point 335 (96/126) ======================= q-point: (-0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 2.956 -1.965 -0.241) 3.558 1.360 ( -12.652 -3.548 -3.436) 13.582 1.457 ( -8.373 0.428 3.216) 8.980 2.151 ( -9.240 -4.279 -0.283) 10.186 2.599 ( -24.490 3.497 -1.329) 24.775 3.466 ( -23.698 -14.507 1.383) 27.820 3.972 ( -8.213 1.714 1.275) 8.486 4.353 ( -8.119 -5.014 1.664) 9.687 4.771 ( -8.802 7.285 -0.573) 11.440 5.109 ( -13.799 -12.276 -1.804) 18.557 5.937 ( 12.913 6.348 -0.164) 14.390 6.636 ( -0.406 -2.211 1.697) 2.817 7.094 ( 7.309 7.414 -0.425) 10.420 7.416 ( -8.229 -11.361 2.429) 14.237 8.253 ( -2.444 -0.092 -0.499) 2.496 8.368 ( 10.425 4.223 -4.143) 11.987 11.203 ( -4.994 0.667 0.041) 5.038 11.542 ( 9.881 3.568 -1.075) 10.561 11.780 ( -1.600 7.395 -0.541) 7.585 11.948 ( 6.289 3.254 0.301) 7.087 12.287 ( 2.518 -2.403 0.761) 3.563 12.877 ( -1.727 -11.151 -1.720) 11.414 13.935 ( 1.472 1.594 0.097) 2.172 14.280 ( 4.291 -0.605 -0.330) 4.346 17.595 ( 1.870 5.234 -0.736) 5.607 18.114 ( -1.239 -1.899 -1.028) 2.490 18.583 ( -7.892 -7.235 0.027) 10.707 18.930 ( -6.917 2.276 3.457) 8.060 26.887 ( -5.594 6.916 -0.359) 8.903 27.827 ( -8.876 -16.886 2.766) 19.276 28.190 ( -5.295 5.670 0.915) 7.812 28.886 ( 3.134 2.759 1.063) 4.309 29.072 ( 1.336 -0.086 -2.902) 3.196 31.435 ( -22.681 -8.110 -8.526) 25.552 35.429 ( 12.264 3.613 8.874) 15.563 35.657 ( 15.151 3.841 -5.037) 16.422 ======================= Grid point 336 (97/126) ======================= q-point: (-0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -12.594 -1.349 -2.236) 12.862 1.344 ( -2.717 1.407 4.329) 5.301 1.418 ( 3.813 0.617 -1.073) 4.009 1.919 ( -13.612 -3.645 -0.223) 14.093 2.175 ( -25.149 -0.748 -1.376) 25.198 2.824 ( -34.246 -11.414 1.814) 36.143 3.858 ( -7.060 0.712 1.078) 7.177 4.137 ( -11.271 -4.550 1.650) 12.266 4.592 ( -12.927 -2.494 -1.642) 13.268 4.852 ( -9.807 -0.689 -0.191) 9.834 6.215 ( 13.285 3.687 -0.586) 13.800 6.617 ( 0.249 -1.220 1.784) 2.175 7.127 ( -11.421 -3.505 3.102) 12.343 7.331 ( 7.655 5.763 -1.313) 9.672 8.180 ( -3.831 -2.676 -0.147) 4.675 8.531 ( 4.458 0.348 -7.092) 8.384 11.097 ( -6.435 -1.046 0.036) 6.519 11.675 ( 6.140 -1.235 -2.282) 6.666 11.916 ( 5.036 9.380 0.626) 10.665 12.123 ( 7.750 4.289 0.232) 8.860 12.273 ( -0.984 -3.432 0.714) 3.641 12.755 ( -0.245 -7.937 -2.333) 8.276 14.023 ( 7.247 1.644 0.489) 7.447 14.333 ( 2.648 -0.454 -0.335) 2.707 17.684 ( 2.037 5.954 -0.464) 6.310 18.096 ( -2.168 4.299 -0.399) 4.831 18.332 ( -7.836 -15.171 2.344) 17.235 18.793 ( -12.676 3.495 0.048) 13.149 26.859 ( -4.680 4.974 -0.471) 6.846 27.479 ( -14.279 -11.197 3.256) 18.435 28.161 ( -3.562 3.444 0.650) 4.997 28.896 ( -3.995 0.358 -1.543) 4.297 29.168 ( 8.719 1.343 -0.818) 8.860 30.834 ( -37.133 -9.003 -13.690) 40.587 35.728 ( 18.258 3.447 12.146) 22.198 35.981 ( 17.769 3.195 -5.238) 18.799 ======================= Grid point 341 (98/126) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.126 3.668 -2.857) 4.652 1.360 ( 5.549 6.092 -1.909) 8.459 1.468 ( 2.386 4.138 1.559) 5.024 2.101 ( 4.194 8.523 3.282) 10.050 2.655 ( 13.120 27.107 0.108) 30.115 3.300 ( 15.291 22.434 -0.298) 27.151 4.046 ( 9.370 5.634 1.846) 11.088 4.247 ( -0.773 8.797 0.501) 8.845 4.776 ( 0.211 15.086 -1.300) 15.143 5.046 ( 10.574 5.355 -0.202) 11.855 5.999 ( -7.473 -11.274 -1.100) 13.570 6.611 ( 1.095 0.750 1.870) 2.293 7.222 ( -6.859 -4.111 -1.323) 8.106 7.296 ( 9.424 -0.282 1.531) 9.552 8.205 ( -1.486 4.899 -0.932) 5.203 8.412 ( -5.006 -8.189 -2.617) 9.949 11.184 ( 0.358 4.528 0.184) 4.546 11.603 ( 1.836 -2.024 -2.212) 3.516 11.922 ( 1.276 -3.662 0.334) 3.892 12.014 ( -4.380 -5.095 -0.371) 6.729 12.295 ( 7.398 -5.472 1.406) 9.308 12.609 ( -13.474 3.231 -0.197) 13.858 13.953 ( -1.131 -1.752 -0.256) 2.101 14.280 ( -1.075 -3.441 -0.020) 3.605 17.703 ( 1.032 -5.516 -1.713) 5.867 18.162 ( 6.580 -1.469 0.318) 6.749 18.358 ( -5.310 14.832 1.925) 15.871 19.007 ( 6.991 4.729 0.034) 8.440 27.009 ( 5.019 6.468 -0.342) 8.194 27.582 ( 1.286 7.855 1.128) 8.039 28.283 ( 5.248 3.329 1.427) 6.376 28.941 ( 1.308 -2.978 1.322) 3.510 29.049 ( -3.520 -1.023 -3.445) 5.030 31.334 ( 11.917 22.967 -8.125) 27.120 35.467 ( -6.705 -11.677 9.526) 16.494 35.694 ( -8.562 -14.224 -4.989) 17.336 ======================= Grid point 342 (99/126) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -1.055 -1.403 3.289) 3.728 1.536 ( 0.853 4.701 -0.107) 4.779 1.614 ( 10.421 9.395 -4.758) 14.816 2.231 ( 3.216 5.168 5.638) 8.297 3.094 ( 5.150 27.995 0.188) 28.466 3.792 ( 19.756 13.510 -1.153) 23.961 4.222 ( 1.954 5.754 1.644) 6.295 4.314 ( 4.645 3.004 -1.631) 5.767 4.887 ( -4.539 15.074 -1.035) 15.776 5.333 ( 17.623 3.696 0.995) 18.034 5.740 ( -10.320 -9.779 -2.716) 14.474 6.668 ( 2.423 0.707 1.236) 2.810 6.996 ( -11.887 -4.864 -0.443) 12.851 7.462 ( 13.016 -4.665 0.754) 13.847 8.184 ( -9.315 -6.578 1.417) 11.492 8.245 ( -0.683 0.150 -2.295) 2.399 11.199 ( -2.038 3.855 -0.282) 4.370 11.691 ( 5.291 2.784 -0.870) 6.042 11.840 ( -8.935 -0.942 -0.419) 8.994 11.929 ( -2.405 3.513 -1.171) 4.415 12.389 ( -4.340 -6.173 2.700) 8.015 12.421 ( 8.484 -6.650 0.446) 10.789 13.935 ( -0.557 0.708 -0.495) 1.028 14.228 ( -0.661 -4.317 0.011) 4.367 17.603 ( -4.329 -5.954 -1.831) 7.586 18.285 ( 6.028 -0.895 1.112) 6.195 18.445 ( 0.422 13.728 0.806) 13.759 19.120 ( 2.989 0.852 -0.119) 3.110 27.129 ( -2.652 12.938 0.105) 13.208 27.719 ( 10.282 0.176 -0.113) 10.284 28.374 ( 2.055 1.681 1.104) 2.876 28.870 ( -3.450 -3.559 0.416) 4.974 29.043 ( 0.726 0.603 -2.031) 2.240 31.684 ( 8.892 11.588 -3.685) 15.064 35.277 ( -4.521 -7.018 5.688) 10.102 35.427 ( -7.832 -10.199 -3.470) 13.319 ======================= Grid point 343 (100/126) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.484 -1.265 5.234) 5.407 1.580 ( -1.358 5.162 -0.541) 5.365 1.856 ( 8.956 3.326 -2.850) 9.969 2.318 ( 2.261 3.149 6.164) 7.281 3.375 ( -3.600 25.596 -0.311) 25.849 4.135 ( 5.622 4.673 0.662) 7.341 4.247 ( -0.750 5.188 -3.203) 6.143 4.524 ( 15.456 2.135 -0.149) 15.603 4.923 ( -8.165 14.143 -0.321) 16.333 5.465 ( -10.959 -6.977 -4.600) 13.782 5.709 ( 21.001 2.666 1.539) 21.225 6.535 ( -8.487 -14.727 0.546) 17.006 6.886 ( -3.175 7.614 0.006) 8.250 7.668 ( 16.850 -6.031 0.577) 17.906 7.906 ( -11.968 -7.785 0.507) 14.286 8.245 ( -0.317 -1.509 0.127) 1.547 11.221 ( -2.234 8.467 -0.297) 8.762 11.616 ( -14.298 4.187 -0.667) 14.914 11.817 ( 1.550 2.686 -0.514) 3.143 11.973 ( 2.910 4.019 -1.239) 5.114 12.204 ( -7.849 -3.394 2.149) 8.818 12.581 ( 18.102 -14.782 1.446) 23.415 13.949 ( 0.983 1.505 -0.324) 1.826 14.163 ( -2.055 -4.323 -0.163) 4.789 17.484 ( -2.145 -5.431 -1.860) 6.129 18.314 ( -2.266 1.992 1.288) 3.281 18.638 ( 6.391 10.412 0.502) 12.228 19.129 ( -0.758 -2.644 -0.077) 2.752 27.180 ( -7.442 15.366 0.208) 17.075 27.916 ( 12.110 -1.200 -0.280) 12.172 28.386 ( -0.063 -2.479 0.573) 2.545 28.789 ( -3.698 0.108 -0.227) 3.707 29.052 ( 1.229 -2.408 -0.844) 2.832 31.877 ( 4.908 4.046 -1.492) 6.533 35.173 ( -1.481 -3.735 1.785) 4.396 35.237 ( -4.589 -5.847 -1.030) 7.504 ======================= Grid point 344 (101/126) ======================= q-point: ( 0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 1.400 -1.279 5.223) 5.557 1.592 ( -3.102 4.831 -0.845) 5.803 1.951 ( 1.494 -3.048 0.387) 3.417 2.372 ( 1.005 1.334 3.674) 4.036 3.472 ( -12.476 21.768 -0.182) 25.091 4.130 ( -5.041 2.008 0.219) 5.430 4.328 ( 3.086 0.798 -3.355) 4.628 4.688 ( -1.818 -5.510 -0.418) 5.817 4.942 ( -2.549 14.223 0.790) 14.471 5.307 ( -1.870 2.867 -4.229) 5.441 5.933 ( -1.831 -7.425 0.703) 7.680 6.373 ( 13.997 -10.971 0.469) 17.791 6.903 ( -5.124 8.682 -0.621) 10.100 7.624 ( -7.088 -9.095 1.092) 11.582 7.938 ( 15.880 -3.210 -0.025) 16.201 8.199 ( -2.042 -2.822 0.930) 3.605 11.292 ( -3.270 15.265 0.125) 15.612 11.433 ( -10.506 3.328 -1.246) 11.091 11.843 ( -0.671 1.995 0.123) 2.108 12.034 ( -4.044 -1.437 0.119) 4.293 12.094 ( 2.385 0.516 0.505) 2.492 12.717 ( 15.039 -16.560 1.260) 22.405 14.001 ( 3.272 1.214 -0.197) 3.495 14.076 ( -3.366 -2.914 -0.311) 4.463 17.438 ( 2.143 -3.555 -1.995) 4.606 18.271 ( -4.860 2.436 0.946) 5.518 18.833 ( 3.842 9.804 0.551) 10.545 19.050 ( -2.921 -6.312 0.545) 6.976 27.186 ( -9.256 15.101 0.073) 17.712 28.058 ( 4.934 -3.164 -0.005) 5.861 28.342 ( 0.595 -5.058 0.499) 5.117 28.754 ( -1.894 2.774 -0.376) 3.380 29.045 ( 1.659 -3.436 -0.516) 3.850 31.941 ( 0.504 -0.281 -1.067) 1.213 35.132 ( -0.155 -2.004 -0.005) 2.010 35.179 ( 2.317 -1.562 0.223) 2.803 ======================= Grid point 346 (102/126) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 1.883 -1.444 4.045) 4.690 1.570 ( -4.485 3.865 -1.037) 6.011 1.855 ( -7.104 -5.613 0.747) 9.085 2.358 ( -2.635 -1.720 1.554) 3.510 3.382 ( -20.003 16.649 -0.061) 26.025 4.023 ( -10.164 -0.161 0.225) 10.168 4.293 ( -6.883 -2.425 -1.997) 7.566 4.522 ( -3.838 -7.137 -0.023) 8.104 5.015 ( -6.003 14.123 0.842) 15.368 5.433 ( 4.715 4.304 -3.153) 7.120 5.655 ( -6.397 -15.841 -0.156) 17.085 6.604 ( 11.965 -2.742 0.333) 12.280 6.907 ( -2.170 8.495 -0.516) 8.783 7.476 ( 0.393 -10.283 1.265) 10.368 8.113 ( 7.235 -4.625 0.437) 8.598 8.186 ( 3.515 2.568 -0.007) 4.353 11.320 ( -4.853 1.134 -1.105) 5.105 11.418 ( -2.400 18.249 0.490) 18.413 11.847 ( -0.020 0.792 0.277) 0.839 11.928 ( -5.317 0.389 -0.239) 5.337 12.166 ( 4.194 -0.714 0.261) 4.262 12.754 ( 9.380 -18.137 0.738) 20.432 13.984 ( -2.969 -1.265 -0.496) 3.265 14.100 ( 4.987 1.270 -0.038) 5.147 17.482 ( 5.127 -0.623 -2.108) 5.578 18.207 ( -5.350 2.886 0.642) 6.113 18.861 ( -7.478 -3.506 -0.462) 8.272 19.001 ( 2.466 2.694 2.372) 4.355 27.163 ( -9.992 13.481 -0.169) 16.781 27.988 ( -2.885 -12.152 0.514) 12.500 28.334 ( 0.053 0.664 0.805) 1.044 28.779 ( 1.198 3.179 -0.149) 3.401 29.047 ( 1.779 -2.065 -0.972) 2.894 31.888 ( -5.368 -2.462 -2.019) 6.241 35.155 ( 3.961 0.208 2.558) 4.720 35.259 ( 7.541 0.176 -1.988) 7.800 ======================= Grid point 347 (103/126) ======================= q-point: (-0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 2.401 -1.758 2.367) 3.802 1.512 ( -6.348 2.576 -1.993) 7.135 1.626 ( -12.228 -4.154 -0.542) 12.925 2.255 ( -6.454 -2.535 1.821) 7.169 3.113 ( -26.239 8.688 -0.192) 27.641 3.729 ( -19.822 -5.269 -0.026) 20.510 4.153 ( -8.260 2.867 0.606) 8.764 4.402 ( -4.150 -6.104 0.503) 7.398 5.017 ( -10.000 9.614 0.610) 13.885 5.206 ( -11.389 -11.561 -2.034) 16.355 5.759 ( 13.119 2.306 -1.336) 13.387 6.648 ( -2.267 -0.108 1.201) 2.568 7.044 ( 7.954 5.858 -1.237) 9.956 7.381 ( -1.279 -8.394 2.207) 8.773 8.228 ( 8.700 1.645 -1.882) 9.052 8.255 ( 1.971 -1.351 0.270) 2.405 11.258 ( -2.349 -2.063 -0.540) 3.173 11.549 ( -1.515 12.070 0.007) 12.164 11.873 ( 0.918 1.572 0.752) 1.970 11.898 ( 0.239 6.221 -1.540) 6.413 12.221 ( 3.359 -0.671 0.901) 3.542 12.694 ( 5.074 -17.651 0.027) 18.366 13.944 ( -0.990 0.150 -0.412) 1.083 14.198 ( 4.893 0.921 -0.063) 4.979 17.587 ( 5.519 2.321 -1.994) 6.311 18.158 ( -4.072 4.324 0.425) 5.955 18.641 ( -9.152 -10.278 0.895) 13.791 19.049 ( -2.274 4.756 1.521) 5.487 27.109 ( -9.749 9.546 -0.409) 13.650 27.780 ( -5.221 -13.513 1.084) 14.527 28.328 ( -3.466 3.605 1.240) 5.153 28.851 ( 3.717 2.583 0.548) 4.559 29.055 ( 0.504 -1.064 -2.143) 2.445 31.697 ( -14.044 -3.061 -4.430) 15.041 35.270 ( 8.629 1.086 5.775) 10.440 35.437 ( 12.556 0.685 -3.785) 13.132 ======================= Grid point 351 (104/126) ======================= q-point: (-0.08 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -1.396 -1.109 9.023) 9.197 1.283 ( -7.442 4.928 10.420) 13.720 1.558 ( 0.414 -0.989 -6.022) 6.117 1.611 ( -3.081 13.405 -6.593) 15.253 1.772 ( -3.864 15.639 4.674) 16.774 2.151 ( -20.828 29.780 -0.678) 36.347 3.751 ( -0.683 8.679 -0.421) 8.716 3.913 ( -9.478 9.848 -1.057) 13.709 4.402 ( -3.426 6.443 -1.397) 7.430 4.632 ( -6.759 10.604 2.479) 12.817 6.463 ( 5.680 -11.368 -0.910) 12.740 6.621 ( -1.534 -0.408 -0.244) 1.606 6.905 ( -6.940 12.111 -0.571) 13.971 7.464 ( 5.051 -7.899 5.563) 10.902 8.092 ( -1.970 0.706 0.223) 2.104 8.528 ( -1.918 8.352 -10.706) 13.713 10.990 ( -2.652 4.554 -0.254) 5.276 11.755 ( 2.449 -5.993 -0.144) 6.476 12.095 ( 7.565 -0.542 -0.721) 7.619 12.166 ( -8.859 0.972 -2.045) 9.144 12.244 ( 2.552 1.096 0.503) 2.823 12.728 ( 3.207 -4.461 1.027) 5.590 14.218 ( 7.870 -13.207 2.148) 15.523 14.368 ( 1.368 -1.188 -0.272) 1.832 17.786 ( 6.488 0.354 -0.294) 6.504 18.098 ( -15.470 -4.122 -1.038) 16.044 18.184 ( 2.492 8.633 -6.606) 11.153 18.470 ( -8.887 16.902 4.155) 19.542 26.816 ( -0.745 3.062 -0.055) 3.151 27.163 ( -11.242 12.612 1.067) 16.928 28.142 ( -0.620 2.462 -0.288) 2.555 28.755 ( -6.136 10.671 -4.898) 13.248 29.344 ( 5.374 -9.384 2.616) 11.125 30.044 ( -20.080 38.436 -13.488) 45.414 36.102 ( 11.994 -20.084 12.155) 26.362 36.303 ( 8.094 -14.114 -3.803) 16.709 ======================= Grid point 355 (105/126) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -1.265 -0.845 5.118) 5.339 1.629 ( 3.016 4.252 -0.624) 5.251 1.779 ( 3.713 6.784 -2.110) 8.017 2.327 ( 1.103 4.327 3.791) 5.857 3.591 ( 10.676 20.530 -0.152) 23.140 4.039 ( 10.721 10.520 -0.607) 15.033 4.301 ( 6.453 3.932 0.144) 7.558 4.382 ( -3.841 3.185 -1.314) 5.160 5.235 ( -6.271 19.084 -0.707) 20.100 5.351 ( 17.192 -1.158 0.844) 17.252 5.541 ( -6.418 -9.756 -3.653) 12.236 6.560 ( -9.568 -12.832 0.592) 16.018 7.019 ( 1.122 7.163 0.479) 7.266 7.378 ( 6.052 -2.958 0.497) 6.755 8.021 ( -10.665 -8.341 0.554) 13.550 8.227 ( 0.080 -2.821 -0.110) 2.824 11.307 ( 1.349 7.155 -0.722) 7.317 11.735 ( 9.648 0.334 0.661) 9.677 11.833 ( -2.712 0.757 -0.601) 2.879 11.991 ( 3.575 1.529 -0.783) 3.966 12.170 ( 3.570 -8.722 1.227) 9.503 12.408 ( -15.926 -0.499 0.872) 15.958 13.961 ( -0.173 1.847 -0.399) 1.898 14.135 ( -0.410 -4.768 -0.060) 4.786 17.469 ( -3.866 -6.645 -2.364) 8.044 18.305 ( 6.848 2.393 1.369) 7.382 18.705 ( -2.086 12.015 0.721) 12.216 19.092 ( 2.024 -3.583 0.543) 4.151 27.368 ( 7.462 9.847 -0.148) 12.356 27.775 ( -0.287 5.821 0.305) 5.836 28.361 ( 0.012 -2.903 0.687) 2.984 28.821 ( -0.233 -1.319 0.027) 1.339 29.023 ( -1.229 -2.278 -1.223) 2.863 31.857 ( 3.052 5.977 -1.857) 6.963 35.162 ( -1.957 -4.396 2.723) 5.529 35.255 ( -4.723 -6.981 -2.000) 8.663 ======================= Grid point 356 (106/126) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.190 -0.793 6.539) 6.590 1.693 ( -1.573 5.959 -0.607) 6.193 1.872 ( 3.737 -1.603 -0.836) 4.151 2.379 ( 0.695 2.668 4.002) 4.859 3.862 ( -3.906 21.781 -0.554) 22.135 4.186 ( 0.756 0.792 -0.077) 1.098 4.329 ( -2.634 3.616 -2.416) 5.085 4.531 ( 12.034 -2.550 -0.407) 12.308 5.224 ( -11.615 11.381 -0.991) 16.292 5.373 ( -2.887 2.872 -3.610) 5.442 5.729 ( 21.084 -0.479 0.917) 21.109 6.174 ( -10.914 -20.727 0.423) 23.429 7.116 ( -5.017 15.007 0.175) 15.824 7.539 ( 15.009 -6.061 0.665) 16.200 7.734 ( -8.679 -10.758 0.171) 13.824 8.194 ( -0.584 -2.501 0.830) 2.699 11.442 ( 2.027 12.565 -0.551) 12.740 11.713 ( -12.105 5.977 -0.799) 13.524 11.872 ( 0.368 2.580 0.366) 2.632 12.035 ( 0.921 1.554 -0.263) 1.826 12.122 ( -4.268 -5.078 1.820) 6.879 12.276 ( 12.655 -14.884 0.477) 19.542 13.983 ( 0.803 1.975 -0.194) 2.140 14.081 ( -1.144 -3.733 -0.196) 3.910 17.368 ( -0.316 -5.105 -2.513) 5.698 18.385 ( -1.580 4.281 1.959) 4.966 18.826 ( 4.215 8.015 0.443) 9.067 19.047 ( -2.095 -5.283 0.205) 5.687 27.503 ( -6.757 16.340 0.100) 17.682 27.895 ( 9.604 -1.862 -0.053) 9.783 28.288 ( -1.589 -6.478 0.400) 6.682 28.816 ( -1.413 2.601 -0.349) 2.980 28.978 ( 0.615 -4.557 -0.617) 4.639 31.928 ( 1.272 1.346 -0.846) 2.036 35.116 ( -0.088 -1.871 0.318) 1.900 35.147 ( -1.478 -3.278 -0.197) 3.601 ======================= Grid point 357 (107/126) ======================= q-point: (-0.58 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 1.003 -0.788 6.329) 6.456 1.691 ( -4.597 4.433 -0.959) 6.457 1.872 ( -0.508 -3.961 0.031) 3.994 2.388 ( -1.701 0.144 3.255) 3.676 3.868 ( -16.417 14.330 -0.114) 21.792 4.162 ( -3.825 1.449 -0.408) 4.111 4.350 ( -0.628 3.018 -2.756) 4.135 4.507 ( -4.434 -10.918 -0.291) 11.787 5.249 ( 0.045 13.098 -0.590) 13.111 5.404 ( -0.808 8.374 -2.732) 8.846 5.653 ( -13.095 -18.643 -0.147) 22.783 6.223 ( 24.672 -4.644 0.627) 25.113 7.138 ( -9.850 13.571 -0.132) 16.769 7.425 ( -5.353 -9.848 0.874) 11.242 7.832 ( 16.787 -6.252 0.259) 17.915 8.178 ( 0.708 0.462 0.816) 1.175 11.475 ( -10.256 1.012 -1.186) 10.373 11.661 ( -3.742 19.008 0.661) 19.384 11.863 ( -1.599 -0.400 0.078) 1.650 12.010 ( -3.152 0.501 0.312) 3.207 12.086 ( 3.176 -2.158 0.249) 3.847 12.369 ( 13.869 -16.509 0.891) 21.580 14.004 ( -1.212 -1.315 -0.289) 1.812 14.054 ( 2.221 1.127 -0.117) 2.493 17.369 ( 4.680 -2.341 -2.567) 5.828 18.360 ( -5.795 4.830 1.759) 7.747 18.907 ( -4.743 -6.871 0.723) 8.380 18.988 ( 3.852 5.275 0.253) 6.537 27.493 ( -11.555 13.862 -0.077) 18.047 27.920 ( -1.165 -10.111 0.221) 10.180 28.276 ( 5.366 -0.966 0.392) 5.466 28.814 ( -1.803 2.645 -0.333) 3.219 28.977 ( 3.469 -2.682 -0.642) 4.432 31.930 ( -1.595 -0.543 -0.916) 1.918 35.109 ( 1.245 -0.356 0.773) 1.508 35.155 ( 4.057 -0.896 -0.678) 4.209 ======================= Grid point 362 (108/126) ======================= q-point: (-0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -10.897 7.646 0.757) 13.333 1.381 ( 0.200 -0.386 0.902) 1.001 1.435 ( 1.817 -1.236 -1.636) 2.740 1.889 ( -6.388 11.642 2.232) 13.466 2.115 ( -11.736 24.743 3.261) 27.579 2.858 ( -28.447 22.453 -0.841) 36.250 3.869 ( -2.805 8.110 0.015) 8.581 4.165 ( -9.649 6.511 -0.501) 11.651 4.571 ( -5.950 10.529 0.235) 12.096 4.845 ( -7.964 7.303 0.260) 10.808 6.217 ( 10.050 -9.750 -0.705) 14.020 6.650 ( -2.224 -1.736 -1.140) 3.042 7.174 ( -11.211 8.303 -0.331) 13.955 7.283 ( 7.358 -4.917 2.617) 9.229 8.156 ( -4.013 0.799 1.153) 4.251 8.526 ( 5.670 -1.190 -6.343) 8.590 11.101 ( -4.012 5.259 -0.319) 6.622 11.657 ( 1.633 -6.111 -0.801) 6.376 11.927 ( 10.811 -0.084 -0.269) 10.814 12.126 ( 7.649 -4.101 -0.008) 8.679 12.302 ( -3.658 -0.561 -1.805) 4.118 12.686 ( -4.675 -2.760 3.638) 6.535 14.021 ( 4.436 -5.195 0.650) 6.863 14.328 ( 1.428 -2.083 0.027) 2.526 17.687 ( 5.436 -0.088 -0.641) 5.475 18.107 ( 3.393 3.172 -1.090) 4.771 18.416 ( -13.157 1.250 -5.169) 14.191 18.767 ( -8.664 11.118 2.625) 14.338 26.852 ( 1.966 6.508 0.101) 6.799 27.520 ( -18.858 4.750 0.086) 19.447 28.176 ( 1.373 5.596 -0.491) 5.783 28.904 ( -3.723 4.050 -2.496) 6.041 29.138 ( 7.368 -8.000 1.668) 11.003 30.803 ( -24.663 29.379 -11.155) 39.948 35.713 ( 12.170 -14.105 12.875) 22.646 35.985 ( 11.940 -13.589 -5.121) 18.801 ======================= Grid point 363 (109/126) ======================= q-point: (-0.08 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -3.585 12.383 1.705) 13.004 1.357 ( -3.858 3.197 4.897) 7.006 1.432 ( 1.799 -5.556 -3.281) 6.698 1.978 ( 0.240 13.604 0.213) 13.608 2.123 ( -15.416 23.050 -1.119) 27.753 2.827 ( -7.463 35.196 1.286) 36.001 3.951 ( -2.168 9.485 -0.367) 9.737 4.074 ( -4.591 7.228 0.663) 8.588 4.542 ( -5.328 7.141 -1.731) 9.076 4.878 ( -2.840 14.421 1.465) 14.771 6.207 ( 3.092 -14.329 -0.831) 14.682 6.615 ( 0.068 0.238 1.298) 1.322 7.182 ( -2.293 14.180 -0.480) 14.372 7.312 ( 1.550 -7.189 4.930) 8.854 8.105 ( -0.717 1.050 -0.237) 1.293 8.571 ( 1.698 -3.918 -8.031) 9.095 11.094 ( -2.556 5.077 -0.330) 5.694 11.643 ( 2.912 -4.006 -0.635) 4.993 11.981 ( -2.688 -7.565 -0.064) 8.028 12.095 ( -0.713 -7.899 -0.922) 7.984 12.367 ( 1.275 6.585 0.052) 6.707 12.644 ( 7.593 -2.447 -0.318) 7.984 14.014 ( 2.094 -7.115 0.810) 7.461 14.341 ( 1.769 -1.475 -0.450) 2.347 17.774 ( 1.841 -3.850 0.659) 4.318 18.082 ( -11.041 4.548 -2.685) 12.239 18.321 ( 5.753 5.071 -4.773) 9.033 18.770 ( -6.431 12.853 5.544) 15.404 26.872 ( -6.365 2.291 -0.288) 6.771 27.440 ( 1.022 14.779 2.605) 15.042 28.209 ( -3.997 4.099 0.008) 5.725 28.893 ( -2.415 4.171 -1.239) 4.977 29.148 ( 4.032 -9.278 0.219) 10.118 30.829 ( -10.777 36.607 -13.406) 40.447 35.718 ( 6.560 -17.616 12.548) 22.601 35.987 ( 5.845 -16.908 -5.287) 18.654 ======================= Grid point 368 (110/126) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -0.000 -0.000 7.178) 7.178 1.804 ( -2.189 -4.378 -0.427) 4.913 1.804 ( 2.189 4.378 -0.427) 4.913 2.407 ( 0.000 -0.000 3.526) 3.526 4.152 ( -2.782 -5.564 -0.992) 6.300 4.152 ( 2.782 5.564 -0.992) 6.300 4.426 ( -2.784 -5.568 -0.947) 6.297 4.426 ( 2.784 5.568 -0.947) 6.297 5.250 ( 0.000 -0.000 -4.463) 4.463 5.674 ( -4.437 -8.875 0.806) 9.955 5.674 ( 4.437 8.875 0.806) 9.955 5.817 ( -0.000 0.000 -0.456) 0.456 7.444 ( -0.000 -0.000 1.128) 1.128 7.464 ( -6.400 -12.800 -0.066) 14.311 7.464 ( 6.400 12.800 -0.066) 14.312 8.171 ( -0.000 -0.000 0.990) 0.990 11.597 ( -0.000 -0.000 -1.560) 1.560 11.892 ( -0.000 -0.000 1.379) 1.379 11.914 ( -5.658 -11.316 0.300) 12.655 11.914 ( 5.658 11.316 0.300) 12.655 12.087 ( -1.635 -3.269 0.374) 3.674 12.087 ( 1.635 3.269 0.374) 3.674 14.023 ( -0.857 -1.714 -0.170) 1.923 14.023 ( 0.857 1.714 -0.170) 1.923 17.313 ( -0.000 -0.000 -2.706) 2.706 18.440 ( -0.000 -0.000 2.442) 2.442 18.946 ( -1.789 -3.579 0.189) 4.006 18.946 ( 1.789 3.579 0.189) 4.006 27.783 ( -4.806 -9.611 0.027) 10.746 27.783 ( 4.806 9.611 0.027) 10.746 28.203 ( -0.000 -0.000 0.341) 0.341 28.887 ( -1.946 -3.891 -0.472) 4.376 28.887 ( 1.946 3.891 -0.472) 4.376 31.940 ( -0.000 -0.000 -0.626) 0.626 35.106 ( -0.425 -0.850 -0.025) 0.950 35.106 ( 0.425 0.850 -0.025) 0.950 ======================= Grid point 375 (111/126) ======================= q-point: (-0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 2.518 -2.108 0.347) 3.303 1.320 ( -10.555 7.176 0.152) 12.764 1.521 ( -6.505 6.659 -2.962) 9.769 2.083 ( -5.836 7.050 5.574) 10.716 2.556 ( -9.403 24.739 1.969) 26.538 3.510 ( -25.500 13.134 -2.128) 28.762 3.992 ( -2.101 7.896 -0.374) 8.179 4.366 ( -8.338 3.097 0.719) 8.924 4.752 ( 0.403 12.387 0.865) 12.423 5.097 ( -15.751 5.276 -0.837) 16.632 5.941 ( 11.107 -8.522 -0.444) 14.006 6.660 ( -1.351 -1.877 -0.284) 2.329 7.082 ( 9.098 -3.359 0.419) 9.708 7.479 ( -15.017 2.864 -2.136) 15.436 8.211 ( -0.909 -1.512 1.585) 2.371 8.353 ( 9.593 -2.778 -2.081) 10.202 11.202 ( -1.428 4.313 0.167) 4.546 11.541 ( 7.470 -6.250 -1.108) 9.803 11.778 ( 5.341 4.442 -0.294) 6.953 11.960 ( 5.408 -3.639 -0.800) 6.567 12.301 ( 0.540 -3.284 -0.382) 3.350 12.811 ( -10.886 -2.336 3.727) 11.741 13.942 ( 1.754 -0.823 -0.446) 1.988 14.274 ( 1.778 -3.630 0.145) 4.045 17.592 ( 5.245 -0.479 -0.455) 5.287 18.109 ( -1.313 1.047 -0.581) 1.777 18.608 ( -5.441 5.457 -1.958) 7.951 18.971 ( -6.349 4.103 -0.010) 7.559 26.882 ( 2.986 8.281 0.046) 8.803 27.864 ( -19.031 -2.543 -0.199) 19.201 28.209 ( 2.568 8.227 -0.423) 8.629 28.929 ( 5.556 -3.178 -2.283) 6.796 29.008 ( -1.580 0.102 2.026) 2.571 31.403 ( -18.141 16.818 -6.058) 25.469 35.423 ( 8.367 -8.728 9.435) 15.337 35.653 ( 11.805 -11.058 -4.719) 16.849 ======================= Grid point 376 (112/126) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -7.653 10.769 -2.470) 13.440 1.345 ( 2.303 0.210 0.287) 2.330 1.473 ( -5.248 3.227 0.603) 6.191 2.106 ( -1.530 9.999 2.768) 10.487 2.652 ( -14.703 26.976 0.450) 30.726 3.304 ( -14.304 23.132 -0.572) 27.203 4.073 ( 0.021 11.091 -0.452) 11.100 4.234 ( -8.717 1.056 1.725) 8.949 4.764 ( -11.566 7.890 -0.271) 14.003 5.048 ( -0.084 13.210 -0.458) 13.218 5.986 ( 6.197 -13.496 -0.097) 14.851 6.627 ( -0.930 0.672 0.611) 1.300 7.187 ( 4.266 -5.850 1.235) 7.344 7.339 ( -2.754 7.247 -1.572) 7.910 8.162 ( -3.502 0.789 1.617) 3.937 8.439 ( 5.943 -7.834 -3.992) 10.613 11.186 ( -3.330 2.061 0.039) 3.916 11.591 ( 1.578 1.232 -1.240) 2.355 11.922 ( 3.395 -0.894 0.298) 3.524 12.016 ( 3.013 -7.051 -0.474) 7.683 12.325 ( 8.251 3.485 -1.207) 9.038 12.578 ( -7.180 -7.682 2.451) 10.797 13.948 ( 0.530 -2.168 0.104) 2.234 14.283 ( 2.783 -2.427 -0.233) 3.700 17.680 ( 5.007 -2.680 0.155) 5.681 18.171 ( 4.197 5.260 -0.403) 6.742 18.448 ( -13.648 2.064 -5.964) 15.036 18.962 ( -3.505 8.010 4.150) 9.678 27.007 ( -2.483 8.036 -0.181) 8.413 27.588 ( -8.262 3.866 0.639) 9.144 28.303 ( -0.564 5.863 -0.023) 5.890 28.969 ( -2.828 0.390 1.795) 3.372 28.991 ( 5.220 -4.365 -1.675) 7.008 31.332 ( -12.321 22.801 -7.962) 27.112 35.453 ( 6.723 -11.716 10.026) 16.822 35.704 ( 8.448 -14.142 -5.120) 17.251 ======================= Grid point 377 (113/126) ======================= q-point: (-0.08 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.440 8.638 -3.162) 9.209 1.386 ( -0.740 6.946 -0.104) 6.986 1.418 ( -3.778 2.855 3.109) 5.665 2.198 ( -0.451 9.605 0.617) 9.635 2.577 ( -15.921 20.850 -1.975) 26.308 3.489 ( -0.370 30.699 0.554) 30.707 4.048 ( -8.920 1.412 2.338) 9.328 4.261 ( 4.328 10.756 0.537) 11.607 4.656 ( -6.194 3.966 -0.770) 7.395 5.214 ( -0.900 19.223 -1.157) 19.278 5.903 ( 2.361 -15.901 0.461) 16.082 6.644 ( 0.410 2.668 1.236) 2.968 7.103 ( -0.816 -11.476 0.212) 11.507 7.493 ( 3.309 14.075 1.632) 14.551 8.143 ( -0.035 2.811 0.431) 2.844 8.398 ( 1.476 -12.594 -4.695) 13.521 11.150 ( -1.568 0.137 -0.138) 1.580 11.638 ( 1.272 3.407 -0.614) 3.688 11.798 ( -10.032 -11.351 -0.303) 15.152 11.936 ( 0.964 -5.994 0.097) 6.072 12.393 ( -3.317 -3.403 0.536) 4.782 12.701 ( 17.117 7.402 -1.421) 18.703 13.925 ( -0.266 -2.272 0.413) 2.324 14.306 ( 1.945 -2.284 -0.436) 3.032 17.653 ( -2.621 -6.931 0.551) 7.431 18.241 ( -7.149 9.698 -3.334) 12.501 18.390 ( 7.311 2.045 -2.841) 8.106 18.974 ( -4.170 7.746 5.573) 10.414 26.908 ( -9.663 1.457 -0.265) 9.776 27.722 ( 9.061 13.153 1.809) 16.074 28.293 ( -6.127 4.088 0.688) 7.398 28.903 ( -1.863 -4.334 2.230) 5.218 29.037 ( 2.480 -0.232 -2.670) 3.651 31.428 ( -4.188 23.656 -8.404) 25.451 35.420 ( 3.443 -12.321 9.218) 15.768 35.663 ( 3.931 -15.076 -5.146) 16.408 ======================= Grid point 388 (114/126) ======================= q-point: (-0.33 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.943 -0.463 2.197) 2.436 1.456 ( -1.793 2.988 1.106) 3.656 1.793 ( -12.522 7.488 -4.019) 15.134 2.232 ( -4.727 4.979 6.495) 9.451 2.898 ( -3.703 20.631 1.052) 20.987 3.940 ( -11.325 4.984 -4.181) 13.060 4.131 ( -6.875 9.507 0.228) 11.735 4.511 ( -6.061 0.394 1.141) 6.180 4.797 ( 5.425 10.072 0.046) 11.440 5.430 ( -10.848 0.976 -0.907) 10.930 5.716 ( 1.709 -3.999 0.135) 4.351 6.671 ( -1.488 -0.599 0.404) 1.654 6.906 ( 7.937 -2.159 -0.880) 8.272 7.691 ( -9.051 -7.289 -3.466) 12.128 8.106 ( 4.822 -0.085 2.795) 5.574 8.261 ( 2.243 -1.122 -0.097) 2.510 11.227 ( 5.839 6.195 0.416) 8.523 11.316 ( 7.562 -4.607 -0.279) 8.859 11.822 ( -1.046 4.170 -0.443) 4.322 11.890 ( -0.802 -0.018 -2.225) 2.366 12.235 ( 3.235 -3.315 0.728) 4.689 12.965 ( -10.405 -5.164 2.837) 11.958 13.940 ( -1.006 1.852 -0.550) 2.178 14.191 ( 2.828 -5.100 0.075) 5.832 17.505 ( 3.742 -0.982 0.090) 3.870 18.167 ( -4.731 -0.487 -0.478) 4.780 18.711 ( 1.648 8.655 0.150) 8.812 19.074 ( -4.265 -1.024 -1.441) 4.617 26.912 ( 3.674 9.149 -0.059) 9.859 28.086 ( -10.306 -5.313 0.004) 11.595 28.274 ( -2.014 7.258 -0.282) 7.537 28.799 ( 5.296 -2.211 -0.482) 5.760 29.052 ( -2.321 -0.036 0.337) 2.346 31.765 ( -10.381 7.638 -2.527) 13.134 35.251 ( 4.031 -4.712 4.807) 7.846 35.381 ( 8.751 -7.502 -2.782) 11.858 ======================= Grid point 389 (115/126) ======================= q-point: (-0.25 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 1.203 -1.250 0.186) 1.744 1.467 ( -2.819 7.649 1.269) 8.250 1.657 ( -10.828 6.490 -3.106) 13.001 2.227 ( -2.616 7.030 4.147) 8.571 3.103 ( -4.979 28.504 0.618) 28.942 3.760 ( -16.672 13.452 -2.500) 21.568 4.163 ( -0.019 7.751 -0.326) 7.758 4.386 ( -8.368 -0.474 1.991) 8.615 5.020 ( 1.258 14.106 0.343) 14.166 5.187 ( -12.407 3.937 -0.509) 13.027 5.742 ( 7.182 -11.686 0.058) 13.717 6.656 ( -0.602 1.507 0.578) 1.723 7.032 ( 8.080 -2.997 -0.268) 8.622 7.453 ( -8.259 -4.201 -3.557) 9.926 8.174 ( 3.240 -1.253 2.134) 4.077 8.273 ( 2.967 -6.332 -0.844) 7.044 11.243 ( -2.341 0.468 0.620) 2.467 11.564 ( 9.523 7.922 -1.174) 12.442 11.876 ( 3.324 5.018 0.455) 6.036 11.894 ( 2.477 -2.783 -1.168) 3.905 12.238 ( 2.218 -3.132 -0.483) 3.868 12.667 ( -12.483 -11.321 2.307) 17.009 13.942 ( -0.573 0.522 -0.221) 0.806 14.199 ( 3.410 -3.554 -0.115) 4.927 17.556 ( 4.817 -4.480 0.445) 6.593 18.173 ( 1.821 6.407 -0.737) 6.701 18.690 ( -10.727 3.044 -3.275) 11.621 19.046 ( 0.032 2.952 1.997) 3.565 27.105 ( 3.333 13.390 -0.128) 13.799 27.796 ( -14.529 -2.835 -0.217) 14.804 28.344 ( 1.441 4.206 0.045) 4.447 28.862 ( 4.417 -2.962 -0.201) 5.322 29.018 ( -1.407 0.168 0.542) 1.517 31.686 ( -9.125 11.305 -3.543) 14.954 35.265 ( 4.274 -6.952 6.085) 10.180 35.438 ( 7.920 -10.183 -3.709) 13.423 ======================= Grid point 390 (116/126) ======================= q-point: (-0.17 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 1.156 -1.061 -1.468) 2.149 1.509 ( -2.918 5.821 1.833) 6.765 1.575 ( -5.851 11.255 -1.397) 12.761 2.282 ( 0.214 7.596 1.273) 7.705 3.107 ( -21.085 18.178 -0.795) 27.851 3.789 ( -2.733 24.654 -0.927) 24.822 4.219 ( -9.546 -0.055 2.296) 9.818 4.284 ( 4.125 8.322 0.401) 9.297 4.874 ( -14.598 3.551 0.014) 15.024 5.360 ( 6.010 17.837 -1.236) 18.862 5.695 ( 3.474 -15.403 0.931) 15.818 6.673 ( 0.279 1.651 0.903) 1.902 7.007 ( -1.995 -10.754 -1.249) 11.008 7.483 ( 8.611 7.825 -0.987) 11.677 8.193 ( 0.272 -0.436 1.505) 1.590 8.228 ( 1.598 -10.697 -1.769) 10.960 11.192 ( -3.720 -0.122 0.304) 3.734 11.692 ( -0.823 6.647 -0.935) 6.763 11.842 ( -5.401 -9.795 -0.693) 11.206 11.909 ( -2.942 -0.024 0.782) 3.045 12.407 ( -5.026 -8.438 0.526) 9.836 12.439 ( 20.030 7.021 -0.397) 21.229 13.927 ( -1.097 -0.148 0.170) 1.120 14.232 ( 3.514 -2.822 -0.295) 4.516 17.574 ( 3.473 -6.852 0.536) 7.701 18.308 ( 4.470 6.247 -0.685) 7.712 18.505 ( -12.094 4.739 -4.391) 13.712 19.076 ( -1.037 3.475 3.750) 5.217 27.134 ( -12.241 4.378 -0.341) 13.005 27.714 ( 3.876 8.890 0.349) 9.705 28.383 ( -0.690 2.029 0.484) 2.197 28.863 ( 0.196 -5.200 1.000) 5.299 29.025 ( 1.123 1.774 -0.653) 2.199 31.691 ( -4.596 13.491 -4.243) 14.871 35.258 ( 3.433 -7.775 6.144) 10.487 35.447 ( 5.534 -11.334 -3.990) 13.229 ======================= Grid point 391 (117/126) ======================= q-point: (-0.08 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.808 -1.295 -0.842) 1.743 1.465 ( -3.391 1.950 2.016) 4.401 1.693 ( 0.558 15.803 0.238) 15.814 2.358 ( -0.224 6.065 -0.704) 6.110 2.917 ( -15.296 13.078 -1.160) 20.158 4.000 ( -1.755 17.861 0.071) 17.948 4.066 ( -5.836 2.616 1.218) 6.511 4.478 ( 5.173 12.057 0.662) 13.137 4.702 ( -7.761 0.885 -0.148) 7.812 5.519 ( -1.572 -5.805 -0.314) 6.022 5.685 ( 5.208 10.415 -0.293) 11.649 6.687 ( 0.613 -0.482 1.099) 1.348 6.873 ( -0.419 -9.470 -1.331) 9.572 7.742 ( 6.860 10.895 1.126) 12.924 8.110 ( 1.652 -15.326 -2.630) 15.638 8.207 ( -0.622 3.203 1.114) 3.447 11.121 ( -2.767 -2.363 -0.090) 3.640 11.540 ( -9.927 -11.528 -0.128) 15.213 11.760 ( -0.372 5.161 -0.579) 5.207 11.881 ( -1.338 0.776 0.854) 1.767 12.292 ( -1.291 -6.109 -0.726) 6.286 12.866 ( 17.114 8.231 -0.324) 18.993 13.915 ( -0.493 1.173 0.216) 1.290 14.243 ( 1.348 -4.209 -0.260) 4.427 17.529 ( -1.332 -5.168 0.404) 5.352 18.369 ( 0.103 0.231 -4.115) 4.123 18.466 ( -1.584 8.217 -0.264) 8.372 19.083 ( -1.674 3.445 4.017) 5.550 26.931 ( -10.696 0.848 -0.198) 10.732 27.949 ( 8.976 9.529 0.520) 13.101 28.365 ( -3.884 3.063 1.102) 5.067 28.794 ( -1.269 -5.320 0.752) 5.521 29.069 ( 1.316 1.865 -0.984) 2.486 31.779 ( -0.759 12.225 -3.990) 12.882 35.230 ( 1.821 -6.748 5.126) 8.667 35.406 ( 2.556 -10.578 -3.590) 11.460 ======================= Grid point 401 (118/126) ======================= q-point: (-0.42 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -0.257 0.062 2.152) 2.168 1.491 ( 0.634 2.707 1.030) 2.965 1.987 ( -4.068 0.271 -0.286) 4.087 2.352 ( -3.953 3.971 3.421) 6.565 3.082 ( 3.344 15.640 0.351) 15.997 4.045 ( 0.224 4.058 -1.889) 4.482 4.338 ( -4.043 1.504 -1.645) 4.617 4.581 ( -1.996 4.108 1.015) 4.678 4.839 ( -0.891 6.105 0.258) 6.175 5.303 ( 10.547 -5.155 -2.733) 12.053 5.920 ( -13.429 1.880 1.392) 13.631 6.668 ( 0.507 -6.949 -0.037) 6.968 6.783 ( 3.488 1.240 -0.769) 3.780 7.675 ( -2.545 -4.570 -1.961) 5.586 8.110 ( 2.675 0.011 2.101) 3.402 8.214 ( -2.923 -3.771 0.144) 4.773 11.107 ( 9.309 6.241 0.013) 11.207 11.287 ( -0.754 2.335 0.073) 2.455 11.822 ( 1.710 1.406 -0.151) 2.219 11.995 ( -5.531 3.248 -2.506) 6.886 12.132 ( 4.676 -2.575 1.280) 5.489 13.041 ( -6.745 -9.856 1.669) 12.059 14.012 ( -3.919 3.004 -0.269) 4.945 14.082 ( 3.429 -4.723 0.005) 5.837 17.453 ( 1.069 -0.835 0.448) 1.429 18.251 ( -5.867 -1.446 -0.945) 6.116 18.718 ( 7.493 8.433 0.488) 11.291 19.113 ( -2.829 -2.729 -0.770) 4.005 26.934 ( 4.575 9.416 -0.121) 10.469 28.136 ( -1.216 -2.369 0.122) 2.666 28.386 ( -4.833 0.060 -0.028) 4.833 28.712 ( 3.236 0.212 0.005) 3.243 29.083 ( -2.022 -1.294 -0.026) 2.401 31.928 ( -3.671 1.638 -1.131) 4.176 35.180 ( 1.193 -2.390 -0.073) 2.673 35.223 ( 2.385 -2.969 0.641) 3.862 ======================= Grid point 402 (119/126) ======================= q-point: (-0.33 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.171 -0.447 1.361) 1.442 1.546 ( 0.546 5.839 0.828) 5.922 1.884 ( -8.505 1.857 -1.798) 8.889 2.333 ( -2.875 4.812 3.648) 6.688 3.378 ( 4.582 26.397 0.260) 26.793 4.068 ( -4.881 7.348 -3.470) 9.479 4.270 ( -5.759 3.937 -0.027) 6.976 4.506 ( -7.430 -0.357 1.381) 7.566 5.023 ( 9.522 12.524 0.136) 15.733 5.404 ( 3.581 -3.051 -0.896) 4.789 5.641 ( -15.811 -2.907 0.971) 16.105 6.609 ( 3.399 -11.045 -0.085) 11.557 6.903 ( 6.373 5.881 -0.270) 8.676 7.526 ( -7.639 -6.572 -2.829) 10.466 8.120 ( -1.090 -6.110 0.073) 6.207 8.164 ( 4.132 -2.666 1.737) 5.215 11.298 ( -1.944 4.283 0.686) 4.753 11.422 ( 15.784 11.240 0.157) 19.378 11.864 ( 1.047 0.785 -0.893) 1.584 11.941 ( -4.185 4.351 -1.454) 6.209 12.166 ( 2.491 -3.654 0.291) 4.432 12.744 ( -11.499 -16.111 1.567) 19.856 13.980 ( -2.566 1.707 -0.152) 3.086 14.100 ( 3.669 -3.549 -0.079) 5.105 17.446 ( 1.810 -5.426 0.841) 5.781 18.228 ( -0.144 6.927 -1.056) 7.009 18.860 ( -2.863 5.905 -0.307) 6.570 19.034 ( 0.211 -2.844 -0.340) 2.872 27.163 ( 6.486 15.502 -0.217) 16.805 27.996 ( -11.393 -3.752 -0.127) 11.996 28.344 ( 0.528 -0.189 0.015) 0.561 28.778 ( 3.733 0.173 -0.067) 3.738 29.030 ( -1.596 -2.228 0.347) 2.763 31.877 ( -4.854 3.707 -1.195) 6.223 35.168 ( 1.141 -3.567 2.140) 4.314 35.245 ( 4.870 -5.938 -1.453) 7.816 ======================= Grid point 403 (120/126) ======================= q-point: (-0.25 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.670 -0.584 0.321) 0.945 1.608 ( -1.659 5.982 0.944) 6.280 1.772 ( -6.517 5.206 -1.553) 8.485 2.351 ( -0.965 5.279 1.798) 5.659 3.596 ( -12.434 19.412 -0.561) 23.060 4.060 ( -4.923 14.911 -2.296) 15.870 4.290 ( 3.307 7.080 0.885) 7.864 4.357 ( -7.797 -2.489 0.974) 8.243 5.213 ( -19.968 3.768 0.927) 20.342 5.363 ( 11.565 14.306 0.004) 18.396 5.496 ( 3.761 -10.845 -0.099) 11.479 6.564 ( 5.991 -14.675 0.244) 15.853 7.034 ( -3.984 5.464 -0.686) 6.797 7.408 ( 4.067 1.581 -2.023) 4.809 8.037 ( 2.304 -13.193 -0.784) 13.415 8.206 ( 2.081 -0.110 1.651) 2.659 11.286 ( -4.875 4.524 0.924) 6.715 11.748 ( 4.421 6.915 -0.201) 8.210 11.844 ( -2.985 -1.116 -1.721) 3.622 11.974 ( -0.417 4.139 0.815) 4.239 12.189 ( 10.246 -1.052 -0.380) 10.306 12.411 ( -6.974 -12.976 0.623) 14.744 13.955 ( -1.758 0.812 0.071) 1.937 14.137 ( 3.958 -2.817 -0.216) 4.863 17.431 ( 4.172 -6.903 0.781) 8.104 18.332 ( 1.396 7.848 -0.839) 8.015 18.744 ( -10.738 3.083 -2.578) 11.466 19.077 ( 2.886 -0.009 1.975) 3.497 27.369 ( -4.454 11.669 -0.256) 12.493 27.782 ( -5.738 2.258 -0.246) 6.171 28.367 ( 2.464 -1.738 0.259) 3.026 28.819 ( 0.838 -1.358 0.236) 1.613 29.005 ( 1.410 -1.499 0.227) 2.070 31.852 ( -3.217 5.675 -1.480) 6.689 35.154 ( 1.776 -4.099 2.966) 5.362 35.264 ( 4.777 -7.167 -2.303) 8.915 ======================= Grid point 404 (121/126) ======================= q-point: (-0.17 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.879 -0.668 -0.005) 1.104 1.563 ( -5.780 1.432 0.794) 6.007 1.817 ( 0.629 10.352 0.508) 10.383 2.395 ( 0.608 3.444 -0.137) 3.500 3.375 ( -23.785 9.090 -0.334) 25.465 4.162 ( -0.070 10.821 -1.718) 10.957 4.198 ( -8.012 -1.708 0.947) 8.247 4.514 ( 6.751 15.380 0.642) 16.809 4.915 ( -15.755 0.656 0.273) 15.771 5.398 ( 0.486 -13.156 0.723) 13.185 5.737 ( 8.901 18.942 -0.824) 20.946 6.534 ( 8.276 -14.533 0.628) 16.736 6.906 ( -8.731 0.099 -1.514) 8.862 7.674 ( 13.130 11.556 -0.002) 17.491 7.929 ( 1.348 -14.958 -1.348) 15.079 8.231 ( 0.881 0.142 1.367) 1.632 11.212 ( -7.781 2.358 0.447) 8.143 11.606 ( -10.734 -11.014 0.171) 15.381 11.823 ( -2.216 3.228 -0.987) 4.038 11.950 ( -2.790 4.501 0.842) 5.363 12.240 ( -0.742 -7.996 -0.945) 8.085 12.597 ( 22.602 7.940 0.183) 23.957 13.942 ( -0.898 1.788 0.160) 2.007 14.164 ( 2.700 -4.142 -0.201) 4.949 17.451 ( 4.314 -4.776 0.733) 6.477 18.352 ( -2.583 -1.096 -1.784) 3.325 18.663 ( -6.315 9.795 -1.574) 11.760 19.102 ( 1.009 -0.754 2.253) 2.581 27.186 ( -17.058 1.178 -0.299) 17.101 27.913 ( 6.817 10.073 -0.011) 12.163 28.387 ( 1.848 -1.354 0.503) 2.346 28.779 ( -2.078 -3.160 0.523) 3.818 29.044 ( 3.070 0.152 -0.204) 3.080 31.880 ( -0.545 5.898 -1.678) 6.156 35.149 ( 1.823 -3.185 2.665) 4.536 35.265 ( 3.508 -6.838 -2.156) 7.982 ======================= Grid point 405 (122/126) ======================= q-point: (-0.08 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.360 -0.804 0.963) 1.305 1.492 ( -3.155 0.693 1.359) 3.504 1.937 ( 1.821 8.058 1.795) 8.454 2.418 ( -0.456 -0.383 -0.447) 0.744 3.089 ( -14.940 4.207 -0.253) 15.523 4.060 ( -6.263 0.046 0.764) 6.310 4.275 ( 2.381 7.925 -1.533) 8.416 4.665 ( -6.977 -1.768 0.458) 7.212 4.774 ( 1.013 11.903 -0.950) 11.984 5.266 ( -1.179 -10.276 -0.097) 10.344 5.984 ( 2.542 8.971 -0.351) 9.331 6.599 ( 9.196 -2.592 0.301) 9.559 6.796 ( -3.521 -1.344 -0.909) 3.877 7.791 ( -1.659 -10.060 -1.160) 10.262 7.978 ( 8.592 7.560 0.646) 11.463 8.245 ( 1.044 -0.016 1.038) 1.473 11.077 ( -7.386 -1.306 0.002) 7.501 11.361 ( -5.949 -6.079 -0.176) 8.507 11.808 ( -1.509 0.793 -0.238) 1.721 11.974 ( -1.303 6.588 0.926) 6.779 12.162 ( -0.130 -6.667 -1.408) 6.815 13.000 ( 14.743 4.803 0.643) 15.519 13.971 ( 0.875 4.324 0.021) 4.412 14.139 ( 0.245 -6.066 -0.119) 6.072 17.458 ( 0.169 -1.929 0.461) 1.991 18.329 ( 4.236 -3.307 -1.966) 5.723 18.625 ( -8.975 6.799 -0.323) 11.264 19.120 ( 1.379 0.550 1.575) 2.164 26.941 ( -10.782 0.108 -0.154) 10.784 28.091 ( 4.286 4.598 0.041) 6.286 28.412 ( 1.145 1.269 0.680) 1.840 28.711 ( -1.887 -2.579 0.229) 3.203 29.092 ( 1.920 0.337 -0.302) 1.972 31.932 ( 0.628 3.590 -1.601) 3.981 35.154 ( 1.176 -0.938 1.538) 2.151 35.251 ( 1.741 -5.023 -1.150) 5.439 ======================= Grid point 413 (123/126) ======================= q-point: (-0.42 0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -0.526 -0.305 1.047) 1.211 1.573 ( 2.605 5.335 0.594) 5.967 1.946 ( 0.211 -3.838 0.724) 3.911 2.408 ( -1.431 1.638 0.920) 2.362 3.468 ( 12.766 21.780 0.105) 25.245 4.152 ( 0.214 5.893 -1.574) 6.103 4.297 ( 2.577 -3.510 -0.706) 4.411 4.671 ( -6.389 -0.300 0.932) 6.464 4.956 ( 10.971 8.441 -0.326) 13.847 5.262 ( 2.930 1.208 -0.731) 3.253 5.932 ( -9.335 -1.306 0.763) 9.457 6.380 ( -1.847 -18.053 -0.093) 18.147 6.904 ( 4.574 9.501 -0.677) 10.567 7.656 ( -11.210 1.574 -1.593) 11.431 7.932 ( 5.618 -15.342 0.458) 16.345 8.198 ( -3.399 0.510 1.002) 3.580 11.287 ( 11.508 9.354 0.523) 14.839 11.412 ( -2.637 11.245 0.428) 11.558 11.855 ( 1.867 1.893 -0.780) 2.771 12.041 ( 1.194 0.316 -0.417) 1.304 12.105 ( -2.577 0.992 -0.529) 2.811 12.723 ( -7.415 -21.014 0.758) 22.297 13.998 ( 2.695 -2.183 0.063) 3.469 14.074 ( -4.142 1.461 -0.138) 4.394 17.402 ( -2.505 -4.175 0.913) 4.954 18.301 ( -0.474 6.158 -1.504) 6.357 18.838 ( 9.395 2.630 0.121) 9.756 19.056 ( -4.946 -2.040 0.039) 5.351 27.190 ( 8.345 15.673 -0.267) 17.758 28.058 ( -0.091 -5.877 0.040) 5.878 28.348 ( -3.730 -3.185 0.050) 4.905 28.745 ( 1.595 2.837 0.295) 3.268 29.038 ( -2.418 -3.175 0.029) 3.991 31.936 ( -0.366 -0.548 -0.659) 0.932 35.132 ( 0.274 -2.073 -0.006) 2.091 35.181 ( -2.358 -1.455 0.069) 2.771 ======================= Grid point 415 (124/126) ======================= q-point: (-0.33 0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.001 -0.249 0.892) 0.926 1.675 ( 1.477 6.842 0.287) 7.006 1.876 ( -3.716 -2.397 -0.387) 4.439 2.413 ( -0.923 2.958 1.417) 3.407 3.874 ( 4.630 21.584 -0.577) 22.083 4.186 ( -0.739 3.064 -2.360) 3.938 4.313 ( 1.884 2.215 0.272) 2.920 4.495 ( -11.094 -1.610 0.731) 11.234 5.242 ( 9.548 2.222 -0.488) 9.815 5.373 ( 8.843 8.542 0.080) 12.295 5.636 ( -23.264 2.253 1.260) 23.407 6.229 ( 8.122 -24.160 0.083) 25.489 7.138 ( 6.681 15.666 -0.176) 17.032 7.457 ( -11.146 -1.008 -1.719) 11.323 7.839 ( 3.721 -17.756 -0.262) 18.144 8.178 ( 0.324 0.468 0.852) 1.025 11.435 ( -3.387 8.112 1.882) 8.990 11.666 ( 13.813 12.689 0.225) 18.758 11.891 ( -0.412 2.445 -2.004) 3.188 12.020 ( -2.551 3.020 -0.514) 3.987 12.090 ( 0.091 -3.919 -0.077) 3.921 12.374 ( -7.216 -19.844 0.524) 21.122 13.999 ( -1.806 0.560 0.050) 1.892 14.055 ( 2.178 -1.483 -0.144) 2.639 17.326 ( 0.295 -5.410 0.976) 5.505 18.394 ( 1.205 8.047 -1.053) 8.205 18.926 ( -8.117 0.577 -0.907) 8.188 18.985 ( 6.477 -1.311 0.614) 6.637 27.495 ( 6.050 16.972 -0.251) 18.020 27.924 ( -8.970 -4.245 -0.108) 9.924 28.283 ( 1.722 -5.070 -0.113) 5.355 28.807 ( 1.595 2.653 0.224) 3.104 28.965 ( -0.878 -4.151 0.269) 4.251 31.922 ( -1.262 1.098 -0.272) 1.695 35.114 ( -0.169 -1.665 0.456) 1.735 35.152 ( 1.715 -3.423 -0.562) 3.870 ======================= Grid point 416 (125/126) ======================= q-point: (-0.25 0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.400 -0.231 0.680) 0.821 1.684 ( -6.281 1.539 0.107) 6.467 1.860 ( 2.504 3.205 0.161) 4.070 2.422 ( -0.867 1.595 0.733) 1.957 3.860 ( -21.171 7.453 -0.395) 22.448 4.212 ( 0.867 1.442 -2.310) 2.858 4.299 ( -5.997 -1.688 0.154) 6.232 4.515 ( 8.829 9.708 0.886) 13.152 5.211 ( -12.722 -4.863 -0.280) 13.622 5.323 ( -7.414 0.683 0.673) 7.476 5.739 ( 11.745 17.575 0.149) 21.139 6.172 ( 12.528 -20.313 0.555) 23.872 7.131 ( -15.512 2.410 -1.015) 15.730 7.552 ( 13.019 11.080 -0.412) 17.101 7.745 ( 4.776 -14.005 -0.723) 14.814 8.195 ( 1.511 -1.097 0.765) 2.018 11.413 ( -8.312 7.190 1.680) 11.118 11.701 ( -11.764 -6.903 0.164) 13.640 11.899 ( -3.607 1.589 -1.645) 4.271 12.030 ( -1.570 2.301 0.268) 2.799 12.152 ( 2.861 -6.805 -0.733) 7.418 12.279 ( 19.818 3.724 0.229) 20.166 13.980 ( -1.353 1.824 0.073) 2.272 14.080 ( 2.632 -2.990 -0.143) 3.986 17.326 ( 4.566 -2.982 0.939) 5.534 18.423 ( -4.645 0.925 -1.152) 4.874 18.842 ( -4.626 6.868 -0.932) 8.333 19.040 ( 3.151 -3.753 0.830) 4.970 27.508 ( -17.355 2.305 -0.268) 17.509 27.896 ( 6.207 7.238 -0.131) 9.536 28.294 ( 4.663 -4.420 -0.012) 6.425 28.807 ( -3.041 -0.066 0.384) 3.066 28.969 ( 4.405 -1.543 0.119) 4.669 31.922 ( -0.309 1.635 -0.335) 1.697 35.107 ( 0.841 -0.608 0.758) 1.285 35.159 ( 2.815 -3.288 -0.888) 4.418 ======================= Grid point 428 (126/126) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 6.61e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 0.000 0.828) 0.828 1.799 ( -2.298 -4.596 -0.036) 5.139 1.799 ( 2.298 4.596 -0.036) 5.139 2.443 ( 0.000 -0.000 0.980) 0.980 4.160 ( -2.991 -5.983 -1.788) 6.924 4.160 ( 2.991 5.983 -1.788) 6.924 4.405 ( -3.050 -6.099 0.858) 6.873 4.405 ( 3.050 6.099 0.858) 6.873 5.211 ( 0.000 0.000 -1.441) 1.441 5.672 ( -4.348 -8.696 0.914) 9.765 5.672 ( 4.348 8.696 0.914) 9.765 5.802 ( 0.000 0.000 0.695) 0.695 7.467 ( -6.325 -12.651 -0.310) 14.147 7.467 ( 6.325 12.651 -0.310) 14.147 7.472 ( 0.000 -0.000 -1.182) 1.182 8.179 ( 0.000 0.000 0.373) 0.373 11.535 ( 0.000 0.000 3.083) 3.083 11.920 ( -5.758 -11.517 -0.179) 12.877 11.920 ( 5.758 11.517 -0.179) 12.877 11.951 ( -0.000 -0.000 -3.020) 3.020 12.090 ( -1.645 -3.289 0.143) 3.680 12.090 ( 1.645 3.289 0.143) 3.680 14.022 ( -0.893 -1.785 -0.038) 1.996 14.022 ( 0.893 1.785 -0.038) 1.996 17.267 ( 0.000 0.000 1.002) 1.002 18.482 ( 0.000 0.000 -0.981) 0.981 18.950 ( -1.489 -2.979 -0.125) 3.333 18.950 ( 1.489 2.979 -0.125) 3.333 27.785 ( -4.789 -9.577 -0.120) 10.708 27.785 ( 4.789 9.577 -0.120) 10.708 28.211 ( -0.000 0.000 -0.343) 0.343 28.878 ( -1.931 -3.862 0.280) 4.327 28.878 ( 1.931 3.862 0.280) 4.327 31.931 ( 0.000 0.000 0.069) 0.069 35.107 ( -0.487 -0.975 -0.172) 1.103 35.107 ( 0.487 0.975 -0.172) 1.103 =================== 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 3/25920 10.0 93.379 93.379 51.819 0.000 -0.000 -0.000 3/25920 20.0 30.503 30.503 12.593 0.000 -0.000 -0.000 3/25920 30.0 18.148 18.148 6.712 0.000 -0.000 -0.000 3/25920 40.0 13.051 13.051 4.441 0.000 -0.000 -0.000 3/25920 50.0 10.364 10.364 3.280 0.000 -0.000 -0.000 3/25920 60.0 8.712 8.712 2.593 0.000 -0.000 -0.000 3/25920 70.0 7.580 7.580 2.147 0.000 -0.000 -0.000 3/25920 80.0 6.742 6.742 1.836 0.000 -0.000 -0.000 3/25920 90.0 6.087 6.087 1.608 0.000 -0.000 -0.000 3/25920 100.0 5.556 5.556 1.433 0.000 -0.000 -0.000 3/25920 110.0 5.114 5.114 1.295 0.000 -0.000 -0.000 3/25920 120.0 4.740 4.740 1.183 0.000 -0.000 -0.000 3/25920 130.0 4.419 4.419 1.090 0.000 -0.000 -0.000 3/25920 140.0 4.139 4.139 1.011 0.000 -0.000 -0.000 3/25920 150.0 3.894 3.894 0.944 0.000 -0.000 -0.000 3/25920 160.0 3.677 3.677 0.885 0.000 -0.000 -0.000 3/25920 170.0 3.483 3.483 0.834 0.000 -0.000 -0.000 3/25920 180.0 3.310 3.310 0.789 0.000 -0.000 -0.000 3/25920 190.0 3.154 3.154 0.749 0.000 -0.000 -0.000 3/25920 200.0 3.012 3.012 0.713 0.000 -0.000 -0.000 3/25920 210.0 2.884 2.884 0.681 0.000 -0.000 -0.000 3/25920 220.0 2.766 2.766 0.653 0.000 -0.000 -0.000 3/25920 230.0 2.659 2.659 0.627 0.000 -0.000 -0.000 3/25920 240.0 2.560 2.560 0.603 0.000 -0.000 -0.000 3/25920 250.0 2.469 2.469 0.582 0.000 -0.000 -0.000 3/25920 260.0 2.384 2.384 0.562 0.000 -0.000 -0.000 3/25920 270.0 2.306 2.306 0.544 0.000 -0.000 -0.000 3/25920 280.0 2.233 2.233 0.527 0.000 -0.000 -0.000 3/25920 290.0 2.165 2.165 0.512 0.000 -0.000 -0.000 3/25920 300.0 2.102 2.102 0.498 0.000 -0.000 -0.000 3/25920 310.0 2.042 2.042 0.485 0.000 -0.000 -0.000 3/25920 320.0 1.986 1.986 0.473 0.000 -0.000 -0.000 3/25920 330.0 1.933 1.933 0.461 0.000 -0.000 -0.000 3/25920 340.0 1.883 1.883 0.451 0.000 -0.000 -0.000 3/25920 350.0 1.836 1.836 0.441 0.000 -0.000 -0.000 3/25920 360.0 1.792 1.792 0.431 0.000 -0.000 -0.000 3/25920 370.0 1.750 1.750 0.423 0.000 -0.000 -0.000 3/25920 380.0 1.709 1.709 0.414 0.000 -0.000 -0.000 3/25920 390.0 1.671 1.671 0.406 0.000 -0.000 -0.000 3/25920 400.0 1.635 1.635 0.399 0.000 -0.000 -0.000 3/25920 410.0 1.600 1.600 0.391 0.000 -0.000 -0.000 3/25920 420.0 1.567 1.567 0.385 0.000 -0.000 -0.000 3/25920 430.0 1.535 1.535 0.378 0.000 -0.000 -0.000 3/25920 440.0 1.504 1.504 0.372 0.000 -0.000 -0.000 3/25920 450.0 1.475 1.475 0.366 0.000 -0.000 -0.000 3/25920 460.0 1.447 1.447 0.360 0.000 -0.000 -0.000 3/25920 470.0 1.420 1.420 0.354 0.000 -0.000 -0.000 3/25920 480.0 1.394 1.394 0.349 0.000 -0.000 -0.000 3/25920 490.0 1.369 1.369 0.344 0.000 -0.000 -0.000 3/25920 500.0 1.345 1.345 0.339 0.000 -0.000 -0.000 3/25920 510.0 1.322 1.322 0.334 0.000 -0.000 -0.000 3/25920 520.0 1.300 1.300 0.329 0.000 -0.000 -0.000 3/25920 530.0 1.278 1.278 0.325 0.000 -0.000 -0.000 3/25920 540.0 1.257 1.257 0.320 0.000 -0.000 -0.000 3/25920 550.0 1.237 1.237 0.316 0.000 -0.000 -0.000 3/25920 560.0 1.217 1.217 0.312 0.000 -0.000 -0.000 3/25920 570.0 1.198 1.198 0.308 0.000 -0.000 -0.000 3/25920 580.0 1.180 1.180 0.304 0.000 -0.000 -0.000 3/25920 590.0 1.162 1.162 0.300 0.000 -0.000 -0.000 3/25920 600.0 1.145 1.145 0.296 0.000 -0.000 -0.000 3/25920 610.0 1.128 1.128 0.292 0.000 -0.000 -0.000 3/25920 620.0 1.112 1.112 0.289 0.000 -0.000 -0.000 3/25920 630.0 1.096 1.096 0.285 0.000 -0.000 -0.000 3/25920 640.0 1.080 1.080 0.282 0.000 -0.000 -0.000 3/25920 650.0 1.065 1.065 0.279 0.000 -0.000 -0.000 3/25920 660.0 1.051 1.051 0.275 0.000 -0.000 -0.000 3/25920 670.0 1.037 1.037 0.272 0.000 -0.000 -0.000 3/25920 680.0 1.023 1.023 0.269 0.000 -0.000 -0.000 3/25920 690.0 1.009 1.009 0.266 0.000 -0.000 -0.000 3/25920 700.0 0.996 0.996 0.263 0.000 -0.000 -0.000 3/25920 710.0 0.984 0.984 0.260 0.000 -0.000 -0.000 3/25920 720.0 0.971 0.971 0.257 0.000 -0.000 -0.000 3/25920 730.0 0.959 0.959 0.255 0.000 -0.000 -0.000 3/25920 740.0 0.947 0.947 0.252 0.000 -0.000 -0.000 3/25920 750.0 0.936 0.936 0.249 0.000 -0.000 -0.000 3/25920 760.0 0.924 0.924 0.247 0.000 -0.000 -0.000 3/25920 770.0 0.913 0.913 0.244 0.000 -0.000 -0.000 3/25920 780.0 0.903 0.903 0.241 0.000 -0.000 -0.000 3/25920 790.0 0.892 0.892 0.239 0.000 -0.000 -0.000 3/25920 800.0 0.882 0.882 0.237 0.000 -0.000 -0.000 3/25920 810.0 0.872 0.872 0.234 0.000 -0.000 -0.000 3/25920 820.0 0.862 0.862 0.232 0.000 -0.000 -0.000 3/25920 830.0 0.852 0.852 0.230 0.000 -0.000 -0.000 3/25920 840.0 0.843 0.843 0.227 0.000 -0.000 -0.000 3/25920 850.0 0.834 0.834 0.225 0.000 -0.000 -0.000 3/25920 860.0 0.825 0.825 0.223 0.000 -0.000 -0.000 3/25920 870.0 0.816 0.816 0.221 0.000 -0.000 -0.000 3/25920 880.0 0.807 0.807 0.219 0.000 -0.000 -0.000 3/25920 890.0 0.799 0.799 0.217 0.000 -0.000 -0.000 3/25920 900.0 0.791 0.791 0.215 0.000 -0.000 -0.000 3/25920 910.0 0.782 0.782 0.213 0.000 -0.000 -0.000 3/25920 920.0 0.775 0.775 0.211 0.000 -0.000 -0.000 3/25920 930.0 0.767 0.767 0.209 0.000 -0.000 -0.000 3/25920 940.0 0.759 0.759 0.207 0.000 -0.000 -0.000 3/25920 950.0 0.752 0.752 0.205 0.000 -0.000 -0.000 3/25920 960.0 0.744 0.744 0.203 0.000 -0.000 -0.000 3/25920 970.0 0.737 0.737 0.202 0.000 -0.000 -0.000 3/25920 980.0 0.730 0.730 0.200 0.000 -0.000 -0.000 3/25920 990.0 0.723 0.723 0.198 0.000 -0.000 -0.000 3/25920 1000.0 0.716 0.716 0.196 0.000 -0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m12125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:31:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|