----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:25:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P3m1 (156) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.627627819402615 0.000000000000000 0.000000000000000 b -2.313813909701308 4.007643250862251 0.000000000000000 c 0.000000000000000 0.000000000000000 6.929823450000000 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.84450834758604 39.098 *2 Na 0.33333333333333 0.66666666666667 0.30157156348635 22.990 *3 B 0.33333333333333 0.66666666666667 0.66600428591820 10.811 *4 B 0.66666666666667 0.33333333333333 0.14554139053797 10.811 *5 H 0.33333333333333 0.66666666666667 0.84396169344207 1.008 *6 H 0.66666666666667 0.33333333333333 0.96876032449572 1.008 *7 H 0.81165962640732 0.18834037359268 0.20675046496175 1.008 *8 H 0.47884922411938 0.52115077588062 0.60848031321613 1.008 9 H 0.81165962640732 0.62331925281464 0.20675046496175 1.008 10 H 0.37668074718536 0.18834037359268 0.20675046496175 1.008 11 H 0.04230155176125 0.52115077588062 0.60848031321613 1.008 12 H 0.47884922411938 0.95769844823875 0.60848031321613 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.627627819402615 0.000000000000000 0.000000000000000 b -2.313813909701308 4.007643250862251 0.000000000000000 c 0.000000000000000 0.000000000000000 6.929823450000000 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.84450834758604 39.098 > 1 *2 Na 0.33333333333333 0.66666666666667 0.30157156348635 22.990 > 2 *3 B 0.33333333333333 0.66666666666667 0.66600428591820 10.811 > 3 *4 B 0.66666666666667 0.33333333333333 0.14554139053797 10.811 > 4 *5 H 0.33333333333333 0.66666666666667 0.84396169344207 1.008 > 5 *6 H 0.66666666666667 0.33333333333333 0.96876032449572 1.008 > 6 *7 H 0.81165962640732 0.18834037359268 0.20675046496175 1.008 > 7 *8 H 0.47884922411938 0.52115077588062 0.60848031321613 1.008 > 8 9 H 0.81165962640732 0.62331925281464 0.20675046496175 1.008 > 9 10 H 0.37668074718536 0.18834037359268 0.20675046496175 1.008 > 10 11 H 0.04230155176125 0.52115077588062 0.60848031321613 1.008 > 11 12 H 0.47884922411938 0.95769844823875 0.60848031321613 1.008 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.255255638805229 0.000000000000000 0.000000000000000 b -4.627627819402616 8.015286501724502 0.000000000000000 c 0.000000000000000 0.000000000000000 13.859646900000000 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.42225417379302 39.098 > 1 2 K 0.50000000000000 0.00000000000000 0.42225417379302 39.098 > 1 3 K 0.00000000000000 0.50000000000000 0.42225417379302 39.098 > 1 4 K 0.50000000000000 0.50000000000000 0.42225417379302 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.92225417379302 39.098 > 1 6 K 0.50000000000000 0.00000000000000 0.92225417379302 39.098 > 1 7 K 0.00000000000000 0.50000000000000 0.92225417379302 39.098 > 1 8 K 0.50000000000000 0.50000000000000 0.92225417379302 39.098 > 1 *9 Na 0.16666666666667 0.33333333333333 0.15078578174318 22.990 > 2 10 Na 0.66666666666667 0.33333333333333 0.15078578174318 22.990 > 2 11 Na 0.16666666666667 0.83333333333333 0.15078578174318 22.990 > 2 12 Na 0.66666666666667 0.83333333333333 0.15078578174318 22.990 > 2 13 Na 0.16666666666667 0.33333333333333 0.65078578174318 22.990 > 2 14 Na 0.66666666666667 0.33333333333333 0.65078578174318 22.990 > 2 15 Na 0.16666666666667 0.83333333333333 0.65078578174318 22.990 > 2 16 Na 0.66666666666667 0.83333333333333 0.65078578174318 22.990 > 2 *17 B 0.16666666666667 0.33333333333333 0.33300214295910 10.811 > 3 18 B 0.66666666666667 0.33333333333333 0.33300214295910 10.811 > 3 19 B 0.16666666666667 0.83333333333333 0.33300214295910 10.811 > 3 20 B 0.66666666666667 0.83333333333333 0.33300214295910 10.811 > 3 21 B 0.16666666666667 0.33333333333333 0.83300214295910 10.811 > 3 22 B 0.66666666666667 0.33333333333333 0.83300214295910 10.811 > 3 23 B 0.16666666666667 0.83333333333333 0.83300214295910 10.811 > 3 24 B 0.66666666666667 0.83333333333333 0.83300214295910 10.811 > 3 *25 B 0.33333333333333 0.16666666666667 0.07277069526898 10.811 > 4 26 B 0.83333333333333 0.16666666666667 0.07277069526898 10.811 > 4 27 B 0.33333333333333 0.66666666666667 0.07277069526898 10.811 > 4 28 B 0.83333333333333 0.66666666666667 0.07277069526898 10.811 > 4 29 B 0.33333333333333 0.16666666666667 0.57277069526899 10.811 > 4 30 B 0.83333333333333 0.16666666666667 0.57277069526899 10.811 > 4 31 B 0.33333333333333 0.66666666666667 0.57277069526899 10.811 > 4 32 B 0.83333333333333 0.66666666666667 0.57277069526899 10.811 > 4 *33 H 0.16666666666667 0.33333333333333 0.42198084672104 1.008 > 5 34 H 0.66666666666667 0.33333333333333 0.42198084672104 1.008 > 5 35 H 0.16666666666667 0.83333333333333 0.42198084672104 1.008 > 5 36 H 0.66666666666667 0.83333333333333 0.42198084672104 1.008 > 5 37 H 0.16666666666667 0.33333333333333 0.92198084672104 1.008 > 5 38 H 0.66666666666667 0.33333333333333 0.92198084672104 1.008 > 5 39 H 0.16666666666667 0.83333333333333 0.92198084672104 1.008 > 5 40 H 0.66666666666667 0.83333333333333 0.92198084672104 1.008 > 5 *41 H 0.33333333333333 0.16666666666667 0.48438016224786 1.008 > 6 42 H 0.83333333333333 0.16666666666667 0.48438016224786 1.008 > 6 43 H 0.33333333333333 0.66666666666667 0.48438016224786 1.008 > 6 44 H 0.83333333333333 0.66666666666667 0.48438016224786 1.008 > 6 45 H 0.33333333333333 0.16666666666667 0.98438016224786 1.008 > 6 46 H 0.83333333333333 0.16666666666667 0.98438016224786 1.008 > 6 47 H 0.33333333333333 0.66666666666667 0.98438016224786 1.008 > 6 48 H 0.83333333333333 0.66666666666667 0.98438016224786 1.008 > 6 *49 H 0.40582981320366 0.09417018679634 0.10337523248088 1.008 > 7 50 H 0.90582981320366 0.09417018679634 0.10337523248088 1.008 > 7 51 H 0.40582981320366 0.59417018679634 0.10337523248088 1.008 > 7 52 H 0.90582981320366 0.59417018679634 0.10337523248088 1.008 > 7 53 H 0.40582981320366 0.09417018679634 0.60337523248087 1.008 > 7 54 H 0.90582981320366 0.09417018679634 0.60337523248087 1.008 > 7 55 H 0.40582981320366 0.59417018679634 0.60337523248087 1.008 > 7 56 H 0.90582981320366 0.59417018679634 0.60337523248087 1.008 > 7 *57 H 0.23942461205969 0.26057538794031 0.30424015660806 1.008 > 8 58 H 0.73942461205969 0.26057538794031 0.30424015660806 1.008 > 8 59 H 0.23942461205969 0.76057538794031 0.30424015660806 1.008 > 8 60 H 0.73942461205969 0.76057538794031 0.30424015660806 1.008 > 8 61 H 0.23942461205969 0.26057538794031 0.80424015660806 1.008 > 8 62 H 0.73942461205969 0.26057538794031 0.80424015660806 1.008 > 8 63 H 0.23942461205969 0.76057538794031 0.80424015660806 1.008 > 8 64 H 0.73942461205969 0.76057538794031 0.80424015660806 1.008 > 8 65 H 0.40582981320366 0.31165962640732 0.10337523248088 1.008 > 9 66 H 0.90582981320366 0.31165962640732 0.10337523248088 1.008 > 9 67 H 0.40582981320366 0.81165962640732 0.10337523248088 1.008 > 9 68 H 0.90582981320366 0.81165962640732 0.10337523248088 1.008 > 9 69 H 0.40582981320366 0.31165962640732 0.60337523248087 1.008 > 9 70 H 0.90582981320366 0.31165962640732 0.60337523248087 1.008 > 9 71 H 0.40582981320366 0.81165962640732 0.60337523248087 1.008 > 9 72 H 0.90582981320366 0.81165962640732 0.60337523248087 1.008 > 9 73 H 0.18834037359268 0.09417018679634 0.10337523248088 1.008 > 10 74 H 0.68834037359268 0.09417018679634 0.10337523248088 1.008 > 10 75 H 0.18834037359268 0.59417018679634 0.10337523248088 1.008 > 10 76 H 0.68834037359268 0.59417018679634 0.10337523248088 1.008 > 10 77 H 0.18834037359268 0.09417018679634 0.60337523248087 1.008 > 10 78 H 0.68834037359268 0.09417018679634 0.60337523248087 1.008 > 10 79 H 0.18834037359268 0.59417018679634 0.60337523248087 1.008 > 10 80 H 0.68834037359268 0.59417018679634 0.60337523248087 1.008 > 10 81 H 0.02115077588062 0.26057538794031 0.30424015660806 1.008 > 11 82 H 0.52115077588062 0.26057538794031 0.30424015660806 1.008 > 11 83 H 0.02115077588062 0.76057538794031 0.30424015660806 1.008 > 11 84 H 0.52115077588062 0.76057538794031 0.30424015660806 1.008 > 11 85 H 0.02115077588062 0.26057538794031 0.80424015660806 1.008 > 11 86 H 0.52115077588062 0.26057538794031 0.80424015660806 1.008 > 11 87 H 0.02115077588062 0.76057538794031 0.80424015660806 1.008 > 11 88 H 0.52115077588062 0.76057538794031 0.80424015660806 1.008 > 11 89 H 0.23942461205969 0.47884922411938 0.30424015660806 1.008 > 12 90 H 0.73942461205969 0.47884922411938 0.30424015660806 1.008 > 12 91 H 0.23942461205969 0.97884922411938 0.30424015660806 1.008 > 12 92 H 0.73942461205969 0.97884922411938 0.30424015660806 1.008 > 12 93 H 0.23942461205969 0.47884922411938 0.80424015660806 1.008 > 12 94 H 0.73942461205969 0.47884922411938 0.80424015660806 1.008 > 12 95 H 0.23942461205969 0.97884922411938 0.80424015660806 1.008 > 12 96 H 0.73942461205969 0.97884922411938 0.80424015660806 1.008 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4599145 -0.0000000 0.0000000 -0.0000000 2.4599145 0.0000000 0.0000000 0.0000000 2.3699392 -------------------------- Born effective charges -------------------------- 1 K 1.1774454 -0.0000000 0.0000000 -0.0000000 1.1774454 -0.0000000 0.0000000 0.0000000 0.9289333 2 Na 1.0104883 -0.0000000 0.0000000 -0.0000000 1.0104883 -0.0000000 0.0000000 0.0000000 1.2065735 3 B 0.0493762 -0.0000000 0.0000000 -0.0000000 0.0493762 -0.0000000 0.0000000 0.0000000 0.0055236 4 B 0.0955853 -0.0000000 0.0000000 -0.0000000 0.0955853 -0.0000000 0.0000000 0.0000000 0.0850237 5 H -0.1739956 -0.0000000 0.0000000 0.0000000 -0.1739956 -0.0000000 0.0000000 0.0000000 -0.5786987 6 H -0.1619909 -0.0000000 0.0000000 0.0000000 -0.1619909 -0.0000000 0.0000000 0.0000000 -0.4750991 7 H -0.4587996 0.1611011 -0.1189365 0.1611011 -0.2727760 0.0686680 -0.1139565 0.0657928 -0.1875527 8 H -0.3703002 0.1220259 0.0860311 0.1220259 -0.2293968 -0.0496701 0.0914357 -0.0527904 -0.2031994 9 H -0.1797642 0.0000000 0.0000000 0.0000000 -0.5518113 -0.1373360 0.0000000 -0.1315857 -0.1875527 10 H -0.4587996 -0.1611011 0.1189365 -0.1611011 -0.2727760 0.0686680 0.1139565 0.0657928 -0.1875527 11 H -0.3703002 -0.1220259 -0.0860311 -0.1220259 -0.2293968 -0.0496701 -0.0914357 -0.0527904 -0.2031994 12 H -0.1589450 -0.0000000 0.0000000 0.0000000 -0.4407519 0.0993401 -0.0000000 0.1055809 -0.2031994 ---------------------------------------------------------------------------- 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: 988 Number of blocks in projector: 732 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: 434 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 194 Use standard eigh solver. Tree of FC basis block matrices: - (988, 966), data: False |-- (194, 186), data: True |-- (360, 356), data: True |-- (434, 424), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 0.840 Solver_block: 200 / 240 - Time: 0.852 Solver_block: 240 / 240 - Time: 0.404 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.115 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 988 Number of blocks in projector: 732 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: 434 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 194 Use standard eigh solver. Tree of FC basis block matrices: - (988, 966), data: False |-- (194, 186), data: True |-- (360, 356), data: True |-- (434, 424), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:25:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:25:15]------------------------- 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: P3m1 (156) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.627627819402615 0.000000000000000 0.000000000000000 b -2.313813909701308 4.007643250862251 0.000000000000000 c 0.000000000000000 0.000000000000000 6.929823450000000 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.84450834758604 39.098 2 Na 0.33333333333333 0.66666666666667 0.30157156348635 22.990 3 B 0.33333333333333 0.66666666666667 0.66600428591820 10.811 4 B 0.66666666666667 0.33333333333333 0.14554139053797 10.811 5 H 0.33333333333333 0.66666666666667 0.84396169344207 1.008 6 H 0.66666666666667 0.33333333333333 0.96876032449572 1.008 7 H 0.81165962640732 0.18834037359268 0.20675046496175 1.008 8 H 0.47884922411938 0.52115077588062 0.60848031321613 1.008 9 H 0.81165962640732 0.62331925281464 0.20675046496175 1.008 10 H 0.37668074718536 0.18834037359268 0.20675046496175 1.008 11 H 0.04230155176125 0.52115077588062 0.60848031321613 1.008 12 H 0.47884922411938 0.95769844823875 0.60848031321613 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.255255638805229 0.000000000000000 0.000000000000000 b -4.627627819402616 8.015286501724502 0.000000000000000 c 0.000000000000000 0.000000000000000 13.859646900000000 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.42225417379302 39.098 > 1 2 K 0.50000000000000 0.00000000000000 0.42225417379302 39.098 > 1 3 K 0.00000000000000 0.50000000000000 0.42225417379302 39.098 > 1 4 K 0.50000000000000 0.50000000000000 0.42225417379302 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.92225417379302 39.098 > 1 6 K 0.50000000000000 0.00000000000000 0.92225417379302 39.098 > 1 7 K 0.00000000000000 0.50000000000000 0.92225417379302 39.098 > 1 8 K 0.50000000000000 0.50000000000000 0.92225417379302 39.098 > 1 9 Na 0.16666666666667 0.33333333333333 0.15078578174318 22.990 > 9 10 Na 0.66666666666667 0.33333333333333 0.15078578174318 22.990 > 9 11 Na 0.16666666666667 0.83333333333333 0.15078578174318 22.990 > 9 12 Na 0.66666666666667 0.83333333333333 0.15078578174318 22.990 > 9 13 Na 0.16666666666667 0.33333333333333 0.65078578174318 22.990 > 9 14 Na 0.66666666666667 0.33333333333333 0.65078578174318 22.990 > 9 15 Na 0.16666666666667 0.83333333333333 0.65078578174318 22.990 > 9 16 Na 0.66666666666667 0.83333333333333 0.65078578174318 22.990 > 9 17 B 0.16666666666667 0.33333333333333 0.33300214295910 10.811 > 17 18 B 0.66666666666667 0.33333333333333 0.33300214295910 10.811 > 17 19 B 0.16666666666667 0.83333333333333 0.33300214295910 10.811 > 17 20 B 0.66666666666667 0.83333333333333 0.33300214295910 10.811 > 17 21 B 0.16666666666667 0.33333333333333 0.83300214295910 10.811 > 17 22 B 0.66666666666667 0.33333333333333 0.83300214295910 10.811 > 17 23 B 0.16666666666667 0.83333333333333 0.83300214295910 10.811 > 17 24 B 0.66666666666667 0.83333333333333 0.83300214295910 10.811 > 17 25 B 0.33333333333333 0.16666666666667 0.07277069526898 10.811 > 25 26 B 0.83333333333333 0.16666666666667 0.07277069526898 10.811 > 25 27 B 0.33333333333333 0.66666666666667 0.07277069526898 10.811 > 25 28 B 0.83333333333333 0.66666666666667 0.07277069526898 10.811 > 25 29 B 0.33333333333333 0.16666666666667 0.57277069526899 10.811 > 25 30 B 0.83333333333333 0.16666666666667 0.57277069526899 10.811 > 25 31 B 0.33333333333333 0.66666666666667 0.57277069526899 10.811 > 25 32 B 0.83333333333333 0.66666666666667 0.57277069526899 10.811 > 25 33 H 0.16666666666667 0.33333333333333 0.42198084672104 1.008 > 33 34 H 0.66666666666667 0.33333333333333 0.42198084672104 1.008 > 33 35 H 0.16666666666667 0.83333333333333 0.42198084672104 1.008 > 33 36 H 0.66666666666667 0.83333333333333 0.42198084672104 1.008 > 33 37 H 0.16666666666667 0.33333333333333 0.92198084672104 1.008 > 33 38 H 0.66666666666667 0.33333333333333 0.92198084672104 1.008 > 33 39 H 0.16666666666667 0.83333333333333 0.92198084672104 1.008 > 33 40 H 0.66666666666667 0.83333333333333 0.92198084672104 1.008 > 33 41 H 0.33333333333333 0.16666666666667 0.48438016224786 1.008 > 41 42 H 0.83333333333333 0.16666666666667 0.48438016224786 1.008 > 41 43 H 0.33333333333333 0.66666666666667 0.48438016224786 1.008 > 41 44 H 0.83333333333333 0.66666666666667 0.48438016224786 1.008 > 41 45 H 0.33333333333333 0.16666666666667 0.98438016224786 1.008 > 41 46 H 0.83333333333333 0.16666666666667 0.98438016224786 1.008 > 41 47 H 0.33333333333333 0.66666666666667 0.98438016224786 1.008 > 41 48 H 0.83333333333333 0.66666666666667 0.98438016224786 1.008 > 41 49 H 0.40582981320366 0.09417018679634 0.10337523248088 1.008 > 49 50 H 0.90582981320366 0.09417018679634 0.10337523248088 1.008 > 49 51 H 0.40582981320366 0.59417018679634 0.10337523248088 1.008 > 49 52 H 0.90582981320366 0.59417018679634 0.10337523248088 1.008 > 49 53 H 0.40582981320366 0.09417018679634 0.60337523248087 1.008 > 49 54 H 0.90582981320366 0.09417018679634 0.60337523248087 1.008 > 49 55 H 0.40582981320366 0.59417018679634 0.60337523248087 1.008 > 49 56 H 0.90582981320366 0.59417018679634 0.60337523248087 1.008 > 49 57 H 0.23942461205969 0.26057538794031 0.30424015660806 1.008 > 57 58 H 0.73942461205969 0.26057538794031 0.30424015660806 1.008 > 57 59 H 0.23942461205969 0.76057538794031 0.30424015660806 1.008 > 57 60 H 0.73942461205969 0.76057538794031 0.30424015660806 1.008 > 57 61 H 0.23942461205969 0.26057538794031 0.80424015660806 1.008 > 57 62 H 0.73942461205969 0.26057538794031 0.80424015660806 1.008 > 57 63 H 0.23942461205969 0.76057538794031 0.80424015660806 1.008 > 57 64 H 0.73942461205969 0.76057538794031 0.80424015660806 1.008 > 57 65 H 0.40582981320366 0.31165962640732 0.10337523248088 1.008 > 65 66 H 0.90582981320366 0.31165962640732 0.10337523248088 1.008 > 65 67 H 0.40582981320366 0.81165962640732 0.10337523248088 1.008 > 65 68 H 0.90582981320366 0.81165962640732 0.10337523248088 1.008 > 65 69 H 0.40582981320366 0.31165962640732 0.60337523248087 1.008 > 65 70 H 0.90582981320366 0.31165962640732 0.60337523248087 1.008 > 65 71 H 0.40582981320366 0.81165962640732 0.60337523248087 1.008 > 65 72 H 0.90582981320366 0.81165962640732 0.60337523248087 1.008 > 65 73 H 0.18834037359268 0.09417018679634 0.10337523248088 1.008 > 73 74 H 0.68834037359268 0.09417018679634 0.10337523248088 1.008 > 73 75 H 0.18834037359268 0.59417018679634 0.10337523248088 1.008 > 73 76 H 0.68834037359268 0.59417018679634 0.10337523248088 1.008 > 73 77 H 0.18834037359268 0.09417018679634 0.60337523248087 1.008 > 73 78 H 0.68834037359268 0.09417018679634 0.60337523248087 1.008 > 73 79 H 0.18834037359268 0.59417018679634 0.60337523248087 1.008 > 73 80 H 0.68834037359268 0.59417018679634 0.60337523248087 1.008 > 73 81 H 0.02115077588062 0.26057538794031 0.30424015660806 1.008 > 81 82 H 0.52115077588062 0.26057538794031 0.30424015660806 1.008 > 81 83 H 0.02115077588062 0.76057538794031 0.30424015660806 1.008 > 81 84 H 0.52115077588062 0.76057538794031 0.30424015660806 1.008 > 81 85 H 0.02115077588062 0.26057538794031 0.80424015660806 1.008 > 81 86 H 0.52115077588062 0.26057538794031 0.80424015660806 1.008 > 81 87 H 0.02115077588062 0.76057538794031 0.80424015660806 1.008 > 81 88 H 0.52115077588062 0.76057538794031 0.80424015660806 1.008 > 81 89 H 0.23942461205969 0.47884922411938 0.30424015660806 1.008 > 89 90 H 0.73942461205969 0.47884922411938 0.30424015660806 1.008 > 89 91 H 0.23942461205969 0.97884922411938 0.30424015660806 1.008 > 89 92 H 0.73942461205969 0.97884922411938 0.30424015660806 1.008 > 89 93 H 0.23942461205969 0.47884922411938 0.80424015660806 1.008 > 89 94 H 0.73942461205969 0.47884922411938 0.80424015660806 1.008 > 89 95 H 0.23942461205969 0.97884922411938 0.80424015660806 1.008 > 89 96 H 0.73942461205969 0.97884922411938 0.80424015660806 1.008 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4599145 -0.0000000 0.0000000 -0.0000000 2.4599145 0.0000000 0.0000000 0.0000000 2.3699392 -------------------------- Born effective charges -------------------------- 1 K 1.1774454 -0.0000000 0.0000000 -0.0000000 1.1774454 -0.0000000 0.0000000 0.0000000 0.9289333 2 Na 1.0104883 -0.0000000 0.0000000 -0.0000000 1.0104883 -0.0000000 0.0000000 0.0000000 1.2065735 3 B 0.0493762 -0.0000000 0.0000000 -0.0000000 0.0493762 -0.0000000 0.0000000 0.0000000 0.0055236 4 B 0.0955853 -0.0000000 0.0000000 -0.0000000 0.0955853 -0.0000000 0.0000000 0.0000000 0.0850237 5 H -0.1739956 -0.0000000 0.0000000 0.0000000 -0.1739956 -0.0000000 0.0000000 0.0000000 -0.5786987 6 H -0.1619909 -0.0000000 0.0000000 0.0000000 -0.1619909 -0.0000000 0.0000000 0.0000000 -0.4750991 7 H -0.4587996 0.1611011 -0.1189365 0.1611011 -0.2727760 0.0686680 -0.1139565 0.0657928 -0.1875527 8 H -0.3703002 0.1220259 0.0860311 0.1220259 -0.2293968 -0.0496701 0.0914357 -0.0527904 -0.2031994 9 H -0.1797642 0.0000000 0.0000000 0.0000000 -0.5518113 -0.1373360 0.0000000 -0.1315857 -0.1875527 10 H -0.4587996 -0.1611011 0.1189365 -0.1611011 -0.2727760 0.0686680 0.1139565 0.0657928 -0.1875527 11 H -0.3703002 -0.1220259 -0.0860311 -0.1220259 -0.2293968 -0.0496701 -0.0914357 -0.0527904 -0.2031994 12 H -0.1589450 -0.0000000 0.0000000 0.0000000 -0.4407519 0.0993401 -0.0000000 0.1055809 -0.2031994 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000068 (xxy) 0.00000068 (xxy) 0.00000068 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (zy) -0.00000004 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:25:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:25:29]------------------------- 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: P3m1 (156) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.627627819402615 0.000000000000000 0.000000000000000 b -2.313813909701308 4.007643250862251 0.000000000000000 c 0.000000000000000 0.000000000000000 6.929823450000000 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.84450834758604 39.098 2 Na 0.33333333333333 0.66666666666667 0.30157156348635 22.990 3 B 0.33333333333333 0.66666666666667 0.66600428591820 10.811 4 B 0.66666666666667 0.33333333333333 0.14554139053797 10.811 5 H 0.33333333333333 0.66666666666667 0.84396169344207 1.008 6 H 0.66666666666667 0.33333333333333 0.96876032449572 1.008 7 H 0.81165962640732 0.18834037359268 0.20675046496175 1.008 8 H 0.47884922411938 0.52115077588062 0.60848031321613 1.008 9 H 0.81165962640732 0.62331925281464 0.20675046496175 1.008 10 H 0.37668074718536 0.18834037359268 0.20675046496175 1.008 11 H 0.04230155176125 0.52115077588062 0.60848031321613 1.008 12 H 0.47884922411938 0.95769844823875 0.60848031321613 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.255255638805229 0.000000000000000 0.000000000000000 b -4.627627819402616 8.015286501724502 0.000000000000000 c 0.000000000000000 0.000000000000000 13.859646900000000 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.42225417379302 39.098 > 1 2 K 0.50000000000000 0.00000000000000 0.42225417379302 39.098 > 1 3 K 0.00000000000000 0.50000000000000 0.42225417379302 39.098 > 1 4 K 0.50000000000000 0.50000000000000 0.42225417379302 39.098 > 1 5 K 0.00000000000000 0.00000000000000 0.92225417379302 39.098 > 1 6 K 0.50000000000000 0.00000000000000 0.92225417379302 39.098 > 1 7 K 0.00000000000000 0.50000000000000 0.92225417379302 39.098 > 1 8 K 0.50000000000000 0.50000000000000 0.92225417379302 39.098 > 1 9 Na 0.16666666666667 0.33333333333333 0.15078578174318 22.990 > 9 10 Na 0.66666666666667 0.33333333333333 0.15078578174318 22.990 > 9 11 Na 0.16666666666667 0.83333333333333 0.15078578174318 22.990 > 9 12 Na 0.66666666666667 0.83333333333333 0.15078578174318 22.990 > 9 13 Na 0.16666666666667 0.33333333333333 0.65078578174318 22.990 > 9 14 Na 0.66666666666667 0.33333333333333 0.65078578174318 22.990 > 9 15 Na 0.16666666666667 0.83333333333333 0.65078578174318 22.990 > 9 16 Na 0.66666666666667 0.83333333333333 0.65078578174318 22.990 > 9 17 B 0.16666666666667 0.33333333333333 0.33300214295910 10.811 > 17 18 B 0.66666666666667 0.33333333333333 0.33300214295910 10.811 > 17 19 B 0.16666666666667 0.83333333333333 0.33300214295910 10.811 > 17 20 B 0.66666666666667 0.83333333333333 0.33300214295910 10.811 > 17 21 B 0.16666666666667 0.33333333333333 0.83300214295910 10.811 > 17 22 B 0.66666666666667 0.33333333333333 0.83300214295910 10.811 > 17 23 B 0.16666666666667 0.83333333333333 0.83300214295910 10.811 > 17 24 B 0.66666666666667 0.83333333333333 0.83300214295910 10.811 > 17 25 B 0.33333333333333 0.16666666666667 0.07277069526898 10.811 > 25 26 B 0.83333333333333 0.16666666666667 0.07277069526898 10.811 > 25 27 B 0.33333333333333 0.66666666666667 0.07277069526898 10.811 > 25 28 B 0.83333333333333 0.66666666666667 0.07277069526898 10.811 > 25 29 B 0.33333333333333 0.16666666666667 0.57277069526899 10.811 > 25 30 B 0.83333333333333 0.16666666666667 0.57277069526899 10.811 > 25 31 B 0.33333333333333 0.66666666666667 0.57277069526899 10.811 > 25 32 B 0.83333333333333 0.66666666666667 0.57277069526899 10.811 > 25 33 H 0.16666666666667 0.33333333333333 0.42198084672104 1.008 > 33 34 H 0.66666666666667 0.33333333333333 0.42198084672104 1.008 > 33 35 H 0.16666666666667 0.83333333333333 0.42198084672104 1.008 > 33 36 H 0.66666666666667 0.83333333333333 0.42198084672104 1.008 > 33 37 H 0.16666666666667 0.33333333333333 0.92198084672104 1.008 > 33 38 H 0.66666666666667 0.33333333333333 0.92198084672104 1.008 > 33 39 H 0.16666666666667 0.83333333333333 0.92198084672104 1.008 > 33 40 H 0.66666666666667 0.83333333333333 0.92198084672104 1.008 > 33 41 H 0.33333333333333 0.16666666666667 0.48438016224786 1.008 > 41 42 H 0.83333333333333 0.16666666666667 0.48438016224786 1.008 > 41 43 H 0.33333333333333 0.66666666666667 0.48438016224786 1.008 > 41 44 H 0.83333333333333 0.66666666666667 0.48438016224786 1.008 > 41 45 H 0.33333333333333 0.16666666666667 0.98438016224786 1.008 > 41 46 H 0.83333333333333 0.16666666666667 0.98438016224786 1.008 > 41 47 H 0.33333333333333 0.66666666666667 0.98438016224786 1.008 > 41 48 H 0.83333333333333 0.66666666666667 0.98438016224786 1.008 > 41 49 H 0.40582981320366 0.09417018679634 0.10337523248088 1.008 > 49 50 H 0.90582981320366 0.09417018679634 0.10337523248088 1.008 > 49 51 H 0.40582981320366 0.59417018679634 0.10337523248088 1.008 > 49 52 H 0.90582981320366 0.59417018679634 0.10337523248088 1.008 > 49 53 H 0.40582981320366 0.09417018679634 0.60337523248087 1.008 > 49 54 H 0.90582981320366 0.09417018679634 0.60337523248087 1.008 > 49 55 H 0.40582981320366 0.59417018679634 0.60337523248087 1.008 > 49 56 H 0.90582981320366 0.59417018679634 0.60337523248087 1.008 > 49 57 H 0.23942461205969 0.26057538794031 0.30424015660806 1.008 > 57 58 H 0.73942461205969 0.26057538794031 0.30424015660806 1.008 > 57 59 H 0.23942461205969 0.76057538794031 0.30424015660806 1.008 > 57 60 H 0.73942461205969 0.76057538794031 0.30424015660806 1.008 > 57 61 H 0.23942461205969 0.26057538794031 0.80424015660806 1.008 > 57 62 H 0.73942461205969 0.26057538794031 0.80424015660806 1.008 > 57 63 H 0.23942461205969 0.76057538794031 0.80424015660806 1.008 > 57 64 H 0.73942461205969 0.76057538794031 0.80424015660806 1.008 > 57 65 H 0.40582981320366 0.31165962640732 0.10337523248088 1.008 > 65 66 H 0.90582981320366 0.31165962640732 0.10337523248088 1.008 > 65 67 H 0.40582981320366 0.81165962640732 0.10337523248088 1.008 > 65 68 H 0.90582981320366 0.81165962640732 0.10337523248088 1.008 > 65 69 H 0.40582981320366 0.31165962640732 0.60337523248087 1.008 > 65 70 H 0.90582981320366 0.31165962640732 0.60337523248087 1.008 > 65 71 H 0.40582981320366 0.81165962640732 0.60337523248087 1.008 > 65 72 H 0.90582981320366 0.81165962640732 0.60337523248087 1.008 > 65 73 H 0.18834037359268 0.09417018679634 0.10337523248088 1.008 > 73 74 H 0.68834037359268 0.09417018679634 0.10337523248088 1.008 > 73 75 H 0.18834037359268 0.59417018679634 0.10337523248088 1.008 > 73 76 H 0.68834037359268 0.59417018679634 0.10337523248088 1.008 > 73 77 H 0.18834037359268 0.09417018679634 0.60337523248087 1.008 > 73 78 H 0.68834037359268 0.09417018679634 0.60337523248087 1.008 > 73 79 H 0.18834037359268 0.59417018679634 0.60337523248087 1.008 > 73 80 H 0.68834037359268 0.59417018679634 0.60337523248087 1.008 > 73 81 H 0.02115077588062 0.26057538794031 0.30424015660806 1.008 > 81 82 H 0.52115077588062 0.26057538794031 0.30424015660806 1.008 > 81 83 H 0.02115077588062 0.76057538794031 0.30424015660806 1.008 > 81 84 H 0.52115077588062 0.76057538794031 0.30424015660806 1.008 > 81 85 H 0.02115077588062 0.26057538794031 0.80424015660806 1.008 > 81 86 H 0.52115077588062 0.26057538794031 0.80424015660806 1.008 > 81 87 H 0.02115077588062 0.76057538794031 0.80424015660806 1.008 > 81 88 H 0.52115077588062 0.76057538794031 0.80424015660806 1.008 > 81 89 H 0.23942461205969 0.47884922411938 0.30424015660806 1.008 > 89 90 H 0.73942461205969 0.47884922411938 0.30424015660806 1.008 > 89 91 H 0.23942461205969 0.97884922411938 0.30424015660806 1.008 > 89 92 H 0.73942461205969 0.97884922411938 0.30424015660806 1.008 > 89 93 H 0.23942461205969 0.47884922411938 0.80424015660806 1.008 > 89 94 H 0.73942461205969 0.47884922411938 0.80424015660806 1.008 > 89 95 H 0.23942461205969 0.97884922411938 0.80424015660806 1.008 > 89 96 H 0.73942461205969 0.97884922411938 0.80424015660806 1.008 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4599145 -0.0000000 0.0000000 -0.0000000 2.4599145 0.0000000 0.0000000 0.0000000 2.3699392 -------------------------- Born effective charges -------------------------- 1 K 1.1774454 -0.0000000 0.0000000 -0.0000000 1.1774454 -0.0000000 0.0000000 0.0000000 0.9289333 2 Na 1.0104883 -0.0000000 0.0000000 -0.0000000 1.0104883 -0.0000000 0.0000000 0.0000000 1.2065735 3 B 0.0493762 -0.0000000 0.0000000 -0.0000000 0.0493762 -0.0000000 0.0000000 0.0000000 0.0055236 4 B 0.0955853 -0.0000000 0.0000000 -0.0000000 0.0955853 -0.0000000 0.0000000 0.0000000 0.0850237 5 H -0.1739956 -0.0000000 0.0000000 0.0000000 -0.1739956 -0.0000000 0.0000000 0.0000000 -0.5786987 6 H -0.1619909 -0.0000000 0.0000000 0.0000000 -0.1619909 -0.0000000 0.0000000 0.0000000 -0.4750991 7 H -0.4587996 0.1611011 -0.1189365 0.1611011 -0.2727760 0.0686680 -0.1139565 0.0657928 -0.1875527 8 H -0.3703002 0.1220259 0.0860311 0.1220259 -0.2293968 -0.0496701 0.0914357 -0.0527904 -0.2031994 9 H -0.1797642 0.0000000 0.0000000 0.0000000 -0.5518113 -0.1373360 0.0000000 -0.1315857 -0.1875527 10 H -0.4587996 -0.1611011 0.1189365 -0.1611011 -0.2727760 0.0686680 0.1139565 0.0657928 -0.1875527 11 H -0.3703002 -0.1220259 -0.0860311 -0.1220259 -0.2293968 -0.0496701 -0.0914357 -0.0527904 -0.2031994 12 H -0.1589450 -0.0000000 0.0000000 0.0000000 -0.4407519 0.0993401 -0.0000000 0.1055809 -0.2031994 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000068 (xxy) 0.00000068 (xxy) 0.00000068 (xyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.82, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/112) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 -0.000 0.000) 0.000 8.208 ( -0.000 -0.000 -0.000) 0.000 8.601 ( 0.000 0.000 0.000) 0.000 8.601 ( 0.000 0.000 0.000) 0.000 11.897 ( 0.000 0.000 0.000) 0.000 11.897 ( 0.000 0.000 -0.000) 0.000 11.965 ( 0.000 0.000 0.000) 0.000 30.782 ( 0.000 -0.000 -0.000) 0.000 32.230 ( 0.000 0.000 0.000) 0.000 32.230 ( 0.000 0.000 0.000) 0.000 32.643 ( 0.000 0.000 0.000) 0.000 32.643 ( 0.000 0.000 0.000) 0.000 32.977 ( 0.000 0.000 0.000) 0.000 36.686 ( 0.000 0.000 0.000) 0.000 36.686 ( 0.000 0.000 0.000) 0.000 36.824 ( 0.000 0.000 -0.000) 0.000 36.824 ( 0.000 0.000 0.000) 0.000 68.294 ( 0.000 0.000 -0.000) 0.000 68.560 ( 0.000 0.000 0.000) 0.000 69.553 ( -0.000 0.000 0.000) 0.000 69.553 ( 0.000 0.000 0.000) 0.000 70.512 ( 0.000 0.000 0.000) 0.000 70.834 ( 0.000 0.000 0.000) 0.000 70.834 ( 0.000 0.000 -0.000) 0.000 72.419 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/112) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 19.599 11.316 -7.004) 23.690 0.547 ( 22.505 12.993 -2.317) 26.090 1.150 ( 46.583 26.895 6.604) 54.193 2.393 ( 4.813 2.779 0.074) 5.558 2.558 ( 15.961 9.215 -0.392) 18.434 4.256 ( -3.448 -1.991 0.355) 3.997 5.559 ( -3.663 -2.115 0.359) 4.245 5.931 ( -0.726 -0.419 -1.265) 1.518 6.116 ( 4.859 2.805 2.158) 6.012 6.339 ( 1.209 0.698 1.361) 1.950 7.680 ( 3.085 1.781 0.008) 3.562 8.185 ( -2.102 -1.214 18.637) 18.794 8.230 ( -3.386 -1.955 -21.549) 21.901 8.601 ( -0.040 -0.023 0.053) 0.070 8.654 ( 1.498 0.865 0.578) 1.824 11.894 ( -0.099 -0.057 -0.119) 0.165 11.927 ( -0.475 -0.274 0.015) 0.549 12.037 ( 5.630 3.251 -0.024) 6.501 30.774 ( -0.701 -0.405 -0.010) 0.810 32.223 ( -0.624 -0.360 0.024) 0.720 32.315 ( -0.045 -0.026 0.013) 0.054 32.639 ( -0.329 -0.190 0.012) 0.380 32.735 ( -0.047 -0.027 -0.041) 0.068 32.968 ( -0.693 -0.400 -0.015) 0.801 36.683 ( -0.224 -0.129 0.052) 0.264 36.696 ( 0.165 0.095 0.030) 0.193 36.819 ( -0.371 -0.214 -0.024) 0.430 36.824 ( -0.069 -0.040 -0.038) 0.088 68.289 ( -0.368 -0.213 0.061) 0.430 68.559 ( -0.060 -0.035 0.009) 0.070 69.554 ( 0.159 0.092 -0.003) 0.184 69.936 ( 1.945 1.123 -0.126) 2.249 70.504 ( -0.631 -0.364 0.039) 0.729 70.835 ( 0.088 0.051 -0.012) 0.102 71.171 ( 0.423 0.244 -0.000) 0.488 72.404 ( -1.174 -0.678 0.038) 1.356 ======================= Grid point 2 (3/112) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 21.117 12.192 -7.711) 25.575 1.073 ( 21.158 12.216 -2.456) 24.555 2.203 ( 40.216 23.219 6.269) 46.859 2.548 ( 7.688 4.439 0.394) 8.887 3.025 ( 21.321 12.310 -1.190) 24.648 4.141 ( -5.792 -3.344 1.039) 6.769 5.440 ( -6.022 -3.477 0.756) 6.995 5.907 ( -1.274 -0.736 -2.022) 2.501 6.276 ( 8.055 4.651 4.019) 10.132 6.369 ( 1.057 0.610 2.100) 2.429 7.787 ( 5.681 3.280 0.047) 6.561 8.074 ( -6.994 -4.038 16.288) 18.180 8.155 ( -2.605 -1.504 -21.056) 21.269 8.599 ( -0.107 -0.062 0.098) 0.158 8.707 ( 2.807 1.620 0.541) 3.286 11.894 ( 0.143 0.082 -0.197) 0.257 11.911 ( -0.890 -0.514 -0.002) 1.027 12.223 ( 9.612 5.549 -0.054) 11.099 30.750 ( -1.190 -0.687 -0.011) 1.375 32.202 ( -1.098 -0.634 0.044) 1.268 32.314 ( -0.086 -0.049 0.012) 0.100 32.627 ( -0.584 -0.337 0.018) 0.674 32.734 ( -0.104 -0.060 -0.064) 0.135 32.945 ( -1.166 -0.673 -0.025) 1.346 36.676 ( -0.398 -0.230 0.092) 0.469 36.701 ( 0.235 0.136 0.073) 0.281 36.806 ( -0.643 -0.371 -0.044) 0.744 36.822 ( -0.091 -0.053 -0.091) 0.139 68.278 ( -0.516 -0.298 0.090) 0.603 68.557 ( -0.116 -0.067 0.020) 0.135 69.560 ( 0.278 0.161 -0.004) 0.321 70.000 ( 3.260 1.882 -0.272) 3.774 70.484 ( -0.978 -0.564 0.152) 1.139 70.838 ( 0.152 0.088 -0.022) 0.177 71.185 ( 0.617 0.356 -0.029) 0.712 72.365 ( -2.024 -1.168 0.073) 2.338 ======================= Grid point 3 (4/112) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 20.534 11.855 -8.417) 25.160 1.552 ( 18.509 10.686 -2.644) 21.535 2.741 ( 7.941 4.585 0.970) 9.221 3.012 ( 25.078 14.479 3.208) 29.135 3.536 ( 20.380 11.766 0.699) 23.543 4.012 ( -3.117 -1.800 1.733) 3.995 5.287 ( -6.314 -3.645 1.064) 7.368 5.871 ( -1.686 -0.973 -2.220) 2.952 6.383 ( 0.086 0.050 2.175) 2.177 6.485 ( 8.934 5.158 5.145) 11.528 7.878 ( -8.998 -5.195 4.133) 11.182 7.941 ( 6.750 3.897 0.094) 7.795 8.095 ( -2.352 -1.358 -9.632) 10.008 8.597 ( -0.023 -0.014 0.130) 0.132 8.784 ( 3.553 2.051 0.177) 4.106 11.886 ( -1.129 -0.652 -0.052) 1.305 11.899 ( 0.224 0.129 -0.235) 0.349 12.479 ( 11.235 6.487 -0.060) 12.973 30.719 ( -1.340 -0.773 -0.006) 1.547 32.172 ( -1.295 -0.748 0.053) 1.497 32.311 ( -0.117 -0.067 -0.001) 0.135 32.612 ( -0.697 -0.403 0.019) 0.805 32.730 ( -0.150 -0.087 -0.064) 0.185 32.915 ( -1.289 -0.744 -0.026) 1.489 36.665 ( -0.474 -0.274 0.109) 0.558 36.706 ( 0.193 0.112 0.118) 0.252 36.789 ( -0.743 -0.429 -0.053) 0.860 36.820 ( -0.060 -0.035 -0.146) 0.161 68.266 ( -0.435 -0.251 0.081) 0.509 68.554 ( -0.154 -0.089 0.030) 0.180 69.567 ( 0.324 0.187 -0.003) 0.374 70.085 ( 3.646 2.105 -0.447) 4.234 70.460 ( -0.999 -0.577 0.348) 1.205 70.842 ( 0.176 0.101 -0.027) 0.204 71.199 ( 0.562 0.325 -0.073) 0.653 72.312 ( -2.325 -1.343 0.100) 2.687 ======================= Grid point 4 (5/112) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 18.005 10.395 -8.314) 22.391 1.949 ( 14.198 8.197 -2.590) 16.598 2.912 ( 6.030 3.482 1.452) 7.113 3.348 ( 3.644 2.104 -3.389) 5.403 3.788 ( 1.301 0.751 10.197) 10.307 4.233 ( 19.822 11.444 -1.632) 22.947 5.156 ( -4.279 -2.470 1.335) 5.118 5.829 ( -1.724 -0.995 -1.884) 2.740 6.376 ( -0.601 -0.347 1.730) 1.864 6.685 ( 7.390 4.267 5.064) 9.923 7.661 ( -8.672 -5.007 -0.478) 10.024 8.046 ( -1.658 -0.957 -4.759) 5.130 8.093 ( 5.558 3.209 0.101) 6.418 8.601 ( 0.387 0.224 0.133) 0.467 8.870 ( 3.360 1.940 -0.085) 3.881 11.859 ( -1.063 -0.613 -0.094) 1.231 11.904 ( 0.205 0.118 -0.214) 0.319 12.738 ( 9.825 5.672 -0.048) 11.345 30.689 ( -1.133 -0.654 0.000) 1.309 32.142 ( -1.146 -0.662 0.048) 1.325 32.308 ( -0.123 -0.071 -0.012) 0.142 32.595 ( -0.625 -0.361 0.014) 0.721 32.727 ( -0.153 -0.088 -0.050) 0.183 32.886 ( -1.066 -0.615 -0.019) 1.231 36.654 ( -0.422 -0.244 0.096) 0.497 36.710 ( 0.104 0.060 0.131) 0.177 36.772 ( -0.645 -0.372 -0.048) 0.746 36.819 ( -0.015 -0.008 -0.162) 0.163 68.258 ( -0.261 -0.151 0.052) 0.306 68.550 ( -0.152 -0.088 0.033) 0.178 69.575 ( 0.283 0.164 -0.001) 0.327 70.168 ( 3.125 1.804 -0.597) 3.658 70.438 ( -0.817 -0.472 0.537) 1.085 70.846 ( 0.152 0.088 -0.025) 0.177 71.210 ( 0.379 0.219 -0.096) 0.448 72.258 ( -2.008 -1.159 0.103) 2.321 ======================= Grid point 5 (6/112) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 7.938 4.583 -1.778) 9.337 2.279 ( 12.393 7.155 -6.163) 15.581 3.021 ( 3.035 1.752 1.219) 3.711 3.303 ( -4.539 -2.621 -1.566) 5.470 3.802 ( 0.058 0.034 6.066) 6.066 4.658 ( 13.415 7.745 -0.992) 15.522 5.085 ( -1.785 -1.031 1.603) 2.612 5.794 ( -1.124 -0.649 -1.081) 1.689 6.360 ( -0.560 -0.323 0.941) 1.142 6.826 ( 4.116 2.377 3.439) 5.867 7.483 ( -5.646 -3.260 -1.683) 6.733 8.017 ( -0.781 -0.451 -1.922) 2.123 8.195 ( 2.809 1.622 0.063) 3.244 8.615 ( 0.643 0.371 0.088) 0.747 8.937 ( 2.073 1.197 -0.117) 2.396 11.838 ( -0.648 -0.374 -0.077) 0.753 11.908 ( 0.119 0.069 -0.128) 0.188 12.929 ( 5.697 3.289 -0.026) 6.579 30.667 ( -0.644 -0.372 0.002) 0.744 32.120 ( -0.672 -0.388 0.028) 0.777 32.306 ( -0.082 -0.047 -0.011) 0.095 32.583 ( -0.370 -0.213 0.007) 0.427 32.724 ( -0.096 -0.056 -0.027) 0.114 32.866 ( -0.593 -0.342 -0.008) 0.685 36.646 ( -0.248 -0.143 0.056) 0.292 36.711 ( 0.035 0.020 0.087) 0.096 36.760 ( -0.373 -0.215 -0.028) 0.432 36.819 ( 0.006 0.003 -0.108) 0.108 68.254 ( -0.108 -0.062 0.023) 0.127 68.547 ( -0.096 -0.055 0.022) 0.113 69.580 ( 0.165 0.095 -0.000) 0.190 70.229 ( 1.845 1.065 -0.520) 2.193 70.422 ( -0.503 -0.290 0.494) 0.762 70.849 ( 0.088 0.051 -0.015) 0.102 71.217 ( 0.179 0.103 -0.069) 0.218 72.219 ( -1.159 -0.669 0.068) 1.340 ======================= Grid point 6 (7/112) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 -0.000) 0.000 3.231 ( 0.000 0.000 -0.000) 0.000 3.799 ( 0.000 0.000 -0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 -0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 7.411 ( 0.000 0.000 -0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 -0.000) 0.000 8.624 ( 0.000 0.000 0.000) 0.000 8.963 ( 0.000 0.000 0.000) 0.000 11.830 ( 0.000 0.000 -0.000) 0.000 11.910 ( 0.000 0.000 0.000) 0.000 12.999 ( 0.000 0.000 -0.000) 0.000 30.659 ( 0.000 0.000 -0.000) 0.000 32.111 ( 0.000 0.000 -0.000) 0.000 32.305 ( 0.000 0.000 0.000) 0.000 32.579 ( 0.000 0.000 0.000) 0.000 32.722 ( 0.000 0.000 -0.000) 0.000 32.859 ( 0.000 0.000 0.000) 0.000 36.643 ( 0.000 0.000 -0.000) 0.000 36.712 ( 0.000 0.000 -0.000) 0.000 36.755 ( 0.000 0.000 0.000) 0.000 36.819 ( 0.000 0.000 0.000) 0.000 68.252 ( 0.000 0.000 -0.000) 0.000 68.546 ( 0.000 0.000 0.000) 0.000 69.582 ( 0.000 0.000 0.000) 0.000 70.252 ( 0.000 0.000 0.000) 0.000 70.416 ( 0.000 0.000 -0.000) 0.000 70.850 ( 0.000 0.000 -0.000) 0.000 71.219 ( 0.000 0.000 0.000) 0.000 72.205 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/112) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 11.144 19.302 0.000) 22.288 1.101 ( 14.737 25.524 0.000) 29.473 1.872 ( 23.586 40.853 0.000) 47.173 2.515 ( 4.993 8.648 0.000) 9.986 2.874 ( 11.217 19.428 0.000) 22.433 4.176 ( -3.121 -5.407 0.000) 6.243 5.476 ( -3.263 -5.652 0.000) 6.526 5.940 ( 0.398 0.690 0.000) 0.796 6.177 ( 2.089 3.618 0.000) 4.178 6.402 ( 2.739 4.743 0.000) 5.477 7.743 ( 2.353 4.076 0.000) 4.706 8.125 ( -3.225 -5.585 0.000) 6.449 8.162 ( -1.778 -3.079 0.000) 3.556 8.604 ( 0.184 0.319 0.000) 0.369 8.685 ( 1.201 2.080 0.000) 2.402 11.893 ( 0.002 0.003 0.000) 0.003 11.917 ( -0.403 -0.698 0.000) 0.806 12.165 ( 5.046 8.739 0.000) 10.091 30.758 ( -0.629 -1.090 0.000) 1.259 32.208 ( -0.560 -0.970 0.000) 1.120 32.314 ( -0.058 -0.100 0.000) 0.116 32.631 ( -0.298 -0.516 0.000) 0.596 32.734 ( -0.056 -0.096 0.000) 0.111 32.952 ( -0.620 -1.075 0.000) 1.241 36.680 ( -0.150 -0.259 0.000) 0.299 36.698 ( 0.076 0.132 0.000) 0.152 36.811 ( -0.313 -0.542 0.000) 0.625 36.822 ( -0.081 -0.140 0.000) 0.162 68.281 ( -0.297 -0.514 0.000) 0.594 68.558 ( -0.062 -0.108 0.000) 0.124 69.559 ( 0.175 0.302 0.000) 0.349 69.980 ( 1.706 2.954 0.000) 3.411 70.491 ( -0.532 -0.921 0.000) 1.064 70.838 ( 0.099 0.172 0.000) 0.199 71.180 ( 0.327 0.567 0.000) 0.654 72.377 ( -1.065 -1.845 0.000) 2.131 ======================= Grid point 15 (9/112) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 17.215 14.694 -3.114) 22.846 1.577 ( 8.926 26.661 -3.117) 28.288 2.649 ( 17.185 14.941 1.989) 22.859 2.780 ( 15.604 21.563 1.684) 26.670 3.307 ( 16.898 13.725 -0.608) 21.778 4.048 ( -4.202 -5.094 0.914) 6.667 5.338 ( -4.898 -6.033 0.510) 7.787 5.943 ( -2.736 3.875 -1.776) 5.065 6.275 ( 6.402 -0.710 2.450) 6.892 6.514 ( 1.547 9.053 2.121) 9.426 7.818 ( 2.298 -3.029 0.157) 3.805 7.995 ( -3.707 -1.059 4.584) 5.990 8.104 ( -1.413 -2.988 -7.729) 8.406 8.611 ( -0.347 1.216 0.039) 1.265 8.741 ( 2.859 1.722 0.184) 3.343 11.891 ( -0.205 -0.502 -0.062) 0.545 11.901 ( -0.449 -0.273 -0.078) 0.531 12.385 ( 8.283 9.576 -0.033) 12.661 30.731 ( -1.005 -1.166 -0.004) 1.540 32.184 ( -0.962 -1.013 0.028) 1.397 32.311 ( -0.072 -0.184 0.002) 0.198 32.618 ( -0.521 -0.568 0.011) 0.770 32.731 ( -0.096 -0.136 -0.036) 0.171 32.926 ( -0.976 -1.153 -0.015) 1.511 36.672 ( -0.444 -0.160 0.058) 0.475 36.701 ( 0.254 -0.053 0.055) 0.265 36.797 ( -0.579 -0.489 -0.025) 0.758 36.819 ( -0.026 -0.228 -0.072) 0.240 68.270 ( -0.361 -0.463 0.047) 0.590 68.555 ( -0.107 -0.151 0.014) 0.186 69.566 ( 0.222 0.459 -0.001) 0.510 70.053 ( 2.753 3.028 -0.207) 4.097 70.469 ( -0.774 -0.903 0.147) 1.198 70.842 ( 0.120 0.279 -0.014) 0.304 71.193 ( 0.466 0.436 -0.031) 0.639 72.331 ( -1.732 -2.012 0.050) 2.655 ======================= Grid point 16 (10/112) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 18.021 10.957 -4.566) 21.579 1.981 ( 6.977 23.003 -3.989) 24.367 2.907 ( 4.391 11.096 1.201) 11.994 3.262 ( 10.058 8.389 -1.285) 13.160 3.723 ( 11.186 5.640 6.455) 14.093 4.020 ( 9.679 3.812 -1.123) 10.463 5.192 ( -4.272 -5.215 0.867) 6.797 5.924 ( -4.866 5.790 -2.178) 7.870 6.363 ( 3.530 -0.295 2.317) 4.233 6.647 ( 2.972 8.546 4.176) 9.965 7.689 ( -4.362 -11.404 -0.424) 12.217 8.037 ( 1.047 0.560 0.562) 1.314 8.065 ( 1.543 2.137 -4.565) 5.271 8.618 ( -0.724 1.911 0.119) 2.048 8.819 ( 3.809 1.216 -0.026) 3.998 11.871 ( -0.964 -0.701 -0.057) 1.193 11.900 ( 0.210 -0.110 -0.177) 0.296 12.640 ( 8.953 8.537 -0.041) 12.370 30.700 ( -1.042 -1.027 -0.001) 1.464 32.155 ( -1.091 -0.828 0.039) 1.370 32.308 ( -0.051 -0.269 -0.007) 0.274 32.602 ( -0.582 -0.531 0.012) 0.789 32.728 ( -0.119 -0.137 -0.042) 0.186 32.896 ( -0.980 -1.037 -0.017) 1.427 36.661 ( -0.548 -0.074 0.077) 0.558 36.705 ( 0.275 -0.221 0.100) 0.366 36.781 ( -0.682 -0.315 -0.033) 0.752 36.817 ( 0.080 -0.285 -0.128) 0.323 68.260 ( -0.252 -0.346 0.048) 0.430 68.551 ( -0.119 -0.181 0.024) 0.218 69.575 ( 0.152 0.587 0.000) 0.606 70.135 ( 2.938 2.535 -0.411) 3.902 70.446 ( -0.749 -0.755 0.353) 1.121 70.847 ( 0.067 0.385 -0.019) 0.391 71.205 ( 0.434 0.202 -0.069) 0.484 72.278 ( -1.832 -1.815 0.079) 2.580 ======================= Grid point 17 (11/112) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 15.165 7.647 -4.419) 17.550 2.292 ( 4.082 16.685 -3.647) 17.560 3.061 ( 0.265 10.154 1.318) 10.242 3.338 ( -1.756 -2.040 -2.998) 4.029 3.804 ( 0.455 1.310 7.610) 7.735 4.427 ( 19.470 6.589 -0.985) 20.578 5.089 ( -1.799 -3.917 1.160) 4.463 5.893 ( -5.622 6.739 -1.618) 8.924 6.397 ( -0.666 2.296 1.534) 2.841 6.779 ( 3.584 4.382 4.239) 7.072 7.502 ( -3.486 -9.456 -2.032) 10.281 8.010 ( -0.223 -2.178 -2.287) 3.166 8.169 ( 3.111 3.646 0.029) 4.793 8.627 ( -0.575 2.074 0.129) 2.156 8.895 ( 3.415 0.491 -0.137) 3.452 11.848 ( -0.881 -0.427 -0.078) 0.982 11.903 ( 0.312 -0.295 -0.146) 0.454 12.862 ( 6.791 5.872 -0.031) 8.978 30.674 ( -0.755 -0.723 0.002) 1.045 32.130 ( -0.897 -0.459 0.033) 1.008 32.304 ( 0.010 -0.320 -0.012) 0.321 32.587 ( -0.443 -0.404 0.009) 0.599 32.725 ( -0.104 -0.093 -0.031) 0.143 32.871 ( -0.664 -0.778 -0.011) 1.023 36.652 ( -0.473 0.037 0.062) 0.478 36.707 ( 0.247 -0.351 0.096) 0.440 36.768 ( -0.590 -0.069 -0.024) 0.595 36.816 ( 0.161 -0.313 -0.125) 0.373 68.254 ( -0.097 -0.238 0.029) 0.259 68.547 ( -0.079 -0.181 0.024) 0.198 69.583 ( -0.009 0.641 0.001) 0.641 70.205 ( 2.290 1.649 -0.509) 2.868 70.427 ( -0.555 -0.556 0.474) 0.918 70.852 ( -0.046 0.457 -0.016) 0.460 71.213 ( 0.328 -0.027 -0.074) 0.337 72.232 ( -1.347 -1.310 0.074) 1.880 ======================= Grid point 18 (12/112) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 6.293 4.529 -2.033) 8.016 2.458 ( 0.232 7.373 -1.626) 7.554 3.123 ( -2.427 5.873 0.481) 6.373 3.270 ( -3.577 1.742 -0.488) 4.008 3.813 ( -0.796 1.478 2.647) 3.134 4.729 ( 9.663 -0.996 -0.604) 9.733 5.043 ( 0.415 -2.885 0.901) 3.050 5.869 ( -5.055 7.338 -0.582) 8.929 6.399 ( -2.174 3.632 0.569) 4.271 6.853 ( 1.898 0.230 1.836) 2.651 7.389 ( -0.251 -5.246 -1.219) 5.391 7.993 ( 0.490 -1.654 -0.733) 1.874 8.233 ( 0.717 1.870 0.043) 2.003 8.637 ( -0.571 1.662 0.053) 1.758 8.943 ( 1.788 -0.605 -0.068) 1.889 11.833 ( -0.404 -0.054 -0.037) 0.409 11.905 ( 0.301 -0.426 -0.056) 0.524 12.990 ( 2.332 2.415 -0.011) 3.358 30.659 ( -0.229 -0.338 0.001) 0.408 32.115 ( -0.417 -0.018 0.013) 0.418 32.302 ( 0.111 -0.313 -0.006) 0.332 32.579 ( -0.135 -0.203 0.003) 0.244 32.723 ( -0.043 -0.029 -0.011) 0.054 32.857 ( -0.143 -0.443 -0.003) 0.466 36.646 ( -0.272 0.181 0.023) 0.328 36.707 ( 0.243 -0.417 0.039) 0.484 36.760 ( -0.336 0.186 -0.008) 0.385 36.816 ( 0.190 -0.327 -0.052) 0.382 68.251 ( 0.028 -0.166 0.009) 0.169 68.545 ( 0.011 -0.142 0.010) 0.143 69.588 ( -0.217 0.605 0.001) 0.643 70.246 ( 0.908 0.548 -0.266) 1.093 70.416 ( -0.184 -0.296 0.255) 0.432 70.855 ( -0.187 0.465 -0.006) 0.502 71.216 ( 0.205 -0.189 -0.032) 0.281 72.206 ( -0.404 -0.633 0.031) 0.751 ======================= Grid point 27 (13/112) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 10.311 17.860 0.000) 20.623 2.066 ( 11.491 19.904 0.000) 22.983 2.923 ( 7.411 12.836 0.000) 14.822 3.226 ( 8.622 14.934 0.000) 17.245 3.599 ( 8.945 15.493 0.000) 17.890 3.968 ( -0.431 -0.746 0.000) 0.861 5.203 ( -3.776 -6.540 0.000) 7.551 6.036 ( 2.319 4.017 0.000) 4.638 6.290 ( 1.386 2.401 0.000) 2.773 6.691 ( 4.440 7.689 0.000) 8.879 7.649 ( -6.245 -10.817 0.000) 12.490 8.037 ( -0.761 -1.317 0.000) 1.521 8.059 ( 1.929 3.342 0.000) 3.859 8.642 ( 0.882 1.528 0.000) 1.764 8.782 ( 1.330 2.304 0.000) 2.661 11.876 ( -0.483 -0.837 0.000) 0.967 11.897 ( -0.098 -0.169 0.000) 0.196 12.603 ( 6.283 10.882 0.000) 12.565 30.704 ( -0.756 -1.310 0.000) 1.512 32.161 ( -0.647 -1.121 0.000) 1.294 32.307 ( -0.156 -0.270 0.000) 0.312 32.604 ( -0.401 -0.695 0.000) 0.803 32.728 ( -0.090 -0.156 0.000) 0.180 32.899 ( -0.756 -1.309 0.000) 1.512 36.668 ( -0.157 -0.272 0.000) 0.314 36.700 ( -0.052 -0.089 0.000) 0.103 36.787 ( -0.290 -0.502 0.000) 0.580 36.813 ( -0.151 -0.261 0.000) 0.302 68.260 ( -0.246 -0.426 0.000) 0.492 68.551 ( -0.120 -0.208 0.000) 0.240 69.578 ( 0.348 0.603 0.000) 0.697 70.121 ( 1.930 3.343 0.000) 3.860 70.449 ( -0.556 -0.963 0.000) 1.111 70.849 ( 0.225 0.390 0.000) 0.450 71.201 ( 0.200 0.346 0.000) 0.399 72.285 ( -1.331 -2.306 0.000) 2.662 ======================= Grid point 28 (14/112) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 11.971 13.378 -1.950) 18.058 2.402 ( 4.791 16.335 -1.517) 17.090 3.154 ( 3.203 9.942 0.681) 10.467 3.353 ( -0.263 2.868 -1.827) 3.411 3.819 ( 1.383 4.686 4.388) 6.566 4.159 ( 15.867 8.381 -1.088) 17.977 5.079 ( -2.764 -5.414 0.381) 6.091 6.083 ( -4.279 8.607 -1.689) 9.760 6.368 ( 4.828 0.481 1.758) 5.160 6.820 ( 0.531 7.626 2.520) 8.049 7.431 ( -3.193 -12.542 -1.656) 13.047 7.992 ( -0.715 -2.416 -0.883) 2.669 8.158 ( 2.795 4.387 -0.056) 5.202 8.667 ( -0.546 2.609 0.108) 2.668 8.837 ( 2.918 0.705 -0.099) 3.003 11.858 ( -0.713 -0.541 -0.029) 0.896 11.894 ( 0.115 -0.430 -0.070) 0.451 12.817 ( 6.034 8.079 -0.014) 10.083 30.678 ( -0.702 -0.993 0.001) 1.215 32.139 ( -0.699 -0.669 0.015) 0.968 32.301 ( -0.087 -0.393 -0.005) 0.402 32.590 ( -0.416 -0.567 0.004) 0.704 32.725 ( -0.082 -0.115 -0.014) 0.142 32.874 ( -0.674 -1.059 -0.005) 1.256 36.661 ( -0.391 0.016 0.024) 0.392 36.698 ( 0.143 -0.413 0.046) 0.440 36.777 ( -0.441 -0.123 -0.001) 0.458 36.809 ( 0.060 -0.421 -0.064) 0.430 68.253 ( -0.143 -0.315 0.014) 0.346 68.547 ( -0.106 -0.229 0.010) 0.252 69.590 ( 0.184 0.771 0.002) 0.792 70.186 ( 1.948 2.331 -0.210) 3.045 70.430 ( -0.514 -0.748 0.192) 0.927 70.858 ( 0.116 0.555 -0.007) 0.567 71.207 ( 0.209 0.024 -0.032) 0.213 72.240 ( -1.256 -1.792 0.033) 2.188 ======================= Grid point 29 (15/112) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 9.827 8.558 -2.470) 13.263 2.571 ( -1.067 9.471 -0.605) 9.550 3.188 ( -1.813 -1.545 -0.539) 2.442 3.416 ( -2.835 12.990 -0.141) 13.297 3.861 ( -1.059 4.573 2.808) 5.469 4.496 ( 14.085 -0.116 -0.366) 14.090 4.999 ( -0.314 -4.461 0.506) 4.500 6.077 ( -6.702 10.004 -1.208) 12.102 6.445 ( 2.011 1.596 1.306) 2.880 6.861 ( -1.853 3.346 2.719) 4.693 7.304 ( 1.381 -8.586 -2.185) 8.967 7.965 ( 0.237 -2.030 -0.696) 2.159 8.236 ( 1.567 2.711 0.057) 3.132 8.679 ( -1.258 2.762 0.106) 3.037 8.891 ( 2.804 -0.762 -0.109) 2.908 11.842 ( -0.616 -0.116 -0.037) 0.628 11.892 ( 0.331 -0.672 -0.057) 0.751 12.971 ( 3.519 4.467 -0.011) 5.686 30.660 ( -0.378 -0.596 0.001) 0.705 32.124 ( -0.525 -0.150 0.013) 0.546 32.296 ( 0.060 -0.454 -0.006) 0.458 32.579 ( -0.234 -0.372 0.003) 0.440 32.723 ( -0.054 -0.050 -0.011) 0.074 32.855 ( -0.309 -0.732 -0.004) 0.795 36.655 ( -0.405 0.259 0.019) 0.481 36.697 ( 0.272 -0.582 0.043) 0.644 36.769 ( -0.431 0.198 0.004) 0.474 36.807 ( 0.236 -0.515 -0.063) 0.570 68.249 ( -0.011 -0.239 0.009) 0.239 68.543 ( -0.028 -0.210 0.010) 0.212 69.599 ( -0.110 0.830 0.002) 0.837 70.234 ( 1.272 1.153 -0.254) 1.735 70.416 ( -0.300 -0.503 0.241) 0.633 70.864 ( -0.102 0.648 -0.005) 0.656 71.210 ( 0.209 -0.221 -0.033) 0.306 72.206 ( -0.678 -1.107 0.031) 1.299 ======================= Grid point 30 (16/112) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -0.485 0.840 0.000) 0.970 2.591 ( -3.500 6.062 0.000) 7.000 3.155 ( 0.671 -1.162 -0.000) 1.341 3.462 ( -7.942 13.756 -0.000) 15.884 3.877 ( -2.675 4.633 0.000) 5.350 4.625 ( 4.892 -8.473 -0.000) 9.784 4.974 ( 1.990 -3.446 0.000) 3.979 6.066 ( -6.183 10.709 -0.000) 12.366 6.470 ( -1.107 1.917 -0.000) 2.214 6.855 ( -0.489 0.848 -0.000) 0.979 7.279 ( 3.022 -5.234 0.000) 6.044 7.957 ( 0.952 -1.648 -0.000) 1.903 8.265 ( -0.633 1.096 -0.000) 1.265 8.681 ( -1.485 2.572 0.000) 2.969 8.914 ( 1.197 -2.074 -0.000) 2.395 11.836 ( -0.158 0.273 0.000) 0.315 11.892 ( 0.431 -0.746 -0.000) 0.862 13.027 ( -0.694 1.202 0.000) 1.388 30.654 ( 0.130 -0.226 0.000) 0.261 32.118 ( -0.139 0.240 0.000) 0.277 32.294 ( 0.237 -0.411 -0.000) 0.475 32.575 ( 0.089 -0.155 -0.000) 0.179 32.722 ( -0.002 0.003 0.000) 0.003 32.848 ( 0.225 -0.389 -0.000) 0.449 36.653 ( -0.246 0.426 0.000) 0.492 36.696 ( 0.348 -0.603 -0.000) 0.696 36.766 ( -0.235 0.406 0.000) 0.469 36.806 ( 0.307 -0.532 -0.000) 0.615 68.247 ( 0.104 -0.180 0.000) 0.208 68.542 ( 0.088 -0.153 -0.000) 0.177 69.603 ( -0.426 0.737 -0.000) 0.851 70.252 ( -0.050 0.086 -0.000) 0.099 70.410 ( 0.122 -0.210 0.000) 0.243 70.867 ( -0.345 0.598 0.000) 0.690 71.210 ( 0.187 -0.324 -0.000) 0.375 72.194 ( 0.254 -0.440 -0.000) 0.508 ======================= Grid point 41 (17/112) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 6.909 11.967 0.000) 13.818 2.639 ( 3.729 6.459 0.000) 7.459 3.189 ( -1.939 -3.358 0.000) 3.877 3.532 ( 6.661 11.538 0.000) 13.323 3.918 ( 2.618 4.535 0.000) 5.237 4.326 ( 3.941 6.827 0.000) 7.883 4.976 ( -2.440 -4.226 0.000) 4.879 6.237 ( 2.837 4.914 0.000) 5.674 6.387 ( 1.131 1.959 0.000) 2.262 6.933 ( 1.157 2.005 0.000) 2.315 7.217 ( -3.692 -6.395 0.000) 7.385 7.951 ( -0.850 -1.472 0.000) 1.699 8.235 ( 1.718 2.976 0.000) 3.436 8.715 ( 0.989 1.714 0.000) 1.979 8.852 ( 0.430 0.745 0.000) 0.861 11.848 ( -0.219 -0.379 0.000) 0.438 11.884 ( -0.263 -0.455 0.000) 0.525 12.962 ( 3.244 5.619 0.000) 6.488 30.660 ( -0.407 -0.704 0.000) 0.813 32.128 ( -0.228 -0.395 0.000) 0.456 32.293 ( -0.206 -0.357 0.000) 0.413 32.579 ( -0.259 -0.448 0.000) 0.518 32.723 ( -0.037 -0.064 0.000) 0.074 32.854 ( -0.455 -0.789 0.000) 0.911 36.662 ( 0.019 0.033 0.000) 0.038 36.689 ( -0.213 -0.369 0.000) 0.426 36.775 ( -0.019 -0.033 0.000) 0.038 36.801 ( -0.201 -0.349 0.000) 0.403 68.247 ( -0.119 -0.206 0.000) 0.237 68.542 ( -0.111 -0.192 0.000) 0.222 69.605 ( 0.366 0.634 0.000) 0.732 70.228 ( 0.953 1.650 0.000) 1.906 70.416 ( -0.334 -0.578 0.000) 0.667 70.869 ( 0.286 0.496 0.000) 0.573 71.206 ( -0.044 -0.077 0.000) 0.089 72.207 ( -0.749 -1.297 0.000) 1.498 ======================= Grid point 42 (18/112) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 3.737 4.972 -0.583) 6.247 2.698 ( -1.671 3.767 0.284) 4.131 3.122 ( -0.457 -3.450 -0.267) 3.490 3.722 ( -1.753 13.772 0.214) 13.885 3.991 ( -2.019 7.426 0.152) 7.697 4.421 ( 6.413 -6.779 0.021) 9.332 4.914 ( 0.148 -3.410 0.051) 3.414 6.275 ( -4.782 8.295 -0.532) 9.590 6.448 ( 3.517 -1.175 0.592) 3.755 6.903 ( -2.964 0.364 0.656) 3.058 7.179 ( 2.387 -3.069 -0.633) 3.940 7.931 ( 0.136 -1.136 -0.088) 1.148 8.278 ( 0.471 1.290 0.013) 1.373 8.736 ( -1.012 2.640 0.035) 2.828 8.866 ( 1.429 -1.559 -0.034) 2.115 11.843 ( -0.271 0.165 -0.006) 0.317 11.877 ( 0.194 -0.698 -0.008) 0.725 13.043 ( 0.968 2.313 -0.002) 2.507 30.650 ( -0.101 -0.331 0.000) 0.346 32.123 ( -0.159 0.030 0.002) 0.162 32.287 ( 0.030 -0.346 -0.001) 0.347 32.573 ( -0.065 -0.230 0.000) 0.239 32.723 ( -0.015 -0.013 -0.002) 0.020 32.842 ( -0.078 -0.447 -0.000) 0.454 36.662 ( -0.224 0.414 0.000) 0.470 36.684 ( 0.183 -0.596 0.009) 0.624 36.775 ( -0.216 0.335 0.006) 0.399 36.796 ( 0.170 -0.537 -0.015) 0.564 68.244 ( 0.004 -0.148 0.001) 0.148 68.539 ( -0.006 -0.141 0.001) 0.141 69.615 ( -0.051 0.575 0.001) 0.577 70.252 ( 0.371 0.570 -0.045) 0.682 70.407 ( -0.090 -0.304 0.043) 0.320 70.876 ( -0.044 0.478 -0.000) 0.480 71.205 ( 0.067 -0.211 -0.005) 0.221 72.188 ( -0.182 -0.628 0.005) 0.654 ======================= Grid point 54 (19/112) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -0.000 -0.000 0.000) 0.000 2.742 ( -0.000 -0.000 0.000) 0.000 3.078 ( -0.000 -0.000 0.000) 0.000 3.886 ( -0.000 -0.000 0.000) 0.000 4.125 ( -0.000 -0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.875 ( -0.000 -0.000 0.000) 0.000 6.396 ( -0.000 -0.000 0.000) 0.000 6.404 ( -0.000 -0.000 0.000) 0.000 6.897 ( -0.000 -0.000 0.000) 0.000 7.156 ( -0.000 -0.000 0.000) 0.000 7.919 ( -0.000 -0.000 0.000) 0.000 8.291 ( -0.000 -0.000 0.000) 0.000 8.772 ( -0.000 -0.000 0.000) 0.000 8.842 ( -0.000 -0.000 0.000) 0.000 11.846 ( -0.000 -0.000 0.000) 0.000 11.868 ( -0.000 -0.000 0.000) 0.000 13.067 ( -0.000 -0.000 0.000) 0.000 30.647 ( -0.000 -0.000 0.000) 0.000 32.123 ( -0.000 -0.000 0.000) 0.000 32.283 ( -0.000 -0.000 0.000) 0.000 32.570 ( -0.000 -0.000 0.000) 0.000 32.722 ( -0.000 -0.000 0.000) 0.000 32.838 ( -0.000 -0.000 0.000) 0.000 36.671 ( -0.000 -0.000 0.000) 0.000 36.674 ( -0.000 -0.000 0.000) 0.000 36.781 ( -0.000 -0.000 0.000) 0.000 36.787 ( -0.000 -0.000 0.000) 0.000 68.243 ( -0.000 -0.000 0.000) 0.000 68.538 ( -0.000 -0.000 0.000) 0.000 69.621 ( -0.000 -0.000 0.000) 0.000 70.258 ( -0.000 -0.000 0.000) 0.000 70.404 ( -0.000 -0.000 0.000) 0.000 70.882 ( -0.000 -0.000 0.000) 0.000 71.202 ( -0.000 -0.000 0.000) 0.000 72.181 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 157 (20/112) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 0.000 0.000 17.670) 17.670 0.379 ( 0.000 0.000 17.670) 17.670 0.828 ( 0.000 0.000 39.755) 39.755 2.296 ( 0.000 0.000 -3.405) 3.405 2.296 ( 0.000 -0.000 -3.405) 3.405 4.369 ( 0.000 0.000 -15.858) 15.858 5.947 ( -0.000 0.000 0.607) 0.607 5.947 ( 0.000 0.000 0.607) 0.607 6.326 ( -0.000 0.000 0.279) 0.279 6.326 ( 0.000 0.000 0.279) 0.279 6.412 ( 0.000 0.000 5.281) 5.281 7.640 ( 0.000 -0.000 -0.237) 0.237 8.605 ( 0.000 -0.000 0.370) 0.370 8.605 ( 0.000 0.000 0.370) 0.370 9.514 ( 0.000 0.000 0.165) 0.165 11.889 ( 0.000 -0.000 -0.730) 0.730 11.889 ( -0.000 0.000 -0.730) 0.730 11.966 ( 0.000 -0.000 0.081) 0.081 30.835 ( 0.000 -0.000 -0.187) 0.187 32.231 ( 0.000 -0.000 0.077) 0.077 32.231 ( 0.000 -0.000 0.077) 0.077 32.641 ( 0.000 -0.000 -0.098) 0.098 32.641 ( 0.000 0.000 -0.098) 0.098 33.054 ( 0.000 -0.000 -0.051) 0.051 36.686 ( 0.000 -0.000 0.045) 0.045 36.686 ( 0.000 0.000 0.045) 0.045 36.823 ( 0.000 -0.000 -0.072) 0.072 36.823 ( 0.000 0.000 -0.072) 0.072 68.339 ( 0.000 0.000 0.031) 0.031 68.562 ( 0.000 -0.000 0.009) 0.009 69.553 ( 0.000 -0.000 0.029) 0.029 69.553 ( -0.000 -0.000 0.029) 0.029 70.835 ( 0.000 -0.000 0.037) 0.037 70.835 ( 0.000 0.000 0.037) 0.037 70.921 ( 0.000 0.000 -0.002) 0.002 72.638 ( 0.000 0.000 -0.051) 0.051 ======================= Grid point 158 (21/112) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 4.342 2.507 23.478) 24.007 0.635 ( 18.230 10.525 9.752) 23.199 1.381 ( 42.259 24.398 14.774) 50.984 2.357 ( 4.893 2.825 -3.408) 6.599 2.503 ( 15.227 8.791 -4.296) 18.099 4.264 ( -5.512 -3.182 -7.553) 9.877 5.650 ( -11.895 -6.868 7.905) 15.848 5.915 ( -1.527 -0.881 -0.224) 1.777 6.172 ( 6.804 3.928 3.056) 8.430 6.367 ( 2.061 1.190 1.185) 2.659 7.212 ( 22.459 12.967 -28.702) 38.682 7.678 ( 3.138 1.812 -0.193) 3.629 8.606 ( -0.003 -0.002 0.405) 0.405 8.624 ( 1.467 0.847 0.631) 1.808 9.102 ( -21.634 -12.490 21.527) 32.976 11.884 ( -0.145 -0.084 -0.726) 0.745 11.905 ( 0.316 0.183 -1.414) 1.460 12.036 ( 5.565 3.213 -0.028) 6.426 30.795 ( -1.905 -1.100 1.033) 2.430 32.224 ( -0.607 -0.350 0.092) 0.707 32.277 ( 1.699 0.981 -2.055) 2.841 32.638 ( -0.316 -0.182 -0.084) 0.374 32.681 ( 1.908 1.102 -2.170) 3.093 33.011 ( -2.328 -1.344 1.712) 3.187 36.685 ( -0.180 -0.104 0.088) 0.225 36.692 ( 0.339 0.196 -0.192) 0.436 36.818 ( -0.396 -0.229 -0.096) 0.467 36.824 ( 0.014 0.008 0.018) 0.024 68.308 ( -1.335 -0.771 0.955) 1.813 68.560 ( -0.081 -0.047 0.054) 0.108 69.555 ( 0.156 0.090 0.026) 0.183 69.740 ( 8.935 5.159 -8.405) 13.308 70.655 ( -5.940 -3.429 6.823) 9.675 70.836 ( 0.076 0.044 0.025) 0.092 71.076 ( 4.538 2.620 -5.108) 7.318 72.518 ( -5.653 -3.264 5.267) 8.388 ======================= Grid point 159 (22/112) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 15.252 8.806 4.973) 18.300 1.104 ( 19.710 11.379 5.287) 23.365 2.377 ( 37.648 21.736 8.359) 44.269 2.518 ( 8.082 4.666 -3.233) 9.877 2.937 ( 19.874 11.474 -6.528) 23.859 4.150 ( -3.794 -2.190 -2.641) 5.115 5.440 ( -7.219 -4.168 0.917) 8.386 5.876 ( -1.747 -1.009 -0.861) 2.194 6.382 ( 9.812 5.665 5.982) 12.812 6.412 ( 1.477 0.853 1.840) 2.509 7.501 ( 4.524 2.612 -26.579) 27.087 7.787 ( 5.806 3.352 -0.038) 6.704 8.605 ( -0.096 -0.056 0.417) 0.432 8.614 ( -8.619 -4.976 15.839) 18.706 8.734 ( -3.117 -1.799 6.461) 7.395 11.884 ( 0.081 0.047 -0.773) 0.779 11.900 ( -0.646 -0.373 -0.916) 1.182 12.222 ( 9.592 5.538 -0.089) 11.076 30.755 ( -1.524 -0.880 0.384) 1.801 32.203 ( -1.086 -0.627 0.105) 1.258 32.299 ( 0.424 0.245 -1.182) 1.279 32.627 ( -0.572 -0.330 -0.062) 0.663 32.711 ( 0.689 0.398 -1.544) 1.737 32.962 ( -1.816 -1.049 1.205) 2.418 36.678 ( -0.361 -0.208 0.139) 0.440 36.700 ( 0.331 0.191 -0.113) 0.399 36.805 ( -0.667 -0.385 -0.132) 0.782 36.823 ( -0.108 -0.062 0.155) 0.199 68.284 ( -0.768 -0.443 0.381) 0.965 68.558 ( -0.116 -0.067 0.048) 0.142 69.560 ( 0.275 0.159 0.021) 0.319 69.908 ( 5.657 3.266 -6.242) 9.035 70.559 ( -2.656 -1.533 5.127) 5.974 70.838 ( 0.141 0.082 0.010) 0.163 71.143 ( 1.729 0.998 -3.200) 3.771 72.413 ( -3.556 -2.053 3.509) 5.402 ======================= Grid point 160 (23/112) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 18.115 10.458 -5.679) 21.674 1.555 ( 17.552 10.134 2.965) 20.483 2.724 ( 8.641 4.989 -2.540) 10.296 3.023 ( 14.098 8.140 -5.431) 17.161 3.497 ( 26.834 15.492 -0.616) 30.991 4.104 ( 0.652 0.376 4.829) 4.887 5.281 ( -5.935 -3.426 -0.850) 6.905 5.832 ( -1.852 -1.070 -1.337) 2.522 6.432 ( 0.132 0.076 2.233) 2.238 6.615 ( 9.088 5.247 7.270) 12.765 7.518 ( -2.104 -1.215 -22.251) 22.383 7.944 ( 6.928 4.000 0.250) 8.003 8.350 ( -9.818 -5.668 16.927) 20.373 8.602 ( -0.079 -0.045 0.347) 0.358 8.787 ( 3.605 2.081 0.378) 4.179 11.879 ( -1.025 -0.592 -0.574) 1.315 11.887 ( 0.189 0.109 -0.845) 0.873 12.478 ( 11.242 6.491 -0.095) 12.982 30.720 ( -1.427 -0.824 0.046) 1.649 32.174 ( -1.292 -0.746 0.112) 1.496 32.304 ( 0.075 0.043 -0.617) 0.623 32.611 ( -0.689 -0.398 -0.040) 0.796 32.720 ( 0.185 0.107 -0.761) 0.790 32.922 ( -1.541 -0.889 0.595) 1.876 36.668 ( -0.457 -0.264 0.184) 0.559 36.707 ( 0.266 0.154 -0.000) 0.307 36.787 ( -0.758 -0.438 -0.167) 0.892 36.820 ( -0.109 -0.063 0.157) 0.201 68.269 ( -0.512 -0.295 0.121) 0.603 68.555 ( -0.150 -0.087 0.047) 0.180 69.567 ( 0.322 0.186 0.014) 0.372 70.028 ( 4.473 2.582 -4.077) 6.580 70.511 ( -1.520 -0.878 3.702) 4.097 70.842 ( 0.169 0.098 -0.004) 0.195 71.174 ( 0.908 0.524 -2.136) 2.380 72.335 ( -2.946 -1.701 1.913) 3.903 ======================= Grid point 161 (24/112) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 17.400 10.046 -10.543) 22.690 1.933 ( 13.704 7.912 1.214) 15.870 2.912 ( 6.630 3.828 -1.449) 7.792 3.167 ( 0.525 0.303 -13.508) 13.522 3.969 ( 6.671 3.852 7.390) 10.675 4.279 ( 16.628 9.600 4.920) 19.821 5.169 ( -3.125 -1.804 -0.066) 3.609 5.790 ( -1.539 -0.889 -1.612) 2.399 6.421 ( -0.875 -0.505 2.369) 2.576 6.797 ( 5.716 3.300 5.624) 8.671 7.435 ( -4.074 -2.352 -16.219) 16.887 8.101 ( 5.760 3.326 0.667) 6.685 8.168 ( -5.319 -3.071 11.235) 12.805 8.603 ( 0.230 0.133 0.111) 0.287 8.875 ( 3.508 2.026 0.707) 4.112 11.854 ( -0.987 -0.570 -0.355) 1.194 11.892 ( 0.222 0.128 -0.887) 0.923 12.737 ( 9.846 5.685 -0.074) 11.370 30.688 ( -1.147 -0.662 -0.047) 1.326 32.144 ( -1.154 -0.667 0.112) 1.338 32.304 ( -0.035 -0.020 -0.343) 0.346 32.595 ( -0.621 -0.358 -0.021) 0.717 32.722 ( 0.008 0.005 -0.327) 0.327 32.889 ( -1.159 -0.669 0.291) 1.369 36.657 ( -0.431 -0.249 0.208) 0.539 36.712 ( 0.140 0.081 0.105) 0.193 36.770 ( -0.645 -0.372 -0.190) 0.768 36.818 ( -0.040 -0.023 0.094) 0.104 68.259 ( -0.287 -0.166 0.052) 0.336 68.551 ( -0.154 -0.089 0.049) 0.185 69.575 ( 0.281 0.162 0.007) 0.324 70.123 ( 3.384 1.954 -3.087) 4.980 70.482 ( -0.932 -0.538 3.095) 3.277 70.846 ( 0.153 0.088 -0.013) 0.177 71.190 ( 0.508 0.293 -1.719) 1.816 72.272 ( -2.313 -1.335 1.063) 2.874 ======================= Grid point 162 (25/112) ======================= q-point: ( 0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 14.433 8.333 -12.101) 20.596 2.202 ( 8.383 4.840 0.241) 9.683 3.028 ( 2.883 1.664 -0.606) 3.383 3.125 ( -3.068 -1.771 -13.160) 13.629 3.982 ( -2.595 -1.498 9.582) 10.039 4.661 ( 11.966 6.908 0.788) 13.839 5.129 ( -0.650 -0.375 2.313) 2.432 5.764 ( -0.583 -0.337 -1.584) 1.721 6.396 ( -1.075 -0.621 2.249) 2.568 6.876 ( 0.759 0.438 1.229) 1.509 7.358 ( -1.699 -0.981 -8.611) 8.831 8.087 ( -1.623 -0.937 7.088) 7.331 8.207 ( 2.942 1.698 1.108) 3.573 8.613 ( 0.457 0.264 -0.256) 0.586 8.946 ( 2.229 1.287 0.991) 2.758 11.835 ( -0.565 -0.326 -0.203) 0.684 11.897 ( 0.191 0.110 -0.874) 0.901 12.929 ( 5.722 3.304 -0.044) 6.607 30.666 ( -0.643 -0.371 -0.057) 0.745 32.121 ( -0.690 -0.399 0.103) 0.804 32.303 ( -0.040 -0.023 -0.214) 0.219 32.583 ( -0.370 -0.214 -0.011) 0.428 32.722 ( -0.018 -0.011 -0.111) 0.113 32.868 ( -0.620 -0.358 0.170) 0.736 36.648 ( -0.281 -0.162 0.202) 0.382 36.714 ( 0.012 0.007 0.166) 0.166 36.757 ( -0.358 -0.207 -0.193) 0.457 36.818 ( 0.043 0.025 0.050) 0.070 68.254 ( -0.121 -0.070 0.042) 0.146 68.548 ( -0.108 -0.062 0.045) 0.133 69.580 ( 0.163 0.094 0.001) 0.188 70.189 ( 2.016 1.164 -2.747) 3.601 70.464 ( -0.614 -0.354 2.923) 3.008 70.849 ( 0.096 0.055 -0.013) 0.111 71.199 ( 0.257 0.148 -1.551) 1.579 72.227 ( -1.319 -0.761 0.634) 1.649 ======================= Grid point 163 (26/112) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 1.538 0.888 0.712) 1.914 2.348 ( 6.347 3.664 -8.983) 11.593 3.048 ( -1.127 -0.651 -0.874) 1.568 3.059 ( -1.338 -0.773 -13.821) 13.907 3.903 ( -3.385 -1.954 8.346) 9.215 4.821 ( 1.301 0.751 -0.881) 1.741 5.102 ( -2.009 -1.160 3.326) 4.055 5.766 ( 0.798 0.461 -1.190) 1.505 6.375 ( -0.672 -0.388 1.894) 2.047 6.845 ( -2.930 -1.692 -2.582) 4.256 7.364 ( 2.055 1.186 -3.806) 4.485 8.082 ( 1.078 0.623 6.040) 6.167 8.242 ( -0.051 -0.029 1.278) 1.279 8.619 ( -0.073 -0.042 -0.478) 0.485 8.975 ( 0.119 0.069 1.167) 1.176 11.829 ( 0.068 0.039 -0.108) 0.133 11.901 ( 0.102 0.059 -0.807) 0.816 12.999 ( 0.020 0.011 -0.021) 0.031 30.659 ( -0.002 -0.001 -0.055) 0.055 32.112 ( -0.022 -0.013 0.086) 0.090 32.303 ( 0.010 0.006 -0.170) 0.171 32.578 ( -0.006 -0.003 -0.010) 0.012 32.722 ( 0.021 0.012 -0.033) 0.041 32.860 ( 0.005 0.003 0.141) 0.141 36.644 ( -0.045 -0.026 0.171) 0.179 36.713 ( -0.070 -0.041 0.147) 0.168 36.753 ( 0.023 0.013 -0.178) 0.180 36.820 ( 0.088 0.051 0.083) 0.131 68.253 ( -0.016 -0.009 0.035) 0.040 68.546 ( -0.018 -0.010 0.033) 0.039 69.582 ( -0.000 -0.000 -0.002) 0.002 70.218 ( 0.349 0.201 -2.630) 2.661 70.453 ( -0.335 -0.194 2.852) 2.878 70.850 ( 0.012 0.007 -0.005) 0.015 71.203 ( 0.059 0.034 -1.471) 1.472 72.211 ( -0.053 -0.031 0.476) 0.480 ======================= Grid point 165 (27/112) ======================= q-point: (-0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -6.270 -3.620 2.695) 7.725 2.321 ( -8.493 -4.903 -1.874) 9.984 2.982 ( -4.149 -2.395 -2.378) 5.348 3.111 ( 5.301 3.060 -18.183) 19.185 3.824 ( -3.663 -2.115 7.436) 8.554 4.697 ( -11.784 -6.804 1.958) 13.747 5.069 ( 0.202 0.117 0.075) 0.245 5.800 ( 1.988 1.148 -0.478) 2.345 6.365 ( -0.195 -0.113 1.325) 1.344 6.746 ( -5.302 -3.061 -3.879) 7.247 7.443 ( 4.167 2.406 -3.886) 6.185 8.139 ( 3.777 2.181 7.774) 8.914 8.205 ( -3.026 -1.747 1.022) 3.641 8.610 ( -0.564 -0.326 -0.370) 0.749 8.951 ( -2.081 -1.202 1.238) 2.703 11.837 ( 0.644 0.372 -0.106) 0.752 11.902 ( -0.020 -0.012 -0.709) 0.709 12.929 ( -5.685 -3.282 -0.012) 6.565 30.666 ( 0.642 0.371 -0.059) 0.744 32.120 ( 0.653 0.377 0.067) 0.757 32.304 ( 0.051 0.029 -0.201) 0.210 32.583 ( 0.360 0.208 -0.020) 0.416 32.723 ( 0.057 0.033 -0.074) 0.100 32.868 ( 0.633 0.365 0.176) 0.752 36.646 ( 0.204 0.118 0.125) 0.266 36.711 ( -0.113 -0.065 0.065) 0.146 36.759 ( 0.398 0.230 -0.152) 0.483 36.822 ( 0.085 0.049 0.179) 0.204 68.253 ( 0.083 0.048 0.013) 0.096 68.547 ( 0.083 0.048 0.020) 0.098 69.580 ( -0.162 -0.094 0.001) 0.187 70.202 ( -1.642 -0.948 -2.535) 3.166 70.451 ( 0.275 0.159 2.719) 2.738 70.850 ( -0.076 -0.044 0.006) 0.088 71.202 ( -0.177 -0.102 -1.460) 1.474 72.225 ( 1.242 0.717 0.565) 1.541 ======================= Grid point 166 (28/112) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -17.060 -9.850 1.078) 19.729 2.030 ( -13.187 -7.613 4.917) 16.001 2.856 ( -6.314 -3.646 -3.795) 8.220 3.220 ( 0.860 0.496 -17.321) 17.349 3.691 ( -8.052 -4.649 4.325) 10.254 4.322 ( -17.005 -9.818 5.439) 20.375 5.117 ( 3.686 2.128 -2.225) 4.803 5.855 ( 2.429 1.403 0.394) 2.833 6.362 ( -0.104 -0.060 0.569) 0.581 6.592 ( -7.385 -4.263 -3.819) 9.343 7.549 ( 4.287 2.475 -6.749) 8.370 8.098 ( -5.788 -3.342 0.527) 6.704 8.265 ( 6.654 3.842 11.232) 13.608 8.599 ( -0.258 -0.149 -0.061) 0.304 8.881 ( -3.600 -2.078 1.202) 4.327 11.857 ( 0.956 0.552 -0.241) 1.130 11.900 ( -0.139 -0.080 -0.611) 0.632 12.739 ( -9.819 -5.669 -0.016) 11.338 30.688 ( 1.154 0.666 -0.046) 1.334 32.142 ( 1.135 0.656 0.053) 1.312 32.305 ( 0.027 0.016 -0.330) 0.331 32.595 ( 0.612 0.353 -0.039) 0.707 32.724 ( 0.021 0.012 -0.261) 0.262 32.890 ( 1.172 0.676 0.305) 1.387 36.654 ( 0.390 0.225 0.078) 0.457 36.708 ( -0.151 -0.087 -0.027) 0.176 36.772 ( 0.664 0.384 -0.121) 0.777 36.824 ( 0.057 0.033 0.270) 0.278 68.257 ( 0.242 0.140 -0.012) 0.279 68.550 ( 0.150 0.087 0.013) 0.174 69.575 ( -0.279 -0.161 0.008) 0.322 70.140 ( -3.461 -1.998 -2.773) 4.864 70.467 ( 1.060 0.612 2.811) 3.066 70.847 ( -0.143 -0.083 0.018) 0.167 71.194 ( -0.509 -0.294 -1.593) 1.698 72.268 ( 2.296 1.326 0.967) 2.822 ======================= Grid point 167 (29/112) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -20.785 -12.000 1.787) 24.067 1.652 ( -17.882 -10.324 6.556) 21.664 2.685 ( -7.657 -4.421 -4.226) 9.800 2.973 ( -23.078 -13.324 -1.951) 26.720 3.420 ( -15.202 -8.777 -7.244) 18.990 4.056 ( -2.575 -1.487 4.026) 5.005 5.241 ( 6.442 3.719 -2.366) 7.806 5.910 ( 2.027 1.170 1.190) 2.626 6.355 ( -0.515 -0.297 -0.224) 0.635 6.402 ( -8.163 -4.713 -2.935) 9.872 7.629 ( 1.892 1.092 -11.106) 11.319 7.941 ( -6.877 -3.970 0.122) 7.942 8.457 ( 9.318 5.380 15.178) 18.605 8.597 ( 0.110 0.063 0.177) 0.218 8.787 ( -3.987 -2.302 1.308) 4.786 11.881 ( 0.929 0.536 -0.532) 1.198 11.896 ( -0.206 -0.119 -0.541) 0.591 12.480 ( -11.237 -6.487 -0.024) 12.975 30.720 ( 1.437 0.830 0.056) 1.660 32.172 ( 1.296 0.748 0.046) 1.497 32.304 ( -0.093 -0.053 -0.612) 0.621 32.611 ( 0.685 0.395 -0.063) 0.793 32.723 ( -0.176 -0.102 -0.682) 0.712 32.923 ( 1.544 0.891 0.613) 1.885 36.664 ( 0.461 0.266 0.040) 0.534 36.704 ( -0.200 -0.115 -0.084) 0.246 36.789 ( 0.754 0.435 -0.093) 0.875 36.825 ( 0.033 0.019 0.287) 0.290 68.266 ( 0.484 0.279 0.031) 0.560 68.554 ( 0.164 0.094 0.019) 0.190 69.567 ( -0.319 -0.184 0.018) 0.369 70.041 ( -4.710 -2.719 -3.845) 6.660 70.501 ( 1.801 1.040 3.528) 4.095 70.843 ( -0.172 -0.099 0.030) 0.200 71.176 ( -0.972 -0.561 -2.045) 2.333 72.332 ( 2.979 1.720 1.837) 3.900 ======================= Grid point 168 (30/112) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -20.984 -12.115 3.691) 24.509 1.190 ( -20.231 -11.680 8.127) 24.734 2.218 ( -37.017 -21.372 7.626) 43.418 2.501 ( -7.308 -4.219 -3.980) 9.330 2.977 ( -20.376 -11.764 -5.357) 24.130 4.118 ( 5.284 3.051 -3.433) 7.001 5.416 ( 8.109 4.682 0.521) 9.378 5.948 ( 1.099 0.634 1.616) 2.055 6.215 ( -7.060 -4.076 -1.972) 8.387 6.337 ( -0.955 -0.552 -0.724) 1.320 7.602 ( -5.367 -3.099 -17.915) 18.957 7.786 ( -5.727 -3.306 -0.101) 6.614 8.601 ( 0.156 0.090 0.288) 0.340 8.676 ( 0.784 0.453 2.751) 2.896 8.741 ( 8.843 5.106 18.393) 21.037 11.891 ( -0.173 -0.100 -0.516) 0.553 11.899 ( 0.556 0.321 -0.998) 1.187 12.224 ( -9.621 -5.554 -0.028) 11.109 30.756 ( 1.525 0.881 0.395) 1.805 32.202 ( 1.108 0.640 0.050) 1.281 32.299 ( -0.426 -0.246 -1.173) 1.272 32.626 ( 0.577 0.333 -0.086) 0.671 32.713 ( -0.716 -0.413 -1.485) 1.699 32.963 ( 1.804 1.042 1.215) 2.412 36.675 ( 0.407 0.235 0.019) 0.470 36.698 ( -0.241 -0.139 -0.104) 0.297 36.806 ( 0.644 0.372 -0.072) 0.747 36.826 ( 0.006 0.004 0.191) 0.191 68.281 ( 0.797 0.460 0.311) 0.971 68.558 ( 0.134 0.077 0.036) 0.159 69.560 ( -0.275 -0.159 0.025) 0.319 69.915 ( -5.885 -3.398 -6.157) 9.170 70.556 ( 2.861 1.652 5.089) 6.067 70.839 ( -0.153 -0.088 0.038) 0.181 71.144 ( -1.795 -1.036 -3.173) 3.790 72.411 ( 3.614 2.086 3.481) 5.434 ======================= Grid point 169 (31/112) ======================= q-point: (-0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -11.979 -6.916 15.869) 21.052 0.705 ( -19.284 -11.134 11.289) 24.965 1.302 ( -36.486 -21.065 18.383) 45.966 2.354 ( -4.604 -2.658 -3.592) 6.416 2.515 ( -16.286 -9.403 -3.910) 19.208 4.258 ( 6.136 3.543 -7.529) 10.339 5.651 ( 12.766 7.371 8.978) 17.260 5.961 ( -0.042 -0.024 1.400) 1.401 6.084 ( -2.956 -1.707 -0.863) 3.521 6.318 ( -0.419 -0.242 -0.553) 0.735 7.275 ( -24.880 -14.364 -25.221) 38.229 7.678 ( -3.104 -1.792 -0.204) 3.590 8.604 ( 0.079 0.046 0.335) 0.347 8.627 ( -1.746 -1.008 0.263) 2.033 9.119 ( 20.235 11.683 21.292) 31.612 11.889 ( 0.006 0.003 -0.567) 0.567 11.903 ( -0.347 -0.200 -1.585) 1.635 12.037 ( -5.622 -3.246 -0.007) 6.492 30.795 ( 1.891 1.092 1.033) 2.416 32.223 ( 0.641 0.370 0.062) 0.742 32.277 ( -1.677 -0.968 -2.024) 2.800 32.637 ( 0.330 0.191 -0.099) 0.394 32.682 ( -1.967 -1.136 -2.157) 3.133 33.012 ( 2.307 1.332 1.708) 3.165 36.683 ( 0.252 0.146 0.021) 0.292 36.692 ( -0.278 -0.160 -0.118) 0.342 36.819 ( 0.361 0.209 -0.064) 0.422 36.825 ( -0.085 -0.049 -0.017) 0.099 68.306 ( 1.427 0.824 0.956) 1.905 68.560 ( 0.095 0.055 0.055) 0.123 69.555 ( -0.159 -0.092 0.029) 0.187 69.742 ( -9.111 -5.260 -8.429) 13.480 70.655 ( 5.997 3.463 6.821) 9.720 70.836 ( -0.093 -0.054 0.041) 0.115 71.076 ( -4.552 -2.628 -5.111) 7.332 72.518 ( 5.707 3.295 5.277) 8.443 ======================= Grid point 171 (32/112) ======================= q-point: ( 0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 4.628 17.786 9.096) 20.506 1.096 ( 9.753 26.309 3.376) 28.261 2.019 ( 27.647 34.437 11.229) 45.567 2.477 ( 5.434 8.318 -3.623) 10.575 2.815 ( 9.422 19.295 -5.238) 22.102 4.164 ( -2.169 -5.634 -4.374) 7.455 5.477 ( -4.155 -8.659 2.059) 9.823 5.938 ( -2.673 2.189 -0.111) 3.457 6.207 ( 7.732 0.777 2.352) 8.119 6.401 ( 5.908 3.215 -0.057) 6.726 7.498 ( 0.666 9.102 -22.923) 24.673 7.757 ( 3.302 5.717 -0.769) 6.647 8.602 ( -0.285 -0.548 0.932) 1.118 8.658 ( 0.213 1.966 1.778) 2.660 8.799 ( -9.207 -13.233 20.517) 26.092 11.886 ( -0.215 0.145 -0.637) 0.687 11.904 ( -0.173 -0.374 -1.099) 1.174 12.164 ( 4.978 8.761 -0.063) 10.076 30.765 ( -0.915 -1.553 0.550) 1.885 32.209 ( -0.509 -0.999 0.077) 1.124 32.295 ( 0.349 0.589 -1.403) 1.562 32.630 ( -0.271 -0.521 -0.081) 0.593 32.707 ( 0.477 0.984 -1.780) 2.089 32.974 ( -1.126 -1.898 1.416) 2.622 36.680 ( -0.034 -0.323 0.047) 0.328 36.696 ( 0.152 0.184 -0.103) 0.260 36.810 ( -0.371 -0.523 -0.097) 0.648 36.824 ( -0.119 -0.047 0.142) 0.192 68.288 ( -0.422 -0.949 0.486) 1.147 68.559 ( -0.051 -0.129 0.046) 0.146 69.559 ( 0.163 0.292 0.015) 0.335 69.873 ( 3.431 6.409 -7.001) 10.092 70.577 ( -1.814 -3.343 5.651) 6.812 70.838 ( 0.070 0.180 0.025) 0.195 71.131 ( 1.226 2.166 -3.658) 4.425 72.436 ( -2.197 -3.945 4.087) 6.090 ======================= Grid point 172 (33/112) ======================= q-point: ( 0.17 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 10.690 17.222 0.605) 20.279 1.533 ( 8.450 25.580 0.775) 26.951 2.669 ( 8.655 10.482 -1.660) 13.694 2.824 ( 20.426 18.783 0.841) 27.762 3.231 ( 18.313 16.310 -4.316) 24.900 4.087 ( -0.506 -3.312 1.317) 3.600 5.321 ( -4.364 -6.726 -0.936) 8.072 5.912 ( -3.937 4.210 -1.088) 5.866 6.339 ( 7.394 -2.362 3.187) 8.391 6.568 ( 5.996 7.403 3.237) 10.061 7.518 ( -1.682 -1.428 -20.273) 20.393 7.895 ( 4.657 6.207 -0.579) 7.781 8.449 ( -9.323 -8.736 17.153) 21.388 8.623 ( -0.968 1.183 1.543) 2.172 8.743 ( 2.932 1.618 0.587) 3.400 11.884 ( -0.144 -0.194 -0.591) 0.639 11.891 ( -0.577 -0.340 -0.837) 1.072 12.383 ( 8.253 9.603 -0.090) 12.663 30.732 ( -1.120 -1.288 0.129) 1.712 32.185 ( -0.927 -1.039 0.093) 1.395 32.302 ( 0.130 0.054 -0.766) 0.779 32.617 ( -0.500 -0.571 -0.055) 0.761 32.719 ( 0.201 0.285 -0.978) 1.038 32.935 ( -1.256 -1.444 0.777) 2.066 36.674 ( -0.346 -0.219 0.113) 0.425 36.702 ( 0.341 -0.030 -0.031) 0.344 36.795 ( -0.621 -0.475 -0.141) 0.794 36.820 ( -0.119 -0.183 0.196) 0.293 68.272 ( -0.395 -0.603 0.164) 0.739 68.556 ( -0.093 -0.162 0.044) 0.192 69.566 ( 0.222 0.419 -0.019) 0.474 69.991 ( 3.520 4.370 -4.587) 7.247 70.523 ( -1.298 -1.816 4.039) 4.615 70.842 ( 0.100 0.278 -0.000) 0.295 71.165 ( 0.832 0.943 -2.383) 2.694 72.360 ( -2.319 -2.789 2.359) 4.327 ======================= Grid point 173 (34/112) ======================= q-point: ( 0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 13.651 14.116 -5.196) 20.313 1.921 ( 6.869 22.123 -0.494) 23.170 2.900 ( 4.656 11.436 -2.012) 12.511 3.128 ( 4.487 2.064 -12.172) 13.136 3.801 ( 20.314 12.331 3.654) 24.043 4.110 ( 7.049 0.998 6.951) 9.950 5.188 ( -3.169 -5.179 -0.963) 6.147 5.883 ( -4.926 5.813 -1.533) 7.773 6.417 ( 2.865 -0.474 2.487) 3.823 6.747 ( 5.069 6.472 5.363) 9.815 7.436 ( -2.255 -6.305 -17.311) 18.561 8.041 ( 4.888 4.437 0.491) 6.620 8.231 ( -6.136 -5.106 12.729) 15.025 8.624 ( -0.937 1.927 0.490) 2.198 8.823 ( 3.887 1.390 0.661) 4.181 11.866 ( -0.961 -0.586 -0.398) 1.194 11.888 ( 0.168 -0.055 -0.860) 0.878 12.639 ( 8.951 8.564 -0.081) 12.389 30.700 ( -1.071 -1.052 -0.025) 1.502 32.157 ( -1.074 -0.851 0.101) 1.374 32.303 ( 0.041 -0.159 -0.417) 0.448 32.602 ( -0.570 -0.532 -0.031) 0.780 32.722 ( 0.038 0.042 -0.463) 0.467 32.900 ( -1.105 -1.139 0.388) 1.633 36.664 ( -0.496 -0.120 0.169) 0.537 36.707 ( 0.348 -0.209 0.065) 0.411 36.779 ( -0.706 -0.298 -0.174) 0.785 36.817 ( -0.007 -0.269 0.143) 0.305 68.261 ( -0.261 -0.391 0.061) 0.474 68.552 ( -0.109 -0.187 0.049) 0.222 69.575 ( 0.172 0.508 -0.061) 0.540 70.090 ( 3.116 3.216 -3.200) 5.504 70.489 ( -0.811 -1.202 3.154) 3.471 70.847 ( 0.061 0.374 -0.022) 0.380 71.184 ( 0.553 0.401 -1.806) 1.931 72.294 ( -2.131 -2.163 1.325) 3.313 ======================= Grid point 174 (35/112) ======================= q-point: ( 0.33 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 13.838 10.392 -8.174) 19.139 2.227 ( 3.751 17.538 -1.439) 17.992 3.049 ( 0.478 6.364 -4.061) 7.565 3.156 ( -0.787 1.610 -11.083) 11.227 3.986 ( 0.607 -1.167 8.830) 8.927 4.451 ( 18.027 6.065 2.538) 19.189 5.110 ( -0.280 -3.819 0.721) 3.897 5.858 ( -5.164 7.039 -1.520) 8.861 6.438 ( -1.137 1.974 2.180) 3.153 6.860 ( 1.784 2.551 3.367) 4.585 7.339 ( -0.332 -6.205 -11.317) 12.910 8.085 ( -0.965 -3.420 6.812) 7.683 8.189 ( 2.215 3.512 2.194) 4.696 8.629 ( -0.827 2.088 0.080) 2.247 8.902 ( 3.518 0.625 0.922) 3.690 11.844 ( -0.844 -0.348 -0.260) 0.950 11.892 ( 0.323 -0.224 -0.857) 0.942 12.861 ( 6.805 5.893 -0.057) 9.003 30.674 ( -0.757 -0.721 -0.055) 1.047 32.132 ( -0.897 -0.480 0.099) 1.022 32.302 ( 0.050 -0.258 -0.239) 0.355 32.587 ( -0.439 -0.402 -0.013) 0.595 32.722 ( -0.016 -0.019 -0.190) 0.192 32.874 ( -0.712 -0.807 0.212) 1.097 36.655 ( -0.465 0.002 0.195) 0.504 36.709 ( 0.268 -0.355 0.152) 0.470 36.765 ( -0.597 -0.048 -0.190) 0.629 36.815 ( 0.141 -0.299 0.064) 0.337 68.255 ( -0.103 -0.252 0.045) 0.276 68.548 ( -0.082 -0.184 0.052) 0.208 69.582 ( 0.035 0.530 -0.101) 0.540 70.167 ( 2.221 2.170 -2.590) 4.043 70.467 ( -0.454 -0.914 2.803) 2.983 70.852 ( -0.036 0.439 -0.036) 0.442 71.194 ( 0.375 0.080 -1.574) 1.620 72.242 ( -1.512 -1.480 0.771) 2.252 ======================= Grid point 175 (36/112) ======================= q-point: ( 0.42 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 10.296 6.048 -7.527) 14.115 2.405 ( -0.822 11.046 -1.890) 11.237 3.047 ( -0.835 -2.139 -10.452) 10.701 3.172 ( -4.834 8.853 -3.599) 10.710 3.942 ( -2.808 -1.706 8.076) 8.719 4.726 ( 8.853 -0.767 -0.171) 8.888 5.083 ( 0.900 -3.817 2.590) 4.699 5.849 ( -4.406 7.945 -1.132) 9.155 6.426 ( -2.758 2.936 1.772) 4.401 6.864 ( -1.446 -1.455 -0.788) 2.197 7.315 ( 2.648 -2.722 -4.946) 6.236 8.053 ( 0.913 -2.038 5.518) 5.953 8.248 ( 0.628 1.921 1.413) 2.466 8.635 ( -0.799 1.730 -0.238) 1.920 8.954 ( 1.914 -0.508 1.110) 2.271 11.831 ( -0.341 -0.001 -0.154) 0.374 11.895 ( 0.363 -0.355 -0.817) 0.962 12.990 ( 2.351 2.427 -0.032) 3.379 30.659 ( -0.230 -0.334 -0.051) 0.409 32.117 ( -0.430 -0.037 0.089) 0.440 32.300 ( 0.121 -0.276 -0.161) 0.341 32.579 ( -0.139 -0.201 -0.005) 0.245 32.722 ( 0.002 -0.010 -0.065) 0.066 32.859 ( -0.154 -0.444 0.151) 0.493 36.648 ( -0.299 0.156 0.186) 0.385 36.709 ( 0.199 -0.434 0.181) 0.510 36.758 ( -0.329 0.197 -0.189) 0.428 36.816 ( 0.251 -0.301 0.044) 0.394 68.252 ( 0.017 -0.170 0.044) 0.176 68.546 ( -0.005 -0.144 0.048) 0.152 69.586 ( -0.152 0.477 -0.125) 0.516 70.213 ( 0.902 1.125 -2.371) 2.775 70.453 ( -0.207 -0.741 2.690) 2.798 70.854 ( -0.164 0.441 -0.039) 0.472 71.199 ( 0.244 -0.114 -1.470) 1.495 72.212 ( -0.488 -0.705 0.513) 0.999 ======================= Grid point 176 (37/112) ======================= q-point: (-0.50 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -3.352 -1.969 -0.647) 3.940 2.440 ( -3.668 5.267 -2.839) 7.018 3.036 ( 0.962 0.477 -11.552) 11.602 3.151 ( -6.631 8.240 -5.713) 12.021 3.871 ( -3.458 -0.729 7.051) 7.887 4.746 ( -2.236 -7.928 0.307) 8.243 5.052 ( 0.344 -2.927 1.650) 3.377 5.868 ( -3.113 8.754 -0.605) 9.310 6.407 ( -2.574 2.674 1.184) 3.896 6.798 ( -3.515 -2.130 -2.995) 5.086 7.363 ( 4.820 -1.415 -2.901) 5.801 8.075 ( 3.288 -1.176 5.906) 6.861 8.247 ( -2.050 0.354 1.390) 2.502 8.633 ( -1.245 1.443 -0.315) 1.931 8.957 ( -0.300 -1.793 1.231) 2.195 11.833 ( 0.286 0.333 -0.108) 0.452 11.897 ( 0.310 -0.432 -0.744) 0.915 12.990 ( -3.241 -0.811 -0.019) 3.341 30.659 ( 0.401 0.031 -0.052) 0.406 32.116 ( 0.207 0.340 0.073) 0.404 32.300 ( 0.195 -0.236 -0.155) 0.343 32.579 ( 0.233 0.016 -0.009) 0.234 32.722 ( 0.047 0.005 -0.049) 0.068 32.859 ( 0.472 -0.085 0.153) 0.503 36.648 ( -0.066 0.315 0.154) 0.357 36.708 ( 0.154 -0.430 0.136) 0.477 36.758 ( 0.031 0.379 -0.177) 0.419 36.817 ( 0.292 -0.303 0.108) 0.434 68.251 ( 0.107 -0.110 0.032) 0.157 68.545 ( 0.096 -0.077 0.037) 0.129 69.586 ( -0.338 0.367 -0.126) 0.514 70.220 ( -0.847 -0.004 -2.268) 2.421 70.446 ( 0.195 -0.393 2.591) 2.628 70.855 ( -0.279 0.367 -0.032) 0.462 71.201 ( 0.079 -0.234 -1.428) 1.449 72.211 ( 0.762 0.039 0.481) 0.902 ======================= Grid point 177 (38/112) ======================= q-point: (-0.42 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -12.491 -9.852 2.120) 16.050 2.336 ( -13.896 3.979 0.588) 14.466 3.006 ( -8.210 3.890 -4.420) 10.103 3.177 ( 2.874 2.555 -16.708) 17.145 3.789 ( -5.666 -0.593 6.391) 8.561 4.485 ( -13.299 -12.551 3.640) 18.645 5.065 ( 3.108 -0.334 -1.133) 3.325 5.913 ( -2.333 8.942 0.111) 9.242 6.385 ( -2.075 0.626 0.456) 2.215 6.695 ( -6.292 -0.481 -3.601) 7.266 7.450 ( 6.475 -1.913 -4.591) 8.165 8.131 ( 2.160 -2.278 5.005) 5.908 8.200 ( -0.767 0.595 4.537) 4.640 8.624 ( -1.440 1.660 -0.129) 2.201 8.909 ( -2.243 -2.698 1.274) 3.733 11.847 ( 0.765 0.507 -0.165) 0.933 11.897 ( 0.192 -0.436 -0.666) 0.819 12.862 ( -8.469 -2.956 -0.019) 8.970 30.674 ( 1.005 0.297 -0.056) 1.049 32.130 ( 0.830 0.547 0.059) 0.996 32.302 ( 0.203 -0.178 -0.226) 0.352 32.587 ( 0.556 0.182 -0.024) 0.585 32.723 ( 0.064 -0.007 -0.148) 0.161 32.874 ( 1.069 0.212 0.220) 1.112 36.652 ( 0.155 0.434 0.109) 0.473 36.706 ( 0.094 -0.375 0.048) 0.389 36.766 ( 0.390 0.459 -0.153) 0.622 36.819 ( 0.279 -0.301 0.208) 0.460 68.254 ( 0.224 -0.031 0.008) 0.226 68.547 ( 0.180 -0.010 0.026) 0.182 69.582 ( -0.473 0.231 -0.101) 0.536 70.181 ( -2.785 -1.035 -2.337) 3.780 70.454 ( 0.857 0.134 2.565) 2.707 70.852 ( -0.342 0.242 -0.016) 0.420 71.197 ( -0.199 -0.318 -1.476) 1.523 72.239 ( 1.976 0.599 0.698) 2.180 ======================= Grid point 178 (39/112) ======================= q-point: (-0.33 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -17.237 -12.367 3.014) 21.428 2.040 ( -22.059 2.584 1.900) 22.291 2.856 ( -11.780 2.657 -3.733) 12.640 3.168 ( -6.977 -4.484 -12.493) 14.995 3.610 ( -14.020 -3.035 0.385) 14.350 4.125 ( -9.735 -7.536 6.478) 13.911 5.154 ( 5.996 1.515 -2.350) 6.616 5.959 ( -2.208 7.265 0.896) 7.646 6.333 ( -2.044 -3.737 -0.521) 4.291 6.577 ( -8.374 3.986 -2.514) 9.609 7.542 ( 6.090 -3.053 -8.653) 11.013 8.038 ( -6.566 -2.000 0.400) 6.875 8.308 ( 9.121 0.154 12.408) 15.401 8.619 ( -1.115 1.814 0.230) 2.141 8.828 ( -3.356 -2.740 1.243) 4.507 11.868 ( 0.956 0.426 -0.346) 1.102 11.895 ( 0.058 -0.353 -0.620) 0.715 12.640 ( -11.861 -3.514 -0.032) 12.371 30.700 ( 1.455 0.402 -0.022) 1.510 32.155 ( 1.253 0.549 0.053) 1.369 32.303 ( 0.107 -0.127 -0.409) 0.441 32.601 ( 0.735 0.241 -0.047) 0.775 32.724 ( -0.022 -0.059 -0.408) 0.413 32.901 ( 1.552 0.373 0.401) 1.646 36.661 ( 0.298 0.463 0.064) 0.555 36.703 ( -0.001 -0.290 -0.024) 0.291 36.780 ( 0.647 0.405 -0.124) 0.773 36.821 ( 0.243 -0.267 0.272) 0.452 68.259 ( 0.417 0.078 0.004) 0.425 68.551 ( 0.211 0.032 0.023) 0.215 69.575 ( -0.522 0.103 -0.060) 0.535 70.102 ( -4.379 -1.534 -2.972) 5.510 70.479 ( 1.540 0.501 2.957) 3.372 70.848 ( -0.342 0.110 0.002) 0.360 71.186 ( -0.626 -0.370 -1.717) 1.865 72.292 ( 2.919 0.854 1.255) 3.290 ======================= Grid point 179 (40/112) ======================= q-point: (-0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -19.850 -10.982 3.978) 23.031 1.614 ( -26.393 -0.154 1.703) 26.448 2.640 ( -15.343 -1.565 -1.010) 15.456 2.761 ( -29.118 -2.856 0.376) 29.260 3.237 ( -19.167 -7.059 -5.941) 21.272 4.059 ( 3.099 1.202 0.670) 3.391 5.302 ( 8.049 2.071 -1.581) 8.460 5.973 ( -1.893 2.005 0.879) 2.894 6.249 ( -2.867 -2.144 -0.172) 3.585 6.481 ( -8.287 6.029 -0.890) 10.287 7.584 ( 2.193 -4.408 -14.304) 15.127 7.893 ( -7.575 -0.771 -0.550) 7.634 8.500 ( 11.982 -0.880 15.209) 19.382 8.623 ( 0.103 1.603 1.961) 2.535 8.741 ( -3.325 -1.654 1.456) 3.990 11.886 ( 0.548 -0.066 -0.548) 0.778 11.894 ( 0.263 -0.003 -0.720) 0.767 12.385 ( -12.428 -2.443 -0.052) 12.666 30.732 ( 1.683 0.313 0.136) 1.718 32.184 ( 1.355 0.367 0.059) 1.405 32.302 ( -0.122 -0.085 -0.764) 0.778 32.617 ( 0.738 0.179 -0.068) 0.762 32.720 ( -0.329 -0.136 -0.936) 1.002 32.936 ( 1.884 0.328 0.787) 2.068 36.672 ( 0.339 0.366 0.034) 0.500 36.700 ( -0.118 -0.162 -0.056) 0.208 36.796 ( 0.736 0.215 -0.103) 0.773 36.823 ( 0.191 -0.184 0.250) 0.365 68.271 ( 0.687 0.174 0.115) 0.718 68.555 ( 0.189 0.041 0.032) 0.196 69.566 ( -0.470 0.013 -0.017) 0.471 69.996 ( -5.602 -1.376 -4.488) 7.309 70.519 ( 2.324 0.582 3.974) 4.640 70.843 ( -0.286 0.010 0.017) 0.286 71.166 ( -1.259 -0.349 -2.346) 2.686 72.359 ( 3.578 0.748 2.326) 4.332 ======================= Grid point 184 (41/112) ======================= q-point: ( 0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 5.620 19.392 0.359) 20.193 2.044 ( 8.296 22.072 -0.878) 23.596 2.909 ( 8.523 11.553 -2.017) 14.497 3.105 ( 3.136 7.768 -12.206) 14.804 3.605 ( 15.698 17.838 2.831) 23.930 4.049 ( 0.944 1.361 5.804) 6.036 5.179 ( -2.754 -6.523 -1.800) 7.306 6.027 ( -1.157 5.883 -0.711) 6.038 6.312 ( 5.187 -0.153 1.579) 5.424 6.696 ( 8.660 4.798 0.486) 9.913 7.455 ( -6.716 -4.211 -12.535) 14.832 8.020 ( 3.274 5.416 0.261) 6.334 8.282 ( -6.394 -6.805 12.773) 15.822 8.649 ( 0.919 1.151 0.638) 1.605 8.789 ( 1.343 2.726 1.031) 3.209 11.873 ( -0.452 -0.732 -0.356) 0.931 11.888 ( -0.275 -0.063 -0.783) 0.832 12.602 ( 6.251 10.911 -0.065) 12.575 30.704 ( -0.785 -1.354 -0.010) 1.565 32.162 ( -0.614 -1.143 0.072) 1.299 32.302 ( -0.075 -0.118 -0.440) 0.461 32.604 ( -0.384 -0.690 -0.043) 0.791 32.722 ( -0.003 0.083 -0.500) 0.507 32.905 ( -0.863 -1.463 0.440) 1.754 36.668 ( -0.078 -0.293 0.085) 0.315 36.700 ( 0.052 -0.093 0.033) 0.112 36.785 ( -0.324 -0.506 -0.153) 0.620 36.816 ( -0.275 -0.223 0.224) 0.419 68.261 ( -0.216 -0.475 0.043) 0.523 68.552 ( -0.099 -0.216 0.041) 0.241 69.576 ( 0.307 0.531 -0.129) 0.627 70.082 ( 2.092 4.267 -3.100) 5.673 70.487 ( -0.621 -1.611 3.076) 3.528 70.849 ( 0.196 0.378 -0.025) 0.427 71.181 ( 0.283 0.625 -1.802) 1.928 72.302 ( -1.524 -2.784 1.410) 3.473 ======================= Grid point 185 (42/112) ======================= q-point: ( 0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 8.327 15.322 -3.426) 17.772 2.367 ( 3.820 18.881 -0.999) 19.290 3.076 ( -0.141 -0.723 -11.982) 12.005 3.217 ( 3.410 12.518 -5.396) 14.052 3.942 ( 4.985 1.546 6.335) 8.208 4.208 ( 13.623 8.257 4.734) 16.619 5.077 ( -1.585 -5.224 -0.577) 5.489 6.049 ( -4.920 9.203 -1.436) 10.534 6.410 ( 5.345 -0.474 1.953) 5.710 6.867 ( 3.921 4.698 2.006) 6.440 7.285 ( -4.075 -7.195 -10.000) 12.976 8.070 ( -1.137 -2.347 5.296) 5.903 8.193 ( 0.749 2.150 3.921) 4.534 8.672 ( -0.533 2.461 0.339) 2.541 8.847 ( 2.827 0.958 1.074) 3.172 11.855 ( -0.740 -0.439 -0.255) 0.897 11.884 ( 0.062 -0.362 -0.800) 0.880 12.816 ( 6.026 8.103 -0.057) 10.098 30.678 ( -0.704 -0.995 -0.050) 1.220 32.140 ( -0.681 -0.693 0.078) 0.974 32.298 ( -0.047 -0.306 -0.239) 0.391 32.590 ( -0.404 -0.562 -0.018) 0.692 32.722 ( -0.024 -0.012 -0.245) 0.246 32.876 ( -0.727 -1.109 0.252) 1.350 36.663 ( -0.342 -0.009 0.146) 0.372 36.700 ( 0.215 -0.411 0.132) 0.482 36.775 ( -0.444 -0.122 -0.185) 0.497 36.810 ( -0.050 -0.402 0.121) 0.423 68.253 ( -0.127 -0.328 0.040) 0.354 68.548 ( -0.093 -0.231 0.056) 0.255 69.587 ( 0.179 0.636 -0.270) 0.713 70.157 ( 1.891 3.041 -2.220) 4.213 70.463 ( -0.408 -1.244 2.546) 2.863 70.857 ( 0.105 0.527 -0.071) 0.542 71.189 ( 0.228 0.167 -1.541) 1.567 72.250 ( -1.373 -2.031 0.851) 2.595 ======================= Grid point 186 (43/112) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 8.531 10.679 -5.608) 14.774 2.560 ( -1.178 12.772 0.099) 12.827 3.024 ( -0.582 -4.089 -13.772) 14.378 3.382 ( -2.820 15.394 -2.234) 15.809 3.964 ( -0.751 -0.044 5.923) 5.971 4.514 ( 12.645 -0.198 1.509) 12.736 5.017 ( 0.644 -4.748 1.074) 4.911 6.050 ( -6.043 10.430 -1.175) 12.111 6.474 ( 1.370 0.746 1.343) 2.058 6.900 ( -3.198 1.187 0.756) 3.494 7.216 ( 3.334 -4.718 -5.271) 7.820 8.019 ( -0.230 -2.748 4.994) 5.705 8.253 ( 1.461 2.481 1.426) 3.213 8.681 ( -1.414 2.805 0.170) 3.146 8.902 ( 2.837 -0.637 1.120) 3.116 11.840 ( -0.613 -0.040 -0.198) 0.646 11.883 ( 0.346 -0.615 -0.768) 1.043 12.971 ( 3.525 4.480 -0.042) 5.701 30.660 ( -0.376 -0.589 -0.045) 0.700 32.125 ( -0.522 -0.171 0.076) 0.555 32.294 ( 0.072 -0.399 -0.134) 0.427 32.579 ( -0.232 -0.365 0.001) 0.433 32.722 ( -0.014 -0.019 -0.115) 0.118 32.857 ( -0.329 -0.740 0.175) 0.828 36.657 ( -0.393 0.240 0.179) 0.494 36.699 ( 0.279 -0.582 0.204) 0.677 36.767 ( -0.436 0.207 -0.189) 0.519 36.806 ( 0.223 -0.509 0.026) 0.556 68.249 ( -0.010 -0.240 0.051) 0.246 68.544 ( -0.031 -0.208 0.066) 0.220 69.595 ( -0.061 0.652 -0.385) 0.760 70.210 ( 1.123 1.900 -1.729) 2.804 70.446 ( -0.171 -1.059 2.259) 2.500 70.863 ( -0.090 0.606 -0.105) 0.622 71.194 ( 0.217 -0.125 -1.423) 1.445 72.213 ( -0.748 -1.217 0.556) 1.533 ======================= Grid point 187 (44/112) ======================= q-point: ( 0.42 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 3.067 3.542 -4.111) 6.233 2.588 ( -5.367 6.555 -0.455) 8.484 3.005 ( 1.827 -1.638 -12.326) 12.568 3.427 ( -9.226 14.464 -2.782) 17.379 3.937 ( -3.118 1.581 4.821) 5.955 4.632 ( 5.042 -7.968 0.089) 9.430 4.994 ( 1.673 -4.213 1.660) 4.827 6.058 ( -5.339 11.232 -0.619) 12.452 6.476 ( -1.806 0.674 0.425) 1.974 6.842 ( -3.012 0.313 -0.982) 3.183 7.253 ( 4.367 -3.206 -2.087) 5.806 8.010 ( 1.823 -1.972 4.467) 5.212 8.279 ( -0.618 0.930 1.230) 1.661 8.682 ( -1.688 2.701 0.045) 3.185 8.927 ( 1.296 -2.003 1.205) 2.672 11.835 ( -0.132 0.311 -0.152) 0.371 11.883 ( 0.481 -0.720 -0.725) 1.129 13.027 ( -0.682 1.204 -0.030) 1.384 30.653 ( 0.126 -0.220 -0.040) 0.257 32.119 ( -0.146 0.226 0.068) 0.277 32.293 ( 0.226 -0.378 -0.099) 0.451 32.575 ( 0.082 -0.148 0.007) 0.170 32.722 ( 0.017 -0.006 -0.070) 0.072 32.850 ( 0.223 -0.381 0.156) 0.468 36.655 ( -0.265 0.421 0.177) 0.528 36.698 ( 0.298 -0.601 0.211) 0.703 36.764 ( -0.240 0.404 -0.192) 0.508 36.807 ( 0.381 -0.530 0.022) 0.653 68.248 ( 0.093 -0.177 0.052) 0.207 68.542 ( 0.073 -0.146 0.065) 0.175 69.598 ( -0.326 0.560 -0.429) 0.777 70.233 ( -0.192 0.793 -1.516) 1.722 70.436 ( 0.181 -0.755 2.114) 2.252 70.865 ( -0.313 0.552 -0.116) 0.645 71.195 ( 0.193 -0.265 -1.370) 1.409 72.199 ( 0.234 -0.467 0.452) 0.691 ======================= Grid point 189 (45/112) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -10.499 -5.441 -0.102) 11.826 2.570 ( -6.092 6.231 -1.002) 8.772 3.041 ( 3.153 -0.690 -13.597) 13.974 3.362 ( -12.131 10.531 -4.079) 16.575 3.889 ( -4.422 2.680 4.804) 7.058 4.527 ( -5.258 -11.555 1.928) 12.841 4.998 ( 2.882 -1.956 0.363) 3.502 6.090 ( -4.483 11.254 -0.091) 12.114 6.428 ( -2.801 -1.790 -0.188) 3.330 6.804 ( -3.771 3.602 -2.428) 5.753 7.299 ( 5.592 -4.812 -2.007) 7.645 8.041 ( 3.642 -1.841 5.410) 6.776 8.251 ( -2.833 0.024 1.421) 3.170 8.677 ( -1.866 2.592 0.001) 3.194 8.906 ( -0.700 -2.773 1.311) 3.146 11.841 ( 0.398 0.468 -0.153) 0.633 11.885 ( 0.479 -0.663 -0.693) 1.072 12.971 ( -5.619 -0.824 -0.028) 5.679 30.660 ( 0.697 0.032 -0.046) 0.699 32.124 ( 0.384 0.379 0.060) 0.543 32.295 ( 0.319 -0.268 -0.127) 0.436 32.579 ( 0.425 0.021 -0.003) 0.426 32.722 ( 0.048 -0.010 -0.099) 0.111 32.857 ( 0.813 -0.088 0.178) 0.837 36.656 ( -0.060 0.492 0.149) 0.518 36.698 ( 0.293 -0.501 0.158) 0.601 36.767 ( 0.057 0.456 -0.191) 0.498 36.809 ( 0.426 -0.484 0.101) 0.653 68.249 ( 0.191 -0.103 0.039) 0.220 68.544 ( 0.177 -0.067 0.055) 0.197 69.595 ( -0.536 0.379 -0.385) 0.761 70.217 ( -1.910 -0.224 -1.597) 2.499 70.439 ( 0.727 -0.188 2.131) 2.259 70.863 ( -0.468 0.375 -0.099) 0.607 71.195 ( 0.059 -0.284 -1.380) 1.411 72.212 ( 1.373 0.070 0.525) 1.472 ======================= Grid point 190 (46/112) ======================= q-point: (-0.42 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -16.405 -6.970 0.495) 17.832 2.415 ( -16.176 1.898 0.091) 16.288 3.071 ( -2.454 0.866 -10.508) 10.825 3.225 ( -9.085 2.248 -9.051) 13.020 3.832 ( -7.591 4.947 5.065) 10.380 4.238 ( -12.452 -9.148 5.257) 16.321 5.062 ( 5.092 0.224 -1.226) 5.242 6.106 ( -4.903 6.430 0.250) 8.090 6.348 ( -2.921 -2.224 -0.152) 3.674 6.768 ( -6.426 6.528 -2.205) 9.422 7.365 ( 7.855 -5.678 -5.620) 11.204 8.086 ( 1.600 -1.668 4.560) 5.112 8.202 ( -0.360 -0.347 4.924) 4.949 8.668 ( -1.878 1.965 0.123) 2.721 8.851 ( -2.232 -2.267 1.338) 3.451 11.856 ( 0.751 0.318 -0.228) 0.847 11.887 ( 0.361 -0.451 -0.702) 0.909 12.817 ( -10.013 -1.212 -0.040) 10.086 30.678 ( 1.215 0.114 -0.050) 1.222 32.140 ( 0.925 0.291 0.059) 0.972 32.298 ( 0.289 -0.128 -0.234) 0.393 32.590 ( 0.683 0.082 -0.023) 0.688 32.723 ( 0.040 -0.032 -0.225) 0.231 32.877 ( 1.331 0.060 0.256) 1.357 36.662 ( 0.142 0.380 0.109) 0.420 36.698 ( 0.221 -0.258 0.087) 0.351 36.775 ( 0.355 0.299 -0.176) 0.497 36.812 ( 0.403 -0.341 0.190) 0.561 68.253 ( 0.326 -0.010 0.022) 0.327 68.547 ( 0.239 -0.003 0.044) 0.243 69.587 ( -0.639 0.166 -0.270) 0.713 70.163 ( -3.519 -0.671 -2.100) 4.152 70.458 ( 1.242 0.239 2.434) 2.744 70.857 ( -0.500 0.152 -0.063) 0.527 71.191 ( -0.238 -0.219 -1.499) 1.534 72.248 ( 2.421 0.273 0.819) 2.570 ======================= Grid point 198 (47/112) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 4.159 13.202 -2.209) 14.016 2.649 ( 4.398 7.462 1.146) 8.737 3.013 ( -3.061 -3.301 -15.248) 15.899 3.501 ( 8.203 12.744 -2.641) 15.384 3.959 ( 3.333 1.333 3.264) 4.852 4.368 ( 2.924 5.872 3.162) 7.282 4.980 ( -1.732 -3.850 0.285) 4.231 6.224 ( 0.035 6.393 -1.067) 6.481 6.398 ( 3.957 -0.082 0.781) 4.035 6.914 ( 4.795 -0.560 -1.611) 5.090 7.186 ( -5.771 -1.651 -2.336) 6.441 8.012 ( -2.079 -2.419 4.955) 5.893 8.251 ( 1.547 2.595 1.385) 3.324 8.716 ( 1.187 1.642 0.175) 2.034 8.865 ( 0.267 0.875 1.320) 1.606 11.848 ( -0.218 -0.309 -0.172) 0.416 11.875 ( -0.327 -0.438 -0.731) 0.913 12.962 ( 3.236 5.628 -0.040) 6.492 30.660 ( -0.402 -0.698 -0.043) 0.806 32.129 ( -0.218 -0.406 0.060) 0.465 32.291 ( -0.184 -0.306 -0.116) 0.375 32.579 ( -0.249 -0.438 0.003) 0.504 32.722 ( -0.028 -0.023 -0.134) 0.139 32.856 ( -0.470 -0.808 0.189) 0.954 36.663 ( 0.040 0.041 0.152) 0.163 36.692 ( -0.147 -0.354 0.197) 0.431 36.773 ( -0.003 -0.042 -0.200) 0.205 36.801 ( -0.303 -0.364 0.067) 0.478 68.248 ( -0.104 -0.201 0.048) 0.231 68.543 ( -0.097 -0.188 0.069) 0.222 69.599 ( 0.296 0.508 -0.521) 0.786 70.212 ( 1.029 2.212 -1.317) 2.772 70.439 ( -0.338 -0.990 1.962) 2.223 70.867 ( 0.262 0.462 -0.138) 0.549 71.191 ( -0.041 -0.002 -1.376) 1.377 72.213 ( -0.782 -1.416 0.562) 1.713 ======================= Grid point 199 (48/112) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 3.311 6.870 -3.093) 8.229 2.729 ( -2.308 4.340 2.252) 5.407 2.945 ( 0.574 -3.412 -14.276) 14.690 3.714 ( -2.259 15.189 -1.615) 15.441 4.000 ( -0.850 3.113 0.682) 3.298 4.441 ( 5.406 -6.423 1.354) 8.503 4.928 ( 0.367 -3.528 1.136) 3.725 6.257 ( -4.152 8.782 -0.961) 9.762 6.456 ( 2.807 -2.223 0.157) 3.585 6.906 ( -2.589 -0.458 -0.337) 2.651 7.162 ( 2.270 -0.749 -0.825) 2.529 7.974 ( 0.039 -1.537 3.768) 4.069 8.290 ( 0.463 1.097 0.973) 1.538 8.740 ( -1.017 2.674 0.314) 2.878 8.879 ( 1.397 -1.479 1.238) 2.382 11.843 ( -0.311 0.284 -0.157) 0.450 11.868 ( 0.238 -0.763 -0.708) 1.068 13.042 ( 0.970 2.316 -0.037) 2.511 30.650 ( -0.100 -0.325 -0.031) 0.341 32.124 ( -0.158 0.019 0.057) 0.168 32.287 ( 0.032 -0.315 -0.058) 0.322 32.573 ( -0.064 -0.223 0.020) 0.233 32.721 ( -0.004 -0.010 -0.098) 0.099 32.844 ( -0.083 -0.446 0.169) 0.484 36.664 ( -0.215 0.405 0.169) 0.489 36.687 ( 0.180 -0.578 0.262) 0.659 36.773 ( -0.215 0.341 -0.182) 0.442 36.795 ( 0.162 -0.556 -0.035) 0.580 68.245 ( 0.005 -0.144 0.062) 0.157 68.540 ( -0.006 -0.135 0.083) 0.159 69.607 ( -0.032 0.440 -0.688) 0.817 70.243 ( 0.313 1.158 -0.759) 1.420 70.426 ( -0.044 -0.760 1.587) 1.760 70.874 ( -0.039 0.440 -0.189) 0.480 71.190 ( 0.066 -0.160 -1.311) 1.322 72.193 ( -0.200 -0.670 0.445) 0.829 ======================= Grid point 200 (49/112) ======================= q-point: (-0.58 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -5.169 -1.164 -1.761) 5.583 2.708 ( -3.597 4.921 -0.191) 6.098 2.962 ( 3.650 -2.611 -12.455) 13.239 3.705 ( -12.586 9.779 -1.969) 16.059 3.996 ( -3.410 3.064 0.607) 4.624 4.440 ( 2.991 -8.014 1.344) 8.659 4.926 ( 2.598 -1.904 1.071) 3.395 6.274 ( -4.055 8.091 -0.566) 9.067 6.437 ( -1.207 -3.502 -0.378) 3.724 6.885 ( -0.793 2.983 -0.788) 3.186 7.182 ( 1.921 -3.265 -0.311) 3.801 7.977 ( 1.676 -1.014 3.855) 4.324 8.289 ( -1.230 0.177 0.959) 1.569 8.739 ( -1.932 2.261 0.266) 2.986 8.880 ( 0.705 -1.994 1.286) 2.475 11.843 ( -0.065 0.396 -0.149) 0.428 11.868 ( 0.578 -0.608 -0.698) 1.091 13.042 ( -2.483 0.314 -0.035) 2.503 30.650 ( 0.331 -0.075 -0.031) 0.341 32.123 ( 0.054 0.151 0.054) 0.169 32.287 ( 0.261 -0.188 -0.056) 0.327 32.573 ( 0.223 -0.055 0.019) 0.230 32.721 ( 0.018 -0.005 -0.096) 0.098 32.844 ( 0.430 -0.152 0.169) 0.486 36.664 ( -0.251 0.396 0.167) 0.498 36.687 ( 0.379 -0.430 0.254) 0.627 36.773 ( -0.202 0.358 -0.189) 0.453 36.796 ( 0.452 -0.441 -0.017) 0.632 68.245 ( 0.117 -0.074 0.061) 0.151 68.540 ( 0.114 -0.058 0.082) 0.152 69.607 ( -0.367 0.248 -0.689) 0.819 70.244 ( -1.008 0.219 -0.730) 1.264 70.425 ( 0.537 -0.257 1.558) 1.668 70.874 ( -0.359 0.252 -0.189) 0.478 71.190 ( 0.128 -0.150 -1.304) 1.319 72.193 ( 0.661 -0.151 0.441) 0.808 ======================= Grid point 211 (50/112) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -0.000 -0.000 -1.655) 1.655 2.788 ( -0.000 -0.000 4.472) 4.472 2.889 ( -0.000 0.000 -16.385) 16.385 3.915 ( -0.000 -0.000 2.654) 2.654 4.046 ( -0.000 -0.000 -7.437) 7.437 4.331 ( 0.000 0.000 3.277) 3.277 4.887 ( -0.000 -0.000 1.143) 1.143 6.387 ( -0.000 -0.000 -0.850) 0.850 6.398 ( -0.000 0.000 -0.391) 0.391 6.898 ( -0.000 -0.000 0.125) 0.125 7.157 ( -0.000 -0.000 0.130) 0.130 7.958 ( -0.000 -0.000 3.340) 3.340 8.300 ( -0.000 -0.000 0.787) 0.787 8.776 ( -0.000 -0.000 0.336) 0.336 8.855 ( -0.000 -0.000 1.330) 1.330 11.850 ( 0.000 0.000 0.353) 0.353 11.855 ( -0.000 -0.000 -1.190) 1.190 13.066 ( -0.000 -0.000 -0.038) 0.038 30.647 ( -0.000 -0.000 -0.025) 0.025 32.124 ( -0.000 -0.000 0.050) 0.050 32.283 ( -0.000 -0.000 -0.030) 0.030 32.570 ( -0.000 -0.000 0.029) 0.029 32.721 ( -0.000 -0.000 -0.101) 0.101 32.840 ( -0.000 -0.000 0.171) 0.171 36.671 ( 0.000 -0.000 0.063) 0.063 36.678 ( -0.000 -0.000 0.396) 0.396 36.779 ( -0.000 -0.000 -0.160) 0.160 36.786 ( -0.000 -0.000 -0.085) 0.085 68.244 ( -0.000 -0.000 0.068) 0.068 68.539 ( -0.000 -0.000 0.092) 0.092 69.612 ( -0.000 -0.000 -0.819) 0.819 70.255 ( -0.000 -0.000 -0.284) 0.284 70.418 ( -0.000 -0.000 1.234) 1.234 70.879 ( -0.000 -0.000 -0.229) 0.229 71.188 ( -0.000 -0.000 -1.271) 1.271 72.186 ( -0.000 -0.000 0.416) 0.416 ======================= Grid point 314 (51/112) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 0.000 13.888) 13.888 0.710 ( -0.000 0.000 13.888) 13.888 1.626 ( 0.000 0.000 37.161) 37.161 2.204 ( 0.000 -0.000 -5.103) 5.103 2.204 ( 0.000 0.000 -5.103) 5.103 3.935 ( 0.000 -0.000 -24.923) 24.923 5.962 ( 0.000 -0.000 0.724) 0.724 5.962 ( 0.000 0.000 0.724) 0.724 6.333 ( 0.000 0.000 0.372) 0.372 6.333 ( 0.000 -0.000 0.372) 0.372 6.529 ( 0.000 0.000 5.288) 5.288 7.634 ( 0.000 -0.000 -0.296) 0.296 8.615 ( 0.000 -0.000 0.475) 0.475 8.615 ( 0.000 0.000 0.475) 0.475 9.518 ( 0.000 -0.000 0.208) 0.208 11.871 ( 0.000 -0.000 -0.920) 0.920 11.871 ( 0.000 0.000 -0.920) 0.920 11.968 ( 0.000 0.000 0.101) 0.101 30.830 ( 0.000 -0.000 -0.233) 0.233 32.233 ( 0.000 -0.000 0.098) 0.098 32.233 ( -0.000 0.000 0.098) 0.098 32.639 ( 0.000 0.000 -0.124) 0.124 32.639 ( 0.000 -0.000 -0.124) 0.124 33.053 ( 0.000 -0.000 -0.064) 0.064 36.688 ( 0.000 0.000 0.058) 0.058 36.688 ( 0.000 -0.000 0.058) 0.058 36.821 ( 0.000 0.000 -0.091) 0.091 36.821 ( 0.000 -0.000 -0.091) 0.091 68.340 ( 0.000 0.000 0.037) 0.037 68.562 ( 0.000 0.000 0.012) 0.012 69.554 ( 0.000 -0.000 0.037) 0.037 69.554 ( 0.000 0.000 0.037) 0.037 70.836 ( 0.000 -0.000 0.046) 0.046 70.836 ( 0.000 0.000 0.046) 0.046 70.921 ( 0.000 -0.000 -0.003) 0.003 72.636 ( 0.000 0.000 -0.063) 0.063 ======================= Grid point 315 (52/112) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 13.701 7.910 12.187) 19.971 1.059 ( 11.111 6.415 17.646) 21.817 1.788 ( 21.219 12.251 23.435) 33.904 2.263 ( 4.789 2.765 -5.251) 7.625 2.399 ( 13.887 8.018 -4.861) 16.756 3.933 ( 0.360 0.208 -21.649) 21.653 5.822 ( -13.984 -8.074 7.518) 17.812 5.922 ( -1.885 -1.089 0.817) 2.325 6.225 ( 7.756 4.478 1.548) 9.089 6.383 ( 2.459 1.419 0.277) 2.852 6.880 ( 13.490 7.789 -7.515) 17.295 7.673 ( 3.227 1.863 -0.248) 3.734 8.616 ( 0.005 0.003 0.465) 0.465 8.630 ( 1.329 0.767 0.158) 1.542 9.346 ( -12.542 -7.241 5.804) 15.602 11.867 ( -0.110 -0.063 -0.815) 0.825 11.879 ( 0.290 0.167 -1.146) 1.194 12.036 ( 5.474 3.160 0.007) 6.320 30.806 ( -1.692 -0.977 0.178) 1.961 32.226 ( -0.603 -0.348 0.092) 0.702 32.251 ( 1.181 0.682 -0.616) 1.496 32.636 ( -0.300 -0.173 -0.118) 0.366 32.656 ( 1.203 0.695 -0.614) 1.519 33.030 ( -1.710 -0.987 0.402) 2.015 36.686 ( -0.151 -0.087 0.059) 0.183 36.690 ( 0.252 0.146 -0.004) 0.292 36.815 ( -0.418 -0.242 -0.097) 0.493 36.824 ( 0.151 0.087 -0.062) 0.185 68.320 ( -1.285 -0.742 0.337) 1.522 68.561 ( -0.072 -0.042 0.021) 0.086 69.555 ( 0.153 0.088 0.035) 0.180 69.642 ( 6.216 3.589 -2.308) 7.540 70.745 ( -4.561 -2.634 2.543) 5.849 70.836 ( 0.067 0.039 0.044) 0.089 71.004 ( 3.935 2.272 -2.186) 5.042 72.580 ( -3.989 -2.303 1.459) 4.831 ======================= Grid point 316 (53/112) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 2.959 1.708 21.313) 21.585 1.266 ( 17.232 9.949 9.479) 22.040 2.424 ( 8.294 4.788 -5.459) 11.023 2.466 ( 23.492 13.563 -2.835) 27.274 2.832 ( 25.023 14.447 -0.228) 28.895 3.986 ( 4.601 2.656 -12.122) 13.235 5.514 ( -11.189 -6.460 5.546) 14.060 5.874 ( -2.130 -1.230 0.624) 2.537 6.437 ( 1.862 1.075 0.508) 2.210 6.488 ( 12.024 6.942 2.788) 14.161 7.087 ( 4.262 2.460 -12.842) 13.753 7.786 ( 6.012 3.471 -0.090) 6.943 8.614 ( -0.130 -0.075 0.435) 0.461 8.672 ( 1.594 0.921 -0.643) 1.950 9.013 ( -13.430 -7.754 11.409) 19.252 11.866 ( 0.039 0.022 -0.788) 0.789 11.879 ( -0.312 -0.180 -1.009) 1.071 12.220 ( 9.569 5.525 -0.048) 11.049 30.762 ( -1.836 -1.060 0.228) 2.132 32.205 ( -1.082 -0.625 0.088) 1.253 32.276 ( 0.815 0.471 -0.879) 1.288 32.625 ( -0.549 -0.317 -0.097) 0.641 32.685 ( 1.076 0.621 -0.867) 1.515 32.982 ( -2.092 -1.208 0.687) 2.511 36.681 ( -0.321 -0.186 0.083) 0.380 36.698 ( 0.366 0.211 -0.064) 0.428 36.802 ( -0.700 -0.404 -0.122) 0.818 36.826 ( 0.014 0.008 0.106) 0.107 68.291 ( -1.058 -0.611 0.256) 1.248 68.559 ( -0.118 -0.068 0.020) 0.138 69.561 ( 0.269 0.155 0.030) 0.312 69.803 ( 6.673 3.853 -3.611) 8.509 70.649 ( -3.349 -1.934 3.269) 5.064 70.839 ( 0.129 0.074 0.035) 0.152 71.080 ( 2.465 1.423 -2.554) 3.825 72.475 ( -4.415 -2.549 2.251) 5.573 ======================= Grid point 317 (54/112) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 8.561 4.943 9.509) 13.717 1.665 ( 15.502 8.950 7.121) 19.265 2.643 ( 9.479 5.472 -5.027) 12.044 2.767 ( 5.640 3.256 -17.210) 18.401 3.558 ( 30.092 17.374 5.100) 35.120 4.148 ( 8.148 4.704 -0.929) 9.454 5.283 ( -7.903 -4.563 1.238) 9.209 5.821 ( -2.245 -1.296 0.231) 2.603 6.466 ( 0.457 0.264 0.914) 1.056 6.748 ( 8.772 5.065 3.054) 10.580 7.129 ( 0.307 0.177 -12.582) 12.587 7.950 ( 7.285 4.206 0.228) 8.415 8.597 ( -9.286 -5.361 5.387) 11.999 8.610 ( -0.234 -0.135 0.318) 0.417 8.840 ( 0.723 0.418 5.765) 5.825 11.865 ( -0.745 -0.430 -0.656) 1.081 11.869 ( 0.130 0.075 -0.835) 0.849 12.476 ( 11.250 6.495 -0.053) 12.991 30.721 ( -1.583 -0.914 0.037) 1.828 32.176 ( -1.289 -0.744 0.088) 1.491 32.290 ( 0.386 0.223 -0.634) 0.775 32.610 ( -0.665 -0.384 -0.069) 0.771 32.705 ( 0.605 0.350 -0.599) 0.921 32.934 ( -1.840 -1.062 0.532) 2.190 36.672 ( -0.418 -0.241 0.125) 0.499 36.707 ( 0.339 0.196 -0.054) 0.395 36.783 ( -0.792 -0.457 -0.160) 0.928 36.825 ( -0.097 -0.056 0.241) 0.266 68.271 ( -0.626 -0.361 0.070) 0.726 68.556 ( -0.150 -0.086 0.018) 0.174 69.568 ( 0.314 0.181 0.020) 0.363 69.950 ( 5.482 3.165 -3.075) 7.037 70.583 ( -2.145 -1.239 2.920) 3.830 70.842 ( 0.158 0.091 0.022) 0.183 71.125 ( 1.371 0.791 -2.198) 2.708 72.376 ( -3.804 -2.196 1.720) 4.717 ======================= Grid point 318 (55/112) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 11.631 6.715 -2.168) 13.604 1.996 ( 11.886 6.862 4.560) 14.462 2.837 ( 1.043 0.602 -17.126) 17.168 2.856 ( 7.831 4.521 -3.720) 9.777 4.107 ( 11.769 6.795 5.862) 14.800 4.372 ( 12.263 7.080 3.085) 14.492 5.155 ( -2.305 -1.331 -1.216) 2.926 5.770 ( -1.870 -1.080 -0.295) 2.179 6.462 ( -0.659 -0.381 1.370) 1.568 6.877 ( 1.756 1.014 -0.975) 2.250 7.150 ( 2.005 1.157 -7.372) 7.727 8.117 ( 6.270 3.620 0.764) 7.281 8.373 ( -7.907 -4.565 7.438) 11.777 8.605 ( -0.119 -0.069 0.006) 0.138 8.906 ( 3.348 1.933 2.367) 4.533 11.846 ( -0.795 -0.459 -0.358) 0.985 11.872 ( 0.179 0.104 -0.910) 0.933 12.736 ( 9.867 5.697 -0.041) 11.393 30.687 ( -1.182 -0.683 -0.057) 1.366 32.146 ( -1.154 -0.666 0.093) 1.335 32.296 ( 0.142 0.082 -0.391) 0.424 32.595 ( -0.602 -0.348 -0.041) 0.697 32.716 ( 0.270 0.156 -0.285) 0.423 32.896 ( -1.325 -0.765 0.327) 1.565 36.661 ( -0.407 -0.235 0.173) 0.500 36.714 ( 0.229 0.132 0.016) 0.265 36.765 ( -0.667 -0.385 -0.199) 0.796 36.822 ( -0.099 -0.057 0.246) 0.271 68.260 ( -0.301 -0.174 0.017) 0.347 68.552 ( -0.151 -0.087 0.021) 0.176 69.575 ( 0.273 0.158 0.010) 0.315 70.063 ( 3.883 2.242 -2.415) 5.093 70.544 ( -1.218 -0.703 2.521) 2.887 70.846 ( 0.145 0.084 0.009) 0.168 71.150 ( 0.711 0.411 -1.920) 2.089 72.295 ( -2.846 -1.643 1.064) 3.454 ======================= Grid point 319 (56/112) ======================= q-point: ( 0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 11.872 6.854 -10.437) 17.230 2.228 ( 7.355 4.247 2.222) 8.779 2.836 ( -1.104 -0.637 -13.502) 13.562 2.999 ( 3.706 2.140 -2.108) 4.770 4.169 ( -2.480 -1.432 8.219) 8.704 4.664 ( 8.966 5.177 -1.007) 10.402 5.163 ( 1.807 1.043 0.705) 2.202 5.737 ( -0.741 -0.428 -0.848) 1.205 6.440 ( -0.995 -0.575 1.786) 2.124 6.863 ( -2.076 -1.198 -2.817) 3.699 7.213 ( 2.830 1.634 -3.936) 5.115 8.236 ( 3.383 1.953 1.442) 4.164 8.236 ( -3.417 -1.973 6.303) 7.436 8.605 ( 0.086 0.049 -0.486) 0.496 8.976 ( 2.267 1.309 1.844) 3.202 11.830 ( -0.460 -0.266 -0.189) 0.564 11.877 ( 0.182 0.105 -0.981) 1.004 12.928 ( 5.740 3.314 -0.026) 6.628 30.665 ( -0.640 -0.370 -0.071) 0.742 32.123 ( -0.693 -0.400 0.100) 0.806 32.298 ( 0.037 0.021 -0.252) 0.256 32.583 ( -0.361 -0.208 -0.021) 0.417 32.720 ( 0.105 0.061 -0.090) 0.151 32.872 ( -0.686 -0.396 0.207) 0.818 36.653 ( -0.277 -0.160 0.211) 0.383 36.717 ( 0.068 0.039 0.118) 0.142 36.753 ( -0.364 -0.210 -0.228) 0.478 36.821 ( -0.004 -0.002 0.165) 0.165 68.255 ( -0.114 -0.066 0.030) 0.135 68.549 ( -0.107 -0.062 0.031) 0.127 69.580 ( 0.158 0.091 0.001) 0.182 70.136 ( 2.138 1.234 -2.131) 3.261 70.522 ( -0.656 -0.379 2.378) 2.496 70.849 ( 0.094 0.054 -0.001) 0.108 71.162 ( 0.336 0.194 -1.803) 1.845 72.242 ( -1.566 -0.904 0.660) 1.925 ======================= Grid point 320 (57/112) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 9.178 5.299 -14.650) 18.082 2.342 ( 2.000 1.154 0.989) 2.512 2.779 ( -3.535 -2.041 -11.265) 11.982 3.025 ( -1.493 -0.862 -1.181) 2.090 4.091 ( -2.995 -1.729 9.205) 9.834 4.778 ( 0.895 0.517 -3.390) 3.544 5.172 ( -1.919 -1.108 2.979) 3.712 5.738 ( 0.894 0.516 -1.275) 1.641 6.419 ( -0.732 -0.423 2.118) 2.280 6.794 ( -3.634 -2.098 -1.852) 4.586 7.282 ( 3.025 1.746 -3.726) 5.107 8.207 ( 0.926 0.535 5.323) 5.430 8.275 ( -0.067 -0.038 1.797) 1.799 8.605 ( -0.094 -0.054 -0.751) 0.759 9.007 ( 0.184 0.106 1.741) 1.754 11.826 ( 0.085 0.049 -0.149) 0.179 11.881 ( 0.130 0.075 -1.028) 1.038 12.999 ( 0.024 0.014 -0.024) 0.037 30.657 ( -0.002 -0.001 -0.067) 0.067 32.115 ( -0.028 -0.016 0.108) 0.112 32.299 ( 0.012 0.007 -0.212) 0.213 32.578 ( -0.007 -0.004 -0.013) 0.015 32.721 ( 0.028 0.016 -0.030) 0.044 32.864 ( 0.004 0.003 0.170) 0.170 36.649 ( -0.061 -0.035 0.231) 0.242 36.717 ( -0.086 -0.050 0.181) 0.206 36.749 ( 0.033 0.019 -0.240) 0.243 36.822 ( 0.109 0.063 0.102) 0.162 68.254 ( -0.021 -0.012 0.043) 0.049 68.547 ( -0.021 -0.012 0.040) 0.046 69.582 ( -0.000 -0.000 -0.002) 0.002 70.165 ( 0.305 0.176 -2.184) 2.212 70.510 ( -0.300 -0.173 2.461) 2.485 70.850 ( 0.015 0.009 -0.007) 0.018 71.167 ( 0.078 0.045 -1.783) 1.785 72.222 ( -0.059 -0.034 0.545) 0.549 ======================= Grid point 322 (58/112) ======================= q-point: (-0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -1.957 -1.130 -10.057) 10.307 2.316 ( -4.323 -2.496 1.709) 5.277 2.710 ( -0.348 -0.201 -16.611) 16.616 2.935 ( -5.705 -3.294 -1.857) 6.844 4.031 ( -2.819 -1.628 11.336) 11.794 4.701 ( -7.941 -4.585 -1.939) 9.372 5.089 ( -3.382 -1.953 1.769) 4.287 5.778 ( 2.330 1.345 -1.456) 3.059 6.406 ( -0.418 -0.241 2.339) 2.388 6.687 ( -5.353 -3.091 -1.424) 6.343 7.359 ( 3.250 1.876 -4.078) 5.542 8.232 ( -3.496 -2.018 1.465) 4.295 8.277 ( 4.810 2.777 5.019) 7.486 8.601 ( -0.222 -0.128 -0.452) 0.520 8.985 ( -1.917 -1.107 1.884) 2.907 11.834 ( 0.558 0.322 -0.223) 0.682 11.883 ( 0.035 0.020 -1.034) 1.035 12.929 ( -5.695 -3.288 -0.038) 6.576 30.665 ( 0.640 0.370 -0.069) 0.743 32.122 ( 0.646 0.373 0.113) 0.754 32.299 ( -0.025 -0.014 -0.259) 0.260 32.582 ( 0.347 0.201 -0.018) 0.401 32.721 ( -0.054 -0.031 -0.100) 0.118 32.872 ( 0.698 0.403 0.201) 0.830 36.650 ( 0.175 0.101 0.229) 0.305 36.714 ( -0.181 -0.104 0.162) 0.264 36.754 ( 0.418 0.241 -0.234) 0.537 36.825 ( 0.151 0.087 0.113) 0.208 68.254 ( 0.065 0.038 0.039) 0.085 68.548 ( 0.078 0.045 0.043) 0.099 69.580 ( -0.157 -0.091 0.001) 0.181 70.148 ( -1.779 -1.027 -2.401) 3.160 70.510 ( 0.320 0.185 2.615) 2.641 70.850 ( -0.069 -0.040 -0.007) 0.080 71.165 ( -0.231 -0.133 -1.824) 1.843 72.239 ( 1.484 0.857 0.701) 1.851 ======================= Grid point 323 (59/112) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -14.421 -8.326 -1.569) 16.725 2.131 ( -11.078 -6.396 4.200) 13.463 2.769 ( 3.288 1.898 -23.088) 23.399 2.770 ( -7.665 -4.426 -3.913) 9.678 3.880 ( -11.850 -6.842 11.563) 17.915 4.409 ( -14.453 -8.344 2.432) 16.865 5.080 ( 3.132 1.808 -0.872) 3.720 5.844 ( 2.937 1.696 -1.362) 3.655 6.396 ( -0.516 -0.298 2.379) 2.453 6.540 ( -6.704 -3.871 -0.779) 7.781 7.428 ( 2.210 1.276 -5.234) 5.823 8.112 ( -6.307 -3.641 0.799) 7.326 8.431 ( 7.698 4.444 4.705) 10.057 8.599 ( 0.082 0.048 0.059) 0.112 8.924 ( -2.833 -1.636 2.759) 4.279 11.850 ( 0.749 0.432 -0.403) 0.954 11.882 ( -0.073 -0.042 -0.998) 1.001 12.738 ( -9.834 -5.678 -0.063) 11.356 30.687 ( 1.192 0.688 -0.055) 1.377 32.144 ( 1.130 0.652 0.114) 1.310 32.297 ( -0.151 -0.087 -0.398) 0.434 32.594 ( 0.591 0.341 -0.035) 0.683 32.718 ( -0.236 -0.136 -0.305) 0.409 32.897 ( 1.338 0.773 0.313) 1.576 36.657 ( 0.355 0.205 0.205) 0.458 36.709 ( -0.220 -0.127 0.094) 0.271 36.768 ( 0.692 0.399 -0.211) 0.826 36.829 ( 0.101 0.058 0.158) 0.196 68.258 ( 0.248 0.143 0.041) 0.289 68.551 ( 0.149 0.086 0.040) 0.176 69.575 ( -0.270 -0.156 0.009) 0.312 70.079 ( -3.942 -2.276 -2.746) 5.316 70.529 ( 1.323 0.764 2.788) 3.179 70.847 ( -0.134 -0.077 -0.002) 0.154 71.154 ( -0.714 -0.412 -1.948) 2.116 72.292 ( 2.838 1.638 1.130) 3.466 ======================= Grid point 324 (60/112) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -17.254 -9.961 5.076) 20.559 1.797 ( -16.304 -9.413 6.697) 19.982 2.580 ( -8.010 -4.624 -5.473) 10.747 2.771 ( -5.321 -3.072 -17.746) 18.779 3.422 ( -24.618 -14.213 7.239) 29.334 4.104 ( -10.068 -5.813 -0.048) 11.625 5.233 ( 9.171 5.295 1.911) 10.761 5.911 ( 2.573 1.485 -1.012) 3.138 6.371 ( -7.236 -4.178 0.390) 8.365 6.377 ( -1.046 -0.604 2.149) 2.465 7.444 ( -1.483 -0.856 -7.680) 7.869 7.945 ( -7.217 -4.166 0.260) 8.337 8.603 ( 0.273 0.157 0.368) 0.484 8.617 ( 6.232 3.598 1.651) 7.383 8.885 ( 1.269 0.733 6.942) 7.095 11.867 ( 0.597 0.344 -0.693) 0.977 11.879 ( -0.149 -0.086 -0.932) 0.947 12.479 ( -11.245 -6.492 -0.083) 12.985 30.721 ( 1.594 0.920 0.036) 1.841 32.174 ( 1.294 0.747 0.112) 1.498 32.290 ( -0.399 -0.230 -0.633) 0.783 32.609 ( 0.661 0.381 -0.061) 0.765 32.708 ( -0.604 -0.349 -0.630) 0.940 32.935 ( 1.841 1.063 0.513) 2.187 36.666 ( 0.427 0.247 0.166) 0.520 36.703 ( -0.236 -0.136 0.029) 0.274 36.786 ( 0.783 0.452 -0.175) 0.921 36.830 ( -0.011 -0.006 0.152) 0.153 68.267 ( 0.606 0.350 0.112) 0.709 68.555 ( 0.168 0.097 0.037) 0.197 69.568 ( -0.311 -0.179 0.019) 0.359 69.962 ( -5.724 -3.305 -3.330) 7.401 70.574 ( 2.426 1.401 3.083) 4.165 70.843 ( -0.161 -0.093 0.010) 0.186 71.129 ( -1.456 -0.840 -2.217) 2.782 72.373 ( 3.852 2.224 1.789) 4.794 ======================= Grid point 325 (61/112) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -12.253 -7.074 15.278) 20.823 1.372 ( -18.484 -10.672 8.594) 23.009 2.396 ( -7.039 -4.064 -5.746) 9.954 2.399 ( -25.831 -14.913 5.405) 30.312 2.854 ( -20.375 -11.764 -3.755) 23.825 3.946 ( -3.073 -1.774 -12.171) 12.678 5.505 ( 13.291 7.674 6.977) 16.859 5.961 ( 1.491 0.861 -0.446) 1.779 6.200 ( -6.769 -3.908 0.914) 7.869 6.347 ( -1.387 -0.801 1.620) 2.278 7.324 ( -9.170 -5.295 -10.327) 14.791 7.784 ( -5.908 -3.411 -0.074) 6.823 8.610 ( 0.207 0.120 0.473) 0.530 8.662 ( -1.088 -0.628 -0.913) 1.553 9.057 ( 11.608 6.702 10.038) 16.746 11.876 ( -0.152 -0.088 -0.866) 0.884 11.876 ( 0.157 0.091 -1.042) 1.058 12.223 ( -9.607 -5.547 -0.076) 11.094 30.762 ( 1.832 1.058 0.223) 2.127 32.203 ( 1.110 0.641 0.108) 1.287 32.276 ( -0.803 -0.464 -0.866) 1.269 32.624 ( 0.555 0.321 -0.089) 0.648 32.688 ( -1.121 -0.647 -0.902) 1.578 32.983 ( 2.076 1.199 0.670) 2.489 36.676 ( 0.382 0.221 0.120) 0.457 36.697 ( -0.247 -0.143 -0.003) 0.285 36.804 ( 0.667 0.385 -0.137) 0.782 36.828 ( -0.142 -0.082 0.044) 0.170 68.288 ( 1.116 0.644 0.312) 1.326 68.558 ( 0.141 0.081 0.034) 0.166 69.561 ( -0.269 -0.155 0.028) 0.312 69.809 ( -6.907 -3.988 -3.762) 8.818 70.646 ( 3.544 2.046 3.321) 5.270 70.840 ( -0.143 -0.083 0.025) 0.167 71.082 ( -2.550 -1.472 -2.556) 3.899 72.474 ( 4.479 2.586 2.300) 5.661 ======================= Grid point 326 (62/112) ======================= q-point: (-0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -15.679 -9.052 11.007) 21.189 0.984 ( -11.515 -6.648 17.475) 21.959 1.776 ( -18.482 -10.670 25.153) 32.986 2.256 ( -4.271 -2.466 -5.372) 7.292 2.419 ( -15.526 -8.964 -4.460) 18.474 3.926 ( 0.467 0.270 -21.779) 21.786 5.853 ( 13.481 7.783 8.782) 17.873 5.980 ( -0.015 -0.009 0.234) 0.234 6.086 ( 0.179 0.103 1.173) 1.191 6.321 ( -0.472 -0.273 0.907) 1.059 6.979 ( -19.541 -11.282 -7.835) 23.886 7.673 ( -3.182 -1.837 -0.245) 3.683 8.613 ( 0.094 0.054 0.485) 0.497 8.630 ( -1.129 -0.652 0.108) 1.308 9.355 ( 11.614 6.705 5.446) 14.474 11.873 ( -0.071 -0.041 -0.861) 0.865 11.874 ( -0.264 -0.153 -1.141) 1.181 12.037 ( -5.540 -3.198 -0.008) 6.397 30.806 ( 1.677 0.968 0.173) 1.944 32.225 ( 0.645 0.372 0.103) 0.752 32.252 ( -1.171 -0.676 -0.611) 1.484 32.635 ( 0.319 0.184 -0.113) 0.385 32.657 ( -1.261 -0.728 -0.631) 1.587 33.030 ( 1.695 0.979 0.395) 1.997 36.684 ( 0.244 0.141 0.080) 0.292 36.692 ( -0.233 -0.134 0.008) 0.269 36.817 ( 0.373 0.215 -0.106) 0.443 36.824 ( -0.198 -0.114 -0.078) 0.242 68.319 ( 1.369 0.790 0.365) 1.622 68.561 ( 0.084 0.048 0.025) 0.100 69.556 ( -0.157 -0.090 0.034) 0.184 69.643 ( -6.347 -3.665 -2.354) 7.698 70.744 ( 4.608 2.661 2.544) 5.898 70.837 ( -0.088 -0.051 0.038) 0.109 71.004 ( -3.950 -2.281 -2.179) 5.055 72.580 ( 4.025 2.324 1.473) 4.875 ======================= Grid point 328 (63/112) ======================= q-point: ( 0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 3.225 8.678 17.980) 20.224 1.256 ( 7.605 19.127 11.085) 23.379 2.245 ( 18.812 26.636 8.255) 33.638 2.376 ( 5.665 7.794 -5.663) 11.176 2.697 ( 9.107 19.311 -4.159) 21.752 3.944 ( 2.303 1.509 -15.335) 15.580 5.587 ( -7.786 -13.188 7.286) 16.960 5.941 ( -3.428 2.246 0.592) 4.141 6.240 ( 10.596 -1.256 0.019) 10.670 6.415 ( 7.739 3.586 1.952) 8.750 7.158 ( -2.242 13.006 -11.050) 17.213 7.751 ( 3.241 5.507 -0.187) 6.393 8.614 ( 0.055 -0.203 0.428) 0.477 8.655 ( 1.178 1.441 -0.472) 1.920 9.118 ( -8.912 -12.729 9.915) 18.433 11.870 ( -0.237 0.196 -0.828) 0.884 11.880 ( 0.042 -0.100 -1.091) 1.096 12.163 ( 4.947 8.728 -0.058) 10.032 30.774 ( -1.090 -1.854 0.263) 2.167 32.211 ( -0.497 -1.007 0.097) 1.128 32.270 ( 0.526 0.929 -0.885) 1.387 32.628 ( -0.254 -0.505 -0.101) 0.574 32.679 ( 0.623 1.244 -0.889) 1.651 32.996 ( -1.214 -2.065 0.664) 2.486 36.681 ( 0.004 -0.334 0.071) 0.341 36.695 ( 0.121 0.239 -0.010) 0.268 36.807 ( -0.404 -0.541 -0.124) 0.686 36.826 ( -0.003 0.096 0.033) 0.101 68.297 ( -0.615 -1.268 0.342) 1.450 68.559 ( -0.055 -0.130 0.028) 0.144 69.559 ( 0.145 0.264 0.019) 0.302 69.762 ( 3.854 7.037 -3.588) 8.789 70.670 ( -2.112 -3.844 3.258) 5.464 70.839 ( 0.054 0.168 0.031) 0.179 71.064 ( 1.628 2.878 -2.586) 4.198 72.503 ( -2.561 -4.537 2.254) 5.677 ======================= Grid point 329 (64/112) ======================= q-point: ( 0.17 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 3.738 10.394 12.528) 16.702 1.623 ( 8.421 21.251 7.090) 23.933 2.592 ( 7.153 10.933 -5.136) 14.039 2.682 ( 8.004 6.626 -14.291) 17.669 3.246 ( 25.429 23.261 5.368) 34.879 4.054 ( 6.375 3.828 -4.554) 8.720 5.341 ( -6.457 -9.437 2.841) 11.782 5.904 ( -4.366 3.933 0.348) 5.886 6.376 ( 7.556 -3.320 -0.112) 8.253 6.641 ( 10.185 5.579 3.178) 12.040 7.176 ( -4.595 4.160 -11.774) 13.306 7.892 ( 5.187 6.383 0.058) 8.224 8.597 ( -1.535 -2.806 0.934) 3.332 8.674 ( -1.364 -0.959 0.284) 1.691 8.863 ( -5.342 -4.531 10.046) 12.247 11.868 ( -0.090 0.018 -0.882) 0.887 11.873 ( -0.461 -0.292 -0.742) 0.921 12.382 ( 8.255 9.600 -0.069) 12.662 30.735 ( -1.287 -1.475 0.099) 1.960 32.187 ( -0.916 -1.049 0.090) 1.396 32.286 ( 0.397 0.380 -0.728) 0.912 32.616 ( -0.477 -0.554 -0.078) 0.735 32.700 ( 0.539 0.686 -0.728) 1.136 32.951 ( -1.503 -1.730 0.605) 2.370 36.676 ( -0.265 -0.243 0.089) 0.370 36.701 ( 0.341 0.063 -0.017) 0.347 36.792 ( -0.654 -0.502 -0.156) 0.839 36.825 ( -0.080 -0.124 0.193) 0.244 68.276 ( -0.525 -0.759 0.135) 0.933 68.556 ( -0.095 -0.158 0.025) 0.186 69.566 ( 0.222 0.324 -0.021) 0.393 69.904 ( 4.406 5.476 -3.338) 7.781 70.601 ( -1.853 -2.489 3.098) 4.385 70.842 ( 0.088 0.250 0.013) 0.265 71.112 ( 1.262 1.486 -2.325) 3.034 72.409 ( -3.039 -3.609 1.980) 5.116 ======================= Grid point 330 (65/112) ======================= q-point: ( 0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 6.472 12.192 2.519) 14.032 1.972 ( 6.659 18.980 4.863) 20.694 2.778 ( 2.837 0.896 -15.768) 16.046 2.849 ( 5.788 10.750 -6.946) 14.046 3.899 ( 21.377 14.045 5.073) 26.076 4.224 ( 8.815 2.518 3.350) 9.761 5.168 ( -3.352 -5.914 -0.740) 6.838 5.866 ( -5.180 5.602 -0.061) 7.630 6.451 ( 3.162 -0.738 0.586) 3.299 6.842 ( 5.465 3.588 1.761) 6.770 7.126 ( -1.385 -0.820 -9.809) 9.941 8.054 ( 5.546 5.255 0.629) 7.666 8.438 ( -6.700 -8.075 6.218) 12.197 8.638 ( -1.844 1.844 0.762) 2.716 8.861 ( 3.014 1.235 3.276) 4.620 11.855 ( -0.750 -0.510 -0.627) 1.102 11.870 ( 0.079 0.043 -0.729) 0.735 12.637 ( 8.969 8.574 -0.055) 12.409 30.699 ( -1.132 -1.105 -0.032) 1.582 32.159 ( -1.064 -0.863 0.088) 1.373 32.293 ( 0.222 0.047 -0.464) 0.517 32.601 ( -0.550 -0.514 -0.049) 0.754 32.712 ( 0.307 0.289 -0.410) 0.588 32.909 ( -1.289 -1.305 0.402) 1.878 36.668 ( -0.430 -0.130 0.140) 0.470 36.708 ( 0.395 -0.109 0.018) 0.411 36.775 ( -0.730 -0.327 -0.197) 0.823 36.821 ( -0.052 -0.291 0.250) 0.387 68.262 ( -0.294 -0.421 0.033) 0.514 68.553 ( -0.109 -0.175 0.027) 0.208 69.573 ( 0.215 0.329 -0.075) 0.400 70.027 ( 3.644 4.047 -2.561) 6.018 70.552 ( -1.140 -1.668 2.643) 3.326 70.847 ( 0.062 0.328 -0.009) 0.334 71.141 ( 0.771 0.680 -1.992) 2.242 72.323 ( -2.684 -2.689 1.313) 4.020 ======================= Grid point 331 (66/112) ======================= q-point: ( 0.33 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 8.414 11.173 -5.971) 15.208 2.244 ( 3.141 15.836 2.735) 16.375 2.802 ( 1.909 -2.982 -15.047) 15.458 3.039 ( 1.270 11.758 -3.538) 12.344 4.154 ( 2.254 -1.736 7.138) 7.684 4.495 ( 14.386 4.269 1.178) 15.053 5.110 ( 1.819 -2.996 -0.753) 3.585 5.838 ( -5.315 7.240 -0.426) 8.992 6.475 ( -0.811 1.479 1.232) 2.089 6.884 ( -1.633 -0.144 -2.671) 3.134 7.151 ( 4.346 -0.778 -4.188) 6.085 8.178 ( 3.400 0.905 2.229) 4.165 8.278 ( -3.123 -3.000 5.165) 6.741 8.630 ( -1.451 2.191 0.082) 2.630 8.934 ( 3.383 0.715 2.064) 4.027 11.837 ( -0.658 -0.374 -0.393) 0.852 11.873 ( 0.219 -0.082 -0.804) 0.837 12.860 ( 6.826 5.903 -0.037) 9.024 30.672 ( -0.763 -0.719 -0.067) 1.051 32.134 ( -0.889 -0.494 0.091) 1.022 32.296 ( 0.135 -0.135 -0.280) 0.339 32.587 ( -0.428 -0.385 -0.024) 0.576 32.718 ( 0.149 0.087 -0.172) 0.243 32.879 ( -0.806 -0.871 0.252) 1.213 36.659 ( -0.432 -0.002 0.190) 0.472 36.712 ( 0.320 -0.260 0.111) 0.427 36.761 ( -0.606 -0.071 -0.236) 0.655 36.818 ( 0.080 -0.359 0.193) 0.415 68.255 ( -0.100 -0.241 0.028) 0.262 68.549 ( -0.085 -0.165 0.037) 0.189 69.580 ( 0.133 0.277 -0.126) 0.332 70.117 ( 2.281 2.811 -2.028) 4.150 70.523 ( -0.487 -1.250 2.341) 2.698 70.851 ( -0.016 0.375 -0.030) 0.377 71.157 ( 0.448 0.228 -1.811) 1.879 72.259 ( -1.829 -1.747 0.801) 2.653 ======================= Grid point 332 (67/112) ======================= q-point: ( 0.42 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 8.555 8.693 -11.765) 16.947 2.401 ( -1.427 10.576 0.924) 10.711 2.792 ( 0.058 -2.449 -11.379) 11.640 3.122 ( -4.136 9.026 -2.196) 10.169 4.109 ( -1.908 -3.628 7.725) 8.745 4.702 ( 6.738 -1.440 -2.340) 7.277 5.130 ( 2.772 -3.899 1.674) 5.068 5.829 ( -4.635 8.512 -0.665) 9.715 6.462 ( -2.394 2.015 1.483) 3.463 6.832 ( -2.822 -1.441 -1.990) 3.742 7.225 ( 4.145 -0.265 -3.175) 5.228 8.171 ( 0.872 -3.288 5.053) 6.091 8.284 ( 0.597 1.739 1.758) 2.544 8.629 ( -1.269 2.063 -0.330) 2.444 8.985 ( 1.923 -0.443 1.792) 2.665 11.827 ( -0.211 -0.098 -0.292) 0.373 11.876 ( 0.279 -0.187 -0.858) 0.921 12.989 ( 2.365 2.428 -0.027) 3.389 30.658 ( -0.231 -0.322 -0.064) 0.402 32.119 ( -0.426 -0.052 0.098) 0.440 32.296 ( 0.130 -0.207 -0.196) 0.313 32.579 ( -0.140 -0.187 -0.009) 0.234 32.720 ( 0.071 0.003 -0.056) 0.091 32.863 ( -0.186 -0.452 0.184) 0.522 36.653 ( -0.299 0.150 0.221) 0.401 36.714 ( 0.194 -0.365 0.204) 0.461 36.753 ( -0.321 0.178 -0.260) 0.449 36.817 ( 0.251 -0.346 0.105) 0.440 68.253 ( 0.015 -0.157 0.045) 0.164 68.547 ( -0.017 -0.123 0.048) 0.133 69.583 ( -0.004 0.191 -0.156) 0.247 70.167 ( 0.630 1.692 -1.886) 2.611 70.507 ( -0.038 -1.042 2.295) 2.521 70.853 ( -0.126 0.368 -0.044) 0.392 71.164 ( 0.247 -0.021 -1.750) 1.767 72.224 ( -0.591 -0.791 0.560) 1.135 ======================= Grid point 333 (68/112) ======================= q-point: (-0.50 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 3.752 3.567 -12.452) 13.485 2.407 ( -5.065 3.261 -0.030) 6.024 2.751 ( -3.141 0.600 -11.175) 11.624 3.086 ( -8.523 6.531 -2.070) 10.935 4.047 ( -1.463 -2.196 9.119) 9.493 4.719 ( -0.575 -6.204 -2.973) 6.904 5.097 ( -0.983 -4.846 2.394) 5.494 5.849 ( -3.342 9.221 -1.041) 9.863 6.440 ( -2.136 1.609 1.763) 3.203 6.752 ( -4.502 -1.365 -1.134) 4.839 7.294 ( 4.174 -0.717 -3.478) 5.480 8.188 ( 3.798 -1.870 4.498) 6.177 8.284 ( -1.663 0.345 1.828) 2.496 8.626 ( -1.351 1.960 -0.316) 2.402 8.990 ( -0.220 -1.701 1.792) 2.480 11.828 ( 0.333 0.184 -0.307) 0.489 11.879 ( 0.256 -0.261 -0.883) 0.956 12.989 ( -3.240 -0.819 -0.032) 3.343 30.658 ( 0.392 0.038 -0.063) 0.398 32.118 ( 0.208 0.325 0.104) 0.400 32.296 ( 0.134 -0.209 -0.199) 0.318 32.578 ( 0.219 0.024 -0.007) 0.221 32.721 ( 0.013 -0.044 -0.060) 0.076 32.863 ( 0.493 -0.061 0.181) 0.529 36.652 ( -0.089 0.303 0.228) 0.389 36.712 ( 0.073 -0.395 0.223) 0.460 36.753 ( 0.059 0.361 -0.260) 0.449 36.819 ( 0.365 -0.312 0.081) 0.487 68.252 ( 0.088 -0.104 0.049) 0.145 68.546 ( 0.079 -0.059 0.053) 0.112 69.583 ( -0.164 0.098 -0.155) 0.246 70.173 ( -1.262 0.500 -2.023) 2.437 70.501 ( 0.417 -0.681 2.417) 2.546 70.854 ( -0.230 0.299 -0.047) 0.380 71.165 ( 0.029 -0.179 -1.760) 1.769 72.222 ( 0.878 0.082 0.579) 1.055 ======================= Grid point 334 (69/112) ======================= q-point: (-0.42 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -9.870 -8.238 -2.589) 13.114 2.333 ( -9.543 3.744 -0.833) 10.285 2.730 ( 0.711 1.006 -18.389) 18.430 2.964 ( -11.624 5.562 -3.798) 13.434 3.983 ( -4.791 -2.415 10.872) 12.124 4.537 ( -9.830 -10.292 0.821) 14.256 5.048 ( 0.790 -1.488 -0.315) 1.714 5.898 ( -2.121 9.271 -1.390) 9.611 6.411 ( -1.997 -0.735 1.845) 2.816 6.647 ( -6.323 0.668 -0.740) 6.401 7.357 ( 4.376 -2.349 -4.346) 6.600 8.181 ( -3.934 -2.424 1.544) 4.872 8.316 ( 6.544 0.649 4.356) 7.888 8.623 ( -1.249 2.134 0.097) 2.474 8.946 ( -1.941 -2.462 2.165) 3.810 11.841 ( 0.701 0.324 -0.418) 0.878 11.880 ( 0.166 -0.293 -0.874) 0.936 12.861 ( -8.480 -2.971 -0.051) 8.985 30.672 ( 1.008 0.304 -0.065) 1.055 32.132 ( 0.830 0.536 0.106) 0.994 32.296 ( 0.054 -0.191 -0.286) 0.349 32.586 ( 0.532 0.181 -0.020) 0.563 32.720 ( -0.099 -0.099 -0.183) 0.231 32.879 ( 1.172 0.262 0.243) 1.225 36.656 ( 0.120 0.410 0.208) 0.475 36.708 ( -0.018 -0.357 0.164) 0.394 36.762 ( 0.433 0.447 -0.238) 0.666 36.823 ( 0.368 -0.290 0.129) 0.486 68.254 ( 0.202 -0.025 0.040) 0.208 68.548 ( 0.163 0.004 0.050) 0.171 69.580 ( -0.304 0.022 -0.124) 0.329 70.130 ( -3.370 -0.734 -2.308) 4.151 70.511 ( 1.153 -0.034 2.579) 2.825 70.851 ( -0.292 0.191 -0.037) 0.351 71.160 ( -0.346 -0.319 -1.833) 1.893 72.256 ( 2.365 0.744 0.847) 2.620 ======================= Grid point 335 (70/112) ======================= q-point: (-0.33 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -14.999 -11.291 2.843) 18.988 2.090 ( -18.900 0.479 3.045) 19.149 2.734 ( -5.571 0.467 -12.300) 13.511 2.817 ( -6.506 1.857 -13.955) 15.509 3.736 ( -19.994 -5.493 9.159) 22.668 4.230 ( -10.886 -7.538 3.196) 13.622 5.120 ( 6.940 1.896 -0.497) 7.211 5.955 ( -1.694 7.550 -1.249) 7.838 6.339 ( -2.581 -4.842 0.985) 5.575 6.557 ( -7.173 5.712 0.925) 9.216 7.391 ( 3.138 -5.081 -6.385) 8.742 8.050 ( -7.362 -2.044 0.672) 7.670 8.477 ( 9.752 0.254 3.920) 10.514 8.628 ( -0.627 2.326 0.656) 2.497 8.883 ( -1.743 -2.152 3.840) 4.735 11.858 ( 0.757 0.260 -0.620) 1.013 11.879 ( 0.051 -0.281 -0.838) 0.885 12.639 ( -11.873 -3.535 -0.075) 12.389 30.699 ( 1.534 0.427 -0.031) 1.593 32.157 ( 1.254 0.545 0.105) 1.371 32.294 ( -0.161 -0.181 -0.468) 0.527 32.600 ( 0.707 0.235 -0.044) 0.746 32.714 ( -0.365 -0.183 -0.428) 0.592 32.910 ( 1.787 0.449 0.390) 1.884 36.664 ( 0.263 0.427 0.165) 0.528 36.704 ( -0.090 -0.264 0.083) 0.291 36.777 ( 0.692 0.395 -0.203) 0.822 36.826 ( 0.269 -0.262 0.177) 0.415 68.260 ( 0.453 0.104 0.056) 0.468 68.552 ( 0.203 0.042 0.042) 0.211 69.573 ( -0.388 -0.024 -0.074) 0.396 70.038 ( -5.366 -1.547 -2.796) 6.246 70.543 ( 2.105 0.539 2.818) 3.558 70.847 ( -0.299 0.080 -0.018) 0.310 71.145 ( -0.978 -0.449 -2.012) 2.282 72.321 ( 3.660 1.076 1.365) 4.052 ======================= Grid point 336 (71/112) ======================= q-point: (-0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -14.393 -8.654 10.087) 19.591 1.696 ( -22.747 -2.680 5.868) 23.644 2.559 ( -12.028 1.655 -5.772) 13.443 2.682 ( -12.211 -3.626 -11.441) 17.122 3.200 ( -29.195 -5.722 4.677) 30.116 4.025 ( -7.044 -1.228 -4.132) 8.258 5.320 ( 11.994 2.770 3.318) 12.749 5.978 ( -1.398 1.504 -0.348) 2.082 6.251 ( -2.964 -0.520 0.081) 3.011 6.492 ( -8.033 7.256 2.278) 11.062 7.345 ( -1.266 -8.018 -9.368) 12.395 7.891 ( -8.091 -1.125 0.077) 8.169 8.600 ( 2.252 -0.202 0.493) 2.314 8.663 ( 1.442 1.138 -0.115) 1.840 8.897 ( 7.296 -0.299 9.653) 12.104 11.871 ( 0.395 -0.028 -0.873) 0.958 11.877 ( 0.077 -0.146 -0.820) 0.836 12.383 ( -12.425 -2.466 -0.086) 12.668 30.735 ( 1.929 0.359 0.098) 1.965 32.186 ( 1.356 0.374 0.102) 1.410 32.286 ( -0.532 -0.158 -0.724) 0.913 32.615 ( 0.710 0.176 -0.073) 0.735 32.701 ( -0.848 -0.250 -0.747) 1.157 32.951 ( 2.252 0.403 0.594) 2.364 36.673 ( 0.315 0.336 0.111) 0.474 36.700 ( -0.172 -0.137 0.025) 0.221 36.794 ( 0.777 0.200 -0.163) 0.819 36.827 ( 0.101 -0.191 0.148) 0.262 68.274 ( 0.894 0.227 0.162) 0.936 68.556 ( 0.190 0.046 0.035) 0.198 69.566 ( -0.388 -0.036 -0.021) 0.390 69.909 ( -7.018 -1.541 -3.457) 7.974 70.597 ( 3.188 0.709 3.163) 4.546 70.843 ( -0.254 -0.004 0.007) 0.255 71.114 ( -1.953 -0.480 -2.332) 3.080 72.407 ( 4.658 0.952 2.015) 5.164 ======================= Grid point 341 (72/112) ======================= q-point: ( 0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 1.266 16.760 4.338) 17.358 2.071 ( 7.723 20.527 3.489) 22.208 2.745 ( 1.240 0.331 -18.422) 18.467 2.852 ( 8.382 12.797 -5.630) 16.301 3.715 ( 16.508 19.747 6.545) 26.557 4.147 ( 3.369 5.602 2.980) 7.184 5.154 ( -3.116 -7.863 -0.334) 8.465 6.015 ( -1.906 5.839 -0.268) 6.148 6.329 ( 6.341 -0.956 -0.285) 6.419 6.717 ( 10.749 2.032 1.751) 11.078 7.237 ( -8.680 1.770 -8.133) 12.025 8.030 ( 3.837 6.442 0.653) 7.526 8.465 ( -5.990 -8.290 4.379) 11.126 8.666 ( 0.778 0.261 0.755) 1.114 8.846 ( -0.102 1.583 4.487) 4.759 11.860 ( -0.397 -0.615 -0.878) 1.143 11.872 ( -0.261 0.052 -0.557) 0.617 12.600 ( 6.252 10.932 -0.075) 12.593 30.704 ( -0.835 -1.439 -0.018) 1.664 32.164 ( -0.608 -1.153 0.091) 1.307 32.291 ( 0.077 0.150 -0.489) 0.517 32.603 ( -0.365 -0.665 -0.050) 0.761 32.712 ( 0.176 0.418 -0.473) 0.655 32.914 ( -0.994 -1.693 0.428) 2.009 36.671 ( -0.032 -0.272 0.112) 0.296 36.701 ( 0.097 -0.010 0.079) 0.126 36.781 ( -0.363 -0.542 -0.206) 0.684 36.821 ( -0.294 -0.235 0.221) 0.436 68.262 ( -0.235 -0.529 0.056) 0.582 68.553 ( -0.091 -0.207 0.039) 0.230 69.573 ( 0.214 0.372 -0.157) 0.457 70.018 ( 2.710 5.297 -2.661) 6.518 70.551 ( -0.975 -2.210 2.745) 3.657 70.848 ( 0.165 0.333 -0.033) 0.373 71.139 ( 0.474 0.997 -2.021) 2.303 72.333 ( -1.933 -3.494 1.436) 4.243 ======================= Grid point 342 (73/112) ======================= q-point: ( 0.25 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 3.290 14.994 -1.827) 15.459 2.386 ( 3.897 19.262 2.803) 19.851 2.734 ( 0.773 -3.776 -17.823) 18.235 3.133 ( 5.469 14.709 -4.226) 16.252 4.066 ( 6.740 1.095 5.304) 8.646 4.305 ( 9.842 6.378 4.057) 12.410 5.057 ( -0.421 -4.520 -1.326) 4.730 6.030 ( -4.960 9.176 -0.341) 10.436 6.434 ( 5.775 -1.134 0.130) 5.887 6.888 ( 5.066 0.718 -0.668) 5.160 7.113 ( -4.208 0.326 -4.944) 6.501 8.141 ( 2.322 2.167 2.181) 3.853 8.295 ( -3.473 -4.611 4.280) 7.186 8.681 ( -0.668 2.168 0.445) 2.311 8.885 ( 2.323 1.018 2.551) 3.598 11.845 ( -0.603 -0.512 -0.804) 1.128 11.869 ( -0.021 -0.133 -0.436) 0.457 12.815 ( 6.038 8.117 -0.054) 10.117 30.677 ( -0.713 -1.000 -0.059) 1.230 32.142 ( -0.673 -0.708 0.083) 0.981 32.292 ( 0.049 -0.136 -0.285) 0.319 32.590 ( -0.388 -0.536 -0.021) 0.662 32.717 ( 0.109 0.146 -0.245) 0.305 32.882 ( -0.811 -1.209 0.286) 1.484 36.666 ( -0.282 -0.004 0.155) 0.322 36.703 ( 0.262 -0.294 0.158) 0.424 36.770 ( -0.455 -0.160 -0.256) 0.546 36.813 ( -0.132 -0.472 0.193) 0.526 68.254 ( -0.121 -0.320 0.038) 0.344 68.549 ( -0.087 -0.209 0.053) 0.233 69.580 ( 0.161 0.344 -0.328) 0.502 70.112 ( 2.202 3.919 -1.877) 4.871 70.517 ( -0.590 -1.730 2.319) 2.953 70.855 ( 0.094 0.447 -0.084) 0.465 71.152 ( 0.314 0.372 -1.799) 1.864 72.269 ( -1.664 -2.419 0.917) 3.076 ======================= Grid point 343 (74/112) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 4.753 12.182 -7.203) 14.928 2.579 ( -3.354 13.096 0.409) 13.525 2.728 ( 3.912 -2.422 -11.651) 12.526 3.320 ( -2.282 14.707 -3.815) 15.364 4.084 ( 0.273 -3.757 5.389) 6.575 4.530 ( 9.469 -1.151 -0.288) 9.543 5.034 ( 2.283 -4.065 0.447) 4.684 6.034 ( -5.821 10.608 -0.315) 12.105 6.493 ( 1.430 -0.419 0.372) 1.535 6.885 ( -3.551 0.403 -2.130) 4.160 7.137 ( 4.415 -0.090 -1.658) 4.717 8.126 ( -0.403 -3.842 4.711) 6.092 8.284 ( 1.237 1.593 1.215) 2.355 8.686 ( -1.688 2.991 0.260) 3.444 8.935 ( 2.664 -0.554 1.980) 3.365 11.831 ( -0.425 -0.249 -0.717) 0.869 11.869 ( 0.191 -0.305 -0.420) 0.553 12.970 ( 3.537 4.483 -0.039) 5.711 30.659 ( -0.374 -0.572 -0.056) 0.686 32.126 ( -0.513 -0.191 0.081) 0.553 32.291 ( 0.099 -0.292 -0.164) 0.349 32.579 ( -0.227 -0.340 0.003) 0.409 32.719 ( 0.068 0.017 -0.116) 0.135 32.861 ( -0.371 -0.761 0.211) 0.873 36.661 ( -0.363 0.236 0.198) 0.476 36.704 ( 0.300 -0.474 0.259) 0.618 36.762 ( -0.435 0.192 -0.283) 0.553 36.808 ( 0.175 -0.599 0.091) 0.631 68.250 ( -0.005 -0.220 0.054) 0.227 68.545 ( -0.035 -0.179 0.069) 0.195 69.586 ( 0.043 0.275 -0.465) 0.542 70.176 ( 1.000 2.778 -1.396) 3.266 70.493 ( -0.094 -1.563 2.058) 2.586 70.860 ( -0.065 0.501 -0.128) 0.521 71.159 ( 0.226 0.011 -1.689) 1.704 72.226 ( -0.891 -1.380 0.610) 1.752 ======================= Grid point 344 (75/112) ======================= q-point: ( 0.42 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 3.891 7.945 -10.273) 13.557 2.538 ( -5.992 0.310 -4.905) 7.750 2.806 ( 0.315 4.885 -3.640) 6.100 3.355 ( -9.297 12.934 -3.966) 16.415 4.046 ( -0.800 -2.013 5.316) 5.740 4.609 ( 4.433 -7.103 -2.278) 8.678 5.031 ( 2.063 -4.887 1.697) 5.570 6.046 ( -5.400 11.323 -0.472) 12.553 6.485 ( -1.349 -0.592 0.466) 1.545 6.827 ( -3.835 1.360 -0.367) 4.086 7.208 ( 3.835 -1.343 -2.068) 4.559 8.107 ( 2.246 -2.722 4.319) 5.578 8.306 ( -0.324 0.401 1.067) 1.185 8.684 ( -1.990 3.133 0.213) 3.718 8.960 ( 1.309 -1.919 1.824) 2.953 11.826 ( 0.041 0.037 -0.689) 0.691 11.870 ( 0.308 -0.394 -0.433) 0.662 13.026 ( -0.675 1.197 -0.037) 1.375 30.652 ( 0.118 -0.206 -0.049) 0.243 32.121 ( -0.138 0.207 0.084) 0.262 32.290 ( 0.189 -0.313 -0.128) 0.387 32.575 ( 0.070 -0.129 0.013) 0.147 32.720 ( 0.040 -0.038 -0.076) 0.094 32.854 ( 0.214 -0.366 0.188) 0.464 36.659 ( -0.269 0.408 0.215) 0.534 36.704 ( 0.248 -0.526 0.318) 0.663 36.759 ( -0.238 0.400 -0.289) 0.547 36.807 ( 0.435 -0.592 0.025) 0.735 68.249 ( 0.082 -0.163 0.064) 0.194 68.544 ( 0.055 -0.119 0.079) 0.153 69.587 ( -0.108 0.186 -0.516) 0.559 70.202 ( -0.696 1.626 -1.308) 2.200 70.482 ( 0.490 -1.259 2.035) 2.443 70.862 ( -0.251 0.447 -0.146) 0.533 71.162 ( 0.149 -0.167 -1.662) 1.677 72.210 ( 0.245 -0.493 0.520) 0.757 ======================= Grid point 346 (76/112) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -7.174 -4.163 -5.027) 9.699 2.481 ( -1.620 5.111 -8.348) 9.922 2.792 ( -5.410 1.347 -6.022) 8.207 3.274 ( -12.929 10.196 -4.303) 17.019 4.017 ( -1.147 -0.338 6.842) 6.945 4.544 ( -2.498 -9.225 -0.571) 9.574 5.011 ( 0.975 -2.979 0.788) 3.232 6.075 ( -4.542 11.184 -1.114) 12.122 6.437 ( -2.354 -2.532 0.923) 3.578 6.775 ( -4.805 3.985 -0.262) 6.248 7.246 ( 3.588 -3.974 -2.815) 6.049 8.144 ( 4.096 -2.095 4.212) 6.238 8.283 ( -1.650 -0.254 1.264) 2.094 8.680 ( -1.975 2.913 0.281) 3.531 8.942 ( -0.547 -2.600 1.970) 3.308 11.833 ( 0.502 0.194 -0.722) 0.901 11.871 ( 0.317 -0.393 -0.454) 0.679 12.970 ( -5.622 -0.836 -0.045) 5.684 30.658 ( 0.681 0.039 -0.055) 0.685 32.126 ( 0.390 0.365 0.087) 0.541 32.291 ( 0.214 -0.238 -0.167) 0.362 32.579 ( 0.399 0.031 0.004) 0.400 32.720 ( -0.016 -0.067 -0.120) 0.138 32.861 ( 0.852 -0.061 0.208) 0.879 36.660 ( -0.089 0.471 0.200) 0.520 36.703 ( 0.178 -0.455 0.285) 0.565 36.762 ( 0.081 0.442 -0.279) 0.529 36.810 ( 0.543 -0.499 0.061) 0.741 68.250 ( 0.165 -0.094 0.058) 0.199 68.545 ( 0.152 -0.047 0.074) 0.176 69.586 ( -0.260 0.100 -0.462) 0.540 70.183 ( -2.630 0.350 -1.540) 3.068 70.487 ( 1.138 -0.531 2.185) 2.520 70.861 ( -0.386 0.298 -0.130) 0.505 71.161 ( -0.046 -0.235 -1.700) 1.717 72.225 ( 1.581 0.116 0.628) 1.705 ======================= Grid point 347 (77/112) ======================= q-point: (-0.42 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -13.673 -8.750 -0.268) 16.235 2.420 ( -14.427 2.988 -0.172) 14.734 2.726 ( 0.962 -1.134 -17.738) 17.800 3.101 ( -15.331 5.570 -4.764) 16.993 3.972 ( -6.951 2.270 7.478) 10.459 4.335 ( -9.625 -7.323 3.597) 12.618 5.034 ( 3.752 0.231 -1.263) 3.965 6.093 ( -4.520 6.063 -1.297) 7.673 6.356 ( -3.050 -1.840 0.709) 3.632 6.743 ( -5.459 7.510 0.083) 9.285 7.256 ( 3.884 -7.103 -4.683) 9.352 8.143 ( -3.668 -1.076 1.896) 4.267 8.311 ( 6.698 -0.782 3.922) 7.801 8.673 ( -1.655 2.111 0.448) 2.720 8.894 ( -1.798 -2.113 2.600) 3.803 11.846 ( 0.745 0.136 -0.790) 1.094 11.873 ( 0.225 -0.321 -0.492) 0.629 12.815 ( -10.028 -1.225 -0.060) 10.103 30.677 ( 1.225 0.118 -0.059) 1.232 32.141 ( 0.932 0.288 0.089) 0.979 32.292 ( 0.094 -0.129 -0.288) 0.329 32.589 ( 0.651 0.085 -0.019) 0.657 32.718 ( -0.158 -0.082 -0.250) 0.307 32.883 ( 1.460 0.084 0.282) 1.489 36.665 ( 0.098 0.363 0.159) 0.408 36.701 ( 0.098 -0.225 0.186) 0.308 36.770 ( 0.402 0.276 -0.251) 0.549 36.816 ( 0.502 -0.338 0.158) 0.626 68.254 ( 0.310 0.000 0.044) 0.313 68.548 ( 0.216 0.008 0.058) 0.224 69.580 ( -0.378 0.033 -0.325) 0.500 70.117 ( -4.436 -0.466 -1.998) 4.888 70.511 ( 1.752 0.135 2.419) 2.990 70.855 ( -0.423 0.116 -0.087) 0.447 71.154 ( -0.452 -0.224 -1.809) 1.878 72.268 ( 2.903 0.338 0.938) 3.070 ======================= Grid point 355 (78/112) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 1.013 13.388 -3.934) 13.991 2.608 ( 4.958 -4.013 -12.310) 13.865 2.750 ( -0.303 10.685 -0.640) 10.709 3.420 ( 8.848 12.173 -5.088) 15.886 4.038 ( 1.283 -1.730 4.046) 4.584 4.421 ( 1.535 3.503 1.558) 4.130 4.984 ( -0.756 -2.445 0.079) 2.560 6.203 ( 0.113 6.223 -0.887) 6.286 6.410 ( 3.960 -0.513 0.359) 4.009 6.882 ( 4.853 -0.721 -1.138) 5.037 7.143 ( -4.327 1.962 -1.664) 5.034 8.114 ( -2.427 -3.147 4.412) 5.939 8.280 ( 0.916 1.563 0.965) 2.052 8.722 ( 1.286 1.666 0.347) 2.133 8.904 ( 0.118 0.784 2.204) 2.343 11.834 ( -0.318 -0.451 -1.063) 1.198 11.866 ( -0.202 -0.200 -0.087) 0.297 12.961 ( 3.237 5.636 -0.048) 6.500 30.659 ( -0.393 -0.683 -0.052) 0.789 32.130 ( -0.220 -0.416 0.075) 0.477 32.288 ( -0.125 -0.201 -0.149) 0.280 32.579 ( -0.233 -0.412 0.010) 0.474 32.719 ( 0.008 0.047 -0.149) 0.156 32.861 ( -0.493 -0.847 0.224) 1.005 36.667 ( 0.060 0.051 0.167) 0.185 36.697 ( -0.079 -0.244 0.314) 0.405 36.768 ( -0.007 -0.049 -0.292) 0.297 36.803 ( -0.384 -0.476 0.076) 0.616 68.249 ( -0.090 -0.181 0.060) 0.211 68.545 ( -0.082 -0.166 0.082) 0.202 69.587 ( 0.144 0.247 -0.618) 0.681 70.184 ( 1.467 2.947 -1.207) 3.506 70.483 ( -0.602 -1.434 1.988) 2.524 70.864 ( 0.214 0.383 -0.173) 0.472 71.157 ( 0.015 0.117 -1.662) 1.667 72.226 ( -0.901 -1.629 0.644) 1.970 ======================= Grid point 356 (79/112) ======================= q-point: ( 0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 1.759 9.989 -6.355) 11.969 2.578 ( -1.123 -5.440 -13.981) 15.044 2.861 ( 0.584 7.041 5.890) 9.198 3.629 ( -2.304 14.288 -6.611) 15.911 4.027 ( 0.497 -1.909 1.923) 2.755 4.454 ( 3.506 -5.330 -0.233) 6.384 4.954 ( 0.840 -3.307 1.245) 3.632 6.242 ( -3.727 8.690 -0.476) 9.467 6.456 ( 2.372 -2.781 -0.095) 3.656 6.896 ( -1.574 0.478 -0.454) 1.706 7.150 ( 1.622 0.932 -0.368) 1.907 8.060 ( -0.085 -2.307 3.998) 4.617 8.308 ( 0.485 0.668 0.563) 0.999 8.748 ( -0.972 2.804 0.456) 3.002 8.914 ( 1.239 -1.384 1.993) 2.724 11.827 ( -0.147 -0.128 -1.219) 1.234 11.862 ( 0.081 -0.297 0.131) 0.335 13.041 ( 0.973 2.313 -0.045) 2.510 30.649 ( -0.099 -0.310 -0.038) 0.328 32.125 ( -0.154 0.005 0.068) 0.168 32.285 ( 0.036 -0.253 -0.078) 0.267 32.573 ( -0.064 -0.201 0.032) 0.213 32.719 ( 0.019 -0.013 -0.110) 0.113 32.848 ( -0.094 -0.444 0.204) 0.497 36.668 ( -0.185 0.353 0.169) 0.433 36.694 ( 0.167 -0.453 0.415) 0.637 36.768 ( -0.206 0.367 -0.285) 0.508 36.794 ( 0.138 -0.657 -0.034) 0.672 68.247 ( 0.007 -0.130 0.076) 0.151 68.542 ( -0.008 -0.114 0.101) 0.152 69.590 ( 0.007 0.165 -0.808) 0.825 70.227 ( 0.241 1.923 -0.707) 2.063 70.462 ( 0.004 -1.270 1.689) 2.113 70.870 ( -0.028 0.355 -0.234) 0.426 71.158 ( 0.063 -0.075 -1.587) 1.590 72.204 ( -0.236 -0.737 0.509) 0.926 ======================= Grid point 357 (80/112) ======================= q-point: (-0.58 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -4.928 0.225 -5.250) 7.204 2.522 ( 0.648 1.350 -14.027) 14.107 2.890 ( -3.059 1.261 4.866) 5.885 3.615 ( -12.415 9.752 -6.776) 17.180 4.023 ( 0.389 -0.709 2.029) 2.184 4.453 ( 2.964 -5.782 -0.249) 6.503 4.952 ( 2.132 -2.196 1.289) 3.321 6.258 ( -4.234 7.549 -0.846) 8.697 6.436 ( -0.686 -3.162 0.272) 3.247 6.877 ( -1.991 2.655 -0.011) 3.319 7.170 ( 0.899 -2.065 -0.750) 2.374 8.063 ( 2.420 -1.301 3.946) 4.808 8.307 ( -0.877 -0.051 0.566) 1.045 8.747 ( -2.110 2.311 0.471) 3.165 8.916 ( 0.748 -1.835 1.979) 2.800 11.827 ( 0.219 0.042 -1.220) 1.240 11.862 ( 0.260 -0.244 0.126) 0.378 13.041 ( -2.482 0.309 -0.045) 2.501 30.649 ( 0.317 -0.069 -0.038) 0.327 32.125 ( 0.062 0.142 0.069) 0.170 32.285 ( 0.206 -0.160 -0.078) 0.273 32.573 ( 0.204 -0.044 0.032) 0.211 32.719 ( 0.012 -0.028 -0.111) 0.115 32.849 ( 0.433 -0.141 0.203) 0.499 36.668 ( -0.228 0.347 0.167) 0.448 36.694 ( 0.275 -0.353 0.422) 0.615 36.768 ( -0.230 0.365 -0.282) 0.516 36.795 ( 0.563 -0.478 -0.040) 0.739 68.247 ( 0.103 -0.067 0.076) 0.144 68.542 ( 0.095 -0.046 0.102) 0.146 69.590 ( -0.147 0.076 -0.808) 0.825 70.228 ( -1.643 0.670 -0.734) 1.920 70.461 ( 0.959 -0.557 1.714) 2.041 70.870 ( -0.290 0.200 -0.235) 0.423 71.158 ( 0.062 -0.109 -1.589) 1.594 72.203 ( 0.734 -0.152 0.512) 0.908 ======================= Grid point 368 (81/112) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -0.000 -0.000 -1.850) 1.850 2.501 ( 0.000 -0.000 -18.921) 18.921 2.926 ( -0.000 -0.000 8.719) 8.719 3.836 ( -0.000 -0.000 -12.260) 12.260 3.980 ( 0.000 0.000 3.148) 3.148 4.379 ( -0.000 -0.000 1.163) 1.163 4.915 ( -0.000 -0.000 1.405) 1.405 6.365 ( -0.000 -0.000 -1.143) 1.143 6.398 ( -0.000 0.000 0.398) 0.398 6.902 ( -0.000 -0.000 0.205) 0.205 7.160 ( -0.000 -0.000 0.115) 0.115 8.035 ( -0.000 -0.000 3.665) 3.665 8.314 ( -0.000 -0.000 0.348) 0.348 8.784 ( -0.000 -0.000 0.443) 0.443 8.893 ( -0.000 -0.000 2.113) 2.113 11.825 ( -0.000 -0.000 -1.503) 1.503 11.858 ( -0.000 -0.000 0.437) 0.437 13.065 ( -0.000 -0.000 -0.047) 0.047 30.646 ( -0.000 -0.000 -0.030) 0.030 32.125 ( -0.000 -0.000 0.062) 0.062 32.282 ( -0.000 -0.000 -0.046) 0.046 32.571 ( -0.000 -0.000 0.045) 0.045 32.719 ( -0.000 -0.000 -0.116) 0.116 32.844 ( -0.000 -0.000 0.206) 0.206 36.673 ( -0.000 -0.000 0.078) 0.078 36.688 ( -0.000 -0.000 0.553) 0.553 36.775 ( -0.000 -0.000 -0.260) 0.260 36.784 ( -0.000 -0.000 -0.107) 0.107 68.245 ( -0.000 -0.000 0.084) 0.084 68.541 ( -0.000 -0.000 0.114) 0.114 69.592 ( -0.000 -0.000 -0.951) 0.951 70.248 ( -0.000 -0.000 -0.356) 0.356 70.448 ( -0.000 -0.000 1.467) 1.467 70.874 ( -0.000 -0.000 -0.281) 0.281 71.157 ( -0.000 -0.000 -1.545) 1.545 72.196 ( -0.000 -0.000 0.480) 0.480 ======================= Grid point 471 (82/112) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 -0.000 5.748) 5.748 0.922 ( 0.000 0.000 5.748) 5.748 2.114 ( 0.000 -0.000 -2.795) 2.795 2.114 ( 0.000 -0.000 -2.795) 2.795 2.306 ( 0.000 0.000 25.086) 25.086 3.417 ( 0.000 -0.000 -21.304) 21.304 5.973 ( 0.000 -0.000 0.310) 0.310 5.973 ( 0.000 0.000 0.310) 0.310 6.339 ( 0.000 0.000 0.175) 0.175 6.339 ( 0.000 0.000 0.175) 0.175 6.608 ( 0.000 0.000 2.050) 2.050 7.630 ( 0.000 -0.000 -0.132) 0.132 8.622 ( 0.000 0.000 0.216) 0.216 8.622 ( -0.000 -0.000 0.216) 0.216 9.521 ( 0.000 0.000 0.093) 0.093 11.856 ( 0.000 -0.000 -0.413) 0.413 11.856 ( 0.000 -0.000 -0.413) 0.413 11.970 ( 0.000 0.000 0.045) 0.045 30.826 ( 0.000 0.000 -0.104) 0.104 32.235 ( 0.000 -0.000 0.044) 0.044 32.235 ( -0.000 0.000 0.044) 0.044 32.637 ( 0.000 -0.000 -0.056) 0.056 32.637 ( 0.000 0.000 -0.056) 0.056 33.052 ( 0.000 -0.000 -0.028) 0.028 36.689 ( 0.000 -0.000 0.026) 0.026 36.689 ( 0.000 0.000 0.026) 0.026 36.819 ( 0.000 0.000 -0.041) 0.041 36.819 ( 0.000 0.000 -0.041) 0.041 68.340 ( 0.000 -0.000 0.016) 0.016 68.562 ( 0.000 -0.000 0.005) 0.005 69.554 ( 0.000 -0.000 0.016) 0.016 69.554 ( 0.000 0.000 0.016) 0.016 70.836 ( 0.000 -0.000 0.020) 0.020 70.836 ( -0.000 0.000 0.020) 0.020 70.921 ( 0.000 -0.000 -0.001) 0.001 72.635 ( 0.000 0.000 -0.028) 0.028 ======================= Grid point 472 (83/112) ======================= q-point: ( 0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 12.698 7.331 6.618) 16.087 1.303 ( 21.115 12.191 5.500) 24.994 2.142 ( 3.183 1.837 4.494) 5.805 2.168 ( 4.370 2.523 -3.155) 5.952 2.432 ( 11.415 6.590 11.088) 17.225 3.489 ( 6.503 3.755 -17.310) 18.869 5.938 ( -10.119 -5.842 3.527) 12.205 5.945 ( -1.632 -0.942 1.315) 2.298 6.218 ( 4.163 2.403 -2.320) 5.337 6.376 ( 2.204 1.273 -0.903) 2.701 6.818 ( 9.757 5.633 0.420) 11.274 7.669 ( 3.283 1.895 -0.117) 3.792 8.623 ( -0.024 -0.014 0.165) 0.167 8.632 ( 0.823 0.475 0.051) 0.951 9.414 ( -8.380 -4.838 1.430) 9.781 11.855 ( -0.015 -0.009 -0.267) 0.267 11.861 ( 0.211 0.122 -0.549) 0.601 12.036 ( 5.422 3.131 0.021) 6.261 30.807 ( -1.464 -0.845 -0.003) 1.690 32.227 ( -0.615 -0.355 0.022) 0.710 32.245 ( 0.749 0.433 -0.108) 0.872 32.634 ( -0.295 -0.170 -0.063) 0.346 32.649 ( 0.908 0.524 -0.142) 1.058 33.034 ( -1.402 -0.809 0.077) 1.620 36.687 ( -0.161 -0.093 -0.017) 0.186 36.691 ( 0.208 0.120 0.046) 0.244 36.814 ( -0.420 -0.242 -0.022) 0.485 36.823 ( 0.210 0.121 -0.046) 0.246 68.324 ( -1.175 -0.679 0.076) 1.359 68.561 ( -0.071 -0.041 0.005) 0.083 69.556 ( 0.151 0.087 0.018) 0.176 69.616 ( 4.760 2.748 -0.493) 5.519 70.776 ( -3.503 -2.022 0.689) 4.103 70.837 ( 0.067 0.039 0.029) 0.083 70.976 ( 3.087 1.783 -0.625) 3.620 72.596 ( -3.029 -1.749 0.305) 3.511 ======================= Grid point 473 (84/112) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 16.214 9.361 6.851) 19.936 1.582 ( 2.732 1.577 15.526) 15.844 2.280 ( 6.400 3.695 -9.798) 12.272 2.318 ( 7.940 4.584 -3.959) 9.986 2.924 ( 28.698 16.569 5.136) 33.533 3.738 ( 13.648 7.880 -9.284) 18.291 5.618 ( -13.830 -7.985 3.496) 16.348 5.898 ( -2.231 -1.288 1.659) 3.065 6.430 ( 2.022 1.167 -1.212) 2.630 6.432 ( 9.906 5.719 -7.547) 13.704 7.002 ( 5.808 3.353 3.488) 7.560 7.784 ( 6.143 3.547 -0.082) 7.094 8.620 ( -0.184 -0.106 0.112) 0.240 8.657 ( 0.865 0.499 -0.625) 1.178 9.165 ( -11.046 -6.377 3.800) 13.308 11.856 ( 0.049 0.028 -0.188) 0.197 11.863 ( -0.099 -0.057 -0.481) 0.494 12.220 ( 9.560 5.519 0.019) 11.039 30.765 ( -1.898 -1.096 0.060) 2.193 32.206 ( -1.089 -0.629 0.005) 1.258 32.265 ( 0.809 0.467 -0.266) 0.972 32.623 ( -0.533 -0.308 -0.059) 0.618 32.674 ( 1.093 0.631 -0.216) 1.281 32.991 ( -2.044 -1.180 0.200) 2.369 36.681 ( -0.310 -0.179 -0.042) 0.361 36.698 ( 0.324 0.187 0.001) 0.374 36.800 ( -0.716 -0.413 -0.014) 0.826 36.827 ( 0.154 0.089 0.042) 0.182 68.294 ( -1.184 -0.683 0.046) 1.368 68.559 ( -0.124 -0.072 -0.002) 0.144 69.561 ( 0.264 0.152 0.016) 0.305 69.757 ( 6.489 3.746 -0.982) 7.557 70.693 ( -3.281 -1.894 1.012) 3.922 70.839 ( 0.124 0.071 0.033) 0.147 71.044 ( 2.484 1.434 -0.883) 3.001 72.504 ( -4.334 -2.502 0.647) 5.046 ======================= Grid point 474 (85/112) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.591 0.341 16.504) 16.518 1.817 ( 13.944 8.051 6.588) 17.397 2.409 ( 4.705 2.716 -14.655) 15.629 2.537 ( 9.940 5.739 -4.518) 12.335 3.647 ( 28.564 16.491 2.081) 33.048 4.091 ( 14.585 8.421 -3.161) 17.135 5.311 ( -11.223 -6.480 0.706) 12.979 5.840 ( -2.598 -1.500 1.526) 3.366 6.465 ( 0.846 0.488 -0.973) 1.378 6.624 ( 5.768 3.330 -11.032) 12.887 7.115 ( 3.827 2.209 7.224) 8.468 7.953 ( 7.553 4.360 0.019) 8.721 8.613 ( -0.373 -0.215 0.034) 0.432 8.628 ( -4.497 -2.596 -0.235) 5.198 8.963 ( -4.065 -2.347 4.227) 6.316 11.855 ( -0.489 -0.283 -0.268) 0.625 11.857 ( 0.089 0.051 -0.179) 0.206 12.476 ( 11.254 6.497 0.023) 12.995 30.721 ( -1.672 -0.966 0.016) 1.931 32.177 ( -1.289 -0.744 -0.003) 1.488 32.281 ( 0.534 0.308 -0.240) 0.661 32.609 ( -0.645 -0.372 -0.046) 0.746 32.698 ( 0.785 0.453 -0.157) 0.920 32.942 ( -1.946 -1.123 0.197) 2.255 36.673 ( -0.388 -0.224 -0.040) 0.450 36.706 ( 0.336 0.194 -0.055) 0.392 36.781 ( -0.817 -0.472 -0.021) 0.944 36.829 ( -0.016 -0.009 0.160) 0.161 68.271 ( -0.695 -0.401 -0.025) 0.803 68.556 ( -0.153 -0.088 -0.011) 0.177 69.568 ( 0.306 0.177 0.011) 0.354 69.909 ( 5.872 3.390 -0.901) 6.840 70.624 ( -2.409 -1.391 0.910) 2.926 70.843 ( 0.149 0.086 0.031) 0.175 71.093 ( 1.556 0.898 -0.819) 1.974 72.400 ( -4.168 -2.406 0.583) 4.848 ======================= Grid point 475 (86/112) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 2.875 1.660 10.894) 11.389 2.102 ( 9.732 5.619 5.106) 12.343 2.519 ( 4.449 2.569 -12.280) 13.311 2.773 ( 9.164 5.291 -3.882) 11.271 4.188 ( 14.029 8.099 0.834) 16.220 4.399 ( 11.077 6.396 0.285) 12.794 5.122 ( -3.244 -1.873 -1.815) 4.163 5.778 ( -2.401 -1.386 1.047) 2.964 6.472 ( -0.186 -0.107 -0.440) 0.490 6.722 ( 2.847 1.644 -9.445) 10.000 7.184 ( 1.760 1.016 6.168) 6.494 8.129 ( 6.724 3.882 0.259) 7.768 8.466 ( -7.245 -4.183 2.088) 8.623 8.604 ( -0.411 -0.237 -0.111) 0.487 8.958 ( 2.023 1.168 2.046) 3.105 11.841 ( -0.628 -0.363 -0.090) 0.731 11.860 ( 0.106 0.061 -0.231) 0.262 12.736 ( 9.871 5.699 0.020) 11.398 30.686 ( -1.211 -0.699 -0.023) 1.399 32.147 ( -1.145 -0.661 0.003) 1.322 32.290 ( 0.261 0.151 -0.157) 0.340 32.594 ( -0.583 -0.337 -0.030) 0.674 32.712 ( 0.420 0.243 -0.064) 0.489 32.901 ( -1.423 -0.822 0.138) 1.649 36.663 ( -0.364 -0.210 -0.008) 0.421 36.713 ( 0.281 0.162 -0.066) 0.331 36.763 ( -0.698 -0.403 -0.043) 0.807 36.827 ( -0.122 -0.071 0.206) 0.250 68.260 ( -0.295 -0.170 -0.032) 0.342 68.552 ( -0.145 -0.084 -0.013) 0.168 69.575 ( 0.266 0.153 0.005) 0.307 70.031 ( 4.171 2.408 -0.665) 4.861 70.578 ( -1.393 -0.804 0.727) 1.766 70.846 ( 0.135 0.078 0.024) 0.158 71.121 ( 0.814 0.470 -0.729) 1.190 72.311 ( -3.173 -1.832 0.372) 3.682 ======================= Grid point 476 (87/112) ======================= q-point: ( 0.42 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 4.147 2.394 1.767) 5.104 2.283 ( 5.350 3.089 2.762) 6.767 2.611 ( 2.751 1.588 -7.744) 8.370 2.950 ( 5.179 2.990 -2.275) 6.398 4.299 ( -1.539 -0.889 3.200) 3.660 4.622 ( 6.458 3.728 -2.152) 7.761 5.159 ( 4.180 2.414 -0.909) 4.912 5.731 ( -1.343 -0.776 0.320) 1.584 6.462 ( -0.523 -0.302 0.207) 0.639 6.774 ( 1.394 0.805 -4.845) 5.106 7.205 ( 0.379 0.219 2.311) 2.352 8.259 ( 3.866 2.232 0.640) 4.510 8.327 ( -3.965 -2.289 2.455) 5.196 8.595 ( -0.247 -0.143 -0.331) 0.437 9.011 ( 1.904 1.099 1.195) 2.502 11.828 ( -0.412 -0.238 -0.026) 0.477 11.862 ( 0.097 0.056 -0.336) 0.354 12.928 ( 5.738 3.313 0.009) 6.625 30.664 ( -0.639 -0.369 -0.032) 0.738 32.125 ( -0.678 -0.392 0.022) 0.783 32.294 ( 0.090 0.052 -0.103) 0.147 32.582 ( -0.348 -0.201 -0.016) 0.403 32.719 ( 0.174 0.101 -0.009) 0.201 32.875 ( -0.734 -0.424 0.091) 0.852 36.656 ( -0.233 -0.135 0.048) 0.274 36.718 ( 0.150 0.087 -0.010) 0.173 36.749 ( -0.392 -0.226 -0.078) 0.459 36.824 ( -0.088 -0.051 0.152) 0.183 68.255 ( -0.092 -0.053 -0.006) 0.106 68.549 ( -0.094 -0.054 -0.002) 0.109 69.580 ( 0.153 0.089 0.001) 0.177 70.107 ( 2.142 1.237 -0.613) 2.549 70.555 ( -0.612 -0.353 0.719) 1.008 70.849 ( 0.083 0.048 0.012) 0.097 71.134 ( 0.347 0.200 -0.718) 0.822 72.251 ( -1.713 -0.989 0.235) 1.992 ======================= Grid point 477 (88/112) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 4.278 2.470 -8.166) 9.544 2.359 ( 0.926 0.535 0.483) 1.173 2.628 ( -1.651 -0.953 -3.499) 3.985 3.006 ( -0.703 -0.406 -0.565) 0.988 4.250 ( -1.128 -0.651 5.070) 5.234 4.699 ( 0.194 0.112 -3.194) 3.202 5.215 ( -0.681 -0.393 1.062) 1.322 5.719 ( 0.371 0.214 -0.512) 0.667 6.452 ( -0.297 -0.171 0.874) 0.939 6.773 ( -1.693 -0.978 -0.330) 1.983 7.224 ( 1.539 0.888 -1.597) 2.389 8.283 ( 0.312 0.180 1.876) 1.910 8.306 ( -0.030 -0.018 0.904) 0.905 8.592 ( -0.043 -0.025 -0.420) 0.423 9.037 ( 0.095 0.055 0.877) 0.884 11.823 ( 0.038 0.022 -0.072) 0.084 11.864 ( 0.059 0.034 -0.465) 0.470 12.998 ( 0.011 0.006 -0.009) 0.016 30.656 ( -0.001 -0.000 -0.029) 0.029 32.116 ( -0.012 -0.007 0.048) 0.050 32.295 ( 0.005 0.003 -0.094) 0.095 32.578 ( -0.003 -0.002 -0.006) 0.007 32.721 ( 0.013 0.008 -0.010) 0.018 32.866 ( 0.001 0.001 0.074) 0.074 36.653 ( -0.029 -0.017 0.111) 0.116 36.720 ( -0.038 -0.022 0.080) 0.091 36.745 ( 0.017 0.010 -0.115) 0.117 36.824 ( 0.048 0.028 0.045) 0.071 68.254 ( -0.009 -0.005 0.019) 0.022 68.548 ( -0.009 -0.005 0.017) 0.020 69.582 ( -0.000 -0.000 -0.001) 0.001 70.134 ( 0.116 0.067 -0.801) 0.812 70.546 ( -0.118 -0.068 0.925) 0.935 70.850 ( 0.007 0.004 -0.003) 0.008 71.139 ( 0.037 0.021 -0.778) 0.779 72.230 ( -0.024 -0.014 0.227) 0.229 ======================= Grid point 479 (89/112) ======================= q-point: (-0.42 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 2.198 1.269 -14.891) 15.106 2.325 ( -3.794 -2.190 -0.958) 4.484 2.535 ( -5.429 -3.134 -1.106) 6.366 2.919 ( -6.284 -3.628 0.465) 7.271 4.245 ( -0.673 -0.389 8.063) 8.100 4.635 ( -5.613 -3.241 -3.335) 7.289 5.130 ( -5.092 -2.940 1.868) 6.169 5.749 ( 2.001 1.155 -1.260) 2.632 6.448 ( -0.055 -0.032 1.519) 1.521 6.696 ( -4.457 -2.573 2.307) 5.640 7.275 ( 2.322 1.341 -3.982) 4.801 8.258 ( -3.919 -2.263 0.766) 4.590 8.340 ( 4.327 2.498 1.161) 5.130 8.594 ( 0.186 0.107 -0.164) 0.270 9.016 ( -1.689 -0.975 0.791) 2.104 11.829 ( 0.456 0.263 -0.166) 0.552 11.865 ( 0.001 0.001 -0.576) 0.576 12.928 ( -5.718 -3.301 -0.036) 6.603 30.664 ( 0.639 0.369 -0.029) 0.739 32.124 ( 0.657 0.379 0.073) 0.762 32.294 ( -0.085 -0.049 -0.122) 0.156 32.582 ( 0.342 0.198 -0.002) 0.395 32.719 ( -0.151 -0.087 -0.063) 0.186 32.875 ( 0.738 0.426 0.083) 0.856 36.655 ( 0.186 0.107 0.163) 0.269 36.717 ( -0.196 -0.113 0.133) 0.262 36.750 ( 0.418 0.241 -0.142) 0.503 36.826 ( 0.149 0.086 -0.031) 0.175 68.255 ( 0.070 0.040 0.037) 0.089 68.549 ( 0.082 0.047 0.033) 0.100 69.580 ( -0.153 -0.088 0.000) 0.177 70.111 ( -2.004 -1.157 -1.062) 2.546 70.550 ( 0.475 0.274 1.167) 1.290 70.849 ( -0.073 -0.042 -0.015) 0.085 71.136 ( -0.297 -0.171 -0.858) 0.924 72.250 ( 1.681 0.971 0.330) 1.969 ======================= Grid point 480 (90/112) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -4.258 -2.458 -9.753) 10.923 2.172 ( -9.134 -5.274 -0.828) 10.580 2.421 ( -3.044 -1.757 -6.148) 7.082 2.725 ( -9.350 -5.398 0.111) 10.797 4.102 ( -13.515 -7.803 8.683) 17.859 4.418 ( -12.380 -7.148 -1.134) 14.340 5.087 ( 3.604 2.081 1.336) 4.370 5.809 ( 2.850 1.645 -1.776) 3.739 6.445 ( -0.310 -0.179 2.082) 2.112 6.575 ( -5.420 -3.129 4.388) 7.643 7.315 ( 0.574 0.331 -6.006) 6.042 8.126 ( -6.741 -3.892 0.465) 7.797 8.479 ( 6.810 3.932 0.631) 7.889 8.601 ( 0.394 0.227 0.141) 0.476 8.970 ( -1.612 -0.931 1.075) 2.150 11.843 ( 0.605 0.349 -0.254) 0.744 11.864 ( -0.058 -0.034 -0.632) 0.636 12.737 ( -9.857 -5.691 -0.063) 11.382 30.686 ( 1.216 0.702 -0.026) 1.404 32.146 ( 1.134 0.655 0.089) 1.313 32.291 ( -0.265 -0.153 -0.177) 0.353 32.594 ( 0.578 0.334 -0.004) 0.668 32.713 ( -0.406 -0.234 -0.160) 0.495 32.901 ( 1.428 0.824 0.119) 1.653 36.661 ( 0.341 0.197 0.185) 0.435 36.711 ( -0.271 -0.157 0.120) 0.335 36.764 ( 0.709 0.409 -0.148) 0.832 36.830 ( 0.119 0.068 -0.043) 0.144 68.259 ( 0.272 0.157 0.060) 0.320 68.551 ( 0.145 0.084 0.036) 0.171 69.575 ( -0.264 -0.153 0.003) 0.305 70.037 ( -4.193 -2.421 -1.238) 4.998 70.572 ( 1.431 0.826 1.276) 2.088 70.847 ( -0.130 -0.075 -0.021) 0.152 71.123 ( -0.814 -0.470 -0.922) 1.317 72.309 ( 3.172 1.831 0.505) 3.697 ======================= Grid point 481 (91/112) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -7.613 -4.396 5.634) 10.442 1.886 ( -14.485 -8.363 0.785) 16.745 2.384 ( -1.085 -0.627 -14.741) 14.794 2.497 ( -9.145 -5.280 -1.423) 10.656 3.594 ( -26.996 -15.586 7.076) 31.966 4.074 ( -15.540 -8.972 -1.544) 18.011 5.291 ( 12.115 6.995 2.612) 14.231 5.878 ( 2.755 1.591 -1.977) 3.746 6.429 ( -1.119 -0.646 2.425) 2.748 6.436 ( -6.234 -3.599 6.250) 9.532 7.284 ( -3.491 -2.015 -8.152) 9.094 7.950 ( -7.521 -4.342 0.207) 8.687 8.611 ( 0.390 0.225 0.283) 0.532 8.623 ( 3.830 2.211 0.038) 4.423 8.986 ( 4.311 2.489 2.072) 5.392 11.856 ( 0.416 0.240 -0.324) 0.579 11.862 ( -0.097 -0.056 -0.622) 0.632 12.477 ( -11.252 -6.496 -0.079) 12.993 30.721 ( 1.677 0.968 0.002) 1.936 32.176 ( 1.291 0.745 0.092) 1.493 32.281 ( -0.537 -0.310 -0.248) 0.668 32.609 ( 0.643 0.371 -0.012) 0.742 32.699 ( -0.787 -0.454 -0.269) 0.947 32.942 ( 1.946 1.123 0.172) 2.253 36.670 ( 0.394 0.227 0.173) 0.486 36.704 ( -0.287 -0.166 0.064) 0.337 36.783 ( 0.812 0.469 -0.133) 0.947 36.831 ( -0.034 -0.020 -0.027) 0.048 68.270 ( 0.690 0.399 0.103) 0.804 68.555 ( 0.161 0.093 0.028) 0.188 69.568 ( -0.305 -0.176 0.006) 0.352 69.913 ( -5.970 -3.447 -1.320) 7.018 70.620 ( 2.521 1.455 1.265) 3.174 70.843 ( -0.151 -0.087 -0.017) 0.175 71.094 ( -1.595 -0.921 -0.964) 2.079 72.399 ( 4.189 2.419 0.690) 4.886 ======================= Grid point 482 (92/112) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -17.067 -9.854 2.446) 19.859 1.570 ( -7.155 -4.131 14.805) 16.954 2.299 ( -7.150 -4.128 -2.535) 8.637 2.309 ( -6.213 -3.587 -10.345) 12.589 2.915 ( -26.588 -15.350 5.913) 31.265 3.714 ( -13.304 -7.681 -7.421) 17.061 5.625 ( 15.165 8.756 3.211) 17.803 5.936 ( 1.999 1.154 -1.770) 2.909 6.272 ( -7.331 -4.233 6.271) 10.535 6.391 ( -1.864 -1.076 2.339) 3.178 7.137 ( -8.828 -5.097 -8.197) 13.080 7.783 ( -6.095 -3.519 0.012) 7.038 8.618 ( 0.219 0.126 0.303) 0.394 8.651 ( -0.561 -0.324 -0.110) 0.657 9.180 ( 10.388 5.997 2.393) 12.231 11.860 ( -0.099 -0.057 -0.564) 0.575 11.861 ( 0.025 0.014 -0.368) 0.369 12.221 ( -9.578 -5.530 -0.067) 11.060 30.765 ( 1.895 1.094 0.043) 2.189 32.205 ( 1.102 0.636 0.083) 1.275 32.265 ( -0.802 -0.463 -0.277) 0.966 32.623 ( 0.536 0.309 -0.025) 0.619 32.675 ( -1.115 -0.643 -0.304) 1.322 32.991 ( 2.039 1.177 0.182) 2.361 36.679 ( 0.339 0.196 0.134) 0.414 36.698 ( -0.274 -0.158 0.003) 0.317 36.801 ( 0.699 0.404 -0.103) 0.814 36.828 ( -0.208 -0.120 -0.023) 0.241 68.293 ( 1.212 0.700 0.151) 1.408 68.559 ( 0.133 0.077 0.016) 0.155 69.561 ( -0.264 -0.152 0.010) 0.305 69.759 ( -6.581 -3.799 -1.180) 7.690 70.691 ( 3.360 1.940 1.142) 4.044 70.840 ( -0.130 -0.075 -0.007) 0.151 71.045 ( -2.523 -1.457 -0.936) 3.061 72.504 ( 4.358 2.516 0.699) 5.081 ======================= Grid point 483 (93/112) ======================= q-point: (-0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -13.696 -7.907 3.956) 16.302 1.265 ( -19.592 -11.312 8.775) 24.266 2.143 ( -3.999 -2.309 4.744) 6.620 2.163 ( -4.030 -2.327 -2.778) 5.420 2.449 ( -12.115 -6.995 9.776) 17.067 3.482 ( -5.784 -3.339 -16.963) 18.231 5.962 ( 7.991 4.614 1.533) 9.354 5.971 ( 0.834 0.482 -0.990) 1.381 6.143 ( 1.867 1.078 4.156) 4.682 6.349 ( -1.371 -0.791 1.565) 2.226 6.866 ( -13.272 -7.662 -3.833) 15.797 7.669 ( -3.262 -1.883 -0.102) 3.768 8.621 ( 0.069 0.040 0.268) 0.280 8.632 ( -0.705 -0.407 0.069) 0.817 9.416 ( 8.102 4.678 1.189) 9.431 11.858 ( -0.068 -0.039 -0.499) 0.505 11.858 ( -0.185 -0.107 -0.361) 0.419 12.037 ( -5.450 -3.147 -0.010) 6.293 30.807 ( 1.458 0.842 -0.008) 1.684 32.227 ( 0.633 0.366 0.066) 0.734 32.245 ( -0.749 -0.432 -0.134) 0.875 32.633 ( 0.303 0.175 -0.041) 0.352 32.649 ( -0.930 -0.537 -0.177) 1.088 33.034 ( 1.397 0.807 0.073) 1.615 36.686 ( 0.203 0.117 0.080) 0.248 36.692 ( -0.209 -0.121 -0.016) 0.242 36.815 ( 0.398 0.230 -0.069) 0.465 36.822 ( -0.223 -0.129 -0.027) 0.259 68.324 ( 1.205 0.696 0.105) 1.395 68.561 ( 0.075 0.043 0.008) 0.087 69.556 ( -0.153 -0.088 0.013) 0.177 69.616 ( -4.804 -2.773 -0.529) 5.572 70.776 ( 3.525 2.035 0.713) 4.132 70.837 ( -0.077 -0.044 0.007) 0.089 70.976 ( -3.096 -1.788 -0.626) 3.630 72.596 ( 3.040 1.755 0.314) 3.524 ======================= Grid point 485 (94/112) ======================= q-point: ( 0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 7.561 16.998 5.759) 19.475 1.544 ( 6.760 8.658 12.548) 16.676 2.240 ( 3.077 6.829 -5.645) 9.379 2.278 ( 4.909 8.038 -3.309) 9.982 2.745 ( 13.300 23.401 6.064) 27.591 3.641 ( 7.352 10.994 -10.725) 17.028 5.710 ( -8.985 -14.374 3.487) 17.306 5.961 ( -2.187 0.980 1.025) 2.607 6.215 ( 6.442 0.143 -1.466) 6.608 6.465 ( 6.955 5.944 1.909) 9.345 7.008 ( -0.084 9.788 -3.725) 10.473 7.748 ( 3.270 5.611 -0.070) 6.495 8.620 ( -0.107 -0.331 0.134) 0.373 8.649 ( 0.763 0.973 -0.155) 1.246 9.242 ( -6.621 -10.618 2.704) 12.802 11.857 ( -0.108 0.085 -0.337) 0.364 11.862 ( 0.093 0.061 -0.483) 0.496 12.162 ( 4.967 8.670 -0.020) 9.993 30.777 ( -1.086 -1.867 0.051) 2.161 32.213 ( -0.533 -0.988 0.044) 1.123 32.259 ( 0.469 0.829 -0.252) 0.985 32.627 ( -0.260 -0.479 -0.045) 0.547 32.668 ( 0.615 1.132 -0.249) 1.312 33.004 ( -1.134 -1.953 0.172) 2.265 36.683 ( -0.074 -0.282 0.039) 0.294 36.695 ( 0.120 0.245 0.007) 0.273 36.806 ( -0.382 -0.587 -0.055) 0.702 36.826 ( 0.088 0.178 -0.006) 0.199 68.301 ( -0.713 -1.311 0.110) 1.496 68.560 ( -0.064 -0.122 0.007) 0.138 69.560 ( 0.135 0.240 0.008) 0.276 69.717 ( 3.630 6.412 -0.982) 7.434 70.714 ( -1.976 -3.505 1.024) 4.152 70.839 ( 0.065 0.145 0.013) 0.159 71.028 ( 1.556 2.727 -0.876) 3.260 72.531 ( -2.394 -4.179 0.617) 4.856 ======================= Grid point 486 (95/112) ======================= q-point: ( 0.17 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 2.302 3.410 13.832) 14.431 1.781 ( 7.631 17.332 7.202) 20.260 2.348 ( 3.577 2.325 -14.387) 15.007 2.489 ( 6.998 11.369 -3.874) 13.900 3.361 ( 23.933 23.535 3.789) 33.779 3.942 ( 11.905 11.069 -4.584) 16.889 5.402 ( -9.308 -11.961 2.013) 15.289 5.925 ( -4.333 3.505 1.607) 5.801 6.334 ( 8.221 -3.242 -3.481) 9.497 6.651 ( 3.664 8.264 -2.755) 9.451 7.072 ( 0.959 2.671 1.584) 3.250 7.894 ( 5.383 6.667 0.025) 8.569 8.602 ( -0.932 -2.331 -0.067) 2.511 8.666 ( -0.302 0.407 -0.456) 0.682 9.016 ( -6.300 -6.726 4.112) 10.092 11.854 ( -0.140 -0.290 -0.367) 0.488 11.862 ( -0.146 0.111 -0.251) 0.311 12.381 ( 8.284 9.571 -0.004) 12.658 30.736 ( -1.359 -1.566 0.032) 2.074 32.189 ( -0.939 -1.035 0.018) 1.398 32.275 ( 0.491 0.498 -0.262) 0.747 32.615 ( -0.471 -0.528 -0.043) 0.709 32.690 ( 0.680 0.789 -0.214) 1.063 32.959 ( -1.553 -1.802 0.205) 2.387 36.677 ( -0.273 -0.209 -0.009) 0.344 36.701 ( 0.291 0.119 -0.006) 0.314 36.790 ( -0.648 -0.554 -0.045) 0.854 36.828 ( 0.034 -0.071 0.091) 0.121 68.277 ( -0.639 -0.816 0.025) 1.037 68.557 ( -0.106 -0.147 0.000) 0.182 69.565 ( 0.223 0.247 -0.008) 0.333 69.859 ( 4.708 5.691 -1.032) 7.458 70.644 ( -2.058 -2.596 1.033) 3.470 70.842 ( 0.094 0.216 0.017) 0.236 71.078 ( 1.408 1.624 -0.878) 2.322 72.436 ( -3.276 -3.822 0.660) 5.077 ======================= Grid point 487 (96/112) ======================= q-point: ( 0.25 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 1.017 4.779 11.766) 12.740 2.090 ( 5.731 16.637 5.497) 18.435 2.436 ( 5.149 0.093 -13.671) 14.609 2.744 ( 6.333 13.340 -4.115) 15.330 3.973 ( 19.983 13.308 1.090) 24.033 4.251 ( 11.455 6.425 0.057) 13.134 5.155 ( -5.619 -7.639 -0.730) 9.511 5.881 ( -5.551 5.307 1.377) 7.802 6.433 ( 5.206 -1.433 -2.299) 5.869 6.741 ( -1.155 5.661 -7.810) 9.714 7.125 ( 3.880 -1.084 5.925) 7.165 8.064 ( 5.825 5.834 0.246) 8.248 8.502 ( -4.343 -7.379 1.042) 8.625 8.647 ( -2.172 1.692 0.036) 2.753 8.934 ( 0.744 -0.453 2.755) 2.890 11.844 ( -0.373 -0.645 -0.307) 0.806 11.862 ( -0.107 0.227 -0.114) 0.276 12.637 ( 8.992 8.561 0.008) 12.416 30.699 ( -1.174 -1.144 -0.012) 1.639 32.160 ( -1.070 -0.855 0.008) 1.370 32.286 ( 0.335 0.174 -0.186) 0.421 32.600 ( -0.538 -0.490 -0.032) 0.728 32.707 ( 0.469 0.399 -0.116) 0.627 32.915 ( -1.378 -1.392 0.161) 1.965 36.669 ( -0.401 -0.099 -0.008) 0.413 36.708 ( 0.375 -0.014 -0.032) 0.376 36.772 ( -0.736 -0.387 -0.056) 0.834 36.826 ( -0.012 -0.310 0.174) 0.356 68.262 ( -0.327 -0.416 -0.021) 0.530 68.553 ( -0.117 -0.156 -0.005) 0.195 69.572 ( 0.248 0.185 -0.031) 0.311 69.992 ( 3.989 4.425 -0.771) 6.007 70.589 ( -1.393 -1.830 0.841) 2.449 70.847 ( 0.071 0.278 0.011) 0.287 71.111 ( 0.900 0.800 -0.773) 1.431 72.343 ( -3.015 -2.960 0.472) 4.251 ======================= Grid point 488 (97/112) ======================= q-point: ( 0.33 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 1.509 6.255 5.334) 8.357 2.314 ( 1.511 13.395 2.981) 13.806 2.539 ( 5.877 0.331 -8.926) 10.692 2.966 ( 2.751 12.236 -3.296) 12.967 4.257 ( 4.554 -1.544 1.806) 5.137 4.497 ( 10.324 2.916 -0.274) 10.732 5.084 ( 3.112 -1.892 -1.548) 3.958 5.841 ( -5.836 7.111 0.742) 9.229 6.482 ( 0.424 0.942 -0.686) 1.240 6.767 ( 0.061 2.559 -6.319) 6.818 7.172 ( 2.678 -1.610 4.025) 5.096 8.208 ( 4.469 3.175 0.718) 5.529 8.351 ( -3.443 -5.848 1.892) 7.046 8.631 ( -1.974 2.333 -0.061) 3.056 8.975 ( 2.719 0.369 1.485) 3.121 11.830 ( -0.362 -0.627 -0.196) 0.750 11.863 ( -0.023 0.165 -0.161) 0.232 12.860 ( 6.837 5.894 0.008) 9.027 30.671 ( -0.771 -0.719 -0.029) 1.054 32.135 ( -0.880 -0.491 0.015) 1.007 32.291 ( 0.197 -0.049 -0.114) 0.233 32.586 ( -0.418 -0.363 -0.017) 0.554 32.716 ( 0.257 0.138 -0.038) 0.294 32.883 ( -0.869 -0.915 0.109) 1.267 36.661 ( -0.393 0.027 0.028) 0.395 36.713 ( 0.349 -0.130 -0.005) 0.372 36.757 ( -0.614 -0.138 -0.088) 0.635 36.822 ( 0.038 -0.435 0.170) 0.469 68.256 ( -0.092 -0.214 -0.011) 0.233 68.550 ( -0.086 -0.140 -0.001) 0.164 69.578 ( 0.209 0.078 -0.055) 0.230 70.089 ( 2.343 3.140 -0.566) 3.958 70.556 ( -0.550 -1.354 0.706) 1.623 70.850 ( -0.000 0.313 -0.001) 0.313 71.129 ( 0.485 0.293 -0.713) 0.911 72.271 ( -2.044 -1.903 0.288) 2.808 ======================= Grid point 489 (98/112) ======================= q-point: ( 0.42 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 1.883 6.198 -3.389) 7.311 2.420 ( -1.737 7.654 0.418) 7.860 2.630 ( 1.700 2.262 -3.954) 4.863 3.079 ( -2.404 8.663 -1.747) 9.158 4.235 ( -0.170 -4.537 3.519) 5.745 4.641 ( 4.942 -1.790 -2.566) 5.849 5.149 ( 4.507 -3.183 0.189) 5.521 5.823 ( -5.284 8.648 0.030) 10.135 6.481 ( -1.464 1.509 0.240) 2.116 6.789 ( -0.401 0.922 -2.050) 2.284 7.195 ( 1.782 -0.868 0.279) 2.002 8.247 ( 0.703 -3.523 2.254) 4.241 8.308 ( 0.944 0.888 0.422) 1.363 8.623 ( -1.706 2.517 -0.174) 3.046 9.017 ( 1.696 -0.524 1.010) 2.042 11.821 ( -0.024 -0.417 -0.184) 0.456 11.864 ( 0.019 0.097 -0.262) 0.280 12.989 ( 2.364 2.416 -0.003) 3.380 30.657 ( -0.231 -0.313 -0.028) 0.390 32.120 ( -0.408 -0.052 0.034) 0.413 32.293 ( 0.131 -0.159 -0.084) 0.222 32.578 ( -0.139 -0.171 -0.006) 0.220 32.720 ( 0.108 -0.003 -0.010) 0.109 32.866 ( -0.212 -0.458 0.080) 0.511 36.656 ( -0.262 0.166 0.081) 0.321 36.717 ( 0.216 -0.240 0.075) 0.331 36.748 ( -0.315 0.121 -0.125) 0.360 36.819 ( 0.194 -0.427 0.086) 0.477 68.253 ( 0.024 -0.137 0.012) 0.139 68.547 ( -0.015 -0.097 0.014) 0.099 69.581 ( 0.112 -0.034 -0.069) 0.136 70.140 ( 0.371 1.951 -0.605) 2.076 70.540 ( 0.136 -1.094 0.784) 1.353 70.853 ( -0.101 0.301 -0.016) 0.318 71.136 ( 0.207 0.016 -0.732) 0.761 72.232 ( -0.639 -0.828 0.216) 1.068 ======================= Grid point 490 (99/112) ======================= q-point: (-0.50 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 1.393 4.649 -11.510) 12.491 2.414 ( -4.348 2.041 0.561) 4.836 2.620 ( -5.603 2.318 -2.554) 6.580 3.061 ( -7.632 5.496 -0.169) 9.406 4.212 ( 1.865 -2.927 5.715) 6.686 4.646 ( -0.410 -5.007 -3.009) 5.855 5.137 ( -0.631 -5.695 1.309) 5.877 5.830 ( -4.155 9.249 -0.705) 10.164 6.471 ( -1.252 1.333 1.118) 2.143 6.754 ( -3.733 -0.370 1.136) 3.919 7.229 ( 2.737 -0.678 -2.684) 3.893 8.253 ( 2.996 -2.159 1.697) 4.065 8.308 ( -1.053 -0.400 0.410) 1.199 8.622 ( -1.422 2.651 -0.058) 3.008 9.019 ( -0.204 -1.636 0.821) 1.842 11.822 ( 0.438 -0.161 -0.254) 0.532 11.865 ( 0.010 0.062 -0.366) 0.371 12.989 ( -3.255 -0.832 -0.022) 3.360 30.657 ( 0.385 0.043 -0.027) 0.389 32.120 ( 0.227 0.320 0.056) 0.396 32.293 ( 0.081 -0.190 -0.093) 0.226 32.578 ( 0.212 0.033 -0.000) 0.214 32.720 ( -0.028 -0.088 -0.033) 0.098 32.866 ( 0.506 -0.045 0.078) 0.514 36.656 ( -0.064 0.295 0.130) 0.328 36.716 ( 0.037 -0.325 0.140) 0.356 36.749 ( 0.080 0.332 -0.144) 0.370 36.820 ( 0.356 -0.347 -0.005) 0.497 68.253 ( 0.088 -0.095 0.029) 0.133 68.547 ( 0.076 -0.041 0.030) 0.091 69.581 ( -0.026 -0.114 -0.069) 0.136 70.143 ( -1.678 0.730 -0.829) 2.009 70.537 ( 0.679 -0.740 1.008) 1.424 70.853 ( -0.199 0.241 -0.026) 0.314 71.137 ( -0.053 -0.150 -0.797) 0.813 72.232 ( 0.995 0.126 0.260) 1.036 ======================= Grid point 491 (100/112) ======================= q-point: (-0.42 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -2.287 -0.012 -12.819) 13.021 2.320 ( -7.066 0.389 0.913) 7.135 2.496 ( -8.571 0.346 -4.310) 9.600 2.925 ( -12.535 3.757 0.166) 13.086 4.189 ( -3.014 -4.563 7.912) 9.618 4.519 ( -6.873 -7.332 -1.948) 10.237 5.056 ( -0.577 -3.094 1.028) 3.311 5.866 ( -2.574 9.024 -1.543) 9.510 6.452 ( -1.572 -1.181 1.958) 2.775 6.670 ( -5.321 1.487 2.944) 6.260 7.266 ( 2.806 -2.594 -4.624) 5.999 8.207 ( -5.153 -2.257 0.779) 5.679 8.364 ( 7.055 -0.112 0.596) 7.081 8.627 ( -1.076 2.750 0.262) 2.965 8.982 ( -1.414 -2.110 0.895) 2.693 11.832 ( 0.748 -0.015 -0.344) 0.824 11.866 ( -0.042 0.063 -0.428) 0.435 12.860 ( -8.503 -2.979 -0.045) 9.010 30.671 ( 1.010 0.309 -0.028) 1.056 32.134 ( 0.846 0.523 0.073) 0.997 32.292 ( -0.055 -0.198 -0.133) 0.245 32.586 ( 0.518 0.182 -0.001) 0.549 32.717 ( -0.225 -0.160 -0.100) 0.294 32.883 ( 1.232 0.295 0.099) 1.271 36.660 ( 0.128 0.370 0.157) 0.422 36.712 ( -0.093 -0.343 0.142) 0.383 36.758 ( 0.459 0.443 -0.146) 0.655 36.824 ( 0.395 -0.270 -0.034) 0.480 68.255 ( 0.207 -0.023 0.043) 0.212 68.549 ( 0.155 0.010 0.036) 0.160 69.578 ( -0.172 -0.142 -0.056) 0.230 70.094 ( -3.811 -0.522 -1.041) 3.985 70.551 ( 1.374 -0.134 1.174) 1.812 70.851 ( -0.260 0.152 -0.030) 0.303 71.131 ( -0.460 -0.295 -0.862) 1.021 72.270 ( 2.647 0.833 0.389) 2.802 ======================= Grid point 492 (101/112) ======================= q-point: (-0.33 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -7.078 -5.372 -0.933) 8.934 2.136 ( -15.465 1.118 0.864) 15.530 2.388 ( -1.925 -1.329 -11.612) 11.846 2.708 ( -14.522 2.527 -1.245) 14.793 3.913 ( -20.505 -8.514 6.741) 23.203 4.256 ( -12.985 -7.182 -0.214) 14.840 5.133 ( 9.634 1.983 1.281) 9.919 5.918 ( -1.533 7.663 -2.042) 8.077 6.375 ( -2.381 -6.055 2.624) 7.015 6.614 ( -5.800 6.454 4.413) 9.735 7.260 ( 0.965 -5.602 -6.546) 8.669 8.062 ( -7.968 -2.055 0.395) 8.238 8.509 ( 8.055 -0.202 0.190) 8.060 8.641 ( -0.436 2.614 0.519) 2.701 8.948 ( 0.537 -1.069 1.585) 1.985 11.846 ( 0.735 -0.035 -0.423) 0.849 11.865 ( -0.106 0.077 -0.423) 0.442 12.637 ( -11.894 -3.530 -0.062) 12.407 30.699 ( 1.583 0.444 -0.017) 1.644 32.159 ( 1.264 0.523 0.078) 1.370 32.286 ( -0.322 -0.208 -0.198) 0.431 32.600 ( 0.687 0.228 -0.009) 0.724 32.708 ( -0.565 -0.234 -0.195) 0.642 32.915 ( 1.899 0.492 0.144) 1.967 36.667 ( 0.258 0.353 0.149) 0.462 36.706 ( -0.164 -0.276 0.093) 0.335 36.773 ( 0.722 0.410 -0.133) 0.841 36.828 ( 0.267 -0.213 -0.010) 0.342 68.261 ( 0.500 0.102 0.062) 0.514 68.553 ( 0.193 0.037 0.030) 0.199 69.572 ( -0.283 -0.123 -0.034) 0.311 69.996 ( -5.844 -1.402 -1.172) 6.123 70.585 ( 2.315 0.448 1.211) 2.651 70.847 ( -0.270 0.065 -0.024) 0.278 71.113 ( -1.144 -0.438 -0.911) 1.526 72.342 ( 4.069 1.168 0.569) 4.272 ======================= Grid point 493 (102/112) ======================= q-point: (-0.25 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -6.906 -4.760 10.029) 13.074 1.810 ( -19.404 -0.827 4.240) 19.879 2.348 ( -2.478 -1.612 -14.153) 14.459 2.476 ( -12.774 0.980 -3.278) 13.224 3.339 ( -31.542 -6.957 5.840) 32.824 3.929 ( -16.045 -3.800 -3.447) 16.845 5.396 ( 15.547 2.732 2.690) 16.013 5.960 ( -0.870 3.984 -1.442) 4.325 6.268 ( -2.480 -4.808 2.134) 5.816 6.566 ( -8.065 7.232 4.434) 11.705 7.177 ( -2.873 -7.277 -7.120) 10.578 7.893 ( -8.463 -1.249 0.086) 8.555 8.601 ( 2.358 -0.292 -0.068) 2.377 8.660 ( -0.181 0.901 0.074) 0.922 9.029 ( 8.937 1.005 2.888) 9.446 11.855 ( 0.381 -0.118 -0.472) 0.617 11.864 ( -0.108 0.052 -0.378) 0.396 12.381 ( -12.424 -2.439 -0.059) 12.662 30.736 ( 2.039 0.386 0.023) 2.076 32.188 ( 1.361 0.342 0.068) 1.405 32.275 ( -0.677 -0.180 -0.266) 0.749 32.614 ( 0.689 0.161 -0.024) 0.708 32.691 ( -1.018 -0.250 -0.273) 1.083 32.959 ( 2.337 0.432 0.191) 2.385 36.676 ( 0.306 0.238 0.106) 0.402 36.700 ( -0.221 -0.151 0.032) 0.270 36.791 ( 0.810 0.229 -0.101) 0.848 36.829 ( 0.021 -0.142 0.011) 0.144 68.276 ( 1.018 0.209 0.094) 1.044 68.557 ( 0.184 0.035 0.018) 0.188 69.565 ( -0.324 -0.072 -0.011) 0.332 69.861 ( -7.314 -1.405 -1.215) 7.547 70.642 ( 3.319 0.630 1.177) 3.577 70.843 ( -0.231 0.003 -0.008) 0.231 71.079 ( -2.127 -0.471 -0.939) 2.372 72.436 ( 4.955 0.971 0.708) 5.099 ======================= Grid point 498 (103/112) ======================= q-point: ( 0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -0.298 8.465 7.314) 11.191 2.156 ( 8.739 17.115 3.745) 19.579 2.375 ( 1.379 0.833 -14.101) 14.192 2.758 ( 9.027 13.688 -3.024) 16.673 3.828 ( 13.225 19.531 3.455) 23.839 4.172 ( 6.099 10.621 0.010) 12.247 5.160 ( -5.258 -10.258 0.508) 11.539 6.016 ( -0.132 4.161 0.176) 4.166 6.308 ( 4.152 0.975 -1.093) 4.403 6.759 ( 6.911 2.232 1.588) 7.434 7.121 ( -4.867 2.395 -2.980) 6.189 8.042 ( 4.151 7.115 0.342) 8.244 8.502 ( -4.244 -6.955 0.371) 8.156 8.675 ( 0.589 0.466 0.211) 0.780 8.930 ( -1.320 -1.331 2.540) 3.157 11.844 ( -0.402 -0.606 -0.474) 0.868 11.865 ( -0.029 0.117 -0.171) 0.209 12.599 ( 6.283 10.927 -0.031) 12.604 30.703 ( -0.865 -1.495 -0.009) 1.727 32.165 ( -0.635 -1.144 0.041) 1.309 32.284 ( 0.172 0.305 -0.199) 0.402 32.602 ( -0.360 -0.638 -0.021) 0.733 32.705 ( 0.301 0.572 -0.174) 0.670 32.921 ( -1.047 -1.803 0.162) 2.091 36.672 ( -0.069 -0.221 0.052) 0.238 36.703 ( 0.087 0.083 0.046) 0.129 36.778 ( -0.370 -0.596 -0.098) 0.708 36.824 ( -0.216 -0.263 0.082) 0.350 68.263 ( -0.286 -0.548 0.026) 0.618 68.553 ( -0.097 -0.189 0.014) 0.213 69.571 ( 0.142 0.248 -0.068) 0.294 69.980 ( 3.158 5.699 -0.956) 6.586 70.591 ( -1.248 -2.375 1.031) 2.874 70.848 ( 0.153 0.287 -0.015) 0.326 71.107 ( 0.610 1.141 -0.844) 1.545 72.354 ( -2.185 -3.840 0.551) 4.453 ======================= Grid point 499 (104/112) ======================= q-point: ( 0.25 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -0.086 9.277 4.280) 10.217 2.416 ( 3.397 -0.291 -10.728) 11.257 2.466 ( 4.983 17.014 3.367) 18.046 3.047 ( 5.670 14.787 -3.405) 16.198 4.138 ( 7.050 1.883 1.155) 7.388 4.366 ( 7.068 4.900 1.794) 8.786 5.029 ( -0.481 -3.966 -1.118) 4.149 6.035 ( -4.729 8.579 0.850) 9.832 6.414 ( 6.290 -0.604 -1.835) 6.580 6.835 ( -1.231 3.144 -3.472) 4.843 7.099 ( 1.743 -0.506 2.343) 2.963 8.174 ( 3.455 4.242 0.901) 5.545 8.346 ( -3.760 -6.828 1.024) 7.861 8.687 ( -0.815 2.080 0.078) 2.235 8.935 ( 1.608 0.295 1.684) 2.347 11.830 ( -0.406 -0.728 -0.445) 0.945 11.865 ( -0.072 0.104 -0.033) 0.131 12.814 ( 6.059 8.112 -0.012) 10.125 30.676 ( -0.721 -1.005 -0.025) 1.237 32.143 ( -0.683 -0.705 0.025) 0.982 32.288 ( 0.121 -0.018 -0.120) 0.172 32.589 ( -0.380 -0.508 -0.011) 0.634 32.713 ( 0.209 0.226 -0.083) 0.319 32.887 ( -0.860 -1.272 0.120) 1.540 36.668 ( -0.263 0.025 0.041) 0.267 36.706 ( 0.258 -0.147 0.062) 0.304 36.766 ( -0.468 -0.223 -0.120) 0.532 36.817 ( -0.122 -0.560 0.121) 0.586 68.255 ( -0.130 -0.296 0.006) 0.323 68.549 ( -0.090 -0.181 0.014) 0.203 69.575 ( 0.146 0.120 -0.142) 0.236 70.085 ( 2.513 4.354 -0.616) 5.065 70.550 ( -0.814 -1.894 0.820) 2.219 70.854 ( 0.091 0.375 -0.033) 0.387 71.125 ( 0.396 0.467 -0.745) 0.965 72.283 ( -1.881 -2.649 0.356) 3.268 ======================= Grid point 500 (105/112) ======================= q-point: ( 0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -0.264 9.187 -0.583) 9.209 2.461 ( 2.405 -1.452 -6.980) 7.524 2.695 ( 0.941 15.709 3.351) 16.090 3.239 ( -1.087 13.158 -3.444) 13.644 4.166 ( 1.360 -5.780 1.938) 6.246 4.510 ( 6.335 -1.720 -1.003) 6.640 5.036 ( 3.560 -2.788 -0.199) 4.526 6.036 ( -6.028 10.455 0.435) 12.076 6.488 ( 2.313 -0.732 -0.882) 2.582 6.832 ( -2.013 3.416 -2.536) 4.707 7.142 ( 2.859 -0.788 1.604) 3.372 8.202 ( -0.420 -4.110 2.450) 4.804 8.293 ( 1.470 0.861 -0.236) 1.720 8.690 ( -1.833 3.182 0.059) 3.673 8.972 ( 2.292 -0.701 1.185) 2.674 11.817 ( -0.176 -0.623 -0.429) 0.777 11.865 ( -0.035 0.063 -0.009) 0.072 12.969 ( 3.546 4.473 -0.008) 5.708 30.658 ( -0.373 -0.559 -0.025) 0.672 32.128 ( -0.506 -0.193 0.026) 0.542 32.289 ( 0.120 -0.215 -0.070) 0.256 32.579 ( -0.225 -0.314 0.000) 0.386 32.718 ( 0.127 0.026 -0.036) 0.135 32.865 ( -0.401 -0.777 0.092) 0.879 36.664 ( -0.329 0.243 0.063) 0.414 36.709 ( 0.313 -0.319 0.117) 0.462 36.757 ( -0.435 0.149 -0.152) 0.484 36.810 ( 0.134 -0.713 0.087) 0.731 68.251 ( -0.001 -0.194 0.016) 0.195 68.547 ( -0.037 -0.147 0.023) 0.153 69.578 ( 0.120 -0.010 -0.201) 0.234 70.157 ( 0.956 3.216 -0.425) 3.382 70.523 ( -0.088 -1.728 0.714) 1.872 70.858 ( -0.045 0.411 -0.054) 0.417 71.133 ( 0.229 0.079 -0.705) 0.746 72.235 ( -0.995 -1.473 0.236) 1.793 ======================= Grid point 501 (106/112) ======================= q-point: ( 0.42 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -0.776 7.777 -6.990) 10.486 2.454 ( -0.660 -3.372 -2.148) 4.052 2.808 ( -5.309 12.440 1.289) 13.586 3.282 ( -7.061 10.202 -2.386) 12.634 4.136 ( 1.891 -4.554 2.717) 5.630 4.557 ( 3.421 -5.827 -1.982) 7.042 5.056 ( 2.614 -4.965 0.669) 5.651 6.039 ( -5.975 11.082 -0.183) 12.591 6.493 ( -0.265 -0.822 0.273) 0.906 6.825 ( -2.756 2.607 0.057) 3.794 7.176 ( 1.916 -0.934 -0.859) 2.298 8.174 ( 2.098 -3.173 1.884) 4.245 8.316 ( 0.022 -0.131 0.048) 0.141 8.689 ( -2.130 3.538 0.162) 4.133 8.991 ( 1.185 -1.883 0.928) 2.411 11.812 ( 0.256 -0.391 -0.459) 0.655 11.866 ( 0.014 0.035 -0.051) 0.063 13.026 ( -0.677 1.185 -0.016) 1.365 30.651 ( 0.112 -0.195 -0.022) 0.226 32.122 ( -0.122 0.197 0.037) 0.235 32.288 ( 0.157 -0.266 -0.058) 0.314 32.575 ( 0.061 -0.109 0.007) 0.125 32.719 ( 0.049 -0.070 -0.031) 0.091 32.857 ( 0.206 -0.356 0.082) 0.419 36.662 ( -0.241 0.389 0.093) 0.467 36.710 ( 0.219 -0.419 0.176) 0.504 36.754 ( -0.228 0.390 -0.161) 0.479 36.807 ( 0.430 -0.672 0.010) 0.797 68.250 ( 0.080 -0.148 0.028) 0.171 68.545 ( 0.048 -0.093 0.034) 0.110 69.579 ( 0.054 -0.094 -0.223) 0.248 70.183 ( -1.086 2.041 -0.482) 2.361 70.512 ( 0.733 -1.431 0.800) 1.796 70.860 ( -0.206 0.362 -0.066) 0.422 71.135 ( 0.087 -0.108 -0.725) 0.738 72.218 ( 0.272 -0.500 0.218) 0.609 ======================= Grid point 503 (107/112) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -3.184 3.058 -10.516) 11.405 2.382 ( -2.526 -2.892 0.260) 3.848 2.748 ( -12.449 6.983 -1.280) 14.331 3.210 ( -11.482 7.734 -1.106) 13.888 4.140 ( 2.599 -3.360 4.347) 6.078 4.515 ( -1.025 -6.468 -1.501) 6.718 5.027 ( -0.027 -4.129 0.676) 4.184 6.051 ( -5.328 10.768 -1.059) 12.060 6.462 ( -1.535 -2.775 1.403) 3.468 6.789 ( -4.325 3.952 1.503) 6.049 7.189 ( 1.716 -3.187 -2.694) 4.512 8.209 ( 3.832 -1.857 1.851) 4.644 8.292 ( -1.264 -0.839 -0.236) 1.536 8.687 ( -1.956 3.164 0.313) 3.733 8.975 ( -0.373 -2.353 0.895) 2.545 11.818 ( 0.667 -0.182 -0.504) 0.856 11.866 ( 0.024 0.028 -0.108) 0.114 12.970 ( -5.634 -0.841 -0.028) 5.697 30.658 ( 0.670 0.044 -0.024) 0.672 32.127 ( 0.406 0.348 0.049) 0.537 32.289 ( 0.131 -0.214 -0.079) 0.263 32.579 ( 0.380 0.040 0.006) 0.382 32.718 ( -0.071 -0.104 -0.059) 0.140 32.865 ( 0.875 -0.042 0.088) 0.881 36.664 ( -0.078 0.424 0.110) 0.445 36.708 ( 0.085 -0.411 0.181) 0.457 36.757 ( 0.105 0.437 -0.150) 0.474 36.811 ( 0.597 -0.495 -0.021) 0.776 68.251 ( 0.156 -0.091 0.034) 0.184 68.546 ( 0.137 -0.036 0.039) 0.147 69.578 ( -0.050 -0.109 -0.201) 0.234 70.159 ( -3.158 0.714 -0.665) 3.305 70.521 ( 1.435 -0.721 0.953) 1.868 70.858 ( -0.327 0.240 -0.063) 0.410 71.133 ( -0.146 -0.180 -0.770) 0.804 72.235 ( 1.750 0.139 0.280) 1.777 ======================= Grid point 504 (108/112) ======================= q-point: (-0.42 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -7.385 -4.046 -3.077) 8.965 2.339 ( -2.614 2.354 -4.579) 5.774 2.525 ( -15.357 0.329 -2.564) 15.573 3.026 ( -15.622 4.302 -1.704) 16.293 4.103 ( -5.967 -2.147 4.488) 7.769 4.378 ( -7.576 -4.717 0.657) 8.949 5.018 ( 3.452 -0.544 -0.152) 3.498 6.062 ( -4.552 7.319 -1.569) 8.760 6.377 ( -3.335 -3.938 1.449) 5.360 6.772 ( -3.857 6.642 2.454) 8.064 7.168 ( 1.422 -6.079 -3.917) 7.370 8.173 ( -5.486 -0.832 0.919) 5.625 8.352 ( 7.892 -0.671 0.460) 7.934 8.683 ( -1.462 1.981 0.400) 2.494 8.939 ( -0.895 -1.592 1.272) 2.226 11.830 ( 0.843 -0.083 -0.513) 0.991 11.867 ( -0.020 0.003 -0.148) 0.149 12.814 ( -10.046 -1.216 -0.037) 10.119 30.676 ( 1.232 0.122 -0.025) 1.238 32.143 ( 0.944 0.265 0.052) 0.982 32.288 ( -0.045 -0.122 -0.128) 0.182 32.589 ( 0.626 0.082 -0.004) 0.632 32.714 ( -0.291 -0.096 -0.112) 0.326 32.887 ( 1.534 0.104 0.115) 1.542 36.668 ( 0.088 0.298 0.097) 0.326 36.705 ( -0.012 -0.236 0.125) 0.267 36.766 ( 0.445 0.273 -0.134) 0.538 36.818 ( 0.556 -0.267 0.023) 0.617 68.255 ( 0.309 -0.011 0.032) 0.311 68.549 ( 0.198 0.003 0.030) 0.201 69.575 ( -0.177 -0.067 -0.142) 0.237 70.087 ( -5.005 -0.197 -0.824) 5.076 70.548 ( 2.029 -0.046 1.021) 2.272 70.854 ( -0.365 0.096 -0.045) 0.380 71.125 ( -0.590 -0.175 -0.810) 1.017 72.283 ( 3.226 0.347 0.400) 3.269 ======================= Grid point 512 (109/112) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.514 8.672 -3.058) 9.210 2.381 ( 2.600 -1.734 -6.028) 6.790 2.810 ( 5.949 14.156 2.856) 15.619 3.319 ( 7.364 10.525 -3.543) 13.325 4.105 ( -0.909 -3.056 2.004) 3.765 4.434 ( 0.625 1.395 0.044) 1.529 4.985 ( -0.253 -0.922 -0.012) 0.956 6.190 ( 1.684 5.206 -0.338) 5.482 6.413 ( 2.297 0.903 0.025) 2.468 6.870 ( 2.407 0.650 -0.170) 2.499 7.119 ( -1.109 2.039 -0.592) 2.395 8.186 ( -2.249 -3.486 2.249) 4.719 8.282 ( 0.768 1.291 -0.477) 1.576 8.728 ( 1.169 1.766 0.198) 2.127 8.942 ( 0.085 0.417 1.167) 1.242 11.815 ( -0.383 -0.612 -0.572) 0.922 11.866 ( -0.039 -0.006 0.052) 0.065 12.960 ( 3.247 5.636 -0.021) 6.504 30.658 ( -0.387 -0.671 -0.023) 0.775 32.132 ( -0.233 -0.418 0.033) 0.480 32.286 ( -0.075 -0.124 -0.067) 0.160 32.580 ( -0.222 -0.389 0.007) 0.448 32.716 ( 0.042 0.088 -0.061) 0.115 32.864 ( -0.506 -0.874 0.096) 1.014 36.669 ( 0.049 0.056 0.066) 0.100 36.703 ( -0.040 -0.110 0.174) 0.209 36.763 ( -0.029 -0.063 -0.156) 0.171 36.804 ( -0.390 -0.595 0.031) 0.712 68.250 ( -0.087 -0.162 0.027) 0.186 68.546 ( -0.076 -0.142 0.035) 0.165 69.577 ( 0.030 0.053 -0.265) 0.272 70.167 ( 1.836 3.334 -0.456) 3.833 70.513 ( -0.842 -1.614 0.797) 1.987 70.861 ( 0.181 0.319 -0.078) 0.375 71.131 ( 0.082 0.184 -0.724) 0.751 72.236 ( -1.005 -1.769 0.268) 2.053 ======================= Grid point 513 (110/112) ======================= q-point: ( 0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -0.999 8.692 -4.954) 10.054 2.392 ( 1.942 -4.396 -4.185) 6.372 2.999 ( -0.392 11.504 5.836) 12.906 3.478 ( -1.456 9.107 -6.210) 11.118 4.064 ( 0.783 -3.430 1.136) 3.697 4.441 ( 2.158 -4.136 -0.641) 4.709 4.973 ( 1.196 -2.918 0.507) 3.194 6.237 ( -3.585 8.230 -0.004) 8.977 6.454 ( 2.373 -2.333 -0.209) 3.335 6.888 ( -0.987 1.738 -0.325) 2.025 7.147 ( 1.153 1.025 0.149) 1.550 8.124 ( -0.191 -2.835 1.848) 3.390 8.310 ( 0.601 0.461 -0.181) 0.779 8.756 ( -0.900 2.895 0.201) 3.038 8.949 ( 1.053 -1.357 1.060) 2.019 11.806 ( -0.048 -0.403 -0.613) 0.736 11.866 ( -0.012 -0.009 0.132) 0.133 13.040 ( 0.976 2.308 -0.018) 2.506 30.649 ( -0.098 -0.299 -0.017) 0.315 32.126 ( -0.151 -0.001 0.029) 0.154 32.284 ( 0.039 -0.207 -0.036) 0.214 32.574 ( -0.064 -0.182 0.016) 0.193 32.717 ( 0.036 -0.022 -0.044) 0.061 32.852 ( -0.102 -0.442 0.088) 0.462 36.670 ( -0.154 0.299 0.061) 0.342 36.702 ( 0.153 -0.314 0.226) 0.416 36.763 ( -0.200 0.390 -0.164) 0.468 36.794 ( 0.116 -0.765 -0.005) 0.774 68.248 ( 0.007 -0.116 0.033) 0.121 68.544 ( -0.009 -0.092 0.043) 0.103 69.578 ( 0.035 -0.033 -0.344) 0.347 70.216 ( 0.210 2.305 -0.258) 2.329 70.488 ( 0.017 -1.474 0.679) 1.623 70.866 ( -0.020 0.288 -0.104) 0.307 71.133 ( 0.061 -0.023 -0.688) 0.691 72.211 ( -0.262 -0.777 0.211) 0.847 ======================= Grid point 514 (111/112) ======================= q-point: (-0.58 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -4.404 4.027 -7.690) 9.734 2.368 ( 0.687 -2.976 -1.720) 3.505 3.013 ( -8.388 5.313 4.837) 11.045 3.468 ( -8.074 6.309 -5.518) 11.638 4.062 ( 2.226 -2.163 1.256) 3.348 4.440 ( 2.509 -3.942 -0.594) 4.711 4.972 ( 1.816 -2.432 0.579) 3.090 6.243 ( -4.809 7.179 -0.561) 8.659 6.446 ( 0.049 -3.042 0.551) 3.092 6.881 ( -1.883 2.142 0.339) 2.873 7.155 ( -0.452 -0.974 -0.616) 1.238 8.125 ( 2.707 -1.342 1.725) 3.479 8.310 ( -0.734 -0.270 -0.156) 0.798 8.755 ( -2.135 2.261 0.269) 3.121 8.949 ( 0.727 -1.626 0.992) 2.039 11.806 ( 0.390 -0.170 -0.626) 0.757 11.866 ( 0.032 -0.005 0.119) 0.123 13.041 ( -2.483 0.306 -0.021) 2.502 30.649 ( 0.308 -0.064 -0.017) 0.315 32.126 ( 0.072 0.133 0.032) 0.154 32.284 ( 0.162 -0.138 -0.038) 0.216 32.574 ( 0.188 -0.035 0.017) 0.192 32.717 ( 0.006 -0.045 -0.048) 0.066 32.852 ( 0.435 -0.133 0.088) 0.463 36.670 ( -0.190 0.288 0.066) 0.352 36.701 ( 0.183 -0.282 0.237) 0.411 36.763 ( -0.244 0.370 -0.154) 0.469 36.794 ( 0.632 -0.497 -0.032) 0.805 68.248 ( 0.094 -0.063 0.035) 0.118 68.544 ( 0.081 -0.037 0.046) 0.100 69.578 ( 0.012 -0.047 -0.344) 0.347 70.217 ( -2.047 0.939 -0.305) 2.273 70.488 ( 1.214 -0.720 0.725) 1.587 70.866 ( -0.238 0.161 -0.105) 0.306 71.133 ( 0.003 -0.072 -0.698) 0.702 72.211 ( 0.796 -0.156 0.218) 0.839 ======================= Grid point 525 (112/112) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 0.00e+00 1.35e-03 1.35e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -0.000 -0.000 -8.472) 8.472 2.320 ( 0.000 0.000 -0.757) 0.757 3.122 ( -0.000 -0.000 8.615) 8.615 3.584 ( -0.000 -0.000 -10.138) 10.138 4.029 ( -0.000 -0.000 1.354) 1.354 4.387 ( -0.000 -0.000 -0.062) 0.062 4.938 ( -0.000 -0.000 0.620) 0.620 6.346 ( -0.000 -0.000 -0.537) 0.537 6.408 ( -0.000 0.000 0.400) 0.400 6.906 ( -0.000 -0.000 0.106) 0.106 7.162 ( -0.000 -0.000 0.036) 0.036 8.093 ( -0.000 -0.000 1.653) 1.653 8.314 ( -0.000 -0.000 -0.198) 0.198 8.792 ( -0.000 -0.000 0.207) 0.207 8.929 ( -0.000 -0.000 1.084) 1.084 11.801 ( -0.000 -0.000 -0.676) 0.676 11.865 ( -0.000 -0.000 0.193) 0.193 13.064 ( -0.000 -0.000 -0.021) 0.021 30.645 ( -0.000 -0.000 -0.013) 0.013 32.126 ( -0.000 -0.000 0.028) 0.028 32.281 ( -0.000 -0.000 -0.023) 0.023 32.572 ( -0.000 -0.000 0.023) 0.023 32.717 ( -0.000 -0.000 -0.049) 0.049 32.847 ( -0.000 -0.000 0.089) 0.089 36.674 ( -0.000 -0.000 0.034) 0.034 36.698 ( -0.000 -0.000 0.281) 0.281 36.770 ( -0.000 -0.000 -0.151) 0.151 36.783 ( -0.000 -0.000 -0.048) 0.048 68.247 ( -0.000 -0.000 0.037) 0.037 68.543 ( -0.000 -0.000 0.050) 0.050 69.577 ( -0.000 -0.000 -0.401) 0.401 70.242 ( -0.000 -0.000 -0.159) 0.159 70.471 ( -0.000 -0.000 0.631) 0.631 70.869 ( -0.000 -0.000 -0.124) 0.124 71.133 ( -0.000 -0.000 -0.675) 0.675 72.203 ( -0.000 -0.000 0.201) 0.201 =================== 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 3/36288 10.0 146.651 146.651 119.649 -0.000 0.000 0.000 3/36288 20.0 69.500 69.500 45.106 -0.000 -0.000 0.000 3/36288 30.0 37.165 37.165 23.098 -0.000 -0.000 0.000 3/36288 40.0 22.970 22.970 14.453 -0.000 -0.000 0.000 3/36288 50.0 15.675 15.675 10.004 -0.000 -0.000 0.000 3/36288 60.0 11.485 11.485 7.407 -0.000 -0.000 0.000 3/36288 70.0 8.883 8.883 5.771 -0.000 -0.000 0.000 3/36288 80.0 7.163 7.163 4.680 -0.000 -0.000 0.000 3/36288 90.0 5.968 5.968 3.916 -0.000 -0.000 0.000 3/36288 100.0 5.100 5.100 3.358 -0.000 -0.000 0.000 3/36288 110.0 4.447 4.447 2.936 -0.000 -0.000 0.000 3/36288 120.0 3.940 3.940 2.608 -0.000 -0.000 0.000 3/36288 130.0 3.538 3.538 2.347 -0.000 -0.000 0.000 3/36288 140.0 3.210 3.210 2.134 -0.000 -0.000 0.000 3/36288 150.0 2.940 2.940 1.957 -0.000 -0.000 0.000 3/36288 160.0 2.712 2.712 1.808 -0.000 -0.000 0.000 3/36288 170.0 2.518 2.518 1.680 -0.000 -0.000 0.000 3/36288 180.0 2.351 2.351 1.570 -0.000 -0.000 0.000 3/36288 190.0 2.205 2.205 1.474 -0.000 -0.000 0.000 3/36288 200.0 2.077 2.077 1.389 -0.000 -0.000 0.000 3/36288 210.0 1.963 1.963 1.314 -0.000 -0.000 0.000 3/36288 220.0 1.861 1.861 1.247 -0.000 -0.000 0.000 3/36288 230.0 1.770 1.770 1.187 -0.000 -0.000 0.000 3/36288 240.0 1.688 1.688 1.132 -0.000 -0.000 0.000 3/36288 250.0 1.613 1.613 1.082 -0.000 -0.000 0.000 3/36288 260.0 1.545 1.545 1.037 -0.000 -0.000 0.000 3/36288 270.0 1.482 1.482 0.995 -0.000 -0.000 0.000 3/36288 280.0 1.425 1.425 0.957 -0.000 -0.000 0.000 3/36288 290.0 1.372 1.372 0.922 -0.000 -0.000 0.000 3/36288 300.0 1.323 1.323 0.889 -0.000 -0.000 0.000 3/36288 310.0 1.277 1.277 0.858 -0.000 -0.000 0.000 3/36288 320.0 1.234 1.234 0.830 -0.000 -0.000 0.000 3/36288 330.0 1.195 1.195 0.803 -0.000 -0.000 0.000 3/36288 340.0 1.157 1.157 0.779 -0.000 -0.000 0.000 3/36288 350.0 1.122 1.122 0.755 -0.000 -0.000 0.000 3/36288 360.0 1.090 1.090 0.733 -0.000 -0.000 0.000 3/36288 370.0 1.059 1.059 0.713 -0.000 -0.000 0.000 3/36288 380.0 1.030 1.030 0.693 -0.000 -0.000 0.000 3/36288 390.0 1.002 1.002 0.674 -0.000 -0.000 0.000 3/36288 400.0 0.976 0.976 0.657 -0.000 -0.000 0.000 3/36288 410.0 0.951 0.951 0.640 -0.000 -0.000 0.000 3/36288 420.0 0.928 0.928 0.625 -0.000 -0.000 0.000 3/36288 430.0 0.905 0.905 0.610 -0.000 -0.000 0.000 3/36288 440.0 0.884 0.884 0.595 -0.000 -0.000 0.000 3/36288 450.0 0.864 0.864 0.582 -0.000 -0.000 0.000 3/36288 460.0 0.844 0.844 0.569 -0.000 -0.000 0.000 3/36288 470.0 0.826 0.826 0.556 -0.000 -0.000 0.000 3/36288 480.0 0.808 0.808 0.544 -0.000 -0.000 0.000 3/36288 490.0 0.791 0.791 0.533 -0.000 -0.000 0.000 3/36288 500.0 0.775 0.775 0.522 -0.000 -0.000 0.000 3/36288 510.0 0.760 0.760 0.512 -0.000 -0.000 0.000 3/36288 520.0 0.745 0.745 0.502 -0.000 -0.000 0.000 3/36288 530.0 0.730 0.730 0.492 -0.000 -0.000 0.000 3/36288 540.0 0.717 0.717 0.483 -0.000 -0.000 0.000 3/36288 550.0 0.703 0.703 0.474 -0.000 -0.000 0.000 3/36288 560.0 0.691 0.691 0.465 -0.000 -0.000 0.000 3/36288 570.0 0.678 0.678 0.457 -0.000 -0.000 0.000 3/36288 580.0 0.666 0.666 0.449 -0.000 -0.000 0.000 3/36288 590.0 0.655 0.655 0.441 -0.000 -0.000 0.000 3/36288 600.0 0.644 0.644 0.434 -0.000 -0.000 0.000 3/36288 610.0 0.633 0.633 0.427 -0.000 -0.000 0.000 3/36288 620.0 0.623 0.623 0.420 -0.000 -0.000 0.000 3/36288 630.0 0.613 0.613 0.413 -0.000 -0.000 0.000 3/36288 640.0 0.603 0.603 0.406 -0.000 -0.000 0.000 3/36288 650.0 0.594 0.594 0.400 -0.000 -0.000 0.000 3/36288 660.0 0.585 0.585 0.394 -0.000 -0.000 0.000 3/36288 670.0 0.576 0.576 0.388 -0.000 -0.000 0.000 3/36288 680.0 0.567 0.567 0.382 -0.000 -0.000 0.000 3/36288 690.0 0.559 0.559 0.377 -0.000 -0.000 0.000 3/36288 700.0 0.551 0.551 0.371 -0.000 -0.000 0.000 3/36288 710.0 0.543 0.543 0.366 -0.000 -0.000 0.000 3/36288 720.0 0.536 0.536 0.361 -0.000 -0.000 0.000 3/36288 730.0 0.528 0.528 0.356 -0.000 -0.000 0.000 3/36288 740.0 0.521 0.521 0.351 -0.000 -0.000 0.000 3/36288 750.0 0.514 0.514 0.347 -0.000 -0.000 0.000 3/36288 760.0 0.507 0.507 0.342 -0.000 -0.000 0.000 3/36288 770.0 0.501 0.501 0.338 -0.000 -0.000 0.000 3/36288 780.0 0.494 0.494 0.333 -0.000 -0.000 0.000 3/36288 790.0 0.488 0.488 0.329 -0.000 -0.000 0.000 3/36288 800.0 0.482 0.482 0.325 -0.000 -0.000 0.000 3/36288 810.0 0.476 0.476 0.321 -0.000 -0.000 0.000 3/36288 820.0 0.470 0.470 0.317 -0.000 -0.000 0.000 3/36288 830.0 0.465 0.465 0.313 -0.000 -0.000 0.000 3/36288 840.0 0.459 0.459 0.309 -0.000 -0.000 0.000 3/36288 850.0 0.454 0.454 0.306 -0.000 -0.000 0.000 3/36288 860.0 0.448 0.448 0.302 -0.000 -0.000 0.000 3/36288 870.0 0.443 0.443 0.299 -0.000 -0.000 0.000 3/36288 880.0 0.438 0.438 0.295 -0.000 -0.000 0.000 3/36288 890.0 0.433 0.433 0.292 -0.000 -0.000 0.000 3/36288 900.0 0.428 0.428 0.289 -0.000 -0.000 0.000 3/36288 910.0 0.424 0.424 0.286 -0.000 -0.000 0.000 3/36288 920.0 0.419 0.419 0.283 -0.000 -0.000 0.000 3/36288 930.0 0.415 0.415 0.279 -0.000 -0.000 0.000 3/36288 940.0 0.410 0.410 0.277 -0.000 -0.000 0.000 3/36288 950.0 0.406 0.406 0.274 -0.000 -0.000 0.000 3/36288 960.0 0.402 0.402 0.271 -0.000 -0.000 0.000 3/36288 970.0 0.398 0.398 0.268 -0.000 -0.000 0.000 3/36288 980.0 0.394 0.394 0.265 -0.000 -0.000 0.000 3/36288 990.0 0.390 0.390 0.263 -0.000 -0.000 0.000 3/36288 1000.0 0.386 0.386 0.260 -0.000 -0.000 0.000 3/36288 Thermal conductivity related properties were written into "kappa-m12127.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:26:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|