----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:34:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.751142384188492 0.000000000000000 0.000000000000000 b 0.000000000000000 5.958150640000001 0.000000000000000 c -2.052619931427659 0.000000000000000 6.840463365338815 Atomic positions (fractional): *1 O 0.33403705024246 0.45447679370999 0.20239168041725 15.999 2 O 0.66596294975754 0.95447679370999 0.79760831958275 15.999 3 O 0.66596294975754 0.54552320629001 0.79760831958275 15.999 4 O 0.33403705024246 0.04552320629001 0.20239168041725 15.999 *5 F 0.20662147921879 0.75000000000000 0.62282655511330 18.998 6 F 0.79337852078121 0.25000000000000 0.37717344488670 18.998 *7 S 0.40041312903184 0.25000000000000 0.32393421530411 32.065 8 S 0.59958687096816 0.75000000000000 0.67606578469589 32.065 *9 Rb 0.16102244963344 0.25000000000000 0.78823683245983 85.468 10 Rb 0.83897755036656 0.75000000000000 0.21176316754017 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.751142384188492 0.000000000000000 0.000000000000000 b 0.000000000000000 5.958150640000001 0.000000000000000 c -2.052619931427659 0.000000000000000 6.840463365338815 Atomic positions (fractional): *1 O 0.33403705024246 0.45447679370999 0.20239168041725 15.999 > 1 2 O 0.66596294975754 0.95447679370999 0.79760831958275 15.999 > 2 3 O 0.66596294975754 0.54552320629001 0.79760831958275 15.999 > 3 4 O 0.33403705024246 0.04552320629001 0.20239168041725 15.999 > 4 *5 F 0.20662147921879 0.75000000000000 0.62282655511330 18.998 > 5 6 F 0.79337852078121 0.25000000000000 0.37717344488670 18.998 > 6 *7 S 0.40041312903184 0.25000000000000 0.32393421530411 32.065 > 7 8 S 0.59958687096816 0.75000000000000 0.67606578469589 32.065 > 8 *9 Rb 0.16102244963344 0.25000000000000 0.78823683245983 85.468 > 9 10 Rb 0.83897755036656 0.75000000000000 0.21176316754017 85.468 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.253427152565477 0.000000000000000 0.000000000000000 b 0.000000000000000 11.916301280000003 0.000000000000000 c -4.105239862855318 0.000000000000000 13.680926730677630 Atomic positions (fractional): *1 O 0.11134568341415 0.22723839685500 0.10119584020863 15.999 > 1 2 O 0.44467901674749 0.22723839685500 0.10119584020863 15.999 > 1 3 O 0.77801235008082 0.22723839685500 0.10119584020863 15.999 > 1 4 O 0.11134568341415 0.72723839685500 0.10119584020863 15.999 > 1 5 O 0.44467901674749 0.72723839685500 0.10119584020863 15.999 > 1 6 O 0.77801235008082 0.72723839685500 0.10119584020863 15.999 > 1 7 O 0.11134568341415 0.22723839685500 0.60119584020863 15.999 > 1 8 O 0.44467901674749 0.22723839685500 0.60119584020863 15.999 > 1 9 O 0.77801235008082 0.22723839685500 0.60119584020863 15.999 > 1 10 O 0.11134568341415 0.72723839685500 0.60119584020863 15.999 > 1 11 O 0.44467901674749 0.72723839685500 0.60119584020863 15.999 > 1 12 O 0.77801235008082 0.72723839685500 0.60119584020863 15.999 > 1 13 O 0.22198764991918 0.47723839685500 0.39880415979137 15.999 > 2 14 O 0.55532098325251 0.47723839685500 0.39880415979137 15.999 > 2 15 O 0.88865431658585 0.47723839685500 0.39880415979137 15.999 > 2 16 O 0.22198764991918 0.97723839685500 0.39880415979137 15.999 > 2 17 O 0.55532098325251 0.97723839685500 0.39880415979137 15.999 > 2 18 O 0.88865431658585 0.97723839685500 0.39880415979137 15.999 > 2 19 O 0.22198764991918 0.47723839685500 0.89880415979137 15.999 > 2 20 O 0.55532098325251 0.47723839685500 0.89880415979137 15.999 > 2 21 O 0.88865431658585 0.47723839685500 0.89880415979137 15.999 > 2 22 O 0.22198764991918 0.97723839685500 0.89880415979137 15.999 > 2 23 O 0.55532098325251 0.97723839685500 0.89880415979137 15.999 > 2 24 O 0.88865431658585 0.97723839685500 0.89880415979137 15.999 > 2 25 O 0.22198764991918 0.27276160314500 0.39880415979137 15.999 > 3 26 O 0.55532098325251 0.27276160314500 0.39880415979137 15.999 > 3 27 O 0.88865431658585 0.27276160314500 0.39880415979137 15.999 > 3 28 O 0.22198764991918 0.77276160314500 0.39880415979137 15.999 > 3 29 O 0.55532098325251 0.77276160314500 0.39880415979137 15.999 > 3 30 O 0.88865431658585 0.77276160314500 0.39880415979137 15.999 > 3 31 O 0.22198764991918 0.27276160314500 0.89880415979137 15.999 > 3 32 O 0.55532098325251 0.27276160314500 0.89880415979137 15.999 > 3 33 O 0.88865431658585 0.27276160314500 0.89880415979137 15.999 > 3 34 O 0.22198764991918 0.77276160314500 0.89880415979137 15.999 > 3 35 O 0.55532098325251 0.77276160314500 0.89880415979137 15.999 > 3 36 O 0.88865431658585 0.77276160314500 0.89880415979137 15.999 > 3 37 O 0.11134568341415 0.02276160314500 0.10119584020863 15.999 > 4 38 O 0.44467901674749 0.02276160314500 0.10119584020863 15.999 > 4 39 O 0.77801235008082 0.02276160314500 0.10119584020863 15.999 > 4 40 O 0.11134568341415 0.52276160314500 0.10119584020863 15.999 > 4 41 O 0.44467901674749 0.52276160314500 0.10119584020863 15.999 > 4 42 O 0.77801235008082 0.52276160314500 0.10119584020863 15.999 > 4 43 O 0.11134568341415 0.02276160314500 0.60119584020863 15.999 > 4 44 O 0.44467901674749 0.02276160314500 0.60119584020863 15.999 > 4 45 O 0.77801235008082 0.02276160314500 0.60119584020863 15.999 > 4 46 O 0.11134568341415 0.52276160314500 0.60119584020863 15.999 > 4 47 O 0.44467901674749 0.52276160314500 0.60119584020863 15.999 > 4 48 O 0.77801235008082 0.52276160314500 0.60119584020863 15.999 > 4 *49 F 0.06887382640626 0.37500000000000 0.31141327755665 18.998 > 5 50 F 0.40220715973960 0.37500000000000 0.31141327755665 18.998 > 5 51 F 0.73554049307293 0.37500000000000 0.31141327755665 18.998 > 5 52 F 0.06887382640626 0.87500000000000 0.31141327755665 18.998 > 5 53 F 0.40220715973960 0.87500000000000 0.31141327755665 18.998 > 5 54 F 0.73554049307293 0.87500000000000 0.31141327755665 18.998 > 5 55 F 0.06887382640626 0.37500000000000 0.81141327755665 18.998 > 5 56 F 0.40220715973960 0.37500000000000 0.81141327755665 18.998 > 5 57 F 0.73554049307293 0.37500000000000 0.81141327755665 18.998 > 5 58 F 0.06887382640626 0.87500000000000 0.81141327755665 18.998 > 5 59 F 0.40220715973960 0.87500000000000 0.81141327755665 18.998 > 5 60 F 0.73554049307293 0.87500000000000 0.81141327755665 18.998 > 5 61 F 0.26445950692707 0.12500000000000 0.18858672244335 18.998 > 6 62 F 0.59779284026040 0.12500000000000 0.18858672244335 18.998 > 6 63 F 0.93112617359374 0.12500000000000 0.18858672244335 18.998 > 6 64 F 0.26445950692707 0.62500000000000 0.18858672244335 18.998 > 6 65 F 0.59779284026040 0.62500000000000 0.18858672244335 18.998 > 6 66 F 0.93112617359374 0.62500000000000 0.18858672244335 18.998 > 6 67 F 0.26445950692707 0.12500000000000 0.68858672244335 18.998 > 6 68 F 0.59779284026040 0.12500000000000 0.68858672244335 18.998 > 6 69 F 0.93112617359374 0.12500000000000 0.68858672244335 18.998 > 6 70 F 0.26445950692707 0.62500000000000 0.68858672244335 18.998 > 6 71 F 0.59779284026040 0.62500000000000 0.68858672244335 18.998 > 6 72 F 0.93112617359374 0.62500000000000 0.68858672244335 18.998 > 6 *73 S 0.13347104301061 0.12500000000000 0.16196710765206 32.065 > 7 74 S 0.46680437634395 0.12500000000000 0.16196710765206 32.065 > 7 75 S 0.80013770967728 0.12500000000000 0.16196710765206 32.065 > 7 76 S 0.13347104301061 0.62500000000000 0.16196710765206 32.065 > 7 77 S 0.46680437634395 0.62500000000000 0.16196710765206 32.065 > 7 78 S 0.80013770967728 0.62500000000000 0.16196710765206 32.065 > 7 79 S 0.13347104301061 0.12500000000000 0.66196710765206 32.065 > 7 80 S 0.46680437634395 0.12500000000000 0.66196710765206 32.065 > 7 81 S 0.80013770967728 0.12500000000000 0.66196710765206 32.065 > 7 82 S 0.13347104301061 0.62500000000000 0.66196710765206 32.065 > 7 83 S 0.46680437634395 0.62500000000000 0.66196710765206 32.065 > 7 84 S 0.80013770967728 0.62500000000000 0.66196710765206 32.065 > 7 85 S 0.19986229032272 0.37500000000000 0.33803289234794 32.065 > 8 86 S 0.53319562365605 0.37500000000000 0.33803289234794 32.065 > 8 87 S 0.86652895698939 0.37500000000000 0.33803289234794 32.065 > 8 88 S 0.19986229032272 0.87500000000000 0.33803289234794 32.065 > 8 89 S 0.53319562365605 0.87500000000000 0.33803289234794 32.065 > 8 90 S 0.86652895698939 0.87500000000000 0.33803289234794 32.065 > 8 91 S 0.19986229032272 0.37500000000000 0.83803289234794 32.065 > 8 92 S 0.53319562365605 0.37500000000000 0.83803289234794 32.065 > 8 93 S 0.86652895698939 0.37500000000000 0.83803289234794 32.065 > 8 94 S 0.19986229032272 0.87500000000000 0.83803289234794 32.065 > 8 95 S 0.53319562365605 0.87500000000000 0.83803289234794 32.065 > 8 96 S 0.86652895698939 0.87500000000000 0.83803289234794 32.065 > 8 *97 Rb 0.05367414987781 0.12500000000000 0.39411841622992 85.468 > 9 98 Rb 0.38700748321115 0.12500000000000 0.39411841622992 85.468 > 9 99 Rb 0.72034081654448 0.12500000000000 0.39411841622992 85.468 > 9 100 Rb 0.05367414987781 0.62500000000000 0.39411841622992 85.468 > 9 101 Rb 0.38700748321115 0.62500000000000 0.39411841622992 85.468 > 9 102 Rb 0.72034081654448 0.62500000000000 0.39411841622992 85.468 > 9 103 Rb 0.05367414987781 0.12500000000000 0.89411841622992 85.468 > 9 104 Rb 0.38700748321115 0.12500000000000 0.89411841622992 85.468 > 9 105 Rb 0.72034081654448 0.12500000000000 0.89411841622992 85.468 > 9 106 Rb 0.05367414987781 0.62500000000000 0.89411841622992 85.468 > 9 107 Rb 0.38700748321115 0.62500000000000 0.89411841622992 85.468 > 9 108 Rb 0.72034081654448 0.62500000000000 0.89411841622992 85.468 > 9 109 Rb 0.27965918345552 0.37500000000000 0.10588158377008 85.468 > 10 110 Rb 0.61299251678885 0.37500000000000 0.10588158377008 85.468 > 10 111 Rb 0.94632585012219 0.37500000000000 0.10588158377008 85.468 > 10 112 Rb 0.27965918345552 0.87500000000000 0.10588158377008 85.468 > 10 113 Rb 0.61299251678885 0.87500000000000 0.10588158377008 85.468 > 10 114 Rb 0.94632585012219 0.87500000000000 0.10588158377008 85.468 > 10 115 Rb 0.27965918345552 0.37500000000000 0.60588158377008 85.468 > 10 116 Rb 0.61299251678885 0.37500000000000 0.60588158377008 85.468 > 10 117 Rb 0.94632585012219 0.37500000000000 0.60588158377008 85.468 > 10 118 Rb 0.27965918345552 0.87500000000000 0.60588158377008 85.468 > 10 119 Rb 0.61299251678885 0.87500000000000 0.60588158377008 85.468 > 10 120 Rb 0.94632585012219 0.87500000000000 0.60588158377008 85.468 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3300908 0.0000000 0.0732441 0.0000000 2.3726874 0.0000000 0.0732442 0.0000000 2.1663559 -------------------------- Born effective charges -------------------------- 1 O -0.6854859 0.2215900 -0.1611090 -0.0553674 -1.6807275 0.7208259 0.0329106 0.2614639 -1.0384711 2 O -0.6854859 -0.2215900 -0.1611090 0.0553674 -1.6807275 -0.7208259 0.0329106 -0.2614639 -1.0384711 3 O -0.6854859 0.2215900 -0.1611090 -0.0553674 -1.6807275 0.7208259 0.0329106 0.2614639 -1.0384711 4 O -0.6854859 -0.2215900 -0.1611090 0.0553674 -1.6807275 -0.7208259 0.0329106 -0.2614639 -1.0384711 5 F -2.0745073 0.0000000 -0.2382342 0.0000000 -0.6095830 0.0000000 -0.5338396 0.0000000 -0.6201621 6 F -2.0745073 0.0000000 -0.2382342 0.0000000 -0.6095830 0.0000000 -0.5338396 0.0000000 -0.6201621 7 S 2.1854042 0.0000000 0.5219865 0.0000000 2.6990473 0.0000000 0.4540955 0.0000000 1.4681425 8 S 2.1854042 0.0000000 0.5219865 0.0000000 2.6990473 0.0000000 0.4540955 0.0000000 1.4681425 9 Rb 1.2600748 0.0000000 0.0384658 0.0000000 1.2719908 0.0000000 0.0139228 0.0000000 1.2289619 10 Rb 1.2600748 0.0000000 0.0384658 0.0000000 1.2719908 0.0000000 0.0139228 0.0000000 1.2289619 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1452 Number of blocks in projector: 1452 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 354 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 202 Use standard eigh solver. Tree of FC basis block matrices: - (1452, 1429), data: False |-- (202, 198), data: True |-- (202, 198), data: True |-- (202, 198), data: True |-- (246, 244), data: True |-- (246, 244), data: True |-- (354, 347), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.066 Solver_block: 200 / 320 - Time: 2.042 Solver_block: 300 / 320 - Time: 2.036 Solver_block: 320 / 320 - Time: 0.480 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.656 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1452 Number of blocks in projector: 1452 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 354 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 202 Use standard eigh solver. Tree of FC basis block matrices: - (1452, 1429), data: False |-- (202, 198), data: True |-- (202, 198), data: True |-- (202, 198), data: True |-- (246, 244), data: True |-- (246, 244), data: True |-- (354, 347), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:35:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:35:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.751142384188492 0.000000000000000 0.000000000000000 b 0.000000000000000 5.958150640000001 0.000000000000000 c -2.052619931427659 0.000000000000000 6.840463365338815 Atomic positions (fractional): 1 O 0.33403705024246 0.45447679370999 0.20239168041725 15.999 2 O 0.66596294975754 0.95447679370999 0.79760831958275 15.999 3 O 0.66596294975754 0.54552320629001 0.79760831958275 15.999 4 O 0.33403705024246 0.04552320629001 0.20239168041725 15.999 5 F 0.20662147921879 0.75000000000000 0.62282655511330 18.998 6 F 0.79337852078121 0.25000000000000 0.37717344488670 18.998 7 S 0.40041312903184 0.25000000000000 0.32393421530411 32.065 8 S 0.59958687096816 0.75000000000000 0.67606578469589 32.065 9 Rb 0.16102244963344 0.25000000000000 0.78823683245983 85.468 10 Rb 0.83897755036656 0.75000000000000 0.21176316754017 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.253427152565477 0.000000000000000 0.000000000000000 b 0.000000000000000 11.916301280000003 0.000000000000000 c -4.105239862855318 0.000000000000000 13.680926730677630 Atomic positions (fractional): 1 O 0.11134568341415 0.22723839685500 0.10119584020863 15.999 > 1 2 O 0.44467901674749 0.22723839685500 0.10119584020863 15.999 > 1 3 O 0.77801235008082 0.22723839685500 0.10119584020863 15.999 > 1 4 O 0.11134568341415 0.72723839685500 0.10119584020863 15.999 > 1 5 O 0.44467901674749 0.72723839685500 0.10119584020863 15.999 > 1 6 O 0.77801235008082 0.72723839685500 0.10119584020863 15.999 > 1 7 O 0.11134568341415 0.22723839685500 0.60119584020863 15.999 > 1 8 O 0.44467901674749 0.22723839685500 0.60119584020863 15.999 > 1 9 O 0.77801235008082 0.22723839685500 0.60119584020863 15.999 > 1 10 O 0.11134568341415 0.72723839685500 0.60119584020863 15.999 > 1 11 O 0.44467901674749 0.72723839685500 0.60119584020863 15.999 > 1 12 O 0.77801235008082 0.72723839685500 0.60119584020863 15.999 > 1 13 O 0.22198764991918 0.47723839685500 0.39880415979137 15.999 > 13 14 O 0.55532098325251 0.47723839685500 0.39880415979137 15.999 > 13 15 O 0.88865431658585 0.47723839685500 0.39880415979137 15.999 > 13 16 O 0.22198764991918 0.97723839685500 0.39880415979137 15.999 > 13 17 O 0.55532098325251 0.97723839685500 0.39880415979137 15.999 > 13 18 O 0.88865431658585 0.97723839685500 0.39880415979137 15.999 > 13 19 O 0.22198764991918 0.47723839685500 0.89880415979137 15.999 > 13 20 O 0.55532098325251 0.47723839685500 0.89880415979137 15.999 > 13 21 O 0.88865431658585 0.47723839685500 0.89880415979137 15.999 > 13 22 O 0.22198764991918 0.97723839685500 0.89880415979137 15.999 > 13 23 O 0.55532098325251 0.97723839685500 0.89880415979137 15.999 > 13 24 O 0.88865431658585 0.97723839685500 0.89880415979137 15.999 > 13 25 O 0.22198764991918 0.27276160314500 0.39880415979137 15.999 > 25 26 O 0.55532098325251 0.27276160314500 0.39880415979137 15.999 > 25 27 O 0.88865431658585 0.27276160314500 0.39880415979137 15.999 > 25 28 O 0.22198764991918 0.77276160314500 0.39880415979137 15.999 > 25 29 O 0.55532098325251 0.77276160314500 0.39880415979137 15.999 > 25 30 O 0.88865431658585 0.77276160314500 0.39880415979137 15.999 > 25 31 O 0.22198764991918 0.27276160314500 0.89880415979137 15.999 > 25 32 O 0.55532098325251 0.27276160314500 0.89880415979137 15.999 > 25 33 O 0.88865431658585 0.27276160314500 0.89880415979137 15.999 > 25 34 O 0.22198764991918 0.77276160314500 0.89880415979137 15.999 > 25 35 O 0.55532098325251 0.77276160314500 0.89880415979137 15.999 > 25 36 O 0.88865431658585 0.77276160314500 0.89880415979137 15.999 > 25 37 O 0.11134568341415 0.02276160314500 0.10119584020863 15.999 > 37 38 O 0.44467901674749 0.02276160314500 0.10119584020863 15.999 > 37 39 O 0.77801235008082 0.02276160314500 0.10119584020863 15.999 > 37 40 O 0.11134568341415 0.52276160314500 0.10119584020863 15.999 > 37 41 O 0.44467901674749 0.52276160314500 0.10119584020863 15.999 > 37 42 O 0.77801235008082 0.52276160314500 0.10119584020863 15.999 > 37 43 O 0.11134568341415 0.02276160314500 0.60119584020863 15.999 > 37 44 O 0.44467901674749 0.02276160314500 0.60119584020863 15.999 > 37 45 O 0.77801235008082 0.02276160314500 0.60119584020863 15.999 > 37 46 O 0.11134568341415 0.52276160314500 0.60119584020863 15.999 > 37 47 O 0.44467901674749 0.52276160314500 0.60119584020863 15.999 > 37 48 O 0.77801235008082 0.52276160314500 0.60119584020863 15.999 > 37 49 F 0.06887382640626 0.37500000000000 0.31141327755665 18.998 > 49 50 F 0.40220715973960 0.37500000000000 0.31141327755665 18.998 > 49 51 F 0.73554049307293 0.37500000000000 0.31141327755665 18.998 > 49 52 F 0.06887382640626 0.87500000000000 0.31141327755665 18.998 > 49 53 F 0.40220715973960 0.87500000000000 0.31141327755665 18.998 > 49 54 F 0.73554049307293 0.87500000000000 0.31141327755665 18.998 > 49 55 F 0.06887382640626 0.37500000000000 0.81141327755665 18.998 > 49 56 F 0.40220715973960 0.37500000000000 0.81141327755665 18.998 > 49 57 F 0.73554049307293 0.37500000000000 0.81141327755665 18.998 > 49 58 F 0.06887382640626 0.87500000000000 0.81141327755665 18.998 > 49 59 F 0.40220715973960 0.87500000000000 0.81141327755665 18.998 > 49 60 F 0.73554049307293 0.87500000000000 0.81141327755665 18.998 > 49 61 F 0.26445950692707 0.12500000000000 0.18858672244335 18.998 > 61 62 F 0.59779284026040 0.12500000000000 0.18858672244335 18.998 > 61 63 F 0.93112617359374 0.12500000000000 0.18858672244335 18.998 > 61 64 F 0.26445950692707 0.62500000000000 0.18858672244335 18.998 > 61 65 F 0.59779284026040 0.62500000000000 0.18858672244335 18.998 > 61 66 F 0.93112617359374 0.62500000000000 0.18858672244335 18.998 > 61 67 F 0.26445950692707 0.12500000000000 0.68858672244335 18.998 > 61 68 F 0.59779284026040 0.12500000000000 0.68858672244335 18.998 > 61 69 F 0.93112617359374 0.12500000000000 0.68858672244335 18.998 > 61 70 F 0.26445950692707 0.62500000000000 0.68858672244335 18.998 > 61 71 F 0.59779284026040 0.62500000000000 0.68858672244335 18.998 > 61 72 F 0.93112617359374 0.62500000000000 0.68858672244335 18.998 > 61 73 S 0.13347104301061 0.12500000000000 0.16196710765206 32.065 > 73 74 S 0.46680437634395 0.12500000000000 0.16196710765206 32.065 > 73 75 S 0.80013770967728 0.12500000000000 0.16196710765206 32.065 > 73 76 S 0.13347104301061 0.62500000000000 0.16196710765206 32.065 > 73 77 S 0.46680437634395 0.62500000000000 0.16196710765206 32.065 > 73 78 S 0.80013770967728 0.62500000000000 0.16196710765206 32.065 > 73 79 S 0.13347104301061 0.12500000000000 0.66196710765206 32.065 > 73 80 S 0.46680437634395 0.12500000000000 0.66196710765206 32.065 > 73 81 S 0.80013770967728 0.12500000000000 0.66196710765206 32.065 > 73 82 S 0.13347104301061 0.62500000000000 0.66196710765206 32.065 > 73 83 S 0.46680437634395 0.62500000000000 0.66196710765206 32.065 > 73 84 S 0.80013770967728 0.62500000000000 0.66196710765206 32.065 > 73 85 S 0.19986229032272 0.37500000000000 0.33803289234794 32.065 > 85 86 S 0.53319562365605 0.37500000000000 0.33803289234794 32.065 > 85 87 S 0.86652895698939 0.37500000000000 0.33803289234794 32.065 > 85 88 S 0.19986229032272 0.87500000000000 0.33803289234794 32.065 > 85 89 S 0.53319562365605 0.87500000000000 0.33803289234794 32.065 > 85 90 S 0.86652895698939 0.87500000000000 0.33803289234794 32.065 > 85 91 S 0.19986229032272 0.37500000000000 0.83803289234794 32.065 > 85 92 S 0.53319562365605 0.37500000000000 0.83803289234794 32.065 > 85 93 S 0.86652895698939 0.37500000000000 0.83803289234794 32.065 > 85 94 S 0.19986229032272 0.87500000000000 0.83803289234794 32.065 > 85 95 S 0.53319562365605 0.87500000000000 0.83803289234794 32.065 > 85 96 S 0.86652895698939 0.87500000000000 0.83803289234794 32.065 > 85 97 Rb 0.05367414987781 0.12500000000000 0.39411841622992 85.468 > 97 98 Rb 0.38700748321115 0.12500000000000 0.39411841622992 85.468 > 97 99 Rb 0.72034081654448 0.12500000000000 0.39411841622992 85.468 > 97 100 Rb 0.05367414987781 0.62500000000000 0.39411841622992 85.468 > 97 101 Rb 0.38700748321115 0.62500000000000 0.39411841622992 85.468 > 97 102 Rb 0.72034081654448 0.62500000000000 0.39411841622992 85.468 > 97 103 Rb 0.05367414987781 0.12500000000000 0.89411841622992 85.468 > 97 104 Rb 0.38700748321115 0.12500000000000 0.89411841622992 85.468 > 97 105 Rb 0.72034081654448 0.12500000000000 0.89411841622992 85.468 > 97 106 Rb 0.05367414987781 0.62500000000000 0.89411841622992 85.468 > 97 107 Rb 0.38700748321115 0.62500000000000 0.89411841622992 85.468 > 97 108 Rb 0.72034081654448 0.62500000000000 0.89411841622992 85.468 > 97 109 Rb 0.27965918345552 0.37500000000000 0.10588158377008 85.468 > 109 110 Rb 0.61299251678885 0.37500000000000 0.10588158377008 85.468 > 109 111 Rb 0.94632585012219 0.37500000000000 0.10588158377008 85.468 > 109 112 Rb 0.27965918345552 0.87500000000000 0.10588158377008 85.468 > 109 113 Rb 0.61299251678885 0.87500000000000 0.10588158377008 85.468 > 109 114 Rb 0.94632585012219 0.87500000000000 0.10588158377008 85.468 > 109 115 Rb 0.27965918345552 0.37500000000000 0.60588158377008 85.468 > 109 116 Rb 0.61299251678885 0.37500000000000 0.60588158377008 85.468 > 109 117 Rb 0.94632585012219 0.37500000000000 0.60588158377008 85.468 > 109 118 Rb 0.27965918345552 0.87500000000000 0.60588158377008 85.468 > 109 119 Rb 0.61299251678885 0.87500000000000 0.60588158377008 85.468 > 109 120 Rb 0.94632585012219 0.87500000000000 0.60588158377008 85.468 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3300908 0.0000000 0.0732441 0.0000000 2.3726874 0.0000000 0.0732442 0.0000000 2.1663559 -------------------------- Born effective charges -------------------------- 1 O -0.6854859 0.2215900 -0.1611090 -0.0553674 -1.6807275 0.7208259 0.0329106 0.2614639 -1.0384711 2 O -0.6854859 -0.2215900 -0.1611090 0.0553674 -1.6807275 -0.7208259 0.0329106 -0.2614639 -1.0384711 3 O -0.6854859 0.2215900 -0.1611090 -0.0553674 -1.6807275 0.7208259 0.0329106 0.2614639 -1.0384711 4 O -0.6854859 -0.2215900 -0.1611090 0.0553674 -1.6807275 -0.7208259 0.0329106 -0.2614639 -1.0384711 5 F -2.0745073 0.0000000 -0.2382342 0.0000000 -0.6095830 0.0000000 -0.5338396 0.0000000 -0.6201621 6 F -2.0745073 0.0000000 -0.2382342 0.0000000 -0.6095830 0.0000000 -0.5338396 0.0000000 -0.6201621 7 S 2.1854042 0.0000000 0.5219865 0.0000000 2.6990473 0.0000000 0.4540955 0.0000000 1.4681425 8 S 2.1854042 0.0000000 0.5219865 0.0000000 2.6990473 0.0000000 0.4540955 0.0000000 1.4681425 9 Rb 1.2600748 0.0000000 0.0384658 0.0000000 1.2719908 0.0000000 0.0139228 0.0000000 1.2289619 10 Rb 1.2600748 0.0000000 0.0384658 0.0000000 1.2719908 0.0000000 0.0139228 0.0000000 1.2289619 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000007 (yzy) -0.00000007 (yzy) -0.00000007 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:35:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:35:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.751142384188492 0.000000000000000 0.000000000000000 b 0.000000000000000 5.958150640000001 0.000000000000000 c -2.052619931427659 0.000000000000000 6.840463365338815 Atomic positions (fractional): 1 O 0.33403705024246 0.45447679370999 0.20239168041725 15.999 2 O 0.66596294975754 0.95447679370999 0.79760831958275 15.999 3 O 0.66596294975754 0.54552320629001 0.79760831958275 15.999 4 O 0.33403705024246 0.04552320629001 0.20239168041725 15.999 5 F 0.20662147921879 0.75000000000000 0.62282655511330 18.998 6 F 0.79337852078121 0.25000000000000 0.37717344488670 18.998 7 S 0.40041312903184 0.25000000000000 0.32393421530411 32.065 8 S 0.59958687096816 0.75000000000000 0.67606578469589 32.065 9 Rb 0.16102244963344 0.25000000000000 0.78823683245983 85.468 10 Rb 0.83897755036656 0.75000000000000 0.21176316754017 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.253427152565477 0.000000000000000 0.000000000000000 b 0.000000000000000 11.916301280000003 0.000000000000000 c -4.105239862855318 0.000000000000000 13.680926730677630 Atomic positions (fractional): 1 O 0.11134568341415 0.22723839685500 0.10119584020863 15.999 > 1 2 O 0.44467901674749 0.22723839685500 0.10119584020863 15.999 > 1 3 O 0.77801235008082 0.22723839685500 0.10119584020863 15.999 > 1 4 O 0.11134568341415 0.72723839685500 0.10119584020863 15.999 > 1 5 O 0.44467901674749 0.72723839685500 0.10119584020863 15.999 > 1 6 O 0.77801235008082 0.72723839685500 0.10119584020863 15.999 > 1 7 O 0.11134568341415 0.22723839685500 0.60119584020863 15.999 > 1 8 O 0.44467901674749 0.22723839685500 0.60119584020863 15.999 > 1 9 O 0.77801235008082 0.22723839685500 0.60119584020863 15.999 > 1 10 O 0.11134568341415 0.72723839685500 0.60119584020863 15.999 > 1 11 O 0.44467901674749 0.72723839685500 0.60119584020863 15.999 > 1 12 O 0.77801235008082 0.72723839685500 0.60119584020863 15.999 > 1 13 O 0.22198764991918 0.47723839685500 0.39880415979137 15.999 > 13 14 O 0.55532098325251 0.47723839685500 0.39880415979137 15.999 > 13 15 O 0.88865431658585 0.47723839685500 0.39880415979137 15.999 > 13 16 O 0.22198764991918 0.97723839685500 0.39880415979137 15.999 > 13 17 O 0.55532098325251 0.97723839685500 0.39880415979137 15.999 > 13 18 O 0.88865431658585 0.97723839685500 0.39880415979137 15.999 > 13 19 O 0.22198764991918 0.47723839685500 0.89880415979137 15.999 > 13 20 O 0.55532098325251 0.47723839685500 0.89880415979137 15.999 > 13 21 O 0.88865431658585 0.47723839685500 0.89880415979137 15.999 > 13 22 O 0.22198764991918 0.97723839685500 0.89880415979137 15.999 > 13 23 O 0.55532098325251 0.97723839685500 0.89880415979137 15.999 > 13 24 O 0.88865431658585 0.97723839685500 0.89880415979137 15.999 > 13 25 O 0.22198764991918 0.27276160314500 0.39880415979137 15.999 > 25 26 O 0.55532098325251 0.27276160314500 0.39880415979137 15.999 > 25 27 O 0.88865431658585 0.27276160314500 0.39880415979137 15.999 > 25 28 O 0.22198764991918 0.77276160314500 0.39880415979137 15.999 > 25 29 O 0.55532098325251 0.77276160314500 0.39880415979137 15.999 > 25 30 O 0.88865431658585 0.77276160314500 0.39880415979137 15.999 > 25 31 O 0.22198764991918 0.27276160314500 0.89880415979137 15.999 > 25 32 O 0.55532098325251 0.27276160314500 0.89880415979137 15.999 > 25 33 O 0.88865431658585 0.27276160314500 0.89880415979137 15.999 > 25 34 O 0.22198764991918 0.77276160314500 0.89880415979137 15.999 > 25 35 O 0.55532098325251 0.77276160314500 0.89880415979137 15.999 > 25 36 O 0.88865431658585 0.77276160314500 0.89880415979137 15.999 > 25 37 O 0.11134568341415 0.02276160314500 0.10119584020863 15.999 > 37 38 O 0.44467901674749 0.02276160314500 0.10119584020863 15.999 > 37 39 O 0.77801235008082 0.02276160314500 0.10119584020863 15.999 > 37 40 O 0.11134568341415 0.52276160314500 0.10119584020863 15.999 > 37 41 O 0.44467901674749 0.52276160314500 0.10119584020863 15.999 > 37 42 O 0.77801235008082 0.52276160314500 0.10119584020863 15.999 > 37 43 O 0.11134568341415 0.02276160314500 0.60119584020863 15.999 > 37 44 O 0.44467901674749 0.02276160314500 0.60119584020863 15.999 > 37 45 O 0.77801235008082 0.02276160314500 0.60119584020863 15.999 > 37 46 O 0.11134568341415 0.52276160314500 0.60119584020863 15.999 > 37 47 O 0.44467901674749 0.52276160314500 0.60119584020863 15.999 > 37 48 O 0.77801235008082 0.52276160314500 0.60119584020863 15.999 > 37 49 F 0.06887382640626 0.37500000000000 0.31141327755665 18.998 > 49 50 F 0.40220715973960 0.37500000000000 0.31141327755665 18.998 > 49 51 F 0.73554049307293 0.37500000000000 0.31141327755665 18.998 > 49 52 F 0.06887382640626 0.87500000000000 0.31141327755665 18.998 > 49 53 F 0.40220715973960 0.87500000000000 0.31141327755665 18.998 > 49 54 F 0.73554049307293 0.87500000000000 0.31141327755665 18.998 > 49 55 F 0.06887382640626 0.37500000000000 0.81141327755665 18.998 > 49 56 F 0.40220715973960 0.37500000000000 0.81141327755665 18.998 > 49 57 F 0.73554049307293 0.37500000000000 0.81141327755665 18.998 > 49 58 F 0.06887382640626 0.87500000000000 0.81141327755665 18.998 > 49 59 F 0.40220715973960 0.87500000000000 0.81141327755665 18.998 > 49 60 F 0.73554049307293 0.87500000000000 0.81141327755665 18.998 > 49 61 F 0.26445950692707 0.12500000000000 0.18858672244335 18.998 > 61 62 F 0.59779284026040 0.12500000000000 0.18858672244335 18.998 > 61 63 F 0.93112617359374 0.12500000000000 0.18858672244335 18.998 > 61 64 F 0.26445950692707 0.62500000000000 0.18858672244335 18.998 > 61 65 F 0.59779284026040 0.62500000000000 0.18858672244335 18.998 > 61 66 F 0.93112617359374 0.62500000000000 0.18858672244335 18.998 > 61 67 F 0.26445950692707 0.12500000000000 0.68858672244335 18.998 > 61 68 F 0.59779284026040 0.12500000000000 0.68858672244335 18.998 > 61 69 F 0.93112617359374 0.12500000000000 0.68858672244335 18.998 > 61 70 F 0.26445950692707 0.62500000000000 0.68858672244335 18.998 > 61 71 F 0.59779284026040 0.62500000000000 0.68858672244335 18.998 > 61 72 F 0.93112617359374 0.62500000000000 0.68858672244335 18.998 > 61 73 S 0.13347104301061 0.12500000000000 0.16196710765206 32.065 > 73 74 S 0.46680437634395 0.12500000000000 0.16196710765206 32.065 > 73 75 S 0.80013770967728 0.12500000000000 0.16196710765206 32.065 > 73 76 S 0.13347104301061 0.62500000000000 0.16196710765206 32.065 > 73 77 S 0.46680437634395 0.62500000000000 0.16196710765206 32.065 > 73 78 S 0.80013770967728 0.62500000000000 0.16196710765206 32.065 > 73 79 S 0.13347104301061 0.12500000000000 0.66196710765206 32.065 > 73 80 S 0.46680437634395 0.12500000000000 0.66196710765206 32.065 > 73 81 S 0.80013770967728 0.12500000000000 0.66196710765206 32.065 > 73 82 S 0.13347104301061 0.62500000000000 0.66196710765206 32.065 > 73 83 S 0.46680437634395 0.62500000000000 0.66196710765206 32.065 > 73 84 S 0.80013770967728 0.62500000000000 0.66196710765206 32.065 > 73 85 S 0.19986229032272 0.37500000000000 0.33803289234794 32.065 > 85 86 S 0.53319562365605 0.37500000000000 0.33803289234794 32.065 > 85 87 S 0.86652895698939 0.37500000000000 0.33803289234794 32.065 > 85 88 S 0.19986229032272 0.87500000000000 0.33803289234794 32.065 > 85 89 S 0.53319562365605 0.87500000000000 0.33803289234794 32.065 > 85 90 S 0.86652895698939 0.87500000000000 0.33803289234794 32.065 > 85 91 S 0.19986229032272 0.37500000000000 0.83803289234794 32.065 > 85 92 S 0.53319562365605 0.37500000000000 0.83803289234794 32.065 > 85 93 S 0.86652895698939 0.37500000000000 0.83803289234794 32.065 > 85 94 S 0.19986229032272 0.87500000000000 0.83803289234794 32.065 > 85 95 S 0.53319562365605 0.87500000000000 0.83803289234794 32.065 > 85 96 S 0.86652895698939 0.87500000000000 0.83803289234794 32.065 > 85 97 Rb 0.05367414987781 0.12500000000000 0.39411841622992 85.468 > 97 98 Rb 0.38700748321115 0.12500000000000 0.39411841622992 85.468 > 97 99 Rb 0.72034081654448 0.12500000000000 0.39411841622992 85.468 > 97 100 Rb 0.05367414987781 0.62500000000000 0.39411841622992 85.468 > 97 101 Rb 0.38700748321115 0.62500000000000 0.39411841622992 85.468 > 97 102 Rb 0.72034081654448 0.62500000000000 0.39411841622992 85.468 > 97 103 Rb 0.05367414987781 0.12500000000000 0.89411841622992 85.468 > 97 104 Rb 0.38700748321115 0.12500000000000 0.89411841622992 85.468 > 97 105 Rb 0.72034081654448 0.12500000000000 0.89411841622992 85.468 > 97 106 Rb 0.05367414987781 0.62500000000000 0.89411841622992 85.468 > 97 107 Rb 0.38700748321115 0.62500000000000 0.89411841622992 85.468 > 97 108 Rb 0.72034081654448 0.62500000000000 0.89411841622992 85.468 > 97 109 Rb 0.27965918345552 0.37500000000000 0.10588158377008 85.468 > 109 110 Rb 0.61299251678885 0.37500000000000 0.10588158377008 85.468 > 109 111 Rb 0.94632585012219 0.37500000000000 0.10588158377008 85.468 > 109 112 Rb 0.27965918345552 0.87500000000000 0.10588158377008 85.468 > 109 113 Rb 0.61299251678885 0.87500000000000 0.10588158377008 85.468 > 109 114 Rb 0.94632585012219 0.87500000000000 0.10588158377008 85.468 > 109 115 Rb 0.27965918345552 0.37500000000000 0.60588158377008 85.468 > 109 116 Rb 0.61299251678885 0.37500000000000 0.60588158377008 85.468 > 109 117 Rb 0.94632585012219 0.37500000000000 0.60588158377008 85.468 > 109 118 Rb 0.27965918345552 0.87500000000000 0.60588158377008 85.468 > 109 119 Rb 0.61299251678885 0.87500000000000 0.60588158377008 85.468 > 109 120 Rb 0.94632585012219 0.87500000000000 0.60588158377008 85.468 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3300908 0.0000000 0.0732441 0.0000000 2.3726874 0.0000000 0.0732442 0.0000000 2.1663559 -------------------------- Born effective charges -------------------------- 1 O -0.6854859 0.2215900 -0.1611090 -0.0553674 -1.6807275 0.7208259 0.0329106 0.2614639 -1.0384711 2 O -0.6854859 -0.2215900 -0.1611090 0.0553674 -1.6807275 -0.7208259 0.0329106 -0.2614639 -1.0384711 3 O -0.6854859 0.2215900 -0.1611090 -0.0553674 -1.6807275 0.7208259 0.0329106 0.2614639 -1.0384711 4 O -0.6854859 -0.2215900 -0.1611090 0.0553674 -1.6807275 -0.7208259 0.0329106 -0.2614639 -1.0384711 5 F -2.0745073 0.0000000 -0.2382342 0.0000000 -0.6095830 0.0000000 -0.5338396 0.0000000 -0.6201621 6 F -2.0745073 0.0000000 -0.2382342 0.0000000 -0.6095830 0.0000000 -0.5338396 0.0000000 -0.6201621 7 S 2.1854042 0.0000000 0.5219865 0.0000000 2.6990473 0.0000000 0.4540955 0.0000000 1.4681425 8 S 2.1854042 0.0000000 0.5219865 0.0000000 2.6990473 0.0000000 0.4540955 0.0000000 1.4681425 9 Rb 1.2600748 0.0000000 0.0384658 0.0000000 1.2719908 0.0000000 0.0139228 0.0000000 1.2289619 10 Rb 1.2600748 0.0000000 0.0384658 0.0000000 1.2719908 0.0000000 0.0139228 0.0000000 1.2289619 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (yzy) -0.00000007 (yzy) -0.00000007 (yyz) 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 ... [ 11 8 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/195) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.238 ( 0.000 0.000 0.000) 0.000 1.274 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 9.953 ( 0.000 0.000 0.000) 0.000 9.965 ( 0.000 0.000 0.000) 0.000 10.505 ( 0.000 0.000 0.000) 0.000 10.610 ( 0.000 0.000 0.000) 0.000 13.840 ( 0.000 0.000 0.000) 0.000 13.908 ( 0.000 0.000 0.000) 0.000 16.628 ( 0.000 0.000 0.000) 0.000 16.709 ( 0.000 0.000 0.000) 0.000 31.780 ( 0.000 0.000 0.000) 0.000 31.850 ( 0.000 0.000 0.000) 0.000 33.388 ( 0.000 0.000 0.000) 0.000 33.860 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/195) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( 11.338 0.000 19.235) 22.328 0.445 ( 21.551 0.000 4.667) 22.050 0.549 ( 31.563 0.000 -3.389) 31.745 1.268 ( 3.139 0.000 -1.132) 3.337 1.419 ( 13.474 0.000 0.919) 13.505 1.826 ( -3.849 0.000 -7.365) 8.310 1.840 ( -0.785 0.000 3.216) 3.310 2.009 ( 0.962 0.000 6.570) 6.640 2.672 ( 1.605 0.000 -1.863) 2.459 2.699 ( 3.172 0.000 -10.840) 11.294 2.951 ( -0.843 0.000 -0.984) 1.296 2.996 ( -2.381 0.000 -0.568) 2.448 3.158 ( -4.712 0.000 9.937) 10.998 3.187 ( -1.248 0.000 0.318) 1.288 3.315 ( -1.251 0.000 0.495) 1.345 3.618 ( -0.512 0.000 2.204) 2.263 3.623 ( -2.153 0.000 -0.342) 2.179 4.263 ( -2.435 0.000 -3.712) 4.439 9.957 ( 0.250 0.000 0.562) 0.615 9.963 ( 0.028 0.000 -0.553) 0.554 10.643 ( 3.539 0.000 -0.915) 3.655 10.925 ( 1.078 0.000 4.625) 4.749 13.972 ( 7.291 0.000 -2.669) 7.764 15.741 ( -13.049 0.000 39.215) 41.329 16.728 ( 1.857 0.000 0.393) 1.899 17.325 ( 14.836 0.000 -47.462) 49.727 31.820 ( -2.935 0.000 0.019) 2.935 31.919 ( -8.001 0.000 21.927) 23.341 33.398 ( 0.878 0.000 0.538) 1.030 33.852 ( -0.684 0.000 -0.520) 0.859 ======================= Grid point 2 (3/195) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 13.876 0.000 15.647) 20.913 0.871 ( 19.926 0.000 4.653) 20.462 1.176 ( 33.606 0.000 2.590) 33.706 1.323 ( 2.758 0.000 -1.803) 3.295 1.696 ( -5.459 0.000 -6.531) 8.512 1.734 ( 17.060 0.000 1.228) 17.104 1.853 ( -0.042 0.000 5.411) 5.412 2.063 ( 1.672 0.000 4.404) 4.710 2.662 ( 1.001 0.000 -8.794) 8.851 2.721 ( 2.171 0.000 -1.572) 2.681 2.922 ( -1.014 0.000 -3.124) 3.285 2.930 ( -3.794 0.000 -1.027) 3.930 3.110 ( -3.644 0.000 2.302) 4.310 3.158 ( -1.946 0.000 0.706) 2.071 3.282 ( -2.645 0.000 0.995) 2.826 3.562 ( -3.810 0.000 -0.568) 3.852 3.620 ( -0.982 0.000 2.999) 3.155 4.165 ( -5.073 0.000 -4.804) 6.986 9.957 ( -0.272 0.000 -0.272) 0.385 9.970 ( 0.720 0.000 0.284) 0.774 10.724 ( 5.434 0.000 -1.665) 5.684 10.981 ( 2.015 0.000 2.921) 3.549 14.141 ( 11.841 0.000 -4.192) 12.562 15.710 ( -6.927 0.000 16.936) 18.298 16.784 ( 3.603 0.000 0.495) 3.637 17.344 ( 8.027 0.000 -21.710) 23.146 31.747 ( -4.300 0.000 -0.582) 4.339 31.877 ( -6.028 0.000 10.363) 11.989 33.427 ( 1.668 0.000 1.020) 1.955 33.828 ( -1.325 0.000 -0.984) 1.650 ======================= Grid point 3 (4/195) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 14.281 0.000 12.460) 18.953 1.226 ( 10.338 0.000 2.833) 10.719 1.349 ( 3.898 0.000 -0.198) 3.903 1.558 ( -4.335 0.000 -5.421) 6.941 1.787 ( 16.377 0.000 8.904) 18.642 1.925 ( 14.548 0.000 4.878) 15.344 2.060 ( 14.558 0.000 0.167) 14.559 2.131 ( 3.527 0.000 1.681) 3.907 2.621 ( 0.218 0.000 -8.749) 8.751 2.747 ( 1.663 0.000 -3.378) 3.765 2.849 ( -3.652 0.000 -1.254) 3.861 2.875 ( -1.482 0.000 -3.060) 3.400 3.064 ( -1.933 0.000 1.142) 2.245 3.123 ( -2.252 0.000 0.765) 2.379 3.229 ( -3.422 0.000 1.645) 3.797 3.475 ( -4.707 0.000 -0.680) 4.756 3.610 ( -1.818 0.000 2.432) 3.036 4.018 ( -7.020 0.000 -5.650) 9.012 9.949 ( -0.318 0.000 -0.490) 0.584 9.988 ( 0.779 0.000 0.495) 0.923 10.823 ( 5.763 0.000 -2.010) 6.104 11.021 ( 0.549 0.000 1.641) 1.730 14.351 ( 11.954 0.000 -4.144) 12.652 15.677 ( -4.142 0.000 8.918) 9.833 16.867 ( 4.738 0.000 0.308) 4.748 17.382 ( 5.853 0.000 -11.706) 13.087 31.658 ( -4.247 0.000 -0.988) 4.360 31.812 ( -5.447 0.000 6.168) 8.229 33.472 ( 2.268 0.000 1.389) 2.659 33.791 ( -1.873 0.000 -1.343) 2.304 ======================= Grid point 4 (5/195) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -7.190 0.000 -2.550) 7.629 1.330 ( 12.905 0.000 9.938) 16.288 1.447 ( -1.326 0.000 -0.610) 1.459 1.624 ( 12.520 0.000 1.513) 12.611 1.863 ( -2.051 0.000 5.266) 5.651 2.200 ( 2.676 0.000 -0.406) 2.707 2.261 ( 6.014 0.000 -1.566) 6.215 2.434 ( 21.774 0.000 7.660) 23.082 2.590 ( 1.499 0.000 -5.129) 5.343 2.729 ( 0.891 0.000 -8.251) 8.299 2.789 ( -1.622 0.000 -1.083) 1.951 2.879 ( 2.762 0.000 0.857) 2.892 3.048 ( -0.634 0.000 1.410) 1.545 3.078 ( -2.762 0.000 0.504) 2.807 3.182 ( -2.369 0.000 1.949) 3.068 3.381 ( -4.447 0.000 -0.698) 4.501 3.579 ( -2.337 0.000 1.323) 2.686 3.839 ( -8.006 0.000 -5.731) 9.845 9.940 ( -0.272 0.000 -0.409) 0.492 10.004 ( 0.605 0.000 0.409) 0.730 10.913 ( 4.644 0.000 -1.998) 5.055 11.021 ( -1.062 0.000 0.875) 1.376 14.528 ( 8.272 0.000 -2.881) 8.759 15.656 ( -2.051 0.000 4.584) 5.022 16.958 ( 4.270 0.000 0.083) 4.271 17.428 ( 3.988 0.000 -5.786) 7.027 31.581 ( -3.029 0.000 -0.915) 3.164 31.747 ( -4.011 0.000 3.473) 5.306 33.527 ( 2.518 0.000 1.555) 2.960 33.743 ( -2.201 0.000 -1.515) 2.673 ======================= Grid point 5 (6/195) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -3.928 0.000 -1.380) 4.164 1.424 ( -0.545 0.000 -0.262) 0.604 1.597 ( 9.343 0.000 6.541) 11.405 1.805 ( -5.163 0.000 -0.993) 5.258 1.823 ( 5.824 0.000 1.240) 5.955 2.219 ( 0.050 0.000 -0.725) 0.726 2.296 ( 0.215 0.000 -1.008) 1.030 2.568 ( -0.426 0.000 -0.771) 0.880 2.732 ( 4.369 0.000 -5.362) 6.917 2.747 ( 3.162 0.000 3.670) 4.844 2.774 ( 0.158 0.000 -0.500) 0.524 2.985 ( 6.796 0.000 1.232) 6.906 3.035 ( -1.514 0.000 0.351) 1.554 3.052 ( -0.450 0.000 1.723) 1.780 3.161 ( -0.714 0.000 0.867) 1.123 3.312 ( -2.039 0.000 -0.376) 2.073 3.546 ( -1.246 0.000 0.322) 1.287 3.672 ( -5.187 0.000 -3.379) 6.191 9.935 ( -0.108 0.000 -0.157) 0.191 10.014 ( 0.228 0.000 0.156) 0.276 10.972 ( 2.611 0.000 -1.769) 3.154 11.000 ( -1.542 0.000 1.180) 1.942 14.625 ( 2.870 0.000 -1.013) 3.044 15.649 ( -0.578 0.000 1.442) 1.553 17.019 ( 1.743 0.000 -0.001) 1.743 17.460 ( 1.457 0.000 -1.723) 2.257 31.537 ( -1.085 0.000 -0.374) 1.148 31.707 ( -1.495 0.000 1.141) 1.881 33.579 ( 1.701 0.000 1.067) 2.008 33.695 ( -1.580 0.000 -1.051) 1.897 ======================= Grid point 11 (7/195) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( 0.000 13.068 0.000) 13.068 0.480 ( 0.000 22.499 0.000) 22.499 0.687 ( 0.000 31.303 0.000) 31.303 1.330 ( 0.000 5.137 0.000) 5.137 1.394 ( 0.000 12.924 0.000) 12.924 1.778 ( 0.000 -5.458 0.000) 5.458 1.959 ( 0.000 4.885 0.000) 4.885 2.258 ( 0.000 1.857 0.000) 1.857 2.592 ( 0.000 -5.417 0.000) 5.417 2.604 ( 0.000 -3.349 0.000) 3.349 2.880 ( 0.000 -0.466 0.000) 0.466 2.948 ( 0.000 -1.264 0.000) 1.264 3.047 ( 0.000 2.334 0.000) 2.334 3.359 ( 0.000 5.256 0.000) 5.256 3.599 ( 0.000 -1.560 0.000) 1.560 3.643 ( 0.000 -0.260 0.000) 0.260 3.802 ( 0.000 -1.404 0.000) 1.404 4.093 ( 0.000 -4.821 0.000) 4.821 9.965 ( 0.000 0.022 0.000) 0.022 10.036 ( 0.000 -0.407 0.000) 0.407 10.504 ( 0.000 -0.089 0.000) 0.089 10.603 ( 0.000 -0.667 0.000) 0.667 13.840 ( 0.000 0.004 0.000) 0.004 13.902 ( 0.000 -0.514 0.000) 0.514 16.629 ( 0.000 0.139 0.000) 0.139 16.706 ( 0.000 -0.285 0.000) 0.285 31.762 ( 0.000 -1.562 0.000) 1.562 31.834 ( 0.000 -1.458 0.000) 1.458 33.957 ( 0.000 8.791 0.000) 8.791 35.151 ( 0.000 -1.719 0.000) 1.719 ======================= Grid point 12 (8/195) ======================= q-point: ( 0.09 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( 3.950 12.944 -3.207) 13.908 0.487 ( 11.233 10.223 6.423) 16.490 1.018 ( 21.760 25.677 4.017) 33.896 1.316 ( 0.347 4.249 0.372) 4.279 1.518 ( 11.620 10.022 -1.394) 15.408 1.743 ( -2.448 -4.958 -0.741) 5.579 1.914 ( -3.928 4.824 -0.504) 6.241 2.116 ( -4.637 5.955 1.908) 7.784 2.597 ( 1.806 -6.629 -1.066) 6.953 2.660 ( 3.604 -2.966 -8.545) 9.737 2.877 ( -1.167 -3.624 1.602) 4.130 2.994 ( 1.098 -2.372 1.040) 2.813 3.043 ( -0.623 2.450 1.146) 2.775 3.354 ( -0.996 5.231 0.763) 5.380 3.524 ( -12.414 9.417 0.993) 15.614 3.604 ( -1.970 0.195 0.307) 2.004 3.629 ( -1.404 0.089 0.722) 1.581 4.126 ( -0.830 -10.135 -1.605) 10.295 9.965 ( 0.329 0.225 -0.756) 0.855 9.984 ( -1.243 1.672 0.397) 2.121 10.632 ( 3.688 -1.122 -0.412) 3.876 10.776 ( 9.530 -8.813 5.079) 13.939 13.967 ( 7.543 -0.395 -2.328) 7.904 14.886 ( 45.736 -47.525 28.220) 71.741 16.710 ( 3.285 -2.268 -0.781) 4.068 16.800 ( 16.545 -10.679 -11.331) 22.720 31.780 ( -0.794 -4.395 5.832) 7.346 31.807 ( -2.513 -1.450 -0.189) 2.908 33.943 ( -1.322 8.261 -0.418) 8.377 34.397 ( -41.312 39.253 -8.398) 57.602 ======================= Grid point 13 (9/195) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 21.145 -5.122 9.927) 23.914 0.787 ( 14.967 1.914 6.288) 16.347 1.343 ( 1.665 1.963 -0.417) 2.608 1.485 ( 22.417 18.206 4.061) 29.163 1.671 ( 0.233 -0.622 -4.579) 4.627 1.793 ( 13.387 4.837 0.368) 14.239 1.856 ( -2.541 1.253 4.802) 5.575 2.104 ( 0.742 3.469 2.769) 4.500 2.628 ( 2.110 -7.164 -1.850) 7.693 2.659 ( 1.975 -0.731 -8.847) 9.094 2.853 ( -1.196 -3.340 -2.574) 4.383 2.992 ( -0.975 -0.776 1.718) 2.123 3.020 ( -2.458 1.496 0.032) 2.877 3.314 ( -4.417 5.898 1.386) 7.498 3.357 ( -5.658 7.056 0.858) 9.085 3.560 ( -3.156 -0.184 -0.718) 3.242 3.617 ( -0.938 -0.264 2.679) 2.850 4.058 ( -4.140 -9.141 -3.692) 10.692 9.971 ( 0.511 0.816 -0.686) 1.182 9.978 ( 0.162 1.072 0.587) 1.233 10.717 ( 5.546 -0.615 -1.380) 5.748 10.917 ( 4.194 -5.052 2.927) 7.189 14.145 ( 12.189 0.442 -3.654) 12.733 15.445 ( 7.650 -23.026 16.121) 29.131 16.773 ( 3.808 -0.990 0.477) 3.963 17.059 ( 15.457 -17.028 -12.998) 26.416 31.736 ( -4.101 -0.985 -0.397) 4.236 31.784 ( -2.671 -5.596 5.712) 8.431 33.857 ( -14.569 28.225 -1.703) 31.809 33.906 ( -2.838 8.163 -1.086) 8.711 ======================= Grid point 14 (10/195) ======================= q-point: ( 0.27 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 15.589 0.436 12.804) 20.178 1.123 ( 16.338 -6.535 4.619) 18.193 1.351 ( -0.146 1.534 -1.293) 2.011 1.536 ( -4.367 -0.989 -4.009) 6.010 1.844 ( -1.208 -0.301 6.875) 6.987 2.007 ( 17.725 7.772 3.760) 19.716 2.049 ( 12.623 -0.087 1.026) 12.665 2.185 ( 8.817 5.527 1.186) 10.474 2.634 ( 0.213 -0.286 -6.230) 6.240 2.661 ( 3.084 -5.010 -3.502) 6.847 2.793 ( -2.547 -1.684 -6.241) 6.948 2.967 ( -2.243 0.526 0.353) 2.331 3.000 ( 0.523 1.098 2.187) 2.502 3.220 ( -5.078 5.330 0.230) 7.365 3.280 ( -4.023 4.040 2.003) 6.043 3.483 ( -4.174 0.673 -1.102) 4.369 3.612 ( -1.313 0.101 2.167) 2.536 3.937 ( -5.760 -7.011 -4.728) 10.231 9.970 ( -0.025 1.879 -0.555) 1.959 9.994 ( 0.926 0.658 0.428) 1.214 10.819 ( 5.804 -0.334 -1.777) 6.080 10.986 ( 1.698 -2.868 1.655) 3.721 14.364 ( 12.233 1.343 -3.592) 12.820 15.568 ( 0.171 -10.086 8.766) 13.364 16.860 ( 4.900 -0.628 0.338) 4.951 17.234 ( 9.852 -11.454 -8.827) 17.498 31.652 ( -4.103 -0.603 -0.835) 4.231 31.752 ( -3.575 -4.570 4.447) 7.310 33.679 ( -4.935 16.422 0.252) 17.150 33.849 ( -2.834 5.312 -1.200) 6.139 ======================= Grid point 15 (11/195) ======================= q-point: ( 0.36 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -5.347 2.924 -1.312) 6.234 1.324 ( 9.239 -1.090 7.830) 12.160 1.448 ( 0.330 0.391 1.106) 1.219 1.542 ( 13.495 -5.664 3.611) 15.075 1.857 ( -1.043 -1.276 4.137) 4.453 2.136 ( 2.355 -4.209 -0.460) 4.845 2.237 ( 4.637 -2.485 -1.187) 5.393 2.523 ( 16.347 5.156 5.407) 17.973 2.595 ( -1.017 -0.619 -3.188) 3.403 2.693 ( -3.026 -1.688 -6.552) 7.412 2.741 ( 7.325 -0.271 -3.342) 8.056 2.961 ( 1.237 1.607 1.440) 2.487 3.025 ( 0.346 1.765 1.584) 2.396 3.128 ( -4.034 3.719 -0.496) 5.509 3.228 ( -2.589 3.235 2.385) 4.781 3.396 ( -3.853 1.353 -1.323) 4.293 3.590 ( -1.845 0.904 1.107) 2.334 3.791 ( -6.421 -4.109 -4.789) 9.003 9.966 ( -0.078 2.314 -0.450) 2.358 10.013 ( 0.758 0.895 0.329) 1.218 10.911 ( 4.626 -0.214 -1.809) 4.971 11.005 ( -0.269 -1.318 0.918) 1.629 14.549 ( 8.418 1.987 -2.483) 8.999 15.598 ( -0.574 -5.546 4.518) 7.177 16.954 ( 4.408 -0.335 0.098) 4.422 17.345 ( 5.849 -7.094 -4.747) 10.348 31.578 ( -2.942 -0.318 -0.778) 3.060 31.707 ( -3.000 -3.316 2.781) 5.266 33.633 ( -0.932 8.888 0.952) 8.988 33.787 ( -2.737 3.996 -1.314) 5.019 ======================= Grid point 16 (12/195) ======================= q-point: ( 0.45 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -3.359 5.091 -1.040) 6.187 1.383 ( -0.625 -3.537 0.105) 3.594 1.593 ( 8.241 -0.801 5.998) 10.224 1.721 ( -0.695 -3.880 0.356) 3.958 1.881 ( 3.801 1.918 0.823) 4.336 2.135 ( -1.364 -6.657 -0.547) 6.817 2.274 ( 0.706 -2.535 -1.049) 2.833 2.574 ( -0.164 -2.057 1.631) 2.631 2.610 ( -1.433 -3.212 -5.803) 6.786 2.727 ( 3.622 -1.573 1.581) 4.253 2.890 ( 6.962 2.698 -0.531) 7.485 2.989 ( -4.180 0.622 0.505) 4.256 3.021 ( 2.661 1.737 1.207) 3.400 3.104 ( 0.927 3.938 0.583) 4.088 3.212 ( -0.257 3.720 1.309) 3.952 3.334 ( -1.632 2.020 -0.827) 2.725 3.563 ( -1.030 1.514 0.248) 1.847 3.659 ( -4.024 -1.198 -2.686) 4.984 9.963 ( -0.039 2.546 -0.174) 2.552 10.025 ( 0.287 1.060 0.124) 1.105 10.969 ( 2.435 -0.255 -1.564) 2.905 10.996 ( -1.079 -0.312 1.073) 1.553 14.648 ( 2.911 2.292 -0.870) 3.806 15.607 ( -0.209 -4.049 1.420) 4.295 17.017 ( 1.800 -0.145 0.003) 1.806 17.403 ( 2.002 -5.097 -1.460) 5.667 31.536 ( -1.056 -0.158 -0.317) 1.114 31.677 ( -1.172 -2.578 0.951) 2.987 33.637 ( 0.381 5.061 0.719) 5.126 33.737 ( -1.490 3.676 -0.817) 4.050 ======================= Grid point 22 (13/195) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 0.000 14.614 0.000) 14.614 0.933 ( 0.000 20.388 0.000) 20.388 1.268 ( 0.000 21.972 0.000) 21.972 1.482 ( 0.000 8.893 0.000) 8.893 1.634 ( 0.000 -6.620 0.000) 6.620 1.676 ( 0.000 11.929 0.000) 11.929 2.122 ( 0.000 10.540 0.000) 10.540 2.291 ( 0.000 0.344 0.000) 0.344 2.463 ( 0.000 -5.786 0.000) 5.786 2.499 ( 0.000 -6.561 0.000) 6.561 2.877 ( 0.000 0.332 0.000) 0.332 2.918 ( 0.000 -1.396 0.000) 1.396 3.111 ( 0.000 3.694 0.000) 3.694 3.479 ( 0.000 5.579 0.000) 5.579 3.559 ( 0.000 -1.981 0.000) 1.981 3.627 ( 0.000 -1.446 0.000) 1.446 3.763 ( 0.000 -2.135 0.000) 2.135 3.944 ( 0.000 -9.199 0.000) 9.199 9.967 ( 0.000 0.190 0.000) 0.190 10.024 ( 0.000 -0.744 0.000) 0.744 10.503 ( 0.000 0.101 0.000) 0.101 10.583 ( 0.000 -1.181 0.000) 1.181 13.840 ( 0.000 0.107 0.000) 0.107 13.888 ( 0.000 -0.815 0.000) 0.815 16.634 ( 0.000 0.406 0.000) 0.406 16.697 ( 0.000 -0.583 0.000) 0.583 31.727 ( 0.000 -1.493 0.000) 1.493 31.794 ( 0.000 -2.198 0.000) 2.198 34.200 ( 0.000 13.621 0.000) 13.621 35.091 ( 0.000 -4.220 0.000) 4.220 ======================= Grid point 23 (14/195) ======================= q-point: ( 0.09 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 0.601 15.351 -0.040) 15.362 0.802 ( -3.715 18.309 1.638) 18.753 1.421 ( 0.991 6.336 1.297) 6.543 1.520 ( 10.286 15.054 2.316) 18.379 1.627 ( 1.321 -0.918 1.122) 1.961 1.756 ( 7.454 10.248 -1.267) 12.735 2.046 ( -7.225 6.806 0.406) 9.934 2.233 ( -2.414 6.273 0.414) 6.734 2.457 ( 1.097 -5.733 -2.158) 6.223 2.561 ( 4.413 -6.512 -3.243) 8.509 2.838 ( -1.939 -0.522 -1.009) 2.247 2.951 ( 1.175 -1.764 -0.455) 2.167 3.115 ( -0.136 4.043 1.520) 4.322 3.467 ( -1.997 4.899 0.934) 5.372 3.547 ( -1.529 -1.460 1.477) 2.579 3.618 ( -0.837 -1.125 -0.397) 1.457 3.669 ( -8.313 1.463 1.038) 8.504 3.904 ( -2.556 -10.554 -1.728) 10.996 9.971 ( 0.652 0.428 -0.611) 0.991 10.008 ( -0.737 0.514 0.409) 0.987 10.596 ( 5.047 -1.845 1.250) 5.517 10.659 ( 7.879 -2.866 1.357) 8.493 13.960 ( 8.418 -0.198 -1.302) 8.520 14.284 ( 32.954 -15.215 12.839) 38.501 16.665 ( 3.672 -0.886 -1.612) 4.107 16.727 ( 3.756 -1.267 -1.528) 4.248 31.717 ( -1.233 -1.990 1.056) 2.568 31.770 ( -2.324 -2.007 -0.129) 3.074 34.171 ( -2.869 12.730 -0.354) 13.054 34.812 ( -22.786 6.873 -4.693) 24.258 ======================= Grid point 24 (15/195) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 10.102 10.841 3.127) 15.144 0.905 ( 7.544 8.108 8.201) 13.780 1.418 ( 0.295 4.637 1.007) 4.755 1.557 ( -1.575 -5.023 -1.568) 5.492 1.843 ( 2.942 4.545 4.052) 6.762 1.904 ( 7.042 5.521 0.444) 8.959 1.977 ( 8.433 14.876 3.056) 17.371 2.209 ( -0.068 5.508 -0.540) 5.535 2.489 ( 3.506 -4.319 -2.599) 6.140 2.616 ( 4.115 -4.061 -4.608) 7.394 2.800 ( -1.254 -1.491 -1.978) 2.776 2.939 ( -1.667 -2.189 -1.377) 3.076 3.118 ( -0.610 5.368 1.998) 5.760 3.400 ( -5.845 2.466 2.178) 6.708 3.481 ( -6.337 3.625 0.500) 7.317 3.560 ( -1.960 0.293 -1.840) 2.704 3.603 ( -1.266 -1.395 2.742) 3.327 3.841 ( -2.696 -10.112 -2.762) 10.823 9.986 ( 1.224 0.802 -0.422) 1.523 10.009 ( 0.451 1.387 0.171) 1.468 10.701 ( 5.931 -0.791 -0.549) 6.009 10.816 ( 6.454 -3.986 2.001) 7.846 14.165 ( 13.308 1.631 -2.094) 13.571 14.932 ( 23.042 -22.222 12.142) 34.237 16.745 ( 4.798 -1.395 0.038) 4.997 16.836 ( 9.569 -5.225 -4.872) 11.942 31.694 ( -2.024 -2.891 1.807) 3.965 31.710 ( -3.652 -1.563 -0.349) 3.987 34.092 ( -4.884 10.453 -0.678) 11.558 34.350 ( -20.415 15.387 -3.383) 25.787 ======================= Grid point 25 (16/195) ======================= q-point: ( 0.27 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 18.008 -0.953 8.270) 19.839 1.113 ( 8.281 3.603 9.362) 13.008 1.421 ( -0.923 4.434 -1.645) 4.818 1.520 ( -1.326 -0.380 -0.513) 1.471 1.797 ( -3.963 -3.770 5.854) 8.012 2.000 ( 2.728 -1.410 0.116) 3.073 2.167 ( 2.429 3.999 -0.800) 4.747 2.356 ( 15.143 8.895 3.140) 17.840 2.546 ( 3.265 -2.199 -1.825) 4.339 2.673 ( 4.846 0.754 -5.199) 7.147 2.762 ( -0.912 -1.494 -5.081) 5.375 2.893 ( -1.751 -3.253 0.717) 3.763 3.123 ( 0.142 6.583 2.120) 6.918 3.291 ( -5.776 1.579 0.575) 6.016 3.370 ( -5.435 3.623 1.158) 6.634 3.503 ( -2.955 1.164 -2.045) 3.777 3.606 ( -0.211 -0.901 1.784) 2.010 3.771 ( -2.934 -7.640 -3.028) 8.726 10.010 ( 1.392 1.427 -0.443) 2.042 10.021 ( 0.747 2.050 0.046) 2.183 10.811 ( 5.865 -0.312 -1.107) 5.977 10.922 ( 3.708 -2.826 1.305) 4.842 14.413 ( 13.054 3.441 -2.022) 13.650 15.285 ( 9.262 -15.645 7.798) 19.783 16.845 ( 5.413 -0.728 0.339) 5.472 17.014 ( 11.113 -8.138 -4.734) 14.565 31.635 ( -3.718 -0.976 -0.495) 3.876 31.663 ( -2.241 -3.382 1.977) 4.513 33.981 ( -6.552 8.620 -0.948) 10.869 34.029 ( -11.263 12.784 -1.281) 17.086 ======================= Grid point 26 (17/195) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 5.351 -3.507 5.064) 8.159 1.281 ( 0.483 2.840 3.981) 4.914 1.426 ( 4.091 0.245 2.970) 5.062 1.528 ( 5.900 3.492 3.965) 7.920 1.795 ( 0.252 -4.499 3.226) 5.542 2.034 ( 1.264 -5.773 -0.834) 5.969 2.180 ( 0.268 -1.845 -0.947) 2.091 2.553 ( -0.764 -1.684 -1.795) 2.578 2.586 ( 5.424 0.861 1.577) 5.714 2.675 ( -2.315 -1.351 -7.260) 7.739 2.798 ( 7.393 2.825 -1.358) 8.030 2.921 ( 3.847 -1.103 2.663) 4.808 3.144 ( 0.004 6.085 1.491) 6.265 3.195 ( -3.439 2.263 -1.034) 4.245 3.302 ( -2.234 4.104 2.228) 5.177 3.435 ( -2.484 2.220 -2.307) 4.052 3.606 ( -0.526 0.295 0.653) 0.889 3.695 ( -3.197 -4.458 -2.739) 6.131 10.025 ( 0.573 2.929 -0.551) 3.035 10.041 ( 1.076 1.750 0.183) 2.062 10.905 ( 4.487 -0.217 -1.227) 4.657 10.975 ( 1.338 -1.395 0.749) 2.072 14.616 ( 8.792 4.582 -1.368) 10.008 15.429 ( 3.184 -10.240 4.189) 11.513 16.947 ( 4.818 -0.195 0.091) 4.823 17.179 ( 7.918 -7.642 -2.906) 11.381 31.569 ( -2.678 -0.482 -0.451) 2.758 31.634 ( -1.821 -3.231 1.529) 4.012 33.836 ( -5.984 9.072 -0.241) 10.871 33.895 ( -4.490 5.918 -0.844) 7.476 ======================= Grid point 27 (18/195) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -2.086 7.467 0.346) 7.760 1.304 ( -1.229 -3.128 0.485) 3.395 1.532 ( 4.019 -4.612 4.264) 7.457 1.698 ( 1.827 1.657 1.874) 3.098 1.864 ( 7.768 -4.526 1.721) 9.154 2.010 ( -4.189 -3.924 -0.694) 5.781 2.187 ( 0.778 -4.572 -0.594) 4.675 2.513 ( -1.203 -1.402 -0.820) 2.021 2.586 ( -1.600 -1.887 -3.691) 4.444 2.662 ( 1.074 -4.987 0.916) 5.183 2.874 ( 1.624 -0.907 -0.410) 1.905 3.022 ( 3.033 1.218 1.206) 3.483 3.108 ( -1.554 4.930 -0.849) 5.239 3.181 ( -0.110 2.604 1.143) 2.846 3.312 ( 1.332 5.923 1.216) 6.191 3.393 ( -0.753 3.524 -1.278) 3.823 3.597 ( -0.341 1.291 -0.008) 1.335 3.627 ( -2.086 -1.737 -1.347) 3.031 10.030 ( 0.180 3.485 -0.206) 3.496 10.057 ( 0.431 1.919 0.058) 1.968 10.962 ( 1.996 -0.296 -0.905) 2.212 10.989 ( -0.084 -0.369 0.602) 0.711 14.725 ( 3.001 5.054 -0.473) 5.897 15.480 ( 0.788 -7.962 1.325) 8.110 17.016 ( 1.967 0.155 -0.003) 1.973 17.272 ( 2.807 -6.629 -0.945) 7.260 31.532 ( -0.963 -0.184 -0.182) 0.997 31.615 ( -0.716 -2.943 0.574) 3.083 33.764 ( -1.719 6.355 0.087) 6.584 33.830 ( -1.749 4.666 -0.416) 5.000 ======================= Grid point 33 (19/195) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.000 14.403 0.000) 14.403 1.317 ( 0.000 15.600 0.000) 15.600 1.394 ( 0.000 -10.580 0.000) 10.580 1.539 ( 0.000 5.497 0.000) 5.497 1.831 ( 0.000 15.807 0.000) 15.807 1.869 ( 0.000 7.143 0.000) 7.143 2.206 ( 0.000 -7.671 0.000) 7.671 2.335 ( 0.000 -7.875 0.000) 7.875 2.348 ( 0.000 7.973 0.000) 7.973 2.422 ( 0.000 1.444 0.000) 1.444 2.893 ( 0.000 0.899 0.000) 0.899 2.898 ( 0.000 -0.439 0.000) 0.439 3.215 ( 0.000 6.936 0.000) 6.936 3.525 ( 0.000 -1.059 0.000) 1.059 3.576 ( 0.000 2.751 0.000) 2.751 3.584 ( 0.000 -2.384 0.000) 2.384 3.717 ( 0.000 -2.255 0.000) 2.255 3.722 ( 0.000 -10.891 0.000) 10.891 9.974 ( 0.000 0.502 0.000) 0.502 10.006 ( 0.000 -0.899 0.000) 0.899 10.510 ( 0.000 0.595 0.000) 0.595 10.555 ( 0.000 -1.367 0.000) 1.367 13.845 ( 0.000 0.332 0.000) 0.332 13.870 ( 0.000 -0.823 0.000) 0.823 16.646 ( 0.000 0.722 0.000) 0.722 16.682 ( 0.000 -0.827 0.000) 0.827 31.707 ( 0.000 -0.295 0.000) 0.295 31.748 ( 0.000 -1.996 0.000) 1.996 34.496 ( 0.000 13.991 0.000) 13.991 34.967 ( 0.000 -7.676 0.000) 7.676 ======================= Grid point 34 (20/195) ======================= q-point: ( 0.09 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 1.750 13.779 2.635) 14.138 1.177 ( -9.113 16.230 -0.251) 18.615 1.390 ( -0.692 -9.385 2.221) 9.669 1.532 ( -3.045 0.414 0.006) 3.073 1.917 ( 6.394 11.252 1.862) 13.075 1.946 ( 6.411 9.914 -0.324) 11.811 2.128 ( -3.778 -0.201 0.633) 3.836 2.366 ( -2.205 -0.897 -1.055) 2.604 2.386 ( 3.767 -0.449 0.262) 3.803 2.424 ( 3.538 -0.193 -0.861) 3.646 2.845 ( -2.215 1.090 -1.918) 3.126 2.918 ( 0.254 -1.534 -0.921) 1.807 3.220 ( 0.221 6.383 0.963) 6.459 3.509 ( -2.806 -0.571 1.453) 3.211 3.554 ( -0.756 0.585 -0.188) 0.974 3.584 ( -2.138 -2.373 2.645) 4.147 3.630 ( -5.741 -4.467 -1.062) 7.352 3.719 ( -0.711 -5.291 -2.344) 5.831 9.982 ( 0.949 0.621 -0.370) 1.193 10.008 ( 0.382 -0.371 0.300) 0.611 10.575 ( 5.284 -0.093 0.980) 5.375 10.616 ( 5.986 -1.632 0.303) 6.212 13.965 ( 10.170 0.834 0.292) 10.209 14.083 ( 19.973 -5.815 5.934) 21.632 16.664 ( 2.216 0.530 -0.642) 2.367 16.703 ( 2.447 -1.097 -0.719) 2.776 31.692 ( -1.481 -0.435 0.046) 1.544 31.728 ( -1.971 -1.840 -0.061) 2.697 34.445 ( -4.992 12.792 -0.522) 13.742 34.829 ( -12.554 -3.805 -2.241) 13.308 ======================= Grid point 35 (21/195) ======================= q-point: ( 0.18 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 1.677 14.312 2.518) 14.628 1.102 ( 0.418 10.134 6.701) 12.157 1.412 ( 1.296 -7.739 2.765) 8.319 1.463 ( -2.457 -2.738 1.101) 3.840 1.916 ( -6.546 5.180 0.100) 8.348 2.022 ( 1.529 5.040 -0.174) 5.269 2.227 ( 6.162 0.619 0.327) 6.201 2.305 ( 1.980 9.256 1.745) 9.624 2.483 ( 3.480 -1.800 -1.933) 4.369 2.507 ( 7.682 -1.051 0.779) 7.793 2.792 ( -1.906 0.638 -2.998) 3.610 2.893 ( -1.706 -2.542 -2.303) 3.830 3.232 ( 0.164 5.433 1.770) 5.717 3.423 ( -6.564 -0.561 1.142) 6.686 3.492 ( -4.948 -1.986 1.359) 5.502 3.559 ( -0.254 -2.095 1.155) 2.405 3.572 ( -1.141 1.068 -1.991) 2.531 3.683 ( -1.423 -4.847 -2.134) 5.484 10.005 ( 1.667 0.959 -0.404) 1.965 10.027 ( 1.396 0.300 0.033) 1.428 10.694 ( 6.444 0.287 0.153) 6.453 10.752 ( 6.900 -2.291 0.901) 7.326 14.221 ( 15.409 3.982 0.326) 15.919 14.560 ( 22.662 -13.559 7.413) 27.429 16.729 ( 4.857 -0.031 -0.422) 4.876 16.771 ( 5.553 -1.892 -1.836) 6.147 31.656 ( -2.276 -0.836 0.306) 2.444 31.677 ( -3.130 -1.423 -0.113) 3.440 34.312 ( -8.124 9.877 -0.861) 12.818 34.524 ( -16.322 2.241 -2.491) 16.662 ======================= Grid point 36 (22/195) ======================= q-point: ( 0.27 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 7.148 6.308 6.337) 11.447 1.206 ( 3.461 4.324 9.725) 11.192 1.423 ( 1.982 -3.405 0.409) 3.961 1.535 ( 5.280 -2.341 5.451) 7.942 1.760 ( -8.962 3.807 0.488) 9.749 1.983 ( -4.341 -1.541 -1.255) 4.774 2.220 ( -0.737 3.016 -1.274) 3.356 2.454 ( 3.189 -1.783 3.234) 4.879 2.573 ( 6.915 4.163 -2.203) 8.367 2.663 ( 6.840 -0.724 -0.756) 6.920 2.740 ( -0.441 0.207 -3.707) 3.739 2.849 ( -0.030 -1.852 -1.650) 2.481 3.241 ( -0.729 4.014 2.600) 4.837 3.312 ( -4.573 0.462 -0.946) 4.692 3.425 ( -3.013 2.766 1.818) 4.476 3.523 ( -1.804 0.594 -2.311) 2.992 3.576 ( 0.768 -1.558 0.329) 1.768 3.646 ( -1.265 -4.556 -1.714) 5.029 10.039 ( 2.029 1.336 -0.346) 2.454 10.056 ( 1.610 1.021 -0.275) 1.926 10.813 ( 5.824 0.587 -0.374) 5.866 10.872 ( 4.983 -2.014 0.659) 5.415 14.516 ( 14.283 6.611 0.307) 15.742 14.961 ( 14.616 -14.477 5.707) 21.349 16.836 ( 6.117 0.007 -0.004) 6.117 16.897 ( 8.592 -3.510 -2.327) 9.569 31.612 ( -2.717 -1.079 0.189) 2.930 31.616 ( -2.684 -1.124 0.301) 2.925 34.142 ( -8.642 6.696 -0.980) 10.977 34.221 ( -13.471 4.865 -1.593) 14.411 ======================= Grid point 37 (23/195) ======================= q-point: ( 0.36 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 5.290 -0.881 6.849) 8.699 1.293 ( 0.471 -1.205 9.197) 9.288 1.509 ( 1.057 4.813 -0.284) 4.935 1.622 ( 2.398 5.739 3.836) 7.307 1.686 ( 2.730 -5.222 3.464) 6.835 1.907 ( -1.285 -6.156 -1.123) 6.388 2.191 ( -1.829 3.299 -0.401) 3.793 2.486 ( -0.514 -6.385 2.128) 6.750 2.586 ( -2.498 0.458 -4.538) 5.200 2.643 ( -2.357 -1.575 -6.659) 7.238 2.823 ( 5.576 1.945 0.359) 5.916 2.933 ( 6.423 -0.187 1.402) 6.577 3.232 ( -1.730 2.092 2.833) 3.924 3.235 ( -2.791 1.959 -1.752) 3.834 3.407 ( 0.354 5.672 1.182) 5.805 3.485 ( -0.536 2.547 -2.265) 3.450 3.593 ( 0.842 -1.592 -0.075) 1.802 3.613 ( -1.300 -3.569 -1.290) 4.011 10.074 ( 1.631 1.726 -0.330) 2.397 10.083 ( 1.216 1.684 -0.232) 2.090 10.906 ( 4.133 0.427 -0.564) 4.194 10.948 ( 2.626 -1.250 0.334) 2.927 14.745 ( 9.130 7.805 0.220) 12.013 15.188 ( 6.917 -12.135 3.333) 14.360 16.951 ( 5.483 0.606 -0.109) 5.517 17.048 ( 7.601 -4.705 -1.552) 9.073 31.560 ( -2.266 -0.305 -0.092) 2.288 31.581 ( -1.580 -1.710 0.646) 2.416 33.982 ( -7.238 4.933 -0.845) 8.800 34.009 ( -7.622 4.061 -0.683) 8.663 ======================= Grid point 38 (24/195) ======================= q-point: ( 0.45 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -1.461 -0.069 3.510) 3.802 1.356 ( 0.361 -0.344 3.248) 3.286 1.480 ( 0.352 3.006 0.025) 3.027 1.716 ( 0.536 -5.087 -1.978) 5.484 1.772 ( 4.841 1.807 4.807) 7.057 1.929 ( 1.758 -4.521 0.643) 4.894 2.158 ( -1.091 2.489 0.061) 2.718 2.468 ( -1.627 -8.889 0.292) 9.042 2.510 ( -1.886 0.434 -2.122) 2.872 2.575 ( -1.104 -2.426 -3.232) 4.189 2.898 ( 1.988 2.881 0.076) 3.501 3.024 ( 2.112 -1.186 0.586) 2.492 3.188 ( -1.163 2.586 -0.566) 2.892 3.215 ( -0.912 0.885 0.817) 1.511 3.437 ( 1.387 5.377 0.659) 5.592 3.477 ( 0.253 4.227 -0.918) 4.333 3.584 ( -0.821 -2.240 -0.686) 2.482 3.604 ( 0.284 -0.975 -0.074) 1.018 10.094 ( 0.587 2.266 -0.207) 2.350 10.099 ( 0.482 1.802 -0.015) 1.866 10.960 ( 1.661 0.124 -0.392) 1.711 10.979 ( 0.613 -0.566 0.216) 0.862 14.863 ( 3.023 8.095 0.081) 8.641 15.282 ( 1.962 -10.473 1.083) 10.710 17.028 ( 2.242 1.084 -0.069) 2.491 17.147 ( 2.944 -5.010 -0.523) 5.834 31.530 ( -0.810 0.052 -0.031) 0.813 31.563 ( -0.571 -1.862 0.275) 1.967 33.880 ( -2.718 4.288 -0.248) 5.083 33.912 ( -2.487 2.728 -0.256) 3.700 ======================= Grid point 44 (25/195) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.000 -12.940 0.000) 12.940 1.144 ( 0.000 12.940 0.000) 12.940 1.548 ( 0.000 -5.412 0.000) 5.412 1.548 ( 0.000 5.412 0.000) 5.412 2.006 ( 0.000 -5.309 0.000) 5.309 2.006 ( 0.000 5.309 0.000) 5.309 2.140 ( 0.000 -8.753 0.000) 8.753 2.140 ( 0.000 8.753 0.000) 8.753 2.446 ( 0.000 -0.703 0.000) 0.703 2.446 ( 0.000 0.703 0.000) 0.703 2.899 ( 0.000 -0.287 0.000) 0.287 2.899 ( 0.000 0.287 0.000) 0.287 3.416 ( 0.000 -11.315 0.000) 11.315 3.416 ( 0.000 11.315 0.000) 11.315 3.544 ( 0.000 -0.743 0.000) 0.743 3.544 ( 0.000 0.743 0.000) 0.743 3.668 ( 0.000 -2.338 0.000) 2.338 3.668 ( 0.000 2.338 0.000) 2.338 9.988 ( 0.000 -0.798 0.000) 0.798 9.988 ( 0.000 0.798 0.000) 0.798 10.528 ( 0.000 -1.127 0.000) 1.127 10.528 ( 0.000 1.127 0.000) 1.127 13.855 ( 0.000 -0.613 0.000) 0.613 13.855 ( 0.000 0.613 0.000) 0.613 16.664 ( 0.000 -0.894 0.000) 0.894 16.664 ( 0.000 0.894 0.000) 0.894 31.715 ( 0.000 -1.052 0.000) 1.052 31.715 ( 0.000 1.052 0.000) 1.052 34.766 ( 0.000 -11.405 0.000) 11.405 34.766 ( 0.000 11.405 0.000) 11.405 ======================= Grid point 46 (26/195) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.664 -12.163 2.790) 12.496 1.158 ( 0.664 12.163 2.790) 12.496 1.449 ( -8.030 -8.787 -0.106) 11.904 1.449 ( -8.030 8.787 -0.106) 11.904 2.060 ( 2.748 -5.062 -0.649) 5.796 2.060 ( 2.748 5.062 -0.649) 5.796 2.176 ( 4.064 -10.333 1.000) 11.148 2.176 ( 4.064 10.333 1.000) 11.148 2.452 ( 0.905 -1.459 0.606) 1.821 2.452 ( 0.905 1.459 0.606) 1.821 2.880 ( -1.472 -2.037 -1.567) 2.962 2.880 ( -1.472 2.037 -1.567) 2.962 3.394 ( -2.226 -9.766 0.097) 10.017 3.394 ( -2.226 9.766 0.097) 10.017 3.530 ( -1.639 -1.227 1.317) 2.435 3.530 ( -1.639 1.227 1.317) 2.435 3.649 ( -1.399 -2.631 -1.256) 3.234 3.649 ( -1.399 2.631 -1.256) 3.234 9.996 ( 0.938 -0.672 -0.036) 1.155 9.996 ( 0.938 0.672 -0.036) 1.155 10.587 ( 5.429 -1.098 0.481) 5.560 10.587 ( 5.429 1.098 0.481) 5.560 13.999 ( 13.477 -2.593 2.471) 13.945 13.999 ( 13.477 2.593 2.471) 13.945 16.681 ( 2.049 -0.985 -0.497) 2.328 16.681 ( 2.049 0.985 -0.497) 2.328 31.698 ( -1.687 -0.947 -0.084) 1.936 31.698 ( -1.687 0.947 -0.084) 1.936 34.685 ( -7.818 -9.556 -1.074) 12.393 34.685 ( -7.818 9.556 -1.074) 12.393 ======================= Grid point 48 (27/195) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -0.368 -9.702 4.123) 10.548 1.192 ( -0.368 9.702 4.123) 10.548 1.334 ( -2.124 -7.733 2.961) 8.549 1.334 ( -2.124 7.733 2.961) 8.549 2.034 ( -4.350 -4.340 -2.090) 6.491 2.034 ( -4.350 4.340 -2.090) 6.491 2.284 ( 4.317 -6.456 2.310) 8.103 2.284 ( 4.317 6.456 2.310) 8.103 2.514 ( 5.747 -2.784 0.686) 6.423 2.514 ( 5.747 2.784 0.686) 6.423 2.830 ( -2.170 -2.978 -2.914) 4.698 2.830 ( -2.170 2.978 -2.914) 4.698 3.344 ( -2.963 -5.218 0.799) 6.054 3.344 ( -2.963 5.218 0.799) 6.054 3.509 ( -1.119 -2.552 1.207) 3.037 3.509 ( -1.119 2.552 1.207) 3.037 3.609 ( -1.641 -2.478 -1.969) 3.565 3.609 ( -1.641 2.478 -1.969) 3.565 10.023 ( 1.849 -0.630 -0.219) 1.966 10.023 ( 1.849 0.630 -0.219) 1.966 10.713 ( 6.787 -1.456 0.453) 6.957 10.713 ( 6.787 1.456 0.453) 6.957 14.341 ( 18.700 -7.722 3.473) 20.528 14.341 ( 18.700 7.722 3.473) 20.528 16.741 ( 4.686 -1.040 -0.831) 4.871 16.741 ( 4.686 1.040 -0.831) 4.871 31.655 ( -2.653 -0.629 -0.026) 2.727 31.655 ( -2.653 0.629 -0.026) 2.727 34.481 ( -11.884 -5.666 -1.484) 13.249 34.481 ( -11.884 5.666 -1.484) 13.249 ======================= Grid point 50 (28/195) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -0.799 -6.528 5.768) 8.748 1.191 ( -0.799 6.528 5.768) 8.748 1.428 ( 6.863 -5.048 6.338) 10.618 1.428 ( 6.863 5.048 6.338) 10.618 1.897 ( -7.854 -6.447 -1.950) 10.346 1.897 ( -7.854 6.447 -1.950) 10.346 2.335 ( 0.099 -7.203 1.325) 7.324 2.335 ( 0.099 7.203 1.325) 7.324 2.643 ( 4.664 -1.942 -1.859) 5.383 2.643 ( 4.664 1.942 -1.859) 5.383 2.788 ( 1.390 -3.638 -1.786) 4.284 2.788 ( 1.390 3.638 -1.786) 4.284 3.297 ( -2.527 -1.735 1.137) 3.269 3.297 ( -2.527 1.735 1.137) 3.269 3.504 ( -0.018 -3.353 0.927) 3.479 3.504 ( -0.018 3.353 0.927) 3.479 3.570 ( -0.958 -1.950 -2.409) 3.244 3.570 ( -0.958 1.950 -2.409) 3.244 10.061 ( 2.170 -0.538 -0.355) 2.264 10.061 ( 2.170 0.538 -0.355) 2.264 10.835 ( 5.568 -1.496 0.143) 5.767 10.835 ( 5.568 1.496 0.143) 5.767 14.696 ( 15.352 -10.601 3.024) 18.900 14.696 ( 15.352 10.601 3.024) 18.900 16.849 ( 6.911 -1.328 -0.887) 7.093 16.849 ( 6.911 1.328 -0.887) 7.093 31.603 ( -2.635 -0.174 0.132) 2.644 31.603 ( -2.635 0.174 0.132) 2.644 34.242 ( -11.565 -2.352 -1.287) 11.871 34.242 ( -11.565 2.352 -1.287) 11.871 ======================= Grid point 52 (29/195) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 1.248 -2.841 8.302) 8.863 1.243 ( 1.248 2.841 8.302) 8.863 1.590 ( 4.173 -3.805 3.391) 6.588 1.590 ( 4.173 3.805 3.391) 6.588 1.768 ( -2.040 -7.195 0.095) 7.479 1.768 ( -2.040 7.195 0.095) 7.479 2.318 ( -2.215 -8.137 0.827) 8.474 2.318 ( -2.215 8.137 0.827) 8.474 2.610 ( -2.718 -1.491 -5.982) 6.738 2.610 ( -2.718 1.491 -5.982) 6.738 2.888 ( 5.888 -3.450 1.158) 6.922 2.888 ( 5.888 3.450 1.158) 6.922 3.255 ( -2.382 -0.138 0.573) 2.453 3.255 ( -2.382 0.138 0.573) 2.453 3.516 ( 0.626 -3.464 0.599) 3.571 3.516 ( 0.626 3.464 0.599) 3.571 3.551 ( 0.403 -1.438 -1.895) 2.412 3.551 ( 0.403 1.438 -1.895) 2.412 10.097 ( 1.712 -0.323 -0.315) 1.770 10.097 ( 1.712 0.323 -0.315) 1.770 10.923 ( 3.497 -1.068 -0.082) 3.657 10.923 ( 3.497 1.068 -0.082) 3.657 14.943 ( 8.813 -10.836 1.917) 14.098 14.943 ( 8.813 10.836 1.917) 14.098 16.978 ( 6.435 -2.157 -0.658) 6.819 16.978 ( 6.435 2.157 -0.658) 6.819 31.560 ( -1.844 -0.415 0.210) 1.902 31.560 ( -1.844 0.415 0.210) 1.902 34.044 ( -8.111 -0.797 -0.824) 8.192 34.044 ( -8.111 0.797 -0.824) 8.192 ======================= Grid point 54 (30/195) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -0.252 -2.967 4.774) 5.627 1.295 ( -0.252 2.967 4.774) 5.627 1.593 ( -0.397 -5.779 -1.888) 6.093 1.593 ( -0.397 5.779 -1.888) 6.093 1.841 ( 3.572 -3.735 2.921) 5.936 1.841 ( 3.572 3.735 2.921) 5.936 2.276 ( -1.782 -8.196 0.193) 8.390 2.276 ( -1.783 8.196 0.193) 8.390 2.534 ( -1.653 -1.581 -3.088) 3.843 2.534 ( -1.653 1.581 -3.088) 3.843 2.972 ( 2.095 -3.527 0.474) 4.130 2.972 ( 2.095 3.527 0.474) 4.130 3.220 ( -1.171 -0.537 -0.012) 1.289 3.220 ( -1.171 0.537 -0.012) 1.289 3.527 ( 0.268 -3.309 0.083) 3.321 3.527 ( 0.268 3.309 0.083) 3.321 3.558 ( 0.634 -3.217 -0.525) 3.320 3.558 ( 0.634 3.217 -0.525) 3.320 10.119 ( 0.647 -0.101 -0.124) 0.666 10.119 ( 0.647 0.101 -0.124) 0.666 10.967 ( 1.182 -0.517 -0.069) 1.292 10.967 ( 1.182 0.517 -0.069) 1.292 15.059 ( 2.750 -10.366 0.646) 10.744 15.059 ( 2.750 10.366 0.646) 10.744 17.066 ( 2.614 -2.736 -0.240) 3.792 17.066 ( 2.614 2.736 -0.240) 3.792 31.537 ( -0.652 -0.719 0.102) 0.975 31.537 ( -0.652 0.719 0.102) 0.975 33.934 ( -2.895 -0.762 -0.282) 3.007 33.934 ( -2.895 0.762 -0.282) 3.007 ======================= Grid point 99 (31/195) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.247 ( -17.751 0.000 12.391) 21.648 0.285 ( 3.710 0.000 13.381) 13.886 0.623 ( 2.189 0.000 29.081) 29.164 1.211 ( -0.576 0.000 -2.579) 2.643 1.238 ( -0.437 0.000 -3.137) 3.167 1.736 ( -1.312 0.000 -10.114) 10.199 1.928 ( 0.699 0.000 7.772) 7.803 2.079 ( 2.026 0.000 5.441) 5.806 2.641 ( -0.131 0.000 -0.979) 0.988 2.711 ( -6.268 0.000 1.429) 6.429 2.908 ( -0.989 0.000 -5.121) 5.215 3.010 ( -0.250 0.000 -0.736) 0.778 3.205 ( 0.201 0.000 0.168) 0.262 3.355 ( -0.445 0.000 2.818) 2.853 3.551 ( -2.431 0.000 -5.703) 6.199 3.638 ( -0.148 0.000 -0.649) 0.666 3.750 ( -23.166 0.000 0.130) 23.166 3.994 ( 23.169 0.000 0.242) 23.170 9.944 ( 0.354 0.000 -0.545) 0.650 9.973 ( -0.339 0.000 0.528) 0.627 10.591 ( 5.060 0.000 -1.108) 5.180 10.639 ( 16.302 0.000 0.719) 16.317 13.929 ( -3.910 0.000 1.904) 4.349 14.165 ( 80.841 0.000 -0.507) 80.843 16.707 ( -1.049 0.000 -0.223) 1.072 16.826 ( -21.090 0.000 -0.248) 21.091 31.855 ( -0.092 0.000 0.504) 0.512 32.266 ( 11.544 0.000 0.018) 11.544 33.406 ( 0.070 0.000 1.632) 1.633 33.843 ( -0.079 0.000 -1.543) 1.545 ======================= Grid point 100 (32/195) ======================= q-point: ( 0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 25.822 0.000 4.402) 26.195 0.599 ( 17.568 0.000 9.172) 19.818 0.876 ( 9.002 0.000 26.781) 28.254 1.219 ( 2.974 0.000 -3.619) 4.684 1.364 ( 15.362 0.000 -4.220) 15.931 1.648 ( -2.111 0.000 -9.121) 9.362 1.973 ( -0.725 0.000 8.510) 8.541 2.122 ( -0.268 0.000 4.020) 4.029 2.601 ( -3.548 0.000 -0.340) 3.564 2.677 ( 1.095 0.000 0.487) 1.199 2.866 ( -0.493 0.000 -6.372) 6.391 2.976 ( -2.741 0.000 -0.984) 2.913 3.196 ( -1.144 0.000 0.151) 1.154 3.278 ( -11.292 0.000 0.814) 11.321 3.352 ( -1.568 0.000 2.977) 3.364 3.612 ( -2.083 0.000 -0.623) 2.174 3.664 ( 0.109 0.000 1.929) 1.932 4.134 ( 0.026 0.000 -6.225) 6.225 9.947 ( 0.235 0.000 -0.682) 0.721 9.973 ( 0.055 0.000 0.668) 0.671 10.618 ( 2.957 0.000 -1.298) 3.229 10.892 ( 7.891 0.000 -4.263) 8.969 13.934 ( 4.287 0.000 -1.156) 4.440 15.551 ( 45.665 0.000 -36.215) 58.282 16.645 ( 7.111 0.000 -3.437) 7.898 16.748 ( 1.821 0.000 1.555) 2.395 31.823 ( -3.354 0.000 0.358) 3.373 32.212 ( -10.081 0.000 5.098) 11.297 33.426 ( 0.909 0.000 2.013) 2.209 33.826 ( -0.722 0.000 -1.914) 2.046 ======================= Grid point 101 (33/195) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 14.821 0.000 10.669) 18.262 0.993 ( 18.081 0.000 6.731) 19.293 1.265 ( 3.509 0.000 -3.662) 5.072 1.368 ( 28.784 0.000 15.874) 32.871 1.548 ( -3.470 0.000 -7.331) 8.110 1.694 ( 19.688 0.000 -3.961) 20.083 1.999 ( -1.407 0.000 7.350) 7.483 2.128 ( -0.369 0.000 1.815) 1.852 2.531 ( -2.432 0.000 -3.634) 4.373 2.692 ( -0.068 0.000 -1.982) 1.983 2.822 ( 0.250 0.000 -5.285) 5.291 2.901 ( -4.123 0.000 -1.330) 4.332 3.140 ( -4.607 0.000 0.439) 4.628 3.164 ( -2.082 0.000 -0.430) 2.126 3.328 ( -2.778 0.000 3.216) 4.250 3.555 ( -3.582 0.000 -0.084) 3.583 3.670 ( -0.796 0.000 1.830) 1.996 4.043 ( -4.996 0.000 -6.012) 7.817 9.944 ( -0.119 0.000 -0.695) 0.706 9.984 ( 0.573 0.000 0.680) 0.889 10.689 ( 5.052 0.000 -1.594) 5.298 10.979 ( 3.795 0.000 -2.433) 4.508 14.071 ( 10.651 0.000 -2.658) 10.978 15.774 ( 2.850 0.000 -10.206) 10.597 16.796 ( 4.324 0.000 -0.561) 4.360 16.898 ( 17.550 0.000 -12.618) 21.615 31.741 ( -4.923 0.000 0.007) 4.923 32.056 ( -9.221 0.000 5.688) 10.834 33.463 ( 1.639 0.000 2.257) 2.790 33.794 ( -1.307 0.000 -2.152) 2.518 ======================= Grid point 102 (34/195) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -0.884 0.000 -1.796) 2.002 1.259 ( 11.870 0.000 11.486) 16.517 1.389 ( 14.103 0.000 3.996) 14.658 1.449 ( -1.519 0.000 -4.695) 4.935 1.982 ( 1.391 0.000 5.995) 6.155 2.013 ( 14.638 0.000 -2.534) 14.856 2.049 ( 26.586 0.000 6.813) 27.445 2.144 ( 1.734 0.000 -0.386) 1.776 2.478 ( 0.059 0.000 -4.750) 4.751 2.642 ( -1.983 0.000 -5.719) 6.053 2.814 ( -3.718 0.000 -1.711) 4.093 2.835 ( 2.551 0.000 -0.675) 2.638 3.088 ( -1.550 0.000 1.271) 2.005 3.113 ( -2.630 0.000 -1.648) 3.104 3.284 ( -3.703 0.000 3.172) 4.876 3.480 ( -4.403 0.000 0.985) 4.512 3.651 ( -2.317 0.000 1.549) 2.787 3.891 ( -6.992 0.000 -5.868) 9.128 9.937 ( -0.165 0.000 -0.544) 0.569 9.999 ( 0.628 0.000 0.527) 0.820 10.784 ( 5.618 0.000 -1.671) 5.861 11.016 ( 1.399 0.000 -1.717) 2.215 14.284 ( 12.344 0.000 -2.260) 12.549 15.728 ( -2.033 0.000 -3.994) 4.482 16.881 ( 4.539 0.000 0.674) 4.589 17.134 ( 13.504 0.000 -9.423) 16.467 31.646 ( -4.633 0.000 -0.244) 4.639 31.921 ( -7.763 0.000 3.776) 8.633 33.513 ( 2.152 0.000 2.357) 3.192 33.752 ( -1.779 0.000 -2.258) 2.875 ======================= Grid point 103 (35/195) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -6.430 0.000 -1.493) 6.601 1.412 ( 0.160 0.000 -2.218) 2.224 1.528 ( 9.631 0.000 8.523) 12.861 1.688 ( 11.934 0.000 3.918) 12.561 1.898 ( -6.482 0.000 -2.057) 6.800 2.180 ( 2.184 0.000 -1.416) 2.603 2.187 ( 5.003 0.000 -5.759) 7.629 2.517 ( 7.309 0.000 -3.533) 8.118 2.579 ( 6.974 0.000 -1.674) 7.172 2.606 ( 12.676 0.000 6.537) 14.262 2.752 ( -1.303 0.000 -2.080) 2.454 2.899 ( 3.905 0.000 1.145) 4.069 3.051 ( -2.261 0.000 -2.886) 3.666 3.086 ( -0.054 0.000 2.020) 2.020 3.224 ( -4.142 0.000 1.929) 4.569 3.407 ( -4.018 0.000 2.666) 4.822 3.602 ( -3.213 0.000 0.692) 3.287 3.723 ( -6.726 0.000 -4.505) 8.096 9.933 ( -0.029 0.000 -0.287) 0.289 10.011 ( 0.366 0.000 0.272) 0.456 10.874 ( 4.590 0.000 -1.747) 4.911 11.021 ( 0.156 0.000 -0.507) 0.530 14.490 ( 9.487 0.000 -0.721) 9.515 15.668 ( -1.877 0.000 -3.418) 3.899 16.970 ( 3.981 0.000 0.945) 4.092 17.308 ( 8.988 0.000 -4.732) 10.157 31.571 ( -2.940 0.000 -0.152) 2.944 31.805 ( -5.951 0.000 1.843) 6.230 33.569 ( 2.158 0.000 2.317) 3.166 33.703 ( -1.878 0.000 -2.239) 2.922 ======================= Grid point 104 (36/195) ======================= q-point: ( 0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -1.646 0.000 1.327) 2.114 1.409 ( 0.401 0.000 -1.149) 1.217 1.661 ( -2.883 0.000 -2.265) 3.666 1.754 ( -2.413 0.000 -2.900) 3.773 1.857 ( 2.963 0.000 1.888) 3.513 2.209 ( 1.596 0.000 -0.266) 1.618 2.223 ( 4.107 0.000 -3.869) 5.643 2.587 ( 0.849 0.000 0.653) 1.072 2.662 ( 6.788 0.000 0.211) 6.791 2.741 ( 1.215 0.000 -2.318) 2.617 2.830 ( 1.854 0.000 3.415) 3.886 3.001 ( 4.089 0.000 -0.071) 4.090 3.003 ( -0.554 0.000 -3.498) 3.541 3.079 ( -2.781 0.000 1.064) 2.978 3.156 ( -2.997 0.000 -0.126) 2.999 3.366 ( -2.157 0.000 4.155) 4.682 3.553 ( -1.583 0.000 0.191) 1.595 3.634 ( 0.485 0.000 0.053) 0.488 9.933 ( 0.179 0.000 0.017) 0.180 10.015 ( -0.053 0.000 -0.027) 0.060 10.934 ( 2.810 0.000 -1.905) 3.395 11.023 ( -0.295 0.000 1.132) 1.170 14.626 ( 4.382 0.000 1.184) 4.539 15.615 ( -1.419 0.000 -4.675) 4.886 17.031 ( 1.450 0.000 1.106) 1.823 17.423 ( 4.988 0.000 -1.546) 5.222 31.537 ( -0.561 0.000 0.341) 0.656 31.719 ( -3.455 0.000 0.069) 3.455 33.602 ( -0.723 0.000 0.990) 1.226 33.673 ( 0.801 0.000 -0.940) 1.235 ======================= Grid point 105 (37/195) ======================= q-point: (-0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 5.031 0.000 3.129) 5.925 1.417 ( 1.134 0.000 -1.030) 1.532 1.440 ( -12.395 0.000 -8.011) 14.758 1.743 ( 0.960 0.000 -6.935) 7.001 1.812 ( -7.402 0.000 0.381) 7.411 2.236 ( 0.186 0.000 0.750) 0.772 2.308 ( 3.382 0.000 1.846) 3.854 2.593 ( -3.228 0.000 -0.692) 3.301 2.690 ( -4.468 0.000 0.000) 4.468 2.757 ( 1.505 0.000 -2.004) 2.506 2.846 ( 0.746 0.000 3.918) 3.988 2.970 ( -6.361 0.000 0.732) 6.403 2.996 ( 2.029 0.000 -3.511) 4.055 3.024 ( -0.741 0.000 -0.832) 1.114 3.127 ( 0.500 0.000 -0.995) 1.113 3.374 ( 0.468 0.000 4.215) 4.241 3.541 ( 0.098 0.000 -0.247) 0.266 3.749 ( 8.456 0.000 3.350) 9.096 9.939 ( 0.339 0.000 0.243) 0.417 10.009 ( -0.456 0.000 -0.251) 0.521 10.967 ( 1.891 0.000 -2.074) 2.806 11.011 ( -2.191 0.000 1.971) 2.947 14.668 ( -1.324 0.000 3.172) 3.437 15.557 ( -1.134 0.000 -7.196) 7.285 17.031 ( -2.135 0.000 1.120) 2.411 17.485 ( 1.936 0.000 0.451) 1.988 31.553 ( 1.729 0.000 1.137) 2.070 31.676 ( -0.662 0.000 -1.679) 1.804 33.562 ( -2.702 0.000 -0.550) 2.757 33.713 ( 2.542 0.000 0.580) 2.607 ======================= Grid point 106 (38/195) ======================= q-point: (-0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -14.703 0.000 -8.476) 16.971 1.224 ( 5.493 0.000 1.934) 5.824 1.420 ( -1.750 0.000 -2.868) 3.360 1.647 ( -7.474 0.000 3.397) 8.210 1.719 ( 1.007 0.000 -7.153) 7.223 2.195 ( -4.476 0.000 -1.000) 4.586 2.272 ( -11.698 0.000 -1.838) 11.841 2.304 ( -17.995 0.000 -2.899) 18.227 2.717 ( 2.980 0.000 6.387) 7.048 2.786 ( 2.919 0.000 -1.379) 3.228 2.856 ( -4.905 0.000 0.288) 4.913 2.895 ( 0.830 0.000 5.807) 5.866 3.023 ( 0.809 0.000 -1.308) 1.538 3.035 ( 3.693 0.000 -3.256) 4.923 3.160 ( 2.925 0.000 0.306) 2.941 3.427 ( 2.688 0.000 3.057) 4.071 3.547 ( 0.939 0.000 -1.781) 2.013 3.936 ( 8.533 0.000 3.110) 9.082 9.948 ( 0.332 0.000 0.206) 0.390 9.997 ( -0.667 0.000 -0.221) 0.703 10.956 ( -4.545 0.000 1.822) 4.896 10.978 ( 0.500 0.000 -2.922) 2.964 14.611 ( -7.065 0.000 5.109) 8.719 15.484 ( -1.022 0.000 -11.489) 11.535 16.967 ( -4.853 0.000 0.863) 4.929 17.511 ( 0.410 0.000 1.546) 1.600 31.612 ( 3.252 0.000 2.060) 3.849 31.672 ( 1.711 0.000 -3.399) 3.805 33.506 ( -2.671 0.000 -0.402) 2.701 33.763 ( 2.329 0.000 0.430) 2.368 ======================= Grid point 107 (39/195) ======================= q-point: (-0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -15.659 0.000 -5.151) 16.484 1.161 ( -14.461 0.000 -2.705) 14.712 1.356 ( 0.549 0.000 -0.101) 0.558 1.662 ( -10.370 0.000 -2.870) 10.760 1.670 ( 4.696 0.000 5.122) 6.949 1.844 ( -15.783 0.000 -2.527) 15.984 2.029 ( -16.285 0.000 -2.025) 16.410 2.074 ( -5.867 0.000 -3.690) 6.931 2.777 ( -3.056 0.000 1.502) 3.405 2.812 ( 1.289 0.000 6.880) 7.000 2.852 ( 4.401 0.000 -0.967) 4.506 2.936 ( 0.144 0.000 1.084) 1.094 3.043 ( 2.351 0.000 -0.052) 2.352 3.089 ( 3.524 0.000 -2.150) 4.128 3.229 ( 3.336 0.000 1.694) 3.741 3.503 ( 3.558 0.000 1.650) 3.922 3.552 ( 1.044 0.000 -2.752) 2.943 4.097 ( 6.717 0.000 1.338) 6.849 9.952 ( 0.077 0.000 -0.298) 0.308 9.984 ( -0.541 0.000 0.273) 0.606 10.862 ( -6.060 0.000 1.293) 6.197 10.946 ( -1.625 0.000 -4.835) 5.100 14.461 ( -11.773 0.000 6.548) 13.471 15.371 ( -2.328 0.000 -19.508) 19.646 16.869 ( -5.347 0.000 0.372) 5.360 17.523 ( 0.156 0.000 0.720) 0.737 31.682 ( 2.617 0.000 -1.280) 2.914 31.707 ( 3.942 0.000 -0.373) 3.959 33.458 ( -2.252 0.000 0.051) 2.252 33.805 ( 1.843 0.000 -0.010) 1.843 ======================= Grid point 108 (40/195) ======================= q-point: (-0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -12.772 0.000 7.382) 14.752 0.811 ( -19.575 0.000 -0.938) 19.597 1.203 ( -28.907 0.000 4.091) 29.195 1.339 ( -2.670 0.000 -0.222) 2.680 1.656 ( -16.584 0.000 -4.816) 17.269 1.800 ( 5.212 0.000 2.082) 5.612 1.804 ( 0.718 0.000 1.027) 1.253 1.960 ( -2.697 0.000 -4.019) 4.840 2.722 ( -2.901 0.000 0.059) 2.901 2.861 ( -0.262 0.000 2.399) 2.413 2.928 ( 0.865 0.000 0.574) 1.038 2.932 ( 4.153 0.000 -0.732) 4.217 3.093 ( 1.359 0.000 2.105) 2.506 3.143 ( 2.925 0.000 -0.899) 3.060 3.295 ( 2.158 0.000 2.376) 3.210 3.563 ( 1.675 0.000 -1.613) 2.325 3.575 ( 3.173 0.000 0.536) 3.218 4.199 ( 3.776 0.000 -2.148) 4.344 9.948 ( -0.110 0.000 -0.713) 0.722 9.979 ( -0.335 0.000 0.685) 0.762 10.747 ( -6.064 0.000 -0.315) 6.073 10.860 ( -4.007 0.000 -6.999) 8.065 14.253 ( -13.380 0.000 6.692) 14.960 15.114 ( -10.528 0.000 -36.197) 37.697 16.779 ( -3.898 0.000 -0.023) 3.898 17.509 ( -1.147 0.000 -5.946) 6.055 31.713 ( 2.393 0.000 -2.384) 3.378 31.793 ( 3.578 0.000 3.177) 4.785 33.423 ( -1.595 0.000 0.596) 1.703 33.833 ( 1.243 0.000 -0.535) 1.354 ======================= Grid point 109 (41/195) ======================= q-point: (-0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -19.058 0.000 3.956) 19.464 0.457 ( -3.062 0.000 25.302) 25.487 0.689 ( -28.219 0.000 8.552) 29.487 1.267 ( -3.677 0.000 -1.210) 3.871 1.346 ( -10.434 0.000 -3.338) 10.955 1.813 ( -0.643 0.000 -9.114) 9.137 1.860 ( 2.197 0.000 5.059) 5.515 1.988 ( 3.680 0.000 5.222) 6.388 2.668 ( -2.213 0.000 -0.959) 2.412 2.820 ( -1.824 0.000 -7.028) 7.261 2.968 ( -0.943 0.000 -1.568) 1.830 2.993 ( 2.401 0.000 -0.630) 2.483 3.186 ( 1.739 0.000 -0.162) 1.746 3.220 ( 15.034 0.000 16.784) 22.532 3.337 ( 0.702 0.000 2.673) 2.763 3.608 ( 3.286 0.000 3.151) 4.552 3.624 ( 1.800 0.000 -0.231) 1.815 4.178 ( -5.027 0.000 -10.041) 11.230 9.943 ( 0.089 0.000 -0.639) 0.645 9.977 ( -0.355 0.000 0.615) 0.710 10.621 ( -7.234 0.000 -7.268) 10.255 10.693 ( -8.778 0.000 -5.285) 10.246 14.051 ( -10.551 0.000 4.950) 11.655 14.367 ( -43.919 0.000 -51.956) 68.031 16.725 ( -1.741 0.000 -0.069) 1.742 17.319 ( -14.363 0.000 -19.506) 24.223 31.792 ( 6.371 0.000 3.309) 7.179 31.895 ( 6.607 0.000 10.121) 12.087 33.405 ( -0.793 0.000 1.143) 1.391 33.846 ( 0.588 0.000 -1.067) 1.218 ======================= Grid point 110 (42/195) ======================= q-point: ( 0.00 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 3.664 10.574 10.781) 15.539 0.544 ( -16.565 19.631 6.128) 26.407 0.900 ( 6.807 22.060 17.930) 29.231 1.296 ( 1.356 5.472 -2.855) 6.319 1.377 ( -2.202 13.251 -2.074) 13.592 1.755 ( -1.710 -1.954 -5.951) 6.492 1.966 ( 0.425 4.712 3.813) 6.076 2.142 ( 1.664 4.120 -1.487) 4.685 2.579 ( 0.257 -4.792 -0.436) 4.819 2.648 ( -5.866 -5.407 1.583) 8.133 2.877 ( -1.959 -1.961 -4.776) 5.522 3.017 ( 1.326 -7.531 4.567) 8.907 3.053 ( 0.779 3.083 0.350) 3.199 3.390 ( 0.095 4.675 2.675) 5.387 3.557 ( 2.372 -0.413 -5.100) 5.640 3.622 ( 0.425 -1.099 0.749) 1.396 3.806 ( -5.903 -0.179 0.294) 5.913 4.096 ( 1.375 1.990 -1.357) 2.773 9.950 ( -0.211 0.205 -0.987) 1.030 10.007 ( -0.532 1.669 -0.947) 1.992 10.564 ( 11.608 -2.617 2.157) 12.094 10.598 ( -0.553 -1.203 0.137) 1.331 13.919 ( -2.632 -1.045 1.937) 3.431 13.996 ( 37.217 -7.381 7.350) 38.647 16.703 ( -3.634 -0.674 0.177) 3.700 16.709 ( -6.582 -4.291 3.943) 8.791 31.836 ( 0.404 -1.954 0.620) 2.090 31.878 ( 2.139 -10.775 7.380) 13.234 33.941 ( -0.009 9.016 -1.393) 9.123 34.443 ( 1.581 38.235 -37.122) 53.315 ======================= Grid point 111 (43/195) ======================= q-point: ( 0.09 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 6.570 4.086 12.449) 14.658 0.687 ( 12.739 7.912 10.800) 18.481 1.211 ( 14.988 21.308 13.667) 29.419 1.299 ( 1.013 6.269 -1.555) 6.538 1.458 ( 11.700 9.465 -3.782) 15.517 1.662 ( -2.439 0.608 -6.850) 7.297 1.991 ( -1.262 2.443 7.624) 8.105 2.145 ( -0.724 1.986 1.437) 2.556 2.570 ( -2.726 -3.782 -0.231) 4.668 2.590 ( 0.804 -5.772 -0.438) 5.844 2.816 ( -1.477 -2.547 -6.193) 6.858 3.031 ( -0.769 -2.191 1.210) 2.619 3.059 ( -1.019 0.666 0.288) 1.251 3.397 ( -1.411 5.235 2.935) 6.166 3.479 ( -6.816 6.085 -3.719) 9.865 3.618 ( -2.044 -0.468 0.987) 2.317 3.672 ( -3.021 1.953 1.692) 3.975 4.073 ( -2.829 -5.576 -3.293) 7.067 9.951 ( 0.531 0.265 -0.589) 0.836 9.989 ( -0.572 1.240 0.176) 1.377 10.613 ( 3.030 -0.513 -1.148) 3.281 10.807 ( 9.310 -6.406 -1.141) 11.358 13.936 ( 4.838 0.201 -0.905) 4.926 15.035 ( 48.163 -34.214 -8.723) 59.719 16.641 ( 3.541 -0.060 -1.004) 3.681 16.733 ( 1.982 -0.944 0.936) 2.386 31.807 ( -3.095 -1.374 0.243) 3.395 31.930 ( -1.494 -13.206 6.462) 14.778 33.920 ( -1.302 8.679 -1.715) 8.942 34.074 ( -15.416 36.113 -15.264) 42.128 ======================= Grid point 112 (44/195) ======================= q-point: ( 0.18 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 21.821 -8.494 10.038) 25.477 0.993 ( 11.983 4.050 11.887) 17.358 1.310 ( 1.658 3.881 -2.779) 5.053 1.525 ( -0.798 0.154 -4.843) 4.911 1.666 ( 21.213 17.815 8.945) 29.110 1.759 ( 15.618 5.595 -3.040) 16.866 2.001 ( -2.520 0.584 7.685) 8.109 2.138 ( -0.188 0.983 0.626) 1.180 2.529 ( -0.723 -0.584 -3.334) 3.461 2.608 ( 1.261 -6.862 -0.214) 6.981 2.740 ( -2.480 -2.659 -7.378) 8.226 3.016 ( -2.286 5.935 -0.328) 6.369 3.025 ( -0.864 -4.657 0.858) 4.814 3.310 ( -6.327 6.654 -2.580) 9.537 3.393 ( -3.095 4.983 3.476) 6.818 3.562 ( -3.803 0.475 0.704) 3.897 3.660 ( -0.694 -0.753 1.447) 1.773 3.971 ( -5.146 -6.370 -4.226) 9.215 9.957 ( 0.371 0.999 -0.718) 1.285 9.989 ( 0.375 0.625 0.518) 0.894 10.686 ( 5.169 -0.213 -1.468) 5.378 10.929 ( 4.858 -4.134 -1.398) 6.530 14.084 ( 11.105 1.332 -2.306) 11.420 15.536 ( 13.009 -20.532 -6.586) 25.183 16.788 ( 4.992 -0.842 -1.535) 5.290 16.815 ( 13.325 -5.132 -4.827) 15.073 31.731 ( -4.615 -0.920 -0.041) 4.706 31.904 ( -4.230 -9.989 4.830) 11.875 33.797 ( -8.313 24.093 -3.120) 25.677 33.875 ( -2.335 7.250 -1.799) 7.826 ======================= Grid point 113 (45/195) ======================= q-point: ( 0.27 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 10.814 -3.353 4.046) 12.023 1.274 ( 8.887 1.609 9.771) 13.305 1.330 ( 8.092 -1.077 1.651) 8.329 1.452 ( -1.679 1.067 -3.628) 4.137 1.969 ( -4.116 -1.826 3.069) 5.449 2.014 ( 10.729 -0.844 -2.539) 11.058 2.107 ( 9.304 3.310 3.215) 10.386 2.229 ( 17.578 8.709 3.910) 20.003 2.509 ( 1.409 2.790 -4.448) 5.437 2.630 ( 0.061 -1.998 -2.563) 3.251 2.651 ( -0.861 -6.308 -4.036) 7.538 2.975 ( -1.149 4.050 0.033) 4.210 3.030 ( 0.631 -0.973 0.885) 1.459 3.183 ( -5.168 4.017 -3.104) 7.244 3.344 ( -4.178 4.392 3.603) 7.052 3.486 ( -4.529 0.468 1.162) 4.699 3.645 ( -1.745 -0.473 1.139) 2.137 3.837 ( -6.082 -4.738 -4.439) 8.897 9.957 ( 0.169 1.741 -0.623) 1.857 10.005 ( 0.767 0.552 0.484) 1.062 10.784 ( 5.661 -0.005 -1.567) 5.874 10.988 ( 2.202 -2.383 -1.208) 3.462 14.306 ( 12.561 2.118 -2.040) 12.901 15.623 ( 1.707 -9.753 -3.484) 10.496 16.873 ( 4.665 -0.679 0.536) 4.745 17.056 ( 13.694 -6.149 -6.294) 16.277 31.641 ( -4.414 -0.465 -0.230) 4.444 31.835 ( -5.096 -6.595 3.197) 8.926 33.686 ( -3.216 13.947 0.483) 14.321 33.814 ( -2.759 5.642 -1.972) 6.583 ======================= Grid point 114 (46/195) ======================= q-point: ( 0.36 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -5.538 4.174 -1.148) 7.029 1.390 ( -0.228 -1.680 -0.974) 1.955 1.534 ( 8.328 0.244 6.828) 10.772 1.649 ( 12.790 -2.500 5.456) 14.128 1.876 ( -5.074 -2.400 -2.277) 6.058 2.112 ( 2.046 -4.323 -2.495) 5.395 2.193 ( 3.200 -0.862 -3.324) 4.694 2.506 ( 2.790 -2.066 -5.556) 6.551 2.573 ( 2.656 0.004 -0.770) 2.765 2.660 ( 8.944 1.971 5.178) 10.521 2.710 ( 8.715 0.868 0.052) 8.758 2.983 ( 1.786 4.746 0.018) 5.071 3.044 ( -0.898 -2.199 0.466) 2.421 3.089 ( -1.531 3.572 -2.198) 4.464 3.278 ( -4.270 3.910 2.115) 6.164 3.415 ( -3.679 0.574 2.635) 4.561 3.607 ( -2.555 0.343 0.225) 2.588 3.700 ( -5.394 -1.949 -3.142) 6.539 9.958 ( 0.202 2.234 -0.330) 2.267 10.020 ( 0.544 0.840 0.293) 1.043 10.875 ( 4.580 0.066 -1.644) 4.867 11.009 ( 0.697 -1.101 -0.320) 1.342 14.514 ( 9.487 2.353 -0.758) 9.803 15.610 ( -0.505 -5.558 -3.359) 6.514 16.964 ( 4.152 -0.473 0.776) 4.250 17.251 ( 9.423 -4.951 -3.474) 11.197 31.569 ( -2.855 -0.183 -0.133) 2.864 31.755 ( -4.539 -4.155 1.616) 6.362 33.658 ( -0.732 7.585 1.507) 7.768 33.752 ( -2.359 4.452 -1.957) 5.405 ======================= Grid point 115 (47/195) ======================= q-point: ( 0.45 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -1.623 5.029 1.035) 5.384 1.375 ( -0.353 -2.718 -0.737) 2.838 1.660 ( -4.144 -0.055 -3.280) 5.286 1.691 ( -0.798 -4.570 -0.304) 4.649 1.890 ( 3.360 1.961 -0.105) 3.892 2.106 ( 0.468 -7.509 -2.003) 7.786 2.233 ( 3.679 -0.839 -1.670) 4.127 2.521 ( 2.365 -5.132 -2.208) 6.067 2.641 ( 2.926 -0.127 4.124) 5.058 2.739 ( 1.026 -1.516 -0.483) 1.893 2.887 ( 5.322 0.837 -0.570) 5.417 2.970 ( -1.926 2.145 -1.576) 3.286 3.049 ( -0.364 -0.872 1.354) 1.651 3.088 ( 0.411 4.867 -1.650) 5.155 3.217 ( -2.545 4.451 0.037) 5.127 3.386 ( -1.422 1.562 4.175) 4.679 3.569 ( -1.033 1.342 0.197) 1.705 3.629 ( 0.191 -0.375 0.211) 0.471 9.961 ( 0.281 2.530 0.014) 2.545 10.027 ( 0.040 1.113 0.060) 1.115 10.934 ( 2.710 0.064 -1.765) 3.234 11.017 ( -0.118 -0.512 1.022) 1.149 14.647 ( 4.255 2.128 0.878) 4.837 15.572 ( -1.025 -4.080 -4.680) 6.293 17.027 ( 1.554 -0.299 0.937) 1.840 17.374 ( 4.852 -4.371 -1.053) 6.615 31.536 ( -0.610 -0.154 0.294) 0.694 31.688 ( -2.833 -2.724 0.100) 3.931 33.653 ( -1.248 4.444 0.672) 4.665 33.719 ( 0.380 4.054 -0.762) 4.143 ======================= Grid point 116 (48/195) ======================= q-point: (-0.45 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 4.036 3.831 2.372) 6.049 1.362 ( -2.204 -3.752 -2.422) 4.980 1.464 ( -7.689 1.023 -5.672) 9.609 1.656 ( -3.988 -5.988 -5.533) 9.076 1.837 ( -5.377 0.505 -3.181) 6.268 2.151 ( 2.354 -6.335 1.429) 6.908 2.292 ( 1.092 -2.335 1.342) 2.906 2.576 ( 3.258 -2.956 1.002) 4.512 2.665 ( -5.967 -1.736 -3.164) 6.974 2.725 ( 1.894 0.687 3.887) 4.378 2.925 ( -3.352 -0.642 2.386) 4.164 2.967 ( 1.894 0.799 -0.888) 2.239 2.984 ( -3.033 3.237 -2.448) 5.067 3.072 ( -0.224 4.070 -1.999) 4.540 3.179 ( -0.583 4.222 -0.845) 4.345 3.402 ( 0.575 2.293 4.157) 4.782 3.559 ( -0.013 1.638 -0.130) 1.643 3.723 ( 6.894 -2.253 3.037) 7.862 9.968 ( 0.288 2.576 0.254) 2.605 10.022 ( -0.493 1.216 -0.119) 1.318 10.963 ( 1.409 -0.310 -1.898) 2.384 11.006 ( -2.108 -0.429 1.719) 2.753 14.684 ( -1.516 1.607 2.639) 3.442 15.515 ( -1.427 -3.963 -7.128) 8.279 17.027 ( -2.143 -0.296 0.964) 2.369 17.426 ( 0.815 -5.176 0.625) 5.277 31.549 ( 1.591 -0.378 0.955) 1.894 31.651 ( -0.587 -2.097 -1.348) 2.561 33.625 ( -1.127 5.546 -0.375) 5.671 33.750 ( 2.401 3.308 0.405) 4.107 ======================= Grid point 117 (49/195) ======================= q-point: (-0.36 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -12.315 -0.460 -8.244) 14.827 1.244 ( 0.369 0.816 0.216) 0.921 1.396 ( -3.857 -1.727 -2.742) 5.038 1.535 ( -1.751 -5.880 1.434) 6.300 1.745 ( -1.034 -0.454 -5.061) 5.186 2.135 ( -4.607 -3.795 -0.809) 6.023 2.253 ( -7.091 -1.628 0.190) 7.278 2.417 ( -14.351 6.996 -3.810) 16.414 2.676 ( 2.309 -3.857 3.313) 5.584 2.769 ( 0.122 1.875 2.921) 3.473 2.858 ( -1.943 -1.149 4.951) 5.441 2.939 ( 0.291 0.516 -0.266) 0.650 2.979 ( -1.107 -0.003 -2.570) 2.798 3.105 ( 4.332 5.050 -2.189) 7.004 3.195 ( 2.607 2.845 -0.294) 3.870 3.454 ( 2.416 2.165 3.300) 4.628 3.561 ( 0.516 1.232 -1.613) 2.094 3.878 ( 6.926 -5.036 3.144) 9.122 9.974 ( 0.127 2.338 0.177) 2.348 10.009 ( -0.816 1.113 -0.064) 1.382 10.946 ( -3.973 -1.032 0.640) 4.154 10.969 ( -0.816 -0.659 -1.674) 1.975 14.619 ( -7.303 0.889 4.422) 8.584 15.429 ( -2.343 -5.167 -11.175) 12.533 16.961 ( -4.940 -0.466 0.743) 5.018 17.417 ( -2.350 -7.934 1.695) 8.447 31.603 ( 3.135 -0.766 1.676) 3.637 31.648 ( 1.369 -1.982 -2.598) 3.543 33.619 ( 0.980 9.530 -0.354) 9.587 33.804 ( 2.908 3.707 0.327) 4.723 ======================= Grid point 118 (50/195) ======================= q-point: (-0.27 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -15.294 1.024 -4.890) 16.090 1.056 ( -15.685 -6.638 -1.637) 17.110 1.367 ( -0.087 1.625 0.279) 1.651 1.608 ( 3.907 -1.953 2.808) 5.192 1.741 ( 2.873 -0.128 -2.414) 3.755 1.952 ( -19.167 9.968 -1.010) 21.628 1.992 ( -10.760 -1.314 -4.464) 11.724 2.163 ( -9.969 6.670 -0.997) 12.036 2.690 ( -1.134 -5.771 1.786) 6.146 2.812 ( 0.715 0.072 6.807) 6.844 2.873 ( -0.879 -2.543 0.631) 2.764 2.940 ( 0.256 2.327 -3.124) 3.903 2.981 ( 2.798 -1.970 2.198) 4.068 3.179 ( 5.096 4.992 -3.031) 7.751 3.269 ( 4.313 3.392 0.932) 5.565 3.525 ( 3.116 1.818 2.413) 4.341 3.556 ( 0.439 0.324 -2.813) 2.866 4.013 ( 5.424 -7.261 2.014) 9.285 9.972 ( -0.229 1.787 -0.415) 1.849 9.994 ( -0.723 0.921 0.433) 1.248 10.850 ( -6.042 -1.102 0.583) 6.169 10.922 ( -2.677 -1.843 -3.625) 4.869 14.461 ( -12.022 0.049 5.817) 13.355 15.275 ( -5.938 -8.644 -18.258) 21.055 16.861 ( -5.444 -0.692 0.331) 5.497 17.355 ( -5.469 -13.132 1.848) 14.345 31.666 ( 2.227 -1.534 -2.166) 3.465 31.685 ( 3.826 -1.618 1.264) 4.342 33.672 ( 5.305 17.075 -0.491) 17.887 33.861 ( 2.842 5.130 -0.053) 5.865 ======================= Grid point 119 (51/195) ======================= q-point: (-0.18 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -10.383 4.392 10.078) 15.121 0.734 ( -16.787 -1.636 0.748) 16.884 1.337 ( -2.881 1.629 -0.544) 3.354 1.453 ( -22.015 16.600 0.731) 27.582 1.727 ( -4.281 1.477 -0.101) 4.530 1.750 ( -8.010 0.249 -2.173) 8.304 1.838 ( 5.395 3.199 2.482) 6.746 2.029 ( -2.050 5.975 -3.686) 7.314 2.663 ( -2.812 -5.142 1.307) 6.005 2.817 ( -2.483 -6.555 -3.907) 8.024 2.860 ( 0.382 -1.169 6.575) 6.689 2.974 ( 3.102 3.376 -0.515) 4.614 3.025 ( 0.055 -2.530 0.936) 2.698 3.275 ( 6.567 5.562 -2.734) 9.030 3.354 ( 3.732 5.207 1.804) 6.656 3.554 ( 1.258 -0.778 -1.836) 2.358 3.598 ( 3.207 1.854 1.857) 4.143 4.103 ( 3.115 -8.092 0.068) 8.672 9.964 ( -0.061 1.396 -0.715) 1.569 9.985 ( -0.623 0.504 0.596) 0.998 10.729 ( -6.302 -1.665 -1.298) 6.647 10.823 ( -5.396 -2.650 -4.358) 7.425 14.245 ( -13.531 -0.726 6.074) 14.849 14.927 ( -18.668 -15.332 -29.629) 38.229 16.770 ( -3.946 -0.837 0.058) 4.034 17.214 ( -10.564 -19.117 0.921) 21.861 31.698 ( 2.474 -1.219 -1.370) 3.080 31.766 ( 3.308 -1.997 2.101) 4.399 33.844 ( 14.200 28.135 -2.862) 31.645 33.912 ( 3.067 8.276 -0.593) 8.846 ======================= Grid point 120 (52/195) ======================= q-point: (-0.09 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -11.667 6.447 5.260) 14.330 0.584 ( 1.306 11.899 20.891) 24.077 1.020 ( -21.943 22.678 3.450) 31.744 1.298 ( -0.679 3.850 -1.401) 4.152 1.506 ( -9.311 12.095 -2.239) 15.428 1.763 ( 1.339 -4.559 0.413) 4.770 1.928 ( 2.661 5.246 0.138) 5.884 2.062 ( 6.099 5.213 -1.116) 8.101 2.605 ( -2.781 -5.377 -0.363) 6.065 2.747 ( -2.974 -6.116 -3.732) 7.757 2.912 ( 1.353 -3.393 3.891) 5.337 2.987 ( -3.312 -3.472 1.721) 5.097 3.027 ( 2.021 2.446 0.000) 3.173 3.363 ( 2.132 4.511 0.964) 5.081 3.468 ( 8.560 4.415 -2.491) 9.948 3.590 ( 2.473 -1.047 0.385) 2.713 3.694 ( 6.671 3.805 5.123) 9.232 4.123 ( -0.633 -4.839 -2.296) 5.393 9.963 ( 0.010 0.873 -1.176) 1.465 9.985 ( 1.061 0.845 0.685) 1.519 10.584 ( -7.737 -2.353 -5.210) 9.620 10.673 ( -6.900 -1.214 -1.309) 7.127 14.039 ( -10.508 -1.134 4.670) 11.555 14.176 ( -36.797 -10.907 -26.473) 46.624 16.716 ( -1.704 -0.835 0.150) 1.904 16.960 ( -15.715 -16.475 1.801) 22.839 31.759 ( 3.775 -2.373 2.837) 5.285 31.828 ( 1.685 -2.754 2.391) 4.017 33.936 ( 1.349 8.422 -1.066) 8.596 34.235 ( 29.182 40.270 -17.989) 52.885 ======================= Grid point 121 (53/195) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.891 13.222 9.940) 16.566 0.964 ( -8.859 19.477 2.982) 21.604 1.350 ( 4.849 15.912 5.925) 17.658 1.467 ( 2.491 11.274 -0.252) 11.549 1.652 ( -1.347 1.926 -0.090) 2.352 1.681 ( -1.244 6.654 1.053) 6.851 2.127 ( -0.020 10.085 0.971) 10.132 2.217 ( 2.159 3.013 -4.205) 5.606 2.460 ( 0.168 -6.513 -0.115) 6.516 2.507 ( -4.489 -7.679 0.642) 8.918 2.848 ( -2.457 -0.543 -3.773) 4.535 2.925 ( 1.508 -2.314 0.757) 2.864 3.128 ( 0.972 4.040 1.299) 4.353 3.497 ( 1.124 4.497 0.846) 4.712 3.534 ( 1.775 -1.438 -3.122) 3.868 3.597 ( 0.180 -1.200 0.497) 1.311 3.774 ( -0.669 -2.289 0.959) 2.571 4.022 ( -3.515 -7.760 3.972) 9.400 9.955 ( -0.160 0.336 -0.825) 0.905 10.020 ( 0.134 -0.266 -0.349) 0.459 10.525 ( 4.486 -0.988 1.646) 4.880 10.576 ( -0.746 -1.083 -0.521) 1.414 13.885 ( 5.657 -1.516 2.797) 6.490 13.919 ( 6.329 -1.567 3.242) 7.282 16.658 ( -2.841 -0.899 1.899) 3.534 16.696 ( -0.608 -0.548 -0.142) 0.830 31.745 ( 0.534 -3.249 1.639) 3.678 31.797 ( -0.217 -2.300 0.250) 2.324 34.187 ( 0.015 13.529 -1.120) 13.575 34.847 ( 0.542 6.772 -18.960) 20.141 ======================= Grid point 122 (54/195) ======================= q-point: ( 0.09 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -5.523 16.743 8.247) 19.465 0.917 ( 5.112 13.482 8.110) 16.543 1.430 ( 0.005 6.881 -0.981) 6.950 1.551 ( 1.046 0.718 -1.151) 1.713 1.691 ( 8.555 14.935 3.530) 17.569 1.744 ( 8.118 10.534 2.374) 13.509 2.089 ( -4.209 6.380 4.520) 8.880 2.213 ( -0.880 4.688 -1.631) 5.041 2.425 ( -0.704 -6.294 -0.093) 6.334 2.511 ( 2.199 -4.439 -1.175) 5.091 2.781 ( -1.991 -0.807 -5.059) 5.496 2.942 ( -0.066 -3.345 -0.457) 3.376 3.148 ( 0.189 4.615 1.371) 4.818 3.500 ( -1.810 2.959 -0.203) 3.475 3.525 ( -1.118 0.554 -2.099) 2.442 3.590 ( -1.230 -1.504 1.537) 2.477 3.717 ( -5.061 0.798 1.314) 5.289 3.916 ( -6.910 -8.932 1.102) 11.346 9.958 ( 0.814 0.511 -0.547) 1.106 10.010 ( -0.420 0.526 -0.164) 0.693 10.598 ( 3.454 -0.827 -0.621) 3.606 10.688 ( 8.800 -4.339 0.790) 9.843 13.946 ( 6.541 0.934 -0.189) 6.610 14.473 ( 34.708 -18.760 4.322) 39.689 16.645 ( 1.735 0.436 0.008) 1.789 16.713 ( 2.003 -0.933 0.092) 2.212 31.752 ( -0.925 -4.819 2.010) 5.302 31.771 ( -2.508 -2.031 0.171) 3.232 34.152 ( -2.852 12.675 -1.247) 13.052 34.584 ( -14.560 13.383 -14.054) 24.261 ======================= Grid point 123 (55/195) ======================= q-point: ( 0.18 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 12.164 7.329 9.488) 17.079 1.114 ( 8.231 7.197 10.740) 15.326 1.414 ( -0.665 5.315 -1.613) 5.594 1.517 ( -1.114 -0.568 -2.354) 2.665 1.859 ( 7.682 3.862 -2.112) 8.853 1.988 ( 2.394 3.919 6.648) 8.080 2.088 ( 7.927 14.089 7.142) 17.673 2.177 ( 0.383 2.158 -2.029) 2.986 2.460 ( 3.587 -2.627 0.206) 4.451 2.545 ( 2.189 -0.780 -1.872) 2.984 2.707 ( -2.238 -0.837 -6.548) 6.971 2.922 ( -1.228 -4.459 -0.859) 4.704 3.150 ( -0.541 6.083 0.910) 6.174 3.396 ( -6.508 1.380 -4.167) 7.850 3.483 ( -3.643 2.785 2.718) 5.331 3.565 ( -2.947 -0.175 1.805) 3.460 3.648 ( -2.223 -0.588 1.100) 2.549 3.807 ( -4.635 -8.277 -0.891) 9.528 9.977 ( 1.314 0.900 -0.485) 1.665 10.009 ( 0.415 1.059 -0.053) 1.139 10.682 ( 5.530 -0.079 -1.073) 5.634 10.836 ( 6.349 -4.185 -0.125) 7.605 14.131 ( 12.518 3.260 -1.343) 13.005 15.058 ( 22.817 -22.088 -0.124) 31.757 16.740 ( 8.580 -1.822 -1.619) 8.920 16.769 ( 3.733 -1.071 0.189) 3.888 31.706 ( -3.895 -1.485 -0.082) 4.169 31.738 ( -1.995 -5.436 2.179) 6.187 34.069 ( -4.866 10.496 -1.313) 11.643 34.236 ( -14.207 15.617 -6.396) 22.060 ======================= Grid point 124 (56/195) ======================= q-point: ( 0.27 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 16.425 -1.545 8.229) 18.436 1.332 ( 6.221 3.737 9.442) 11.908 1.379 ( 0.022 3.940 -1.829) 4.343 1.505 ( 0.944 3.939 -0.682) 4.107 1.911 ( -5.610 -4.561 3.787) 8.162 1.969 ( 2.558 -2.203 -2.769) 4.367 2.163 ( 1.076 2.155 0.455) 2.452 2.422 ( 13.379 7.874 2.199) 15.679 2.528 ( 1.382 -2.240 -0.406) 2.663 2.579 ( 3.864 1.714 -3.902) 5.752 2.646 ( 1.805 2.549 -3.318) 4.557 2.910 ( 0.727 -5.080 0.381) 5.146 3.145 ( -0.176 6.766 -0.359) 6.777 3.251 ( -5.549 2.301 -3.135) 6.776 3.422 ( -4.499 2.497 3.642) 6.304 3.495 ( -4.589 0.386 0.846) 4.682 3.629 ( -0.871 -1.295 0.390) 1.609 3.723 ( -3.572 -5.320 -1.472) 6.575 9.999 ( 1.196 1.905 -0.594) 2.327 10.024 ( 1.033 1.313 0.219) 1.685 10.786 ( 5.732 0.280 -1.243) 5.872 10.930 ( 3.764 -2.811 -0.474) 4.722 14.377 ( 13.210 4.818 -1.460) 14.137 15.347 ( 9.293 -15.469 -1.898) 18.145 16.856 ( 5.034 -0.847 0.267) 5.112 16.933 ( 11.735 -4.794 -2.034) 12.839 31.628 ( -3.865 -0.747 -0.153) 3.939 31.705 ( -2.619 -5.112 1.809) 6.022 33.957 ( -6.284 8.576 -1.195) 10.699 33.990 ( -8.543 11.843 -2.147) 14.760 ======================= Grid point 125 (57/195) ======================= q-point: ( 0.36 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -3.652 5.955 -1.314) 7.108 1.365 ( -0.091 -0.324 3.285) 3.302 1.518 ( 6.811 -1.196 4.867) 8.456 1.645 ( 9.890 2.317 5.659) 11.628 1.796 ( -4.289 -4.943 -2.549) 7.023 2.004 ( 1.338 -6.142 -2.566) 6.790 2.170 ( -0.092 -0.513 -1.104) 1.221 2.464 ( -1.027 -0.983 -6.053) 6.218 2.572 ( 1.616 -0.897 -0.186) 1.857 2.640 ( 3.678 -1.863 1.871) 4.527 2.786 ( 7.016 2.276 -0.200) 7.378 2.966 ( 4.491 -1.713 1.596) 5.064 3.107 ( -2.233 4.576 -3.190) 6.008 3.199 ( 0.426 6.084 0.692) 6.138 3.356 ( -3.819 3.306 2.384) 5.585 3.429 ( -2.394 1.022 1.723) 3.121 3.608 ( -1.238 -0.529 -0.892) 1.615 3.655 ( -2.679 -2.100 -0.397) 3.427 10.016 ( 0.877 2.942 -0.351) 3.090 10.046 ( 0.966 1.604 0.291) 1.895 10.878 ( 4.505 0.316 -1.317) 4.704 10.980 ( 1.829 -1.491 -0.134) 2.363 14.592 ( 9.460 5.211 -0.885) 10.836 15.441 ( 2.919 -10.234 -3.004) 11.058 16.954 ( 4.629 -0.387 0.444) 4.667 17.131 ( 9.355 -5.694 -1.231) 11.021 31.564 ( -2.616 -0.264 -0.068) 2.630 31.662 ( -2.607 -4.127 1.058) 4.995 33.832 ( -5.100 7.784 -0.045) 9.307 33.872 ( -3.983 6.507 -1.250) 7.731 ======================= Grid point 126 (58/195) ======================= q-point: ( 0.45 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -2.085 4.568 -1.632) 5.280 1.336 ( -2.421 0.875 2.111) 3.329 1.577 ( -5.048 -5.462 -1.160) 7.527 1.679 ( -0.136 1.432 -2.685) 3.046 1.888 ( 7.882 -5.253 0.190) 9.474 1.953 ( -4.633 -3.672 -4.512) 7.437 2.180 ( 2.082 -3.373 -0.030) 3.964 2.453 ( 2.813 -0.747 -1.550) 3.297 2.613 ( 1.189 -3.746 2.633) 4.730 2.674 ( 0.087 -4.271 0.734) 4.334 2.861 ( 2.485 -0.304 -0.765) 2.618 3.038 ( 0.868 0.016 0.334) 0.930 3.074 ( 0.268 4.967 -1.666) 5.245 3.196 ( -1.570 4.505 0.117) 4.772 3.327 ( -0.886 5.765 0.338) 5.843 3.425 ( 0.103 2.365 3.394) 4.138 3.591 ( 0.691 0.187 -0.343) 0.794 3.621 ( -0.846 -0.223 0.845) 1.217 10.028 ( 0.546 3.504 0.042) 3.546 10.060 ( 0.268 1.961 0.226) 1.992 10.937 ( 2.454 0.254 -1.361) 2.817 11.003 ( 0.302 -0.836 0.633) 1.092 14.719 ( 3.885 4.749 0.015) 6.136 15.445 ( 0.022 -7.866 -4.502) 9.063 17.022 ( 1.833 -0.006 0.615) 1.934 17.261 ( 4.358 -5.864 -0.069) 7.307 31.532 ( -0.709 -0.170 0.187) 0.753 31.622 ( -1.753 -3.132 0.123) 3.591 33.767 ( -1.892 5.852 0.172) 6.152 33.820 ( -0.806 4.941 -0.503) 5.031 ======================= Grid point 127 (59/195) ======================= q-point: (-0.45 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.675 -0.420 -2.946) 3.051 1.315 ( -1.962 0.603 0.751) 2.186 1.448 ( -4.465 -2.466 -3.059) 5.947 1.574 ( -6.742 -0.045 -8.673) 10.985 1.807 ( -6.250 -3.531 -4.911) 8.698 2.022 ( 4.571 -5.537 1.677) 7.373 2.209 ( -0.150 -4.390 1.396) 4.609 2.533 ( 3.465 -1.167 1.093) 3.816 2.602 ( -0.414 -4.179 -1.602) 4.495 2.728 ( 2.788 -1.138 5.774) 6.512 2.880 ( -0.501 -1.335 0.056) 1.428 2.993 ( -5.212 1.559 -1.291) 5.591 3.088 ( 1.647 4.494 -2.126) 5.237 3.167 ( -0.364 4.422 -0.417) 4.456 3.291 ( -2.205 6.227 -0.508) 6.625 3.456 ( 0.868 2.728 3.558) 4.567 3.597 ( -0.230 1.535 0.087) 1.554 3.667 ( 3.833 -2.870 2.307) 5.315 10.036 ( 0.104 3.542 0.301) 3.556 10.058 ( -0.598 2.088 0.148) 2.177 10.957 ( 0.280 -0.215 -1.344) 1.389 10.994 ( -1.724 -0.656 0.976) 2.087 14.740 ( -2.035 3.822 1.138) 4.477 15.393 ( -2.175 -7.528 -6.683) 10.299 17.023 ( -2.192 0.047 0.677) 2.294 17.294 ( -1.126 -6.723 0.981) 6.887 31.540 ( 1.253 -0.479 0.551) 1.450 31.600 ( -0.290 -2.457 -0.731) 2.579 33.763 ( 1.648 6.815 -0.008) 7.011 33.835 ( 2.399 4.366 0.082) 4.982 ======================= Grid point 128 (60/195) ======================= q-point: (-0.36 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -8.927 -1.256 -9.198) 12.878 1.189 ( -9.297 -4.847 -2.771) 10.845 1.430 ( 1.477 4.809 2.160) 5.475 1.475 ( 1.763 0.261 -1.920) 2.620 1.691 ( -1.822 -4.392 -5.302) 7.122 2.037 ( -2.803 -5.359 -0.960) 6.124 2.220 ( -0.130 -1.193 2.565) 2.832 2.496 ( -4.611 -0.419 -3.989) 6.111 2.643 ( -0.545 1.230 4.024) 4.243 2.820 ( 2.384 -1.584 6.102) 6.740 2.837 ( -4.684 -0.898 1.666) 5.053 2.861 ( -3.749 0.208 -2.646) 4.593 3.080 ( -0.159 5.287 -3.734) 6.475 3.204 ( 3.250 3.935 -0.389) 5.119 3.272 ( 1.495 4.529 -0.571) 4.804 3.502 ( 1.926 2.156 3.116) 4.251 3.588 ( -0.610 1.055 -0.895) 1.512 3.757 ( 3.741 -5.726 3.065) 7.495 10.034 ( -0.533 3.029 0.063) 3.076 10.041 ( -1.146 1.940 0.338) 2.278 10.921 ( -3.686 -1.041 -0.461) 3.858 10.955 ( -2.443 -0.723 -0.470) 2.590 14.654 ( -7.952 2.569 2.453) 8.710 15.277 ( -5.463 -9.029 -9.885) 14.460 16.952 ( -5.224 -0.232 0.544) 5.257 17.233 ( -5.969 -8.523 1.874) 10.573 31.583 ( 2.779 -1.065 0.826) 3.089 31.604 ( 1.177 -2.002 -1.163) 2.597 33.839 ( 6.466 9.916 -0.038) 11.838 33.905 ( 4.641 5.466 0.039) 7.170 ======================= Grid point 129 (61/195) ======================= q-point: (-0.27 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -11.965 2.697 -2.486) 12.515 0.991 ( -9.780 1.057 -2.265) 10.095 1.434 ( -2.220 3.821 -0.579) 4.457 1.543 ( 3.742 -4.433 2.471) 6.305 1.712 ( 5.495 -1.386 -1.915) 5.982 1.960 ( -3.078 -0.032 -3.657) 4.780 2.175 ( -7.178 8.049 -0.397) 10.792 2.312 ( -11.072 6.122 -1.086) 12.698 2.598 ( -3.409 -1.773 2.817) 4.765 2.752 ( -5.044 -6.426 -0.453) 8.182 2.823 ( 0.013 -0.326 3.319) 3.335 2.921 ( 3.293 -1.356 2.928) 4.611 3.065 ( 0.894 5.973 -3.246) 6.856 3.259 ( 3.978 3.062 -1.716) 5.305 3.347 ( 5.718 2.943 -0.831) 6.484 3.561 ( 1.413 0.526 -0.533) 1.599 3.565 ( 0.098 1.247 1.410) 1.885 3.841 ( 3.078 -8.001 3.293) 9.183 10.013 ( -1.250 1.748 -0.172) 2.156 10.024 ( -1.061 1.940 0.297) 2.231 10.822 ( -6.034 -1.228 -0.618) 6.189 10.885 ( -4.329 -1.579 -1.512) 4.849 14.470 ( -12.778 1.001 3.679) 13.335 15.044 ( -12.520 -12.283 -14.283) 22.619 16.846 ( -5.772 -0.632 0.317) 5.815 17.096 ( -9.314 -9.965 2.590) 13.884 31.629 ( 2.199 -1.626 -1.159) 2.970 31.651 ( 3.468 -1.596 1.066) 3.963 33.991 ( 6.441 8.634 -0.028) 10.772 34.034 ( 12.193 13.153 -0.908) 17.958 ======================= Grid point 130 (62/195) ======================= q-point: (-0.18 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -3.029 10.894 10.606) 15.503 0.809 ( -6.503 8.165 -0.426) 10.447 1.395 ( -0.541 2.602 -0.859) 2.793 1.599 ( 0.423 -5.202 2.816) 5.931 1.776 ( -4.772 7.379 -2.270) 9.076 1.877 ( -4.210 6.881 -2.388) 8.413 1.961 ( -4.934 10.966 1.355) 12.101 2.192 ( -1.857 7.954 -2.193) 8.457 2.544 ( -4.210 -5.067 1.944) 6.868 2.667 ( -3.108 -7.417 -0.537) 8.060 2.845 ( 0.291 -0.514 3.124) 3.179 2.968 ( 0.221 -2.216 0.468) 2.276 3.075 ( 1.557 5.433 -1.670) 5.894 3.347 ( 6.372 2.060 -3.053) 7.359 3.458 ( 5.685 2.963 0.042) 6.411 3.536 ( -0.342 -0.381 -1.751) 1.824 3.630 ( 3.068 0.737 2.807) 4.224 3.914 ( 2.616 -8.830 3.552) 9.870 9.994 ( -0.539 1.114 0.070) 1.240 10.001 ( -1.306 1.082 -0.342) 1.730 10.690 ( -6.782 -1.471 -1.901) 7.195 10.774 ( -6.336 -2.003 -1.262) 6.764 14.228 ( -14.102 -0.635 4.224) 14.735 14.603 ( -24.091 -13.518 -17.269) 32.578 16.749 ( -4.212 -0.932 0.338) 4.327 16.924 ( -9.854 -8.480 2.883) 13.316 31.670 ( 2.465 -1.229 -0.347) 2.776 31.722 ( 3.216 -2.083 0.857) 3.926 34.094 ( 4.815 10.409 -0.516) 11.480 34.345 ( 20.752 15.692 -3.816) 26.296 ======================= Grid point 131 (63/195) ======================= q-point: (-0.09 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -4.617 11.863 5.687) 13.942 0.906 ( 7.209 17.028 11.739) 21.903 1.393 ( -1.366 5.816 -1.540) 6.170 1.498 ( -11.346 18.081 0.308) 21.348 1.643 ( 0.091 -4.387 2.120) 4.873 1.768 ( -6.078 11.072 -0.214) 12.632 2.053 ( 6.652 5.741 1.284) 8.880 2.183 ( 2.555 7.043 -4.128) 8.554 2.478 ( -2.417 -6.239 -0.557) 6.714 2.603 ( -4.491 -7.534 0.908) 8.817 2.872 ( 1.090 -0.750 1.483) 1.987 2.935 ( -2.579 -1.785 -1.980) 3.709 3.101 ( 1.364 4.433 0.298) 4.648 3.446 ( 4.936 2.283 -2.490) 5.981 3.515 ( 0.896 1.685 -0.671) 2.023 3.566 ( 3.176 -1.137 -0.438) 3.402 3.722 ( 4.290 -0.849 2.960) 5.281 3.988 ( 2.586 -7.870 4.684) 9.517 9.973 ( -1.124 0.361 -0.727) 1.386 10.000 ( 1.203 0.400 0.032) 1.268 10.552 ( -5.697 -0.642 -2.012) 6.076 10.645 ( -5.829 -1.517 -0.305) 6.031 14.002 ( -14.121 -2.446 0.143) 14.332 14.033 ( -18.351 -3.191 -6.390) 19.692 16.692 ( -2.167 -1.180 0.846) 2.608 16.771 ( -7.184 -4.010 2.080) 8.486 31.715 ( 1.873 -1.678 0.760) 2.627 31.777 ( 1.946 -2.314 0.515) 3.067 34.165 ( 2.849 12.661 -0.884) 13.008 34.721 ( 20.158 10.093 -11.941) 25.511 ======================= Grid point 132 (64/195) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.828 13.235 8.438) 15.718 1.332 ( -4.564 14.670 1.421) 15.430 1.439 ( 0.625 -8.343 3.267) 8.982 1.550 ( 0.813 4.747 0.600) 4.854 1.840 ( 3.476 12.198 1.683) 12.795 1.906 ( -1.920 10.653 2.634) 11.141 2.219 ( -0.349 -5.487 1.219) 5.632 2.321 ( 0.075 -2.142 -1.314) 2.514 2.341 ( 1.400 0.479 -0.861) 1.712 2.372 ( -0.207 1.189 -3.018) 3.250 2.857 ( -2.363 1.233 -2.870) 3.917 2.896 ( 0.679 -0.762 -0.676) 1.224 3.234 ( 0.265 6.580 1.506) 6.756 3.487 ( 1.686 -2.350 -4.090) 5.009 3.560 ( 1.322 -0.201 0.591) 1.463 3.594 ( -0.377 1.973 1.595) 2.565 3.720 ( 0.063 -2.829 0.964) 2.989 3.817 ( -4.063 -10.467 5.001) 12.292 9.966 ( -0.025 0.675 -0.623) 0.919 10.005 ( 0.272 -0.975 -0.157) 1.025 10.517 ( 1.693 0.149 0.614) 1.807 10.552 ( -0.113 -1.200 -0.309) 1.245 13.869 ( 3.568 -0.155 1.941) 4.064 13.893 ( 2.066 -1.063 2.054) 3.101 16.654 ( -0.965 0.286 0.648) 1.197 16.682 ( -0.555 -0.759 -0.052) 0.942 31.708 ( -0.015 -0.588 0.085) 0.595 31.749 ( -0.110 -2.079 0.094) 2.084 34.475 ( 0.053 13.253 -1.834) 13.380 34.865 ( 0.211 -3.729 -8.748) 9.512 ======================= Grid point 133 (65/195) ======================= q-point: ( 0.09 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -1.717 14.081 7.976) 16.274 1.220 ( -3.656 14.294 4.073) 15.306 1.456 ( -0.739 -7.207 2.765) 7.754 1.534 ( -2.554 1.726 0.029) 3.083 1.911 ( 2.765 7.552 -1.240) 8.137 1.996 ( 6.174 9.622 3.799) 12.047 2.167 ( -2.091 -2.760 2.294) 4.153 2.313 ( -0.176 6.445 -1.700) 6.668 2.387 ( 4.422 -6.259 -0.309) 7.670 2.421 ( 3.561 4.784 1.058) 6.057 2.787 ( -2.867 1.421 -3.993) 5.117 2.887 ( -0.977 -2.287 -1.928) 3.147 3.250 ( 0.455 5.355 1.648) 5.621 3.471 ( -0.995 -2.977 -4.899) 5.818 3.561 ( -2.164 -0.484 1.657) 2.768 3.585 ( -0.986 2.285 1.329) 2.821 3.696 ( -4.290 -2.709 1.306) 5.239 3.720 ( -5.647 -8.603 2.915) 10.695 9.972 ( 0.988 0.815 -0.517) 1.381 10.009 ( 0.429 -0.557 -0.239) 0.743 10.585 ( 4.468 -0.161 -0.035) 4.471 10.625 ( 6.906 -2.015 0.385) 7.204 13.980 ( 9.557 2.423 0.915) 9.901 14.195 ( 22.204 -9.111 4.080) 24.345 16.658 ( 1.501 0.720 0.066) 1.667 16.694 ( 1.774 -0.935 -0.142) 2.010 31.695 ( -1.301 -1.049 0.237) 1.688 31.728 ( -2.048 -1.898 0.034) 2.793 34.417 ( -4.777 11.885 -1.905) 12.950 34.711 ( -10.097 0.071 -8.057) 12.918 ======================= Grid point 134 (66/195) ======================= q-point: ( 0.18 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 2.232 12.998 6.007) 14.492 1.281 ( 4.051 8.375 9.331) 13.176 1.424 ( -2.297 -4.422 -0.466) 5.005 1.535 ( 1.968 -0.066 3.342) 3.879 1.908 ( -3.142 2.415 -0.900) 4.064 2.026 ( -3.090 0.576 0.439) 3.174 2.206 ( 2.033 2.609 -0.382) 3.330 2.388 ( 8.113 11.568 4.886) 14.951 2.453 ( 2.634 -2.284 -0.428) 3.513 2.530 ( 6.688 1.183 1.362) 6.927 2.703 ( -2.780 0.684 -5.593) 6.283 2.837 ( -2.281 -3.814 -3.255) 5.509 3.268 ( 0.372 4.904 1.470) 5.133 3.384 ( -4.765 -1.649 -3.938) 6.398 3.514 ( -3.338 0.861 1.826) 3.901 3.562 ( -2.620 0.011 1.040) 2.819 3.605 ( -3.461 -3.783 1.670) 5.393 3.669 ( -2.369 -4.362 0.418) 4.981 9.996 ( 1.772 0.981 -0.419) 2.068 10.023 ( 1.255 0.141 -0.348) 1.310 10.688 ( 6.093 0.780 -0.573) 6.170 10.763 ( 6.839 -2.780 0.052) 7.383 14.227 ( 15.001 6.107 -0.014) 16.196 14.661 ( 22.303 -15.603 1.913) 27.287 16.723 ( 5.538 -0.038 -0.211) 5.542 16.748 ( 3.956 -0.958 -0.124) 4.072 31.664 ( -2.072 -1.575 0.442) 2.639 31.677 ( -3.095 -1.429 0.127) 3.412 34.283 ( -7.806 9.177 -1.681) 12.164 34.437 ( -13.308 4.010 -5.158) 14.825 ======================= Grid point 135 (67/195) ======================= q-point: ( 0.27 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 8.779 4.469 7.062) 12.121 1.396 ( 0.161 -0.722 4.030) 4.098 1.452 ( 6.680 4.675 5.090) 9.611 1.607 ( 3.029 3.819 1.365) 5.062 1.802 ( -7.364 -3.040 3.078) 8.541 1.935 ( -4.531 -2.082 -2.965) 5.802 2.220 ( -0.605 4.432 1.109) 4.609 2.495 ( 1.376 -1.687 -0.402) 2.214 2.540 ( 2.526 1.585 -0.461) 3.017 2.582 ( -1.279 -0.697 -5.862) 6.040 2.706 ( 6.414 2.361 0.266) 6.840 2.823 ( 4.418 -2.300 -0.943) 5.069 3.264 ( -2.431 3.937 -1.696) 4.928 3.296 ( -1.426 2.417 1.268) 3.080 3.465 ( -2.939 2.537 2.356) 4.541 3.497 ( -3.495 -0.125 -0.266) 3.507 3.582 ( -0.236 -3.085 0.019) 3.094 3.631 ( -1.735 -3.725 0.120) 4.111 10.032 ( 2.097 1.361 -0.309) 2.519 10.051 ( 1.677 0.859 -0.222) 1.897 10.799 ( 5.704 1.098 -0.828) 5.867 10.876 ( 4.915 -2.350 -0.314) 5.457 14.513 ( 14.178 8.261 -0.751) 16.427 15.016 ( 14.001 -15.274 -0.547) 20.727 16.841 ( 5.681 -0.458 0.110) 5.700 16.863 ( 8.796 -2.005 -0.289) 9.026 31.613 ( -3.130 -0.648 0.012) 3.196 31.630 ( -2.205 -2.121 0.738) 3.148 34.116 ( -8.301 6.406 -1.325) 10.569 34.175 ( -11.307 5.099 -2.494) 12.651 ======================= Grid point 136 (68/195) ======================= q-point: ( 0.36 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 1.635 1.204 6.034) 6.366 1.416 ( 0.047 3.798 0.364) 3.816 1.515 ( -1.288 0.910 4.275) 4.557 1.684 ( -4.002 -4.603 -3.049) 6.819 1.719 ( 6.316 3.470 3.606) 8.059 1.879 ( 0.522 -4.963 -2.288) 5.489 2.196 ( -2.075 3.457 -0.259) 4.040 2.469 ( -0.923 1.155 -4.651) 4.881 2.512 ( -2.503 -6.722 -1.745) 7.382 2.559 ( 0.688 -3.775 0.485) 3.868 2.826 ( 5.160 2.944 -0.072) 5.941 2.952 ( 6.298 -0.970 0.359) 6.383 3.202 ( -2.295 4.262 -1.080) 4.959 3.289 ( -1.946 1.630 2.349) 3.459 3.430 ( -0.675 4.152 0.793) 4.281 3.466 ( 0.095 2.608 0.737) 2.712 3.579 ( -0.194 -2.248 -1.127) 2.523 3.608 ( -0.606 -2.634 0.690) 2.789 10.069 ( 1.706 1.946 -0.131) 2.591 10.081 ( 1.429 1.408 0.090) 2.008 10.891 ( 4.211 0.904 -0.900) 4.400 10.948 ( 2.843 -1.571 -0.269) 3.259 14.736 ( 9.265 8.496 -1.147) 12.623 15.199 ( 6.407 -12.323 -2.309) 14.080 16.953 ( 5.386 0.373 0.272) 5.406 17.031 ( 8.032 -3.745 0.054) 8.863 31.560 ( -2.263 -0.072 0.049) 2.264 31.594 ( -1.861 -2.246 0.536) 2.966 33.964 ( -6.522 4.761 -0.770) 8.112 33.991 ( -6.702 3.969 -0.970) 7.849 ======================= Grid point 137 (69/195) ======================= q-point: ( 0.45 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -6.328 1.663 -3.135) 7.255 1.403 ( -5.679 -0.341 1.175) 5.809 1.497 ( -1.483 1.090 0.514) 1.911 1.700 ( 4.788 -3.173 0.946) 5.822 1.758 ( -2.589 -0.934 -5.886) 6.498 1.897 ( 1.562 -3.481 -3.805) 5.389 2.160 ( -0.731 2.265 0.079) 2.381 2.454 ( -0.915 -6.563 -2.152) 6.967 2.480 ( 2.126 -0.629 1.802) 2.858 2.599 ( 2.435 -3.221 3.797) 5.543 2.893 ( 1.905 2.940 -0.524) 3.542 3.023 ( 1.231 -1.702 -0.726) 2.222 3.169 ( -0.605 4.034 -0.509) 4.111 3.254 ( -2.189 0.899 1.948) 3.065 3.442 ( 0.309 4.826 -0.072) 4.837 3.489 ( 1.105 3.542 1.687) 4.075 3.572 ( 0.583 -1.679 -0.226) 1.792 3.611 ( 0.095 -1.235 0.807) 1.478 10.093 ( 0.836 2.386 0.157) 2.533 10.102 ( 0.522 1.733 0.298) 1.834 10.946 ( 2.044 0.582 -0.868) 2.295 10.983 ( 0.824 -1.018 0.084) 1.312 14.849 ( 3.292 7.696 -1.240) 8.462 15.252 ( 1.320 -10.165 -3.817) 10.938 17.032 ( 2.243 1.034 0.478) 2.516 17.147 ( 3.574 -4.667 0.550) 5.904 31.530 ( -0.786 0.086 0.092) 0.796 31.567 ( -1.084 -2.000 0.093) 2.277 33.876 ( -2.183 4.111 -0.111) 4.656 33.905 ( -1.893 2.801 -0.359) 3.400 ======================= Grid point 138 (70/195) ======================= q-point: (-0.45 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -1.334 -1.314 -5.258) 5.581 1.253 ( -7.330 -5.315 -5.538) 10.614 1.507 ( 1.387 5.866 1.324) 6.171 1.614 ( -5.440 2.802 -8.608) 10.562 1.714 ( -4.373 -3.893 -3.665) 6.908 1.900 ( 1.348 -6.436 -0.219) 6.580 2.173 ( 1.343 1.633 1.469) 2.574 2.430 ( 0.436 -7.883 -2.913) 8.415 2.581 ( 4.962 1.757 4.693) 7.052 2.686 ( 3.288 -2.500 5.862) 7.171 2.889 ( -1.996 1.925 -0.874) 2.907 2.998 ( -2.946 -1.381 -2.002) 3.820 3.172 ( 0.936 3.651 -0.808) 3.855 3.237 ( -0.524 1.778 1.257) 2.240 3.420 ( -1.848 5.655 -0.732) 5.995 3.515 ( 0.452 2.771 1.994) 3.443 3.599 ( 1.163 -2.160 1.059) 2.672 3.617 ( 0.320 -1.041 1.335) 1.723 10.101 ( -0.241 2.332 0.396) 2.378 10.102 ( -0.662 1.876 0.335) 2.017 10.956 ( -0.613 0.188 -0.763) 0.997 10.979 ( -1.290 -0.758 0.197) 1.509 14.848 ( -2.675 6.588 -1.039) 7.186 15.211 ( -2.901 -9.477 -5.451) 11.311 17.035 ( -2.294 1.215 0.610) 2.667 17.166 ( -2.175 -5.245 1.103) 5.784 31.532 ( 0.857 -0.182 0.172) 0.892 31.557 ( 0.128 -1.582 -0.294) 1.615 33.885 ( 3.163 4.376 0.193) 5.403 33.914 ( 2.923 2.742 -0.038) 4.008 ======================= Grid point 139 (71/195) ======================= q-point: (-0.36 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -6.637 -1.065 -7.370) 9.975 1.129 ( -0.798 -1.411 -4.106) 4.415 1.452 ( -3.323 -0.178 -4.221) 5.375 1.567 ( -6.619 -3.781 -5.798) 9.577 1.620 ( 6.123 6.971 1.687) 9.431 1.924 ( 1.616 -5.500 0.028) 5.733 2.221 ( 1.979 1.758 2.147) 3.409 2.426 ( 0.525 -5.557 -3.466) 6.571 2.682 ( 1.431 2.047 4.543) 5.184 2.771 ( 0.671 -2.129 4.818) 5.310 2.811 ( -4.723 0.721 -0.442) 4.798 2.898 ( -4.832 -0.291 -1.813) 5.170 3.175 ( 0.508 3.992 -2.506) 4.741 3.258 ( 2.292 0.866 0.090) 2.452 3.385 ( -1.022 6.035 -0.662) 6.157 3.536 ( 0.782 0.852 1.703) 2.058 3.598 ( -1.023 -0.060 0.873) 1.346 3.656 ( 1.671 -3.791 2.811) 5.007 10.081 ( -1.671 1.769 0.336) 2.457 10.089 ( -1.221 1.825 0.335) 2.221 10.909 ( -3.837 0.008 -0.483) 3.867 10.937 ( -3.064 -0.913 -0.426) 3.226 14.734 ( -8.759 5.248 -0.506) 10.224 15.071 ( -8.177 -10.005 -7.333) 14.857 16.958 ( -5.686 0.949 0.606) 5.796 17.084 ( -6.786 -5.539 1.631) 8.910 31.563 ( 2.175 -0.714 0.101) 2.292 31.571 ( 1.565 -1.093 -0.203) 1.920 33.995 ( 7.593 4.909 0.328) 9.047 34.015 ( 8.056 4.276 -0.216) 9.123 ======================= Grid point 140 (72/195) ======================= q-point: (-0.27 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -2.198 7.750 -0.598) 8.078 1.063 ( -3.504 4.672 -3.145) 6.633 1.415 ( -2.085 -5.758 -2.270) 6.531 1.439 ( -1.199 -5.633 -0.561) 5.787 1.769 ( 7.825 7.173 0.906) 10.654 1.978 ( 4.142 0.538 -1.736) 4.523 2.253 ( 0.462 0.831 1.120) 1.469 2.379 ( -4.699 -0.762 -3.571) 5.951 2.620 ( -7.433 2.380 1.931) 8.040 2.656 ( -8.236 -0.899 -0.653) 8.311 2.814 ( 0.521 -0.221 2.954) 3.008 2.890 ( 1.912 -2.134 1.882) 3.428 3.179 ( 1.714 4.613 -3.063) 5.796 3.311 ( 3.284 0.045 -1.012) 3.437 3.387 ( 2.109 3.304 -1.081) 4.066 3.556 ( 0.221 -1.324 -0.107) 1.347 3.593 ( 0.206 1.482 2.382) 2.813 3.705 ( 1.528 -4.867 3.567) 6.224 10.046 ( -2.011 1.403 0.272) 2.467 10.060 ( -1.896 1.119 0.002) 2.201 10.810 ( -6.014 0.172 -0.779) 6.067 10.854 ( -5.212 -1.445 -0.811) 5.469 14.513 ( -14.000 3.318 0.320) 14.391 14.799 ( -15.612 -10.472 -9.010) 20.846 16.843 ( -6.258 0.522 0.543) 6.303 16.945 ( -8.264 -4.943 1.937) 9.823 31.605 ( 2.435 -0.654 -0.250) 2.534 31.620 ( 3.073 -1.223 0.415) 3.333 34.151 ( 8.646 6.700 -0.168) 10.940 34.231 ( 14.161 4.954 -0.693) 15.019 ======================= Grid point 141 (73/195) ======================= q-point: (-0.18 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -3.161 10.463 3.736) 11.551 1.046 ( 6.055 12.807 2.946) 14.470 1.360 ( -0.345 -6.089 -1.074) 6.193 1.488 ( 2.792 -5.589 2.849) 6.867 1.905 ( 5.592 7.127 -1.074) 9.122 2.020 ( -0.126 6.338 -0.632) 6.371 2.192 ( -10.266 5.483 -1.578) 11.745 2.278 ( 2.810 0.608 -2.758) 3.984 2.493 ( -7.817 -0.800 -0.640) 7.884 2.531 ( -4.211 -3.119 2.635) 5.865 2.842 ( 1.011 0.435 1.619) 1.958 2.922 ( 0.598 -2.298 -0.062) 2.375 3.200 ( 1.472 6.165 -1.004) 6.417 3.376 ( 4.744 0.166 -2.639) 5.431 3.451 ( 4.626 -1.070 -0.749) 4.807 3.552 ( 0.044 -0.071 -0.022) 0.086 3.629 ( 1.696 0.023 2.593) 3.098 3.757 ( 1.525 -5.990 4.226) 7.488 10.013 ( -1.592 0.753 0.284) 1.784 10.021 ( -1.791 0.580 -0.584) 1.971 10.678 ( -6.829 0.329 -1.263) 6.952 10.734 ( -6.620 -1.817 -0.678) 6.898 14.227 ( -15.376 0.762 1.212) 15.442 14.383 ( -21.320 -7.629 -8.562) 24.208 16.741 ( -4.508 0.235 0.607) 4.555 16.810 ( -6.508 -3.346 1.641) 7.499 31.653 ( 2.480 -0.368 0.030) 2.507 31.682 ( 2.982 -1.628 0.337) 3.415 34.313 ( 8.097 9.851 -0.775) 12.775 34.524 ( 16.523 2.344 -2.556) 16.883 ======================= Grid point 142 (74/195) ======================= q-point: (-0.09 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -1.466 12.587 5.209) 13.701 1.246 ( 8.934 14.489 6.515) 18.226 1.385 ( 2.382 -7.711 1.192) 8.158 1.546 ( 1.060 -0.008 1.684) 1.990 1.877 ( -6.461 12.771 -1.411) 14.382 1.970 ( -4.525 8.737 1.375) 9.934 2.132 ( 4.829 1.097 0.960) 5.044 2.322 ( 3.066 -0.280 -4.850) 5.744 2.370 ( -3.976 0.101 -1.231) 4.163 2.449 ( -5.619 -5.380 1.392) 7.903 2.872 ( 1.423 0.581 0.308) 1.567 2.910 ( -1.206 -0.783 -1.872) 2.361 3.220 ( 0.555 7.145 0.967) 7.232 3.452 ( 4.460 -1.030 -3.806) 5.953 3.522 ( 2.476 -1.218 -0.243) 2.771 3.572 ( 1.548 0.945 1.103) 2.123 3.684 ( 2.326 -2.029 2.245) 3.816 3.809 ( 0.830 -8.278 5.160) 9.790 9.982 ( -1.290 0.479 -0.522) 1.472 10.001 ( -0.058 -0.240 -0.189) 0.311 10.553 ( -4.847 0.664 -0.876) 4.970 10.610 ( -5.353 -1.715 -0.309) 5.629 13.965 ( -13.304 -0.778 -1.698) 13.435 13.989 ( -11.632 -1.543 -0.353) 11.739 16.680 ( -2.315 0.083 0.745) 2.434 16.720 ( -3.628 -1.616 0.756) 4.044 31.693 ( 1.494 -0.356 0.105) 1.540 31.731 ( 1.831 -1.930 0.208) 2.669 34.435 ( 4.952 12.460 -1.404) 13.482 34.786 ( 11.938 -2.281 -5.986) 13.548 ======================= Grid point 143 (75/195) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.911 -11.594 6.236) 13.196 1.219 ( 0.911 11.594 6.236) 13.196 1.557 ( -1.638 -5.170 0.727) 5.471 1.557 ( -1.638 5.170 0.727) 5.471 2.035 ( 0.336 -7.531 2.335) 7.892 2.035 ( 0.336 7.531 2.335) 7.892 2.139 ( -0.642 -8.553 -0.032) 8.577 2.139 ( -0.642 8.553 -0.032) 8.577 2.411 ( 2.336 -1.212 -2.467) 3.607 2.411 ( 2.336 1.212 -2.467) 3.607 2.882 ( -0.968 -0.851 -1.612) 2.064 2.882 ( -0.968 0.851 -1.612) 2.064 3.398 ( 0.097 -7.299 -1.432) 7.439 3.398 ( 0.097 7.299 -1.432) 7.439 3.578 ( 0.720 -3.146 2.635) 4.166 3.578 ( 0.720 3.146 2.635) 4.166 3.686 ( -1.848 -1.836 1.374) 2.945 3.686 ( -1.848 1.836 1.374) 2.945 9.984 ( 0.134 -0.988 -0.366) 1.062 9.984 ( 0.134 0.988 -0.366) 1.062 10.529 ( 0.575 -0.890 0.046) 1.060 10.529 ( 0.575 0.890 0.046) 1.060 13.874 ( 2.103 -0.629 1.719) 2.788 13.874 ( 2.103 0.629 1.719) 2.788 16.665 ( -0.543 -0.731 0.148) 0.922 16.665 ( -0.543 0.731 0.148) 0.922 31.715 ( -0.099 -1.124 -0.061) 1.130 31.715 ( -0.099 1.124 -0.061) 1.130 34.720 ( 0.102 -9.659 -4.049) 10.474 34.720 ( 0.102 9.659 -4.049) 10.474 ======================= Grid point 145 (76/195) ======================= q-point: ( 0.09 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -0.033 -10.618 6.528) 12.464 1.268 ( -0.033 10.618 6.528) 12.464 1.467 ( -5.806 -8.144 1.704) 10.146 1.467 ( -5.806 8.144 1.704) 10.146 2.042 ( -1.093 -5.105 -1.183) 5.353 2.042 ( -1.093 5.105 -1.183) 5.353 2.202 ( 6.384 -8.209 1.327) 10.484 2.202 ( 6.384 8.209 1.327) 10.484 2.460 ( 3.015 -2.564 1.011) 4.085 2.460 ( 3.015 2.564 1.011) 4.085 2.834 ( -2.707 -2.744 -2.863) 4.802 2.834 ( -2.707 2.744 -2.863) 4.802 3.378 ( -1.210 -6.155 -1.359) 6.419 3.378 ( -1.210 6.155 -1.359) 6.419 3.575 ( -2.403 -2.737 2.409) 4.367 3.575 ( -2.403 2.737 2.409) 4.367 3.644 ( -2.711 -2.462 0.611) 3.713 3.644 ( -2.711 2.462 0.611) 3.713 9.992 ( 0.936 -0.961 -0.390) 1.397 9.992 ( 0.936 0.961 -0.390) 1.397 10.594 ( 5.554 -0.959 0.131) 5.638 10.594 ( 5.554 0.959 0.131) 5.638 14.054 ( 14.387 -4.806 2.372) 15.353 14.054 ( 14.387 4.806 2.372) 15.353 16.675 ( 1.594 -0.872 -0.076) 1.818 16.675 ( 1.594 0.872 -0.076) 1.818 31.697 ( -1.654 -0.978 -0.059) 1.922 31.697 ( -1.654 0.978 -0.059) 1.922 34.626 ( -7.028 -7.500 -4.056) 11.050 34.626 ( -7.028 7.500 -4.056) 11.050 ======================= Grid point 147 (77/195) ======================= q-point: ( 0.18 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -1.492 -9.819 3.093) 10.402 1.273 ( -1.492 9.819 3.093) 10.402 1.449 ( 1.805 -7.009 7.073) 10.120 1.449 ( 1.805 7.009 7.073) 10.120 1.984 ( -4.116 -3.798 -2.406) 6.096 1.984 ( -4.116 3.798 -2.406) 6.096 2.326 ( 4.115 -7.474 1.878) 8.736 2.326 ( 4.115 7.474 1.878) 8.736 2.542 ( 4.549 -2.470 1.665) 5.438 2.542 ( 4.549 2.470 1.665) 5.438 2.753 ( -2.706 -3.963 -4.437) 6.536 2.753 ( -2.706 3.963 -4.437) 6.536 3.345 ( -1.492 -2.445 -0.225) 2.873 3.345 ( -1.492 2.445 -0.225) 2.873 3.536 ( -2.119 -1.732 0.933) 2.892 3.536 ( -2.119 1.732 0.933) 2.892 3.594 ( -2.873 -2.896 0.552) 4.116 3.594 ( -2.873 2.896 0.552) 4.116 10.016 ( 1.817 -0.757 -0.421) 2.013 10.016 ( 1.817 0.757 -0.421) 2.013 10.716 ( 6.625 -1.801 -0.206) 6.868 10.716 ( 6.625 1.801 -0.206) 6.868 14.395 ( 18.533 -10.084 1.313) 21.140 14.395 ( 18.533 10.084 1.313) 21.140 16.730 ( 4.388 -0.640 -0.086) 4.435 16.730 ( 4.388 0.640 -0.086) 4.435 31.655 ( -2.506 -0.513 0.098) 2.560 31.655 ( -2.506 0.513 0.098) 2.560 34.429 ( -10.706 -4.225 -3.098) 11.919 34.429 ( -10.706 4.225 -3.098) 11.919 ======================= Grid point 149 (78/195) ======================= q-point: ( 0.27 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 2.869 -6.295 4.635) 8.327 1.305 ( 2.869 6.295 4.635) 8.327 1.569 ( 5.049 -5.315 6.178) 9.587 1.569 ( 5.049 5.315 6.178) 9.587 1.856 ( -7.342 -5.123 -1.592) 9.093 1.856 ( -7.342 5.123 -1.592) 9.093 2.366 ( -0.732 -8.568 1.683) 8.762 2.366 ( -0.732 8.568 1.683) 8.762 2.562 ( -1.848 -1.120 -5.695) 6.091 2.562 ( -1.848 1.120 -5.695) 6.091 2.774 ( 6.472 -3.234 0.318) 7.242 2.774 ( 6.472 3.234 0.318) 7.242 3.317 ( -1.970 -1.120 1.032) 2.490 3.317 ( -1.970 1.120 1.032) 2.490 3.512 ( -0.464 -1.842 -0.474) 1.958 3.512 ( -0.464 1.842 -0.474) 1.958 3.549 ( -1.768 -3.675 0.616) 4.124 3.549 ( -1.768 3.675 0.616) 4.124 10.054 ( 2.247 -0.536 -0.286) 2.328 10.054 ( 2.247 0.536 -0.286) 2.328 10.831 ( 5.476 -1.883 -0.509) 5.812 10.831 ( 5.476 1.883 -0.509) 5.812 14.727 ( 14.924 -12.088 -0.281) 19.207 14.727 ( 14.924 12.088 -0.281) 19.207 16.840 ( 6.803 -0.390 0.067) 6.814 16.840 ( 6.803 0.390 0.067) 6.814 31.607 ( -2.538 -0.270 0.245) 2.565 31.607 ( -2.538 0.270 0.245) 2.565 34.206 ( -10.487 -1.768 -1.904) 10.805 34.206 ( -10.487 1.768 -1.904) 10.805 ======================= Grid point 151 (79/195) ======================= q-point: ( 0.36 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 2.102 -2.993 6.612) 7.556 1.407 ( 2.102 2.993 6.612) 7.556 1.585 ( -4.964 -4.760 -2.334) 7.263 1.585 ( -4.964 4.760 -2.334) 7.263 1.796 ( 2.641 -3.520 0.613) 4.443 1.796 ( 2.641 3.520 0.613) 4.443 2.326 ( -3.139 -8.654 -0.705) 9.232 2.326 ( -3.139 8.654 -0.705) 9.232 2.505 ( -0.335 -2.127 -2.692) 3.447 2.505 ( -0.335 2.127 -2.692) 3.447 2.902 ( 5.424 -3.568 0.142) 6.494 2.902 ( 5.424 3.568 0.142) 6.494 3.275 ( -2.897 -2.426 1.319) 4.003 3.275 ( -2.897 2.426 1.319) 4.003 3.512 ( 0.725 -2.861 -0.932) 3.096 3.512 ( 0.725 2.862 -0.932) 3.096 3.542 ( 0.467 -3.064 0.959) 3.244 3.542 ( 0.467 3.064 0.959) 3.244 10.094 ( 1.870 -0.333 -0.009) 1.900 10.094 ( 1.870 0.333 -0.009) 1.900 10.916 ( 3.622 -1.439 -0.556) 3.937 10.916 ( 3.622 1.439 -0.556) 3.937 14.946 ( 8.475 -11.347 -1.617) 14.254 14.946 ( 8.475 11.347 -1.617) 14.254 16.974 ( 6.510 -1.742 0.305) 6.746 16.974 ( 6.510 1.742 0.305) 6.746 31.565 ( -1.922 -0.690 0.224) 2.055 31.565 ( -1.922 0.690 0.224) 2.055 34.025 ( -7.291 -0.767 -0.923) 7.389 34.025 ( -7.291 0.767 -0.923) 7.389 ======================= Grid point 153 (80/195) ======================= q-point: ( 0.45 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -8.537 -4.213 -2.314) 9.797 1.323 ( -8.537 4.213 -2.314) 9.797 1.587 ( 2.812 -5.189 1.569) 6.107 1.587 ( 2.812 5.189 1.569) 6.107 1.818 ( -0.309 -3.807 -4.923) 6.231 1.818 ( -0.309 3.807 -4.923) 6.231 2.270 ( -1.652 -7.832 -0.609) 8.028 2.270 ( -1.652 7.832 -0.609) 8.028 2.532 ( 2.990 -3.108 2.825) 5.156 2.532 ( 2.990 3.108 2.825) 5.156 2.966 ( 1.400 -3.492 -0.962) 3.884 2.966 ( 1.400 3.492 -0.962) 3.884 3.238 ( -1.504 -2.277 1.474) 3.102 3.238 ( -1.504 2.277 1.474) 3.102 3.521 ( 0.494 -2.602 -0.668) 2.731 3.521 ( 0.494 2.602 -0.668) 2.731 3.566 ( 0.965 -2.789 1.275) 3.214 3.566 ( 0.965 2.789 1.275) 3.214 10.121 ( 0.804 -0.145 0.266) 0.859 10.121 ( 0.804 0.145 0.266) 0.859 10.962 ( 1.445 -0.913 -0.414) 1.759 10.962 ( 1.445 0.913 -0.414) 1.759 15.037 ( 2.453 -9.949 -2.628) 10.578 15.037 ( 2.453 9.949 -2.628) 10.578 17.070 ( 2.814 -2.692 0.586) 3.938 17.070 ( 2.814 2.692 0.586) 3.938 31.539 ( -0.852 -0.792 0.062) 1.165 31.539 ( -0.852 0.792 0.062) 1.165 33.928 ( -2.276 -0.716 -0.252) 2.399 33.928 ( -2.276 0.716 -0.252) 2.399 ======================= Grid point 155 (81/195) ======================= q-point: (-0.45 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -4.400 -2.225 -6.310) 8.008 1.169 ( -4.400 2.225 -6.310) 8.008 1.600 ( -2.004 -3.280 -3.515) 5.208 1.600 ( -2.004 3.280 -3.515) 5.208 1.760 ( -1.565 -6.498 -2.040) 6.989 1.760 ( -1.565 6.498 -2.040) 6.989 2.267 ( 1.480 -6.786 -0.534) 6.966 2.267 ( 1.480 6.786 -0.534) 6.966 2.631 ( 4.164 -2.676 5.422) 7.341 2.631 ( 4.164 2.676 5.422) 7.341 2.946 ( -2.502 -3.080 -1.906) 4.402 2.946 ( -2.502 3.080 -1.906) 4.402 3.234 ( 0.083 -1.896 0.942) 2.119 3.234 ( 0.083 1.896 0.942) 2.119 3.518 ( -0.399 -3.466 -0.646) 3.548 3.518 ( -0.399 3.466 -0.646) 3.548 3.587 ( 0.252 -1.885 2.095) 2.829 3.587 ( 0.252 1.885 2.095) 2.829 10.125 ( -0.557 -0.082 0.421) 0.703 10.125 ( -0.557 0.082 0.421) 0.703 10.964 ( -1.004 -0.579 -0.327) 1.204 10.964 ( -1.004 0.579 -0.327) 1.204 15.013 ( -3.080 -8.941 -3.421) 10.057 15.013 ( -3.080 8.941 -3.421) 10.057 17.079 ( -2.377 -3.048 0.860) 3.960 17.079 ( -2.377 3.048 0.860) 3.960 31.535 ( 0.499 -0.544 -0.066) 0.741 31.535 ( 0.499 0.544 -0.066) 0.741 33.938 ( 3.383 -0.650 0.098) 3.447 33.938 ( 3.383 0.650 0.098) 3.447 ======================= Grid point 157 (82/195) ======================= q-point: (-0.36 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.149 -2.155 -5.401) 5.817 1.090 ( -0.149 2.155 -5.401) 5.817 1.475 ( -6.512 -2.954 -6.038) 9.359 1.475 ( -6.512 2.954 -6.038) 9.359 1.791 ( 4.696 -7.414 1.416) 8.889 1.791 ( 4.696 7.414 1.416) 8.889 2.300 ( 1.754 -5.529 -0.896) 5.870 2.300 ( 1.754 5.529 -0.896) 5.870 2.727 ( 1.711 -2.138 4.951) 5.658 2.727 ( 1.711 2.138 4.951) 5.658 2.856 ( -4.984 -2.889 -1.789) 6.032 2.856 ( -4.984 2.889 -1.789) 6.032 3.243 ( 0.797 -2.164 -0.900) 2.476 3.243 ( 0.797 2.164 -0.900) 2.476 3.502 ( -0.752 -4.407 -0.557) 4.506 3.502 ( -0.752 4.407 -0.557) 4.506 3.605 ( 0.274 -1.240 2.935) 3.198 3.605 ( 0.274 1.240 2.935) 3.198 10.105 ( -1.735 -0.313 0.393) 1.806 10.105 ( -1.735 0.313 0.393) 1.806 10.919 ( -3.534 -0.769 -0.463) 3.647 10.919 ( -3.534 0.769 -0.463) 3.647 14.876 ( -9.133 -8.224 -3.972) 12.916 14.876 ( -9.133 8.224 -3.972) 12.916 16.997 ( -6.276 -2.869 1.059) 6.982 16.997 ( -6.276 2.869 1.059) 6.982 31.557 ( 1.845 -0.184 -0.035) 1.855 31.557 ( 1.845 0.185 -0.035) 1.855 34.054 ( 8.511 -0.619 0.082) 8.533 34.054 ( 8.511 0.619 0.082) 8.533 ======================= Grid point 159 (83/195) ======================= q-point: (-0.27 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 3.293 -3.861 -1.286) 5.235 1.104 ( 3.293 3.861 -1.286) 5.235 1.334 ( -4.575 -1.422 -2.351) 5.337 1.334 ( -4.575 1.422 -2.351) 5.337 1.925 ( 7.724 -5.926 0.486) 9.748 1.925 ( 7.724 5.926 0.486) 9.748 2.302 ( -1.189 -4.303 -1.954) 4.873 2.302 ( -1.189 4.303 -1.954) 4.873 2.661 ( -8.280 -0.777 0.441) 8.328 2.661 ( -8.280 0.777 0.441) 8.328 2.834 ( 1.447 -2.384 2.116) 3.501 2.834 ( 1.447 2.384 2.116) 3.501 3.262 ( 2.441 -3.426 -1.984) 4.651 3.262 ( 2.441 3.426 -1.984) 4.651 3.490 ( -0.108 -4.799 -0.285) 4.809 3.490 ( -0.108 4.799 -0.285) 4.809 3.632 ( 0.652 -2.362 3.079) 3.936 3.632 ( 0.652 2.362 3.079) 3.936 10.067 ( -2.316 -0.415 0.178) 2.359 10.067 ( -2.316 0.415 0.178) 2.359 10.826 ( -5.718 -1.183 -0.732) 5.885 10.826 ( -5.718 1.183 -0.732) 5.885 14.617 ( -15.339 -6.779 -3.989) 17.238 14.617 ( -15.339 6.779 -3.989) 17.238 16.872 ( -6.964 -2.291 1.097) 7.413 16.872 ( -6.964 2.291 1.097) 7.413 31.602 ( 2.727 -0.416 0.100) 2.760 31.602 ( 2.727 0.416 0.100) 2.760 34.252 ( 11.854 -2.419 -0.393) 12.105 34.252 ( 11.854 2.419 -0.393) 12.105 ======================= Grid point 161 (84/195) ======================= q-point: (-0.18 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.732 -8.038 1.172) 8.155 1.154 ( 0.732 8.038 1.172) 8.155 1.329 ( 4.858 -8.729 2.536) 10.307 1.329 ( 4.858 8.729 2.536) 10.307 2.057 ( 5.013 -5.320 -0.303) 7.316 2.057 ( 5.013 5.320 -0.303) 7.316 2.229 ( -4.336 -4.473 -2.719) 6.797 2.229 ( -4.336 4.473 -2.719) 6.797 2.513 ( -6.815 -1.931 0.355) 7.092 2.513 ( -6.815 1.931 0.355) 7.092 2.871 ( 1.380 -2.274 0.709) 2.753 2.871 ( 1.380 2.274 0.709) 2.753 3.317 ( 4.006 -4.729 -1.040) 6.285 3.317 ( 4.006 4.729 -1.040) 6.285 3.496 ( 0.910 -4.032 -0.013) 4.134 3.496 ( 0.910 4.032 -0.013) 4.134 3.664 ( 0.855 -3.014 2.777) 4.186 3.664 ( 0.855 3.014 2.777) 4.186 10.024 ( -2.034 -0.249 -0.137) 2.053 10.024 ( -2.034 0.249 -0.137) 2.053 10.699 ( -6.765 -1.465 -0.834) 6.972 10.699 ( -6.765 1.465 -0.834) 6.972 14.270 ( -17.733 -3.480 -2.899) 18.302 14.270 ( -17.733 3.480 -2.899) 18.302 16.760 ( -5.011 -1.614 0.904) 5.341 16.760 ( -5.011 1.614 0.904) 5.341 31.657 ( 2.682 -0.737 0.164) 2.786 31.657 ( 2.682 0.737 0.164) 2.786 34.482 ( 11.941 -5.644 -1.441) 13.286 34.482 ( 11.941 5.644 -1.441) 13.286 ======================= Grid point 163 (85/195) ======================= q-point: (-0.09 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.533 -11.429 3.789) 12.053 1.174 ( 0.533 11.429 3.789) 12.053 1.481 ( 7.003 -7.280 3.273) 10.618 1.481 ( 7.003 7.280 3.273) 10.618 2.067 ( -3.189 -5.988 -0.302) 6.791 2.067 ( -3.189 5.988 -0.302) 6.791 2.166 ( -1.316 -9.235 0.253) 9.331 2.166 ( -1.316 9.235 0.253) 9.331 2.417 ( -1.997 -0.782 -2.588) 3.362 2.417 ( -1.997 0.782 -2.588) 3.362 2.891 ( 0.579 -1.062 -0.659) 1.377 2.891 ( 0.579 1.062 -0.659) 1.377 3.382 ( 2.505 -6.607 -0.704) 7.101 3.382 ( 2.505 6.607 -0.704) 7.101 3.530 ( 2.294 -2.812 1.285) 3.850 3.530 ( 2.294 2.812 1.285) 3.850 3.690 ( 0.175 -2.910 2.271) 3.696 3.690 ( 0.175 2.910 2.271) 3.696 9.993 ( -0.955 -0.507 -0.354) 1.137 9.993 ( -0.955 0.507 -0.354) 1.137 10.576 ( -4.967 -1.449 -0.492) 5.197 10.576 ( -4.967 1.449 -0.492) 5.197 13.965 ( -11.394 -0.670 -0.578) 11.428 13.965 ( -11.394 0.670 -0.578) 11.428 16.693 ( -2.557 -1.009 0.530) 2.800 16.693 ( -2.557 1.009 0.530) 2.800 31.700 ( 1.595 -0.990 0.072) 1.879 31.700 ( 1.595 0.990 0.072) 1.879 34.664 ( 7.654 -8.823 -2.913) 12.038 34.664 ( 7.654 8.823 -2.913) 12.038 ======================= Grid point 198 (86/195) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -13.502 0.000 12.882) 18.661 0.554 ( 3.472 0.000 12.335) 12.814 1.092 ( 3.274 0.000 1.653) 3.668 1.131 ( -1.461 0.000 -5.074) 5.280 1.262 ( -0.068 0.000 19.262) 19.262 1.527 ( -0.567 0.000 -9.251) 9.269 2.108 ( 0.509 0.000 7.531) 7.548 2.167 ( 1.525 0.000 3.038) 3.399 2.622 ( 0.134 0.000 -0.819) 0.830 2.731 ( 2.013 0.000 -1.943) 2.798 2.778 ( -4.676 0.000 -3.998) 6.152 3.000 ( -0.390 0.000 -0.220) 0.448 3.199 ( 0.533 0.000 -0.633) 0.827 3.404 ( -2.858 0.000 -7.888) 8.390 3.430 ( -0.857 0.000 3.975) 4.067 3.618 ( -0.031 0.000 -1.296) 1.297 3.754 ( -8.418 0.000 0.299) 8.423 3.989 ( 7.998 0.000 -0.747) 8.033 9.934 ( 0.262 0.000 -0.416) 0.492 9.983 ( -0.243 0.000 0.394) 0.463 10.571 ( 1.785 0.000 -0.744) 1.934 10.650 ( 6.560 0.000 0.360) 6.570 13.981 ( -8.422 0.000 2.881) 8.901 14.146 ( 39.007 0.000 -1.322) 39.029 16.701 ( -1.311 0.000 -0.270) 1.338 16.820 ( -7.747 0.000 -0.317) 7.753 31.868 ( -0.117 0.000 0.632) 0.643 32.266 ( 4.353 0.000 0.017) 4.353 33.451 ( 0.110 0.000 2.531) 2.533 33.800 ( -0.122 0.000 -2.420) 2.423 ======================= Grid point 199 (87/195) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 19.211 0.000 10.387) 21.840 0.802 ( 13.794 0.000 9.850) 16.950 1.118 ( 3.250 0.000 -6.039) 6.858 1.267 ( 15.796 0.000 -2.627) 16.013 1.430 ( 4.729 0.000 22.923) 23.406 1.468 ( -0.693 0.000 -7.486) 7.518 2.128 ( -1.765 0.000 4.022) 4.393 2.178 ( -1.525 0.000 1.449) 2.104 2.583 ( -4.173 0.000 -1.952) 4.607 2.708 ( -3.470 0.000 0.251) 3.479 2.725 ( 1.468 0.000 -3.613) 3.900 2.963 ( -3.171 0.000 -0.151) 3.174 3.187 ( -1.252 0.000 -0.866) 1.522 3.236 ( -6.862 0.000 -3.453) 7.682 3.427 ( -1.863 0.000 3.756) 4.193 3.597 ( -1.435 0.000 -0.904) 1.696 3.702 ( -0.408 0.000 1.963) 2.005 4.027 ( -1.240 0.000 -4.165) 4.346 9.935 ( 0.071 0.000 -0.512) 0.517 9.985 ( 0.220 0.000 0.486) 0.533 10.593 ( 2.551 0.000 -1.045) 2.757 10.806 ( 8.062 0.000 -3.741) 8.888 13.915 ( 1.482 0.000 -0.836) 1.701 14.956 ( 42.736 0.000 -20.781) 47.521 16.655 ( -0.913 0.000 1.419) 1.688 16.791 ( 1.846 0.000 2.367) 3.001 31.832 ( -3.729 0.000 0.453) 3.756 32.248 ( -4.949 0.000 -0.158) 4.952 33.475 ( 0.891 0.000 2.489) 2.644 33.778 ( -0.705 0.000 -2.384) 2.486 ======================= Grid point 200 (88/195) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 11.831 0.000 4.210) 12.558 1.133 ( 19.597 0.000 8.176) 21.234 1.182 ( 9.024 0.000 -2.197) 9.288 1.409 ( -1.599 0.000 -5.258) 5.496 1.611 ( 19.910 0.000 -3.719) 20.254 1.742 ( 16.851 0.000 17.313) 24.160 2.085 ( -3.646 0.000 -1.200) 3.838 2.142 ( -2.019 0.000 -0.436) 2.066 2.481 ( -5.096 0.000 -1.788) 5.400 2.613 ( -2.963 0.000 -4.050) 5.018 2.774 ( 3.248 0.000 0.984) 3.393 2.883 ( -4.814 0.000 -0.330) 4.825 3.139 ( -2.785 0.000 -0.150) 2.789 3.142 ( -2.789 0.000 -1.510) 3.171 3.400 ( -3.075 0.000 3.282) 4.498 3.556 ( -2.475 0.000 0.073) 2.476 3.705 ( -0.978 0.000 1.710) 1.969 3.934 ( -5.261 0.000 -4.176) 6.717 9.931 ( -0.070 0.000 -0.484) 0.489 9.996 ( 0.526 0.000 0.454) 0.695 10.659 ( 4.801 0.000 -1.292) 4.972 10.909 ( 5.202 0.000 -3.626) 6.341 14.027 ( 10.405 0.000 -1.461) 10.507 15.419 ( 18.832 0.000 -19.910) 27.405 16.732 ( 7.854 0.000 -1.063) 7.926 16.877 ( 5.674 0.000 3.229) 6.529 31.743 ( -5.314 0.000 0.092) 5.315 32.119 ( -8.061 0.000 0.765) 8.098 33.513 ( 1.591 0.000 2.233) 2.742 33.746 ( -1.263 0.000 -2.138) 2.483 ======================= Grid point 201 (89/195) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -0.637 0.000 -2.141) 2.234 1.353 ( 0.504 0.000 -3.833) 3.866 1.471 ( 11.170 0.000 8.421) 13.989 1.500 ( 14.562 0.000 5.617) 15.608 1.895 ( 7.537 0.000 -8.103) 11.067 1.994 ( 0.727 0.000 -3.032) 3.118 2.118 ( 0.636 0.000 -2.090) 2.184 2.235 ( 22.370 0.000 6.027) 23.167 2.387 ( 0.066 0.000 -2.794) 2.795 2.594 ( 1.418 0.000 2.174) 2.596 2.787 ( -4.564 0.000 -0.785) 4.631 2.850 ( 3.679 0.000 1.968) 4.172 3.067 ( -3.735 0.000 -2.411) 4.445 3.112 ( -0.514 0.000 0.807) 0.957 3.344 ( -4.520 0.000 2.213) 5.033 3.508 ( -2.862 0.000 1.514) 3.238 3.670 ( -3.467 0.000 -0.305) 3.480 3.802 ( -6.105 0.000 -1.705) 6.339 9.928 ( 0.014 0.000 -0.293) 0.294 10.008 ( 0.455 0.000 0.266) 0.527 10.752 ( 5.433 0.000 -1.419) 5.616 10.971 ( 3.128 0.000 -2.117) 3.777 14.262 ( 13.376 0.000 0.400) 13.382 15.535 ( 5.429 0.000 -13.273) 14.341 16.877 ( 7.049 0.000 -0.823) 7.097 17.053 ( 10.674 0.000 1.328) 10.756 31.644 ( -4.732 0.000 -0.070) 4.732 31.964 ( -8.126 0.000 0.432) 8.137 33.561 ( 2.146 0.000 1.785) 2.791 33.706 ( -1.787 0.000 -1.707) 2.472 ======================= Grid point 202 (90/195) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -4.036 0.000 1.162) 4.200 1.364 ( 1.756 0.000 -2.324) 2.913 1.635 ( 2.284 0.000 -0.927) 2.465 1.772 ( 10.051 0.000 3.910) 10.784 1.787 ( -7.042 0.000 -7.462) 10.260 2.072 ( 5.861 0.000 -2.908) 6.543 2.143 ( 3.143 0.000 -2.061) 3.758 2.436 ( 9.406 0.000 -2.657) 9.774 2.612 ( 6.377 0.000 3.742) 7.394 2.713 ( -2.173 0.000 -1.499) 2.639 2.735 ( 11.854 0.000 4.402) 12.645 2.931 ( 3.592 0.000 1.884) 4.056 2.980 ( -3.298 0.000 -3.397) 4.734 3.118 ( 0.156 0.000 0.794) 0.810 3.255 ( -5.492 0.000 0.901) 5.565 3.469 ( -2.453 0.000 2.855) 3.764 3.579 ( -3.678 0.000 -2.675) 4.548 3.701 ( -4.653 0.000 2.376) 5.225 9.929 ( 0.210 0.000 -0.026) 0.211 10.014 ( 0.137 0.000 0.007) 0.137 10.839 ( 4.276 0.000 -1.594) 4.563 11.014 ( 2.169 0.000 -0.046) 2.170 14.507 ( 10.584 0.000 2.610) 10.901 15.523 ( 0.867 0.000 -10.029) 10.066 16.991 ( 4.740 0.000 0.884) 4.822 17.257 ( 9.464 0.000 0.066) 9.465 31.572 ( -2.642 0.000 0.179) 2.648 31.821 ( -6.710 0.000 -0.280) 6.716 33.614 ( 2.513 0.000 1.140) 2.759 33.659 ( -2.252 0.000 -1.083) 2.499 ======================= Grid point 203 (91/195) ======================= q-point: (-0.55 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.070 0.000 3.616) 3.616 1.377 ( 0.877 0.000 -1.814) 2.015 1.547 ( -9.474 0.000 -7.429) 12.039 1.616 ( -2.200 0.000 -9.792) 10.036 1.895 ( 0.733 0.000 1.569) 1.731 2.209 ( 3.699 0.000 0.263) 3.709 2.228 ( 8.622 0.000 3.905) 9.465 2.575 ( 4.599 0.000 -0.869) 4.681 2.690 ( 0.761 0.000 -2.307) 2.430 2.725 ( 3.211 0.000 4.263) 5.337 2.861 ( 0.667 0.000 -0.229) 0.705 2.915 ( -0.840 0.000 -4.242) 4.324 2.991 ( 1.123 0.000 -0.494) 1.227 3.103 ( -2.724 0.000 0.845) 2.852 3.161 ( -4.042 0.000 0.250) 4.050 3.450 ( -1.399 0.000 3.486) 3.756 3.551 ( 0.618 0.000 -0.287) 0.681 3.668 ( 1.376 0.000 2.707) 3.037 9.936 ( 0.367 0.000 0.185) 0.411 10.013 ( -0.236 0.000 -0.196) 0.307 10.894 ( 2.592 0.000 -1.737) 3.120 11.049 ( 0.871 0.000 1.352) 1.608 14.681 ( 5.414 0.000 4.300) 6.914 15.463 ( -1.263 0.000 -9.441) 9.526 17.060 ( 1.535 0.000 1.526) 2.165 17.403 ( 5.763 0.000 -0.300) 5.770 31.549 ( 0.040 0.000 0.747) 0.748 31.710 ( -4.420 0.000 -0.899) 4.511 33.608 ( -2.508 0.000 -0.609) 2.581 33.668 ( 2.570 0.000 0.655) 2.652 ======================= Grid point 204 (92/195) ======================= q-point: (-0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 4.180 0.000 3.372) 5.370 1.284 ( -12.556 0.000 -6.206) 14.006 1.380 ( 0.609 0.000 -2.404) 2.480 1.570 ( 2.347 0.000 -8.101) 8.434 1.840 ( -6.418 0.000 2.101) 6.753 2.246 ( -1.007 0.000 0.128) 1.015 2.371 ( 1.740 0.000 3.257) 3.693 2.529 ( -9.485 0.000 -3.594) 10.143 2.703 ( 1.978 0.000 -2.756) 3.392 2.756 ( 0.776 0.000 5.019) 5.079 2.885 ( 1.033 0.000 0.873) 1.353 2.908 ( 2.753 0.000 -4.112) 4.949 2.990 ( 0.050 0.000 -1.690) 1.691 3.027 ( -4.738 0.000 2.259) 5.249 3.129 ( 0.734 0.000 0.757) 1.054 3.457 ( 0.071 0.000 3.341) 3.342 3.536 ( -1.487 0.000 -0.107) 1.491 3.795 ( 8.584 0.000 0.823) 8.624 9.944 ( 0.321 0.000 0.145) 0.353 10.005 ( -0.442 0.000 -0.157) 0.469 10.918 ( 1.006 0.000 -2.384) 2.587 11.050 ( -1.873 0.000 1.684) 2.519 14.761 ( -0.106 0.000 5.717) 5.718 15.364 ( -3.218 0.000 -10.668) 11.143 17.060 ( -2.460 0.000 1.510) 2.887 17.476 ( 2.481 0.000 -1.168) 2.742 31.580 ( 2.385 0.000 1.109) 2.630 31.645 ( -1.703 0.000 -0.911) 1.931 33.557 ( -2.619 0.000 0.132) 2.622 33.718 ( 2.454 0.000 -0.078) 2.455 ======================= Grid point 205 (93/195) ======================= q-point: (-0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -11.763 0.000 -0.316) 11.767 1.256 ( 2.530 0.000 1.189) 2.795 1.348 ( -2.868 0.000 -3.856) 4.806 1.606 ( 4.424 0.000 -3.133) 5.421 1.739 ( -4.045 0.000 4.893) 6.349 2.158 ( -6.980 0.000 -2.391) 7.378 2.194 ( -17.899 0.000 -3.239) 18.190 2.315 ( -12.700 0.000 1.728) 12.818 2.743 ( 3.885 0.000 -2.300) 4.515 2.839 ( 2.395 0.000 3.810) 4.501 2.853 ( -2.253 0.000 1.082) 2.499 2.963 ( -1.830 0.000 -2.862) 3.397 2.964 ( 4.794 0.000 -3.102) 5.710 3.015 ( 1.177 0.000 3.225) 3.433 3.189 ( 4.085 0.000 2.039) 4.565 3.488 ( 1.404 0.000 2.487) 2.856 3.512 ( -0.367 0.000 -1.275) 1.326 3.955 ( 7.821 0.000 -1.384) 7.942 9.947 ( -0.012 0.000 -0.267) 0.267 9.997 ( -0.333 0.000 0.249) 0.415 10.898 ( -1.494 0.000 -3.841) 4.122 10.997 ( -4.406 0.000 1.516) 4.660 14.742 ( -5.783 0.000 7.034) 9.106 15.206 ( -6.300 0.000 -13.811) 15.180 16.988 ( -5.507 0.000 1.024) 5.602 17.489 ( 0.138 0.000 -3.303) 3.306 31.614 ( 1.087 0.000 -1.941) 2.225 31.668 ( 3.654 0.000 3.135) 4.814 33.511 ( -2.462 0.000 0.831) 2.599 33.760 ( 2.124 0.000 -0.756) 2.255 ======================= Grid point 206 (94/195) ======================= q-point: (-0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -7.721 0.000 11.394) 13.763 1.125 ( -13.513 0.000 -0.732) 13.532 1.338 ( 1.419 0.000 -1.502) 2.067 1.663 ( -3.166 0.000 2.754) 4.196 1.757 ( 1.631 0.000 2.457) 2.949 1.815 ( -15.963 0.000 -0.807) 15.983 1.994 ( -6.647 0.000 -3.056) 7.316 2.009 ( -18.049 0.000 0.795) 18.067 2.779 ( -3.470 0.000 -0.728) 3.545 2.821 ( 5.192 0.000 -1.612) 5.437 2.876 ( -3.945 0.000 -5.846) 7.053 2.920 ( 1.345 0.000 2.642) 2.965 3.044 ( 4.840 0.000 -1.970) 5.225 3.081 ( 3.396 0.000 2.367) 4.139 3.285 ( 4.003 0.000 3.173) 5.109 3.518 ( 1.723 0.000 0.061) 1.725 3.534 ( 2.150 0.000 1.182) 2.453 4.066 ( 5.146 0.000 -4.051) 6.550 9.941 ( -0.242 0.000 -0.586) 0.634 9.995 ( -0.228 0.000 0.561) 0.606 10.810 ( -4.941 0.000 -4.894) 6.955 10.910 ( -5.266 0.000 0.832) 5.332 14.619 ( -11.291 0.000 7.330) 13.462 14.938 ( -12.918 0.000 -18.533) 22.591 16.877 ( -6.019 0.000 0.275) 6.025 17.438 ( -2.551 0.000 -7.252) 7.688 31.640 ( 2.701 0.000 -0.896) 2.846 31.774 ( 4.855 0.000 4.492) 6.615 33.474 ( -2.052 0.000 1.467) 2.522 33.790 ( 1.648 0.000 -1.369) 2.143 ======================= Grid point 207 (95/195) ======================= q-point: (-0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -16.406 0.000 3.055) 16.688 0.868 ( -2.251 0.000 21.870) 21.985 1.317 ( -2.871 0.000 -1.677) 3.325 1.318 ( -24.969 0.000 6.400) 25.776 1.572 ( -17.208 0.000 -3.066) 17.479 1.714 ( -3.859 0.000 -8.145) 9.013 1.893 ( 3.516 0.000 6.939) 7.779 1.975 ( 3.873 0.000 3.646) 5.319 2.711 ( -3.272 0.000 -1.109) 3.455 2.752 ( -3.427 0.000 -7.652) 8.384 2.912 ( 4.717 0.000 -0.952) 4.812 2.942 ( 0.219 0.000 -2.140) 2.151 3.120 ( 3.891 0.000 -1.170) 4.064 3.168 ( 5.375 0.000 2.643) 5.990 3.366 ( 2.194 0.000 3.850) 4.431 3.580 ( 2.186 0.000 -0.139) 2.190 3.588 ( 4.534 0.000 4.073) 6.095 4.093 ( 0.481 0.000 -6.950) 6.966 9.934 ( -0.106 0.000 -0.552) 0.563 9.992 ( -0.338 0.000 0.528) 0.627 10.666 ( -6.788 0.000 -4.585) 8.191 10.802 ( -6.415 0.000 0.081) 6.416 14.378 ( -17.556 0.000 -7.232) 18.988 14.493 ( -21.859 0.000 -6.703) 22.863 16.777 ( -4.141 0.000 -0.307) 4.152 17.294 ( -7.286 0.000 -10.968) 13.167 31.714 ( 5.068 0.000 1.023) 5.170 31.905 ( 5.728 0.000 6.597) 8.737 33.450 ( -1.436 0.000 1.991) 2.455 33.807 ( 1.084 0.000 -1.880) 2.170 ======================= Grid point 208 (96/195) ======================= q-point: (-0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -11.906 0.000 8.853) 14.837 0.861 ( -23.314 0.000 9.549) 25.194 1.007 ( -1.537 0.000 21.666) 21.720 1.222 ( -4.877 0.000 -3.021) 5.736 1.290 ( -9.076 0.000 -0.556) 9.093 1.602 ( -1.726 0.000 -10.207) 10.352 2.019 ( 3.629 0.000 8.850) 9.565 2.088 ( 4.389 0.000 4.016) 5.949 2.640 ( -2.004 0.000 -1.466) 2.483 2.704 ( 1.666 0.000 -5.211) 5.470 2.889 ( -3.547 0.000 -4.448) 5.689 2.980 ( 2.592 0.000 -0.482) 2.637 3.175 ( 2.357 0.000 -0.752) 2.474 3.340 ( 10.258 0.000 -1.799) 10.415 3.413 ( 0.357 0.000 4.059) 4.074 3.611 ( 1.371 0.000 -1.032) 1.717 3.757 ( 10.315 0.000 7.290) 12.631 3.980 ( -8.272 0.000 -7.686) 11.292 9.932 ( 0.155 0.000 -0.429) 0.456 9.988 ( -0.417 0.000 0.407) 0.582 10.534 ( -3.404 0.000 -0.124) 3.406 10.677 ( -5.831 0.000 0.338) 5.841 13.894 ( -13.732 0.000 -5.459) 14.777 14.186 ( -15.187 0.000 7.603) 16.984 16.721 ( -1.555 0.000 -0.389) 1.603 17.048 ( -11.526 0.000 -8.137) 14.108 31.822 ( 4.454 0.000 0.817) 4.528 32.090 ( 9.630 0.000 6.483) 11.609 33.443 ( -0.689 0.000 2.358) 2.456 33.810 ( 0.481 0.000 -2.244) 2.295 ======================= Grid point 209 (97/195) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 4.616 9.961 10.048) 14.883 0.721 ( -15.255 14.041 10.047) 23.039 1.182 ( 3.050 7.631 -2.105) 8.483 1.270 ( 2.285 11.637 -1.918) 12.013 1.394 ( -0.599 11.661 14.856) 18.896 1.577 ( -1.036 4.083 -7.840) 8.900 2.115 ( 1.182 0.971 6.806) 6.975 2.169 ( 1.261 0.653 3.137) 3.443 2.573 ( 0.234 -4.284 -0.082) 4.291 2.667 ( -0.802 -5.423 -0.489) 5.504 2.745 ( -4.248 -1.764 -6.317) 7.814 3.054 ( -0.423 -1.711 0.175) 1.771 3.059 ( 0.847 -2.453 -0.194) 2.602 3.414 ( 2.166 1.909 -3.200) 4.310 3.496 ( -0.183 3.260 2.405) 4.055 3.639 ( 0.689 0.023 0.616) 0.924 3.806 ( -7.006 1.882 -0.475) 7.270 4.033 ( 2.070 3.243 -3.986) 5.540 9.935 ( 0.182 0.157 -0.460) 0.519 9.998 ( -0.228 1.046 -0.154) 1.082 10.566 ( 2.315 -0.467 -0.567) 2.429 10.618 ( 4.164 -2.482 0.943) 4.938 13.968 ( -6.923 -1.165 2.649) 7.503 14.080 ( 29.616 -4.863 1.434) 30.047 16.699 ( -1.366 -0.230 -0.248) 1.407 16.765 ( -5.384 -3.911 1.363) 6.793 31.846 ( 0.000 -1.881 0.459) 1.936 32.004 ( 1.874 -14.616 4.253) 15.337 33.896 ( 0.223 13.489 -3.677) 13.983 33.967 ( 0.572 28.169 -10.445) 30.049 ======================= Grid point 210 (98/195) ======================= q-point: ( 0.09 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 6.402 4.281 12.468) 14.655 0.896 ( 13.611 6.994 8.835) 17.670 1.215 ( 1.978 7.961 -4.446) 9.330 1.375 ( 11.545 8.625 -3.949) 14.943 1.484 ( 1.709 3.717 -3.213) 5.202 1.609 ( 6.425 13.384 14.920) 21.048 2.147 ( -1.172 1.657 4.393) 4.839 2.174 ( -2.202 0.200 1.504) 2.674 2.565 ( -2.529 -2.025 -0.680) 3.311 2.616 ( -2.214 -7.627 2.646) 8.371 2.663 ( -1.323 -2.650 -7.153) 7.741 3.038 ( -0.836 -1.584 -0.346) 1.825 3.052 ( -1.428 0.318 -0.746) 1.642 3.368 ( -4.422 4.690 -4.450) 7.833 3.499 ( -1.582 5.224 4.398) 7.010 3.630 ( -2.320 2.046 -0.112) 3.096 3.702 ( -2.223 0.628 1.667) 2.849 3.997 ( -3.129 -2.893 -3.716) 5.654 9.939 ( 0.391 0.376 -0.482) 0.726 9.993 ( -0.108 0.644 0.204) 0.685 10.590 ( 2.640 -0.321 -1.006) 2.843 10.765 ( 8.093 -3.419 -2.436) 9.117 13.921 ( 2.281 0.572 -0.711) 2.457 14.783 ( 38.848 -14.066 -12.675) 43.217 16.656 ( -0.545 0.090 1.323) 1.434 16.767 ( 2.185 -1.872 2.112) 3.569 31.813 ( -3.392 -1.605 0.296) 3.764 32.024 ( -1.842 -14.187 2.642) 14.548 33.843 ( -3.427 22.986 -5.577) 23.900 33.894 ( -2.448 12.635 -2.272) 13.069 ======================= Grid point 211 (99/195) ======================= q-point: ( 0.18 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 18.138 -4.984 9.622) 21.128 1.196 ( 10.259 2.390 1.355) 10.620 1.253 ( 5.574 6.287 2.863) 8.877 1.418 ( -0.907 1.323 -3.859) 4.180 1.682 ( 16.548 5.811 -3.562) 17.897 1.911 ( 15.558 12.871 11.849) 23.411 2.099 ( -4.642 1.164 0.168) 4.789 2.137 ( -1.230 0.233 -1.060) 1.640 2.486 ( -4.011 0.360 -2.067) 4.526 2.592 ( -1.444 -1.282 -4.047) 4.484 2.636 ( 1.179 -7.786 2.643) 8.306 3.003 ( -2.570 5.162 -0.858) 5.830 3.030 ( 0.075 -4.114 -0.130) 4.117 3.242 ( -5.727 4.524 -3.231) 7.981 3.476 ( -3.399 5.347 3.793) 7.384 3.575 ( -3.141 1.496 0.259) 3.489 3.692 ( -1.193 -1.061 2.001) 2.560 3.892 ( -5.329 -3.872 -3.230) 7.336 9.943 ( 0.319 0.993 -0.544) 1.176 9.999 ( 0.506 0.328 0.373) 0.710 10.658 ( 4.934 -0.051 -1.250) 5.090 10.880 ( 5.612 -2.542 -2.817) 6.774 14.045 ( 10.811 1.761 -1.376) 11.039 15.275 ( 20.816 -12.565 -15.717) 28.952 16.727 ( 7.078 -0.363 -0.551) 7.109 16.850 ( 5.265 -2.167 3.162) 6.512 31.732 ( -4.910 -1.027 0.020) 5.016 31.972 ( -4.622 -10.646 1.638) 11.721 33.749 ( -3.493 18.086 -1.464) 18.478 33.838 ( -2.627 8.206 -1.449) 8.737 ======================= Grid point 212 (100/195) ======================= q-point: ( 0.27 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -0.428 3.156 -2.068) 3.798 1.361 ( 0.044 1.430 -2.469) 2.853 1.410 ( 16.316 -4.884 6.252) 18.142 1.511 ( 9.935 1.602 7.779) 12.720 1.899 ( 2.749 -0.230 -7.104) 7.621 1.996 ( 1.035 -0.220 -1.778) 2.069 2.106 ( 0.259 0.042 -2.625) 2.638 2.312 ( 13.728 4.968 -0.157) 14.600 2.429 ( 4.715 3.828 -0.305) 6.080 2.591 ( 2.258 0.049 2.414) 3.306 2.677 ( 1.126 -5.039 2.979) 5.960 2.963 ( -0.620 5.285 -0.955) 5.406 3.043 ( 1.126 -3.203 0.472) 3.428 3.121 ( -5.019 3.154 -2.440) 6.410 3.410 ( -5.292 4.868 2.252) 7.535 3.517 ( -3.232 0.453 1.538) 3.608 3.656 ( -3.221 -1.169 -0.490) 3.462 3.776 ( -5.049 -2.237 -0.528) 5.548 9.947 ( 0.371 1.644 -0.342) 1.719 10.013 ( 0.663 0.515 0.292) 0.889 10.753 ( 5.499 0.152 -1.354) 5.665 10.953 ( 3.534 -1.573 -1.737) 4.241 14.284 ( 13.421 2.126 0.183) 13.590 15.449 ( 7.415 -7.942 -12.088) 16.254 16.866 ( 6.986 -0.899 -0.764) 7.085 17.018 ( 10.163 -3.024 2.015) 10.793 31.639 ( -4.468 -0.467 -0.083) 4.493 31.877 ( -5.724 -6.952 0.729) 9.035 33.698 ( -1.515 11.361 0.440) 11.470 33.776 ( -2.995 6.221 -1.324) 7.030 ======================= Grid point 213 (101/195) ======================= q-point: ( 0.36 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -3.491 3.837 0.696) 5.233 1.357 ( 0.560 0.128 -1.810) 1.899 1.630 ( 2.495 -0.610 -0.370) 2.595 1.740 ( 4.867 -2.166 2.330) 5.814 1.777 ( -1.153 -1.541 -5.548) 5.873 2.031 ( 2.350 -4.122 -4.119) 6.283 2.129 ( 4.056 -0.522 -1.351) 4.306 2.417 ( 5.641 -1.753 -2.070) 6.259 2.617 ( 5.842 0.460 3.614) 6.885 2.706 ( 1.111 -0.807 0.674) 1.530 2.752 ( 9.247 1.195 1.616) 9.463 2.962 ( 0.072 3.148 -0.923) 3.282 3.047 ( -0.233 3.546 -0.421) 3.578 3.071 ( 0.864 -1.116 0.254) 1.434 3.309 ( -5.668 3.956 0.755) 6.953 3.475 ( -2.286 0.257 2.322) 3.269 3.581 ( -2.568 0.234 -1.817) 3.155 3.697 ( -4.016 -0.360 2.522) 4.756 9.954 ( 0.476 2.200 -0.033) 2.251 10.025 ( 0.366 0.952 0.110) 1.026 10.841 ( 4.319 0.281 -1.485) 4.576 11.003 ( 2.380 -0.953 -0.044) 2.564 14.525 ( 10.439 1.821 2.115) 10.806 15.468 ( 1.845 -5.124 -9.677) 11.104 16.981 ( 4.884 -0.833 0.696) 5.003 17.220 ( 9.311 -3.323 0.584) 9.904 31.570 ( -2.587 -0.199 0.148) 2.599 31.771 ( -5.301 -4.214 -0.094) 6.772 33.691 ( 0.202 6.596 0.960) 6.669 33.712 ( -2.828 4.754 -1.161) 5.652 ======================= Grid point 214 (102/195) ======================= q-point: (-0.55 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -0.153 3.625 2.913) 4.653 1.353 ( -0.058 -1.513 -1.402) 2.064 1.542 ( -8.875 -0.331 -7.519) 11.636 1.591 ( -3.332 -2.443 -8.318) 9.287 1.879 ( -0.298 -1.470 -0.995) 1.800 2.095 ( 5.755 -7.938 1.356) 9.898 2.245 ( 6.041 -0.734 2.411) 6.545 2.513 ( 4.590 -3.432 1.008) 5.819 2.695 ( -1.960 -2.211 -2.822) 4.086 2.730 ( 2.937 0.793 3.497) 4.635 2.858 ( 4.513 -0.288 -1.135) 4.663 2.954 ( -0.391 3.235 -0.402) 3.283 3.046 ( -1.529 4.956 -1.926) 5.532 3.075 ( -1.199 -1.171 0.655) 1.800 3.221 ( -3.595 4.695 0.205) 5.917 3.457 ( -0.733 0.689 1.981) 2.222 3.576 ( 0.977 1.850 0.874) 2.267 3.663 ( 0.539 -0.354 2.615) 2.693 9.964 ( 0.484 2.548 0.197) 2.601 10.027 ( -0.117 1.330 -0.055) 1.336 10.898 ( 2.512 0.342 -1.609) 3.002 11.040 ( 0.901 -0.839 1.159) 1.691 14.693 ( 5.186 1.162 3.654) 6.449 15.422 ( -0.921 -3.866 -9.235) 10.054 17.052 ( 1.668 -0.682 1.289) 2.216 17.364 ( 5.366 -3.548 0.071) 6.433 31.546 ( -0.101 -0.309 0.633) 0.712 31.681 ( -3.685 -2.522 -0.706) 4.522 33.657 ( -2.333 4.341 -0.373) 4.942 33.713 ( 1.596 3.978 0.359) 4.301 ======================= Grid point 215 (103/195) ======================= q-point: (-0.45 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.582 0.346 1.548) 1.690 1.277 ( -7.709 0.777 -3.843) 8.648 1.379 ( -0.635 0.325 -3.009) 3.093 1.519 ( 0.266 -4.793 -6.338) 7.951 1.790 ( -6.303 -4.283 -0.850) 7.668 2.184 ( 0.356 -4.910 1.250) 5.079 2.332 ( 0.730 -3.594 2.119) 4.236 2.535 ( -4.867 -0.942 -4.333) 6.584 2.661 ( 2.775 -1.418 2.171) 3.798 2.789 ( 1.510 2.106 2.685) 3.731 2.907 ( -0.424 -0.279 -2.671) 2.719 2.950 ( 0.168 2.815 -0.560) 2.875 2.999 ( -1.929 0.315 1.790) 2.650 3.029 ( -1.204 3.079 -1.765) 3.748 3.182 ( -0.471 4.604 0.930) 4.721 3.467 ( 0.620 1.048 1.432) 1.880 3.565 ( -1.707 2.298 1.081) 3.059 3.770 ( 7.228 -2.154 1.217) 7.640 9.972 ( 0.248 2.591 0.143) 2.606 10.021 ( -0.474 1.472 -0.024) 1.547 10.918 ( 0.663 0.080 -2.176) 2.276 11.040 ( -1.836 -0.907 1.469) 2.520 14.764 ( -0.377 0.341 5.008) 5.034 15.326 ( -3.378 -3.549 -10.348) 11.450 17.052 ( -2.408 -0.642 1.296) 2.809 17.425 ( 1.341 -4.537 -0.675) 4.779 31.571 ( 2.059 -0.780 0.890) 2.375 31.627 ( -1.329 -1.556 -0.676) 2.155 33.622 ( -1.148 5.658 0.070) 5.774 33.753 ( 2.382 3.099 -0.129) 3.911 ======================= Grid point 216 (104/195) ======================= q-point: (-0.36 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -10.520 -0.925 -0.670) 10.582 1.246 ( -4.312 -2.227 0.287) 4.862 1.355 ( 0.031 2.312 -1.648) 2.840 1.553 ( 5.058 -4.055 0.329) 6.491 1.702 ( -1.545 -3.081 1.372) 3.710 2.098 ( -8.030 -4.684 -2.839) 9.720 2.232 ( -11.325 2.206 -1.890) 11.692 2.385 ( -9.848 4.829 0.496) 10.980 2.708 ( 0.726 -2.358 -0.029) 2.467 2.837 ( 1.683 0.500 1.800) 2.515 2.878 ( 0.547 2.022 -0.074) 2.096 2.919 ( -1.998 -2.792 -3.197) 4.691 2.989 ( 0.283 -1.655 3.302) 3.704 3.058 ( 3.255 6.223 -1.956) 7.291 3.218 ( 3.245 2.528 2.252) 4.690 3.492 ( 1.409 0.860 -0.604) 1.758 3.547 ( -0.447 2.436 1.222) 2.762 3.908 ( 6.589 -4.068 -0.415) 7.755 9.972 ( -0.278 2.262 -0.302) 2.299 10.012 ( -0.491 1.360 0.325) 1.482 10.891 ( -2.060 -0.518 -3.361) 3.976 10.988 ( -4.265 -0.856 1.299) 4.539 14.735 ( -6.067 -0.555 6.322) 8.780 15.163 ( -7.088 -4.033 -13.074) 15.409 16.980 ( -5.497 -0.703 0.887) 5.612 17.410 ( -2.066 -6.727 -2.171) 7.364 31.603 ( 1.221 -0.992 -1.485) 2.163 31.650 ( 3.213 -1.558 2.520) 4.370 33.618 ( 0.814 9.168 0.328) 9.210 33.800 ( 2.737 3.634 -0.709) 4.604 ======================= Grid point 217 (105/195) ======================= q-point: (-0.27 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -6.188 1.461 11.062) 12.760 1.057 ( -13.499 -4.517 1.709) 14.336 1.364 ( -0.007 2.546 -0.494) 2.594 1.670 ( 4.182 -0.126 3.801) 5.653 1.732 ( 1.683 -1.476 0.691) 2.343 1.875 ( -12.145 -1.767 -6.285) 13.788 1.968 ( -12.993 7.461 2.170) 15.139 2.144 ( -13.216 7.776 -0.663) 15.348 2.718 ( -0.506 -3.883 0.816) 4.000 2.816 ( -4.903 -4.859 -5.039) 8.546 2.863 ( 2.235 1.644 -2.163) 3.518 2.923 ( 1.453 1.630 1.371) 2.578 3.038 ( 1.902 -3.126 2.327) 4.336 3.119 ( 4.838 5.123 -2.328) 7.421 3.319 ( 4.968 2.719 3.651) 6.738 3.507 ( 1.253 -0.024 -1.259) 1.776 3.574 ( 2.084 2.388 1.895) 3.692 4.010 ( 4.676 -4.920 -2.312) 7.171 9.961 ( -0.520 1.742 -0.605) 1.916 10.005 ( -0.547 0.931 0.494) 1.187 10.797 ( -5.340 -1.001 -4.058) 6.781 10.901 ( -5.274 -0.822 0.659) 5.378 14.604 ( -11.499 -1.400 6.657) 13.360 14.880 ( -14.313 -5.161 -16.544) 22.477 16.869 ( -5.988 -0.731 0.264) 6.038 17.320 ( -5.512 -9.600 -4.330) 11.887 31.633 ( 2.713 -0.653 -0.619) 2.858 31.740 ( 4.030 -2.781 3.350) 5.933 33.663 ( 3.968 15.356 -0.222) 15.862 33.847 ( 2.684 5.161 -1.225) 5.945 ======================= Grid point 218 (106/195) ======================= q-point: (-0.18 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -14.425 -0.932 5.364) 15.418 0.912 ( -0.439 4.405 20.811) 21.276 1.323 ( -3.896 2.064 -1.072) 4.537 1.493 ( -20.142 12.337 2.360) 23.737 1.642 ( -9.252 5.375 -5.109) 11.857 1.744 ( -2.154 1.024 -2.163) 3.219 1.919 ( 2.062 3.552 5.943) 7.224 1.997 ( 1.136 2.927 1.229) 3.372 2.666 ( -5.042 -5.177 -2.419) 7.621 2.712 ( -1.466 -1.995 -3.854) 4.581 2.885 ( 0.953 -2.061 -3.294) 4.001 2.971 ( 3.277 2.939 -0.016) 4.402 3.060 ( -0.549 -4.594 1.358) 4.822 3.221 ( 6.993 3.680 -2.092) 8.174 3.422 ( 2.786 4.410 3.760) 6.430 3.548 ( 3.097 -1.588 1.272) 3.706 3.647 ( 4.788 3.001 2.750) 6.285 4.056 ( 1.954 -3.392 -4.310) 5.822 9.949 ( -0.288 1.268 -0.725) 1.489 9.996 ( -0.555 0.342 0.474) 0.806 10.655 ( -6.776 -0.842 -3.510) 7.677 10.792 ( -6.435 -0.956 0.074) 6.506 14.349 ( -18.701 -2.634 -10.073) 21.403 14.443 ( -20.439 -4.030 -0.110) 20.833 16.770 ( -4.077 -0.640 -0.195) 4.131 17.150 ( -9.054 -10.791 -5.299) 15.050 31.702 ( 4.474 -1.036 0.951) 4.690 31.835 ( 3.472 -4.872 4.256) 7.342 33.771 ( 8.138 23.683 -3.193) 25.245 33.887 ( 2.382 7.450 -1.611) 7.985 ======================= Grid point 219 (107/195) ======================= q-point: (-0.09 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -8.236 5.085 9.514) 13.572 1.002 ( -10.171 8.483 14.264) 19.465 1.160 ( -9.421 15.173 10.076) 20.506 1.244 ( -1.720 3.917 -3.245) 5.370 1.459 ( -7.856 12.436 -0.154) 14.710 1.654 ( -1.804 3.256 -9.038) 9.774 2.025 ( 3.594 1.459 7.718) 8.638 2.093 ( 4.521 0.620 3.295) 5.628 2.583 ( -1.500 -5.186 -1.711) 5.663 2.679 ( -0.100 -1.811 -3.086) 3.580 2.851 ( -2.345 -2.506 -5.114) 6.159 3.027 ( 2.168 3.454 0.232) 4.085 3.055 ( -0.222 -7.824 1.137) 7.909 3.344 ( 6.516 1.792 -2.721) 7.285 3.472 ( 1.035 3.425 2.690) 4.476 3.609 ( 2.079 -0.694 0.874) 2.360 3.802 ( 7.207 0.737 4.411) 8.482 4.034 ( -0.625 3.646 -5.877) 6.944 9.940 ( -0.199 0.597 -0.815) 1.030 9.995 ( 0.290 0.563 0.297) 0.700 10.532 ( -3.244 -0.085 0.019) 3.245 10.667 ( -5.883 -0.919 0.188) 5.958 13.895 ( -12.262 0.201 -4.165) 12.952 14.163 ( -14.488 -2.088 7.068) 16.254 16.716 ( -1.468 -0.478 -0.251) 1.564 16.935 ( -10.223 -8.053 -2.773) 13.306 31.800 ( 4.262 -2.043 0.999) 4.830 31.923 ( 3.010 -9.435 5.321) 11.243 33.888 ( 4.039 17.465 -5.069) 18.629 33.938 ( 6.438 22.775 -6.783) 24.621 ======================= Grid point 220 (108/195) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 4.550 12.971 9.479) 16.697 1.057 ( -13.745 16.584 5.791) 22.304 1.359 ( 3.174 8.825 -3.275) 9.934 1.498 ( 1.260 5.532 -2.270) 6.111 1.654 ( -2.348 10.964 -3.291) 11.686 1.731 ( 3.658 12.611 10.171) 16.609 2.153 ( 2.051 2.908 0.793) 3.646 2.232 ( 1.186 5.688 5.961) 8.325 2.459 ( 1.847 -6.704 0.096) 6.954 2.519 ( -5.186 -8.248 0.384) 9.750 2.733 ( -2.924 0.643 -6.816) 7.444 2.922 ( 0.860 -4.270 -1.215) 4.522 3.153 ( 1.085 4.849 0.958) 5.060 3.427 ( 2.051 -0.656 -4.116) 4.645 3.572 ( 0.757 3.266 4.132) 5.321 3.626 ( 0.375 -0.876 1.637) 1.894 3.796 ( -1.665 -2.063 0.950) 2.816 4.033 ( -3.807 -4.233 -2.937) 6.406 9.941 ( 0.131 0.400 -0.488) 0.645 10.011 ( 0.022 -0.016 -0.448) 0.448 10.551 ( 4.091 -1.054 0.336) 4.238 10.571 ( -0.598 -1.701 0.324) 1.832 13.936 ( -1.410 -1.626 2.276) 3.132 13.992 ( 13.413 -3.121 2.841) 14.062 16.691 ( -2.517 -0.648 0.007) 2.599 16.698 ( -0.974 -2.068 1.338) 2.649 31.784 ( 0.936 -5.703 1.718) 6.029 31.803 ( -0.622 -3.087 0.382) 3.172 34.162 ( -0.003 13.567 -0.939) 13.599 34.473 ( 0.567 16.156 -14.726) 21.867 ======================= Grid point 221 (109/195) ======================= q-point: ( 0.09 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -5.117 13.509 9.770) 17.439 1.090 ( 8.705 11.066 7.180) 15.805 1.385 ( 0.844 7.610 -2.521) 8.061 1.489 ( -0.123 2.042 -3.403) 3.970 1.664 ( 6.024 11.544 -3.500) 13.483 1.917 ( 9.111 13.243 9.944) 18.901 2.174 ( -0.980 2.149 -0.130) 2.365 2.235 ( -3.834 4.591 5.969) 8.450 2.459 ( -0.604 -5.528 3.084) 6.359 2.501 ( 1.539 -3.922 -0.192) 4.218 2.643 ( -2.114 0.342 -7.105) 7.421 2.915 ( -0.605 -5.153 -2.250) 5.656 3.166 ( -0.177 5.573 0.231) 5.581 3.405 ( -1.939 -0.553 -4.521) 4.950 3.586 ( -1.934 2.321 3.101) 4.330 3.640 ( -0.482 -0.249 3.671) 3.711 3.731 ( -4.763 0.741 0.341) 4.832 3.904 ( -6.426 -6.013 -2.184) 9.068 9.949 ( 0.842 0.523 -0.413) 1.074 10.005 ( -0.140 0.280 -0.254) 0.403 10.581 ( 3.040 -0.378 -0.832) 3.174 10.687 ( 7.665 -3.513 -0.689) 8.460 13.942 ( 4.595 1.610 -0.363) 4.882 14.476 ( 29.743 -13.569 -3.178) 32.846 16.659 ( 0.274 0.220 1.028) 1.087 16.728 ( 2.286 -1.691 1.184) 3.080 31.771 ( -2.760 -2.494 0.085) 3.721 31.795 ( -0.740 -7.018 1.645) 7.246 34.129 ( -2.976 12.877 -0.746) 13.238 34.323 ( -7.456 16.576 -9.904) 20.699 ======================= Grid point 222 (110/195) ======================= q-point: ( 0.18 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 10.956 4.485 9.747) 15.335 1.285 ( 7.083 5.540 1.331) 9.090 1.387 ( 0.780 5.688 2.525) 6.272 1.472 ( 0.421 4.058 -0.963) 4.192 1.805 ( 8.859 4.948 -2.783) 10.522 2.082 ( -6.171 -0.171 0.728) 6.217 2.156 ( 4.202 3.063 -0.165) 5.202 2.230 ( 6.030 11.398 5.244) 13.920 2.492 ( 0.458 0.369 -1.672) 1.772 2.511 ( 0.688 -2.410 1.201) 2.780 2.596 ( 0.833 1.004 -0.890) 1.579 2.889 ( -0.034 -6.832 -2.025) 7.126 3.149 ( -1.247 6.439 -1.026) 6.638 3.308 ( -5.103 1.631 -3.232) 6.257 3.548 ( -3.253 0.843 2.386) 4.121 3.610 ( -4.390 1.525 1.432) 4.863 3.669 ( -2.513 -1.187 2.433) 3.694 3.787 ( -4.696 -5.560 -1.026) 7.350 9.966 ( 1.226 1.105 -0.486) 1.721 10.009 ( 0.695 0.558 0.045) 0.892 10.659 ( 5.317 0.261 -1.089) 5.433 10.817 ( 6.314 -3.183 -1.458) 7.220 14.104 ( 12.081 3.936 -1.210) 12.763 14.958 ( 22.393 -16.145 -8.346) 28.840 16.721 ( 5.661 -0.077 0.134) 5.663 16.802 ( 4.697 -2.209 2.310) 5.682 31.704 ( -4.015 -1.521 -0.084) 4.294 31.776 ( -2.090 -7.028 1.327) 7.451 34.046 ( -5.041 10.877 -0.743) 12.011 34.119 ( -8.836 14.751 -4.409) 17.752 ======================= Grid point 223 (111/195) ======================= q-point: ( 0.27 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 2.237 4.029 0.528) 4.638 1.325 ( 11.822 -1.770 3.982) 12.600 1.434 ( 0.968 5.127 -0.382) 5.231 1.562 ( 7.159 3.190 5.591) 9.628 1.884 ( -3.435 -0.749 -4.747) 5.907 1.957 ( -2.406 -3.821 0.240) 4.522 2.134 ( -0.812 2.298 -4.183) 4.842 2.383 ( 1.332 1.855 -5.362) 5.828 2.509 ( 5.966 2.723 2.237) 6.929 2.592 ( 5.145 -0.282 2.783) 5.856 2.656 ( 4.887 3.083 2.555) 6.318 2.909 ( 2.741 -6.289 -0.213) 6.864 3.106 ( -2.152 5.742 -2.402) 6.586 3.215 ( -2.443 5.351 -0.503) 5.904 3.495 ( -4.714 2.272 2.637) 5.860 3.515 ( -4.822 -0.374 0.658) 4.881 3.626 ( -2.493 -1.708 -0.446) 3.055 3.719 ( -2.846 -3.085 1.439) 4.437 9.989 ( 1.324 2.109 -0.319) 2.511 10.029 ( 1.202 0.994 0.248) 1.579 10.760 ( 5.626 0.580 -1.163) 5.774 10.911 ( 4.388 -2.253 -1.105) 5.055 14.355 ( 13.616 4.739 -0.471) 14.425 15.225 ( 11.276 -12.719 -9.076) 19.269 16.847 ( 6.733 -0.794 -0.457) 6.795 16.947 ( 8.846 -3.322 2.507) 9.776 31.626 ( -3.841 -0.684 -0.083) 3.902 31.733 ( -3.005 -5.906 0.765) 6.670 33.937 ( -5.662 8.337 -0.650) 10.099 33.951 ( -6.662 11.163 -1.326) 13.067 ======================= Grid point 224 (112/195) ======================= q-point: ( 0.36 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -3.252 3.619 -2.055) 5.282 1.411 ( -1.786 5.090 1.165) 5.518 1.607 ( 5.868 -1.481 1.724) 6.293 1.699 ( -6.246 -2.497 -1.554) 6.904 1.721 ( 5.639 -2.412 -2.927) 6.796 1.920 ( -1.707 -6.086 -5.440) 8.339 2.123 ( 2.422 0.162 -1.488) 2.847 2.390 ( 2.716 -0.152 -0.380) 2.747 2.612 ( 3.338 -1.688 3.091) 4.852 2.673 ( 1.062 -2.778 1.006) 3.139 2.772 ( 5.177 1.216 -0.691) 5.362 2.990 ( 4.729 -2.524 0.706) 5.406 3.062 ( -1.041 5.774 -1.149) 5.979 3.205 ( 0.430 7.274 -0.111) 7.288 3.388 ( -4.959 3.122 0.702) 5.902 3.477 ( -1.250 0.235 1.643) 2.078 3.584 ( -1.056 -0.178 -0.370) 1.133 3.681 ( -2.442 -1.384 2.465) 3.735 10.012 ( 1.173 3.052 0.023) 3.270 10.053 ( 0.944 1.626 0.282) 1.901 10.851 ( 4.372 0.682 -1.200) 4.585 10.976 ( 2.847 -1.560 -0.151) 3.250 14.587 ( 10.029 4.210 0.710) 10.900 15.316 ( 4.201 -9.110 -8.474) 13.132 16.963 ( 5.226 -0.634 0.432) 5.282 17.134 ( 8.629 -4.395 1.369) 9.780 31.565 ( -2.438 -0.258 0.083) 2.453 31.675 ( -3.171 -4.367 0.127) 5.398 33.834 ( -4.560 6.409 -0.007) 7.866 33.850 ( -3.461 7.392 -0.550) 8.180 ======================= Grid point 225 (113/195) ======================= q-point: (-0.55 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -2.199 -0.186 -1.266) 2.544 1.380 ( -1.974 4.902 1.872) 5.606 1.509 ( -7.137 -5.065 -4.772) 9.968 1.540 ( -6.270 0.160 -9.381) 11.285 1.822 ( -4.057 -4.743 -7.639) 9.864 1.929 ( 9.076 -6.363 3.830) 11.727 2.197 ( 3.527 -2.962 1.574) 4.868 2.476 ( 4.407 -0.501 2.061) 4.891 2.607 ( -2.484 -5.180 -1.160) 5.861 2.731 ( 3.827 -0.985 3.523) 5.294 2.853 ( 2.928 0.325 0.038) 2.946 3.035 ( -0.852 -0.882 -0.698) 1.411 3.051 ( 0.667 4.590 -0.458) 4.660 3.183 ( -2.103 6.192 -1.421) 6.692 3.335 ( -2.045 5.671 0.538) 6.052 3.478 ( 0.526 1.268 0.765) 1.572 3.604 ( 2.200 0.409 1.775) 2.856 3.655 ( -1.058 -0.404 2.278) 2.544 10.032 ( 0.755 3.599 0.265) 3.687 10.065 ( 0.187 2.174 0.224) 2.194 10.909 ( 2.326 0.704 -1.275) 2.744 11.016 ( 1.000 -1.420 0.642) 1.851 14.735 ( 4.536 2.991 1.819) 5.730 15.305 ( -0.016 -7.044 -8.389) 10.954 17.039 ( 1.972 -0.328 0.875) 2.182 17.269 ( 4.454 -5.070 0.754) 6.791 31.538 ( -0.415 -0.376 0.371) 0.672 31.620 ( -2.326 -2.974 -0.358) 3.793 33.769 ( -2.013 5.737 -0.030) 6.080 33.813 ( -0.303 4.927 -0.059) 4.936 ======================= Grid point 226 (114/195) ======================= q-point: (-0.45 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -4.292 -3.927 -2.989) 6.541 1.320 ( -6.473 -2.416 0.186) 6.912 1.396 ( -0.639 -2.087 -7.246) 7.568 1.425 ( 1.003 4.105 0.534) 4.260 1.685 ( -5.026 -5.252 -5.583) 9.166 2.064 ( 1.350 -6.404 1.516) 6.718 2.248 ( 1.280 -3.437 2.470) 4.422 2.473 ( -1.676 -4.644 -4.915) 6.967 2.658 ( 4.548 0.863 4.965) 6.789 2.820 ( 2.994 0.162 2.354) 3.812 2.869 ( -0.635 -1.423 -0.860) 1.780 2.973 ( -4.859 -1.224 -0.625) 5.050 3.054 ( -0.952 5.355 -0.727) 5.487 3.145 ( 0.335 6.000 -1.697) 6.244 3.297 ( -2.047 5.890 1.114) 6.335 3.498 ( 1.229 1.777 0.045) 2.161 3.612 ( -1.473 1.852 1.570) 2.840 3.715 ( 4.424 -2.865 1.969) 5.627 10.041 ( 0.008 3.612 0.177) 3.616 10.062 ( -0.559 2.368 0.245) 2.446 10.923 ( -0.053 0.404 -1.664) 1.713 11.015 ( -1.672 -1.454 0.880) 2.384 14.781 ( -1.138 1.490 2.973) 3.515 15.220 ( -3.689 -6.268 -9.165) 11.700 17.041 ( -2.343 -0.251 0.900) 2.522 17.308 ( -0.689 -6.118 0.253) 6.161 31.552 ( 1.401 -0.951 0.457) 1.754 31.588 ( -0.539 -1.947 -0.269) 2.038 33.763 ( 1.556 6.969 -0.012) 7.140 33.834 ( 2.427 4.179 -0.226) 4.838 ======================= Grid point 227 (115/195) ======================= q-point: (-0.36 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -6.914 -1.304 -0.865) 7.089 1.177 ( -8.752 -3.177 1.651) 9.456 1.429 ( 2.848 0.454 -2.104) 3.570 1.496 ( 4.828 2.105 3.955) 6.586 1.619 ( 1.580 -4.457 -1.260) 4.893 1.989 ( -6.393 -5.083 -3.529) 8.897 2.262 ( -2.517 0.488 0.496) 2.612 2.429 ( -1.899 -1.490 -1.750) 2.982 2.706 ( -3.727 2.154 0.901) 4.398 2.802 ( -2.531 -3.425 -1.872) 4.652 2.866 ( -1.269 0.353 0.255) 1.341 2.928 ( 1.380 -1.829 4.197) 4.782 3.009 ( -1.326 5.380 -2.600) 6.121 3.182 ( 3.176 4.907 -1.249) 5.977 3.286 ( 0.645 3.976 1.858) 4.436 3.522 ( 1.327 1.641 -1.213) 2.434 3.595 ( -0.840 1.999 1.587) 2.688 3.807 ( 4.091 -5.016 1.325) 6.607 10.031 ( -1.008 3.030 -0.257) 3.204 10.050 ( -0.900 2.183 0.401) 2.395 10.882 ( -3.101 -0.167 -2.315) 3.874 10.964 ( -3.948 -1.361 0.691) 4.233 14.725 ( -6.883 -0.160 4.240) 8.086 15.049 ( -8.665 -6.440 -10.784) 15.259 16.966 ( -5.567 -0.399 0.643) 5.619 17.249 ( -5.222 -7.700 -0.319) 9.309 31.579 ( 1.501 -1.128 -0.677) 1.996 31.612 ( 2.551 -1.892 1.383) 3.464 33.833 ( 6.035 9.924 -0.409) 11.622 33.898 ( 4.379 5.224 -0.674) 6.850 ======================= Grid point 228 (116/195) ======================= q-point: (-0.27 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -1.502 3.585 9.926) 10.660 1.013 ( -9.762 1.198 4.635) 10.872 1.421 ( -1.827 1.331 -0.159) 2.266 1.630 ( 3.868 -4.179 5.515) 7.927 1.703 ( 5.402 -0.242 0.488) 5.429 1.856 ( -2.785 1.813 -5.981) 6.842 2.153 ( -7.826 7.456 -1.533) 10.917 2.294 ( -10.654 5.135 -1.064) 11.875 2.651 ( -1.878 -1.767 2.070) 3.307 2.700 ( -5.476 -5.212 -2.891) 8.093 2.863 ( 0.125 -0.957 -1.206) 1.544 2.966 ( 0.173 -2.791 -0.075) 2.798 3.013 ( 2.644 5.377 0.040) 5.992 3.225 ( 2.666 4.795 -1.288) 5.635 3.365 ( 5.742 0.995 2.724) 6.432 3.526 ( 0.017 1.683 -1.220) 2.078 3.614 ( 1.811 1.296 1.727) 2.819 3.886 ( 3.635 -6.207 0.644) 7.222 10.006 ( -1.267 2.309 -0.493) 2.680 10.030 ( -1.376 1.403 0.250) 1.982 10.780 ( -5.906 -0.431 -2.520) 6.435 10.877 ( -5.340 -1.438 0.227) 5.535 14.568 ( -12.148 -1.795 4.752) 13.167 14.748 ( -16.240 -6.688 -11.754) 21.133 16.853 ( -6.028 -0.566 0.288) 6.061 17.115 ( -8.144 -8.709 -0.712) 11.945 31.616 ( 2.678 -0.801 -0.154) 2.799 31.679 ( 3.235 -2.742 1.574) 4.523 33.979 ( 6.750 9.612 -1.073) 11.795 33.998 ( 9.606 11.637 -2.149) 15.241 ======================= Grid point 229 (117/195) ======================= q-point: (-0.18 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -7.786 6.314 5.522) 11.445 1.051 ( 3.659 8.522 18.142) 20.375 1.377 ( -2.010 1.938 -1.276) 3.070 1.647 ( -2.313 -2.029 -0.241) 3.086 1.739 ( -4.195 6.546 -1.506) 7.919 1.839 ( -1.199 8.486 0.446) 8.582 2.023 ( -1.356 7.068 4.481) 8.478 2.125 ( -3.811 6.992 -3.595) 8.737 2.538 ( -6.377 -5.767 -2.273) 8.893 2.665 ( -1.125 -2.917 0.845) 3.239 2.849 ( 0.022 -1.232 -3.752) 3.949 2.952 ( -1.193 -4.426 -1.414) 4.797 3.069 ( 2.536 5.540 0.830) 6.149 3.291 ( 5.075 2.804 -1.895) 6.100 3.501 ( 5.663 -0.047 3.249) 6.529 3.522 ( 0.037 1.618 0.419) 1.672 3.681 ( 4.131 0.130 2.025) 4.603 3.959 ( 3.868 -5.694 0.147) 6.885 9.979 ( -1.123 1.463 -0.932) 2.066 10.006 ( -1.046 0.542 0.339) 1.226 10.643 ( -6.622 -0.137 -1.870) 6.883 10.764 ( -6.482 -1.677 -0.053) 6.696 14.282 ( -19.820 -3.163 -10.244) 22.534 14.355 ( -17.056 -3.962 5.893) 18.475 16.755 ( -4.079 -0.634 0.082) 4.129 16.947 ( -8.574 -7.585 -0.498) 11.458 31.676 ( 3.258 -1.295 0.687) 3.572 31.745 ( 2.683 -3.407 1.360) 4.545 34.074 ( 4.688 10.403 -1.224) 11.476 34.225 ( 14.806 16.170 -6.589) 22.893 ======================= Grid point 230 (118/195) ======================= q-point: (-0.09 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -1.534 11.705 7.914) 14.213 1.203 ( -1.484 10.700 13.936) 17.633 1.342 ( -0.074 5.835 -3.602) 6.858 1.519 ( -7.199 12.643 0.103) 14.549 1.670 ( -0.313 4.032 1.020) 4.171 1.757 ( -5.884 11.493 -0.612) 12.926 2.108 ( 2.440 4.378 -1.792) 5.322 2.129 ( 5.142 4.747 6.620) 9.633 2.448 ( -1.253 -7.115 -1.819) 7.450 2.617 ( -4.252 -4.797 0.178) 6.413 2.816 ( -1.316 -0.520 -5.599) 5.775 2.919 ( -0.704 -4.452 -0.767) 4.572 3.117 ( 1.974 5.085 1.002) 5.546 3.379 ( 4.899 1.009 -2.918) 5.791 3.536 ( 0.730 2.031 2.243) 3.113 3.592 ( 2.381 -0.382 1.848) 3.038 3.775 ( 3.055 -2.465 2.096) 4.450 4.037 ( 3.770 -4.045 -0.762) 5.582 9.953 ( -0.902 0.605 -0.913) 1.419 10.003 ( 0.539 0.099 0.076) 0.553 10.533 ( -3.278 0.228 0.106) 3.288 10.641 ( -5.716 -1.549 -0.031) 5.922 13.906 ( -10.207 0.870 -2.051) 10.448 14.106 ( -12.866 -3.127 5.532) 14.350 16.702 ( -1.507 -0.735 0.118) 1.680 16.796 ( -6.873 -4.653 0.221) 8.302 31.740 ( 2.593 -3.166 1.380) 4.319 31.792 ( 1.339 -3.563 0.899) 3.911 34.141 ( 2.828 12.634 -1.180) 13.000 34.436 ( 11.491 16.156 -12.898) 23.652 ======================= Grid point 231 (119/195) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 2.929 11.615 9.232) 15.124 1.374 ( -7.019 12.274 2.394) 14.340 1.486 ( 1.071 -1.231 0.841) 1.836 1.544 ( -1.494 4.550 -1.450) 5.004 1.869 ( 1.382 9.301 -0.798) 9.437 1.974 ( 0.860 8.707 3.892) 9.576 2.263 ( 3.622 5.186 2.043) 6.648 2.286 ( -1.317 -7.907 -1.179) 8.102 2.306 ( -1.404 -5.470 0.668) 5.687 2.396 ( 3.052 2.362 4.369) 5.829 2.773 ( -2.657 2.947 -5.275) 6.600 2.865 ( 0.076 -1.690 -2.363) 2.906 3.265 ( 0.397 5.874 1.296) 6.029 3.404 ( 0.698 -1.168 -3.397) 3.659 3.598 ( 1.345 -0.291 2.833) 3.149 3.631 ( -0.143 1.376 1.783) 2.256 3.741 ( -0.486 -2.732 0.960) 2.936 3.872 ( -4.168 -9.955 -0.097) 10.793 9.953 ( 0.131 0.802 -0.495) 0.952 9.999 ( 0.196 -1.016 -0.414) 1.114 10.531 ( 2.400 -0.535 0.583) 2.527 10.545 ( -0.553 -0.927 -0.249) 1.107 13.912 ( 1.959 -0.488 2.030) 2.863 13.943 ( 4.642 -1.746 2.377) 5.499 16.669 ( -1.255 -0.509 0.718) 1.533 16.680 ( -0.552 -0.610 -0.061) 0.825 31.711 ( 0.008 -1.340 0.208) 1.356 31.751 ( -0.173 -2.248 -0.004) 2.254 34.434 ( 0.056 11.565 -1.715) 11.691 34.662 ( 0.278 2.801 -9.398) 9.810 ======================= Grid point 232 (120/195) ======================= q-point: ( 0.09 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -6.310 12.933 6.605) 15.834 1.329 ( 2.469 10.810 5.270) 12.277 1.472 ( -2.660 -0.715 -0.693) 2.840 1.536 ( 1.509 2.824 0.433) 3.231 1.870 ( 0.948 7.816 -2.640) 8.304 2.088 ( 6.455 4.331 4.337) 8.901 2.151 ( -4.946 -5.110 -2.479) 7.532 2.381 ( 3.588 -1.422 1.126) 4.021 2.393 ( 5.276 4.262 6.831) 9.626 2.472 ( 2.393 4.454 3.242) 6.006 2.673 ( -3.700 2.697 -6.616) 8.046 2.829 ( -2.212 -3.368 -3.748) 5.503 3.280 ( 0.343 5.102 1.013) 5.213 3.377 ( -1.373 -1.290 -3.448) 3.929 3.600 ( -2.533 -0.405 1.768) 3.116 3.636 ( -0.889 -0.022 3.292) 3.410 3.711 ( -3.915 -2.491 0.426) 4.660 3.754 ( -5.866 -7.452 0.049) 9.484 9.962 ( 1.040 0.811 -0.424) 1.385 10.001 ( 0.456 -0.634 -0.444) 0.898 10.578 ( 3.987 0.191 -0.531) 4.026 10.627 ( 6.582 -2.216 -0.184) 6.948 13.993 ( 8.286 3.300 0.107) 8.920 14.238 ( 20.578 -9.106 0.065) 22.502 16.666 ( 1.059 0.443 0.642) 1.315 16.698 ( 1.943 -1.149 0.533) 2.320 31.701 ( -1.125 -1.836 0.288) 2.172 31.729 ( -1.982 -2.032 0.053) 2.839 34.380 ( -4.613 10.369 -1.303) 11.424 34.541 ( -7.151 4.630 -7.275) 11.203 ======================= Grid point 233 (121/195) ======================= q-point: ( 0.18 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 2.607 9.042 5.947) 11.132 1.376 ( 0.684 1.187 -1.802) 2.263 1.480 ( 2.421 4.846 6.343) 8.341 1.577 ( 2.064 3.976 1.618) 4.764 1.882 ( 1.095 2.817 -1.451) 3.353 2.026 ( -6.703 -4.020 -0.203) 7.819 2.235 ( 2.745 5.172 1.492) 6.042 2.420 ( 2.342 4.191 -0.602) 4.839 2.505 ( 1.341 0.480 -2.374) 2.769 2.532 ( 2.130 2.718 2.523) 4.277 2.620 ( 2.963 1.462 0.340) 3.321 2.755 ( -1.395 -4.957 -3.885) 6.450 3.277 ( -1.204 5.457 -0.971) 5.672 3.329 ( -1.493 1.187 -0.516) 1.976 3.548 ( -3.289 -0.254 1.251) 3.528 3.600 ( -4.331 -2.553 0.383) 5.042 3.629 ( -3.647 -2.538 2.737) 5.218 3.683 ( -2.831 -3.856 0.786) 4.848 9.988 ( 1.880 1.009 -0.340) 2.161 10.016 ( 1.399 -0.013 -0.265) 1.424 10.673 ( 5.869 1.097 -0.862) 6.032 10.755 ( 6.607 -2.673 -0.791) 7.171 14.215 ( 14.296 6.711 -1.202) 15.838 14.639 ( 20.649 -13.734 -3.689) 25.072 16.725 ( 4.727 0.389 0.441) 4.763 16.763 ( 4.400 -1.516 1.326) 4.839 31.670 ( -2.463 -1.557 0.049) 2.915 31.684 ( -2.462 -2.148 0.477) 3.302 34.253 ( -7.621 8.242 -0.906) 11.262 34.336 ( -10.148 5.796 -4.083) 12.379 ======================= Grid point 234 (122/195) ======================= q-point: ( 0.27 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 9.458 1.647 5.038) 10.842 1.387 ( 1.402 1.582 -1.924) 2.859 1.555 ( 1.122 5.825 1.532) 6.127 1.642 ( 4.106 3.889 2.581) 6.216 1.856 ( -9.800 -3.839 1.514) 10.633 1.876 ( -3.126 -1.095 -2.403) 4.092 2.202 ( -2.357 4.765 -4.356) 6.873 2.415 ( -1.519 1.424 -5.243) 5.642 2.521 ( 1.258 -1.542 1.190) 2.319 2.562 ( 0.782 -4.881 1.739) 5.241 2.719 ( 5.593 3.013 0.611) 6.382 2.815 ( 7.363 -1.493 0.238) 7.517 3.232 ( -2.220 6.104 -0.937) 6.562 3.322 ( 0.180 4.180 0.818) 4.263 3.495 ( -3.156 -0.883 0.105) 3.279 3.519 ( -4.066 0.189 1.575) 4.365 3.580 ( -1.652 -2.626 0.484) 3.140 3.650 ( -1.712 -3.366 1.906) 4.230 10.028 ( 2.274 1.544 -0.090) 2.750 10.049 ( 1.952 0.659 0.062) 2.061 10.780 ( 5.656 1.359 -0.949) 5.894 10.863 ( 5.102 -2.306 -0.820) 5.658 14.487 ( 14.012 7.893 -1.593) 16.161 14.945 ( 13.781 -13.281 -5.807) 20.001 16.839 ( 6.512 0.085 0.129) 6.514 16.887 ( 7.539 -2.285 1.910) 8.106 31.613 ( -3.074 -0.484 -0.006) 3.112 31.643 ( -2.282 -2.680 0.475) 3.552 34.094 ( -8.080 6.081 -0.597) 10.131 34.129 ( -9.283 5.362 -1.647) 10.846 ======================= Grid point 235 (123/195) ======================= q-point: ( 0.36 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -5.077 4.699 -4.228) 8.107 1.504 ( 2.120 1.146 5.244) 5.772 1.580 ( 2.364 -0.865 -3.460) 4.279 1.635 ( -8.638 -1.186 2.065) 8.961 1.710 ( 0.098 0.083 -4.311) 4.313 1.794 ( -1.600 -4.917 -5.782) 7.757 2.158 ( 0.085 3.678 -1.862) 4.123 2.401 ( 2.227 -0.542 -1.553) 2.769 2.525 ( -1.403 -4.864 2.927) 5.847 2.602 ( 2.146 -3.460 2.984) 5.048 2.823 ( 4.637 3.363 -0.117) 5.729 2.951 ( 5.479 -1.805 -0.325) 5.778 3.188 ( -1.804 5.959 -0.624) 6.257 3.320 ( -1.742 2.531 0.355) 3.093 3.440 ( -0.760 2.403 0.328) 2.542 3.493 ( -0.214 1.219 0.693) 1.418 3.570 ( 0.024 -0.989 1.090) 1.472 3.637 ( -0.847 -2.648 2.155) 3.518 10.069 ( 1.917 2.182 0.218) 2.913 10.086 ( 1.623 1.292 0.323) 2.099 10.871 ( 4.231 1.227 -0.895) 4.495 10.940 ( 3.339 -1.824 -0.405) 3.827 14.706 ( 9.378 7.123 -1.389) 11.858 15.103 ( 6.646 -10.727 -6.406) 14.152 16.961 ( 5.703 0.552 0.524) 5.754 17.049 ( 7.499 -3.575 1.467) 8.436 31.561 ( -2.217 -0.009 0.045) 2.217 31.602 ( -2.153 -2.488 0.146) 3.294 33.954 ( -5.992 4.567 -0.188) 7.537 33.974 ( -5.995 4.013 -0.497) 7.231 ======================= Grid point 236 (124/195) ======================= q-point: (-0.55 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -6.966 0.889 -3.662) 7.920 1.369 ( -11.233 -6.675 -3.624) 13.560 1.509 ( -1.653 3.959 -1.126) 4.435 1.567 ( -4.129 2.800 -8.997) 10.288 1.704 ( -1.066 -4.328 -4.818) 6.564 1.828 ( 6.429 -4.347 1.174) 7.849 2.173 ( 1.167 1.424 1.232) 2.215 2.406 ( -1.860 -6.832 -2.610) 7.547 2.563 ( 4.145 1.730 5.529) 7.123 2.690 ( 4.269 -2.816 4.440) 6.773 2.880 ( 1.282 2.197 -0.709) 2.640 2.996 ( -0.079 -2.395 -1.756) 2.971 3.165 ( -0.225 5.437 -0.100) 5.443 3.276 ( -2.127 2.017 -0.246) 2.942 3.442 ( -0.653 4.243 0.250) 4.301 3.508 ( 1.459 1.347 -0.244) 2.001 3.597 ( 1.664 -0.519 2.635) 3.159 3.639 ( -0.299 -1.265 1.879) 2.285 10.100 ( 0.972 2.540 0.399) 2.748 10.110 ( 0.572 1.790 0.414) 1.924 10.927 ( 2.036 1.024 -0.877) 2.442 10.984 ( 1.220 -1.599 0.024) 2.011 14.823 ( 3.568 5.487 -0.874) 6.603 15.138 ( 1.174 -8.517 -6.571) 10.821 17.046 ( 2.336 1.081 0.736) 2.677 17.166 ( 3.518 -4.501 1.063) 5.810 31.533 ( -0.712 -0.056 0.122) 0.724 31.567 ( -1.378 -1.947 -0.136) 2.389 33.875 ( -1.935 3.985 0.063) 4.431 33.899 ( -1.606 2.897 -0.153) 3.316 ======================= Grid point 237 (125/195) ======================= q-point: (-0.45 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -3.876 -1.897 -3.351) 5.464 1.174 ( -6.056 -7.188 -1.120) 9.466 1.412 ( -2.835 1.702 -7.563) 8.254 1.529 ( 1.277 -0.502 -3.652) 3.902 1.621 ( -3.083 3.755 -1.807) 5.184 1.921 ( 0.890 -7.046 1.181) 7.200 2.213 ( 2.154 0.233 2.273) 3.140 2.359 ( -0.231 -5.701 -3.679) 6.789 2.691 ( 4.694 2.102 5.401) 7.458 2.796 ( 3.757 -2.224 4.393) 6.193 2.862 ( -2.192 0.832 -1.683) 2.886 2.943 ( -3.629 -1.877 -3.107) 5.133 3.164 ( -0.658 4.836 -0.129) 4.882 3.241 ( -0.969 2.575 -0.878) 2.888 3.417 ( -1.800 5.274 0.585) 5.604 3.530 ( 0.922 0.813 -0.486) 1.322 3.635 ( -0.418 0.242 1.871) 1.932 3.659 ( 2.012 -2.121 2.382) 3.771 10.108 ( -0.451 2.400 0.285) 2.459 10.111 ( -0.537 2.043 0.429) 2.155 10.935 ( -0.656 0.761 -1.078) 1.473 10.983 ( -1.375 -1.492 0.145) 2.034 14.833 ( -2.193 3.624 -0.079) 4.237 15.076 ( -3.728 -7.164 -6.838) 10.582 17.050 ( -2.339 1.264 0.720) 2.754 17.187 ( -1.917 -5.171 0.778) 5.570 31.536 ( 0.857 -0.474 0.141) 0.990 31.553 ( 0.126 -1.343 -0.049) 1.349 33.886 ( 3.174 4.363 -0.055) 5.395 33.911 ( 2.862 2.778 -0.263) 3.997 ======================= Grid point 238 (126/195) ======================= q-point: (-0.36 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -1.635 1.705 0.660) 2.452 1.127 ( -2.331 -2.099 3.727) 4.871 1.377 ( 2.490 -2.469 -2.398) 4.248 1.472 ( -3.257 -5.749 -2.612) 7.105 1.666 ( 5.638 7.678 2.195) 9.776 1.899 ( -0.889 -3.730 -2.443) 4.546 2.260 ( 0.481 -0.139 0.650) 0.820 2.355 ( 1.341 -4.404 -2.381) 5.183 2.757 ( -3.396 2.111 0.519) 4.032 2.772 ( -4.176 0.613 -0.406) 4.241 2.851 ( -2.344 -1.650 -0.785) 2.972 2.886 ( 2.166 -2.070 2.833) 4.123 3.131 ( -1.348 5.401 -1.639) 5.803 3.242 ( 1.681 0.727 -0.939) 2.058 3.390 ( -1.260 5.623 1.052) 5.858 3.541 ( 0.658 -0.282 -0.732) 1.024 3.630 ( -0.699 1.353 1.509) 2.144 3.714 ( 2.143 -3.641 2.159) 4.745 10.086 ( -1.736 2.043 0.115) 2.684 10.095 ( -1.492 1.742 0.188) 2.301 10.887 ( -3.681 0.583 -1.378) 3.973 10.934 ( -3.720 -1.456 -0.049) 3.995 14.738 ( -8.059 1.596 0.995) 8.276 14.911 ( -9.542 -6.303 -7.185) 13.506 16.972 ( -5.810 1.101 0.565) 5.940 17.108 ( -6.313 -5.574 0.572) 8.441 31.561 ( 1.749 -0.535 -0.132) 1.834 31.577 ( 2.154 -1.323 0.573) 2.592 33.994 ( 7.562 4.843 -0.412) 8.990 34.001 ( 7.348 4.315 -0.996) 8.580 ======================= Grid point 239 (127/195) ======================= q-point: (-0.27 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 3.312 7.034 7.054) 10.498 1.089 ( -2.953 5.071 6.892) 9.052 1.381 ( -2.340 -4.212 -0.010) 4.819 1.488 ( 4.011 -8.297 4.254) 10.150 1.786 ( 5.299 6.702 0.570) 8.563 1.918 ( 5.047 2.751 -3.683) 6.827 2.230 ( -1.872 0.360 -3.447) 3.939 2.327 ( -4.989 -1.847 -1.311) 5.479 2.641 ( -5.552 0.555 0.540) 5.605 2.658 ( -7.322 1.212 0.413) 7.433 2.840 ( -0.060 -0.778 -1.135) 1.377 2.909 ( -0.473 -2.740 -0.563) 2.837 3.135 ( 2.712 5.653 -0.417) 6.284 3.292 ( 3.219 -0.082 0.010) 3.220 3.393 ( 1.420 3.546 1.222) 4.010 3.546 ( 0.300 -0.664 -0.586) 0.935 3.636 ( 0.676 1.307 1.342) 1.992 3.767 ( 2.272 -4.979 1.808) 5.764 10.048 ( -2.104 1.568 -0.180) 2.630 10.058 ( -2.290 1.038 -0.097) 2.516 10.783 ( -6.038 0.753 -1.428) 6.250 10.843 ( -5.528 -1.716 -0.294) 5.795 14.540 ( -13.294 -0.625 1.846) 13.436 14.623 ( -16.240 -4.881 -6.489) 18.157 16.854 ( -6.311 0.769 0.385) 6.369 16.970 ( -7.851 -5.184 0.443) 9.418 31.604 ( 2.646 -0.307 0.114) 2.666 31.631 ( 2.942 -1.736 0.596) 3.468 34.136 ( 8.238 6.362 -1.136) 10.470 34.195 ( 12.759 5.390 -2.442) 14.064 ======================= Grid point 240 (128/195) ======================= q-point: (-0.18 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -2.382 9.237 4.722) 10.644 1.249 ( 7.271 9.481 13.996) 18.402 1.357 ( 0.310 -3.820 0.157) 3.835 1.575 ( 1.672 -4.357 4.688) 6.615 1.870 ( 3.041 6.608 -2.083) 7.566 2.004 ( 3.813 6.941 -0.245) 7.923 2.179 ( -4.971 -0.785 -2.369) 5.563 2.189 ( -1.260 4.122 -2.093) 4.792 2.478 ( -8.950 0.537 -0.902) 9.011 2.586 ( -4.532 -4.103 2.220) 6.504 2.834 ( 0.869 -0.032 -2.728) 2.863 2.884 ( -0.458 -2.038 -3.087) 3.727 3.203 ( 3.168 6.766 1.266) 7.578 3.341 ( 2.500 1.712 -0.686) 3.107 3.467 ( 4.297 -1.083 1.779) 4.775 3.558 ( 1.384 -0.133 0.638) 1.530 3.671 ( 2.103 -0.181 1.327) 2.493 3.825 ( 2.762 -6.682 1.708) 7.429 10.005 ( -2.115 0.941 -0.823) 2.457 10.016 ( -1.662 0.359 0.051) 1.701 10.652 ( -6.531 1.028 -0.969) 6.682 10.724 ( -6.536 -2.013 -0.291) 6.845 14.235 ( -18.125 -1.136 -5.035) 18.846 14.281 ( -15.791 -2.978 3.897) 16.535 16.751 ( -4.391 0.386 0.281) 4.417 16.832 ( -6.538 -3.806 0.322) 7.572 31.656 ( 2.531 -0.441 0.278) 2.585 31.690 ( 2.760 -1.981 0.367) 3.417 34.285 ( 7.719 9.088 -1.652) 12.038 34.435 ( 13.720 4.279 -5.279) 15.311 ======================= Grid point 241 (129/195) ======================= q-point: (-0.09 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 1.435 11.654 6.952) 13.646 1.388 ( 2.243 0.294 1.113) 2.522 1.441 ( 4.079 7.439 8.268) 11.846 1.590 ( -2.383 0.777 1.478) 2.910 1.854 ( -1.371 9.508 -1.213) 9.683 2.000 ( -3.267 10.146 1.760) 10.804 2.190 ( 2.597 2.591 4.843) 6.076 2.211 ( 5.578 -0.915 -3.979) 6.913 2.342 ( -3.153 0.128 -1.092) 3.339 2.472 ( -7.886 -8.289 0.516) 11.452 2.828 ( -0.143 1.367 -4.252) 4.469 2.868 ( 0.487 -0.960 -2.079) 2.341 3.248 ( 0.840 7.248 1.358) 7.422 3.388 ( 2.714 0.062 -2.214) 3.503 3.541 ( 2.757 -0.508 1.788) 3.325 3.605 ( 1.893 0.623 1.708) 2.625 3.722 ( 1.836 -2.087 1.341) 3.087 3.885 ( 1.887 -9.306 1.390) 9.596 9.967 ( -1.203 0.751 -0.748) 1.604 9.998 ( -0.218 -0.537 -0.177) 0.606 10.544 ( -3.779 0.880 0.020) 3.880 10.605 ( -5.211 -1.782 -0.121) 5.509 13.933 ( -9.383 1.711 -0.165) 9.539 14.038 ( -11.084 -3.161 3.588) 12.072 16.692 ( -2.019 -0.105 0.306) 2.044 16.730 ( -4.137 -2.009 0.183) 4.603 31.696 ( 1.387 -0.859 0.237) 1.649 31.735 ( 1.672 -2.150 0.119) 2.726 34.397 ( 4.717 11.119 -1.878) 12.223 34.622 ( 9.069 2.649 -8.440) 12.669 ======================= Grid point 242 (130/195) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 2.423 -7.874 6.362) 10.409 1.359 ( 2.423 7.874 6.362) 10.409 1.571 ( -3.999 -3.768 0.318) 5.504 1.571 ( -3.999 3.768 0.318) 5.504 2.069 ( 1.949 -10.046 0.208) 10.236 2.069 ( 1.949 10.046 0.208) 10.236 2.132 ( -3.357 -7.433 -1.007) 8.218 2.132 ( -3.357 7.433 -1.007) 8.218 2.408 ( 5.266 -3.391 3.651) 7.249 2.408 ( 5.266 3.391 3.651) 7.249 2.830 ( -1.440 -2.051 -3.438) 4.254 2.830 ( -1.440 2.051 -3.438) 4.254 3.371 ( -0.334 -3.003 -0.950) 3.167 3.371 ( -0.334 3.003 -0.950) 3.167 3.631 ( 0.782 -3.115 2.146) 3.863 3.631 ( 0.782 3.115 2.146) 3.863 3.709 ( -2.268 -1.873 0.591) 3.000 3.709 ( -2.268 1.873 0.591) 3.000 9.974 ( 0.174 -1.163 -0.454) 1.261 9.974 ( 0.174 1.163 -0.454) 1.261 10.530 ( 0.711 -0.411 0.087) 0.826 10.530 ( 0.711 0.411 0.087) 0.826 13.916 ( 2.562 -0.799 2.016) 3.356 13.916 ( 2.562 0.799 2.016) 3.356 16.669 ( -0.672 -0.372 0.186) 0.791 16.669 ( -0.672 0.372 0.186) 0.791 31.713 ( -0.128 -1.196 -0.121) 1.209 31.713 ( -0.128 1.196 -0.121) 1.209 34.623 ( 0.135 -5.929 -4.606) 7.509 34.623 ( 0.135 5.929 -4.606) 7.509 ======================= Grid point 244 (131/195) ======================= q-point: ( 0.09 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -4.366 -6.873 3.362) 8.809 1.380 ( -4.366 6.873 3.362) 8.809 1.518 ( 0.159 -5.119 3.285) 6.085 1.518 ( 0.159 5.119 3.285) 6.085 2.008 ( -3.098 -6.091 -1.864) 7.083 2.008 ( -3.098 6.091 -1.864) 7.083 2.225 ( 7.861 -7.369 0.875) 10.810 2.225 ( 7.861 7.369 0.875) 10.810 2.521 ( 3.255 -1.442 4.469) 5.714 2.521 ( 3.255 1.442 4.469) 5.714 2.752 ( -4.104 -4.231 -5.024) 7.745 2.752 ( -4.104 4.231 -5.024) 7.745 3.357 ( -0.538 -1.698 -0.366) 1.818 3.357 ( -0.538 1.698 -0.366) 1.818 3.611 ( -3.521 -3.073 0.966) 4.772 3.611 ( -3.521 3.073 0.966) 4.772 3.666 ( -2.455 -1.927 1.330) 3.393 3.666 ( -2.455 1.927 1.330) 3.393 9.982 ( 0.940 -1.014 -0.460) 1.458 9.982 ( 0.940 1.014 -0.460) 1.458 10.592 ( 5.270 -1.153 -0.287) 5.402 10.592 ( 5.270 1.153 -0.287) 5.402 14.086 ( 13.467 -5.684 0.469) 14.625 14.086 ( 13.467 5.684 0.469) 14.625 16.678 ( 1.561 -0.751 0.409) 1.780 16.678 ( 1.561 0.751 0.409) 1.780 31.696 ( -1.515 -0.959 -0.017) 1.793 31.696 ( -1.515 0.959 -0.017) 1.793 34.539 ( -6.013 -4.297 -3.721) 8.274 34.539 ( -6.013 4.297 -3.721) 8.274 ======================= Grid point 246 (132/195) ======================= q-point: ( 0.18 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -1.183 -5.850 1.415) 6.134 1.321 ( -1.183 5.850 1.415) 6.134 1.582 ( 2.881 -3.377 5.034) 6.711 1.582 ( 2.881 3.377 5.034) 6.711 1.945 ( -3.422 -3.477 -1.080) 4.996 1.945 ( -3.422 3.477 -1.080) 4.996 2.372 ( 5.062 -6.811 2.516) 8.851 2.372 ( 5.062 6.811 2.516) 8.851 2.529 ( -3.944 -1.370 -4.929) 6.459 2.529 ( -3.944 1.370 -4.929) 6.459 2.686 ( 2.054 -3.129 -0.070) 3.744 2.686 ( 2.054 3.129 -0.070) 3.744 3.351 ( -0.297 -0.854 0.815) 1.218 3.351 ( -0.297 0.854 0.815) 1.218 3.544 ( -3.288 -1.292 -0.042) 3.533 3.544 ( -3.288 1.292 -0.042) 3.533 3.621 ( -3.133 -2.032 1.714) 4.109 3.621 ( -3.133 2.032 1.714) 4.109 10.007 ( 1.955 -0.752 -0.319) 2.118 10.007 ( 1.955 0.752 -0.319) 2.118 10.706 ( 6.388 -1.986 -0.717) 6.728 10.706 ( 6.388 1.986 -0.717) 6.728 14.390 ( 17.371 -10.069 -1.761) 20.156 14.390 ( 17.371 10.069 -1.761) 20.156 16.738 ( 4.375 -0.881 0.732) 4.523 16.738 ( 4.375 0.881 0.732) 4.523 31.658 ( -2.339 -0.464 0.147) 2.389 31.658 ( -2.339 0.464 0.147) 2.389 34.369 ( -9.430 -2.334 -2.327) 9.990 34.369 ( -9.430 2.334 -2.327) 9.990 ======================= Grid point 248 (133/195) ======================= q-point: ( 0.27 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 4.884 -2.527 1.344) 5.661 1.370 ( 4.884 2.527 1.344) 5.661 1.656 ( 1.201 -3.160 2.041) 3.949 1.656 ( 1.201 3.160 2.041) 3.949 1.839 ( -7.147 -2.162 -0.287) 7.473 1.839 ( -7.147 2.162 -0.287) 7.473 2.348 ( -4.084 -8.422 -5.504) 10.858 2.348 ( -4.084 8.422 -5.504) 10.858 2.489 ( 1.210 -1.747 1.685) 2.712 2.489 ( 1.210 1.747 1.685) 2.712 2.785 ( 6.464 -2.427 0.474) 6.921 2.785 ( 6.464 2.427 0.474) 6.921 3.341 ( -1.701 -3.217 0.991) 3.772 3.341 ( -1.701 3.217 0.991) 3.772 3.496 ( -1.120 -1.986 -0.887) 2.447 3.496 ( -1.120 1.986 -0.887) 2.447 3.580 ( -1.866 -2.931 2.214) 4.120 3.580 ( -1.866 2.931 2.214) 4.120 10.051 ( 2.499 -0.542 0.007) 2.558 10.051 ( 2.499 0.542 0.007) 2.558 10.817 ( 5.496 -2.038 -0.825) 5.919 10.817 ( 5.496 2.038 -0.825) 5.919 14.686 ( 14.348 -11.100 -3.303) 18.439 14.686 ( 14.348 11.100 -3.303) 18.439 16.851 ( 6.734 -1.153 0.955) 6.899 16.851 ( 6.734 1.153 0.955) 6.899 31.612 ( -2.504 -0.542 0.186) 2.568 31.612 ( -2.504 0.542 0.186) 2.568 34.173 ( -9.488 -1.052 -1.115) 9.611 34.173 ( -9.488 1.052 -1.115) 9.611 ======================= Grid point 250 (134/195) ======================= q-point: ( 0.36 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -2.363 -4.879 -3.313) 6.354 1.442 ( -2.363 4.879 -3.313) 6.354 1.601 ( -3.929 -2.501 3.880) 6.061 1.601 ( -3.929 2.501 3.880) 6.061 1.733 ( -1.415 -1.955 -6.480) 6.915 1.733 ( -1.415 1.955 -6.480) 6.915 2.284 ( -0.806 -7.769 -2.166) 8.105 2.284 ( -0.806 7.769 -2.166) 8.105 2.529 ( 1.921 -3.187 4.005) 5.467 2.529 ( 1.921 3.187 4.005) 5.467 2.897 ( 4.494 -3.323 -0.492) 5.611 2.897 ( 4.494 3.323 -0.492) 5.611 3.297 ( -2.676 -3.895 0.264) 4.733 3.297 ( -2.676 3.895 0.264) 4.733 3.493 ( 0.869 -1.937 -0.654) 2.222 3.493 ( 0.869 1.937 -0.654) 2.222 3.579 ( 0.218 -2.391 2.502) 3.467 3.579 ( 0.218 2.391 2.502) 3.467 10.097 ( 2.093 -0.364 0.323) 2.149 10.097 ( 2.093 0.364 0.323) 2.149 10.902 ( 3.826 -1.706 -0.658) 4.241 10.902 ( 3.826 1.706 -0.658) 4.241 14.884 ( 8.354 -9.733 -3.884) 13.402 14.884 ( 8.354 9.733 -3.884) 13.402 16.989 ( 6.437 -2.098 0.995) 6.843 16.989 ( 6.437 2.098 0.995) 6.843 31.568 ( -2.024 -0.835 0.076) 2.191 31.568 ( -2.024 0.835 0.076) 2.191 34.010 ( -6.671 -0.606 -0.349) 6.708 34.010 ( -6.671 0.606 -0.349) 6.708 ======================= Grid point 252 (135/195) ======================= q-point: (-0.55 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -10.712 -4.798 -4.390) 12.531 1.242 ( -10.712 4.798 -4.390) 12.531 1.565 ( -2.810 -2.477 -6.887) 7.839 1.565 ( -2.810 2.477 -6.887) 7.840 1.731 ( 2.809 -4.834 0.036) 5.591 1.731 ( 2.809 4.834 0.036) 5.591 2.258 ( -1.066 -6.240 -0.544) 6.354 2.258 ( -1.066 6.240 -0.544) 6.354 2.623 ( 4.663 -3.331 5.222) 7.753 2.623 ( 4.663 3.331 5.222) 7.753 2.937 ( 0.321 -3.038 -1.646) 3.470 2.937 ( 0.321 3.038 -1.646) 3.470 3.261 ( -1.232 -3.137 0.290) 3.382 3.261 ( -1.232 3.137 0.290) 3.382 3.507 ( 0.671 -1.807 -0.433) 1.975 3.507 ( 0.671 1.807 -0.433) 1.975 3.607 ( 0.893 -1.481 2.420) 2.975 3.607 ( 0.893 1.481 2.420) 2.975 10.129 ( 0.904 -0.166 0.472) 1.033 10.129 ( 0.904 0.166 0.472) 1.033 10.952 ( 1.612 -1.370 -0.478) 2.169 10.952 ( 1.612 1.370 -0.478) 2.169 14.964 ( 2.411 -7.764 -3.886) 9.011 14.964 ( 2.411 7.764 -3.886) 9.011 17.087 ( 2.814 -2.901 0.919) 4.145 17.087 ( 2.814 2.901 0.919) 4.145 31.539 ( -0.953 -0.739 -0.026) 1.206 31.539 ( -0.953 0.739 -0.026) 1.206 33.925 ( -1.987 -0.578 -0.038) 2.070 33.925 ( -1.987 0.578 -0.038) 2.070 ======================= Grid point 254 (136/195) ======================= q-point: (-0.45 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -4.331 -2.579 -2.460) 5.610 1.069 ( -4.331 2.579 -2.460) 5.610 1.461 ( -2.873 -3.175 -7.495) 8.632 1.461 ( -2.873 3.175 -7.495) 8.632 1.769 ( 0.751 -7.556 1.336) 7.710 1.769 ( 0.751 7.556 1.336) 7.710 2.256 ( 1.240 -3.726 -0.523) 3.961 2.256 ( 1.240 3.726 -0.523) 3.961 2.742 ( 4.179 -2.673 5.002) 7.045 2.742 ( 4.179 2.673 5.002) 7.045 2.897 ( -2.953 -2.225 -2.746) 4.606 2.897 ( -2.953 2.225 -2.746) 4.606 3.243 ( -1.042 -2.255 -0.207) 2.493 3.243 ( -1.042 2.255 -0.207) 2.493 3.508 ( -0.351 -3.080 -0.241) 3.109 3.508 ( -0.351 3.080 -0.241) 3.109 3.636 ( 0.673 -0.460 2.255) 2.398 3.636 ( 0.673 0.460 2.255) 2.398 10.135 ( -0.603 -0.084 0.417) 0.738 10.135 ( -0.603 0.084 0.417) 0.738 10.955 ( -1.044 -1.137 -0.508) 1.625 10.955 ( -1.044 1.137 -0.508) 1.625 14.935 ( -3.187 -5.969 -3.591) 7.660 14.935 ( -3.187 5.969 -3.591) 7.660 17.097 ( -2.297 -3.274 0.795) 4.077 17.097 ( -2.296 3.274 0.795) 4.077 31.534 ( 0.512 -0.398 0.019) 0.649 31.534 ( 0.512 0.398 0.019) 0.649 33.937 ( 3.364 -0.475 -0.165) 3.401 33.937 ( 3.364 0.475 -0.165) 3.401 ======================= Grid point 256 (137/195) ======================= q-point: (-0.36 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 2.668 -4.321 2.984) 5.891 1.058 ( 2.668 4.321 2.984) 5.891 1.375 ( -2.946 -2.660 -3.152) 5.069 1.375 ( -2.946 2.660 -3.152) 5.069 1.809 ( 3.791 -5.408 0.070) 6.605 1.809 ( 3.791 5.408 0.070) 6.605 2.279 ( 0.913 -2.334 -1.053) 2.718 2.279 ( 0.913 2.334 -1.053) 2.718 2.788 ( -4.436 -0.653 -0.745) 4.545 2.788 ( -4.436 0.653 -0.745) 4.545 2.839 ( 0.992 -1.635 1.585) 2.484 2.839 ( 0.992 1.635 1.585) 2.484 3.219 ( -0.552 -2.793 -0.929) 2.995 3.219 ( -0.552 2.793 -0.929) 2.995 3.496 ( -0.593 -3.964 -0.028) 4.008 3.496 ( -0.593 3.964 -0.028) 4.008 3.659 ( 0.590 -1.732 1.887) 2.629 3.659 ( 0.590 1.732 1.887) 2.629 10.112 ( -1.917 -0.247 0.191) 1.943 10.112 ( -1.917 0.247 0.191) 1.943 10.906 ( -3.722 -1.170 -0.705) 3.965 10.906 ( -3.722 1.170 -0.705) 3.965 14.798 ( -9.172 -4.197 -3.008) 10.526 14.798 ( -9.172 4.197 -3.008) 10.526 17.016 ( -6.164 -3.208 0.656) 6.980 17.016 ( -6.164 3.208 0.656) 6.980 31.559 ( 1.937 -0.392 0.173) 1.984 31.559 ( 1.937 0.392 0.173) 1.984 34.047 ( 8.152 -0.304 -0.734) 8.191 34.047 ( 8.152 0.304 -0.734) 8.191 ======================= Grid point 258 (138/195) ======================= q-point: (-0.27 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 3.441 -1.450 6.248) 7.279 1.163 ( 3.441 1.450 6.248) 7.279 1.335 ( 0.400 -3.535 2.721) 4.479 1.335 ( 0.400 3.534 2.721) 4.478 1.912 ( 6.773 -3.944 -1.673) 8.014 1.912 ( 6.773 3.944 -1.673) 8.014 2.256 ( -2.461 -3.290 -2.240) 4.679 2.256 ( -2.461 3.290 -2.240) 4.679 2.669 ( -6.990 -0.732 0.184) 7.030 2.669 ( -6.990 0.732 0.184) 7.030 2.853 ( -0.091 -2.119 -0.785) 2.261 2.853 ( -0.091 2.119 -0.785) 2.261 3.239 ( 3.061 -4.060 0.370) 5.098 3.239 ( 3.061 4.060 0.370) 5.098 3.490 ( -0.024 -4.348 0.100) 4.349 3.490 ( -0.024 4.348 0.100) 4.349 3.682 ( 0.821 -3.107 1.385) 3.499 3.682 ( 0.821 3.107 1.385) 3.499 10.067 ( -2.583 -0.214 -0.132) 2.596 10.067 ( -2.583 0.214 -0.132) 2.596 10.808 ( -5.820 -1.530 -0.803) 6.071 10.808 ( -5.820 1.530 -0.803) 6.071 14.551 ( -14.851 -1.911 -1.908) 15.094 14.551 ( -14.851 1.911 -1.908) 15.094 16.889 ( -6.925 -2.695 0.504) 7.448 16.889 ( -6.925 2.695 0.504) 7.448 31.606 ( 2.755 -0.635 0.260) 2.839 31.606 ( 2.755 0.635 0.260) 2.839 34.228 ( 11.085 -1.879 -1.761) 11.380 34.228 ( 11.085 1.879 -1.761) 11.380 ======================= Grid point 260 (139/195) ======================= q-point: (-0.18 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.668 -7.936 3.627) 8.751 1.215 ( 0.668 7.936 3.627) 8.751 1.448 ( 5.887 -7.816 8.485) 12.951 1.448 ( 5.887 7.816 8.485) 12.951 2.017 ( 4.608 -6.404 -3.081) 8.470 2.017 ( 4.608 6.404 -3.081) 8.470 2.188 ( -2.023 -4.218 -0.831) 4.751 2.188 ( -2.023 4.218 -0.831) 4.751 2.519 ( -8.768 -2.514 -0.041) 9.122 2.519 ( -8.768 2.514 -0.041) 9.122 2.850 ( 1.015 -1.361 -2.541) 3.056 2.850 ( 1.015 1.361 -2.541) 3.056 3.321 ( 3.954 -3.805 1.327) 5.645 3.321 ( 3.954 3.805 1.327) 5.645 3.505 ( 1.766 -3.973 0.718) 4.406 3.505 ( 1.766 3.973 0.718) 4.406 3.707 ( 1.031 -3.849 1.074) 4.127 3.707 ( 1.031 3.849 1.074) 4.127 10.018 ( -2.246 -0.256 -0.411) 2.298 10.018 ( -2.246 0.256 -0.411) 2.298 10.683 ( -6.546 -1.817 -0.565) 6.817 10.683 ( -6.546 1.817 -0.565) 6.817 14.236 ( -16.335 -1.206 -0.122) 16.380 14.236 ( -16.335 1.206 -0.122) 16.380 16.774 ( -5.120 -1.857 0.326) 5.456 16.774 ( -5.120 1.857 0.326) 5.456 31.660 ( 2.570 -0.829 0.163) 2.706 31.660 ( 2.570 0.829 0.163) 2.706 34.430 ( 10.820 -4.143 -3.133) 12.002 34.430 ( 10.820 4.143 -3.133) 12.002 ======================= Grid point 262 (140/195) ======================= q-point: (-0.09 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 2.733 -8.676 4.607) 10.197 1.271 ( 2.733 8.676 4.607) 10.197 1.578 ( 2.286 -3.488 5.078) 6.571 1.578 ( 2.286 3.488 5.078) 6.571 2.035 ( 0.708 -7.996 -2.553) 8.423 2.035 ( 0.708 7.996 -2.553) 8.423 2.206 ( 0.160 -6.609 3.778) 7.614 2.206 ( 0.160 6.609 3.778) 7.614 2.362 ( -4.535 -1.256 -2.208) 5.198 2.362 ( -4.535 1.256 -2.208) 5.198 2.854 ( 0.601 -0.814 -2.772) 2.951 2.854 ( 0.601 0.814 -2.772) 2.951 3.371 ( 0.977 -2.790 -0.277) 2.969 3.371 ( 0.977 2.790 -0.277) 2.969 3.571 ( 3.595 -3.660 2.192) 5.579 3.571 ( 3.595 3.660 2.192) 5.579 3.726 ( 0.076 -3.785 0.839) 3.878 3.726 ( 0.076 3.785 0.839) 3.878 9.983 ( -0.961 -0.815 -0.484) 1.350 9.983 ( -0.961 0.815 -0.484) 1.350 10.570 ( -4.508 -1.518 -0.088) 4.758 10.570 ( -4.508 1.518 -0.088) 4.758 13.978 ( -9.774 -2.557 1.666) 10.240 13.978 ( -9.774 2.557 1.666) 10.240 16.700 ( -2.741 -0.930 0.177) 2.900 16.700 ( -2.741 0.930 0.177) 2.900 31.700 ( 1.440 -1.074 -0.032) 1.797 31.700 ( 1.440 1.074 -0.032) 1.797 34.582 ( 6.722 -5.915 -4.341) 9.951 34.582 ( 6.722 5.915 -4.341) 9.951 ======================= Grid point 297 (141/195) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -8.573 0.000 10.134) 13.274 0.795 ( 3.107 0.000 10.494) 10.945 0.986 ( 4.659 0.000 -6.924) 8.346 0.996 ( -2.513 0.000 -7.866) 8.257 1.382 ( -0.029 0.000 -3.886) 3.886 1.720 ( 0.848 0.000 18.247) 18.266 2.137 ( -0.322 0.000 -5.767) 5.776 2.209 ( 0.559 0.000 0.970) 1.120 2.591 ( -0.579 0.000 -1.674) 1.771 2.657 ( 0.917 0.000 -0.736) 1.175 2.798 ( -0.335 0.000 1.934) 1.963 2.999 ( -0.197 0.000 0.067) 0.208 3.186 ( 0.285 0.000 -0.413) 0.502 3.255 ( -1.774 0.000 -5.014) 5.319 3.504 ( -0.644 0.000 2.697) 2.772 3.585 ( 0.240 0.000 -1.589) 1.607 3.761 ( -2.520 0.000 0.265) 2.534 3.971 ( 2.264 0.000 -0.663) 2.359 9.928 ( 0.094 0.000 -0.154) 0.180 9.989 ( -0.086 0.000 0.144) 0.167 10.561 ( 0.450 0.000 -0.238) 0.509 10.655 ( 1.975 0.000 0.102) 1.978 14.040 ( -11.666 0.000 2.475) 11.926 14.111 ( 20.650 0.000 -1.847) 20.732 16.697 ( -0.585 0.000 -0.117) 0.596 16.815 ( -2.135 0.000 -0.144) 2.140 31.878 ( -0.053 0.000 0.283) 0.288 32.267 ( 1.228 0.000 0.006) 1.228 33.498 ( 0.068 0.000 1.519) 1.520 33.755 ( -0.073 0.000 -1.470) 1.471 ======================= Grid point 298 (142/195) ======================= q-point: ( 0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 14.334 0.000 10.240) 17.616 0.965 ( 5.442 0.000 -7.320) 9.121 0.999 ( 10.062 0.000 7.505) 12.553 1.183 ( 17.688 0.000 -5.032) 18.390 1.365 ( -0.052 0.000 -1.648) 1.649 1.826 ( 1.929 0.000 8.606) 8.820 2.076 ( -2.091 0.000 -4.490) 4.953 2.186 ( -2.766 0.000 -0.622) 2.835 2.560 ( -2.669 0.000 0.380) 2.696 2.637 ( -3.599 0.000 -2.463) 4.361 2.772 ( -0.619 0.000 2.327) 2.408 2.966 ( -3.248 0.000 0.312) 3.263 3.169 ( -1.745 0.000 -0.733) 1.892 3.194 ( -2.751 0.000 0.610) 2.817 3.494 ( -1.997 0.000 2.173) 2.951 3.575 ( -0.505 0.000 -0.903) 1.034 3.753 ( -0.279 0.000 2.913) 2.927 3.953 ( -2.423 0.000 -3.032) 3.881 9.927 ( -0.055 0.000 -0.219) 0.226 9.992 ( 0.336 0.000 0.200) 0.392 10.573 ( 1.994 0.000 -0.907) 2.191 10.738 ( 6.295 0.000 -2.696) 6.848 13.895 ( -0.362 0.000 -1.166) 1.220 14.612 ( 30.206 0.000 -13.351) 33.025 16.684 ( 0.084 0.000 1.290) 1.293 16.846 ( 3.606 0.000 3.023) 4.705 31.838 ( -3.983 0.000 0.110) 3.984 32.229 ( -4.349 0.000 -1.522) 4.608 33.513 ( 0.816 0.000 0.612) 1.020 33.742 ( -0.623 0.000 -0.580) 0.851 ======================= Grid point 299 (143/195) ======================= q-point: ( 0.18 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 7.633 0.000 -5.914) 9.656 1.257 ( 8.977 0.000 1.895) 9.175 1.292 ( 18.717 0.000 6.604) 19.847 1.381 ( 4.187 0.000 4.302) 6.003 1.523 ( 18.448 0.000 -5.260) 19.183 1.850 ( 1.980 0.000 -12.477) 12.633 2.088 ( 3.586 0.000 6.041) 7.026 2.113 ( -3.363 0.000 -2.198) 4.018 2.438 ( -6.250 0.000 0.149) 6.252 2.613 ( 1.048 0.000 2.976) 3.155 2.822 ( 2.956 0.000 2.771) 4.052 2.885 ( -5.248 0.000 0.366) 5.261 3.112 ( -3.539 0.000 -1.073) 3.698 3.148 ( -2.467 0.000 1.173) 2.731 3.450 ( -3.607 0.000 1.076) 3.764 3.558 ( -1.121 0.000 0.223) 1.143 3.735 ( -3.643 0.000 0.277) 3.654 3.882 ( -3.011 0.000 -0.066) 3.012 9.925 ( -0.021 0.000 -0.142) 0.143 10.002 ( 0.474 0.000 0.120) 0.489 10.633 ( 4.681 0.000 -1.154) 4.822 10.844 ( 6.052 0.000 -2.366) 6.498 14.019 ( 12.377 0.000 1.136) 12.429 15.023 ( 21.099 0.000 -17.463) 27.388 16.740 ( 5.046 0.000 1.152) 5.176 16.966 ( 6.217 0.000 5.259) 8.143 31.742 ( -5.536 0.000 -0.222) 5.541 32.102 ( -7.269 0.000 -2.186) 7.591 33.536 ( 1.486 0.000 -0.489) 1.564 33.725 ( -1.153 0.000 0.503) 1.258 ======================= Grid point 300 (144/195) ======================= q-point: ( 0.27 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 4.313 0.000 -1.309) 4.508 1.296 ( 0.255 0.000 -1.292) 1.316 1.527 ( 2.034 0.000 -8.802) 9.034 1.621 ( 12.333 0.000 5.858) 13.654 1.728 ( 7.925 0.000 -1.921) 8.154 1.900 ( 6.489 0.000 -5.454) 8.477 2.060 ( 0.171 0.000 -3.302) 3.306 2.183 ( 9.098 0.000 -5.974) 10.884 2.505 ( 9.245 0.000 9.695) 13.396 2.676 ( 3.364 0.000 4.425) 5.558 2.781 ( -5.386 0.000 0.193) 5.390 2.899 ( 3.405 0.000 2.231) 4.071 3.025 ( -4.719 0.000 -1.351) 4.909 3.121 ( -0.762 0.000 0.106) 0.769 3.368 ( -5.207 0.000 0.003) 5.207 3.536 ( -1.483 0.000 1.042) 1.812 3.626 ( -5.638 0.000 -3.213) 6.489 3.837 ( -3.598 0.000 4.346) 5.642 9.926 ( 0.171 0.000 0.058) 0.180 10.010 ( 0.304 0.000 -0.075) 0.313 10.727 ( 5.349 0.000 -0.701) 5.394 10.938 ( 4.782 0.000 -0.940) 4.873 14.318 ( 15.103 0.000 5.447) 16.055 15.225 ( 10.624 0.000 -15.405) 18.714 16.870 ( 7.430 0.000 0.219) 7.433 17.134 ( 7.646 0.000 5.642) 9.502 31.641 ( -4.523 0.000 -0.211) 4.528 31.943 ( -7.594 0.000 -2.352) 7.950 33.562 ( 1.899 0.000 -1.650) 2.516 33.705 ( -1.535 0.000 1.647) 2.252 ======================= Grid point 301 (145/195) ======================= q-point: ( 0.36 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -1.618 0.000 3.527) 3.881 1.318 ( 2.390 0.000 -1.978) 3.103 1.429 ( -1.490 0.000 -14.754) 14.829 1.673 ( -8.902 0.000 -4.534) 9.990 1.838 ( 7.035 0.000 1.899) 7.286 2.087 ( 12.505 0.000 2.677) 12.788 2.103 ( 5.776 0.000 -1.366) 5.936 2.399 ( 12.114 0.000 -1.513) 12.208 2.694 ( -3.376 0.000 -0.243) 3.384 2.713 ( 5.867 0.000 5.847) 8.283 2.798 ( 5.919 0.000 2.132) 6.291 2.925 ( -4.564 0.000 -1.611) 4.840 2.962 ( 1.765 0.000 0.610) 1.868 3.115 ( 0.245 0.000 -1.064) 1.092 3.258 ( -5.790 0.000 -0.620) 5.823 3.515 ( -1.383 0.000 1.387) 1.959 3.528 ( -1.890 0.000 -1.972) 2.731 3.783 ( -4.765 0.000 4.950) 6.871 9.932 ( 0.353 0.000 0.250) 0.432 10.012 ( 0.001 0.000 -0.258) 0.258 10.816 ( 3.937 0.000 -0.325) 3.950 11.018 ( 3.650 0.000 0.285) 3.661 14.610 ( 10.815 0.000 7.397) 13.102 15.280 ( 4.002 0.000 -12.348) 12.980 17.004 ( 5.884 0.000 0.371) 5.896 17.301 ( 6.468 0.000 3.742) 7.472 31.577 ( -2.077 0.000 0.321) 2.101 31.795 ( -6.330 0.000 -2.127) 6.678 33.585 ( 1.510 0.000 -2.353) 2.796 33.688 ( -1.237 0.000 2.346) 2.652 ======================= Grid point 302 (146/195) ======================= q-point: ( 0.45 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.057 0.000 3.833) 3.834 1.337 ( 0.644 0.000 -1.858) 1.966 1.348 ( -0.292 0.000 -9.662) 9.666 1.467 ( -7.701 0.000 -3.923) 8.642 1.913 ( 0.863 0.000 -0.103) 0.869 2.220 ( 4.668 0.000 0.821) 4.740 2.324 ( 9.046 0.000 4.298) 10.015 2.547 ( 2.913 0.000 -1.971) 3.517 2.654 ( -0.537 0.000 -0.953) 1.094 2.819 ( 1.402 0.000 4.697) 4.901 2.848 ( -1.913 0.000 -1.832) 2.649 2.870 ( 2.411 0.000 1.565) 2.875 2.960 ( -0.779 0.000 -2.910) 3.013 3.100 ( -1.606 0.000 -1.178) 1.991 3.160 ( -3.422 0.000 -0.358) 3.440 3.502 ( -0.724 0.000 1.393) 1.569 3.544 ( 2.608 0.000 -0.319) 2.627 3.730 ( -2.019 0.000 3.004) 3.619 9.940 ( 0.329 0.000 0.242) 0.408 10.008 ( -0.197 0.000 -0.246) 0.315 10.869 ( 1.816 0.000 -0.496) 1.882 11.073 ( 1.495 0.000 0.729) 1.664 14.804 ( 5.062 0.000 6.933) 8.584 15.251 ( -0.214 0.000 -9.684) 9.686 17.086 ( 2.057 0.000 0.729) 2.182 17.412 ( 3.433 0.000 1.070) 3.596 31.567 ( 0.505 0.000 0.876) 1.011 31.684 ( -3.926 0.000 -1.514) 4.208 33.587 ( -0.269 0.000 -1.123) 1.154 33.690 ( 0.355 0.000 1.131) 1.185 ======================= Grid point 303 (147/195) ======================= q-point: (-0.45 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 2.144 0.000 1.021) 2.374 1.224 ( -7.800 0.000 1.385) 7.922 1.328 ( -0.428 0.000 -1.775) 1.826 1.451 ( 6.113 0.000 -2.629) 6.654 1.888 ( -3.555 0.000 2.111) 4.134 2.239 ( -3.211 0.000 -0.785) 3.305 2.393 ( -6.686 0.000 -1.912) 6.954 2.502 ( -3.627 0.000 1.561) 3.948 2.657 ( 1.586 0.000 -1.319) 2.063 2.846 ( 2.723 0.000 -1.607) 3.162 2.870 ( 2.061 0.000 5.364) 5.746 2.894 ( -1.588 0.000 -0.632) 1.709 2.923 ( -1.222 0.000 -4.225) 4.398 3.067 ( -0.776 0.000 1.630) 1.805 3.147 ( 2.062 0.000 0.839) 2.227 3.505 ( 0.243 0.000 1.144) 1.169 3.538 ( -2.769 0.000 0.263) 2.781 3.783 ( 6.099 0.000 -1.790) 6.357 9.944 ( -0.014 0.000 -0.101) 0.102 10.004 ( -0.114 0.000 0.095) 0.148 10.877 ( -0.492 0.000 -1.282) 1.373 11.075 ( -1.724 0.000 0.571) 1.816 14.878 ( -0.683 0.000 3.060) 3.136 15.168 ( -3.736 0.000 -5.039) 6.273 17.086 ( -2.510 0.000 0.729) 2.613 17.443 ( 0.114 0.000 -1.783) 1.787 31.584 ( 0.189 0.000 -0.638) 0.665 31.652 ( 1.584 0.000 1.369) 2.093 33.567 ( -1.590 0.000 0.762) 1.763 33.710 ( 1.458 0.000 -0.725) 1.628 ======================= Grid point 304 (148/195) ======================= q-point: (-0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -3.913 0.000 10.986) 11.662 1.259 ( 1.424 0.000 -3.721) 3.985 1.285 ( -3.144 0.000 0.867) 3.261 1.596 ( 8.297 0.000 2.081) 8.554 1.828 ( -3.771 0.000 2.922) 4.771 2.108 ( -8.300 0.000 -1.858) 8.505 2.140 ( -15.664 0.000 -2.321) 15.835 2.359 ( -13.583 0.000 2.221) 13.763 2.704 ( 4.085 0.000 -1.225) 4.265 2.832 ( -3.443 0.000 -1.534) 3.769 2.846 ( -3.593 0.000 -5.734) 6.767 2.919 ( 5.179 0.000 -1.045) 5.283 2.943 ( 1.371 0.000 2.402) 2.766 3.077 ( 0.297 0.000 2.450) 2.468 3.231 ( 5.235 0.000 1.819) 5.542 3.502 ( -0.065 0.000 0.398) 0.403 3.523 ( 1.003 0.000 0.673) 1.208 3.888 ( 6.148 0.000 -4.610) 7.685 9.939 ( -0.315 0.000 -0.411) 0.518 10.004 ( -0.038 0.000 0.403) 0.404 10.833 ( -3.164 0.000 -2.054) 3.772 11.018 ( -4.289 0.000 0.422) 4.310 14.790 ( -7.734 0.000 -7.001) 10.432 15.062 ( -7.419 0.000 5.353) 9.148 17.004 ( -6.019 0.000 0.396) 6.032 17.396 ( -2.965 0.000 -4.954) 5.773 31.587 ( 1.365 0.000 -0.763) 1.564 31.737 ( 5.109 0.000 3.250) 6.055 33.540 ( -1.955 0.000 1.859) 2.698 33.733 ( 1.648 0.000 -1.794) 2.436 ======================= Grid point 305 (149/195) ======================= q-point: (-0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -10.213 0.000 0.987) 10.261 1.195 ( -0.054 0.000 18.263) 18.263 1.302 ( 1.343 0.000 -1.533) 2.038 1.734 ( -7.599 0.000 -4.335) 8.748 1.744 ( 2.066 0.000 2.348) 3.128 1.801 ( -18.751 0.000 1.225) 18.791 1.992 ( -1.494 0.000 2.612) 3.009 2.069 ( -14.725 0.000 4.565) 15.417 2.706 ( -5.996 0.000 -8.667) 10.539 2.754 ( -3.308 0.000 -3.108) 4.539 2.794 ( 5.615 0.000 -0.979) 5.700 2.933 ( -2.071 0.000 -0.876) 2.248 3.016 ( 5.187 0.000 -0.528) 5.213 3.114 ( 2.379 0.000 0.859) 2.529 3.344 ( 4.949 0.000 2.169) 5.404 3.547 ( 1.278 0.000 0.029) 1.278 3.556 ( 4.418 0.000 3.097) 5.395 3.953 ( 3.627 0.000 -6.107) 7.103 9.931 ( -0.269 0.000 -0.394) 0.477 10.005 ( -0.206 0.000 0.387) 0.439 10.736 ( -5.505 0.000 -1.867) 5.813 10.925 ( -5.560 0.000 0.537) 5.586 14.506 ( -15.499 0.000 -12.505) 19.915 14.925 ( -12.871 0.000 12.357) 17.842 16.878 ( -6.713 0.000 -0.260) 6.718 17.275 ( -5.795 0.000 -7.634) 9.584 31.636 ( 3.895 0.000 0.212) 3.901 31.871 ( 6.453 0.000 4.356) 7.786 33.516 ( -1.796 0.000 2.367) 2.971 33.751 ( 1.412 0.000 -2.286) 2.687 ======================= Grid point 306 (150/195) ======================= q-point: (-0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -11.904 0.000 5.522) 13.122 1.281 ( -3.543 0.000 -1.495) 3.845 1.289 ( -4.068 0.000 14.385) 14.950 1.419 ( -20.841 0.000 1.254) 20.878 1.532 ( -7.046 0.000 -8.590) 11.110 1.576 ( -13.806 0.000 7.573) 15.747 2.053 ( 4.308 0.000 3.461) 5.526 2.055 ( 4.228 0.000 7.160) 8.315 2.569 ( -1.217 0.000 -9.539) 9.616 2.676 ( -3.034 0.000 -2.442) 3.894 2.880 ( -2.174 0.000 -3.005) 3.709 2.895 ( 5.168 0.000 -0.633) 5.207 3.103 ( 4.017 0.000 -0.245) 4.025 3.178 ( 4.601 0.000 -1.117) 4.735 3.435 ( 3.060 0.000 2.343) 3.854 3.569 ( 1.203 0.000 -0.746) 1.416 3.688 ( 6.686 0.000 4.309) 7.954 3.950 ( -0.355 0.000 -5.903) 5.913 9.926 ( -0.042 0.000 -0.234) 0.238 10.001 ( -0.406 0.000 0.231) 0.468 10.619 ( -5.450 0.000 -0.253) 5.456 10.812 ( -6.628 0.000 0.859) 6.683 14.105 ( -17.775 0.000 -8.116) 19.541 14.696 ( -19.008 0.000 13.764) 23.468 16.764 ( -4.369 0.000 -0.948) 4.471 17.100 ( -7.461 0.000 -7.671) 10.701 31.733 ( 5.581 0.000 0.696) 5.624 32.029 ( 7.080 0.000 4.834) 8.573 33.499 ( -1.326 0.000 2.443) 2.779 33.760 ( 0.982 0.000 -2.364) 2.560 ======================= Grid point 307 (151/195) ======================= q-point: (-0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -7.157 0.000 9.559) 11.941 1.032 ( -20.607 0.000 4.741) 21.146 1.097 ( -11.392 0.000 -3.916) 12.046 1.140 ( -7.629 0.000 -5.042) 9.144 1.418 ( -1.057 0.000 -6.514) 6.599 1.588 ( 0.663 0.000 20.830) 20.840 2.142 ( 1.914 0.000 -0.084) 1.916 2.155 ( 3.826 0.000 2.385) 4.508 2.587 ( 5.520 0.000 -3.565) 6.571 2.620 ( -1.113 0.000 -0.887) 1.423 2.817 ( -2.360 0.000 -2.457) 3.407 2.973 ( 2.946 0.000 -0.277) 2.959 3.163 ( 2.287 0.000 -0.222) 2.298 3.261 ( 4.474 0.000 -4.665) 6.464 3.487 ( 0.931 0.000 2.620) 2.780 3.583 ( 0.888 0.000 -1.455) 1.705 3.820 ( 2.203 0.000 -2.599) 3.407 3.899 ( 0.405 0.000 1.503) 1.556 9.926 ( 0.137 0.000 -0.122) 0.184 9.993 ( -0.405 0.000 0.119) 0.423 10.552 ( -1.326 0.000 1.177) 1.773 10.695 ( -5.591 0.000 1.434) 5.772 13.870 ( -1.195 0.000 0.915) 1.505 14.371 ( -21.274 0.000 10.096) 23.549 16.707 ( -1.058 0.000 -0.914) 1.398 16.923 ( -6.784 0.000 -4.501) 8.141 31.835 ( 4.143 0.000 0.402) 4.162 32.183 ( 6.054 0.000 3.001) 6.757 33.493 ( -0.672 0.000 2.147) 2.250 33.761 ( 0.469 0.000 -2.082) 2.134 ======================= Grid point 308 (152/195) ======================= q-point: ( 0.00 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 1.594 6.952 6.969) 9.972 0.929 ( -9.928 10.728 9.140) 17.239 1.079 ( 6.499 7.972 -5.879) 11.847 1.162 ( -1.104 13.868 -5.719) 15.042 1.417 ( -0.424 3.360 -3.820) 5.105 1.798 ( 1.418 6.883 15.261) 16.801 2.163 ( 0.826 1.642 -1.393) 2.306 2.217 ( -0.245 1.906 -1.076) 2.203 2.575 ( -0.668 -2.192 -0.479) 2.341 2.595 ( 0.868 -3.642 -1.811) 4.159 2.710 ( -1.785 -6.941 0.525) 7.186 3.035 ( -0.250 -8.335 -1.225) 8.428 3.060 ( 0.156 4.638 0.139) 4.642 3.342 ( 0.854 2.916 -2.254) 3.783 3.578 ( 0.219 4.826 4.019) 6.284 3.636 ( 0.457 3.002 -1.261) 3.288 3.786 ( -4.117 2.384 -1.034) 4.868 3.963 ( 1.553 -0.675 -2.001) 2.621 9.929 ( 0.108 0.166 -0.137) 0.241 9.997 ( -0.087 0.579 -0.020) 0.586 10.558 ( 0.506 -0.310 -0.220) 0.633 10.630 ( 1.549 -2.101 0.251) 2.622 14.019 ( -8.241 -1.841 1.886) 8.652 14.082 ( 15.664 -2.368 -0.669) 15.856 16.695 ( -0.585 -0.199 -0.109) 0.628 16.780 ( -1.654 -2.859 0.267) 3.314 31.854 ( -0.015 -2.101 0.190) 2.109 32.060 ( 0.640 -14.067 1.279) 14.139 33.804 ( 0.244 22.103 -2.427) 22.237 33.889 ( -0.030 11.993 -1.072) 12.041 ======================= Grid point 309 (153/195) ======================= q-point: ( 0.09 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 5.847 3.940 10.539) 12.680 0.981 ( 8.270 3.633 -3.718) 9.768 1.175 ( 6.145 12.208 3.293) 14.058 1.295 ( 15.175 9.067 -3.907) 18.104 1.402 ( 0.807 3.718 -1.379) 4.047 1.903 ( 3.138 6.589 5.182) 8.951 2.127 ( -2.403 4.815 -3.463) 6.399 2.177 ( -3.080 -0.563 -0.132) 3.134 2.549 ( -3.772 -2.293 -1.225) 4.581 2.581 ( -0.245 -2.021 -0.088) 2.037 2.682 ( -0.994 -6.931 3.279) 7.731 3.026 ( -0.065 -7.004 -0.043) 7.004 3.042 ( -2.077 4.533 -0.345) 4.998 3.295 ( -3.960 4.007 -2.037) 5.991 3.578 ( -2.407 5.162 2.099) 6.070 3.608 ( -1.431 2.643 -1.466) 3.344 3.766 ( -0.534 1.513 4.828) 5.088 3.927 ( -3.211 -2.436 -2.872) 4.949 9.931 ( 0.204 0.389 -0.245) 0.503 9.997 ( 0.127 0.339 0.143) 0.390 10.570 ( 2.116 -0.286 -0.908) 2.320 10.716 ( 6.434 -1.969 -2.137) 7.060 13.902 ( 0.610 0.710 -1.136) 1.472 14.538 ( 28.151 -6.524 -10.767) 30.837 16.683 ( 0.212 -0.069 1.213) 1.233 16.816 ( 3.595 -2.577 2.523) 5.092 31.817 ( -3.598 -1.811 0.032) 4.029 32.047 ( -2.262 -12.907 -0.341) 13.108 33.775 ( -1.909 19.842 -1.165) 19.967 33.868 ( -1.663 10.972 -0.339) 11.102 ======================= Grid point 310 (154/195) ======================= q-point: ( 0.18 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 7.335 2.776 -6.905) 10.449 1.187 ( 13.832 -2.292 6.939) 15.644 1.341 ( 4.388 3.656 1.726) 5.966 1.445 ( 6.852 4.535 6.190) 10.288 1.599 ( 15.294 6.190 -5.020) 17.246 1.919 ( 0.726 5.530 -11.690) 12.952 2.091 ( -1.841 -0.922 -1.994) 2.867 2.154 ( 2.534 5.190 3.721) 6.870 2.432 ( -3.881 -0.434 0.078) 3.906 2.610 ( 1.378 0.249 3.476) 3.747 2.712 ( 1.026 -6.111 3.983) 7.366 2.984 ( -3.037 4.103 -0.849) 5.175 3.035 ( 0.620 -4.769 0.878) 4.888 3.192 ( -5.324 3.656 -1.300) 6.587 3.521 ( -3.863 4.591 -0.002) 6.000 3.577 ( -1.808 1.180 0.285) 2.177 3.739 ( -5.287 0.505 1.211) 5.448 3.855 ( -2.386 -2.281 0.955) 3.436 9.935 ( 0.359 0.941 -0.159) 1.020 10.004 ( 0.540 0.233 0.119) 0.600 10.633 ( 4.837 0.038 -1.104) 4.962 10.828 ( 6.198 -1.521 -1.990) 6.685 14.036 ( 12.487 1.587 0.855) 12.616 14.944 ( 21.054 -7.123 -15.329) 27.000 16.738 ( 4.786 -0.191 1.082) 4.911 16.930 ( 6.190 -3.063 4.435) 8.208 31.730 ( -5.065 -1.109 -0.243) 5.191 31.975 ( -4.584 -9.627 -1.275) 10.739 33.729 ( -2.200 15.418 -0.584) 15.585 33.826 ( -2.638 8.841 0.400) 9.235 ======================= Grid point 311 (155/195) ======================= q-point: ( 0.27 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 4.024 1.497 -3.055) 5.269 1.319 ( 0.313 2.696 -1.014) 2.897 1.528 ( 7.030 -0.939 -1.937) 7.353 1.584 ( 7.774 -1.302 0.828) 7.926 1.742 ( 3.617 0.739 -2.910) 4.701 1.922 ( 2.362 1.201 -4.957) 5.620 2.056 ( 0.781 0.068 -1.651) 1.828 2.220 ( 8.220 3.095 -5.095) 10.154 2.532 ( 9.024 2.289 7.108) 11.713 2.672 ( 3.240 -0.218 4.092) 5.224 2.737 ( -1.070 -3.131 2.381) 4.077 2.945 ( -0.014 3.353 -0.661) 3.417 3.055 ( 0.896 -3.570 0.705) 3.748 3.088 ( -4.541 4.080 -0.720) 6.147 3.428 ( -5.776 4.473 -0.480) 7.321 3.537 ( -2.554 -0.416 -0.078) 2.588 3.626 ( -4.715 0.109 -1.658) 4.999 3.824 ( -3.259 -1.282 4.370) 5.600 9.944 ( 0.548 1.629 0.070) 1.720 10.016 ( 0.588 0.601 0.004) 0.841 10.730 ( 5.439 0.260 -0.686) 5.488 10.926 ( 4.899 -1.182 -0.838) 5.109 14.330 ( 14.947 1.197 4.691) 15.711 15.164 ( 11.308 -5.655 -14.289) 19.079 16.862 ( 7.129 -0.715 0.271) 7.170 17.095 ( 7.856 -3.394 4.866) 9.845 31.636 ( -4.263 -0.475 -0.207) 4.294 31.867 ( -5.586 -6.195 -1.663) 8.506 33.690 ( -1.314 10.621 -1.151) 10.763 33.777 ( -2.821 6.401 1.335) 7.121 ======================= Grid point 312 (156/195) ======================= q-point: ( 0.36 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -0.465 0.732 0.858) 1.220 1.320 ( 0.652 1.624 -1.516) 2.315 1.447 ( -2.203 1.414 -13.054) 13.314 1.662 ( -8.661 -1.000 -4.237) 9.693 1.810 ( 6.474 -2.307 0.948) 6.938 1.970 ( 7.409 -7.422 -0.699) 10.510 2.151 ( 7.710 1.071 2.369) 8.137 2.406 ( 9.444 0.618 0.332) 9.470 2.691 ( 0.195 -0.755 0.933) 1.216 2.719 ( 2.922 -0.100 3.226) 4.354 2.775 ( 4.013 -0.436 1.527) 4.316 2.955 ( 0.247 1.628 -0.253) 1.666 3.033 ( -0.824 6.747 -0.739) 6.837 3.074 ( 1.001 -2.875 -0.350) 3.065 3.308 ( -5.668 3.823 -0.848) 6.890 3.484 ( -1.876 -1.043 -1.021) 2.377 3.572 ( -0.611 2.150 0.619) 2.319 3.775 ( -4.349 -0.802 4.446) 6.271 9.956 ( 0.629 2.225 0.267) 2.327 10.024 ( 0.265 1.161 -0.136) 1.199 10.820 ( 4.025 0.410 -0.335) 4.060 11.006 ( 3.660 -1.072 0.212) 3.819 14.614 ( 10.668 0.475 6.548) 12.526 15.235 ( 4.542 -4.131 -11.758) 13.265 16.992 ( 5.817 -0.991 0.363) 5.911 17.264 ( 6.753 -3.320 3.298) 8.216 31.574 ( -2.095 -0.287 0.256) 2.130 31.752 ( -5.137 -3.658 -1.667) 6.523 33.664 ( -0.626 6.770 -1.754) 7.022 33.739 ( -1.951 4.539 1.929) 5.304 ======================= Grid point 313 (157/195) ======================= q-point: ( 0.45 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 1.257 0.824 2.926) 3.290 1.309 ( 0.199 0.205 -3.855) 3.865 1.350 ( -3.277 -0.481 -6.861) 7.618 1.465 ( -6.604 -0.230 -3.843) 7.644 1.843 ( -0.457 -6.483 -2.201) 6.862 2.146 ( 6.920 -5.798 2.903) 9.483 2.303 ( 5.630 -2.224 2.727) 6.639 2.518 ( 1.040 -2.254 -1.745) 3.035 2.654 ( -0.344 -0.325 0.497) 0.686 2.799 ( 1.621 -0.572 2.639) 3.150 2.863 ( 3.944 1.032 1.593) 4.377 2.945 ( -0.161 2.872 -0.702) 2.961 2.996 ( -2.244 5.903 -2.423) 6.764 3.075 ( -1.202 -2.093 -0.939) 2.590 3.222 ( -2.725 5.153 -0.213) 5.833 3.468 ( 0.099 -1.057 -0.239) 1.089 3.601 ( 2.144 2.985 0.856) 3.773 3.723 ( -2.288 -0.631 2.801) 3.672 9.969 ( 0.441 2.579 0.254) 2.628 10.025 ( -0.088 1.556 -0.152) 1.566 10.874 ( 1.814 0.499 -0.476) 1.941 11.060 ( 1.470 -1.160 0.617) 1.971 14.801 ( 4.896 -0.231 6.242) 7.936 15.217 ( 0.037 -3.166 -9.264) 9.790 17.074 ( 2.106 -1.000 0.631) 2.415 17.376 ( 3.391 -3.226 1.040) 4.795 31.560 ( 0.286 -0.558 0.724) 0.958 31.660 ( -3.299 -2.099 -1.235) 4.101 33.642 ( -0.797 4.875 -0.808) 5.005 33.729 ( -0.010 3.456 0.878) 3.566 ======================= Grid point 314 (158/195) ======================= q-point: (-0.45 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -7.240 -3.123 1.470) 8.021 1.273 ( 1.176 4.644 1.402) 4.991 1.315 ( 1.465 -0.776 -2.633) 3.111 1.435 ( 4.337 -1.474 -1.244) 4.747 1.800 ( -3.190 -7.674 1.578) 8.460 2.190 ( -3.676 -4.443 -0.894) 5.835 2.352 ( -3.851 -3.011 -1.171) 5.027 2.478 ( -0.410 -2.712 0.220) 2.752 2.680 ( 0.773 2.072 -0.678) 2.313 2.835 ( 0.243 -1.063 -0.212) 1.111 2.880 ( 0.182 -0.000 1.413) 1.425 2.931 ( -3.494 3.286 -1.682) 5.083 2.982 ( 2.585 6.100 -0.648) 6.657 3.044 ( -0.762 -2.091 1.541) 2.707 3.208 ( 0.991 5.096 1.166) 5.321 3.469 ( 0.107 -0.947 -0.409) 1.037 3.596 ( -2.410 3.068 1.240) 4.094 3.769 ( 5.454 -1.266 -1.316) 5.751 9.973 ( -0.116 2.591 -0.106) 2.596 10.022 ( -0.175 1.626 0.121) 1.639 10.881 ( -0.643 0.407 -1.158) 1.385 11.062 ( -1.687 -1.203 0.501) 2.132 14.868 ( -0.871 -0.841 2.765) 3.019 15.138 ( -3.790 -2.781 -4.793) 6.714 17.074 ( -2.447 -0.966 0.601) 2.699 17.402 ( -0.520 -3.663 -1.352) 3.939 31.574 ( 0.280 -0.843 -0.498) 1.019 31.634 ( 1.369 -1.596 1.121) 2.383 33.628 ( -0.503 5.382 0.522) 5.431 33.745 ( 1.529 3.143 -0.624) 3.550 ======================= Grid point 315 (159/195) ======================= q-point: (-0.36 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -3.026 -2.084 8.532) 9.289 1.267 ( -5.252 -1.161 2.177) 5.803 1.321 ( 2.501 4.823 -1.113) 5.545 1.583 ( 8.793 -1.034 2.883) 9.311 1.766 ( -1.671 -5.043 3.725) 6.488 2.020 ( -11.061 -5.909 -4.109) 13.197 2.194 ( -9.800 2.623 -1.724) 10.290 2.405 ( -10.302 3.056 0.751) 10.772 2.695 ( 2.367 -1.519 -0.678) 2.893 2.812 ( -0.924 -0.506 -2.432) 2.650 2.823 ( -4.111 -0.551 -4.594) 6.189 2.933 ( 0.961 0.152 2.137) 2.348 3.025 ( 2.142 6.051 -0.100) 6.419 3.051 ( 0.184 -1.258 1.653) 2.085 3.272 ( 4.613 3.156 2.457) 6.106 3.472 ( 0.843 -0.543 -0.352) 1.063 3.574 ( -0.045 2.664 0.701) 2.756 3.864 ( 5.471 -2.190 -3.586) 6.899 9.964 ( -0.581 2.250 -0.421) 2.362 10.019 ( -0.280 1.345 0.335) 1.414 10.835 ( -3.383 0.180 -1.789) 3.831 11.006 ( -4.212 -1.116 0.378) 4.374 14.777 ( -7.934 -1.134 -6.506) 10.323 15.028 ( -7.709 -3.072 5.157) 9.771 16.993 ( -5.915 -0.910 0.303) 5.992 17.343 ( -4.081 -4.709 -3.864) 7.332 31.582 ( 1.482 -0.481 -0.596) 1.669 31.706 ( 4.275 -2.682 2.612) 5.683 33.633 ( 0.650 8.048 1.105) 8.150 33.776 ( 2.315 3.892 -1.535) 4.782 ======================= Grid point 316 (160/195) ======================= q-point: (-0.27 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -7.792 -1.692 4.167) 8.997 1.204 ( -1.167 0.872 15.062) 15.132 1.356 ( 0.503 4.397 0.797) 4.496 1.706 ( -8.711 -1.114 -5.772) 10.509 1.738 ( 1.613 -1.348 0.696) 2.215 1.811 ( -5.570 -0.379 4.093) 6.922 2.021 ( -4.980 3.779 2.278) 6.653 2.147 ( -14.261 5.978 1.493) 15.535 2.685 ( -5.923 -1.749 -6.959) 9.304 2.724 ( -1.471 -2.138 -0.806) 2.717 2.797 ( 1.925 -0.587 -3.620) 4.142 2.936 ( -0.192 1.467 0.255) 1.502 3.064 ( 0.558 -3.432 0.203) 3.483 3.088 ( 4.598 5.113 -0.683) 6.910 3.394 ( 5.575 3.790 2.791) 7.296 3.512 ( 2.925 -1.474 1.506) 3.605 3.602 ( 2.641 2.199 0.929) 3.560 3.928 ( 3.707 -2.263 -5.011) 6.631 9.949 ( -0.611 1.698 -0.439) 1.857 10.013 ( -0.546 0.760 0.290) 0.980 10.736 ( -5.621 0.045 -1.537) 5.828 10.914 ( -5.549 -1.066 0.465) 5.670 14.496 ( -15.516 -0.857 -11.182) 19.144 14.884 ( -13.082 -3.795 11.657) 17.928 16.869 ( -6.536 -0.712 -0.247) 6.579 17.209 ( -6.768 -5.639 -5.724) 10.506 31.631 ( 3.709 -0.471 0.223) 3.746 31.813 ( 4.876 -4.711 3.301) 7.541 33.668 ( 2.382 12.606 0.718) 12.849 33.814 ( 2.549 5.622 -1.865) 6.448 ======================= Grid point 317 (161/195) ======================= q-point: (-0.18 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -10.602 1.152 7.278) 12.911 1.275 ( -3.458 0.977 0.000) 3.594 1.318 ( -5.052 2.534 10.172) 11.636 1.486 ( -11.319 5.066 -1.559) 12.499 1.570 ( -7.653 5.603 -3.106) 9.980 1.715 ( -10.758 8.988 3.709) 14.501 2.038 ( 2.231 0.049 3.042) 3.773 2.085 ( 4.601 2.194 7.442) 9.021 2.542 ( -2.712 -2.448 -7.531) 8.370 2.672 ( -2.518 0.078 -1.990) 3.210 2.797 ( -0.146 -4.235 -4.326) 6.056 2.972 ( 3.417 3.635 0.282) 4.997 3.060 ( -0.419 -5.012 -1.075) 5.143 3.189 ( 5.968 3.196 -0.883) 6.828 3.489 ( 2.734 3.756 2.569) 5.308 3.576 ( 2.424 -0.254 0.756) 2.552 3.710 ( 7.513 1.547 2.945) 8.217 3.943 ( 0.894 -0.659 -5.856) 5.960 9.937 ( -0.410 1.019 -0.339) 1.149 10.003 ( -0.522 0.265 0.200) 0.619 10.619 ( -5.496 0.054 -0.121) 5.498 10.800 ( -6.627 -1.118 0.732) 6.761 14.107 ( -17.264 0.357 -6.918) 18.602 14.649 ( -18.697 -4.243 12.671) 22.981 16.759 ( -4.230 -0.406 -0.820) 4.328 17.034 ( -7.625 -5.417 -5.432) 10.816 31.720 ( 5.065 -1.107 0.671) 5.228 31.922 ( 4.292 -7.883 3.636) 9.684 33.729 ( 3.771 17.999 -0.826) 18.408 33.850 ( 2.338 8.034 -1.720) 8.542 ======================= Grid point 318 (162/195) ======================= q-point: (-0.09 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -6.048 4.300 9.680) 12.197 1.108 ( -5.217 3.804 -7.513) 9.906 1.184 ( -18.378 12.018 5.818) 22.716 1.267 ( -5.261 8.893 -2.317) 10.589 1.470 ( -2.330 4.777 -7.319) 9.045 1.680 ( 0.090 8.067 17.657) 19.412 2.118 ( 3.336 -1.157 1.787) 3.957 2.193 ( 2.605 2.905 2.296) 4.528 2.536 ( 4.103 -4.530 -1.780) 6.366 2.615 ( -1.840 0.158 -2.483) 3.095 2.754 ( -1.611 -4.609 -3.864) 6.227 3.033 ( 2.034 4.225 0.302) 4.699 3.047 ( 0.149 -8.074 -1.279) 8.176 3.291 ( 5.035 2.651 -1.612) 5.914 3.541 ( 1.218 3.497 3.334) 4.983 3.616 ( 1.739 1.154 -0.331) 2.113 3.872 ( 3.688 -1.937 2.569) 4.894 3.895 ( 0.532 5.193 -6.883) 8.639 9.930 ( -0.143 0.386 -0.170) 0.445 9.998 ( -0.099 0.366 0.021) 0.380 10.549 ( -1.576 -0.222 1.102) 1.936 10.681 ( -5.786 -1.268 1.162) 6.037 13.877 ( -2.064 0.740 0.898) 2.369 14.331 ( -20.130 -3.542 9.031) 22.346 16.705 ( -1.046 -0.244 -0.811) 1.346 16.873 ( -6.309 -4.098 -2.933) 8.074 31.814 ( 3.804 -1.873 0.384) 4.258 32.012 ( 2.908 -11.800 3.018) 12.522 33.787 ( 2.977 21.605 -2.546) 21.957 33.880 ( 1.598 10.738 -1.445) 10.952 ======================= Grid point 319 (163/195) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 3.554 12.898 5.017) 14.288 1.187 ( -11.986 12.751 5.729) 18.414 1.280 ( 5.623 10.369 -3.784) 12.388 1.419 ( 0.228 6.794 -3.292) 7.553 1.560 ( -0.509 11.782 -3.742) 12.372 1.959 ( 1.880 6.521 7.534) 10.140 2.200 ( 1.760 3.590 4.228) 5.819 2.319 ( 0.408 6.685 -0.471) 6.714 2.476 ( 1.507 -7.002 1.438) 7.305 2.525 ( -2.419 -5.003 0.123) 5.559 2.598 ( -2.421 -1.151 -4.340) 5.101 2.884 ( 0.347 -5.527 -1.696) 5.792 3.166 ( 0.505 5.364 0.312) 5.397 3.364 ( 0.621 -0.302 -1.642) 1.782 3.640 ( -0.221 0.861 0.987) 1.328 3.683 ( 2.282 1.459 4.002) 4.833 3.813 ( -2.083 -0.794 0.784) 2.363 3.933 ( -1.818 -2.919 -5.112) 6.161 9.935 ( 0.112 0.378 -0.125) 0.414 10.004 ( -0.021 -0.104 -0.204) 0.230 10.549 ( 0.713 -0.523 -0.143) 0.896 10.581 ( 0.600 -2.266 0.326) 2.366 13.974 ( -2.025 -2.064 1.124) 3.102 14.028 ( 6.663 -2.581 0.678) 7.177 16.688 ( -0.587 -0.402 -0.080) 0.716 16.718 ( -0.776 -2.561 0.499) 2.722 31.802 ( 0.323 -2.788 0.177) 2.812 31.818 ( -0.206 -7.975 0.691) 8.007 34.161 ( -0.078 14.051 0.938) 14.083 34.256 ( 0.295 17.206 -6.132) 18.268 ======================= Grid point 320 (164/195) ======================= q-point: ( 0.09 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -3.101 9.436 5.506) 11.357 1.147 ( 4.965 10.457 -0.961) 11.616 1.388 ( 3.751 7.552 2.861) 8.905 1.454 ( 3.865 5.597 0.821) 6.852 1.587 ( 6.432 12.482 -3.027) 14.365 2.039 ( 4.115 4.575 -0.701) 6.193 2.186 ( -4.684 1.912 -0.475) 5.081 2.277 ( -2.542 8.819 -0.965) 9.228 2.473 ( -1.751 -4.357 -2.231) 5.199 2.544 ( 2.398 -3.042 4.627) 6.034 2.581 ( 1.205 -0.641 1.773) 2.238 2.867 ( -0.779 -6.869 -1.299) 7.034 3.158 ( -1.146 5.773 -0.837) 5.945 3.339 ( -2.252 0.496 -1.584) 2.797 3.622 ( -2.131 0.281 0.674) 2.252 3.674 ( -3.526 1.923 -2.228) 4.592 3.795 ( -1.031 -0.055 6.034) 6.122 3.856 ( -4.503 -4.209 -1.190) 6.278 9.941 ( 0.687 0.561 -0.242) 0.920 10.002 ( 0.065 -0.007 -0.027) 0.071 10.564 ( 2.603 -0.211 -0.847) 2.745 10.667 ( 6.439 -2.491 -1.125) 6.995 13.927 ( 3.203 1.823 -1.082) 3.840 14.372 ( 23.035 -8.493 -6.170) 25.314 16.681 ( 0.623 -0.101 0.985) 1.170 16.757 ( 3.319 -2.630 1.492) 4.490 31.770 ( -2.901 -2.665 -0.174) 3.943 31.817 ( -0.758 -7.742 0.378) 7.788 34.131 ( -3.484 13.321 0.935) 13.800 34.183 ( -4.598 16.372 -3.226) 17.309 ======================= Grid point 321 (165/195) ======================= q-point: ( 0.18 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 7.948 3.097 -1.396) 8.643 1.238 ( 5.608 5.258 1.762) 7.887 1.439 ( 0.800 5.328 1.722) 5.657 1.546 ( 3.304 4.976 5.270) 7.965 1.739 ( 8.457 6.285 -3.932) 11.247 2.039 ( -4.841 4.957 -7.495) 10.207 2.078 ( -0.539 0.094 -2.499) 2.558 2.285 ( 0.745 6.048 -1.864) 6.372 2.429 ( 2.579 0.147 0.052) 2.584 2.608 ( 0.652 -0.844 5.500) 5.603 2.643 ( 3.087 0.744 3.113) 4.446 2.866 ( 1.223 -8.159 0.523) 8.267 3.118 ( -2.136 6.057 -1.574) 6.613 3.269 ( -3.801 3.317 -0.707) 5.094 3.570 ( -2.936 -0.400 -0.409) 2.991 3.600 ( -3.038 1.116 -1.278) 3.480 3.735 ( -7.303 -1.754 0.367) 7.520 3.803 ( -1.836 -2.401 4.693) 5.582 9.959 ( 1.274 1.233 -0.112) 1.777 10.011 ( 0.888 0.313 0.067) 0.944 10.637 ( 5.248 0.443 -0.960) 5.354 10.786 ( 6.439 -2.298 -1.288) 6.957 14.088 ( 12.977 3.486 0.030) 13.437 14.751 ( 20.298 -10.543 -10.754) 25.274 16.735 ( 4.365 -0.061 0.878) 4.453 16.857 ( 5.892 -3.462 2.846) 7.403 31.701 ( -4.011 -1.586 -0.291) 4.323 31.789 ( -2.207 -6.968 -0.099) 7.310 34.046 ( -5.632 11.241 0.634) 12.589 34.061 ( -6.577 14.048 -0.805) 15.533 ======================= Grid point 322 (166/195) ======================= q-point: ( 0.27 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 2.747 2.854 -5.590) 6.851 1.401 ( 4.336 3.779 -0.957) 5.831 1.494 ( 7.189 -0.232 5.245) 8.902 1.597 ( 0.917 1.511 -3.515) 3.934 1.761 ( -2.617 1.512 -4.691) 5.580 1.921 ( -5.342 -1.401 -4.192) 6.933 2.071 ( 1.287 1.163 0.191) 1.745 2.290 ( 5.481 3.034 -2.905) 6.905 2.581 ( 7.274 1.783 3.691) 8.350 2.667 ( 3.321 -0.547 4.524) 5.639 2.692 ( 0.618 -0.568 0.403) 0.931 2.916 ( 3.337 -5.562 0.957) 6.557 3.071 ( -1.660 5.851 -1.127) 6.186 3.211 ( -1.658 6.285 -0.071) 6.501 3.504 ( -6.386 0.367 -1.659) 6.608 3.518 ( -2.336 0.601 -0.401) 2.445 3.626 ( -3.293 -0.343 0.530) 3.353 3.782 ( -2.863 -2.725 4.125) 5.713 9.987 ( 1.511 2.259 0.161) 2.723 10.034 ( 1.312 0.980 0.131) 1.643 10.740 ( 5.623 0.757 -0.623) 5.708 10.892 ( 5.164 -1.950 -0.666) 5.559 14.373 ( 14.582 3.036 2.633) 15.126 15.003 ( 12.673 -9.199 -11.370) 19.352 16.847 ( 6.588 -0.495 0.358) 6.616 17.011 ( 7.928 -4.242 3.317) 9.584 31.623 ( -3.656 -0.660 -0.195) 3.720 31.735 ( -3.189 -5.545 -0.562) 6.421 33.930 ( -6.288 10.491 0.158) 12.232 33.943 ( -5.443 8.851 0.414) 10.399 ======================= Grid point 323 (167/195) ======================= q-point: ( 0.36 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -1.476 0.424 -3.687) 3.994 1.402 ( -0.033 4.694 -3.407) 5.800 1.480 ( -4.449 1.763 -9.218) 10.386 1.631 ( -7.513 -2.049 -1.887) 8.012 1.756 ( 0.441 -3.074 -3.163) 4.433 1.803 ( 6.588 -7.123 0.498) 9.715 2.149 ( 4.690 -0.682 3.149) 5.690 2.418 ( 5.883 0.168 1.868) 6.175 2.648 ( -2.513 -2.798 -0.037) 3.761 2.710 ( 3.946 -0.833 3.562) 5.381 2.787 ( 4.961 1.163 1.932) 5.449 2.995 ( 3.964 -1.882 -0.217) 4.393 3.040 ( -1.037 4.203 -1.381) 4.544 3.193 ( -1.048 7.194 -0.973) 7.334 3.384 ( -3.754 2.919 -1.244) 4.915 3.481 ( -1.284 0.747 -0.343) 1.524 3.604 ( 0.155 0.875 1.457) 1.707 3.746 ( -3.125 -2.049 3.381) 5.040 10.016 ( 1.319 3.176 0.332) 3.455 10.057 ( 0.943 1.812 0.106) 2.045 10.834 ( 4.185 0.891 -0.321) 4.291 10.975 ( 3.682 -1.809 0.022) 4.103 14.636 ( 10.216 1.762 4.170) 11.174 15.115 ( 5.850 -7.015 -9.942) 13.501 16.972 ( 5.748 -0.661 0.365) 5.798 17.177 ( 7.047 -4.655 2.388) 8.777 31.566 ( -2.120 -0.369 0.103) 2.155 31.667 ( -3.279 -3.928 -0.837) 5.185 33.826 ( -4.334 7.684 -0.341) 8.828 33.858 ( -3.651 6.185 0.901) 7.238 ======================= Grid point 324 (168/195) ======================= q-point: ( 0.45 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.069 -3.314 -1.620) 3.690 1.323 ( -5.794 -1.488 -7.371) 9.493 1.396 ( 0.991 4.460 -1.254) 4.738 1.457 ( -7.659 -0.106 -1.235) 7.759 1.671 ( -2.255 -8.327 -5.795) 10.393 2.015 ( 7.858 -6.349 3.687) 10.754 2.243 ( 3.032 -2.782 2.885) 5.025 2.449 ( -2.609 -4.388 -3.817) 6.374 2.658 ( 3.179 0.874 4.999) 5.988 2.794 ( 2.639 -0.123 2.088) 3.367 2.857 ( 1.220 -0.687 0.306) 1.433 3.010 ( -1.320 -1.597 -1.581) 2.606 3.047 ( 2.006 4.159 -0.129) 4.619 3.143 ( -2.577 6.736 -2.039) 7.495 3.345 ( -1.094 5.939 0.122) 6.040 3.470 ( 0.334 0.996 -0.601) 1.210 3.643 ( 2.503 1.005 1.292) 2.991 3.706 ( -2.380 -0.997 2.214) 3.400 10.038 ( 0.702 3.683 0.289) 3.760 10.068 ( 0.201 2.422 0.047) 2.431 10.890 ( 1.802 0.963 -0.404) 2.083 11.027 ( 1.417 -1.921 0.336) 2.410 14.800 ( 4.400 0.411 4.248) 6.130 15.125 ( 0.711 -5.356 -7.894) 9.566 17.054 ( 2.227 -0.571 0.467) 2.346 17.288 ( 3.225 -4.841 0.946) 5.893 31.546 ( -0.184 -0.695 0.391) 0.818 31.608 ( -2.122 -2.557 -0.693) 3.394 33.766 ( -1.677 6.199 -0.188) 6.425 33.817 ( -0.917 4.530 0.406) 4.640 ======================= Grid point 325 (169/195) ======================= q-point: (-0.45 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -5.439 -3.930 1.576) 6.893 1.287 ( 4.638 -1.539 -2.699) 5.582 1.347 ( -3.726 -1.848 2.263) 4.735 1.444 ( 4.567 5.295 0.792) 7.037 1.613 ( -1.352 -8.544 -0.601) 8.671 2.068 ( -4.066 -6.695 -1.236) 7.930 2.293 ( -0.589 -2.343 0.074) 2.417 2.393 ( 1.601 -4.909 -0.741) 5.217 2.734 ( 0.284 2.620 0.103) 2.637 2.808 ( -0.640 -0.862 -0.953) 1.436 2.869 ( 0.375 -0.583 -0.276) 0.747 2.978 ( -1.020 -3.307 1.180) 3.657 3.048 ( -3.182 5.616 -0.244) 6.460 3.119 ( 2.052 6.387 -0.113) 6.709 3.329 ( -1.021 5.882 1.547) 6.168 3.478 ( 0.900 1.431 -1.250) 2.102 3.645 ( -2.222 1.515 1.047) 2.886 3.734 ( 3.800 -1.898 -0.278) 4.257 10.042 ( -0.390 3.676 -0.088) 3.698 10.067 ( -0.342 2.521 0.163) 2.549 10.895 ( -0.948 0.863 -0.881) 1.556 11.028 ( -1.571 -1.960 0.300) 2.530 14.849 ( -1.406 -0.747 1.899) 2.478 15.059 ( -3.823 -4.515 -4.012) 7.149 17.055 ( -2.374 -0.534 0.377) 2.463 17.304 ( -1.630 -5.297 -0.548) 5.569 31.553 ( 0.464 -1.018 -0.235) 1.143 31.593 ( 1.003 -2.034 0.641) 2.356 33.763 ( 1.497 6.719 0.061) 6.884 33.827 ( 1.833 4.226 -0.427) 4.626 ======================= Grid point 326 (170/195) ======================= q-point: (-0.36 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.424 -1.035 7.362) 7.447 1.254 ( -5.512 0.084 5.924) 8.092 1.408 ( 3.702 1.710 0.544) 4.114 1.587 ( 8.605 2.885 3.598) 9.763 1.635 ( 3.075 -7.417 3.526) 8.769 1.898 ( -9.916 -4.959 -5.017) 12.170 2.224 ( -4.490 0.099 -3.427) 5.650 2.429 ( -2.403 -1.474 0.744) 2.916 2.673 ( -1.874 0.257 -2.506) 3.140 2.773 ( -3.702 -1.199 -1.876) 4.320 2.841 ( -2.102 -0.233 -2.684) 3.417 2.985 ( -2.847 1.136 0.327) 3.083 2.998 ( 1.499 1.586 2.557) 3.362 3.173 ( 2.667 5.978 0.551) 6.569 3.338 ( 1.610 3.075 2.767) 4.439 3.490 ( 1.252 1.878 -1.257) 2.584 3.619 ( -0.580 1.524 0.263) 1.651 3.803 ( 3.845 -3.388 -1.709) 5.402 10.024 ( -1.241 3.191 -0.393) 3.446 10.056 ( -0.926 2.038 0.165) 2.245 10.843 ( -3.794 0.658 -1.252) 4.049 10.974 ( -4.028 -1.837 0.227) 4.432 14.750 ( -8.366 -1.193 -4.998) 9.818 14.943 ( -8.308 -4.782 4.369) 10.535 16.975 ( -5.793 -0.570 0.145) 5.823 17.224 ( -5.766 -6.022 -1.935) 8.559 31.570 ( 1.720 -0.610 -0.249) 1.842 31.642 ( 2.997 -2.991 1.423) 4.467 33.825 ( 5.043 9.043 -0.254) 10.357 33.879 ( 3.963 5.420 -1.041) 6.794 ======================= Grid point 327 (171/195) ======================= q-point: (-0.27 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -5.230 1.538 6.217) 8.268 1.252 ( 1.461 3.714 14.698) 15.230 1.432 ( -2.147 1.518 1.612) 3.084 1.680 ( -6.734 -2.458 -5.734) 9.180 1.719 ( 3.006 0.818 1.019) 3.278 1.801 ( 8.060 0.943 5.393) 9.744 2.111 ( -4.234 3.333 -2.441) 5.916 2.270 ( -11.324 4.705 -0.677) 12.281 2.646 ( -7.511 -1.340 -2.567) 8.050 2.682 ( 0.671 -1.727 1.005) 2.108 2.778 ( -1.234 -0.674 -5.663) 5.835 2.941 ( -1.461 -3.325 -1.329) 3.868 3.045 ( 1.904 4.262 1.584) 4.929 3.211 ( 1.954 5.945 -0.192) 6.261 3.441 ( 6.159 -0.397 3.890) 7.295 3.512 ( 1.484 1.933 -0.083) 2.439 3.633 ( 2.191 0.721 0.133) 2.310 3.862 ( 3.673 -3.968 -2.871) 6.122 9.994 ( -1.501 2.377 -0.520) 2.859 10.034 ( -1.383 1.143 0.086) 1.796 10.742 ( -5.828 0.575 -0.936) 5.931 10.883 ( -5.549 -1.816 0.284) 5.845 14.480 ( -15.324 -0.380 -7.733) 17.169 14.778 ( -13.490 -5.917 9.474) 17.514 16.854 ( -6.271 -0.497 -0.189) 6.294 17.076 ( -7.792 -6.239 -2.730) 10.349 31.618 ( 3.271 -0.645 0.253) 3.343 31.712 ( 3.189 -4.287 1.484) 5.545 33.949 ( 7.985 12.299 -1.532) 14.743 33.961 ( 5.322 7.825 -1.285) 9.551 ======================= Grid point 328 (172/195) ======================= q-point: (-0.18 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -6.492 5.371 7.699) 11.413 1.322 ( -4.094 2.743 -2.911) 5.723 1.404 ( 0.718 5.457 10.832) 12.150 1.586 ( -1.591 3.544 -2.533) 4.638 1.703 ( -4.564 6.215 -1.825) 7.924 1.899 ( -2.915 7.952 4.328) 9.511 2.066 ( -0.237 2.216 -0.884) 2.397 2.160 ( 2.372 4.710 7.594) 9.246 2.479 ( -6.436 -2.951 -3.104) 7.731 2.675 ( -2.023 -0.434 -0.396) 2.107 2.736 ( -0.187 -1.121 -6.047) 6.153 2.907 ( -0.975 -6.579 -2.643) 7.157 3.091 ( 2.177 5.896 1.112) 6.383 3.268 ( 3.942 3.617 -0.465) 5.370 3.541 ( 2.023 -0.530 1.617) 2.644 3.568 ( 3.403 1.028 2.278) 4.222 3.716 ( 5.725 -1.117 1.392) 5.997 3.913 ( 3.912 -2.759 -4.323) 6.450 9.963 ( -1.363 1.353 -0.510) 1.987 10.011 ( -0.941 0.360 0.099) 1.012 10.625 ( -5.681 0.522 0.067) 5.705 10.768 ( -6.601 -1.900 0.477) 6.885 14.125 ( -16.194 1.498 -4.137) 16.781 14.532 ( -17.777 -6.562 9.834) 21.350 16.750 ( -4.069 -0.342 -0.521) 4.117 16.914 ( -7.189 -5.302 -2.380) 9.244 31.691 ( 3.832 -1.568 0.627) 4.188 31.774 ( 2.339 -5.466 1.224) 6.070 34.051 ( 4.818 10.818 -0.694) 11.863 34.107 ( 9.295 15.061 -4.254) 18.203 ======================= Grid point 329 (173/195) ======================= q-point: (-0.09 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 309 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.785 10.081 8.104) 12.959 1.240 ( -0.124 7.684 -5.915) 9.698 1.408 ( -8.186 8.733 4.716) 12.866 1.470 ( -5.752 8.229 -2.511) 10.349 1.619 ( -2.034 9.383 -5.400) 11.015 1.885 ( -0.715 10.179 11.412) 15.309 2.115 ( 3.806 1.666 2.249) 4.724 2.279 ( 2.966 5.125 4.406) 7.381 2.419 ( 1.631 -6.615 0.393) 6.824 2.604 ( -4.348 -2.445 -1.394) 5.179 2.684 ( -1.930 -0.813 -6.617) 6.940 2.883 ( 0.254 -6.304 -2.116) 6.654 3.138 ( 1.901 5.520 0.994) 5.922 3.336 ( 3.104 1.277 -1.075) 3.525 3.601 ( 2.854 1.280 3.655) 4.811 3.622 ( 1.628 0.314 0.880) 1.877 3.810 ( 2.133 -3.484 1.376) 4.310 3.957 ( 3.126 -0.876 -6.295) 7.083 9.941 ( -0.682 0.599 -0.224) 0.935 10.003 ( 0.043 -0.053 -0.093) 0.116 10.546 ( -2.302 -0.027 0.878) 2.463 10.647 ( -5.849 -1.837 0.647) 6.165 13.903 ( -4.135 1.715 1.003) 4.588 14.235 ( -17.162 -5.259 6.641) 19.138 16.698 ( -1.162 -0.393 -0.541) 1.341 16.785 ( -5.071 -3.674 -1.074) 6.354 31.762 ( 2.966 -3.129 0.669) 4.363 31.811 ( 0.866 -6.233 0.819) 6.346 34.127 ( 3.035 13.080 0.173) 13.429 34.230 ( 6.230 16.772 -6.557) 19.055 ======================= Grid point 330 (174/195) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 3.796 11.119 5.508) 12.976 1.420 ( -4.460 8.737 1.593) 9.938 1.483 ( 0.267 7.466 -1.161) 7.560 1.498 ( -2.280 2.447 -1.748) 3.774 1.816 ( 0.635 11.535 -2.542) 11.829 2.034 ( 0.997 1.932 1.404) 2.588 2.254 ( -2.589 -4.806 -0.325) 5.468 2.280 ( 1.292 -9.463 -0.444) 9.561 2.430 ( 4.699 5.260 8.506) 11.050 2.512 ( 1.083 3.940 4.421) 6.020 2.638 ( -3.322 4.493 -7.056) 9.001 2.803 ( -0.267 -2.838 -2.881) 4.053 3.285 ( 0.367 5.646 0.542) 5.684 3.353 ( -0.123 -0.118 -1.342) 1.353 3.649 ( 0.009 0.409 0.984) 1.066 3.679 ( 1.478 -1.440 2.978) 3.623 3.761 ( 0.113 -3.410 1.252) 3.634 3.823 ( -3.144 -7.033 -3.793) 8.587 9.947 ( 0.094 0.764 -0.157) 0.786 9.991 ( 0.055 -0.999 -0.230) 1.027 10.537 ( 1.070 -0.501 0.023) 1.181 10.544 ( -0.283 -1.140 0.118) 1.180 13.945 ( 0.443 -0.639 0.885) 1.178 13.979 ( 2.363 -1.967 0.907) 3.206 16.679 ( -0.906 -0.504 0.034) 1.037 16.681 ( 0.129 -0.982 0.232) 1.017 31.715 ( 0.018 -2.045 0.133) 2.049 31.750 ( -0.095 -2.350 -0.051) 2.352 34.418 ( -0.010 9.796 0.259) 9.800 34.509 ( 0.159 6.814 -4.618) 8.233 ======================= Grid point 331 (175/195) ======================= q-point: ( 0.09 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -6.150 9.406 2.010) 11.417 1.351 ( -1.970 7.282 -2.023) 7.810 1.506 ( 2.520 4.893 3.420) 6.480 1.569 ( 3.961 4.284 3.046) 6.583 1.815 ( 1.338 8.864 -2.112) 9.209 2.090 ( 1.010 0.165 -2.227) 2.451 2.173 ( 0.554 -2.787 2.511) 3.791 2.396 ( 5.775 -4.893 0.194) 7.571 2.448 ( -5.543 6.555 -6.424) 10.722 2.542 ( 1.606 2.011 1.405) 2.932 2.596 ( 1.584 3.684 3.297) 5.191 2.761 ( -2.485 -3.361 -0.781) 4.253 3.283 ( -0.667 5.840 -0.582) 5.906 3.342 ( -0.492 0.494 -0.090) 0.703 3.624 ( -2.822 0.175 0.404) 2.856 3.665 ( -3.823 -2.584 -1.962) 5.014 3.740 ( -2.120 -3.986 1.316) 4.703 3.762 ( -2.712 -4.617 3.415) 6.351 9.956 ( 0.992 0.801 -0.203) 1.291 9.994 ( 0.511 -0.713 -0.160) 0.891 10.565 ( 3.575 0.419 -0.678) 3.663 10.618 ( 5.838 -2.028 -0.574) 6.206 13.981 ( 6.881 3.403 -1.158) 7.763 14.204 ( 16.982 -7.272 -3.073) 18.727 16.681 ( 1.284 0.137 0.691) 1.464 16.713 ( 2.668 -1.568 0.788) 3.194 31.704 ( -1.164 -2.100 0.004) 2.401 31.732 ( -1.730 -2.244 0.180) 2.839 34.372 ( -4.814 8.979 0.316) 10.193 34.434 ( -5.592 7.192 -2.311) 9.399 ======================= Grid point 332 (176/195) ======================= q-point: ( 0.18 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 2.148 5.566 -0.436) 5.982 1.328 ( 1.221 2.404 -0.649) 2.773 1.558 ( 1.033 5.801 2.051) 6.239 1.639 ( 1.170 3.233 2.683) 4.361 1.850 ( 2.344 4.464 -1.820) 5.361 2.030 ( -5.396 -3.521 0.648) 6.475 2.173 ( -3.553 6.918 -6.825) 10.347 2.379 ( -2.896 2.801 -4.709) 6.197 2.437 ( 6.720 0.644 -0.788) 6.796 2.587 ( 2.542 -7.008 1.369) 7.579 2.664 ( 2.531 3.349 3.380) 5.389 2.741 ( 0.844 -1.598 2.593) 3.161 3.256 ( -1.607 6.978 -0.735) 7.198 3.332 ( -0.545 2.879 0.248) 2.940 3.551 ( -3.703 -1.143 -1.430) 4.131 3.587 ( -3.195 -2.145 -0.325) 3.862 3.682 ( -4.807 -2.497 0.613) 5.451 3.734 ( -2.515 -4.347 4.583) 6.799 9.984 ( 2.052 1.109 0.009) 2.332 10.014 ( 1.611 -0.115 0.011) 1.615 10.655 ( 5.770 1.246 -0.807) 5.958 10.736 ( 6.484 -2.380 -0.853) 6.959 14.185 ( 14.136 5.771 -1.353) 15.329 14.528 ( 18.403 -10.282 -6.485) 22.055 16.738 ( 4.289 0.472 0.736) 4.377 16.795 ( 5.268 -2.392 1.624) 6.009 31.668 ( -2.578 -1.243 -0.179) 2.868 31.693 ( -2.281 -2.584 0.302) 3.460 34.249 ( -7.803 7.548 0.154) 10.857 34.285 ( -8.754 6.777 -0.216) 11.073 ======================= Grid point 333 (177/195) ======================= q-point: ( 0.27 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 2.692 3.502 -5.126) 6.767 1.412 ( 6.891 -1.755 1.090) 7.194 1.563 ( -1.205 4.857 -2.016) 5.395 1.638 ( -0.826 2.137 -3.072) 3.832 1.804 ( -6.302 1.841 -3.187) 7.297 1.871 ( -9.983 -2.784 -0.929) 10.405 2.115 ( 0.731 3.725 -1.459) 4.067 2.324 ( 2.342 -0.630 -2.718) 3.643 2.591 ( 4.410 -0.736 3.793) 5.863 2.612 ( -0.248 -3.979 3.080) 5.037 2.729 ( 3.915 3.224 0.537) 5.100 2.831 ( 6.280 -2.056 1.384) 6.752 3.211 ( -2.390 6.900 -1.557) 7.467 3.329 ( 0.001 4.390 -0.140) 4.392 3.475 ( -3.500 -1.363 -2.044) 4.276 3.529 ( -2.416 -1.021 0.165) 2.628 3.614 ( -2.170 -0.350 1.979) 2.958 3.710 ( -2.233 -3.922 3.437) 5.673 10.030 ( 2.485 1.709 0.312) 3.032 10.052 ( 2.184 0.631 0.210) 2.283 10.763 ( 5.712 1.473 -0.556) 5.925 10.847 ( 5.428 -2.239 -0.577) 5.900 14.462 ( 14.245 5.561 -0.311) 15.295 14.799 ( 13.648 -9.816 -7.615) 18.456 16.847 ( 6.401 0.591 0.551) 6.452 16.930 ( 7.425 -3.325 1.971) 8.371 31.612 ( -2.969 -0.362 -0.130) 2.994 31.648 ( -2.492 -2.725 -0.019) 3.693 34.094 ( -8.097 5.844 0.485) 9.997 34.113 ( -8.730 5.650 0.325) 10.404 ======================= Grid point 334 (178/195) ======================= q-point: ( 0.36 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -4.435 3.835 -5.376) 7.955 1.465 ( -3.623 1.050 -8.818) 9.591 1.499 ( -0.618 -2.189 -6.196) 6.601 1.549 ( -8.036 -4.563 -5.713) 10.864 1.693 ( -5.846 0.144 -0.421) 5.863 1.742 ( 4.526 -0.779 3.832) 5.981 2.159 ( 2.593 2.422 1.768) 3.964 2.383 ( 1.949 -4.250 -0.813) 4.746 2.607 ( -0.168 -0.325 4.502) 4.517 2.679 ( 3.270 -2.046 4.212) 5.712 2.825 ( 4.197 2.543 0.384) 4.923 2.944 ( 3.905 -2.512 -0.309) 4.653 3.161 ( -1.121 6.152 -1.970) 6.556 3.299 ( -2.408 2.036 -2.165) 3.825 3.438 ( 0.816 2.729 -0.653) 2.923 3.500 ( -1.047 0.561 0.636) 1.347 3.614 ( 0.529 0.404 2.260) 2.356 3.692 ( -1.540 -2.916 2.663) 4.239 10.077 ( 2.021 2.322 0.424) 3.107 10.093 ( 1.730 1.370 0.293) 2.226 10.858 ( 4.185 1.395 -0.281) 4.420 10.934 ( 3.760 -2.065 -0.170) 4.293 14.695 ( 9.487 3.991 0.712) 10.317 14.956 ( 7.304 -7.761 -6.967) 12.732 16.973 ( 5.883 0.853 0.504) 5.966 17.082 ( 6.807 -4.127 1.537) 8.108 31.561 ( -2.099 -0.068 -0.038) 2.101 31.600 ( -2.316 -2.349 -0.312) 3.313 33.958 ( -6.155 4.592 0.579) 7.701 33.972 ( -5.839 4.069 0.274) 7.122 ======================= Grid point 335 (179/195) ======================= q-point: ( 0.45 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -4.032 -0.339 -2.844) 4.946 1.268 ( -8.923 -4.334 -5.462) 11.324 1.400 ( -4.441 -1.761 -3.549) 5.951 1.434 ( -0.765 -3.501 -6.878) 7.756 1.636 ( -1.180 5.404 -0.600) 5.564 1.888 ( 5.723 -5.710 2.861) 8.576 2.210 ( 1.683 -0.008 2.312) 2.859 2.345 ( -3.234 -5.189 -3.115) 6.862 2.688 ( 4.267 1.881 5.946) 7.557 2.777 ( 4.089 -1.663 3.821) 5.838 2.860 ( -0.329 1.116 -1.416) 1.832 2.952 ( -1.727 -2.849 -2.451) 4.136 3.161 ( 1.174 5.339 -0.205) 5.470 3.248 ( -1.523 2.761 -1.890) 3.676 3.453 ( -0.057 4.018 0.366) 4.035 3.497 ( 0.644 1.213 -0.321) 1.410 3.649 ( 1.658 -0.107 1.784) 2.437 3.680 ( -1.091 -1.442 1.625) 2.431 10.108 ( 0.915 2.623 0.326) 2.797 10.117 ( 0.575 1.927 0.224) 2.023 10.914 ( 1.722 1.294 -0.294) 2.174 10.984 ( 1.417 -2.049 0.034) 2.492 14.826 ( 3.615 2.181 1.243) 4.401 15.005 ( 1.635 -5.775 -5.467) 8.119 17.059 ( 2.396 1.133 0.430) 2.685 17.186 ( 2.938 -4.592 0.772) 5.506 31.535 ( -0.596 -0.282 0.093) 0.666 31.562 ( -1.281 -1.731 -0.297) 2.174 33.878 ( -2.152 4.066 0.194) 4.604 33.899 ( -1.837 2.882 0.163) 3.422 ======================= Grid point 336 (180/195) ======================= q-point: (-0.45 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -2.613 -1.050 2.277) 3.622 1.201 ( 3.680 -6.378 2.349) 7.729 1.314 ( -2.737 0.104 0.010) 2.739 1.430 ( 2.640 -5.456 -3.749) 7.126 1.627 ( 0.795 7.653 0.709) 7.727 1.927 ( -2.730 -6.563 -0.763) 7.149 2.255 ( 0.357 -1.254 0.030) 1.304 2.296 ( 1.753 -3.787 -0.472) 4.200 2.782 ( 0.310 2.054 0.535) 2.145 2.808 ( -1.128 0.697 -0.831) 1.565 2.855 ( -0.360 -0.819 -1.419) 1.677 2.901 ( 0.201 -3.625 1.469) 3.917 3.161 ( -1.823 4.836 -0.160) 5.170 3.224 ( 0.023 3.072 -0.035) 3.072 3.440 ( -1.526 4.470 1.284) 4.895 3.510 ( 0.938 1.107 -1.193) 1.879 3.662 ( -1.136 0.275 0.527) 1.282 3.693 ( 1.888 -1.848 0.528) 2.694 10.111 ( -0.705 2.567 0.003) 2.662 10.118 ( -0.542 2.034 0.146) 2.110 10.917 ( -1.175 1.210 -0.586) 1.785 10.985 ( -1.412 -2.031 0.012) 2.473 14.846 ( -2.181 0.663 0.551) 2.345 14.961 ( -3.588 -4.479 -2.706) 6.345 17.061 ( -2.386 1.202 0.244) 2.683 17.195 ( -2.265 -4.875 -0.019) 5.375 31.537 ( 0.607 -0.490 -0.038) 0.781 31.556 ( 0.777 -1.440 0.277) 1.660 33.883 ( 2.710 4.248 -0.240) 5.045 33.905 ( 2.384 2.815 -0.304) 3.701 ======================= Grid point 337 (181/195) ======================= q-point: (-0.36 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 3.559 3.231 8.013) 9.344 1.266 ( -2.557 0.523 8.657) 9.042 1.381 ( 7.513 -3.088 3.607) 8.887 1.462 ( 2.064 -8.043 1.553) 8.447 1.698 ( 6.066 5.889 0.634) 8.479 1.828 ( -4.024 -1.965 -4.082) 6.059 2.218 ( -2.159 0.214 -3.418) 4.048 2.358 ( 1.184 -4.624 1.454) 4.990 2.698 ( -3.409 1.624 -3.935) 5.454 2.760 ( -3.988 -0.830 -2.819) 4.954 2.834 ( -1.652 0.611 -0.420) 1.811 2.932 ( -0.849 -2.829 1.107) 3.155 3.122 ( -0.770 6.063 1.116) 6.213 3.250 ( 2.294 1.085 1.844) 3.137 3.417 ( -1.352 4.336 1.262) 4.714 3.520 ( 0.951 0.358 -1.120) 1.512 3.644 ( -0.641 1.075 -0.355) 1.301 3.730 ( 2.088 -3.321 -0.694) 3.984 10.085 ( -1.903 2.288 -0.270) 2.988 10.096 ( -1.705 1.547 -0.048) 2.303 10.863 ( -3.992 1.212 -0.775) 4.243 10.933 ( -3.885 -1.998 -0.039) 4.369 14.738 ( -8.736 0.232 -2.607) 9.120 14.842 ( -8.761 -4.472 2.682) 10.195 16.978 ( -5.886 1.045 0.021) 5.978 17.107 ( -6.356 -4.941 -0.698) 8.081 31.560 ( 1.910 -0.231 0.041) 1.924 31.590 ( 2.301 -1.901 0.600) 3.045 33.976 ( 7.165 4.843 -1.115) 8.720 33.983 ( 6.093 4.079 -0.690) 7.365 ======================= Grid point 338 (182/195) ======================= q-point: (-0.27 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -2.381 5.223 6.018) 8.317 1.347 ( 5.334 4.745 14.366) 16.042 1.400 ( -3.400 -3.470 1.409) 5.058 1.593 ( 3.919 -5.332 4.318) 7.901 1.783 ( 3.565 4.327 -0.796) 5.663 1.856 ( 8.433 2.961 -1.034) 8.997 2.148 ( -2.367 1.274 -3.592) 4.487 2.307 ( -5.726 -1.684 -0.553) 5.994 2.644 ( -7.820 0.695 -1.301) 7.958 2.656 ( -0.459 -0.594 -0.323) 0.817 2.774 ( -1.585 0.624 -3.987) 4.336 2.872 ( -3.721 -2.786 -2.300) 5.186 3.165 ( 3.147 6.150 2.512) 7.351 3.313 ( 1.882 2.391 1.375) 3.339 3.428 ( 2.485 0.749 2.104) 3.342 3.535 ( 1.232 -0.525 -0.428) 1.406 3.644 ( 1.171 0.732 -0.634) 1.520 3.769 ( 2.685 -4.646 -1.624) 5.607 10.040 ( -2.454 1.728 -0.528) 3.048 10.056 ( -2.291 0.800 -0.128) 2.430 10.762 ( -5.896 1.349 -0.499) 6.069 10.841 ( -5.621 -2.121 0.051) 6.008 14.490 ( -14.802 1.504 -3.213) 15.221 14.652 ( -13.849 -5.790 5.937) 16.142 16.856 ( -6.335 0.784 -0.184) 6.386 16.963 ( -7.553 -4.433 -1.074) 8.824 31.608 ( 2.831 -0.269 0.231) 2.853 31.643 ( 2.741 -2.315 0.456) 3.616 34.111 ( 7.865 5.934 -1.121) 9.916 34.143 ( 10.461 5.733 -2.268) 12.143 ======================= Grid point 339 (183/195) ======================= q-point: (-0.18 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -1.725 7.509 5.831) 9.662 1.350 ( -0.931 -0.803 -1.016) 1.595 1.526 ( 3.748 5.636 9.343) 11.537 1.633 ( 0.242 1.079 0.987) 1.482 1.831 ( 0.123 6.038 -1.049) 6.130 2.032 ( 8.473 2.900 2.319) 9.251 2.091 ( -2.563 1.447 -2.058) 3.591 2.248 ( 1.147 2.428 5.496) 6.117 2.453 ( -10.017 0.883 -1.332) 10.143 2.609 ( -5.238 -5.870 -0.161) 7.869 2.749 ( 0.732 1.863 -4.529) 4.951 2.812 ( -0.135 -2.029 -3.655) 4.183 3.236 ( 2.413 7.413 1.411) 7.923 3.336 ( 1.049 2.893 -0.077) 3.078 3.509 ( 3.469 -1.524 2.120) 4.341 3.577 ( 2.943 -0.971 0.911) 3.230 3.685 ( 3.162 -1.080 0.147) 3.345 3.816 ( 3.434 -6.098 -2.541) 7.446 9.990 ( -2.212 1.133 -0.543) 2.544 10.015 ( -1.692 0.010 -0.107) 1.696 10.644 ( -5.988 1.311 0.142) 6.132 10.724 ( -6.505 -2.205 0.279) 6.874 14.175 ( -15.456 3.280 -0.846) 15.823 14.390 ( -16.537 -6.620 6.245) 18.876 16.750 ( -4.287 0.449 -0.331) 4.323 16.824 ( -6.038 -3.287 -0.985) 6.946 31.663 ( 2.542 -0.848 0.308) 2.697 31.695 ( 2.480 -2.398 0.090) 3.451 34.256 ( 7.482 8.095 -0.903) 11.060 34.331 ( 10.498 6.084 -4.076) 12.800 ======================= Grid point 340 (184/195) ======================= q-point: (-0.09 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 3.248 9.902 6.384) 12.221 1.369 ( 3.692 3.209 -1.835) 5.224 1.560 ( -1.741 5.846 -0.591) 6.129 1.601 ( -5.743 4.565 1.223) 7.437 1.813 ( 0.436 8.480 -2.084) 8.743 2.047 ( -2.145 4.634 2.124) 5.530 2.185 ( 5.538 0.831 1.394) 5.771 2.302 ( -2.333 0.200 3.861) 4.515 2.377 ( 3.473 2.887 5.033) 6.762 2.478 ( -6.268 -8.780 1.310) 10.867 2.722 ( -0.997 3.381 -5.846) 6.827 2.808 ( 1.241 -1.448 -3.462) 3.952 3.269 ( 0.833 6.770 0.731) 6.860 3.354 ( 0.873 0.916 -1.093) 1.673 3.593 ( 3.812 -0.922 2.947) 4.906 3.632 ( 2.074 0.004 0.887) 2.256 3.740 ( 1.794 -2.763 0.467) 3.327 3.858 ( 1.987 -7.624 -3.711) 8.710 9.956 ( -1.031 0.841 -0.258) 1.355 9.994 ( -0.439 -0.723 -0.162) 0.861 10.552 ( -3.338 0.639 0.591) 3.450 10.608 ( -5.342 -1.833 0.361) 5.659 13.951 ( -6.753 2.912 1.505) 7.507 14.124 ( -13.422 -5.158 4.285) 15.004 16.692 ( -1.679 -0.055 -0.295) 1.706 16.727 ( -3.620 -1.934 -0.480) 4.132 31.702 ( 1.283 -1.616 0.234) 2.076 31.735 ( 1.583 -2.335 -0.122) 2.823 34.372 ( 4.639 9.553 -0.324) 10.624 34.473 ( 6.538 6.303 -5.269) 10.499 ======================= Grid point 341 (185/195) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 3.447 -3.511 3.895) 6.276 1.469 ( 3.447 3.511 3.895) 6.276 1.558 ( -4.343 -1.754 -1.512) 4.922 1.558 ( -4.343 1.754 -1.512) 4.922 2.051 ( 1.324 -10.255 -1.052) 10.394 2.051 ( 1.324 10.255 -1.052) 10.394 2.112 ( -1.905 -5.072 -0.497) 5.440 2.112 ( -1.905 5.072 -0.497) 5.440 2.538 ( 4.130 -2.314 6.677) 8.185 2.538 ( 4.130 2.314 6.677) 8.185 2.738 ( -2.149 -3.900 -4.923) 6.638 2.738 ( -2.149 3.900 -4.923) 6.638 3.360 ( -0.259 -0.649 -0.150) 0.715 3.360 ( -0.259 0.649 -0.150) 0.715 3.661 ( 0.328 -1.566 0.647) 1.726 3.661 ( 0.328 1.566 0.647) 1.726 3.712 ( -1.040 -0.614 -0.084) 1.211 3.712 ( -1.040 0.614 -0.084) 1.211 9.967 ( 0.080 -1.152 -0.201) 1.172 9.967 ( 0.080 1.152 -0.201) 1.172 10.532 ( 0.315 -0.105 0.048) 0.335 10.532 ( 0.315 0.105 0.048) 0.335 13.948 ( 1.120 -0.902 0.855) 1.673 13.948 ( 1.120 0.902 0.855) 1.673 16.672 ( -0.297 -0.088 0.083) 0.321 16.672 ( -0.297 0.088 0.083) 0.321 31.710 ( -0.059 -1.170 -0.070) 1.174 31.710 ( -0.059 1.170 -0.070) 1.174 34.551 ( 0.063 -2.509 -1.904) 3.150 34.551 ( 0.063 2.509 -1.904) 3.150 ======================= Grid point 343 (186/195) ======================= q-point: ( 0.09 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -5.958 -2.363 -1.034) 6.492 1.401 ( -5.958 2.363 -1.034) 6.492 1.596 ( 3.006 -2.171 3.596) 5.165 1.596 ( 3.006 2.171 3.596) 5.165 1.978 ( -2.801 -7.414 -0.751) 7.961 1.978 ( -2.801 7.414 -0.751) 7.961 2.246 ( 9.448 -7.360 1.253) 12.042 2.246 ( 9.448 7.360 1.253) 12.042 2.547 ( -5.038 -2.166 -5.662) 7.883 2.547 ( -5.038 2.166 -5.662) 7.883 2.694 ( 0.012 -3.825 2.794) 4.737 2.694 ( 0.012 3.825 2.794) 4.737 3.360 ( 0.192 -0.454 0.472) 0.682 3.360 ( 0.192 0.454 0.472) 0.682 3.620 ( -3.913 -0.298 -0.036) 3.925 3.620 ( -3.913 0.298 -0.036) 3.925 3.695 ( -1.624 -0.773 1.384) 2.270 3.695 ( -1.624 0.773 1.384) 2.270 9.975 ( 0.941 -0.997 -0.188) 1.384 9.975 ( 0.941 0.997 -0.188) 1.384 10.583 ( 4.775 -1.284 -0.523) 4.973 10.583 ( 4.775 1.284 -0.523) 4.973 14.072 ( 11.461 -5.289 -1.654) 12.730 14.072 ( 11.461 5.289 -1.654) 12.730 16.689 ( 1.969 -0.727 0.569) 2.174 16.689 ( 1.969 0.727 0.569) 2.174 31.696 ( -1.369 -0.950 0.077) 1.668 31.696 ( -1.369 0.950 0.077) 1.669 34.488 ( -5.532 -1.746 -0.890) 5.869 34.488 ( -5.532 1.746 -0.890) 5.869 ======================= Grid point 345 (187/195) ======================= q-point: ( 0.18 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -0.598 -2.508 -0.961) 2.752 1.326 ( -0.598 2.508 -0.961) 2.752 1.652 ( 1.190 -2.298 1.601) 3.043 1.652 ( 1.190 2.298 1.601) 3.043 1.940 ( -2.307 -4.409 0.333) 4.988 1.940 ( -2.307 4.409 0.333) 4.988 2.346 ( -6.354 -8.261 -7.931) 13.097 2.346 ( -6.354 8.261 -7.931) 13.097 2.451 ( 6.903 -1.562 2.148) 7.397 2.451 ( 6.903 1.562 2.148) 7.397 2.725 ( 1.237 -1.530 2.660) 3.308 2.725 ( 1.237 1.530 2.660) 3.308 3.367 ( -0.142 -1.530 0.324) 1.570 3.367 ( -0.142 1.530 0.324) 1.570 3.537 ( -4.061 -1.377 -0.575) 4.327 3.537 ( -4.061 1.377 -0.575) 4.327 3.662 ( -2.526 -1.405 2.217) 3.643 3.662 ( -2.526 1.405 2.217) 3.643 10.004 ( 2.173 -0.750 0.036) 2.299 10.004 ( 2.173 0.750 0.036) 2.299 10.689 ( 6.235 -2.004 -0.745) 6.591 10.689 ( 6.235 2.004 -0.745) 6.591 14.332 ( 16.063 -8.239 -3.426) 18.375 14.332 ( 16.063 8.239 -3.426) 18.375 16.757 ( 4.640 -1.315 0.948) 4.916 16.757 ( 4.640 1.315 0.948) 4.916 31.661 ( -2.284 -0.624 0.119) 2.370 31.661 ( -2.284 0.624 0.119) 2.370 34.343 ( -8.942 -1.105 -0.012) 9.010 34.343 ( -8.942 1.105 -0.012) 9.010 ======================= Grid point 347 (188/195) ======================= q-point: ( 0.27 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 3.700 -3.131 -2.240) 5.339 1.358 ( 3.700 3.131 -2.240) 5.339 1.644 ( -1.869 -2.244 -4.415) 5.294 1.644 ( -1.869 2.244 -4.415) 5.294 1.829 ( -9.447 -1.301 0.008) 9.536 1.829 ( -9.447 1.301 0.008) 9.536 2.236 ( 0.365 -6.774 -3.273) 7.532 2.236 ( 0.365 6.774 -3.273) 7.532 2.571 ( 2.293 -0.458 4.728) 5.275 2.571 ( 2.293 0.458 4.728) 5.275 2.793 ( 5.118 -2.403 0.397) 5.668 2.793 ( 5.118 2.403 0.397) 5.668 3.337 ( -2.734 -4.150 -1.762) 5.273 3.337 ( -2.734 4.150 -1.762) 5.273 3.485 ( -0.781 -2.487 0.009) 2.607 3.485 ( -0.781 2.487 0.009) 2.607 3.636 ( -1.550 -2.647 2.816) 4.164 3.636 ( -1.550 2.647 2.816) 4.164 10.054 ( 2.743 -0.521 0.313) 2.810 10.054 ( 2.743 0.521 0.313) 2.810 10.801 ( 5.625 -2.070 -0.548) 6.019 10.801 ( 5.625 2.070 -0.548) 6.019 14.607 ( 14.030 -8.182 -3.807) 16.682 14.607 ( 14.030 8.182 -3.807) 16.682 16.874 ( 6.752 -1.973 1.058) 7.113 16.874 ( 6.752 1.973 1.058) 7.113 31.614 ( -2.570 -0.721 0.001) 2.669 31.614 ( -2.570 0.721 0.001) 2.669 34.165 ( -9.243 -0.650 0.435) 9.276 34.165 ( -9.243 0.650 0.435) 9.276 ======================= Grid point 349 (189/195) ======================= q-point: ( 0.36 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -5.030 -6.947 -4.501) 9.686 1.356 ( -5.030 6.947 -4.501) 9.686 1.502 ( -5.520 -1.572 -11.022) 12.427 1.502 ( -5.520 1.572 -11.022) 12.427 1.723 ( -0.972 -1.441 3.955) 4.320 1.723 ( -0.972 1.441 3.955) 4.320 2.258 ( 0.940 -6.420 -0.416) 6.501 2.258 ( 0.940 6.420 -0.416) 6.501 2.632 ( 2.410 -2.137 5.298) 6.200 2.632 ( 2.410 2.137 5.298) 6.200 2.886 ( 3.417 -2.973 -0.493) 4.556 2.886 ( 3.417 2.973 -0.493) 4.556 3.273 ( -1.788 -3.936 -2.321) 4.907 3.273 ( -1.788 3.936 -2.321) 4.907 3.490 ( 0.700 -1.691 0.277) 1.851 3.490 ( 0.700 1.691 0.277) 1.851 3.637 ( -0.109 -1.974 2.617) 3.280 3.637 ( -0.109 1.974 2.617) 3.280 10.105 ( 2.207 -0.328 0.414) 2.270 10.105 ( 2.207 0.328 0.414) 2.270 10.892 ( 3.967 -1.857 -0.256) 4.387 10.892 ( 3.967 1.857 -0.256) 4.387 14.805 ( 8.527 -6.414 -3.217) 11.144 14.805 ( 8.527 6.414 -3.217) 11.144 17.010 ( 6.286 -2.661 0.894) 6.885 17.010 ( 6.286 2.661 0.894) 6.885 31.568 ( -2.082 -0.816 -0.129) 2.240 31.568 ( -2.082 0.816 -0.129) 2.240 34.012 ( -6.681 -0.406 0.475) 6.710 34.012 ( -6.681 0.406 0.475) 6.710 ======================= Grid point 351 (190/195) ======================= q-point: ( 0.45 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -8.389 -4.396 -3.506) 10.099 1.161 ( -8.389 4.396 -3.506) 10.099 1.388 ( -1.991 -0.859 -7.074) 7.399 1.388 ( -1.991 0.859 -7.074) 7.399 1.767 ( 1.943 -6.108 1.795) 6.656 1.767 ( 1.943 6.108 1.795) 6.656 2.249 ( -0.921 -3.548 -0.289) 3.677 2.249 ( -0.921 3.548 -0.289) 3.677 2.733 ( 4.384 -2.293 5.071) 7.084 2.733 ( 4.384 2.293 5.071) 7.084 2.897 ( -1.232 -2.285 -2.285) 3.458 2.897 ( -1.232 2.285 -2.285) 3.458 3.249 ( -0.187 -2.505 -1.041) 2.719 3.249 ( -0.187 2.505 -1.041) 2.719 3.505 ( 0.525 -0.871 0.107) 1.023 3.505 ( 0.525 0.871 0.107) 1.023 3.654 ( 0.387 -0.774 1.706) 1.912 3.654 ( 0.387 0.774 1.706) 1.912 10.138 ( 0.875 -0.139 0.316) 0.941 10.138 ( 0.875 0.139 0.316) 0.941 10.945 ( 1.549 -1.680 -0.167) 2.291 10.945 ( 1.549 1.680 -0.167) 2.291 14.895 ( 2.648 -4.396 -2.226) 5.594 14.895 ( 2.648 4.396 -2.226) 5.594 17.104 ( 2.635 -3.123 0.561) 4.125 17.104 ( 2.635 3.123 0.561) 4.125 31.538 ( -0.880 -0.601 -0.095) 1.070 31.538 ( -0.880 0.601 -0.095) 1.070 33.926 ( -2.239 -0.466 0.205) 2.296 33.926 ( -2.239 0.466 0.205) 2.296 ======================= Grid point 353 (191/195) ======================= q-point: (-0.45 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.796 -4.012 3.323) 5.270 1.082 ( 0.796 4.012 3.323) 5.270 1.343 ( 0.316 -2.703 -2.759) 3.876 1.343 ( 0.316 2.703 -2.759) 3.876 1.786 ( -0.294 -7.135 0.036) 7.142 1.786 ( -0.294 7.135 0.036) 7.142 2.248 ( 1.002 -0.788 -0.198) 1.290 2.248 ( 1.002 0.788 -0.198) 1.290 2.822 ( -1.655 -0.864 -1.487) 2.387 2.822 ( -1.655 0.864 -1.487) 2.387 2.841 ( 1.089 -0.990 1.333) 1.985 2.841 ( 1.089 0.990 1.333) 1.985 3.236 ( -1.011 -1.825 -0.023) 2.087 3.236 ( -1.011 1.825 -0.023) 2.087 3.506 ( -0.372 -1.676 -0.017) 1.717 3.506 ( -0.372 1.676 -0.017) 1.717 3.667 ( 0.327 -0.527 0.518) 0.808 3.667 ( 0.327 0.527 0.518) 0.808 10.140 ( -0.743 -0.099 0.092) 0.756 10.140 ( -0.743 0.099 0.092) 0.756 10.946 ( -1.288 -1.608 -0.295) 2.081 10.946 ( -1.288 1.608 -0.295) 2.081 14.882 ( -2.992 -2.829 -1.081) 4.257 14.882 ( -2.992 2.829 -1.081) 4.257 17.108 ( -2.414 -3.271 0.172) 4.069 17.108 ( -2.414 3.271 0.172) 4.069 31.536 ( 0.684 -0.444 0.091) 0.820 31.536 ( 0.684 0.444 0.091) 0.820 33.932 ( 2.850 -0.412 -0.299) 2.895 33.932 ( 2.850 0.412 -0.299) 2.895 ======================= Grid point 355 (192/195) ======================= q-point: (-0.36 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 6.120 -6.350 9.681) 13.096 1.204 ( 6.120 6.350 9.681) 13.096 1.355 ( 1.076 -2.166 1.749) 2.985 1.355 ( 1.077 2.166 1.749) 2.985 1.789 ( 2.247 -2.553 -2.110) 4.002 1.789 ( 2.247 2.553 -2.110) 4.002 2.261 ( -0.259 -3.904 -0.586) 3.956 2.261 ( -0.259 3.904 -0.586) 3.956 2.732 ( -3.348 -1.557 -3.946) 5.403 2.732 ( -3.348 1.557 -3.946) 5.403 2.873 ( -1.187 -2.652 0.960) 3.060 2.873 ( -1.187 2.652 0.960) 3.060 3.225 ( 0.233 -3.315 1.662) 3.715 3.225 ( 0.233 3.315 1.662) 3.715 3.496 ( -0.546 -2.696 -0.137) 2.754 3.496 ( -0.546 2.696 -0.137) 2.754 3.673 ( 0.458 -1.992 -0.625) 2.138 3.673 ( 0.458 1.992 -0.625) 2.138 10.112 ( -2.126 -0.235 -0.171) 2.146 10.112 ( -2.126 0.235 -0.171) 2.146 10.893 ( -3.923 -1.701 -0.385) 4.293 10.893 ( -3.923 1.701 -0.385) 4.293 14.767 ( -8.890 -2.549 0.179) 9.250 14.767 ( -8.890 2.549 0.179) 9.250 17.022 ( -6.171 -3.085 -0.178) 6.902 17.022 ( -6.171 3.085 -0.178) 6.902 31.564 ( 2.047 -0.654 0.244) 2.162 31.564 ( 2.047 0.654 0.244) 2.162 34.028 ( 7.326 -0.194 -0.969) 7.393 34.028 ( 7.326 0.194 -0.969) 7.393 ======================= Grid point 357 (193/195) ======================= q-point: (-0.27 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -1.789 -5.798 4.522) 7.567 1.288 ( -1.789 5.798 4.522) 7.567 1.472 ( 6.756 -5.902 9.795) 13.283 1.472 ( 6.756 5.902 9.795) 13.283 1.863 ( 6.507 -2.480 -2.625) 7.442 1.863 ( 6.507 2.480 -2.625) 7.442 2.219 ( -2.872 -5.278 -0.993) 6.091 2.219 ( -2.872 5.278 -0.993) 6.091 2.652 ( -4.353 -0.254 -2.369) 4.962 2.652 ( -4.353 0.254 -2.369) 4.962 2.814 ( -2.931 -2.750 -1.921) 4.454 2.814 ( -2.931 2.750 -1.921) 4.454 3.280 ( 3.587 -4.344 3.021) 6.392 3.280 ( 3.587 4.344 3.021) 6.392 3.490 ( 0.235 -3.484 -0.174) 3.497 3.490 ( 0.235 3.484 -0.174) 3.497 3.682 ( 1.162 -3.166 -1.298) 3.613 3.682 ( 1.162 3.166 -1.298) 3.613 10.062 ( -2.780 -0.351 -0.368) 2.826 10.062 ( -2.780 0.351 -0.368) 2.826 10.797 ( -5.776 -1.948 -0.204) 6.099 10.797 ( -5.776 1.948 -0.204) 6.099 14.547 ( -14.247 -3.949 1.531) 14.863 14.547 ( -14.247 3.949 1.531) 14.863 16.890 ( -6.834 -2.530 -0.409) 7.298 16.890 ( -6.834 2.530 -0.409) 7.298 31.612 ( 2.688 -0.752 0.204) 2.799 31.612 ( 2.688 0.752 0.204) 2.799 34.189 ( 9.916 -1.098 -1.718) 10.123 34.189 ( 9.916 1.098 -1.718) 10.123 ======================= Grid point 359 (194/195) ======================= q-point: (-0.18 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.459 -5.206 2.838) 5.947 1.285 ( 0.460 5.206 2.838) 5.947 1.618 ( 2.873 -2.709 5.704) 6.938 1.618 ( 2.873 2.709 5.704) 6.938 1.958 ( 3.168 -5.968 -1.864) 7.009 1.958 ( 3.168 5.968 -1.864) 7.009 2.210 ( 3.177 -5.836 3.624) 7.569 2.210 ( 3.177 5.836 3.624) 7.569 2.501 ( -9.557 -3.486 -1.812) 10.333 2.501 ( -9.557 3.486 -1.812) 10.333 2.786 ( 0.875 -1.298 -3.178) 3.543 2.786 ( 0.875 1.298 -3.178) 3.543 3.355 ( 1.830 -2.631 1.423) 3.507 3.355 ( 1.830 2.631 1.423) 3.507 3.522 ( 3.406 -3.336 0.826) 4.839 3.522 ( 3.406 3.336 0.826) 4.839 3.703 ( 1.690 -3.355 -1.342) 3.989 3.703 ( 1.690 3.355 -1.342) 3.989 10.009 ( -2.311 -0.627 -0.375) 2.424 10.009 ( -2.311 0.627 -0.375) 2.424 10.679 ( -6.297 -1.986 0.184) 6.606 10.679 ( -6.297 1.986 0.184) 6.606 14.264 ( -15.589 -5.214 2.621) 16.646 14.264 ( -15.589 5.214 2.621) 16.646 16.772 ( -4.960 -1.701 -0.466) 5.265 16.772 ( -4.960 1.701 -0.466) 5.265 31.662 ( 2.391 -0.803 0.013) 2.522 31.662 ( 2.391 0.803 0.013) 2.522 34.369 ( 9.509 -2.205 -2.346) 10.040 34.369 ( 9.509 2.205 -2.346) 10.040 ======================= Grid point 361 (195/195) ======================= q-point: (-0.09 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.10e-04 1.10e-04 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 4.628 -4.509 3.250) 7.232 1.353 ( 4.628 4.509 3.250) 7.232 1.640 ( -2.142 -1.153 0.127) 2.436 1.640 ( -2.142 1.153 0.127) 2.436 1.986 ( 2.505 -8.008 -1.581) 8.538 1.986 ( 2.505 8.008 -1.581) 8.538 2.270 ( -8.411 -8.937 -0.124) 12.273 2.270 ( -8.411 8.937 -0.124) 12.273 2.387 ( 5.167 -3.003 6.636) 8.930 2.387 ( 5.167 3.003 6.636) 8.930 2.781 ( 0.312 -1.808 -4.107) 4.499 2.781 ( 0.312 1.808 -4.107) 4.499 3.368 ( -0.207 -1.044 -0.179) 1.080 3.368 ( -0.207 1.044 -0.179) 1.080 3.608 ( 3.989 -2.668 1.184) 4.943 3.608 ( 3.989 2.668 1.184) 4.943 3.722 ( 0.674 -2.506 -1.041) 2.796 3.722 ( 0.674 2.506 -1.041) 2.796 9.975 ( -0.948 -0.991 -0.236) 1.392 9.975 ( -0.948 0.991 -0.236) 1.392 10.573 ( -4.427 -1.389 0.382) 4.655 10.573 ( -4.427 1.389 0.382) 4.655 14.025 ( -9.832 -4.161 2.568) 10.981 14.025 ( -9.832 4.161 2.568) 10.981 16.699 ( -2.486 -0.804 -0.302) 2.630 16.699 ( -2.486 0.804 -0.302) 2.630 31.699 ( 1.335 -1.040 -0.123) 1.697 31.699 ( 1.335 1.040 -0.123) 1.697 34.506 ( 5.825 -2.799 -2.487) 6.925 34.506 ( 5.825 2.799 -2.487) 6.925 =================== 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 3/18480 10.0 37.079 22.935 25.993 0.000 3.728 0.000 3/18480 20.0 9.908 6.707 6.753 0.000 1.401 0.000 3/18480 30.0 4.866 3.347 3.185 0.000 0.717 0.000 3/18480 40.0 3.172 2.204 2.018 0.000 0.476 0.000 3/18480 50.0 2.374 1.660 1.480 0.000 0.359 0.000 3/18480 60.0 1.924 1.344 1.176 0.000 0.290 0.000 3/18480 70.0 1.644 1.138 0.983 0.000 0.245 0.000 3/18480 80.0 1.460 0.995 0.849 0.000 0.213 0.000 3/18480 90.0 1.334 0.890 0.752 0.000 0.189 0.000 3/18480 100.0 1.245 0.811 0.680 0.000 0.171 0.000 3/18480 110.0 1.179 0.749 0.624 0.000 0.156 0.000 3/18480 120.0 1.128 0.700 0.579 0.000 0.144 0.000 3/18480 130.0 1.087 0.659 0.543 0.000 0.135 0.000 3/18480 140.0 1.053 0.626 0.513 0.000 0.127 0.000 3/18480 150.0 1.024 0.597 0.488 0.000 0.120 0.000 3/18480 160.0 0.997 0.573 0.466 0.000 0.113 0.000 3/18480 170.0 0.972 0.551 0.447 0.000 0.108 0.000 3/18480 180.0 0.949 0.532 0.430 0.000 0.103 0.000 3/18480 190.0 0.926 0.514 0.415 0.000 0.099 0.000 3/18480 200.0 0.905 0.499 0.401 0.000 0.095 0.000 3/18480 210.0 0.885 0.484 0.388 0.000 0.091 0.000 3/18480 220.0 0.865 0.471 0.376 0.000 0.088 0.000 3/18480 230.0 0.846 0.459 0.365 0.000 0.085 0.000 3/18480 240.0 0.828 0.448 0.354 0.000 0.082 0.000 3/18480 250.0 0.810 0.438 0.345 0.000 0.079 0.000 3/18480 260.0 0.793 0.429 0.336 0.000 0.076 0.000 3/18480 270.0 0.776 0.420 0.327 0.000 0.074 0.000 3/18480 280.0 0.761 0.412 0.319 0.000 0.072 0.000 3/18480 290.0 0.745 0.405 0.311 0.000 0.070 0.000 3/18480 300.0 0.730 0.398 0.304 0.000 0.068 0.000 3/18480 310.0 0.716 0.391 0.297 0.000 0.066 0.000 3/18480 320.0 0.702 0.385 0.290 0.000 0.064 0.000 3/18480 330.0 0.689 0.379 0.284 0.000 0.062 0.000 3/18480 340.0 0.676 0.374 0.278 0.000 0.061 0.000 3/18480 350.0 0.664 0.369 0.272 0.000 0.059 0.000 3/18480 360.0 0.652 0.364 0.267 0.000 0.058 0.000 3/18480 370.0 0.641 0.359 0.262 0.000 0.056 0.000 3/18480 380.0 0.630 0.354 0.257 0.000 0.055 0.000 3/18480 390.0 0.619 0.350 0.252 0.000 0.054 0.000 3/18480 400.0 0.608 0.346 0.247 0.000 0.052 0.000 3/18480 410.0 0.598 0.342 0.243 0.000 0.051 0.000 3/18480 420.0 0.589 0.338 0.238 0.000 0.050 0.000 3/18480 430.0 0.579 0.334 0.234 0.000 0.049 0.000 3/18480 440.0 0.570 0.330 0.230 0.000 0.048 0.000 3/18480 450.0 0.561 0.326 0.226 0.000 0.047 0.000 3/18480 460.0 0.553 0.323 0.223 0.000 0.046 0.000 3/18480 470.0 0.544 0.320 0.219 0.000 0.045 0.000 3/18480 480.0 0.536 0.316 0.216 0.000 0.044 0.000 3/18480 490.0 0.528 0.313 0.212 0.000 0.043 0.000 3/18480 500.0 0.521 0.310 0.209 0.000 0.043 0.000 3/18480 510.0 0.513 0.307 0.206 0.000 0.042 0.000 3/18480 520.0 0.506 0.304 0.203 0.000 0.041 0.000 3/18480 530.0 0.499 0.301 0.200 0.000 0.040 0.000 3/18480 540.0 0.492 0.298 0.197 0.000 0.040 0.000 3/18480 550.0 0.485 0.295 0.194 0.000 0.039 0.000 3/18480 560.0 0.479 0.292 0.191 0.000 0.038 0.000 3/18480 570.0 0.472 0.289 0.188 0.000 0.038 0.000 3/18480 580.0 0.466 0.286 0.186 0.000 0.037 0.000 3/18480 590.0 0.460 0.284 0.183 0.000 0.037 0.000 3/18480 600.0 0.454 0.281 0.181 0.000 0.036 0.000 3/18480 610.0 0.449 0.278 0.178 0.000 0.035 0.000 3/18480 620.0 0.443 0.276 0.176 0.000 0.035 0.000 3/18480 630.0 0.438 0.273 0.174 0.000 0.034 0.000 3/18480 640.0 0.432 0.271 0.172 0.000 0.034 0.000 3/18480 650.0 0.427 0.268 0.169 0.000 0.033 0.000 3/18480 660.0 0.422 0.266 0.167 0.000 0.033 0.000 3/18480 670.0 0.417 0.263 0.165 0.000 0.032 0.000 3/18480 680.0 0.412 0.261 0.163 0.000 0.032 0.000 3/18480 690.0 0.407 0.259 0.161 0.000 0.031 0.000 3/18480 700.0 0.403 0.256 0.159 0.000 0.031 0.000 3/18480 710.0 0.398 0.254 0.158 0.000 0.031 0.000 3/18480 720.0 0.393 0.252 0.156 0.000 0.030 0.000 3/18480 730.0 0.389 0.250 0.154 0.000 0.030 0.000 3/18480 740.0 0.385 0.248 0.152 0.000 0.029 0.000 3/18480 750.0 0.381 0.245 0.150 0.000 0.029 0.000 3/18480 760.0 0.377 0.243 0.149 0.000 0.029 0.000 3/18480 770.0 0.373 0.241 0.147 0.000 0.028 0.000 3/18480 780.0 0.369 0.239 0.146 0.000 0.028 0.000 3/18480 790.0 0.365 0.237 0.144 0.000 0.028 0.000 3/18480 800.0 0.361 0.235 0.142 0.000 0.027 0.000 3/18480 810.0 0.357 0.233 0.141 0.000 0.027 0.000 3/18480 820.0 0.354 0.231 0.139 0.000 0.027 0.000 3/18480 830.0 0.350 0.229 0.138 0.000 0.026 0.000 3/18480 840.0 0.347 0.228 0.137 0.000 0.026 0.000 3/18480 850.0 0.343 0.226 0.135 0.000 0.026 0.000 3/18480 860.0 0.340 0.224 0.134 0.000 0.025 0.000 3/18480 870.0 0.336 0.222 0.132 0.000 0.025 0.000 3/18480 880.0 0.333 0.220 0.131 0.000 0.025 0.000 3/18480 890.0 0.330 0.219 0.130 0.000 0.025 0.000 3/18480 900.0 0.327 0.217 0.129 0.000 0.024 0.000 3/18480 910.0 0.324 0.215 0.127 0.000 0.024 0.000 3/18480 920.0 0.321 0.214 0.126 0.000 0.024 0.000 3/18480 930.0 0.318 0.212 0.125 0.000 0.024 0.000 3/18480 940.0 0.315 0.210 0.124 0.000 0.023 0.000 3/18480 950.0 0.312 0.209 0.123 0.000 0.023 0.000 3/18480 960.0 0.309 0.207 0.121 0.000 0.023 0.000 3/18480 970.0 0.306 0.205 0.120 0.000 0.023 0.000 3/18480 980.0 0.304 0.204 0.119 0.000 0.022 0.000 3/18480 990.0 0.301 0.202 0.118 0.000 0.022 0.000 3/18480 1000.0 0.298 0.201 0.117 0.000 0.022 0.000 3/18480 Thermal conductivity related properties were written into "kappa-m1187.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:36:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|