----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:25:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.474780932854520 1.428815437768907 5.454633296666660 b -2.474780932854515 1.428815437768907 5.454633296666660 c 0.000000000000003 -2.857630875537819 5.454633296666660 Atomic positions (fractional): *1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 2 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 *3 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 4 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 *5 O 0.47032254388767 0.02967745611233 0.75000000000000 15.999 6 O 0.25000000000000 0.52967745611233 0.97032254388767 15.999 7 O 0.97032254388767 0.25000000000000 0.52967745611233 15.999 8 O 0.02967745611233 0.75000000000000 0.47032254388767 15.999 9 O 0.75000000000000 0.47032254388767 0.02967745611233 15.999 10 O 0.52967745611233 0.97032254388767 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.949561865709034 0.000000000000000 0.000000000000000 b -2.474780932854517 4.286446313306726 0.000000000000000 c 0.000000000000000 0.000000000000000 16.363899889999999 Atomic positions (fractional): *1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 1 2 Ho 0.33333333333333 0.66666666666667 0.16666666666667 164.930 > 2 3 Ho 0.66666666666667 0.33333333333333 0.33333333333333 164.930 > 1 4 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 2 5 Ho 0.33333333333333 0.66666666666667 0.66666666666667 164.930 > 1 6 Ho 0.66666666666667 0.33333333333333 0.83333333333333 164.930 > 2 *7 B 0.66666666666667 0.33333333333333 0.08333333333333 10.811 > 3 8 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 4 9 B 0.33333333333333 0.66666666666667 0.41666666666667 10.811 > 3 10 B 0.66666666666667 0.33333333333333 0.58333333333333 10.811 > 4 11 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 3 12 B 0.33333333333333 0.66666666666667 0.91666666666667 10.811 > 4 *13 O 0.38698921055434 0.33333333333333 0.08333333333333 15.999 > 5 14 O 0.00000000000000 0.27967745611233 0.25000000000000 15.999 > 6 15 O 0.72032254388767 0.72032254388767 0.25000000000000 15.999 > 7 16 O 0.94634412277900 0.61301078944566 0.08333333333333 15.999 > 8 17 O 0.66666666666667 0.05365587722100 0.08333333333333 15.999 > 9 18 O 0.27967745611233 0.00000000000000 0.25000000000000 15.999 > 10 19 O 0.05365587722100 0.66666666666667 0.41666666666667 15.999 > 5 20 O 0.66666666666667 0.61301078944566 0.58333333333333 15.999 > 6 21 O 0.38698921055434 0.05365587722100 0.58333333333333 15.999 > 7 22 O 0.61301078944566 0.94634412277900 0.41666666666667 15.999 > 8 23 O 0.33333333333333 0.38698921055434 0.41666666666667 15.999 > 9 24 O 0.94634412277900 0.33333333333333 0.58333333333333 15.999 > 10 25 O 0.72032254388767 0.00000000000000 0.75000000000000 15.999 > 5 26 O 0.33333333333333 0.94634412277900 0.91666666666667 15.999 > 6 27 O 0.05365587722100 0.38698921055434 0.91666666666667 15.999 > 7 28 O 0.27967745611233 0.27967745611233 0.75000000000000 15.999 > 8 29 O 0.00000000000000 0.72032254388767 0.75000000000000 15.999 > 9 30 O 0.61301078944566 0.66666666666667 0.91666666666667 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.899123731418069 0.000000000000000 0.000000000000000 b -4.949561865709034 8.572892626613452 0.000000000000000 c 0.000000000000000 0.000000000000000 16.363899889999999 Atomic positions (fractional): *1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 1 2 Ho 0.50000000000000 0.00000000000000 0.00000000000000 164.930 > 1 3 Ho 0.00000000000000 0.50000000000000 0.00000000000000 164.930 > 1 4 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 1 5 Ho 0.16666666666667 0.33333333333333 0.16666666666667 164.930 > 2 6 Ho 0.66666666666667 0.33333333333333 0.16666666666667 164.930 > 2 7 Ho 0.16666666666667 0.83333333333333 0.16666666666667 164.930 > 2 8 Ho 0.66666666666667 0.83333333333333 0.16666666666667 164.930 > 2 9 Ho 0.33333333333333 0.16666666666667 0.33333333333333 164.930 > 1 10 Ho 0.83333333333333 0.16666666666667 0.33333333333333 164.930 > 1 11 Ho 0.33333333333333 0.66666666666667 0.33333333333333 164.930 > 1 12 Ho 0.83333333333333 0.66666666666667 0.33333333333333 164.930 > 1 13 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 2 14 Ho 0.50000000000000 0.00000000000000 0.50000000000000 164.930 > 2 15 Ho 0.00000000000000 0.50000000000000 0.50000000000000 164.930 > 2 16 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 2 17 Ho 0.16666666666667 0.33333333333333 0.66666666666667 164.930 > 1 18 Ho 0.66666666666667 0.33333333333333 0.66666666666667 164.930 > 1 19 Ho 0.16666666666667 0.83333333333333 0.66666666666667 164.930 > 1 20 Ho 0.66666666666667 0.83333333333333 0.66666666666667 164.930 > 1 21 Ho 0.33333333333333 0.16666666666667 0.83333333333333 164.930 > 2 22 Ho 0.83333333333333 0.16666666666667 0.83333333333333 164.930 > 2 23 Ho 0.33333333333333 0.66666666666667 0.83333333333333 164.930 > 2 24 Ho 0.83333333333333 0.66666666666667 0.83333333333333 164.930 > 2 *25 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 3 26 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 3 27 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 3 28 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 3 29 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 4 30 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 4 31 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 4 32 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 4 33 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 3 34 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 3 35 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 3 36 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 3 37 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 4 38 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 4 39 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 4 40 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 4 41 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 3 42 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 3 43 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 3 44 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 3 45 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 4 46 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 4 47 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 4 48 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 4 *49 O 0.19349460527717 0.16666666666667 0.08333333333333 15.999 > 5 50 O 0.69349460527717 0.16666666666667 0.08333333333333 15.999 > 5 51 O 0.19349460527717 0.66666666666667 0.08333333333333 15.999 > 5 52 O 0.69349460527717 0.66666666666667 0.08333333333333 15.999 > 5 53 O 0.00000000000000 0.13983872805617 0.25000000000000 15.999 > 6 54 O 0.50000000000000 0.13983872805617 0.25000000000000 15.999 > 6 55 O 0.00000000000000 0.63983872805617 0.25000000000000 15.999 > 6 56 O 0.50000000000000 0.63983872805617 0.25000000000000 15.999 > 6 57 O 0.36016127194383 0.36016127194383 0.25000000000000 15.999 > 7 58 O 0.86016127194383 0.36016127194383 0.25000000000000 15.999 > 7 59 O 0.36016127194383 0.86016127194383 0.25000000000000 15.999 > 7 60 O 0.86016127194383 0.86016127194383 0.25000000000000 15.999 > 7 61 O 0.47317206138950 0.30650539472283 0.08333333333333 15.999 > 8 62 O 0.97317206138950 0.30650539472283 0.08333333333333 15.999 > 8 63 O 0.47317206138950 0.80650539472283 0.08333333333333 15.999 > 8 64 O 0.97317206138950 0.80650539472283 0.08333333333333 15.999 > 8 65 O 0.33333333333333 0.02682793861050 0.08333333333333 15.999 > 9 66 O 0.83333333333333 0.02682793861050 0.08333333333333 15.999 > 9 67 O 0.33333333333333 0.52682793861050 0.08333333333333 15.999 > 9 68 O 0.83333333333333 0.52682793861050 0.08333333333333 15.999 > 9 69 O 0.13983872805617 0.00000000000000 0.25000000000000 15.999 > 10 70 O 0.63983872805617 0.00000000000000 0.25000000000000 15.999 > 10 71 O 0.13983872805617 0.50000000000000 0.25000000000000 15.999 > 10 72 O 0.63983872805617 0.50000000000000 0.25000000000000 15.999 > 10 73 O 0.02682793861050 0.33333333333333 0.41666666666667 15.999 > 5 74 O 0.52682793861050 0.33333333333333 0.41666666666667 15.999 > 5 75 O 0.02682793861050 0.83333333333333 0.41666666666667 15.999 > 5 76 O 0.52682793861050 0.83333333333333 0.41666666666667 15.999 > 5 77 O 0.33333333333333 0.30650539472283 0.58333333333333 15.999 > 6 78 O 0.83333333333333 0.30650539472283 0.58333333333333 15.999 > 6 79 O 0.33333333333333 0.80650539472283 0.58333333333333 15.999 > 6 80 O 0.83333333333333 0.80650539472283 0.58333333333333 15.999 > 6 81 O 0.19349460527717 0.02682793861050 0.58333333333333 15.999 > 7 82 O 0.69349460527717 0.02682793861050 0.58333333333333 15.999 > 7 83 O 0.19349460527717 0.52682793861050 0.58333333333333 15.999 > 7 84 O 0.69349460527717 0.52682793861050 0.58333333333333 15.999 > 7 85 O 0.30650539472283 0.47317206138950 0.41666666666667 15.999 > 8 86 O 0.80650539472283 0.47317206138950 0.41666666666667 15.999 > 8 87 O 0.30650539472283 0.97317206138950 0.41666666666667 15.999 > 8 88 O 0.80650539472283 0.97317206138950 0.41666666666667 15.999 > 8 89 O 0.16666666666667 0.19349460527717 0.41666666666667 15.999 > 9 90 O 0.66666666666667 0.19349460527717 0.41666666666667 15.999 > 9 91 O 0.16666666666667 0.69349460527717 0.41666666666667 15.999 > 9 92 O 0.66666666666667 0.69349460527717 0.41666666666667 15.999 > 9 93 O 0.47317206138950 0.16666666666667 0.58333333333333 15.999 > 10 94 O 0.97317206138950 0.16666666666667 0.58333333333333 15.999 > 10 95 O 0.47317206138950 0.66666666666667 0.58333333333333 15.999 > 10 96 O 0.97317206138950 0.66666666666667 0.58333333333333 15.999 > 10 97 O 0.36016127194383 0.00000000000000 0.75000000000000 15.999 > 5 98 O 0.86016127194383 0.00000000000000 0.75000000000000 15.999 > 5 99 O 0.36016127194383 0.50000000000000 0.75000000000000 15.999 > 5 100 O 0.86016127194383 0.50000000000000 0.75000000000000 15.999 > 5 101 O 0.16666666666667 0.47317206138950 0.91666666666667 15.999 > 6 102 O 0.66666666666667 0.47317206138950 0.91666666666667 15.999 > 6 103 O 0.16666666666667 0.97317206138950 0.91666666666667 15.999 > 6 104 O 0.66666666666667 0.97317206138950 0.91666666666667 15.999 > 6 105 O 0.02682793861050 0.19349460527717 0.91666666666667 15.999 > 7 106 O 0.52682793861050 0.19349460527717 0.91666666666667 15.999 > 7 107 O 0.02682793861050 0.69349460527717 0.91666666666667 15.999 > 7 108 O 0.52682793861050 0.69349460527717 0.91666666666667 15.999 > 7 109 O 0.13983872805617 0.13983872805617 0.75000000000000 15.999 > 8 110 O 0.63983872805617 0.13983872805617 0.75000000000000 15.999 > 8 111 O 0.13983872805617 0.63983872805617 0.75000000000000 15.999 > 8 112 O 0.63983872805617 0.63983872805617 0.75000000000000 15.999 > 8 113 O 0.00000000000000 0.36016127194383 0.75000000000000 15.999 > 9 114 O 0.50000000000000 0.36016127194383 0.75000000000000 15.999 > 9 115 O 0.00000000000000 0.86016127194383 0.75000000000000 15.999 > 9 116 O 0.50000000000000 0.86016127194383 0.75000000000000 15.999 > 9 117 O 0.30650539472283 0.33333333333333 0.91666666666667 15.999 > 10 118 O 0.80650539472283 0.33333333333333 0.91666666666667 15.999 > 10 119 O 0.30650539472283 0.83333333333333 0.91666666666667 15.999 > 10 120 O 0.80650539472283 0.83333333333333 0.91666666666667 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5578643 -0.0000000 0.0000000 0.0000000 3.5578643 0.0000000 0.0000000 0.0000000 3.2220514 -------------------------- Born effective charges -------------------------- 1 Ho 3.9498426 0.1074787 0.0000000 -0.1074787 3.9498426 -0.0000000 0.0000000 -0.0000000 4.0869202 2 Ho 3.9498426 -0.1074787 0.0000000 0.1074787 3.9498426 -0.0000000 0.0000000 -0.0000000 4.0869202 3 B 2.9635390 0.0000000 0.0000000 0.0000000 2.9635390 -0.0000000 0.0000000 -0.0000000 0.6627336 4 B 2.9635390 0.0000000 0.0000000 0.0000000 2.9635390 -0.0000000 0.0000000 -0.0000000 0.6627336 5 O -2.7505066 0.0000000 0.0000000 0.0000000 -1.8584145 -0.5847088 0.0000000 -0.5837686 -1.5832180 6 O -2.0814375 0.3862872 0.5063727 0.3862872 -2.5274835 0.2923544 0.5055584 0.2918843 -1.5832180 7 O -2.0814375 -0.3862872 -0.5063727 -0.3862872 -2.5274835 0.2923544 -0.5055584 0.2918843 -1.5832180 8 O -2.0814375 -0.3862872 -0.5063727 -0.3862872 -2.5274835 0.2923544 -0.5055584 0.2918843 -1.5832180 9 O -2.0814375 0.3862872 0.5063727 0.3862872 -2.5274835 0.2923544 0.5055584 0.2918843 -1.5832180 10 O -2.7505066 0.0000000 0.0000000 0.0000000 -1.8584145 -0.5847088 0.0000000 -0.5837686 -1.5832180 ---------------------------------------------------------------------------- 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: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 265 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 160 - Time: 0.444 Solver_block: 160 / 160 - Time: 0.302 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.761 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 265 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:25:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:25:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.474780932854520 1.428815437768907 5.454633296666660 b -2.474780932854515 1.428815437768907 5.454633296666660 c 0.000000000000003 -2.857630875537819 5.454633296666660 Atomic positions (fractional): 1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 2 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 3 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 4 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 5 O 0.47032254388767 0.02967745611233 0.75000000000000 15.999 6 O 0.25000000000000 0.52967745611233 0.97032254388767 15.999 7 O 0.97032254388767 0.25000000000000 0.52967745611233 15.999 8 O 0.02967745611233 0.75000000000000 0.47032254388767 15.999 9 O 0.75000000000000 0.47032254388767 0.02967745611233 15.999 10 O 0.52967745611233 0.97032254388767 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.899123731418069 0.000000000000000 0.000000000000000 b -4.949561865709034 8.572892626613452 0.000000000000000 c 0.000000000000000 0.000000000000000 16.363899889999999 Atomic positions (fractional): 1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 1 2 Ho 0.50000000000000 0.00000000000000 0.00000000000000 164.930 > 1 3 Ho 0.00000000000000 0.50000000000000 0.00000000000000 164.930 > 1 4 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 1 5 Ho 0.16666666666667 0.33333333333333 0.16666666666667 164.930 > 5 6 Ho 0.66666666666667 0.33333333333333 0.16666666666667 164.930 > 5 7 Ho 0.16666666666667 0.83333333333333 0.16666666666667 164.930 > 5 8 Ho 0.66666666666667 0.83333333333333 0.16666666666667 164.930 > 5 9 Ho 0.33333333333333 0.16666666666667 0.33333333333333 164.930 > 1 10 Ho 0.83333333333333 0.16666666666667 0.33333333333333 164.930 > 1 11 Ho 0.33333333333333 0.66666666666667 0.33333333333333 164.930 > 1 12 Ho 0.83333333333333 0.66666666666667 0.33333333333333 164.930 > 1 13 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 5 14 Ho 0.50000000000000 0.00000000000000 0.50000000000000 164.930 > 5 15 Ho 0.00000000000000 0.50000000000000 0.50000000000000 164.930 > 5 16 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 5 17 Ho 0.16666666666667 0.33333333333333 0.66666666666667 164.930 > 1 18 Ho 0.66666666666667 0.33333333333333 0.66666666666667 164.930 > 1 19 Ho 0.16666666666667 0.83333333333333 0.66666666666667 164.930 > 1 20 Ho 0.66666666666667 0.83333333333333 0.66666666666667 164.930 > 1 21 Ho 0.33333333333333 0.16666666666667 0.83333333333333 164.930 > 5 22 Ho 0.83333333333333 0.16666666666667 0.83333333333333 164.930 > 5 23 Ho 0.33333333333333 0.66666666666667 0.83333333333333 164.930 > 5 24 Ho 0.83333333333333 0.66666666666667 0.83333333333333 164.930 > 5 25 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 25 26 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 25 27 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 25 28 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 25 29 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 29 30 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 29 31 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 29 32 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 29 33 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 25 34 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 25 35 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 25 36 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 25 37 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 29 38 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 29 39 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 29 40 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 29 41 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 25 42 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 25 43 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 25 44 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 25 45 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 29 46 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 29 47 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 29 48 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 29 49 O 0.19349460527717 0.16666666666667 0.08333333333333 15.999 > 49 50 O 0.69349460527717 0.16666666666667 0.08333333333333 15.999 > 49 51 O 0.19349460527717 0.66666666666667 0.08333333333333 15.999 > 49 52 O 0.69349460527717 0.66666666666667 0.08333333333333 15.999 > 49 53 O 0.00000000000000 0.13983872805617 0.25000000000000 15.999 > 53 54 O 0.50000000000000 0.13983872805617 0.25000000000000 15.999 > 53 55 O 0.00000000000000 0.63983872805617 0.25000000000000 15.999 > 53 56 O 0.50000000000000 0.63983872805617 0.25000000000000 15.999 > 53 57 O 0.36016127194383 0.36016127194383 0.25000000000000 15.999 > 57 58 O 0.86016127194383 0.36016127194383 0.25000000000000 15.999 > 57 59 O 0.36016127194383 0.86016127194383 0.25000000000000 15.999 > 57 60 O 0.86016127194383 0.86016127194383 0.25000000000000 15.999 > 57 61 O 0.47317206138950 0.30650539472283 0.08333333333333 15.999 > 61 62 O 0.97317206138950 0.30650539472283 0.08333333333333 15.999 > 61 63 O 0.47317206138950 0.80650539472283 0.08333333333333 15.999 > 61 64 O 0.97317206138950 0.80650539472283 0.08333333333333 15.999 > 61 65 O 0.33333333333333 0.02682793861050 0.08333333333333 15.999 > 65 66 O 0.83333333333333 0.02682793861050 0.08333333333333 15.999 > 65 67 O 0.33333333333333 0.52682793861050 0.08333333333333 15.999 > 65 68 O 0.83333333333333 0.52682793861050 0.08333333333333 15.999 > 65 69 O 0.13983872805617 0.00000000000000 0.25000000000000 15.999 > 69 70 O 0.63983872805617 0.00000000000000 0.25000000000000 15.999 > 69 71 O 0.13983872805617 0.50000000000000 0.25000000000000 15.999 > 69 72 O 0.63983872805617 0.50000000000000 0.25000000000000 15.999 > 69 73 O 0.02682793861050 0.33333333333333 0.41666666666667 15.999 > 49 74 O 0.52682793861050 0.33333333333333 0.41666666666667 15.999 > 49 75 O 0.02682793861050 0.83333333333333 0.41666666666667 15.999 > 49 76 O 0.52682793861050 0.83333333333333 0.41666666666667 15.999 > 49 77 O 0.33333333333333 0.30650539472283 0.58333333333333 15.999 > 53 78 O 0.83333333333333 0.30650539472283 0.58333333333333 15.999 > 53 79 O 0.33333333333333 0.80650539472283 0.58333333333333 15.999 > 53 80 O 0.83333333333333 0.80650539472283 0.58333333333333 15.999 > 53 81 O 0.19349460527717 0.02682793861050 0.58333333333333 15.999 > 57 82 O 0.69349460527717 0.02682793861050 0.58333333333333 15.999 > 57 83 O 0.19349460527717 0.52682793861050 0.58333333333333 15.999 > 57 84 O 0.69349460527717 0.52682793861050 0.58333333333333 15.999 > 57 85 O 0.30650539472283 0.47317206138950 0.41666666666667 15.999 > 61 86 O 0.80650539472283 0.47317206138950 0.41666666666667 15.999 > 61 87 O 0.30650539472283 0.97317206138950 0.41666666666667 15.999 > 61 88 O 0.80650539472283 0.97317206138950 0.41666666666667 15.999 > 61 89 O 0.16666666666667 0.19349460527717 0.41666666666667 15.999 > 65 90 O 0.66666666666667 0.19349460527717 0.41666666666667 15.999 > 65 91 O 0.16666666666667 0.69349460527717 0.41666666666667 15.999 > 65 92 O 0.66666666666667 0.69349460527717 0.41666666666667 15.999 > 65 93 O 0.47317206138950 0.16666666666667 0.58333333333333 15.999 > 69 94 O 0.97317206138950 0.16666666666667 0.58333333333333 15.999 > 69 95 O 0.47317206138950 0.66666666666667 0.58333333333333 15.999 > 69 96 O 0.97317206138950 0.66666666666667 0.58333333333333 15.999 > 69 97 O 0.36016127194383 0.00000000000000 0.75000000000000 15.999 > 49 98 O 0.86016127194383 0.00000000000000 0.75000000000000 15.999 > 49 99 O 0.36016127194383 0.50000000000000 0.75000000000000 15.999 > 49 100 O 0.86016127194383 0.50000000000000 0.75000000000000 15.999 > 49 101 O 0.16666666666667 0.47317206138950 0.91666666666667 15.999 > 53 102 O 0.66666666666667 0.47317206138950 0.91666666666667 15.999 > 53 103 O 0.16666666666667 0.97317206138950 0.91666666666667 15.999 > 53 104 O 0.66666666666667 0.97317206138950 0.91666666666667 15.999 > 53 105 O 0.02682793861050 0.19349460527717 0.91666666666667 15.999 > 57 106 O 0.52682793861050 0.19349460527717 0.91666666666667 15.999 > 57 107 O 0.02682793861050 0.69349460527717 0.91666666666667 15.999 > 57 108 O 0.52682793861050 0.69349460527717 0.91666666666667 15.999 > 57 109 O 0.13983872805617 0.13983872805617 0.75000000000000 15.999 > 61 110 O 0.63983872805617 0.13983872805617 0.75000000000000 15.999 > 61 111 O 0.13983872805617 0.63983872805617 0.75000000000000 15.999 > 61 112 O 0.63983872805617 0.63983872805617 0.75000000000000 15.999 > 61 113 O 0.00000000000000 0.36016127194383 0.75000000000000 15.999 > 65 114 O 0.50000000000000 0.36016127194383 0.75000000000000 15.999 > 65 115 O 0.00000000000000 0.86016127194383 0.75000000000000 15.999 > 65 116 O 0.50000000000000 0.86016127194383 0.75000000000000 15.999 > 65 117 O 0.30650539472283 0.33333333333333 0.91666666666667 15.999 > 69 118 O 0.80650539472283 0.33333333333333 0.91666666666667 15.999 > 69 119 O 0.30650539472283 0.83333333333333 0.91666666666667 15.999 > 69 120 O 0.80650539472283 0.83333333333333 0.91666666666667 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5578643 -0.0000000 0.0000000 0.0000000 3.5578643 0.0000000 0.0000000 0.0000000 3.2220514 -------------------------- Born effective charges -------------------------- 1 Ho 3.9498426 0.1074787 0.0000000 -0.1074787 3.9498426 -0.0000000 0.0000000 -0.0000000 4.0869202 2 Ho 3.9498426 -0.1074787 0.0000000 0.1074787 3.9498426 -0.0000000 0.0000000 -0.0000000 4.0869202 3 B 2.9635390 0.0000000 0.0000000 0.0000000 2.9635390 -0.0000000 0.0000000 -0.0000000 0.6627336 4 B 2.9635390 0.0000000 0.0000000 0.0000000 2.9635390 -0.0000000 0.0000000 -0.0000000 0.6627336 5 O -2.7505066 0.0000000 0.0000000 0.0000000 -1.8584145 -0.5847088 0.0000000 -0.5837686 -1.5832180 6 O -2.0814375 0.3862872 0.5063727 0.3862872 -2.5274835 0.2923544 0.5055584 0.2918843 -1.5832180 7 O -2.0814375 -0.3862872 -0.5063727 -0.3862872 -2.5274835 0.2923544 -0.5055584 0.2918843 -1.5832180 8 O -2.0814375 -0.3862872 -0.5063727 -0.3862872 -2.5274835 0.2923544 -0.5055584 0.2918843 -1.5832180 9 O -2.0814375 0.3862872 0.5063727 0.3862872 -2.5274835 0.2923544 0.5055584 0.2918843 -1.5832180 10 O -2.7505066 0.0000000 0.0000000 0.0000000 -1.8584145 -0.5847088 0.0000000 -0.5837686 -1.5832180 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (yx) -0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:25:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:25:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.474780932854520 1.428815437768907 5.454633296666660 b -2.474780932854515 1.428815437768907 5.454633296666660 c 0.000000000000003 -2.857630875537819 5.454633296666660 Atomic positions (fractional): 1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 2 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 3 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 4 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 5 O 0.47032254388767 0.02967745611233 0.75000000000000 15.999 6 O 0.25000000000000 0.52967745611233 0.97032254388767 15.999 7 O 0.97032254388767 0.25000000000000 0.52967745611233 15.999 8 O 0.02967745611233 0.75000000000000 0.47032254388767 15.999 9 O 0.75000000000000 0.47032254388767 0.02967745611233 15.999 10 O 0.52967745611233 0.97032254388767 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.899123731418069 0.000000000000000 0.000000000000000 b -4.949561865709034 8.572892626613452 0.000000000000000 c 0.000000000000000 0.000000000000000 16.363899889999999 Atomic positions (fractional): 1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 1 2 Ho 0.50000000000000 0.00000000000000 0.00000000000000 164.930 > 1 3 Ho 0.00000000000000 0.50000000000000 0.00000000000000 164.930 > 1 4 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 1 5 Ho 0.16666666666667 0.33333333333333 0.16666666666667 164.930 > 5 6 Ho 0.66666666666667 0.33333333333333 0.16666666666667 164.930 > 5 7 Ho 0.16666666666667 0.83333333333333 0.16666666666667 164.930 > 5 8 Ho 0.66666666666667 0.83333333333333 0.16666666666667 164.930 > 5 9 Ho 0.33333333333333 0.16666666666667 0.33333333333333 164.930 > 1 10 Ho 0.83333333333333 0.16666666666667 0.33333333333333 164.930 > 1 11 Ho 0.33333333333333 0.66666666666667 0.33333333333333 164.930 > 1 12 Ho 0.83333333333333 0.66666666666667 0.33333333333333 164.930 > 1 13 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 5 14 Ho 0.50000000000000 0.00000000000000 0.50000000000000 164.930 > 5 15 Ho 0.00000000000000 0.50000000000000 0.50000000000000 164.930 > 5 16 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 5 17 Ho 0.16666666666667 0.33333333333333 0.66666666666667 164.930 > 1 18 Ho 0.66666666666667 0.33333333333333 0.66666666666667 164.930 > 1 19 Ho 0.16666666666667 0.83333333333333 0.66666666666667 164.930 > 1 20 Ho 0.66666666666667 0.83333333333333 0.66666666666667 164.930 > 1 21 Ho 0.33333333333333 0.16666666666667 0.83333333333333 164.930 > 5 22 Ho 0.83333333333333 0.16666666666667 0.83333333333333 164.930 > 5 23 Ho 0.33333333333333 0.66666666666667 0.83333333333333 164.930 > 5 24 Ho 0.83333333333333 0.66666666666667 0.83333333333333 164.930 > 5 25 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 25 26 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 25 27 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 25 28 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 25 29 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 29 30 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 29 31 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 29 32 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 29 33 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 25 34 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 25 35 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 25 36 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 25 37 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 29 38 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 29 39 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 29 40 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 29 41 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 25 42 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 25 43 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 25 44 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 25 45 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 29 46 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 29 47 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 29 48 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 29 49 O 0.19349460527717 0.16666666666667 0.08333333333333 15.999 > 49 50 O 0.69349460527717 0.16666666666667 0.08333333333333 15.999 > 49 51 O 0.19349460527717 0.66666666666667 0.08333333333333 15.999 > 49 52 O 0.69349460527717 0.66666666666667 0.08333333333333 15.999 > 49 53 O 0.00000000000000 0.13983872805617 0.25000000000000 15.999 > 53 54 O 0.50000000000000 0.13983872805617 0.25000000000000 15.999 > 53 55 O 0.00000000000000 0.63983872805617 0.25000000000000 15.999 > 53 56 O 0.50000000000000 0.63983872805617 0.25000000000000 15.999 > 53 57 O 0.36016127194383 0.36016127194383 0.25000000000000 15.999 > 57 58 O 0.86016127194383 0.36016127194383 0.25000000000000 15.999 > 57 59 O 0.36016127194383 0.86016127194383 0.25000000000000 15.999 > 57 60 O 0.86016127194383 0.86016127194383 0.25000000000000 15.999 > 57 61 O 0.47317206138950 0.30650539472283 0.08333333333333 15.999 > 61 62 O 0.97317206138950 0.30650539472283 0.08333333333333 15.999 > 61 63 O 0.47317206138950 0.80650539472283 0.08333333333333 15.999 > 61 64 O 0.97317206138950 0.80650539472283 0.08333333333333 15.999 > 61 65 O 0.33333333333333 0.02682793861050 0.08333333333333 15.999 > 65 66 O 0.83333333333333 0.02682793861050 0.08333333333333 15.999 > 65 67 O 0.33333333333333 0.52682793861050 0.08333333333333 15.999 > 65 68 O 0.83333333333333 0.52682793861050 0.08333333333333 15.999 > 65 69 O 0.13983872805617 0.00000000000000 0.25000000000000 15.999 > 69 70 O 0.63983872805617 0.00000000000000 0.25000000000000 15.999 > 69 71 O 0.13983872805617 0.50000000000000 0.25000000000000 15.999 > 69 72 O 0.63983872805617 0.50000000000000 0.25000000000000 15.999 > 69 73 O 0.02682793861050 0.33333333333333 0.41666666666667 15.999 > 49 74 O 0.52682793861050 0.33333333333333 0.41666666666667 15.999 > 49 75 O 0.02682793861050 0.83333333333333 0.41666666666667 15.999 > 49 76 O 0.52682793861050 0.83333333333333 0.41666666666667 15.999 > 49 77 O 0.33333333333333 0.30650539472283 0.58333333333333 15.999 > 53 78 O 0.83333333333333 0.30650539472283 0.58333333333333 15.999 > 53 79 O 0.33333333333333 0.80650539472283 0.58333333333333 15.999 > 53 80 O 0.83333333333333 0.80650539472283 0.58333333333333 15.999 > 53 81 O 0.19349460527717 0.02682793861050 0.58333333333333 15.999 > 57 82 O 0.69349460527717 0.02682793861050 0.58333333333333 15.999 > 57 83 O 0.19349460527717 0.52682793861050 0.58333333333333 15.999 > 57 84 O 0.69349460527717 0.52682793861050 0.58333333333333 15.999 > 57 85 O 0.30650539472283 0.47317206138950 0.41666666666667 15.999 > 61 86 O 0.80650539472283 0.47317206138950 0.41666666666667 15.999 > 61 87 O 0.30650539472283 0.97317206138950 0.41666666666667 15.999 > 61 88 O 0.80650539472283 0.97317206138950 0.41666666666667 15.999 > 61 89 O 0.16666666666667 0.19349460527717 0.41666666666667 15.999 > 65 90 O 0.66666666666667 0.19349460527717 0.41666666666667 15.999 > 65 91 O 0.16666666666667 0.69349460527717 0.41666666666667 15.999 > 65 92 O 0.66666666666667 0.69349460527717 0.41666666666667 15.999 > 65 93 O 0.47317206138950 0.16666666666667 0.58333333333333 15.999 > 69 94 O 0.97317206138950 0.16666666666667 0.58333333333333 15.999 > 69 95 O 0.47317206138950 0.66666666666667 0.58333333333333 15.999 > 69 96 O 0.97317206138950 0.66666666666667 0.58333333333333 15.999 > 69 97 O 0.36016127194383 0.00000000000000 0.75000000000000 15.999 > 49 98 O 0.86016127194383 0.00000000000000 0.75000000000000 15.999 > 49 99 O 0.36016127194383 0.50000000000000 0.75000000000000 15.999 > 49 100 O 0.86016127194383 0.50000000000000 0.75000000000000 15.999 > 49 101 O 0.16666666666667 0.47317206138950 0.91666666666667 15.999 > 53 102 O 0.66666666666667 0.47317206138950 0.91666666666667 15.999 > 53 103 O 0.16666666666667 0.97317206138950 0.91666666666667 15.999 > 53 104 O 0.66666666666667 0.97317206138950 0.91666666666667 15.999 > 53 105 O 0.02682793861050 0.19349460527717 0.91666666666667 15.999 > 57 106 O 0.52682793861050 0.19349460527717 0.91666666666667 15.999 > 57 107 O 0.02682793861050 0.69349460527717 0.91666666666667 15.999 > 57 108 O 0.52682793861050 0.69349460527717 0.91666666666667 15.999 > 57 109 O 0.13983872805617 0.13983872805617 0.75000000000000 15.999 > 61 110 O 0.63983872805617 0.13983872805617 0.75000000000000 15.999 > 61 111 O 0.13983872805617 0.63983872805617 0.75000000000000 15.999 > 61 112 O 0.63983872805617 0.63983872805617 0.75000000000000 15.999 > 61 113 O 0.00000000000000 0.36016127194383 0.75000000000000 15.999 > 65 114 O 0.50000000000000 0.36016127194383 0.75000000000000 15.999 > 65 115 O 0.00000000000000 0.86016127194383 0.75000000000000 15.999 > 65 116 O 0.50000000000000 0.86016127194383 0.75000000000000 15.999 > 65 117 O 0.30650539472283 0.33333333333333 0.91666666666667 15.999 > 69 118 O 0.80650539472283 0.33333333333333 0.91666666666667 15.999 > 69 119 O 0.30650539472283 0.83333333333333 0.91666666666667 15.999 > 69 120 O 0.80650539472283 0.83333333333333 0.91666666666667 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5578643 -0.0000000 0.0000000 0.0000000 3.5578643 0.0000000 0.0000000 0.0000000 3.2220514 -------------------------- Born effective charges -------------------------- 1 Ho 3.9498426 0.1074787 0.0000000 -0.1074787 3.9498426 -0.0000000 0.0000000 -0.0000000 4.0869202 2 Ho 3.9498426 -0.1074787 0.0000000 0.1074787 3.9498426 -0.0000000 0.0000000 -0.0000000 4.0869202 3 B 2.9635390 0.0000000 0.0000000 0.0000000 2.9635390 -0.0000000 0.0000000 -0.0000000 0.6627336 4 B 2.9635390 0.0000000 0.0000000 0.0000000 2.9635390 -0.0000000 0.0000000 -0.0000000 0.6627336 5 O -2.7505066 0.0000000 0.0000000 0.0000000 -1.8584145 -0.5847088 0.0000000 -0.5837686 -1.5832180 6 O -2.0814375 0.3862872 0.5063727 0.3862872 -2.5274835 0.2923544 0.5055584 0.2918843 -1.5832180 7 O -2.0814375 -0.3862872 -0.5063727 -0.3862872 -2.5274835 0.2923544 -0.5055584 0.2918843 -1.5832180 8 O -2.0814375 -0.3862872 -0.5063727 -0.3862872 -2.5274835 0.2923544 -0.5055584 0.2918843 -1.5832180 9 O -2.0814375 0.3862872 0.5063727 0.3862872 -2.5274835 0.2923544 0.5055584 0.2918843 -1.5832180 10 O -2.7505066 0.0000000 0.0000000 0.0000000 -1.8584145 -0.5847088 0.0000000 -0.5837686 -1.5832180 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] 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: 0.85, Number of G-points: 309, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 5.802 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 7.301 ( 0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 0.000) 0.000 9.148 ( 0.000 0.000 0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 13.595 ( 0.000 0.000 0.000) 0.000 17.677 ( 0.000 0.000 0.000) 0.000 17.677 ( 0.000 0.000 0.000) 0.000 18.185 ( 0.000 0.000 0.000) 0.000 18.185 ( 0.000 0.000 0.000) 0.000 20.609 ( 0.000 0.000 0.000) 0.000 21.483 ( 0.000 0.000 0.000) 0.000 27.320 ( 0.000 0.000 0.000) 0.000 27.518 ( 0.000 0.000 0.000) 0.000 36.043 ( 0.000 0.000 0.000) 0.000 36.043 ( 0.000 0.000 0.000) 0.000 36.925 ( 0.000 0.000 0.000) 0.000 36.925 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 24.459 14.122 2.976) 28.400 0.640 ( 27.923 16.121 -0.940) 32.256 1.315 ( 52.923 30.555 15.413) 63.024 2.593 ( 0.835 0.482 -3.169) 3.313 2.996 ( 6.853 3.956 -6.344) 10.142 4.122 ( -5.449 -3.146 16.282) 17.456 4.805 ( -4.499 -2.598 0.925) 5.277 5.645 ( 1.451 0.837 2.084) 2.674 5.704 ( -8.107 -4.680 -1.483) 9.477 6.293 ( 5.243 3.027 -1.616) 6.266 6.351 ( 9.774 5.643 -1.027) 11.332 7.278 ( -1.576 -0.910 -0.900) 2.031 8.697 ( 6.759 3.902 2.396) 8.164 9.205 ( 9.999 5.773 -8.801) 14.518 11.310 ( -7.319 -4.226 -2.879) 8.928 11.357 ( -4.034 -2.329 1.479) 4.887 11.612 ( -9.207 -5.316 12.531) 16.434 13.413 ( -15.176 -8.762 -0.760) 17.540 17.777 ( 7.539 4.352 1.974) 8.926 17.944 ( -2.277 -1.315 -10.484) 10.809 18.164 ( -1.190 -0.687 -2.413) 2.777 18.168 ( -1.686 -0.973 1.452) 2.428 20.713 ( -5.954 -3.438 32.029) 32.759 21.460 ( -2.221 -1.282 0.678) 2.652 27.323 ( 0.224 0.130 0.072) 0.269 27.532 ( 1.270 0.733 -0.633) 1.597 36.131 ( 6.993 4.037 2.585) 8.478 36.914 ( -0.384 -0.222 -2.186) 2.231 36.941 ( 1.309 0.756 1.260) 1.968 40.215 ( 16.234 9.373 -86.799) 88.800 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 22.075 12.745 4.091) 25.816 1.230 ( 24.364 14.066 1.198) 28.158 2.466 ( 41.671 24.059 7.484) 48.696 2.624 ( 4.437 2.562 -5.211) 7.308 3.157 ( 9.267 5.350 1.499) 10.805 4.073 ( -4.937 -2.850 11.792) 13.097 4.652 ( -9.509 -5.490 -0.261) 10.984 5.442 ( -14.264 -8.235 -0.370) 16.475 5.735 ( 4.839 2.794 7.602) 9.435 6.439 ( 7.548 4.358 0.091) 8.716 6.622 ( 14.073 8.125 -2.425) 16.431 7.232 ( -1.724 -0.995 -1.718) 2.629 8.928 ( 11.886 6.862 4.922) 14.580 9.442 ( 12.273 7.086 0.327) 14.175 11.064 ( -12.285 -7.093 -4.581) 14.906 11.254 ( -5.436 -3.138 0.222) 6.280 11.408 ( -11.339 -6.546 1.174) 13.145 12.967 ( -22.985 -13.271 0.215) 26.542 17.797 ( -6.349 -3.666 -7.694) 10.628 17.951 ( 2.977 1.719 4.214) 5.438 18.121 ( -0.989 -0.571 -2.893) 3.110 18.163 ( 3.297 1.903 0.255) 3.816 20.753 ( -1.129 -0.652 14.446) 14.504 21.390 ( -4.374 -2.525 0.922) 5.134 27.331 ( 0.632 0.365 -0.314) 0.794 27.563 ( 1.725 0.996 -1.094) 2.273 36.360 ( 11.103 6.410 3.997) 13.429 36.891 ( -0.205 -0.118 -3.615) 3.623 37.010 ( 3.980 2.298 4.408) 6.368 40.092 ( 2.659 1.535 -45.229) 45.333 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 19.447 11.227 6.728) 23.441 1.749 ( 20.889 12.060 4.651) 24.565 2.757 ( 9.633 5.561 -4.875) 12.144 3.016 ( 7.953 4.591 -6.080) 11.013 3.569 ( 22.399 12.932 0.894) 25.880 4.063 ( -0.025 -0.015 17.413) 17.413 4.366 ( -14.799 -8.544 -4.772) 17.742 5.086 ( -17.750 -10.248 4.043) 20.891 5.946 ( 9.895 5.713 9.331) 14.752 6.606 ( 6.169 3.561 2.895) 7.689 6.911 ( 12.342 7.125 -4.491) 14.942 7.188 ( -1.248 -0.720 -2.447) 2.839 9.262 ( 14.531 8.389 7.569) 18.407 9.727 ( 11.969 6.911 2.284) 14.009 10.744 ( -13.407 -7.741 -4.329) 16.075 11.039 ( -12.765 -7.370 -7.245) 16.424 11.237 ( -2.949 -1.703 2.293) 4.105 12.445 ( -23.007 -13.283 2.483) 26.682 17.599 ( -7.320 -4.226 -7.633) 11.389 17.900 ( -7.372 -4.256 5.627) 10.205 18.107 ( 0.849 0.490 -0.799) 1.265 18.331 ( 9.229 5.328 -2.773) 11.011 20.804 ( 0.517 0.298 7.820) 7.842 21.277 ( -5.933 -3.425 0.772) 6.894 27.351 ( 1.491 0.861 -1.051) 2.017 27.591 ( 1.135 0.655 -1.123) 1.725 36.619 ( 9.242 5.336 3.045) 11.098 36.874 ( 0.533 0.308 -4.039) 4.086 37.198 ( 10.083 5.821 10.660) 15.785 39.868 ( -4.954 -2.860 -33.211) 33.700 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 16.980 9.803 11.254) 22.607 2.226 ( 19.045 10.996 6.294) 22.874 2.985 ( 10.907 6.297 -0.466) 12.603 3.045 ( 0.110 0.064 -6.677) 6.678 3.780 ( 2.842 1.641 -12.459) 12.884 3.971 ( -15.751 -9.094 -9.323) 20.438 4.328 ( 8.876 5.125 18.295) 20.971 4.704 ( -18.683 -10.787 7.982) 23.003 6.257 ( 12.984 7.496 10.004) 18.024 6.736 ( 3.872 2.235 4.793) 6.555 7.093 ( 5.468 3.157 -7.197) 9.575 7.148 ( -0.850 -0.491 -3.384) 3.524 9.632 ( 13.905 8.028 9.761) 18.790 9.978 ( 9.078 5.241 0.756) 10.509 10.450 ( -10.665 -6.157 -2.158) 12.503 10.703 ( -12.258 -7.077 -8.816) 16.676 11.245 ( 2.548 1.471 0.011) 2.943 11.996 ( -18.112 -10.457 4.653) 21.425 17.416 ( -4.975 -2.872 -7.458) 9.413 17.727 ( -10.116 -5.841 5.501) 12.912 18.159 ( 3.359 1.939 2.956) 4.876 18.481 ( 5.545 3.202 -5.838) 8.665 20.852 ( 1.084 0.626 3.940) 4.134 21.142 ( -6.074 -3.507 0.653) 7.044 27.390 ( 2.661 1.536 -1.642) 3.484 27.597 ( -0.229 -0.132 -0.585) 0.642 36.785 ( 4.644 2.681 2.277) 5.826 36.875 ( 1.270 0.733 -3.747) 4.024 37.570 ( 16.169 9.335 16.783) 25.105 39.531 ( -10.911 -6.300 -28.700) 31.344 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 13.757 7.943 16.354) 22.799 2.636 ( 14.389 8.307 1.881) 16.721 3.001 ( -1.076 -0.621 -5.080) 5.230 3.130 ( -2.049 -1.183 -0.855) 2.516 3.696 ( -3.016 -1.741 2.663) 4.384 3.753 ( 4.001 2.310 -21.978) 22.458 4.363 ( -12.898 -7.447 4.289) 15.499 4.439 ( -5.879 -3.394 11.157) 13.060 6.606 ( 12.787 7.382 10.380) 18.048 6.850 ( 4.162 2.403 6.194) 7.840 7.056 ( -3.518 -2.031 -4.979) 6.426 7.121 ( -1.289 -0.744 -9.288) 9.406 9.956 ( 9.774 5.643 9.470) 14.733 10.117 ( 3.208 1.852 -1.659) 4.059 10.267 ( -5.131 -2.962 2.033) 6.264 10.435 ( -7.064 -4.079 -9.604) 12.600 11.337 ( 5.878 3.394 -2.165) 7.124 11.683 ( -12.270 -7.084 5.344) 15.142 17.323 ( 0.232 0.134 -6.630) 6.635 17.523 ( -9.881 -5.705 5.292) 12.577 18.280 ( 4.845 2.797 6.718) 8.743 18.510 ( 0.307 0.177 -8.364) 8.372 20.894 ( 1.562 0.902 1.361) 2.260 21.023 ( -4.635 -2.676 0.643) 5.390 27.451 ( 3.423 1.976 -1.715) 4.309 27.573 ( -1.872 -1.081 0.326) 2.186 36.866 ( 1.672 0.966 2.567) 3.212 36.888 ( 1.329 0.767 -3.238) 3.583 38.061 ( 18.330 10.583 21.086) 29.876 39.093 ( -15.342 -8.858 -26.472) 31.853 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -3.398 -1.962 -10.821) 11.510 2.803 ( 3.398 1.962 10.821) 11.510 2.962 ( -1.670 -0.964 -4.324) 4.735 2.962 ( 1.670 0.964 4.324) 4.735 3.747 ( 6.248 3.607 -31.936) 32.741 3.747 ( -6.248 -3.607 31.936) 32.741 4.283 ( 8.114 4.685 -10.234) 13.875 4.283 ( -8.114 -4.685 10.234) 13.875 6.899 ( -8.285 -4.783 -7.867) 12.386 6.899 ( 8.285 4.783 7.867) 12.386 6.991 ( -4.886 -2.821 -8.666) 10.341 6.991 ( 4.886 2.821 8.666) 10.341 10.118 ( -1.868 -1.078 -2.383) 3.214 10.118 ( 1.868 1.078 2.383) 3.214 10.275 ( -2.810 -1.623 -10.539) 11.027 10.275 ( 2.810 1.623 10.539) 11.027 11.480 ( -8.396 -4.847 4.162) 10.551 11.480 ( 8.396 4.847 -4.162) 10.551 17.365 ( 6.158 3.555 -5.665) 9.092 17.365 ( -6.158 -3.555 5.665) 9.092 18.422 ( -3.717 -2.146 -8.825) 9.814 18.422 ( 3.717 2.146 8.825) 9.814 20.943 ( -2.740 -1.582 0.142) 3.167 20.943 ( 2.740 1.582 -0.142) 3.167 27.519 ( -3.140 -1.813 1.212) 3.823 27.519 ( 3.140 1.813 -1.212) 3.823 36.894 ( 0.325 0.187 -2.857) 2.881 36.894 ( -0.325 -0.187 2.857) 2.881 38.587 ( -17.885 -10.326 -24.248) 31.851 38.587 ( 17.885 10.326 24.248) 31.851 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 0.000 27.369 15.237) 31.324 0.803 ( 0.000 28.938 18.424) 34.305 1.272 ( 0.000 56.199 13.052) 57.694 2.675 ( 0.000 4.071 7.148) 8.226 2.914 ( -0.000 10.982 -13.354) 17.290 4.246 ( 0.000 -12.179 25.797) 28.527 4.800 ( 0.000 -5.423 0.387) 5.437 5.596 ( -0.000 2.002 -2.701) 3.362 5.688 ( -0.000 -9.529 -3.558) 10.172 6.277 ( -0.000 5.480 -3.451) 6.476 6.345 ( -0.000 11.624 -1.793) 11.762 7.272 ( -0.000 -1.771 -1.772) 2.505 8.712 ( 0.000 7.421 4.413) 8.634 9.104 ( -0.000 15.025 -14.061) 20.578 11.314 ( -0.000 -5.778 -3.718) 6.871 11.315 ( -0.000 -7.762 -2.298) 8.095 11.827 ( 0.000 -13.097 29.010) 31.829 13.402 ( -0.000 -17.891 -2.208) 18.027 17.752 ( -0.000 7.256 -1.271) 7.366 17.929 ( -0.000 4.301 -10.324) 11.184 18.138 ( -0.000 -2.887 -2.462) 3.794 18.160 ( -0.000 -2.626 0.100) 2.628 20.924 ( 0.000 -24.372 47.946) 53.785 21.466 ( 0.000 -2.589 1.394) 2.940 27.325 ( 0.000 0.412 0.371) 0.555 27.527 ( -0.000 1.380 -1.157) 1.801 36.104 ( -0.000 6.603 -0.828) 6.655 36.911 ( -0.000 0.076 -2.737) 2.738 36.933 ( 0.000 0.704 0.290) 0.761 39.680 ( -0.000 64.701 -124.633) 140.426 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 2.878 20.894 16.858) 27.001 1.229 ( 8.822 26.488 6.342) 28.630 2.184 ( 30.121 39.016 9.677) 50.231 2.674 ( -4.340 8.330 2.020) 9.608 3.075 ( 9.118 8.028 -2.513) 12.406 4.204 ( -5.572 -5.736 18.367) 20.032 4.706 ( -4.388 -7.880 0.896) 9.064 5.488 ( -6.208 -13.277 -2.566) 14.880 5.735 ( 8.445 3.014 3.743) 9.717 6.245 ( 1.359 1.890 -1.640) 2.848 6.627 ( 10.327 17.203 -4.080) 20.475 7.233 ( -1.033 -1.617 -2.473) 3.130 8.870 ( 6.121 8.837 6.432) 12.527 9.307 ( 11.517 11.011 -4.979) 16.694 11.118 ( -7.716 -9.783 -4.348) 13.196 11.249 ( -0.787 -7.198 -4.275) 8.409 11.666 ( -17.504 -6.171 17.221) 25.319 13.083 ( -11.571 -22.624 -1.986) 25.488 17.843 ( -6.374 -2.244 -5.154) 8.499 17.857 ( 4.441 1.464 -1.354) 4.868 18.128 ( 2.592 2.111 0.429) 3.370 18.152 ( 0.860 -0.554 -3.427) 3.576 20.878 ( -4.827 -8.325 24.321) 26.156 21.422 ( -2.340 -3.888 1.654) 4.830 27.334 ( -0.005 0.924 0.308) 0.974 27.545 ( 1.105 1.666 -1.711) 2.632 36.269 ( 9.381 7.900 1.223) 12.325 36.884 ( -0.894 0.362 -3.926) 4.042 36.978 ( 3.599 1.425 2.003) 4.359 39.778 ( 9.193 24.545 -67.846) 72.733 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 14.965 13.559 9.933) 22.505 1.650 ( 12.466 15.250 8.755) 21.555 2.643 ( 3.685 7.157 -4.187) 9.073 2.978 ( 11.065 18.194 -1.763) 21.367 3.386 ( 16.971 14.491 2.287) 22.433 4.181 ( -2.745 -0.504 18.976) 19.180 4.494 ( -11.410 -8.307 -1.311) 14.175 5.202 ( -9.708 -15.804 0.922) 18.570 5.945 ( 6.169 8.350 8.072) 13.150 6.366 ( 13.067 -3.378 0.145) 13.497 6.925 ( 6.405 18.030 -4.518) 19.660 7.191 ( -1.060 -0.396 -2.830) 3.048 9.150 ( 12.133 8.728 8.404) 17.146 9.597 ( 12.691 8.622 -2.132) 15.490 10.839 ( -10.564 -9.681 -5.627) 15.395 11.103 ( -5.723 -7.724 -5.404) 11.028 11.385 ( -15.748 -3.757 10.288) 19.182 12.613 ( -16.135 -22.359 0.242) 27.574 17.649 ( -8.211 -5.149 -5.280) 11.037 17.872 ( 1.375 -8.146 3.343) 8.912 18.124 ( -0.210 0.281 -4.798) 4.811 18.282 ( 5.414 10.285 -0.751) 11.647 20.864 ( -2.161 -2.400 12.694) 13.098 21.330 ( -4.393 -4.879 1.346) 6.702 27.346 ( 0.142 1.627 -0.242) 1.651 27.573 ( 1.354 1.550 -1.908) 2.806 36.532 ( 10.311 7.277 2.169) 12.806 36.858 ( -0.230 1.077 -4.606) 4.736 37.126 ( 9.287 3.767 7.066) 12.263 39.724 ( -0.340 7.816 -43.050) 43.755 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 20.656 9.550 5.574) 23.429 2.039 ( 15.292 4.705 14.170) 21.372 2.754 ( 7.127 0.702 -5.833) 9.237 3.170 ( 1.017 13.708 -4.245) 14.386 3.677 ( 5.349 3.371 -9.337) 11.277 4.137 ( -16.169 -7.503 -3.571) 18.179 4.397 ( 4.819 10.608 20.143) 23.269 4.878 ( -12.348 -15.982 6.065) 21.087 6.199 ( 9.040 9.050 8.900) 15.584 6.561 ( 12.955 -5.115 2.236) 14.106 7.119 ( 1.055 12.215 -5.688) 13.516 7.164 ( -1.319 3.143 -3.002) 4.542 9.513 ( 14.889 8.204 9.649) 19.548 9.855 ( 10.922 5.407 -2.917) 12.531 10.542 ( -10.120 -8.355 -5.461) 14.214 10.835 ( -13.771 -4.862 -5.858) 15.735 11.240 ( -3.003 -2.824 6.054) 7.324 12.151 ( -14.744 -19.243 3.157) 24.446 17.440 ( -6.718 -4.880 -5.544) 9.984 17.788 ( -3.839 -10.065 6.238) 12.448 18.133 ( 3.130 2.295 -3.440) 5.187 18.443 ( 3.156 8.460 -3.337) 9.626 20.877 ( -0.675 -0.510 6.632) 6.686 21.202 ( -5.343 -5.020 0.899) 7.386 27.372 ( 1.005 2.464 -0.877) 2.802 27.595 ( 0.571 1.043 -1.509) 1.921 36.739 ( 6.285 4.217 1.874) 7.797 36.853 ( 0.642 1.903 -4.393) 4.830 37.455 ( 16.635 7.490 13.248) 22.546 39.493 ( -8.210 -0.101 -32.768) 33.781 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 22.896 3.849 -0.083) 23.217 2.388 ( 14.458 -1.293 19.534) 24.336 2.792 ( 5.777 -9.109 -7.019) 12.869 3.281 ( -3.028 11.002 -6.027) 12.905 3.695 ( 1.757 8.612 -10.644) 13.804 3.795 ( -12.042 -1.567 -4.821) 13.065 4.541 ( -13.874 -13.630 8.382) 21.178 4.597 ( -4.155 3.949 13.421) 14.594 6.503 ( 11.908 6.083 8.823) 16.020 6.710 ( 9.495 -5.792 2.809) 11.471 7.121 ( -3.044 3.537 -2.920) 5.505 7.188 ( -4.204 9.570 -6.620) 12.373 9.877 ( 12.759 7.366 8.223) 16.872 10.027 ( 7.357 1.808 -3.838) 8.492 10.309 ( -5.392 -6.186 -4.417) 9.319 10.545 ( -13.167 -0.864 -5.336) 14.233 11.252 ( 3.873 -2.275 2.948) 5.373 11.792 ( -10.305 -15.567 5.431) 19.443 17.295 ( -2.455 -2.308 -5.360) 6.331 17.623 ( -7.417 -9.096 5.316) 12.884 18.241 ( 6.593 3.151 1.496) 7.459 18.503 ( -1.063 4.711 -5.681) 7.456 20.896 ( 0.169 0.182 2.917) 2.927 21.074 ( -4.739 -4.049 0.713) 6.274 27.421 ( 2.131 3.161 -1.186) 3.992 27.593 ( -0.906 0.241 -0.582) 1.103 36.853 ( 2.733 1.887 1.344) 3.583 36.870 ( 1.229 2.383 -2.690) 3.798 37.935 ( 20.350 9.387 17.583) 28.485 39.124 ( -13.908 -4.957 -27.881) 31.549 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 12.921 -12.395 -3.156) 18.181 2.636 ( 7.585 -17.764 1.520) 19.375 2.870 ( 15.279 8.612 8.315) 19.411 3.120 ( -15.248 -0.290 -7.157) 16.846 3.635 ( -1.164 11.335 -23.517) 26.132 3.962 ( 5.943 14.129 14.156) 20.865 4.249 ( -8.694 -6.982 1.724) 11.283 4.493 ( -13.486 -3.309 10.586) 17.461 6.738 ( 8.216 -3.812 1.229) 9.140 6.787 ( 5.182 -7.446 2.082) 9.308 7.113 ( -3.394 9.062 -0.926) 9.721 7.142 ( -6.307 8.625 -1.833) 10.841 10.072 ( 4.054 1.486 -5.919) 7.326 10.137 ( 0.330 3.449 0.683) 3.531 10.230 ( 3.409 -1.412 -2.539) 4.479 10.339 ( -6.784 -0.410 1.435) 6.946 11.338 ( 7.833 -2.205 -0.074) 8.137 11.549 ( -6.341 -12.566 6.217) 15.387 17.270 ( 3.517 0.835 -5.130) 6.276 17.447 ( -6.385 -6.820 4.815) 10.510 18.396 ( 4.521 2.653 -0.499) 5.266 18.459 ( -2.766 2.069 -0.815) 3.549 20.920 ( 1.372 0.726 0.637) 1.678 20.978 ( -3.326 -2.547 0.502) 4.219 27.488 ( 2.619 3.251 -1.098) 4.316 27.562 ( -2.517 -0.545 0.556) 2.635 36.882 ( 0.421 1.676 -2.740) 3.239 36.913 ( 0.476 1.001 2.522) 2.754 38.476 ( 20.870 9.607 20.086) 30.517 38.662 ( -17.210 -7.852 -24.346) 30.831 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 1.103 -20.669 -15.523) 25.872 2.702 ( -2.818 -12.233 2.141) 12.735 2.792 ( -0.930 -10.085 -4.470) 11.071 3.252 ( 6.787 13.135 9.023) 17.321 3.666 ( 2.841 13.867 -18.981) 23.678 3.978 ( -10.304 -3.563 17.057) 20.244 4.302 ( -1.405 -0.926 3.461) 3.849 4.384 ( 3.933 11.280 1.220) 12.008 6.643 ( -6.139 -8.636 -8.824) 13.789 6.770 ( 0.828 -8.662 -1.482) 8.827 7.120 ( -2.447 7.350 1.426) 7.877 7.230 ( -0.902 9.237 7.201) 11.747 10.015 ( -8.015 -2.341 -11.168) 13.944 10.128 ( -0.659 -0.664 -0.405) 1.019 10.202 ( 3.397 1.773 -3.671) 5.306 10.432 ( 4.792 4.006 8.819) 10.807 11.379 ( -3.961 -10.069 5.112) 11.967 11.482 ( 11.806 -1.055 -2.172) 12.051 17.348 ( -0.304 -3.066 3.783) 4.879 17.370 ( 7.584 1.789 -3.858) 8.695 18.316 ( -5.397 -0.217 -6.734) 8.633 18.559 ( 1.856 2.672 7.877) 8.523 20.913 ( -2.355 -1.425 -0.256) 2.764 20.971 ( 3.492 1.475 -0.396) 3.811 27.505 ( -3.381 -1.004 0.967) 3.657 27.556 ( 1.862 2.672 -0.201) 3.263 36.875 ( -1.199 0.501 -2.200) 2.555 36.927 ( -1.140 0.616 2.934) 3.207 38.157 ( -18.293 -9.255 -21.213) 29.500 39.016 ( 19.280 8.941 21.438) 30.187 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -3.718 -15.608 -15.397) 22.237 2.279 ( -16.602 -17.651 -4.967) 24.736 2.856 ( 7.177 -8.068 1.250) 10.870 3.335 ( -10.726 11.685 -0.184) 15.862 3.858 ( 3.529 3.588 11.366) 12.430 3.919 ( 2.620 4.044 8.168) 9.484 4.418 ( 2.112 4.111 -8.189) 9.403 4.445 ( 3.455 5.050 -3.268) 6.937 6.360 ( -11.894 -6.066 -9.146) 16.184 6.667 ( -0.814 -9.231 -2.774) 9.673 7.166 ( -0.465 3.556 2.723) 4.503 7.284 ( -6.278 6.276 5.745) 10.574 9.730 ( -12.800 -6.573 -9.855) 17.440 10.058 ( -5.969 -3.322 -1.001) 6.904 10.337 ( 9.531 4.641 -0.548) 10.615 10.638 ( 8.883 7.480 6.469) 13.293 11.261 ( -2.514 -7.412 4.224) 8.894 11.722 ( 18.230 2.053 -3.563) 18.688 17.385 ( 4.372 -0.584 6.305) 7.695 17.532 ( 11.513 0.923 -6.343) 13.177 18.206 ( -4.464 1.003 -3.127) 5.542 18.594 ( -4.340 0.873 5.910) 7.384 20.860 ( -2.244 -0.939 -1.615) 2.920 21.065 ( 5.804 2.109 -0.504) 6.196 27.441 ( -3.539 -0.914 1.395) 3.912 27.600 ( 0.658 1.663 0.230) 1.803 36.825 ( -3.416 -0.914 -1.620) 3.890 36.923 ( -1.932 0.809 3.546) 4.119 37.667 ( -17.100 -9.041 -17.225) 25.901 39.503 ( 16.005 7.327 20.944) 27.359 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -18.430 -10.822 -4.916) 21.931 1.853 ( -7.258 -15.683 -9.005) 19.487 2.834 ( -3.342 -5.286 4.140) 7.500 3.246 ( -11.250 7.293 3.573) 13.875 3.845 ( -10.643 -4.074 12.853) 17.178 4.054 ( -14.104 -1.300 -16.616) 21.834 4.254 ( 8.585 8.056 4.365) 12.556 4.787 ( 22.476 4.728 -5.419) 23.598 6.067 ( -12.674 -1.823 -7.680) 14.931 6.532 ( -1.910 -11.816 -1.747) 12.096 7.190 ( -8.966 3.855 3.519) 10.375 7.199 ( -4.555 2.496 1.539) 5.418 9.385 ( -14.217 -7.589 -6.701) 17.454 9.862 ( -11.454 -3.538 -2.581) 12.263 10.592 ( 13.834 5.568 1.332) 14.972 10.924 ( 12.220 6.250 5.298) 14.712 11.211 ( 1.212 -2.624 2.874) 4.076 12.105 ( 24.940 4.811 -2.773) 25.551 17.534 ( 8.313 1.302 6.647) 10.724 17.689 ( 11.560 -2.237 -6.546) 13.472 18.163 ( -2.349 3.404 0.144) 4.138 18.491 ( -10.207 -0.801 2.804) 10.616 20.799 ( -2.590 -0.775 -3.200) 4.189 21.192 ( 6.790 2.043 -0.378) 7.100 27.387 ( -2.737 -0.426 1.091) 2.977 27.611 ( -0.821 0.579 0.574) 1.157 36.715 ( -7.577 -2.331 -1.359) 8.043 36.919 ( -1.915 1.187 4.237) 4.799 37.257 ( -12.236 -6.942 -12.422) 18.767 39.903 ( 11.939 5.108 19.315) 23.274 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -20.892 -10.642 -1.433) 23.490 1.552 ( -15.230 -4.441 -3.169) 16.178 2.726 ( -7.317 -1.514 5.603) 9.339 3.011 ( -32.711 -3.033 0.253) 32.852 3.342 ( -23.145 -3.565 -2.774) 23.582 3.979 ( 3.572 1.180 -5.244) 6.454 4.515 ( 11.345 3.037 1.222) 11.807 5.183 ( 21.222 2.700 -1.326) 21.434 5.838 ( -10.291 1.974 -5.159) 11.679 6.365 ( -2.849 -11.542 -0.191) 11.890 6.969 ( -19.018 3.831 1.213) 19.438 7.220 ( 1.113 0.439 0.907) 1.501 9.060 ( -13.421 -5.065 -3.194) 14.696 9.603 ( -13.618 -2.543 -2.009) 13.999 10.892 ( 14.770 3.241 1.719) 15.219 11.152 ( 8.556 0.453 0.432) 8.579 11.324 ( 8.699 4.433 3.466) 10.361 12.602 ( 28.687 4.616 -1.043) 29.075 17.733 ( 9.053 1.748 5.499) 10.736 17.809 ( 9.237 -3.409 -4.495) 10.823 18.178 ( -0.862 3.433 1.037) 3.688 18.287 ( -12.564 -1.274 0.222) 12.630 20.727 ( -2.889 -0.558 -4.077) 5.028 21.317 ( 6.042 1.209 -0.305) 6.170 27.352 ( -1.721 -0.051 0.451) 1.780 27.593 ( -1.856 -0.097 0.485) 1.921 36.501 ( -12.894 -3.018 -1.865) 13.373 36.925 ( -1.483 1.369 4.201) 4.661 37.022 ( -4.345 -3.314 -6.494) 8.488 40.200 ( 8.361 2.673 15.701) 17.988 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -23.965 0.000 0.000) 23.965 1.177 ( -27.139 0.000 0.000) 27.139 2.118 ( -58.244 0.000 0.000) 58.244 2.651 ( -3.853 0.000 0.000) 3.853 3.115 ( -8.719 0.000 0.000) 8.719 4.034 ( 3.629 -0.000 -0.000) 3.629 4.700 ( 8.686 -0.000 -0.000) 8.686 5.506 ( 15.097 -0.000 -0.000) 15.097 5.708 ( -4.877 0.000 0.000) 4.877 6.257 ( -1.818 0.000 0.000) 1.818 6.660 ( -19.730 0.000 0.000) 19.730 7.252 ( 2.044 -0.000 -0.000) 2.044 8.820 ( -10.876 0.000 0.000) 10.876 9.363 ( -11.842 0.000 0.000) 11.842 11.146 ( 12.750 -0.000 -0.000) 12.750 11.282 ( 6.627 -0.000 -0.000) 6.627 11.512 ( 7.936 -0.000 -0.000) 7.936 13.098 ( 25.978 -0.000 -0.000) 25.978 17.857 ( -1.975 0.000 0.000) 1.975 17.900 ( 6.892 -0.000 -0.000) 6.892 18.120 ( -3.025 0.000 0.000) 3.025 18.191 ( -0.364 0.000 0.000) 0.364 20.660 ( -2.786 0.000 0.000) 2.786 21.410 ( 4.294 -0.000 -0.000) 4.294 27.331 ( -0.872 0.000 0.000) 0.872 27.559 ( -2.019 0.000 0.000) 2.019 36.260 ( -11.850 0.000 0.000) 11.850 36.929 ( -0.819 0.000 0.000) 0.819 36.947 ( -1.166 0.000 0.000) 1.166 40.386 ( 6.013 -0.000 -0.000) 6.013 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 21.336 12.110) 24.533 1.455 ( 0.000 19.754 14.960) 24.780 2.395 ( 0.000 45.350 9.260) 46.286 2.860 ( 0.000 5.176 7.483) 9.098 3.009 ( -0.000 10.335 -8.215) 13.202 4.294 ( 0.000 -6.579 20.109) 21.158 4.668 ( 0.000 -8.194 1.722) 8.373 5.382 ( -0.000 -17.011 -4.449) 17.583 5.661 ( 0.000 4.420 4.938) 6.627 6.354 ( -0.000 6.644 -5.675) 8.738 6.622 ( -0.000 18.117 -2.446) 18.281 7.211 ( -0.000 -1.488 -3.117) 3.454 8.960 ( 0.000 10.936 7.216) 13.102 9.299 ( -0.000 12.750 -2.432) 12.980 11.057 ( -0.000 -14.637 -5.163) 15.521 11.147 ( -0.000 -5.462 -6.286) 8.327 11.856 ( 0.000 -9.430 19.920) 22.040 12.910 ( -0.000 -28.010 -3.387) 28.214 17.808 ( -0.000 -2.809 -4.847) 5.603 17.906 ( -0.000 0.521 -3.008) 3.053 18.085 ( 0.000 -5.309 0.303) 5.318 18.128 ( -0.000 8.297 -2.050) 8.546 20.942 ( 0.000 -10.083 21.200) 23.476 21.408 ( 0.000 -5.268 2.021) 5.643 27.349 ( 0.000 1.599 0.813) 1.793 27.541 ( -0.000 1.691 -2.284) 2.842 36.271 ( -0.000 11.364 -1.653) 11.484 36.879 ( -0.000 0.391 -3.920) 3.939 36.959 ( 0.000 1.364 0.754) 1.559 39.666 ( -0.000 29.170 -57.052) 64.077 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -2.907 18.480 13.568) 23.110 1.690 ( 3.544 11.909 9.937) 15.910 2.778 ( -7.819 11.512 -0.246) 13.918 2.941 ( 10.982 14.240 0.615) 17.994 3.276 ( 14.159 17.552 -1.752) 22.619 4.316 ( -2.235 -1.627 18.891) 19.092 4.568 ( -5.207 -6.216 3.387) 8.787 5.142 ( -4.393 -19.186 -1.962) 19.780 5.868 ( 12.024 5.604 7.483) 15.231 6.326 ( -3.760 7.122 -2.749) 8.510 6.908 ( 10.443 16.414 -4.894) 20.061 7.184 ( -0.086 0.038 -3.170) 3.171 9.142 ( 5.053 10.293 8.445) 14.241 9.487 ( 8.368 10.010 -1.622) 13.147 10.827 ( -5.075 -15.035 -6.775) 17.254 11.053 ( -1.440 -6.093 -6.276) 8.865 11.712 ( -16.506 -6.138 16.393) 24.060 12.555 ( -6.950 -27.633 -2.118) 28.572 17.674 ( -4.884 -9.774 -3.545) 11.487 17.862 ( -3.482 0.354 0.539) 3.541 18.050 ( 2.589 -4.449 -4.211) 6.650 18.290 ( 5.519 11.724 -1.120) 13.007 20.934 ( -1.937 -5.391 13.847) 14.985 21.340 ( -2.338 -6.368 1.750) 7.006 27.370 ( -0.356 2.346 0.696) 2.473 27.555 ( 1.215 1.521 -2.616) 3.261 36.454 ( 8.101 10.693 -1.155) 13.464 36.854 ( -0.749 1.061 -4.338) 4.529 37.040 ( 6.965 2.167 3.354) 8.028 39.648 ( -1.537 17.421 -40.823) 44.411 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 4.875 10.368 9.323) 14.771 1.942 ( 9.640 5.411 13.780) 17.666 2.721 ( -3.237 1.408 -5.637) 6.651 3.185 ( 7.731 7.795 -2.504) 11.261 3.594 ( 5.886 10.503 -7.401) 14.133 4.306 ( -10.931 -5.267 3.884) 12.741 4.539 ( 1.949 9.879 15.530) 18.509 4.871 ( -5.268 -19.489 3.202) 20.441 6.167 ( 10.908 5.695 7.897) 14.621 6.387 ( 4.619 4.688 0.745) 6.624 7.139 ( 3.245 6.999 -5.475) 9.460 7.206 ( 2.460 8.305 -3.515) 9.348 9.419 ( 11.196 8.584 9.238) 16.863 9.711 ( 9.782 5.916 -3.218) 11.876 10.549 ( -6.583 -13.340 -7.904) 16.845 10.915 ( -4.757 -5.426 -5.653) 9.167 11.441 ( -17.221 -2.221 12.415) 21.345 12.154 ( -9.728 -23.794 0.693) 25.715 17.472 ( -5.914 -8.579 -2.287) 10.668 17.796 ( -4.001 -5.614 6.777) 9.667 18.050 ( 4.503 0.069 -8.671) 9.771 18.469 ( 3.240 10.144 -2.333) 10.901 20.923 ( -1.547 -2.215 8.119) 8.557 21.230 ( -3.885 -6.594 1.130) 7.736 27.392 ( -0.226 2.973 0.177) 2.987 27.580 ( 1.418 1.370 -2.415) 3.118 36.675 ( 7.452 6.644 -0.576) 10.000 36.842 ( 0.286 2.131 -4.585) 5.064 37.294 ( 15.772 4.924 8.568) 18.613 39.507 ( -8.384 7.822 -30.495) 32.580 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 13.686 -2.640 7.020) 15.606 2.250 ( 12.071 3.836 12.944) 18.109 2.628 ( 0.543 -7.860 -7.223) 10.688 3.362 ( 3.155 9.832 -2.175) 10.552 3.694 ( 3.467 11.402 -8.517) 14.648 4.005 ( -17.009 -4.643 -0.990) 17.659 4.603 ( -6.388 -16.362 5.438) 18.387 4.758 ( -1.053 6.004 11.139) 12.698 6.425 ( 9.527 4.625 7.472) 12.961 6.534 ( 7.269 0.369 2.399) 7.664 7.179 ( -0.203 5.074 -2.379) 5.608 7.301 ( -1.129 9.547 -5.870) 11.264 9.757 ( 13.994 6.927 6.490) 16.910 9.890 ( 8.752 2.275 -2.591) 9.406 10.294 ( -5.056 -8.649 -7.987) 12.813 10.723 ( -10.006 -2.821 -4.906) 11.495 11.266 ( -7.332 -1.876 8.577) 11.439 11.794 ( -8.544 -19.847 3.318) 21.861 17.307 ( -4.357 -4.586 -1.760) 6.566 17.673 ( -6.134 -8.763 6.361) 12.445 18.137 ( 8.110 3.165 -4.831) 9.956 18.554 ( -1.009 6.472 -4.168) 7.764 20.919 ( -0.985 -0.737 4.185) 4.362 21.106 ( -3.967 -5.514 0.710) 6.830 27.427 ( 0.775 3.569 -0.221) 3.659 27.598 ( 0.433 0.926 -1.685) 1.971 36.822 ( 4.562 3.034 0.660) 5.518 36.857 ( 1.187 2.897 -4.106) 5.163 37.732 ( 21.990 6.984 12.444) 26.214 39.212 ( -14.893 1.270 -24.601) 28.786 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 13.835 -10.801 3.755) 17.949 2.317 ( 2.764 -20.610 -8.374) 22.418 2.748 ( 14.842 8.528 9.657) 19.654 3.360 ( -13.648 4.872 -3.877) 15.002 3.723 ( -8.182 5.627 -8.524) 13.087 3.963 ( 12.980 15.407 -0.238) 20.147 4.358 ( -9.116 -12.579 7.709) 17.343 4.717 ( -10.230 -2.662 5.473) 11.904 6.611 ( 4.344 -0.390 1.072) 4.492 6.646 ( 6.927 -3.758 4.479) 9.064 7.235 ( -0.283 9.033 0.610) 9.058 7.300 ( -4.790 7.528 -4.520) 10.002 9.970 ( 5.859 2.640 -7.704) 10.033 10.096 ( 10.675 -1.119 1.958) 10.911 10.172 ( 0.303 3.282 -0.413) 3.322 10.490 ( -11.627 -1.994 -3.434) 12.286 11.222 ( 1.164 -4.441 4.250) 6.257 11.522 ( -5.030 -16.970 5.180) 18.442 17.230 ( -0.649 -0.477 -1.944) 2.104 17.504 ( -6.562 -8.053 4.318) 11.249 18.314 ( 8.999 4.259 -0.783) 9.987 18.527 ( -3.944 2.364 -3.783) 5.954 20.920 ( -0.171 0.002 1.581) 1.591 21.005 ( -3.032 -3.579 0.538) 4.721 27.484 ( 1.703 3.819 -0.393) 4.199 27.592 ( -1.102 0.190 -0.592) 1.265 36.880 ( 0.798 2.529 -2.594) 3.709 36.911 ( 2.408 1.546 1.023) 3.039 38.266 ( 24.231 7.324 14.400) 29.123 38.796 ( -19.178 -3.039 -20.508) 28.242 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 1.405 -23.457 -14.799) 27.771 2.382 ( 16.086 -12.502 3.138) 20.613 2.992 ( -22.675 -6.000 -3.558) 23.724 3.191 ( 18.307 11.167 9.647) 23.514 3.717 ( -2.348 15.623 -14.053) 21.144 4.136 ( -7.933 -6.556 3.507) 10.872 4.323 ( 5.213 8.236 3.318) 10.296 4.526 ( -6.221 -1.091 9.091) 11.069 6.591 ( -1.762 -5.033 -4.630) 7.062 6.684 ( 1.175 -6.206 1.502) 6.492 7.258 ( -4.891 6.642 -1.480) 8.380 7.357 ( 0.547 9.304 4.370) 10.293 10.019 ( 1.466 1.747 -9.469) 9.740 10.119 ( 2.019 -0.169 -3.402) 3.960 10.227 ( -8.904 1.771 -4.570) 10.163 10.415 ( 6.611 2.223 8.244) 10.799 11.254 ( 7.070 -6.289 0.414) 9.472 11.348 ( -1.052 -13.392 5.974) 14.702 17.251 ( 3.790 1.595 -3.304) 5.275 17.369 ( -3.303 -5.732 3.929) 7.694 18.378 ( -4.526 1.970 -6.174) 7.905 18.556 ( 5.724 2.294 5.362) 8.172 20.936 ( 1.521 0.523 0.123) 1.613 20.937 ( -2.253 -1.841 0.217) 2.918 27.539 ( -0.126 2.000 -0.897) 2.196 27.568 ( -0.627 0.925 0.963) 1.475 36.892 ( -0.635 1.595 -1.902) 2.562 36.955 ( 0.573 0.944 1.830) 2.138 38.312 ( -20.829 -5.342 -17.202) 27.538 38.823 ( 23.734 6.661 14.888) 28.798 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 4.482 -21.039 -14.180) 25.764 2.473 ( -15.856 -9.935 -0.337) 18.714 2.602 ( 8.132 -5.442 -2.596) 10.124 3.577 ( -0.569 11.697 4.592) 12.579 3.788 ( 11.120 9.128 -4.352) 15.031 3.994 ( -5.328 -2.558 2.493) 6.415 4.287 ( 0.011 -3.420 1.618) 3.783 4.639 ( -3.552 8.621 4.470) 10.340 6.427 ( -7.426 -4.866 -6.352) 10.917 6.610 ( -2.389 -6.133 -0.495) 6.601 7.245 ( -3.015 3.982 1.041) 5.102 7.446 ( -2.392 6.398 3.951) 7.891 9.854 ( -12.663 -2.804 -8.181) 15.334 10.110 ( -3.200 -0.586 -0.402) 3.278 10.216 ( 7.351 2.050 -2.293) 7.968 10.603 ( 7.033 6.478 3.792) 10.287 11.217 ( -0.274 -10.647 4.279) 11.478 11.420 ( 14.787 -3.047 -0.623) 15.111 17.327 ( 4.060 -1.492 1.062) 4.454 17.351 ( 5.664 -0.685 -1.604) 5.926 18.282 ( -4.684 1.432 -3.019) 5.754 18.670 ( 0.854 1.799 4.571) 4.986 20.886 ( -2.357 -0.903 -0.349) 2.548 20.991 ( 4.235 0.938 -0.311) 4.349 27.497 ( -3.304 -0.475 0.366) 3.357 27.608 ( 0.974 2.145 0.389) 2.388 36.867 ( -2.553 0.338 -1.107) 2.803 36.974 ( -0.606 1.117 2.423) 2.736 37.827 ( -20.487 -5.846 -13.040) 24.978 39.336 ( 21.398 5.227 12.707) 25.430 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 4.876 -12.103 -8.070) 15.342 2.017 ( -22.226 -5.987 -1.867) 23.094 2.761 ( 9.182 -2.679 0.297) 9.569 3.505 ( -11.171 4.835 0.217) 12.174 3.921 ( -2.100 -0.859 1.967) 3.003 4.153 ( 9.647 7.126 10.705) 16.077 4.354 ( 7.076 -1.993 -9.701) 12.171 4.513 ( -10.353 2.534 0.091) 10.659 6.218 ( -10.040 -1.391 -4.046) 10.914 6.494 ( -4.275 -5.283 -0.549) 6.818 7.234 ( -2.004 1.370 0.957) 2.609 7.427 ( -7.484 3.387 1.876) 8.426 9.548 ( -15.114 -3.442 -4.037) 16.018 10.001 ( -8.328 -1.248 -0.718) 8.452 10.405 ( 12.824 2.276 -0.483) 13.033 10.820 ( 9.270 5.603 1.678) 10.961 11.158 ( 1.490 -5.793 2.926) 6.659 11.714 ( 22.053 0.129 -1.213) 22.087 17.423 ( 7.668 -1.504 5.529) 9.572 17.462 ( 9.365 -0.052 -6.180) 11.220 18.230 ( -2.456 1.834 -0.355) 3.086 18.649 ( -6.473 0.448 2.053) 6.806 20.832 ( -2.978 -0.433 -0.758) 3.104 21.091 ( 6.474 0.810 -0.184) 6.527 27.439 ( -3.250 -0.285 0.453) 3.294 27.631 ( -0.236 0.912 0.283) 0.983 36.801 ( -4.757 -0.387 -0.473) 4.796 36.985 ( -1.098 1.390 2.902) 3.400 37.394 ( -18.011 -4.411 -8.137) 20.250 39.760 ( 17.700 2.925 8.085) 19.677 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -13.574 0.000 0.000) 13.574 1.646 ( -8.286 0.000 0.000) 8.286 2.815 ( -1.516 0.000 0.000) 1.516 3.342 ( -11.802 0.000 0.000) 11.802 3.898 ( -37.326 0.000 0.000) 37.326 3.923 ( 1.805 -0.000 -0.000) 1.805 4.364 ( 8.465 -0.000 -0.000) 8.465 4.798 ( 24.636 -0.000 -0.000) 24.636 6.023 ( -11.355 0.000 0.000) 11.355 6.378 ( -5.026 0.000 0.000) 5.026 7.219 ( -0.585 0.000 0.000) 0.585 7.272 ( -13.728 0.000 0.000) 13.728 9.264 ( -14.816 0.000 0.000) 14.816 9.813 ( -12.508 0.000 0.000) 12.508 10.659 ( 15.177 -0.000 -0.000) 15.177 11.006 ( 9.032 -0.000 -0.000) 9.032 11.212 ( 6.875 -0.000 -0.000) 6.875 12.136 ( 27.568 -0.000 -0.000) 27.568 17.598 ( 10.061 -0.000 -0.000) 10.061 17.599 ( 10.415 -0.000 -0.000) 10.415 18.214 ( -1.117 0.000 0.000) 1.117 18.497 ( -11.777 0.000 0.000) 11.777 20.772 ( -3.506 0.000 0.000) 3.506 21.211 ( 6.994 -0.000 -0.000) 6.994 27.389 ( -2.601 0.000 0.000) 2.601 27.622 ( -1.346 0.000 0.000) 1.346 36.682 ( -9.476 0.000 0.000) 9.476 36.988 ( -1.014 0.000 0.000) 1.014 37.088 ( -11.584 0.000 0.000) 11.584 40.061 ( 13.590 -0.000 -0.000) 13.590 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 0.000 14.027 6.294) 15.374 1.861 ( 0.000 8.167 10.930) 13.644 2.896 ( -0.000 -6.041 -4.924) 7.793 2.932 ( -0.000 4.488 -0.706) 4.543 3.381 ( 0.000 31.532 1.893) 31.589 4.407 ( 0.000 -0.625 15.760) 15.772 4.596 ( 0.000 -2.062 7.894) 8.159 4.969 ( -0.000 -21.287 -2.122) 21.393 5.882 ( 0.000 10.083 9.325) 13.734 6.413 ( -0.000 5.768 -5.798) 8.178 6.959 ( -0.000 18.034 -2.700) 18.235 7.170 ( -0.000 1.220 -2.981) 3.221 9.236 ( 0.000 8.496 7.351) 11.235 9.513 ( 0.000 9.558 -0.137) 9.559 10.655 ( -0.000 -19.094 -8.100) 20.741 10.987 ( -0.000 -4.185 -6.105) 7.401 11.887 ( 0.000 -6.102 16.788) 17.863 12.322 ( -0.000 -27.095 -2.785) 27.238 17.592 ( -0.000 -10.731 -6.797) 12.703 17.891 ( -0.000 0.409 -2.070) 2.110 17.966 ( 0.000 -7.836 2.238) 8.149 18.363 ( -0.000 15.320 -1.718) 15.416 20.961 ( 0.000 -5.066 11.237) 12.326 21.301 ( 0.000 -7.598 1.641) 7.773 27.407 ( 0.000 3.249 1.219) 3.470 27.540 ( -0.000 0.891 -3.060) 3.187 36.492 ( -0.000 13.201 -2.804) 13.495 36.854 ( -0.000 0.618 -2.639) 2.711 37.000 ( 0.000 1.811 1.277) 2.217 39.655 ( -0.000 16.526 -32.249) 36.237 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -3.684 -2.379 9.074) 10.078 1.980 ( 3.733 13.099 4.472) 14.336 2.722 ( -4.070 -10.134 -9.448) 14.440 3.049 ( 10.574 1.064 -1.230) 10.699 3.676 ( -0.048 20.115 1.662) 20.184 4.446 ( -5.956 -0.413 7.731) 9.768 4.648 ( 0.685 2.061 7.063) 7.389 4.748 ( -0.360 -16.423 5.353) 17.277 6.097 ( 7.470 7.974 8.102) 13.602 6.436 ( -0.576 7.330 -1.571) 7.518 7.127 ( 2.790 8.060 -4.885) 9.829 7.220 ( 3.259 9.309 -1.616) 9.994 9.388 ( 5.964 5.455 6.808) 10.568 9.633 ( 4.874 6.018 -1.672) 7.923 10.414 ( -1.201 -18.001 -8.705) 20.031 10.899 ( -2.701 -3.767 -4.394) 6.388 11.776 ( -14.872 -3.121 12.912) 19.940 12.044 ( -3.852 -21.507 -0.178) 21.850 17.429 ( -2.086 -10.727 -3.955) 11.621 17.867 ( -4.841 -6.542 6.823) 10.620 17.915 ( 4.583 -0.045 -7.781) 9.031 18.524 ( 1.869 13.420 -2.054) 13.704 20.960 ( -0.947 -3.075 7.605) 8.257 21.214 ( -1.923 -7.935 1.098) 8.239 27.436 ( -1.027 3.322 0.851) 3.580 27.550 ( 1.874 0.950 -2.793) 3.495 36.643 ( 4.333 10.505 -3.159) 11.795 36.841 ( -0.488 1.306 -2.687) 3.027 37.128 ( 11.404 2.785 4.236) 12.480 39.596 ( -6.592 11.067 -24.406) 27.597 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 4.760 -13.161 8.608) 16.431 2.219 ( 6.474 11.849 1.853) 13.629 2.509 ( -1.841 -11.440 -6.743) 13.406 3.281 ( 14.299 3.975 0.123) 14.842 3.797 ( -4.024 14.376 0.545) 14.938 4.235 ( -15.491 -6.766 1.553) 16.975 4.527 ( -1.887 -13.817 2.502) 14.168 4.853 ( 1.342 5.041 6.679) 8.474 6.326 ( 9.179 2.931 5.770) 11.231 6.532 ( 1.390 7.809 3.244) 8.569 7.200 ( 2.131 5.443 -2.600) 6.398 7.358 ( 1.571 9.442 -3.988) 10.369 9.610 ( 12.040 2.622 4.136) 12.998 9.762 ( 7.064 1.644 -2.124) 7.558 10.206 ( -0.327 -11.858 -7.453) 14.010 10.779 ( -5.299 -3.102 -3.348) 6.994 11.536 ( -16.578 -0.685 9.099) 18.923 11.762 ( -8.339 -16.113 2.026) 18.256 17.301 ( -1.420 -7.048 -0.113) 7.191 17.729 ( -6.055 -8.246 4.657) 11.240 17.996 ( 7.630 2.525 -5.659) 9.829 18.627 ( -1.502 9.129 -3.437) 9.870 20.950 ( -1.166 -1.465 4.441) 4.820 21.105 ( -2.586 -6.785 0.602) 7.286 27.455 ( -0.217 2.879 0.302) 2.903 27.581 ( 1.591 1.347 -2.075) 2.941 36.779 ( 4.214 5.319 -1.798) 7.020 36.846 ( 0.838 2.291 -3.169) 3.999 37.473 ( 20.792 4.597 7.510) 22.579 39.389 ( -14.407 5.557 -18.796) 24.326 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 12.517 -21.001 2.935) 24.623 2.190 ( -7.815 -6.191 -7.231) 12.317 2.619 ( 14.345 6.205 6.547) 16.945 3.569 ( 4.533 10.621 2.315) 11.778 3.895 ( -5.156 -2.156 3.224) 6.452 3.901 ( -4.560 8.842 -3.373) 10.505 4.372 ( -4.324 -10.354 3.112) 11.644 4.828 ( -6.347 -4.204 -1.584) 7.776 6.516 ( 8.208 -0.916 4.815) 9.560 6.618 ( -0.846 4.347 2.791) 5.235 7.295 ( 2.763 7.273 0.056) 7.781 7.404 ( -2.386 6.485 -4.290) 8.133 9.850 ( 9.526 4.306 -5.976) 12.042 9.872 ( 10.731 -6.047 0.384) 12.324 10.150 ( 4.950 -1.244 0.008) 5.103 10.622 ( -8.868 -1.410 -3.479) 9.630 11.319 ( -12.197 -1.554 6.157) 13.751 11.487 ( -7.956 -13.930 2.912) 16.304 17.241 ( -1.157 -1.754 1.375) 2.511 17.559 ( -6.709 -7.832 2.755) 10.675 18.167 ( 11.442 3.217 -1.927) 12.040 18.612 ( -5.342 4.205 -4.429) 8.113 20.938 ( -1.038 -0.525 2.097) 2.399 21.012 ( -2.092 -4.426 0.406) 4.913 27.493 ( 1.228 2.785 0.191) 3.050 27.599 ( 0.130 0.945 -1.346) 1.650 36.873 ( 2.159 2.087 -0.721) 3.088 36.878 ( 2.762 2.565 -2.248) 4.389 37.960 ( 25.685 4.824 8.878) 27.601 39.038 ( -20.590 1.203 -14.613) 25.277 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.192 -20.153 -9.501) 22.282 2.060 ( 7.318 -7.676 2.137) 10.819 2.998 ( 18.431 7.227 4.930) 20.402 3.347 ( -24.271 -3.152 -0.644) 24.483 3.892 ( -3.756 15.037 1.137) 15.540 4.171 ( 2.617 4.513 -5.435) 7.533 4.268 ( 9.025 -1.494 8.597) 12.553 4.594 ( -7.927 -11.097 -2.402) 13.847 6.604 ( -3.768 0.060 0.022) 3.769 6.611 ( 2.881 -3.152 2.065) 4.743 7.379 ( -4.133 4.429 -2.530) 6.565 7.425 ( 2.961 7.017 2.183) 7.923 9.932 ( 5.765 0.349 -5.207) 7.776 10.022 ( 7.442 1.060 -5.282) 9.187 10.316 ( 10.557 -0.919 5.675) 12.020 10.421 ( -12.387 2.561 -3.131) 13.031 11.172 ( -4.023 -4.168 2.771) 6.421 11.274 ( -3.706 -12.040 3.566) 13.092 17.236 ( -0.268 1.797 0.231) 1.831 17.397 ( -5.147 -6.218 1.938) 8.301 18.391 ( 8.877 4.210 -0.510) 9.838 18.515 ( -3.715 -0.304 -2.268) 4.363 20.930 ( -0.213 -0.004 0.616) 0.652 20.952 ( -1.591 -2.119 0.264) 2.662 27.547 ( 1.727 2.544 0.056) 3.075 27.589 ( -1.227 0.099 -0.439) 1.308 36.902 ( 0.461 1.709 -1.551) 2.354 36.942 ( 2.488 0.850 0.332) 2.650 38.491 ( 23.347 4.194 6.600) 24.622 38.598 ( -20.038 -1.594 -8.976) 22.014 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -1.657 -12.441 -7.892) 14.826 2.226 ( 16.473 -4.937 0.929) 17.222 2.869 ( -26.433 -3.072 -1.286) 26.642 3.425 ( 22.191 4.950 2.934) 22.925 3.914 ( -10.658 11.288 -2.358) 15.703 4.069 ( -5.601 -1.938 0.079) 5.927 4.290 ( -3.871 -7.251 0.257) 8.224 4.667 ( 11.495 3.796 3.460) 12.590 6.490 ( -7.179 -1.583 -2.030) 7.626 6.602 ( -1.083 -2.690 0.421) 2.930 7.337 ( -3.769 2.306 -0.369) 4.434 7.525 ( 0.767 3.824 1.861) 4.321 9.965 ( -2.858 0.633 -4.537) 5.399 10.108 ( 4.862 1.160 -1.589) 5.245 10.198 ( -8.692 -1.030 -0.788) 8.788 10.539 ( 8.711 3.459 2.227) 9.633 11.131 ( 1.169 -5.620 1.294) 5.885 11.199 ( 5.909 -5.025 1.760) 7.954 17.263 ( 1.539 2.606 -2.398) 3.861 17.306 ( -0.597 -4.168 2.751) 5.029 18.365 ( -5.799 0.939 -2.218) 6.280 18.627 ( 7.967 0.894 2.015) 8.266 20.913 ( -1.757 -0.698 0.042) 1.891 20.944 ( 1.782 0.220 -0.016) 1.796 27.547 ( -2.731 0.103 -0.191) 2.740 27.604 ( 1.732 1.139 0.299) 2.094 36.901 ( -1.301 0.617 -0.654) 1.581 36.982 ( 1.342 0.454 0.654) 1.561 38.119 ( -24.180 -1.885 -6.168) 25.025 39.018 ( 25.864 2.363 5.476) 26.543 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 4.689 -0.000 -0.000) 4.689 2.367 ( -18.329 0.000 0.000) 18.329 2.534 ( 9.783 -0.000 -0.000) 9.783 3.726 ( -10.941 0.000 0.000) 10.941 3.879 ( 23.333 -0.000 -0.000) 23.333 3.975 ( -4.402 0.000 0.000) 4.402 4.241 ( 0.188 -0.000 -0.000) 0.188 4.750 ( -6.233 0.000 0.000) 6.233 6.345 ( -7.853 0.000 0.000) 7.853 6.544 ( -3.881 0.000 0.000) 3.881 7.290 ( -3.193 0.000 0.000) 3.193 7.533 ( -2.758 0.000 0.000) 2.758 9.779 ( -14.621 0.000 0.000) 14.621 10.101 ( -4.534 0.000 0.000) 4.534 10.225 ( 8.906 -0.000 -0.000) 8.906 10.707 ( 8.481 -0.000 -0.000) 8.481 11.113 ( 0.628 -0.000 -0.000) 0.628 11.382 ( 16.313 -0.000 -0.000) 16.313 17.317 ( 5.001 -0.000 -0.000) 5.001 17.331 ( 4.505 -0.000 -0.000) 4.505 18.285 ( -3.579 0.000 0.000) 3.579 18.712 ( 0.529 -0.000 -0.000) 0.529 20.875 ( -2.429 0.000 0.000) 2.429 20.999 ( 4.543 -0.000 -0.000) 4.543 27.494 ( -3.295 0.000 0.000) 3.295 27.633 ( 0.783 -0.000 -0.000) 0.783 36.864 ( -3.065 0.000 0.000) 3.065 37.002 ( 0.391 -0.000 -0.000) 0.391 37.697 ( -22.294 0.000 0.000) 22.294 39.455 ( 22.430 -0.000 -0.000) 22.430 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -0.000 -14.626 -2.060) 14.770 2.006 ( -0.000 6.432 -1.897) 6.706 2.594 ( -0.000 -9.244 -8.935) 12.856 2.943 ( 0.000 -0.997 1.682) 1.955 3.906 ( 0.000 15.648 8.621) 17.865 4.520 ( -0.000 -20.616 -1.625) 20.680 4.583 ( 0.000 7.582 4.483) 8.808 4.757 ( 0.000 3.926 12.530) 13.131 6.149 ( 0.000 6.469 4.654) 7.969 6.514 ( 0.000 9.242 1.043) 9.301 7.148 ( -0.000 5.250 -4.028) 6.617 7.296 ( 0.000 12.366 -0.121) 12.367 9.392 ( 0.000 0.586 4.482) 4.520 9.632 ( -0.000 3.695 -2.649) 4.546 10.194 ( -0.000 -17.971 -8.511) 19.884 10.884 ( -0.000 -1.763 -1.650) 2.415 11.869 ( -0.000 -16.551 -0.810) 16.571 11.965 ( 0.000 -1.375 12.064) 12.142 17.305 ( -0.000 -10.893 -6.321) 12.595 17.809 ( -0.000 -5.184 -3.593) 6.307 17.906 ( 0.000 -2.331 4.673) 5.222 18.643 ( -0.000 14.442 -1.449) 14.514 20.973 ( 0.000 -2.571 5.800) 6.344 21.154 ( 0.000 -8.389 0.741) 8.422 27.493 ( 0.000 4.022 1.303) 4.227 27.515 ( -0.000 -0.112 -2.998) 3.000 36.702 ( -0.000 12.008 -5.514) 13.213 36.854 ( 0.000 0.117 1.696) 1.700 37.051 ( 0.000 1.779 1.467) 2.306 39.652 ( -0.000 9.585 -18.195) 20.565 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.380 -27.479 -7.677) 28.533 2.154 ( 11.600 4.821 -4.216) 13.250 2.467 ( -5.099 -3.175 -2.452) 6.487 3.052 ( 11.966 -0.559 2.181) 12.175 4.035 ( -4.147 9.805 9.898) 14.536 4.287 ( -4.136 -17.945 -0.627) 18.426 4.582 ( -8.773 5.490 2.104) 10.561 4.894 ( 1.983 4.188 4.785) 6.661 6.249 ( 5.357 2.266 1.966) 6.140 6.631 ( 0.114 10.064 4.766) 11.136 7.198 ( 2.210 4.936 -2.500) 5.958 7.415 ( 0.759 9.465 -1.188) 9.570 9.457 ( 7.216 -2.928 2.048) 8.052 9.668 ( 3.566 0.455 -3.499) 5.017 10.018 ( 2.543 -13.002 -6.363) 14.697 10.838 ( -3.877 -0.104 0.074) 3.880 11.687 ( -5.832 -10.242 0.814) 11.814 11.907 ( -11.810 -0.283 8.122) 14.336 17.204 ( 2.748 -8.172 -3.013) 9.133 17.729 ( -2.080 -6.717 -1.225) 7.137 17.919 ( 1.955 0.414 1.266) 2.365 18.749 ( -2.235 11.123 -1.796) 11.487 20.972 ( -0.643 -1.553 3.696) 4.060 21.069 ( -1.023 -7.215 0.353) 7.296 27.485 ( -0.841 0.888 -0.945) 1.545 27.559 ( 1.839 2.501 -0.489) 3.143 36.783 ( 1.054 7.912 -5.262) 9.560 36.850 ( -0.905 0.490 1.147) 1.541 37.224 ( 15.458 2.620 3.571) 16.080 39.574 ( -9.212 6.228 -13.100) 17.183 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 12.172 -26.828 -6.149) 30.095 2.310 ( -10.461 -0.367 -1.408) 10.561 2.433 ( 16.348 3.627 0.935) 16.771 3.354 ( 21.839 2.705 1.157) 22.036 4.024 ( -9.429 -11.913 0.352) 15.197 4.096 ( -4.671 8.397 9.212) 13.311 4.455 ( -11.518 3.190 1.493) 12.045 4.864 ( -5.676 -4.054 -5.219) 8.711 6.395 ( 8.146 0.277 2.752) 8.603 6.723 ( -2.197 6.506 3.900) 7.897 7.292 ( 4.130 4.999 -0.736) 6.526 7.475 ( -1.364 5.454 -2.106) 6.004 9.594 ( 12.535 -4.981 -0.831) 13.514 9.731 ( 6.373 0.500 -3.596) 7.335 9.987 ( 7.576 -6.546 -1.776) 10.169 10.754 ( -7.100 1.675 0.084) 7.296 11.480 ( -9.201 -7.412 1.625) 11.926 11.676 ( -18.091 -0.069 4.404) 18.619 17.208 ( 4.041 -3.103 1.145) 5.222 17.597 ( -5.279 -6.296 -0.306) 8.222 18.010 ( 7.861 1.406 -0.588) 8.007 18.747 ( -6.536 5.995 -2.531) 9.224 20.960 ( -1.028 -0.765 1.848) 2.249 20.995 ( -0.922 -4.453 0.229) 4.554 27.491 ( 1.018 0.810 -0.338) 1.344 27.600 ( 0.660 1.804 -0.626) 2.021 36.845 ( 2.178 3.560 -2.453) 4.841 36.861 ( 1.097 0.964 -0.385) 1.510 37.609 ( 23.608 2.721 4.368) 24.163 39.331 ( -17.873 2.820 -8.900) 20.165 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 15.023 -14.316 -3.660) 21.072 2.092 ( -11.981 -1.981 0.094) 12.144 2.763 ( 17.553 3.150 1.604) 17.906 3.684 ( -15.386 0.157 -2.201) 15.544 3.861 ( 24.888 0.253 4.461) 25.285 4.156 ( -2.201 6.548 6.601) 9.555 4.303 ( -10.671 4.396 1.187) 11.601 4.603 ( -10.581 -11.627 -8.590) 17.915 6.523 ( 5.724 -0.966 1.501) 5.996 6.713 ( -5.529 2.229 1.466) 6.139 7.415 ( 4.996 3.543 0.506) 6.146 7.462 ( -3.183 2.327 -1.511) 4.223 9.750 ( 11.630 -3.271 -1.475) 12.171 9.874 ( 9.384 3.186 -3.657) 10.564 10.108 ( 12.078 -3.953 1.779) 12.832 10.631 ( -9.929 2.526 -0.468) 10.256 11.265 ( -8.979 -5.346 1.522) 10.561 11.385 ( -16.264 -1.057 1.724) 16.389 17.258 ( 1.466 0.980 1.848) 2.554 17.442 ( -6.201 -4.445 -0.383) 7.639 18.204 ( 13.361 1.188 -0.011) 13.413 18.634 ( -9.068 1.632 -2.070) 9.444 20.943 ( -0.886 -0.438 0.529) 1.121 20.954 ( -0.816 -1.459 0.212) 1.685 27.528 ( 2.289 0.698 0.038) 2.393 27.609 ( -0.722 0.741 -0.419) 1.116 36.892 ( 1.488 0.956 -0.888) 1.979 36.902 ( 2.825 0.842 -0.289) 2.962 38.088 ( 27.689 1.741 3.277) 27.936 38.956 ( -23.701 0.435 -4.823) 24.190 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -0.089 0.000 0.000) 0.089 1.992 ( 5.205 -0.000 -0.000) 5.205 3.097 ( 19.831 -0.000 -0.000) 19.831 3.298 ( -25.492 0.000 0.000) 25.492 4.146 ( -4.451 0.000 0.000) 4.451 4.227 ( -14.427 0.000 0.000) 14.427 4.272 ( -3.299 0.000 0.000) 3.299 4.366 ( 24.898 -0.000 -0.000) 24.898 6.585 ( 1.987 -0.000 -0.000) 1.987 6.610 ( -7.634 0.000 0.000) 7.634 7.409 ( -3.676 0.000 0.000) 3.676 7.511 ( 3.608 -0.000 -0.000) 3.608 9.903 ( 7.853 -0.000 -0.000) 7.853 10.018 ( 6.516 -0.000 -0.000) 6.516 10.284 ( 6.143 -0.000 -0.000) 6.143 10.480 ( -5.991 0.000 0.000) 5.991 11.130 ( -3.737 0.000 0.000) 3.737 11.176 ( -6.691 0.000 0.000) 6.691 17.282 ( -0.162 0.000 0.000) 0.162 17.319 ( -4.569 0.000 0.000) 4.569 18.448 ( 13.533 -0.000 -0.000) 13.533 18.483 ( -8.294 0.000 0.000) 8.294 20.931 ( -0.616 0.000 0.000) 0.616 20.935 ( -0.608 0.000 0.000) 0.608 27.573 ( 2.289 -0.000 -0.000) 2.289 27.588 ( -1.760 0.000 0.000) 1.760 36.911 ( 0.334 -0.000 -0.000) 0.334 36.951 ( 2.547 -0.000 -0.000) 2.547 38.522 ( -25.715 0.000 0.000) 25.715 38.583 ( 28.308 -0.000 -0.000) 28.308 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -0.000 -37.041 -19.212) 41.727 2.025 ( -0.000 0.743 -5.103) 5.157 2.505 ( 0.000 0.071 0.582) 0.586 2.959 ( 0.000 -0.281 3.278) 3.290 4.148 ( -0.000 -14.585 -0.761) 14.605 4.185 ( 0.000 3.641 10.728) 11.329 4.752 ( -0.000 8.496 -3.954) 9.371 4.948 ( 0.000 3.600 7.383) 8.214 6.216 ( -0.000 0.687 -0.562) 0.888 6.752 ( 0.000 8.689 4.851) 9.952 7.209 ( -0.000 3.910 -1.689) 4.260 7.491 ( 0.000 7.096 -0.230) 7.099 9.357 ( -0.000 -5.184 0.274) 5.192 9.618 ( -0.000 -0.631 -3.594) 3.649 9.852 ( -0.000 -9.446 -4.198) 10.337 10.882 ( 0.000 0.800 1.424) 1.633 11.662 ( 0.000 -5.521 0.416) 5.537 12.056 ( 0.000 0.624 6.050) 6.082 17.074 ( -0.000 -6.854 -3.841) 7.856 17.688 ( -0.000 -3.992 -1.552) 4.284 17.913 ( 0.000 -0.857 2.356) 2.507 18.868 ( -0.000 9.200 -0.785) 9.234 20.980 ( 0.000 -1.080 2.430) 2.659 21.011 ( -0.000 -5.993 0.101) 5.994 27.483 ( -0.000 -0.428 -1.873) 1.922 27.575 ( 0.000 2.825 0.857) 2.952 36.812 ( -0.000 5.296 -5.858) 7.897 36.907 ( 0.000 1.747 4.044) 4.405 37.093 ( 0.000 1.118 1.001) 1.500 39.655 ( -0.000 4.524 -8.299) 9.452 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 13.034 -27.506 -12.390) 32.863 2.158 ( 16.168 0.627 -2.278) 16.340 2.458 ( -6.258 0.344 0.316) 6.275 3.070 ( 12.011 -0.045 1.664) 12.126 4.014 ( -2.601 -7.775 -0.321) 8.205 4.236 ( -1.918 1.798 6.584) 7.090 4.733 ( -8.349 7.093 0.348) 10.961 4.922 ( -8.190 -1.965 -1.243) 8.514 6.278 ( 6.571 0.276 0.423) 6.591 6.828 ( -1.315 4.464 2.682) 5.371 7.260 ( 3.065 2.439 -0.667) 3.973 7.534 ( -1.025 3.349 -0.425) 3.528 9.373 ( 7.317 -3.685 -0.594) 8.214 9.628 ( 3.901 -0.341 -2.088) 4.438 9.810 ( 4.805 -4.527 -1.534) 6.777 10.865 ( -3.738 1.005 0.927) 3.980 11.572 ( -6.333 -2.675 0.439) 6.889 11.973 ( -12.673 0.498 2.766) 12.981 17.070 ( 6.767 -3.043 -1.102) 7.501 17.623 ( -3.340 -2.629 -0.745) 4.316 17.934 ( 2.528 -0.011 0.822) 2.658 18.894 ( -4.763 4.477 -0.681) 6.572 20.964 ( -0.241 -2.915 0.081) 2.926 20.977 ( -0.449 -0.621 1.032) 1.286 27.476 ( 0.609 -0.115 -0.742) 0.967 27.605 ( 0.533 1.410 0.215) 1.523 36.835 ( 1.113 2.298 -2.770) 3.767 36.881 ( -2.922 0.699 1.354) 3.295 37.289 ( 17.529 1.099 1.374) 17.617 39.567 ( -10.398 2.028 -4.138) 11.374 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 20.661 -0.000 -0.000) 20.661 2.303 ( -12.018 0.000 0.000) 12.018 2.474 ( 19.112 -0.000 -0.000) 19.112 3.391 ( 25.217 -0.000 -0.000) 25.217 3.893 ( -7.990 0.000 0.000) 7.990 4.228 ( -2.063 0.000 0.000) 2.063 4.635 ( -16.775 0.000 0.000) 16.775 4.659 ( -9.180 0.000 0.000) 9.180 6.410 ( 7.708 -0.000 -0.000) 7.708 6.813 ( -3.820 0.000 0.000) 3.820 7.343 ( 5.164 -0.000 -0.000) 5.164 7.518 ( -2.427 0.000 0.000) 2.427 9.520 ( 11.972 -0.000 -0.000) 11.972 9.727 ( 8.213 -0.000 -0.000) 8.213 9.904 ( 9.307 -0.000 -0.000) 9.307 10.784 ( -6.852 0.000 0.000) 6.852 11.413 ( -10.330 0.000 0.000) 10.330 11.702 ( -19.181 0.000 0.000) 19.181 17.189 ( 7.342 -0.000 -0.000) 7.342 17.525 ( -6.013 0.000 0.000) 6.013 18.022 ( 8.077 -0.000 -0.000) 8.077 18.795 ( -8.665 0.000 0.000) 8.665 20.947 ( -0.205 0.000 0.000) 0.205 20.965 ( -0.892 0.000 0.000) 0.892 27.495 ( 1.747 -0.000 -0.000) 1.747 27.618 ( 0.066 -0.000 -0.000) 0.066 36.865 ( 1.775 -0.000 -0.000) 1.775 36.872 ( 0.890 -0.000 -0.000) 0.890 37.659 ( 24.517 -0.000 -0.000) 24.517 39.314 ( -19.011 0.000 0.000) 19.011 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.815 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 9.290 ( 0.000 0.000 0.000) 0.000 9.585 ( 0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 11.618 ( 0.000 0.000 0.000) 0.000 12.095 ( 0.000 0.000 0.000) 0.000 16.984 ( 0.000 0.000 0.000) 0.000 17.639 ( 0.000 0.000 0.000) 0.000 17.917 ( 0.000 0.000 0.000) 0.000 18.958 ( 0.000 0.000 0.000) 0.000 20.949 ( 0.000 0.000 0.000) 0.000 20.981 ( 0.000 0.000 0.000) 0.000 27.468 ( 0.000 0.000 0.000) 0.000 27.608 ( 0.000 0.000 0.000) 0.000 36.829 ( 0.000 0.000 0.000) 0.000 36.951 ( 0.000 0.000 0.000) 0.000 37.110 ( 0.000 0.000 0.000) 0.000 39.657 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 0.000 0.000 31.357) 31.357 0.484 ( 0.000 0.000 31.357) 31.357 0.781 ( 0.000 0.000 50.802) 50.802 2.630 ( 0.000 0.000 4.167) 4.167 2.630 ( 0.000 0.000 4.167) 4.167 4.866 ( 0.000 0.000 1.817) 1.817 4.866 ( 0.000 0.000 1.817) 1.817 5.322 ( 0.000 0.000 7.193) 7.193 5.756 ( -0.000 -0.000 -6.035) 6.035 6.214 ( -0.000 -0.000 -2.966) 2.966 6.214 ( -0.000 -0.000 -2.966) 2.966 7.279 ( -0.000 -0.000 -2.767) 2.767 8.666 ( 0.000 0.000 6.999) 6.999 8.666 ( 0.000 0.000 6.999) 6.999 11.362 ( -0.000 -0.000 -5.228) 5.228 11.362 ( -0.000 -0.000 -5.228) 5.228 12.394 ( 0.000 0.000 1.728) 1.728 13.568 ( -0.000 -0.000 -3.525) 3.525 17.687 ( 0.000 -0.000 1.216) 1.216 17.687 ( 0.000 -0.000 1.216) 1.216 18.177 ( -0.000 0.000 -1.061) 1.061 18.177 ( -0.000 0.000 -1.061) 1.061 21.501 ( 0.000 0.000 2.284) 2.284 22.446 ( -0.000 -0.000 -2.003) 2.003 27.324 ( 0.000 0.000 0.520) 0.520 27.515 ( -0.000 -0.000 -0.368) 0.368 36.057 ( 0.000 -0.000 1.893) 1.893 36.057 ( 0.000 0.000 1.893) 1.893 36.909 ( -0.000 -0.000 -2.052) 2.052 36.909 ( -0.000 -0.000 -2.052) 2.052 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 18.043 10.417 16.771) 26.745 0.824 ( 11.754 6.786 24.419) 27.938 1.671 ( 41.498 23.959 29.797) 56.427 2.578 ( -2.044 -1.180 0.923) 2.535 2.925 ( 12.717 7.342 -0.108) 14.685 4.460 ( -15.562 -8.985 20.993) 27.633 4.828 ( -5.001 -2.888 2.223) 6.188 5.643 ( -6.653 -3.841 -6.500) 10.063 5.668 ( 9.763 5.637 2.287) 11.504 6.246 ( 6.038 3.486 -3.994) 8.036 6.314 ( 9.690 5.595 -3.842) 11.830 7.244 ( -1.483 -0.856 -3.547) 3.939 8.783 ( 6.663 3.847 8.819) 11.704 9.045 ( 19.300 11.143 -4.944) 22.828 11.228 ( -7.724 -4.459 -7.783) 11.837 11.315 ( -2.416 -1.395 -5.805) 6.440 11.969 ( -24.978 -14.421 22.374) 36.503 13.379 ( -14.161 -8.176 -3.692) 16.764 17.766 ( 2.300 1.328 -8.828) 9.219 17.812 ( 8.091 4.671 2.594) 9.696 18.110 ( -2.661 -1.536 -3.658) 4.777 18.182 ( -0.808 -0.466 0.315) 0.985 21.402 ( -38.769 -22.383 40.870) 60.617 21.486 ( -2.498 -1.442 2.691) 3.944 27.327 ( -0.002 -0.001 0.512) 0.512 27.514 ( 0.903 0.521 -1.404) 1.748 36.182 ( 7.970 4.602 4.118) 10.083 36.867 ( -1.124 -0.649 -3.971) 4.178 36.949 ( 3.306 1.909 -0.230) 3.825 38.382 ( 93.437 53.946 -106.796) 151.810 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 17.560 10.138 12.358) 23.745 1.306 ( 22.130 12.777 8.356) 26.885 2.577 ( 2.700 1.559 -1.197) 3.340 2.617 ( 28.290 16.333 13.570) 35.373 3.200 ( 13.463 7.773 3.728) 15.986 4.328 ( -6.596 -3.808 19.741) 21.159 4.647 ( -11.901 -6.871 -0.370) 13.747 5.418 ( -10.743 -6.202 -2.807) 12.718 5.855 ( 6.661 3.846 7.198) 10.535 6.433 ( 10.384 5.995 -0.427) 11.998 6.565 ( 13.576 7.838 -5.090) 16.482 7.189 ( -1.549 -0.895 -3.918) 4.307 9.044 ( 11.967 6.909 10.098) 17.115 9.414 ( 15.506 8.952 -2.086) 18.025 10.961 ( -11.576 -6.684 -8.706) 15.952 11.191 ( -6.168 -3.561 -6.921) 9.931 11.579 ( -18.844 -10.879 16.853) 27.522 12.956 ( -20.927 -12.082 -1.659) 24.222 17.679 ( -5.479 -3.163 -7.132) 9.534 18.009 ( 5.229 3.019 3.447) 6.952 18.055 ( 0.253 0.146 -4.888) 4.897 18.160 ( 0.800 0.462 -0.582) 1.092 21.051 ( -12.258 -7.077 21.458) 25.705 21.415 ( -4.929 -2.846 2.306) 6.141 27.329 ( 0.103 0.059 0.021) 0.121 27.537 ( 1.796 1.037 -2.061) 2.923 36.427 ( 10.830 6.253 4.724) 13.368 36.826 ( -0.343 -0.198 -4.862) 4.879 37.077 ( 7.735 4.466 4.343) 9.932 39.173 ( 28.579 16.500 -66.335) 74.091 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 19.630 11.334 5.822) 23.403 1.828 ( 20.992 12.120 5.289) 24.810 2.710 ( 9.825 5.672 -1.201) 11.408 2.969 ( 3.735 2.156 1.852) 4.694 3.560 ( 11.669 6.737 -1.386) 13.545 4.295 ( -17.784 -10.268 -4.103) 20.941 4.393 ( 3.476 2.007 23.650) 23.988 5.143 ( -13.828 -7.984 3.027) 16.252 6.084 ( 10.594 6.116 8.041) 14.639 6.655 ( 7.902 4.562 3.693) 9.843 6.822 ( 11.217 6.476 -7.215) 14.826 7.139 ( -1.127 -0.651 -3.881) 4.093 9.403 ( 14.701 8.488 10.632) 20.031 9.719 ( 12.480 7.206 -2.524) 14.631 10.654 ( -11.430 -6.599 -7.247) 15.057 10.930 ( -13.662 -7.888 -7.353) 17.405 11.344 ( -7.844 -4.529 10.770) 14.073 12.478 ( -20.729 -11.968 1.723) 23.997 17.489 ( -7.502 -4.331 -6.590) 10.885 17.973 ( -7.092 -4.095 3.773) 9.016 18.082 ( 3.771 2.177 -1.956) 4.774 18.283 ( 7.516 4.339 -3.258) 9.270 20.955 ( -4.730 -2.731 11.113) 12.383 21.294 ( -6.433 -3.714 1.494) 7.576 27.337 ( 0.921 0.532 -0.696) 1.271 27.567 ( 1.608 0.928 -1.879) 2.641 36.670 ( 8.223 4.747 3.568) 10.143 36.807 ( 0.880 0.508 -4.712) 4.820 37.366 ( 14.647 8.456 11.251) 20.313 39.247 ( 5.772 3.332 -45.260) 45.748 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 21.169 12.222 2.836) 24.608 2.285 ( 17.699 10.218 1.054) 20.464 2.969 ( -2.445 -1.412 0.003) 2.824 2.983 ( 12.849 7.418 0.196) 14.838 3.611 ( -2.446 -1.412 -9.327) 9.745 3.868 ( -16.019 -9.248 -3.495) 18.824 4.622 ( 2.998 1.731 19.092) 19.403 4.826 ( -16.708 -9.647 7.392) 20.661 6.404 ( 13.606 7.856 8.784) 18.000 6.817 ( 4.789 2.765 5.945) 8.120 6.964 ( 4.802 2.772 -9.629) 11.112 7.090 ( -1.723 -0.995 -4.058) 4.519 9.778 ( 13.306 7.682 8.624) 17.620 9.936 ( 8.485 4.899 -5.454) 11.214 10.408 ( -7.433 -4.292 -2.740) 9.010 10.573 ( -13.253 -7.652 -8.360) 17.438 11.301 ( -0.764 -0.441 6.697) 6.755 12.073 ( -16.607 -9.588 5.180) 19.863 17.309 ( -4.927 -2.844 -6.447) 8.598 17.796 ( -9.802 -5.659 3.375) 11.811 18.202 ( 6.481 3.742 2.790) 7.987 18.389 ( 3.621 2.091 -6.008) 7.320 20.925 ( -1.925 -1.112 5.367) 5.809 21.155 ( -6.258 -3.613 0.921) 7.284 27.368 ( 2.333 1.347 -1.188) 2.944 27.585 ( 0.538 0.311 -0.986) 1.166 36.816 ( 1.784 1.030 -3.944) 4.449 36.827 ( 4.476 2.584 3.111) 6.032 37.828 ( 19.374 11.185 16.771) 27.959 39.033 ( -5.741 -3.314 -35.352) 35.968 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 11.527 6.655 -5.307) 14.329 2.699 ( 21.974 12.687 1.514) 25.419 2.908 ( -2.469 -1.426 1.419) 3.185 3.057 ( -7.861 -4.539 -6.183) 10.984 3.428 ( -6.848 -3.954 -18.355) 19.986 3.786 ( 10.796 6.233 7.707) 14.656 4.484 ( -17.233 -9.949 10.467) 22.484 4.637 ( -8.579 -4.953 13.511) 16.754 6.748 ( 12.140 7.009 7.872) 16.077 6.935 ( -2.621 -1.513 -10.916) 11.328 6.961 ( 5.337 3.081 8.360) 10.386 7.010 ( -3.450 -1.992 -4.864) 6.287 10.025 ( 5.917 3.416 -1.182) 6.934 10.038 ( 3.726 2.151 -8.087) 9.161 10.284 ( -7.994 -4.615 -10.084) 13.671 10.338 ( 0.713 0.412 8.211) 8.252 11.353 ( 2.699 1.558 3.793) 4.909 11.783 ( -12.318 -7.112 7.484) 16.072 17.225 ( 0.582 0.336 -6.096) 6.133 17.592 ( -9.257 -5.344 3.634) 11.289 18.383 ( -0.746 -0.431 -8.090) 8.135 18.384 ( 7.018 4.052 6.923) 10.658 20.920 ( -0.190 -0.110 1.871) 1.884 21.034 ( -4.768 -2.753 0.697) 5.550 27.428 ( 3.447 1.990 -1.261) 4.175 27.577 ( -1.084 -0.626 0.252) 1.277 36.840 ( 1.720 0.993 -3.080) 3.664 36.910 ( 1.651 0.953 3.122) 3.658 38.376 ( 20.607 11.898 20.037) 31.108 38.659 ( -12.195 -7.041 -29.696) 32.866 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -9.581 -5.532 -12.285) 16.533 2.849 ( -3.803 -2.195 -3.077) 5.361 2.924 ( 3.680 2.125 -2.328) 4.846 3.091 ( -3.478 -2.008 -1.516) 4.293 3.278 ( 19.329 11.160 -17.320) 28.251 4.150 ( 8.798 5.079 -5.598) 11.599 4.200 ( -8.420 -4.861 25.603) 27.387 4.454 ( -11.024 -6.365 11.874) 17.408 6.745 ( -8.837 -5.102 -11.419) 15.314 6.892 ( -4.668 -2.695 -4.848) 7.249 6.991 ( 6.653 3.841 4.848) 9.083 7.143 ( 5.578 3.220 10.317) 12.162 10.001 ( -3.977 -2.296 -11.839) 12.698 10.090 ( 2.954 1.706 -5.287) 6.292 10.144 ( 1.192 0.688 -7.281) 7.410 10.446 ( 2.440 1.409 11.111) 11.462 11.455 ( 5.504 3.178 0.579) 6.381 11.579 ( -9.783 -5.648 8.428) 14.094 17.275 ( 6.430 3.712 -5.949) 9.514 17.446 ( -5.153 -2.975 4.924) 7.723 18.291 ( -3.219 -1.859 -8.289) 9.084 18.557 ( 4.174 2.410 8.747) 9.987 20.942 ( 1.988 1.148 0.011) 2.295 20.947 ( -3.315 -1.914 0.337) 3.843 27.503 ( 3.484 2.012 -0.991) 4.144 27.539 ( -2.605 -1.504 1.349) 3.297 36.853 ( 0.528 0.305 -2.393) 2.469 36.940 ( -0.271 -0.156 3.128) 3.144 38.206 ( -15.211 -8.782 -25.196) 30.714 38.936 ( 19.485 11.249 21.039) 30.803 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -13.089 -7.557 -9.725) 17.973 2.551 ( -17.031 -9.833 -9.440) 21.814 3.027 ( 4.732 2.732 -1.372) 5.634 3.029 ( 2.912 1.681 -13.187) 13.609 3.743 ( 18.431 10.641 8.276) 22.835 3.996 ( -6.680 -3.857 5.694) 9.588 4.366 ( 1.450 0.837 4.357) 4.668 4.375 ( -1.055 -0.609 6.425) 6.540 6.447 ( -12.260 -7.078 -9.904) 17.278 6.767 ( -3.945 -2.278 -4.805) 6.621 7.119 ( 3.225 1.862 3.586) 5.170 7.257 ( -0.427 -0.246 8.105) 8.120 9.784 ( -8.950 -5.167 -11.891) 15.754 10.085 ( -2.359 -1.362 -5.478) 6.118 10.230 ( 8.151 4.706 -3.626) 10.086 10.574 ( 6.102 3.523 8.430) 10.987 11.423 ( -8.051 -4.648 8.794) 12.797 11.626 ( 10.693 6.174 -2.142) 12.532 17.425 ( 0.676 0.391 6.731) 6.776 17.434 ( 9.916 5.725 -6.327) 13.082 18.178 ( -2.967 -1.713 -6.613) 7.448 18.634 ( -1.511 -0.872 7.671) 7.867 20.881 ( -2.775 -1.602 -0.361) 3.225 21.015 ( 4.558 2.632 -0.458) 5.283 27.479 ( -3.305 -1.908 1.928) 4.276 27.566 ( 2.409 1.391 -0.579) 2.841 36.833 ( -1.509 -0.871 -1.739) 2.462 36.938 ( -1.108 -0.640 3.266) 3.507 37.739 ( -15.564 -8.986 -20.734) 27.439 39.449 ( 16.734 9.661 19.584) 27.512 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -14.618 -8.440 -4.719) 17.527 2.111 ( -17.165 -9.910 -8.049) 21.392 2.980 ( -4.294 -2.479 -1.864) 5.297 3.104 ( 2.056 1.187 0.026) 2.375 3.931 ( -1.077 -0.622 0.821) 1.491 4.136 ( 12.148 7.013 12.030) 18.479 4.144 ( -20.851 -12.038 0.911) 24.094 4.600 ( 18.228 10.524 -5.221) 21.686 6.118 ( -12.655 -7.306 -7.603) 16.472 6.667 ( -3.204 -1.850 -4.387) 5.739 7.178 ( -0.830 -0.479 3.337) 3.471 7.197 ( -5.927 -3.422 3.694) 7.777 9.494 ( -12.108 -6.991 -8.012) 16.114 9.916 ( -9.103 -5.256 -6.665) 12.446 10.460 ( 13.069 7.546 -1.110) 15.132 10.826 ( 12.060 6.963 6.405) 15.328 11.315 ( -5.264 -3.039 9.336) 11.141 11.935 ( 18.290 10.560 -3.215) 21.363 17.534 ( 5.254 3.033 7.930) 9.985 17.632 ( 10.210 5.895 -6.835) 13.628 18.105 ( -0.908 -0.524 -4.258) 4.385 18.562 ( -7.476 -4.316 4.693) 9.826 20.813 ( -2.955 -1.706 -0.920) 3.534 21.136 ( 6.085 3.513 -0.214) 7.030 27.417 ( -2.970 -1.715 1.838) 3.891 27.600 ( 0.751 0.434 -0.290) 0.915 36.759 ( -4.880 -2.817 -1.220) 5.765 36.930 ( -1.013 -0.585 3.439) 3.633 37.319 ( -12.780 -7.378 -15.893) 21.688 39.875 ( 13.081 7.552 15.463) 21.616 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -17.514 -10.112 1.904) 20.313 1.703 ( -17.717 -10.229 -0.843) 20.476 2.846 ( -7.629 -4.405 6.059) 10.692 3.071 ( -8.287 -4.784 -1.110) 9.633 3.501 ( -29.753 -17.178 -7.574) 35.180 3.959 ( 1.236 0.713 5.326) 5.514 4.433 ( 10.725 6.192 4.056) 13.031 5.031 ( 20.312 11.727 -2.991) 23.644 5.825 ( -9.735 -5.621 -5.662) 12.587 6.559 ( -4.820 -2.783 -3.480) 6.564 6.962 ( -13.527 -7.810 2.193) 15.773 7.212 ( 0.974 0.563 0.553) 1.254 9.178 ( -13.017 -7.515 -3.301) 15.389 9.650 ( -10.826 -6.250 -6.899) 14.278 10.780 ( 14.919 8.613 0.252) 17.229 11.101 ( 8.552 4.938 -0.335) 9.881 11.329 ( 2.917 1.684 14.584) 14.968 12.405 ( 24.226 13.987 -2.699) 28.104 17.717 ( 6.922 3.997 7.716) 11.110 17.805 ( 7.924 4.575 -6.705) 11.344 18.093 ( 1.225 0.707 -2.870) 3.200 18.365 ( -10.881 -6.282 1.558) 12.660 20.741 ( -3.132 -1.808 0.100) 3.618 21.272 ( 5.783 3.339 0.114) 6.678 27.368 ( -2.038 -1.177 1.236) 2.659 27.597 ( -0.802 -0.463 -0.351) 0.991 36.576 ( -10.556 -6.094 -2.695) 12.483 36.930 ( -0.534 -0.308 3.239) 3.298 37.045 ( -5.605 -3.236 -9.166) 11.220 40.185 ( 9.174 5.296 6.703) 12.536 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -21.034 -12.144 9.307) 26.010 1.278 ( -22.024 -12.715 7.619) 26.547 2.369 ( -46.040 -26.581 -4.246) 53.332 2.732 ( -5.544 -3.201 8.418) 10.575 3.120 ( -6.886 -3.976 -5.057) 9.423 4.044 ( 3.138 1.812 9.237) 9.922 4.655 ( 8.073 4.661 0.255) 9.325 5.430 ( 15.632 9.025 -1.947) 18.155 5.648 ( -3.843 -2.219 -3.021) 5.368 6.419 ( -5.992 -3.459 -2.744) 7.443 6.640 ( -14.745 -8.513 0.000) 17.026 7.240 ( 1.610 0.930 -0.696) 1.985 8.897 ( -10.988 -6.344 0.971) 12.725 9.379 ( -9.956 -5.748 -6.654) 13.282 11.098 ( 12.613 7.282 -0.195) 14.565 11.217 ( 4.822 2.784 -3.160) 6.402 11.553 ( 7.023 4.055 17.307) 19.113 12.950 ( 24.142 13.938 -1.892) 27.941 17.882 ( -0.326 -0.188 -4.743) 4.758 17.895 ( 5.330 3.077 4.427) 7.582 18.119 ( 2.143 1.237 -3.027) 3.909 18.152 ( -5.518 -3.186 -1.132) 6.472 20.695 ( -1.645 -0.950 7.904) 8.129 21.387 ( 4.249 2.453 0.587) 4.941 27.338 ( -1.077 -0.622 0.594) 1.378 27.566 ( -1.597 -0.922 -0.770) 1.998 36.306 ( -10.791 -6.230 -2.966) 12.809 36.936 ( -0.305 -0.176 2.220) 2.248 36.943 ( -1.428 -0.825 -4.319) 4.623 40.315 ( 2.701 1.559 -18.750) 19.008 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 22.975 16.524) 28.300 1.142 ( 0.000 21.360 24.526) 32.523 1.681 ( 0.000 33.848 35.787) 49.259 2.768 ( -0.000 10.082 -5.197) 11.343 2.794 ( 0.000 5.801 7.690) 9.633 4.609 ( 0.000 -15.153 19.421) 24.633 4.821 ( 0.000 -6.076 2.463) 6.556 5.596 ( -0.000 -8.207 -8.556) 11.856 5.612 ( 0.000 6.693 5.240) 8.500 6.206 ( -0.000 4.255 -5.634) 7.060 6.296 ( -0.000 12.194 -4.599) 13.032 7.224 ( -0.000 -1.581 -4.432) 4.705 8.831 ( 0.000 6.736 11.093) 12.978 9.005 ( 0.000 17.083 1.539) 17.152 11.219 ( -0.000 -5.329 -8.694) 10.197 11.240 ( -0.000 -6.977 -7.488) 10.235 12.181 ( 0.000 -14.685 16.004) 21.720 13.347 ( -0.000 -17.398 -4.978) 18.097 17.738 ( -0.000 5.063 -0.476) 5.085 17.814 ( -0.000 5.992 -3.417) 6.898 18.094 ( -0.000 -3.677 -3.308) 4.946 18.169 ( 0.000 -2.039 0.420) 2.081 21.502 ( 0.000 -2.964 3.344) 4.468 21.588 ( 0.000 -45.336 31.863) 55.413 27.334 ( 0.000 0.441 0.780) 0.896 27.505 ( -0.000 0.519 -1.467) 1.556 36.106 ( 0.000 4.928 1.036) 5.036 36.859 ( -0.000 -0.407 -4.010) 4.030 36.923 ( -0.000 2.098 -1.571) 2.621 37.993 ( -0.000 110.056 -79.190) 135.586 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 2.220 16.438 17.645) 24.217 1.372 ( 0.899 25.019 14.253) 28.808 2.422 ( 19.248 22.462 20.020) 35.719 2.697 ( -3.289 11.015 1.949) 11.660 3.073 ( 12.430 6.744 1.379) 14.208 4.504 ( -7.162 -6.629 19.661) 21.950 4.730 ( -5.699 -8.217 2.246) 10.249 5.421 ( -3.802 -11.276 -6.224) 13.429 5.822 ( 10.188 4.867 7.325) 13.459 6.208 ( 3.940 2.019 -2.926) 5.307 6.543 ( 10.404 17.347 -6.716) 21.313 7.177 ( -0.816 -1.220 -4.800) 5.020 9.013 ( 6.084 8.150 12.203) 15.885 9.274 ( 11.010 11.987 1.651) 16.360 11.009 ( -8.199 -8.212 -9.613) 15.069 11.152 ( -0.111 -7.125 -8.425) 11.034 11.941 ( -20.548 -8.961 16.863) 28.051 13.037 ( -9.808 -21.753 -3.989) 24.194 17.752 ( -6.428 3.882 -5.117) 9.087 17.846 ( 5.431 -5.103 -0.766) 7.491 18.092 ( 2.692 4.939 -2.906) 6.331 18.147 ( 0.265 -2.467 0.666) 2.569 21.263 ( -11.522 -19.828 23.045) 32.511 21.459 ( -2.771 -4.486 3.112) 6.123 27.341 ( -0.466 0.951 0.608) 1.221 27.513 ( 1.090 1.199 -2.235) 2.761 36.296 ( 12.187 5.210 2.210) 13.437 36.817 ( -1.450 0.408 -4.725) 4.959 37.002 ( 6.648 3.056 1.167) 7.410 38.703 ( 20.589 53.529 -64.625) 86.404 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 7.734 12.249 11.334) 18.394 1.788 ( 12.111 19.866 8.696) 24.839 2.610 ( 1.472 3.868 -0.699) 4.197 3.010 ( 5.737 10.465 6.370) 13.528 3.404 ( 14.688 8.160 0.580) 16.812 4.465 ( -12.008 -8.130 4.609) 15.216 4.519 ( -3.400 0.797 16.976) 17.331 5.204 ( -5.555 -13.359 -0.811) 14.490 6.060 ( 6.573 9.003 6.121) 12.718 6.377 ( 15.225 -3.039 1.616) 15.609 6.835 ( 7.219 17.187 -7.013) 19.917 7.135 ( -0.772 0.338 -4.391) 4.471 9.310 ( 11.795 8.178 12.298) 18.901 9.571 ( 11.685 7.720 -0.242) 14.006 10.720 ( -9.893 -8.685 -9.695) 16.349 10.996 ( -5.728 -6.743 -8.605) 12.342 11.589 ( -19.680 -5.940 15.005) 25.451 12.607 ( -13.448 -21.321 -1.019) 25.229 17.576 ( -10.029 -2.679 -4.063) 11.148 17.900 ( 6.739 -4.947 0.048) 8.360 18.064 ( -2.064 -3.912 -2.267) 4.970 18.262 ( 4.422 9.901 -1.786) 10.990 21.074 ( -6.944 -7.863 13.719) 17.270 21.357 ( -5.002 -5.483 2.137) 7.724 27.345 ( -0.570 1.681 0.051) 1.776 27.539 ( 1.751 1.406 -2.428) 3.307 36.566 ( 11.452 4.547 2.338) 12.541 36.785 ( -0.236 1.310 -4.889) 5.067 37.237 ( 14.186 5.623 7.383) 16.952 39.006 ( 6.832 23.021 -47.555) 53.274 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 16.156 8.306 0.653) 18.178 2.225 ( 13.470 16.035 8.161) 22.476 2.687 ( 7.857 -5.645 -1.878) 9.855 3.162 ( 0.056 11.312 3.502) 11.842 3.556 ( 2.014 -1.499 -6.009) 6.513 4.097 ( -19.413 -5.882 -0.699) 20.296 4.703 ( 3.480 4.818 18.696) 19.618 4.957 ( -8.953 -14.180 3.899) 17.218 6.319 ( 10.268 9.011 6.504) 15.130 6.601 ( 13.304 -4.907 2.694) 14.433 7.023 ( 1.605 13.022 -6.416) 14.605 7.110 ( -1.733 2.742 -4.028) 5.172 9.662 ( 13.427 6.676 8.638) 17.305 9.807 ( 9.814 5.335 -1.503) 11.271 10.432 ( -7.728 -9.276 -8.336) 14.671 10.738 ( -13.329 -2.965 -7.204) 15.439 11.376 ( -7.609 -3.958 10.959) 13.916 12.197 ( -11.995 -18.621 2.650) 22.307 17.367 ( -8.409 -2.728 -4.046) 9.723 17.873 ( -5.583 -8.264 4.466) 10.927 18.074 ( 9.218 0.291 -3.511) 9.869 18.390 ( 1.396 8.110 -3.635) 8.996 20.988 ( -3.822 -3.392 7.413) 9.004 21.218 ( -5.704 -5.378 1.173) 7.926 27.362 ( 0.349 2.659 -0.469) 2.723 27.568 ( 1.411 1.099 -1.823) 2.554 36.770 ( 7.248 2.709 1.865) 7.960 36.787 ( 1.125 2.144 -4.003) 4.679 37.659 ( 20.887 8.019 13.384) 26.071 38.952 ( -4.911 8.868 -36.580) 37.959 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 19.115 1.786 -10.021) 21.656 2.604 ( 8.987 13.262 -4.239) 16.572 2.713 ( 10.733 -16.429 8.261) 21.292 3.222 ( -8.195 5.172 0.896) 9.732 3.526 ( -5.211 7.371 -10.997) 14.228 3.806 ( -5.087 1.652 5.591) 7.737 4.667 ( -11.506 -13.668 7.363) 19.324 4.798 ( -5.441 -1.361 12.108) 13.344 6.609 ( 11.117 2.957 4.467) 12.341 6.748 ( 8.912 -4.835 2.010) 10.336 7.079 ( -3.557 5.328 -3.551) 7.324 7.101 ( -2.243 10.446 -2.838) 11.055 9.887 ( 7.542 1.483 -6.137) 9.836 10.025 ( 5.491 8.368 1.609) 10.137 10.226 ( -0.919 -9.193 -4.916) 10.466 10.481 ( -11.008 1.483 -2.442) 11.372 11.334 ( 0.436 -3.619 7.067) 7.951 11.880 ( -8.335 -15.739 5.884) 18.757 17.223 ( -3.929 -0.274 -4.042) 5.643 17.687 ( -7.976 -8.058 2.836) 11.687 18.251 ( 9.794 1.074 -0.288) 9.857 18.433 ( -0.941 5.533 -2.979) 6.354 20.944 ( -1.930 -1.389 3.301) 4.068 21.086 ( -4.822 -4.191 0.715) 6.429 27.406 ( 1.698 3.484 -0.734) 3.945 27.584 ( 0.170 0.352 -0.647) 0.756 36.814 ( 1.513 2.498 -3.329) 4.429 36.893 ( 3.777 1.206 2.411) 4.640 38.199 ( 23.600 8.533 16.770) 30.183 38.678 ( -12.476 1.412 -29.635) 32.185 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 8.700 -16.164 -16.909) 24.957 2.611 ( 10.266 -11.364 -8.255) 17.397 3.020 ( -0.108 7.305 -1.063) 7.383 3.095 ( 2.593 3.173 11.864) 12.552 3.310 ( -13.279 11.891 -15.702) 23.755 4.050 ( 10.536 10.594 1.232) 14.992 4.411 ( -9.607 -8.901 14.965) 19.887 4.659 ( -11.498 -5.676 10.594) 16.633 6.681 ( 0.961 -7.075 -6.805) 9.864 6.821 ( 2.549 -6.241 1.148) 6.839 7.081 ( -2.851 10.504 -0.872) 10.919 7.198 ( 1.892 9.121 6.323) 11.259 9.940 ( 2.869 0.337 -10.635) 11.021 10.073 ( -0.028 3.283 -7.366) 8.065 10.129 ( -4.619 1.276 -7.770) 9.129 10.462 ( 3.018 -0.028 10.280) 10.714 11.369 ( 4.707 -4.028 3.673) 7.202 11.660 ( -5.541 -13.407 8.032) 16.582 17.196 ( 2.166 2.198 -4.425) 5.395 17.511 ( -5.575 -6.353 3.489) 9.144 18.300 ( -2.370 1.239 -7.482) 7.945 18.538 ( 6.333 3.196 6.634) 9.712 20.931 ( 0.162 0.016 0.793) 0.810 20.985 ( -3.522 -2.738 0.520) 4.492 27.473 ( 2.422 3.476 -0.856) 4.322 27.572 ( -1.488 -0.382 0.689) 1.684 36.842 ( 0.712 2.068 -2.393) 3.242 36.952 ( 1.089 0.356 2.522) 2.770 38.278 ( -16.244 -2.835 -24.753) 29.743 38.772 ( 23.136 7.999 17.924) 30.340 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 2.447 -22.762 -14.362) 27.025 2.664 ( -15.183 -8.697 -8.887) 19.625 2.706 ( 9.154 -7.561 -4.773) 12.796 3.254 ( -7.356 20.518 -11.349) 24.574 3.554 ( 21.313 11.785 7.834) 25.584 4.071 ( -5.580 -3.424 -2.305) 6.940 4.396 ( -3.044 -4.791 10.118) 11.602 4.544 ( -5.217 4.557 14.896) 16.428 6.503 ( -7.708 -6.716 -8.801) 13.490 6.742 ( -2.197 -7.000 -1.820) 7.559 7.151 ( -0.199 6.297 2.398) 6.741 7.340 ( -0.033 6.353 6.825) 9.325 9.832 ( -7.635 -1.077 -12.141) 14.382 10.072 ( -0.186 2.432 -6.668) 7.101 10.127 ( 5.798 3.990 -5.887) 9.176 10.565 ( 3.326 0.993 8.299) 8.996 11.452 ( 6.518 -5.692 2.373) 8.973 11.514 ( -1.272 -8.308 7.662) 11.373 17.282 ( 7.647 2.603 -5.384) 9.708 17.434 ( -0.107 -3.549 5.259) 6.346 18.211 ( -4.407 1.943 -6.863) 8.384 18.675 ( 2.038 0.971 7.167) 7.514 20.913 ( -2.920 -1.783 0.287) 3.433 20.966 ( 3.124 1.352 -0.245) 3.413 27.514 ( -1.154 -0.742 0.166) 1.382 27.559 ( 0.375 2.571 0.589) 2.664 36.846 ( -1.007 0.942 -1.575) 2.093 36.971 ( -0.570 0.294 2.633) 2.710 37.839 ( -17.498 -4.503 -20.002) 26.954 39.304 ( 20.917 6.337 15.905) 27.031 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.738 -18.121 -9.036) 20.262 2.207 ( -18.718 -12.131 -3.478) 22.575 2.827 ( 10.228 -4.469 -5.051) 12.251 3.270 ( -6.930 15.762 -7.633) 18.835 3.951 ( -3.592 -1.948 -1.774) 4.455 4.053 ( 17.192 9.630 11.522) 22.827 4.365 ( 1.767 -2.894 0.899) 3.508 4.489 ( -12.326 1.435 8.633) 15.117 6.242 ( -11.773 -4.322 -5.809) 13.821 6.626 ( -1.929 -7.068 -2.524) 7.749 7.201 ( -0.436 2.609 1.847) 3.226 7.359 ( -6.905 3.611 3.983) 8.751 9.592 ( -11.390 -3.602 -7.926) 14.336 9.992 ( -6.849 -0.677 -6.949) 9.781 10.303 ( 11.732 6.280 -3.732) 13.821 10.728 ( 9.188 4.634 5.110) 11.489 11.374 ( -2.663 -10.177 10.050) 14.549 11.687 ( 16.525 2.198 -1.028) 16.702 17.429 ( 10.811 0.685 -5.897) 12.334 17.491 ( 5.577 -1.122 6.443) 8.595 18.144 ( -3.221 4.161 -4.999) 7.258 18.676 ( -5.371 -1.403 4.727) 7.291 20.850 ( -3.089 -1.367 0.346) 3.395 21.060 ( 5.874 2.192 -0.188) 6.272 27.462 ( -3.054 -1.611 1.332) 3.701 27.599 ( 0.597 2.190 -0.366) 2.300 36.807 ( -3.329 -0.531 -0.782) 3.461 36.973 ( -1.275 0.907 2.812) 3.218 37.417 ( -16.273 -4.370 -15.127) 22.643 39.746 ( 17.192 4.062 10.418) 20.509 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -6.354 -8.764 0.577) 10.840 1.781 ( -14.497 -14.790 0.887) 20.729 2.870 ( 1.053 -4.631 0.257) 4.756 3.231 ( -8.636 8.743 -5.680) 13.539 3.827 ( -15.503 -1.231 -11.048) 19.076 4.074 ( -17.597 -5.934 15.877) 24.433 4.349 ( 7.321 3.134 7.284) 10.792 4.727 ( 23.518 6.520 -2.167) 24.501 5.984 ( -13.174 0.135 -2.574) 13.424 6.504 ( -2.136 -9.238 -1.946) 9.679 7.208 ( -3.753 0.960 -0.410) 3.896 7.228 ( -10.774 2.782 1.390) 11.214 9.315 ( -12.976 -4.876 -2.364) 14.061 9.785 ( -11.970 -0.306 -6.543) 13.645 10.587 ( 15.525 6.444 -2.064) 16.936 10.971 ( 10.878 3.372 0.609) 11.405 11.335 ( 2.549 -6.876 12.548) 14.534 12.070 ( 24.582 6.095 -1.754) 25.387 17.588 ( 11.785 -1.327 -5.860) 13.228 17.644 ( 8.629 -0.292 6.938) 11.076 18.131 ( -1.736 5.971 -4.370) 7.601 18.526 ( -11.327 -2.736 1.733) 11.781 20.788 ( -3.242 -1.059 1.888) 3.898 21.191 ( 6.856 2.044 0.233) 7.158 27.405 ( -2.744 -1.250 1.130) 3.220 27.610 ( -0.773 0.924 -0.787) 1.439 36.697 ( -8.617 -1.970 -1.013) 8.897 36.976 ( -1.360 1.380 2.260) 2.977 37.086 ( -10.532 -2.106 -8.844) 13.913 40.053 ( 12.452 1.254 0.042) 12.515 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -18.666 -12.850 9.749) 24.669 1.568 ( -12.670 -3.899 5.146) 14.220 2.782 ( -5.745 -7.664 1.004) 9.630 2.969 ( -31.991 -0.402 -3.788) 32.217 3.306 ( -22.318 0.547 -2.149) 22.428 4.053 ( 2.382 -1.210 13.505) 13.767 4.534 ( 9.757 1.099 1.446) 9.924 5.164 ( 21.292 4.468 -1.156) 21.787 5.803 ( -10.728 5.798 0.844) 12.224 6.356 ( -3.009 -9.672 -1.167) 10.197 6.962 ( -19.240 2.963 -2.100) 19.580 7.217 ( 0.819 0.147 -1.200) 1.460 9.056 ( -12.700 -3.061 2.727) 13.345 9.542 ( -13.800 1.689 -4.876) 14.733 10.893 ( 15.465 2.967 -1.885) 15.860 11.126 ( 7.103 1.477 -3.340) 7.987 11.470 ( 10.697 -5.900 14.119) 18.671 12.582 ( 28.665 6.365 -1.526) 29.403 17.737 ( 10.479 -1.517 -4.456) 11.488 17.815 ( 7.491 -0.985 4.607) 8.849 18.138 ( -1.172 4.816 -5.561) 7.450 18.295 ( -12.699 -1.555 0.408) 12.800 20.758 ( -1.502 -0.330 7.821) 7.971 21.321 ( 6.130 1.136 0.791) 6.284 27.360 ( -1.849 -0.805 0.593) 2.102 27.586 ( -1.845 0.093 -1.325) 2.273 36.475 ( -13.627 -0.698 -1.519) 13.729 36.930 ( -1.850 -1.491 -5.556) 6.043 36.986 ( -2.913 2.785 3.742) 5.500 40.152 ( 4.183 -2.367 -21.115) 21.655 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 18.480 9.670) 20.857 1.718 ( 0.000 14.217 18.986) 23.719 2.657 ( 0.000 32.166 23.799) 40.013 2.891 ( -0.000 10.593 -7.122) 12.764 2.936 ( 0.000 0.909 1.882) 2.090 4.593 ( 0.000 -8.106 18.157) 19.884 4.717 ( 0.000 -6.568 4.812) 8.142 5.293 ( -0.000 -13.979 -7.178) 15.714 5.794 ( 0.000 4.957 11.891) 12.883 6.252 ( -0.000 6.902 -7.317) 10.059 6.564 ( -0.000 19.394 -5.121) 20.059 7.146 ( -0.000 -0.775 -5.289) 5.345 9.116 ( 0.000 8.746 13.183) 15.820 9.320 ( 0.000 11.825 5.007) 12.842 10.942 ( -0.000 -14.297 -9.790) 17.327 11.023 ( -0.000 -4.206 -9.955) 10.807 12.120 ( 0.000 -8.935 14.335) 16.892 12.847 ( -0.000 -27.033 -4.789) 27.454 17.736 ( -0.000 -5.896 -4.483) 7.407 17.853 ( -0.000 1.765 -2.513) 3.070 18.090 ( -0.000 9.467 -2.879) 9.895 18.112 ( 0.000 -5.029 2.290) 5.526 21.259 ( 0.000 -19.458 18.523) 26.865 21.448 ( 0.000 -6.147 3.179) 6.921 27.363 ( 0.000 1.766 0.977) 2.018 27.502 ( -0.000 1.135 -2.704) 2.932 36.257 ( 0.000 9.621 -0.134) 9.622 36.825 ( -0.000 0.982 -3.035) 3.190 36.959 ( -0.000 2.725 -0.744) 2.825 38.806 ( -0.000 51.784 -51.031) 72.703 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 1.945 14.303 8.594) 16.799 1.875 ( -0.820 10.181 14.977) 18.129 2.754 ( -10.089 5.018 -3.956) 11.942 2.997 ( 7.988 4.661 4.182) 10.150 3.278 ( 12.807 17.768 4.813) 22.425 4.577 ( -4.734 -6.724 12.510) 14.971 4.656 ( -3.740 -0.780 10.081) 10.781 5.101 ( -1.448 -15.981 -3.363) 16.395 6.013 ( 10.164 5.587 10.404) 15.581 6.278 ( 0.686 7.356 -2.822) 7.908 6.815 ( 8.271 17.720 -7.178) 20.831 7.123 ( 0.341 1.373 -4.680) 4.889 9.309 ( 5.501 7.601 13.121) 16.131 9.503 ( 6.208 8.008 3.772) 10.812 10.692 ( -5.198 -14.409 -10.743) 18.710 10.935 ( -0.852 -4.279 -9.157) 10.143 11.945 ( -17.593 -6.745 13.668) 23.277 12.516 ( -5.116 -26.230 -3.086) 26.902 17.630 ( -1.916 -11.187 -2.376) 11.596 17.820 ( -1.126 4.717 -4.633) 6.707 18.039 ( -2.366 -6.359 1.806) 7.021 18.263 ( 5.689 11.113 -2.331) 12.701 21.144 ( -4.026 -11.392 12.853) 17.640 21.372 ( -2.727 -7.299 2.378) 8.146 27.381 ( -0.857 2.515 0.790) 2.772 27.511 ( 1.441 1.278 -2.994) 3.560 36.440 ( 9.257 8.440 -0.605) 12.541 36.797 ( -2.001 1.821 -3.109) 4.121 37.090 ( 11.097 3.549 3.219) 12.087 39.012 ( 0.187 33.414 -39.953) 52.084 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.196 10.289 5.907) 11.865 2.142 ( 14.014 4.047 12.827) 19.424 2.619 ( -4.291 -2.472 -7.957) 9.372 3.186 ( 8.786 5.808 0.186) 10.534 3.537 ( 0.013 9.000 2.261) 9.279 4.357 ( -16.132 -5.318 3.604) 17.364 4.750 ( 3.293 -0.382 9.800) 10.345 4.922 ( -2.066 -12.884 4.204) 13.709 6.277 ( 9.356 6.400 5.442) 12.574 6.418 ( 7.470 4.283 4.154) 9.561 7.039 ( 4.991 11.040 -7.310) 14.150 7.147 ( 0.678 6.686 -4.272) 7.963 9.565 ( 9.683 4.856 8.369) 13.689 9.708 ( 8.883 5.042 4.323) 11.092 10.403 ( -6.371 -12.574 -10.851) 17.789 10.810 ( -4.555 -3.200 -8.021) 9.763 11.633 ( -18.684 -4.004 12.294) 22.721 12.159 ( -7.468 -22.651 -0.211) 23.851 17.453 ( -6.329 -7.472 -0.154) 9.793 17.891 ( 4.018 2.451 1.769) 5.028 17.921 ( -1.442 -6.959 -4.076) 8.193 18.421 ( 2.490 9.416 -3.848) 10.472 21.048 ( -3.678 -5.800 7.877) 10.451 21.249 ( -4.262 -7.245 1.294) 8.504 27.396 ( -0.792 3.165 0.397) 3.286 27.540 ( 1.974 1.441 -2.688) 3.633 36.664 ( 9.048 4.933 -0.868) 10.342 36.783 ( -0.250 2.714 -3.213) 4.213 37.429 ( 20.057 5.008 9.147) 22.607 39.024 ( -7.531 19.176 -31.405) 37.560 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 6.089 5.164 -3.734) 8.814 2.388 ( 6.987 -19.086 -1.386) 20.372 2.576 ( 9.205 7.414 6.012) 13.261 3.398 ( 2.094 8.738 5.156) 10.359 3.577 ( -1.082 12.402 -5.453) 13.591 4.028 ( -17.361 -4.602 4.337) 18.477 4.666 ( -3.085 -16.080 2.487) 16.561 4.892 ( -2.115 -1.983 5.938) 6.608 6.519 ( 7.899 5.152 4.512) 10.455 6.587 ( 7.533 -0.750 4.424) 8.768 7.143 ( 1.656 7.161 -2.187) 7.669 7.208 ( -1.255 10.344 -6.061) 12.054 9.757 ( 7.443 2.565 -3.298) 8.536 9.972 ( 12.152 2.130 10.136) 15.967 10.153 ( -4.708 -5.793 -9.958) 12.445 10.635 ( -8.745 -1.659 -6.500) 11.022 11.407 ( -10.123 -3.716 9.374) 14.288 11.841 ( -6.111 -19.708 2.657) 20.804 17.296 ( -6.079 -2.534 0.380) 6.597 17.740 ( -6.768 -8.961 1.566) 11.338 18.084 ( 11.582 3.658 -1.049) 12.191 18.483 ( -1.170 5.978 -5.110) 7.951 20.984 ( -2.724 -2.806 4.144) 5.697 21.117 ( -4.072 -5.796 0.629) 7.111 27.426 ( 0.264 3.886 0.148) 3.897 27.571 ( 1.362 1.042 -1.810) 2.493 36.801 ( 1.693 3.317 -3.147) 4.876 36.829 ( 5.730 2.185 0.214) 6.136 37.925 ( 25.274 5.154 12.699) 28.751 38.827 ( -14.974 10.008 -25.064) 30.864 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.028 -8.588 -15.212) 17.469 2.258 ( 11.014 -17.392 -5.033) 21.193 2.925 ( 15.129 6.346 12.021) 20.339 3.357 ( -16.620 3.638 2.904) 17.259 3.584 ( -11.845 12.735 -8.867) 19.522 3.990 ( 9.430 8.197 4.692) 13.346 4.477 ( -3.699 -12.075 6.803) 14.345 4.780 ( -6.495 -8.450 2.337) 10.911 6.604 ( -0.136 -0.803 -1.373) 1.596 6.712 ( 5.514 -4.615 3.573) 8.029 7.224 ( -2.842 9.937 -2.510) 10.636 7.274 ( 2.516 8.812 1.753) 9.331 9.848 ( 3.788 2.801 -7.929) 9.223 10.018 ( 2.463 -3.249 -7.681) 8.696 10.220 ( 0.365 8.243 1.361) 8.363 10.466 ( -2.902 -3.237 1.456) 4.584 11.301 ( -1.738 -6.332 5.637) 8.654 11.603 ( -2.885 -17.798 5.128) 18.746 17.213 ( -3.063 1.170 -0.301) 3.293 17.552 ( -5.993 -8.084 1.690) 10.205 18.290 ( 5.355 4.614 -2.382) 7.459 18.489 ( 2.545 1.975 -0.980) 3.367 20.944 ( -1.423 -1.033 1.598) 2.376 21.013 ( -3.045 -3.730 0.423) 4.834 27.479 ( 1.151 4.148 -0.172) 4.308 27.583 ( 0.101 0.213 -0.501) 0.554 36.842 ( 1.041 3.163 -2.197) 3.989 36.925 ( 3.582 0.735 0.594) 3.705 38.437 ( 2.075 4.368 -4.976) 6.938 38.527 ( 4.884 4.114 -1.437) 6.545 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.193 -20.060 -14.169) 24.560 2.346 ( 15.141 -7.899 -6.861) 18.405 2.956 ( -24.109 -5.569 -1.570) 24.794 3.345 ( 19.230 7.081 8.606) 22.226 3.548 ( -9.499 20.352 -6.643) 23.422 4.107 ( -3.003 -1.047 -2.696) 4.169 4.437 ( -1.770 -5.772 7.035) 9.270 4.664 ( 2.090 -1.729 8.802) 9.211 6.517 ( -5.304 -3.114 -4.643) 7.706 6.703 ( -0.688 -6.378 1.170) 6.521 7.250 ( -2.565 6.626 0.385) 7.116 7.422 ( 1.960 7.555 3.966) 8.755 9.865 ( -0.880 3.729 -10.155) 10.854 10.045 ( 4.056 2.857 -5.850) 7.671 10.144 ( -8.249 4.947 -6.217) 11.453 10.537 ( 5.502 -1.242 7.588) 9.454 11.281 ( 5.231 -7.735 2.839) 9.760 11.448 ( 0.050 -15.490 6.791) 16.914 17.209 ( 1.219 2.265 -2.150) 3.352 17.425 ( -1.865 -5.990 3.332) 7.104 18.283 ( -4.586 4.068 -6.239) 8.747 18.633 ( 7.777 0.564 4.712) 9.111 20.939 ( 0.880 0.233 0.202) 0.933 20.942 ( -2.392 -2.061 0.398) 3.183 27.526 ( -0.105 2.205 -0.827) 2.357 27.582 ( -0.035 0.808 0.931) 1.233 36.867 ( -0.398 2.208 -1.327) 2.607 36.975 ( 1.516 0.331 0.695) 1.700 38.063 ( -21.459 1.803 -14.947) 26.214 39.025 ( 25.238 2.084 11.360) 27.755 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 5.173 -15.781 -7.751) 18.327 2.473 ( -22.442 -8.239 0.993) 23.928 2.530 ( 14.833 -1.944 -7.080) 16.550 3.530 ( -10.116 16.676 -8.177) 21.149 3.816 ( 23.452 6.519 5.680) 24.995 3.997 ( -4.783 -1.926 -0.881) 5.231 4.331 ( -2.331 -7.405 3.746) 8.620 4.746 ( -5.314 2.153 8.255) 10.051 6.352 ( -8.068 -1.872 -3.228) 8.889 6.607 ( -3.579 -5.532 0.300) 6.595 7.263 ( -2.373 3.053 1.222) 4.055 7.493 ( -2.457 4.014 2.133) 5.167 9.741 ( -11.213 2.048 -6.410) 13.077 10.054 ( -3.709 2.830 -6.464) 7.972 10.166 ( 7.967 4.771 -3.892) 10.069 10.660 ( 6.177 2.401 3.549) 7.518 11.302 ( 2.419 -12.770 6.229) 14.412 11.435 ( 11.566 -5.044 2.666) 12.897 17.269 ( 5.499 1.345 -3.971) 6.915 17.415 ( 3.754 -3.858 5.402) 7.626 18.221 ( -3.819 4.559 -4.844) 7.670 18.730 ( 0.772 -0.971 3.236) 3.466 20.888 ( -2.528 -1.143 0.631) 2.846 20.988 ( 4.144 1.028 -0.087) 4.270 27.501 ( -2.575 -0.621 0.110) 2.651 27.612 ( 0.613 2.028 0.145) 2.123 36.853 ( -2.406 0.887 -0.591) 2.631 36.996 ( 0.349 0.402 0.183) 0.563 37.656 ( -20.993 1.668 -8.910) 22.866 39.476 ( 21.730 -0.338 5.583) 22.439 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 5.928 -5.105 2.247) 8.139 2.041 ( -21.345 -5.799 4.863) 22.647 2.730 ( 11.110 -0.436 -4.344) 11.937 3.441 ( -10.336 8.750 -7.442) 15.452 3.901 ( -3.786 -0.373 -3.825) 5.395 4.249 ( 8.389 -6.547 -3.747) 11.282 4.332 ( 13.610 5.954 10.992) 18.479 4.571 ( -15.784 -1.690 7.322) 17.481 6.193 ( -10.032 1.979 0.845) 10.260 6.491 ( -4.653 -4.267 0.148) 6.315 7.241 ( -2.329 0.413 -0.132) 2.369 7.437 ( -7.894 1.533 -0.640) 8.067 9.517 ( -14.164 0.935 -0.052) 14.195 9.942 ( -8.538 2.642 -6.215) 10.886 10.378 ( 13.351 4.304 -3.011) 14.348 10.833 ( 9.104 2.795 -0.038) 9.524 11.246 ( 2.559 -11.647 8.058) 14.393 11.710 ( 21.152 0.853 0.720) 21.182 17.376 ( 8.784 0.463 -4.672) 9.960 17.522 ( 8.163 -2.290 6.930) 10.950 18.192 ( -2.339 4.411 -4.483) 6.710 18.670 ( -6.854 -2.042 0.567) 7.174 20.841 ( -2.702 -0.588 1.865) 3.335 21.091 ( 6.570 0.905 0.196) 6.635 27.446 ( -3.010 -0.960 0.385) 3.183 27.628 ( -0.441 1.003 -0.739) 1.322 36.796 ( -4.820 0.080 -0.206) 4.825 36.989 ( -0.786 -0.598 -2.752) 2.924 37.325 ( -17.928 4.539 -0.264) 18.496 39.789 ( 16.472 -3.138 -4.208) 17.288 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -12.602 0.731 6.549) 14.220 1.739 ( -8.813 1.793 11.264) 14.413 2.790 ( -1.328 -2.273 -3.189) 4.135 3.271 ( -12.151 2.068 -7.334) 14.343 3.727 ( -16.883 1.513 -9.823) 19.592 4.160 ( -9.108 -2.583 15.971) 18.566 4.382 ( 4.180 -5.097 3.517) 7.471 4.822 ( 23.129 3.003 2.854) 23.497 6.063 ( -11.114 4.564 5.075) 13.043 6.380 ( -5.343 0.366 0.271) 5.362 7.200 ( -2.392 -0.288 -2.552) 3.510 7.252 ( -12.385 -1.016 -2.349) 12.647 9.305 ( -14.388 3.010 5.267) 15.614 9.775 ( -11.876 4.544 -4.248) 13.406 10.636 ( 15.183 0.614 -3.384) 15.568 10.982 ( 8.447 -0.738 -3.056) 9.013 11.277 ( 8.033 -9.210 8.155) 14.692 12.142 ( 27.000 1.845 0.730) 27.073 17.522 ( 10.624 -0.228 -4.234) 11.439 17.693 ( 9.067 -0.485 6.553) 11.198 18.165 ( -1.856 2.181 -5.921) 6.577 18.492 ( -11.253 -1.431 -0.752) 11.368 20.816 ( -1.593 -0.127 5.414) 5.645 21.216 ( 7.164 -0.041 0.645) 7.193 27.390 ( -2.562 -0.896 0.057) 2.714 27.611 ( -1.516 0.223 -1.466) 2.121 36.681 ( -9.529 1.299 -0.190) 9.619 36.922 ( -2.379 -1.459 -5.676) 6.325 37.169 ( -10.563 7.242 7.616) 14.901 39.904 ( 8.535 -5.670 -19.664) 22.173 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 9.946 2.464) 10.246 2.056 ( 0.000 1.701 13.999) 14.102 2.772 ( -0.000 -12.456 -10.638) 16.381 2.934 ( -0.000 3.010 -0.573) 3.064 3.490 ( 0.000 29.305 12.734) 31.952 4.624 ( 0.000 -5.511 12.718) 13.861 4.721 ( 0.000 -0.925 6.749) 6.812 4.934 ( -0.000 -16.204 -1.304) 16.256 6.046 ( 0.000 7.142 10.155) 12.415 6.338 ( -0.000 8.674 -2.508) 9.029 6.893 ( -0.000 18.250 -6.128) 19.252 7.118 ( -0.000 4.027 -3.631) 5.422 9.388 ( 0.000 4.386 12.360) 13.115 9.544 ( 0.000 5.763 4.011) 7.021 10.508 ( -0.000 -18.420 -10.872) 21.389 10.879 ( -0.000 -0.582 -7.927) 7.948 12.107 ( 0.000 -6.239 11.972) 13.500 12.276 ( -0.000 -25.445 -3.340) 25.664 17.494 ( -0.000 -11.432 -5.913) 12.871 17.834 ( -0.000 -1.045 -3.200) 3.366 18.036 ( 0.000 -5.949 4.954) 7.742 18.325 ( -0.000 15.929 -3.189) 16.245 21.127 ( 0.000 -9.939 10.020) 14.113 21.328 ( 0.000 -8.645 1.922) 8.856 27.425 ( 0.000 3.439 1.120) 3.617 27.490 ( -0.000 0.801 -3.338) 3.433 36.454 ( -0.000 11.131 -2.039) 11.316 36.844 ( 0.000 1.937 1.301) 2.334 37.011 ( 0.000 2.866 0.041) 2.866 39.155 ( -0.000 29.636 -31.642) 43.354 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 8.667 5.498 1.536) 10.378 2.032 ( -3.058 -8.537 7.416) 11.714 2.571 ( -2.685 -9.753 -8.754) 13.378 3.047 ( 9.574 2.564 -0.316) 9.917 3.774 ( -4.435 20.645 10.991) 23.806 4.545 ( -9.458 -6.666 4.410) 12.383 4.669 ( 0.625 -12.055 -0.741) 12.094 4.883 ( 1.618 -1.525 9.165) 9.431 6.203 ( 6.911 4.261 4.399) 9.234 6.453 ( 1.744 10.402 4.798) 11.587 7.037 ( 3.098 10.663 -6.929) 13.089 7.187 ( 1.433 10.418 -2.626) 10.839 9.512 ( 5.006 0.482 8.819) 10.153 9.644 ( 5.339 2.166 3.606) 6.797 10.269 ( -1.091 -16.243 -10.049) 19.131 10.821 ( -3.190 0.547 -5.871) 6.704 11.931 ( -12.786 -9.805 6.290) 17.297 12.053 ( -5.296 -14.826 2.215) 15.899 17.379 ( 2.196 -11.124 -2.747) 11.666 17.804 ( 1.137 -1.798 -5.966) 6.334 17.971 ( -3.948 -3.845 6.305) 8.374 18.478 ( 1.111 13.930 -3.828) 14.490 21.072 ( -1.801 -6.520 6.807) 9.597 21.231 ( -2.109 -8.746 1.056) 9.058 27.446 ( -1.257 2.785 0.351) 3.076 27.507 ( 2.045 1.862 -2.549) 3.761 36.594 ( 5.262 8.747 -2.788) 10.582 36.826 ( -3.097 2.440 0.240) 3.950 37.197 ( 15.575 2.949 4.911) 16.595 39.212 ( -6.560 21.632 -24.893) 33.626 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 6.083 -20.916 0.104) 21.783 2.190 ( 1.792 3.528 -5.083) 6.442 2.492 ( 6.562 -1.751 5.809) 8.937 3.288 ( 14.920 4.909 -0.802) 15.728 3.870 ( -10.309 16.879 9.137) 21.787 4.265 ( -14.235 -9.795 1.797) 17.373 4.548 ( -1.536 -11.785 0.852) 11.915 4.906 ( -1.543 -2.713 0.183) 3.126 6.405 ( 10.417 1.463 4.599) 11.480 6.600 ( 0.633 7.967 5.387) 9.638 7.151 ( 3.811 7.884 -3.727) 9.517 7.293 ( -0.162 10.899 -4.336) 11.731 9.641 ( 7.418 -0.084 0.550) 7.439 9.796 ( 9.661 -5.292 5.252) 12.203 10.097 ( 1.297 -6.765 -5.907) 9.073 10.717 ( -6.786 0.863 -4.830) 8.374 11.656 ( -13.999 -6.095 6.256) 16.500 11.791 ( -10.003 -12.768 1.785) 16.318 17.317 ( 0.664 -6.937 2.049) 7.264 17.730 ( -2.359 -7.452 -4.577) 9.058 17.978 ( 4.227 2.409 3.699) 6.112 18.561 ( -2.664 9.899 -5.229) 11.508 21.016 ( -2.171 -3.713 3.991) 5.868 21.113 ( -2.651 -7.167 0.414) 7.653 27.460 ( 0.032 2.434 0.325) 2.456 27.549 ( 1.529 2.342 -2.073) 3.481 36.744 ( 5.747 4.937 -2.240) 7.901 36.820 ( -0.390 2.979 -0.779) 3.104 37.598 ( 23.705 2.473 8.809) 25.409 39.093 ( -14.759 14.384 -19.407) 28.308 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 10.887 -25.076 -4.265) 27.668 2.073 ( -8.524 1.557 -8.835) 12.375 2.772 ( 15.414 1.201 13.264) 20.371 3.575 ( 4.757 7.260 -4.147) 9.620 3.895 ( -10.809 19.119 4.386) 22.397 3.978 ( -5.008 -6.394 7.216) 10.864 4.406 ( -1.792 -11.256 1.330) 11.475 4.766 ( -5.303 -9.774 -6.438) 12.849 6.582 ( 7.730 -2.833 3.787) 9.062 6.658 ( -3.180 4.015 2.198) 5.574 7.294 ( 4.909 8.308 -0.295) 9.654 7.344 ( -2.272 8.344 -3.329) 9.267 9.772 ( 6.510 3.508 -3.890) 8.355 9.848 ( 6.737 -7.873 -3.321) 10.881 10.191 ( 10.695 0.283 5.035) 11.824 10.561 ( -10.279 1.725 -4.509) 11.356 11.407 ( -12.512 -4.686 5.253) 14.357 11.523 ( -6.668 -14.101 1.714) 15.692 17.278 ( -2.175 -1.421 3.361) 4.248 17.566 ( -5.047 -8.151 -1.859) 9.766 18.169 ( 11.889 3.215 2.364) 12.540 18.533 ( -5.520 5.559 -5.763) 9.725 20.969 ( -1.888 -1.840 1.874) 3.235 21.017 ( -2.047 -4.562 0.206) 5.004 27.499 ( 1.209 2.648 0.593) 2.970 27.577 ( 0.542 1.572 -1.544) 2.269 36.843 ( 1.871 3.127 -1.469) 3.929 36.868 ( 3.774 2.177 -0.688) 4.410 38.101 ( 27.558 0.917 9.529) 29.173 38.813 ( -21.046 9.067 -14.472) 27.104 ======================= Grid point 205 (78/189) ======================= q-point: ( 0.67 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -4.565 -14.912 -5.153) 16.425 2.012 ( 9.384 -4.346 -7.496) 12.772 3.116 ( 16.927 1.147 10.333) 19.865 3.329 ( -23.083 -2.918 -2.319) 23.382 3.912 ( -12.014 20.652 0.538) 23.899 4.122 ( 2.070 2.281 0.498) 3.120 4.381 ( 8.498 -4.347 5.182) 10.862 4.536 ( 0.948 -13.806 -4.816) 14.653 6.598 ( -6.710 0.910 -0.731) 6.811 6.642 ( 2.534 -4.753 2.022) 5.753 7.356 ( -2.911 5.376 -0.471) 6.131 7.451 ( 4.204 6.093 1.079) 7.481 9.851 ( 2.697 4.555 -5.116) 7.362 9.942 ( 8.102 2.133 -4.946) 9.729 10.364 ( -13.338 4.716 -4.054) 14.717 10.406 ( 11.528 -3.249 5.850) 13.329 11.218 ( -5.324 -6.151 3.008) 8.674 11.325 ( -1.641 -14.126 3.067) 14.548 17.249 ( -2.852 1.637 1.476) 3.604 17.414 ( -3.088 -6.821 0.290) 7.494 18.375 ( -0.027 6.050 -1.887) 6.337 18.492 ( 6.270 -0.706 -0.350) 6.319 20.940 ( -0.758 -0.573 0.569) 1.107 20.956 ( -1.554 -2.274 0.199) 2.761 27.549 ( 0.717 2.712 0.073) 2.806 27.583 ( 0.149 0.176 -0.344) 0.414 36.884 ( 0.526 2.459 -0.742) 2.622 36.940 ( 3.016 0.836 -0.569) 3.181 38.430 ( -23.013 6.526 -8.769) 25.477 38.624 ( 26.820 -1.646 6.659) 27.684 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -2.392 -3.951 0.169) 4.621 2.178 ( 16.981 -1.989 -6.445) 18.272 2.865 ( -26.130 -2.068 0.425) 26.215 3.492 ( 21.372 -0.678 5.736) 22.139 3.854 ( -14.027 14.232 -5.190) 20.646 4.071 ( -5.679 0.214 0.604) 5.715 4.293 ( -1.148 -8.634 -0.214) 8.712 4.720 ( 12.468 -1.529 3.092) 12.936 6.471 ( -7.897 0.799 -0.381) 7.946 6.615 ( -1.445 -3.611 1.367) 4.122 7.343 ( -3.347 2.112 1.053) 4.095 7.539 ( 1.000 1.801 -0.091) 2.062 9.893 ( -3.245 6.847 -4.643) 8.886 10.069 ( 5.817 4.079 -3.253) 7.814 10.174 ( -9.944 2.656 -2.468) 10.584 10.571 ( 7.968 -0.883 2.120) 8.292 11.162 ( 3.145 -6.637 2.457) 7.744 11.239 ( 4.823 -9.488 3.303) 11.145 17.235 ( -0.682 2.121 -1.258) 2.558 17.351 ( 1.503 -4.765 3.110) 5.885 18.322 ( -5.780 4.655 -3.239) 8.097 18.652 ( 8.153 -1.753 1.228) 8.429 20.916 ( -1.662 -0.914 0.380) 1.934 20.945 ( 1.628 0.167 0.102) 1.640 27.542 ( -2.427 0.557 -0.386) 2.520 27.609 ( 1.557 0.614 0.272) 1.696 36.895 ( -1.267 1.340 -0.158) 1.850 36.979 ( 1.487 0.255 -1.018) 1.820 38.049 ( -24.083 6.070 -2.974) 25.014 39.072 ( 25.513 -4.019 1.575) 25.876 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 5.202 8.552 9.882) 14.066 2.378 ( -7.591 -0.804 -0.301) 7.639 2.514 ( 0.888 3.977 -1.142) 4.232 3.665 ( -10.527 2.193 -6.593) 12.613 3.872 ( 16.826 -1.423 -0.578) 16.896 3.980 ( -3.928 -0.780 -0.179) 4.008 4.264 ( 3.670 -1.291 2.830) 4.811 4.775 ( -4.015 -4.998 2.836) 7.011 6.372 ( -7.202 3.548 3.368) 8.706 6.553 ( -3.922 -0.453 1.163) 4.116 7.291 ( -3.796 -0.892 0.123) 3.901 7.515 ( -2.910 -1.989 -2.243) 4.178 9.795 ( -13.340 5.774 2.068) 14.682 10.056 ( -5.405 3.487 -5.382) 8.387 10.214 ( 8.289 2.517 -1.631) 8.815 10.697 ( 8.174 -1.599 -1.346) 8.437 11.146 ( 1.624 -6.246 3.993) 7.589 11.398 ( 16.361 -0.675 2.040) 16.502 17.265 ( 3.390 1.836 -2.892) 4.819 17.406 ( 6.497 -2.688 5.718) 9.063 18.265 ( -4.329 3.494 -2.568) 6.127 18.701 ( 0.367 -2.915 -1.417) 3.262 20.884 ( -1.941 -0.256 1.111) 2.251 21.001 ( 4.593 0.142 0.241) 4.601 27.494 ( -3.256 -0.170 -0.094) 3.262 27.629 ( 0.544 -0.178 -0.533) 0.782 36.867 ( -3.106 0.665 0.287) 3.189 36.979 ( -0.428 -0.628 -2.757) 2.860 37.736 ( -21.301 8.239 4.756) 23.329 39.399 ( 20.591 -6.604 -7.125) 22.768 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 3.045 16.730 14.345) 22.247 2.092 ( -20.208 4.465 7.606) 22.049 2.722 ( 8.378 4.113 -4.598) 10.405 3.442 ( -12.036 -1.172 -6.559) 13.757 3.830 ( -7.035 -1.061 -8.780) 11.301 4.044 ( 10.864 -9.560 -4.052) 15.027 4.505 ( 18.859 1.108 7.924) 20.486 4.582 ( -13.719 -5.211 9.828) 17.662 6.308 ( -9.408 4.476 7.277) 12.708 6.508 ( -4.236 5.835 1.263) 7.320 7.212 ( -2.638 -2.243 -1.859) 3.930 7.380 ( -7.392 -4.765 -4.266) 9.775 9.637 ( -14.785 6.930 7.378) 17.918 9.964 ( -7.395 5.049 -4.819) 10.169 10.384 ( 11.692 -0.482 -3.536) 12.225 10.784 ( 8.467 -7.279 -3.086) 11.585 11.165 ( 2.622 -0.942 3.915) 4.805 11.746 ( 22.181 0.948 2.837) 22.381 17.350 ( 6.939 0.402 -3.875) 7.958 17.567 ( 9.935 -0.230 7.165) 12.251 18.205 ( -4.137 1.694 -3.467) 5.657 18.610 ( -5.792 -2.795 -3.138) 7.155 20.862 ( -1.456 0.033 3.034) 3.366 21.096 ( 6.544 -0.735 0.525) 6.606 27.432 ( -3.403 -0.434 -0.421) 3.456 27.620 ( -0.489 -0.616 -1.163) 1.404 36.811 ( -4.824 1.200 0.718) 5.022 36.924 ( -2.420 -1.154 -4.483) 5.223 37.548 ( -17.168 10.772 11.442) 23.275 39.551 ( 13.611 -8.483 -18.775) 24.693 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -0.000 -30.789 -6.349) 31.437 1.962 ( -0.000 3.316 -2.891) 4.399 2.527 ( 0.000 -1.751 0.874) 1.957 2.977 ( 0.000 0.780 1.937) 2.088 4.080 ( 0.000 17.132 13.513) 21.820 4.467 ( -0.000 -18.133 -5.487) 18.945 4.626 ( 0.000 -1.272 1.226) 1.767 4.935 ( 0.000 2.225 10.535) 10.767 6.188 ( 0.000 2.647 1.013) 2.834 6.581 ( 0.000 11.463 7.181) 13.526 7.069 ( -0.000 8.465 -6.235) 10.513 7.283 ( -0.000 12.732 -1.587) 12.831 9.491 ( 0.000 -5.196 8.173) 9.685 9.615 ( 0.000 -0.190 0.320) 0.372 10.067 ( -0.000 -15.168 -7.775) 17.045 10.849 ( -0.000 2.725 -3.000) 4.053 11.852 ( -0.000 -14.806 -1.495) 14.882 12.117 ( 0.000 -3.378 7.885) 8.578 17.219 ( -0.000 -10.240 -4.887) 11.346 17.750 ( -0.000 -3.651 -3.095) 4.787 17.992 ( 0.000 -4.422 5.585) 7.124 18.606 ( -0.000 15.686 -3.324) 16.034 21.057 ( 0.000 -5.392 5.004) 7.356 21.164 ( 0.000 -9.068 0.523) 9.083 27.468 ( -0.000 0.487 -3.030) 3.068 27.511 ( 0.000 3.981 1.009) 4.107 36.627 ( -0.000 9.383 -3.701) 10.086 36.921 ( 0.000 1.439 6.539) 6.696 37.064 ( 0.000 2.296 0.270) 2.312 39.361 ( -0.000 18.873 -19.320) 27.009 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 6.016 -35.442 -6.677) 36.564 2.097 ( 12.492 3.644 -2.607) 13.271 2.488 ( -4.098 -1.072 5.011) 6.561 3.084 ( 10.510 0.248 1.490) 10.618 4.213 ( -5.939 4.360 9.442) 11.976 4.254 ( -2.967 -10.824 -0.551) 11.237 4.585 ( -5.174 2.232 -1.954) 5.964 4.947 ( -5.399 -0.711 2.554) 6.014 6.279 ( 7.430 0.948 2.383) 7.860 6.717 ( -0.460 8.786 5.804) 10.540 7.145 ( 3.003 7.591 -4.353) 9.252 7.387 ( -0.480 10.547 -2.452) 10.839 9.503 ( 5.548 -7.234 3.711) 9.843 9.645 ( 4.543 -2.888 0.624) 5.419 9.938 ( 3.510 -9.327 -3.734) 10.643 10.827 ( -4.621 3.130 -1.695) 5.833 11.690 ( -4.677 -9.806 -0.424) 10.873 12.008 ( -12.913 -2.355 4.937) 14.024 17.167 ( 6.241 -7.638 -1.833) 10.032 17.684 ( -1.806 -4.242 -3.271) 5.652 17.976 ( 0.134 -2.475 4.926) 5.514 18.706 ( -3.248 12.730 -3.731) 13.658 21.024 ( -1.023 -3.667 3.098) 4.908 21.072 ( -1.006 -7.531 0.102) 7.598 27.464 ( 0.589 0.671 -1.654) 1.880 27.557 ( 0.478 3.436 0.046) 3.469 36.715 ( 2.750 6.760 -3.084) 7.922 36.884 ( -4.321 1.580 2.784) 5.378 37.290 ( 18.329 0.910 5.223) 19.080 39.360 ( -9.337 14.510 -14.545) 22.568 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 14.536 -27.012 -1.517) 30.712 2.217 ( -6.178 4.155 -7.579) 10.624 2.570 ( 14.051 -2.869 13.727) 19.851 3.353 ( 19.828 3.003 -1.583) 20.117 4.011 ( -6.153 -11.473 -2.498) 13.256 4.250 ( -5.555 4.593 10.183) 12.476 4.476 ( -11.865 5.909 1.008) 13.293 4.761 ( -9.690 -6.882 -7.304) 13.950 6.437 ( 8.677 -1.642 2.840) 9.276 6.774 ( -3.224 4.458 2.512) 6.048 7.270 ( 5.354 6.531 -2.124) 8.708 7.441 ( -1.867 7.243 -2.303) 7.826 9.586 ( 10.433 -5.531 -0.004) 11.808 9.707 ( 5.343 -0.720 0.281) 5.399 9.984 ( 10.392 -5.551 1.429) 11.869 10.742 ( -8.201 3.758 -1.693) 9.178 11.494 ( -8.019 -8.138 0.199) 11.427 11.726 ( -18.787 -2.124 2.123) 19.026 17.231 ( 6.605 -4.011 1.604) 7.893 17.568 ( -4.835 -4.549 -2.789) 7.201 18.035 ( 6.680 -0.354 3.436) 7.520 18.696 ( -7.530 8.448 -4.051) 12.020 20.985 ( -1.346 -2.563 1.290) 3.170 20.998 ( -0.935 -4.192 0.191) 4.300 27.487 ( 1.816 0.724 -0.268) 1.974 27.590 ( 0.050 2.594 -0.659) 2.677 36.809 ( 3.551 3.727 -1.612) 5.394 36.870 ( -0.570 1.738 0.990) 2.080 37.690 ( 24.957 -1.199 6.317) 25.772 39.185 ( -17.999 10.528 -10.003) 23.127 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 14.795 -11.385 2.910) 18.894 2.022 ( -12.196 2.406 -8.065) 14.818 2.873 ( 16.305 -4.548 11.639) 20.543 3.610 ( -8.170 4.465 -7.207) 11.774 3.930 ( 19.706 -5.168 4.050) 20.771 4.233 ( -1.197 -4.973 2.036) 5.506 4.350 ( -14.588 14.511 5.467) 21.290 4.463 ( -9.920 -8.954 -8.869) 16.039 6.545 ( 5.542 -3.061 1.309) 6.465 6.722 ( -6.246 0.895 -0.364) 6.320 7.410 ( 5.545 3.547 -1.049) 6.665 7.450 ( -2.536 3.961 -0.146) 4.705 9.736 ( 11.118 -1.323 -0.297) 11.200 9.836 ( 6.714 5.735 -1.197) 8.911 10.152 ( 13.810 -6.336 3.841) 15.672 10.611 ( -10.781 4.273 -2.204) 11.805 11.281 ( -7.668 -7.258 0.580) 10.575 11.400 ( -16.440 -2.861 0.196) 16.688 17.287 ( 1.888 -1.728 1.686) 3.065 17.424 ( -5.902 -2.998 -1.687) 6.831 18.224 ( 13.293 -0.258 2.443) 13.519 18.596 ( -9.363 5.226 -2.898) 11.108 20.949 ( -0.824 -1.460 0.279) 1.699 20.957 ( -1.048 -1.425 0.119) 1.773 27.531 ( 2.533 0.400 0.404) 2.596 27.600 ( -0.809 1.555 -0.673) 1.878 36.884 ( 2.357 1.716 -0.149) 2.920 36.899 ( 1.813 1.340 -0.004) 2.255 38.144 ( 27.878 -3.665 4.113) 28.417 38.880 ( -23.531 8.020 -4.991) 25.357 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.191 4.663 8.308) 9.530 1.912 ( 5.816 3.410 -9.597) 11.728 3.148 ( 18.086 -7.289 5.812) 20.348 3.290 ( -23.787 1.929 -1.492) 23.912 4.100 ( -6.914 -1.026 -2.905) 7.569 4.176 ( -2.392 -10.603 -5.907) 12.371 4.323 ( -5.466 9.761 5.155) 12.318 4.391 ( 16.676 1.520 1.448) 16.808 6.588 ( 2.239 -1.844 0.393) 2.927 6.606 ( -6.776 0.279 -0.548) 6.803 7.425 ( -3.649 0.911 1.908) 4.217 7.497 ( 3.522 -1.149 -1.795) 4.116 9.914 ( 7.388 3.506 1.465) 8.308 9.992 ( 5.255 6.287 -2.837) 8.671 10.321 ( 6.374 -4.369 4.267) 8.827 10.456 ( -6.504 1.773 -3.010) 7.383 11.138 ( -2.945 -3.373 0.900) 4.567 11.170 ( -6.101 -2.062 -0.767) 6.486 17.288 ( 0.122 -1.500 0.651) 1.639 17.314 ( -4.095 -0.409 -0.684) 4.172 18.453 ( 12.728 -1.695 0.659) 12.858 18.478 ( -8.307 3.891 -0.629) 9.194 20.932 ( -0.532 -0.302 0.060) 0.615 20.934 ( -0.525 -0.302 -0.060) 0.609 27.575 ( 2.184 -0.396 0.274) 2.236 27.586 ( -1.727 0.652 -0.273) 1.866 36.917 ( 0.151 0.834 0.722) 1.113 36.945 ( 2.259 0.294 -0.755) 2.400 38.531 ( -24.924 7.712 1.127) 26.115 38.574 ( 27.222 -6.225 -1.096) 27.946 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.089 17.220 13.149) 21.667 2.149 ( 17.863 6.832 -8.412) 20.893 2.904 ( -24.426 4.194 2.953) 24.959 3.391 ( 18.760 -11.657 -2.004) 22.177 3.942 ( -8.724 0.466 0.687) 8.763 4.052 ( -2.396 -3.682 -0.451) 4.415 4.293 ( -8.130 7.083 -0.044) 10.783 4.625 ( 12.117 -8.908 -1.742) 15.139 6.529 ( -4.590 3.519 2.879) 6.460 6.600 ( -0.323 1.272 0.138) 1.320 7.354 ( -5.127 -2.369 1.766) 5.918 7.484 ( 0.318 -5.275 -3.360) 6.262 10.018 ( -2.337 6.571 1.612) 7.158 10.115 ( 6.000 1.866 -0.486) 6.302 10.207 ( -12.433 2.294 0.803) 12.669 10.502 ( 9.077 -6.634 -2.545) 11.528 11.124 ( 0.353 3.184 0.279) 3.216 11.190 ( 8.780 1.559 0.794) 8.953 17.266 ( -2.061 2.860 -2.040) 4.073 17.309 ( 4.422 -2.783 3.135) 6.093 18.389 ( -6.795 3.306 0.954) 7.617 18.592 ( 6.955 -3.604 -2.467) 8.213 20.915 ( -1.403 0.399 0.293) 1.488 20.946 ( 2.052 -0.286 0.140) 2.076 27.548 ( -3.005 0.293 -0.002) 3.019 27.600 ( 1.594 -1.502 -0.296) 2.210 36.914 ( -1.507 0.195 1.001) 1.820 36.962 ( 0.463 -0.558 -1.808) 1.948 38.232 ( -22.813 9.654 8.309) 26.128 38.908 ( 23.567 -8.697 -8.821) 26.624 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 5.374 22.342 16.088) 28.051 2.442 ( 3.148 9.914 -5.515) 11.773 2.644 ( -8.364 7.430 4.232) 11.961 3.460 ( 5.008 -12.179 -8.334) 15.584 3.832 ( -2.957 -1.170 -3.615) 4.815 3.956 ( -10.411 -2.538 0.566) 10.731 4.282 ( 8.360 -0.837 1.587) 8.550 4.637 ( 2.462 -11.158 3.797) 12.040 6.534 ( -5.418 6.721 7.047) 11.144 6.619 ( -1.070 6.196 0.641) 6.320 7.233 ( -4.932 -4.686 -0.380) 6.814 7.376 ( -2.839 -7.942 -5.053) 9.832 9.986 ( -12.584 6.897 8.830) 16.850 10.071 ( -4.167 3.355 -5.028) 7.342 10.219 ( 6.019 0.078 -2.176) 6.401 10.546 ( 7.580 -9.466 -3.710) 12.681 11.185 ( 0.372 6.551 0.270) 6.567 11.453 ( 16.636 2.871 3.597) 17.261 17.271 ( 1.284 1.910 -3.464) 4.159 17.427 ( 9.167 -1.375 5.498) 10.777 18.312 ( -6.587 2.778 1.025) 7.222 18.595 ( 0.721 -4.310 -4.922) 6.582 20.898 ( -1.374 0.435 1.156) 1.847 20.997 ( 4.412 -0.881 0.484) 4.525 27.491 ( -3.857 0.104 -0.478) 3.888 27.601 ( 0.853 -1.801 -0.548) 2.067 36.886 ( -2.649 0.428 1.298) 2.981 36.930 ( -1.656 -1.013 -2.973) 3.551 38.042 ( -19.619 12.219 14.665) 27.373 39.097 ( 17.874 -10.396 -18.189) 27.538 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.000 -38.539 -2.135) 38.598 1.976 ( -0.000 1.571 -0.742) 1.737 2.548 ( 0.000 -1.797 4.918) 5.236 2.994 ( 0.000 -1.024 1.257) 1.622 4.101 ( -0.000 -11.817 -5.485) 13.027 4.347 ( 0.000 -3.975 9.103) 9.933 4.679 ( -0.000 11.002 -4.751) 11.984 5.037 ( 0.000 -0.340 4.311) 4.324 6.225 ( 0.000 0.065 2.147) 2.148 6.820 ( 0.000 5.748 3.790) 6.884 7.165 ( -0.000 6.554 -3.965) 7.660 7.474 ( -0.000 8.038 -2.062) 8.298 9.390 ( 0.000 -8.678 3.916) 9.521 9.592 ( 0.000 -0.992 0.268) 1.028 9.810 ( -0.000 -6.845 -1.148) 6.941 10.886 ( -0.000 2.095 -0.902) 2.281 11.660 ( -0.000 -4.860 -0.691) 4.909 12.120 ( 0.000 -2.152 2.411) 3.231 17.029 ( -0.000 -5.074 -2.007) 5.457 17.658 ( -0.000 -2.565 -1.813) 3.141 17.965 ( 0.000 -3.506 4.035) 5.346 18.839 ( -0.000 10.848 -2.980) 11.250 21.011 ( -0.000 -6.099 -0.120) 6.100 21.013 ( 0.000 -2.899 1.897) 3.465 27.455 ( -0.000 0.804 -1.708) 1.888 27.585 ( 0.000 2.456 0.452) 2.497 36.742 ( -0.000 6.110 -2.968) 6.793 37.007 ( 0.000 -1.330 8.848) 8.947 37.099 ( -0.000 1.122 -0.257) 1.151 39.510 ( -0.000 12.331 -10.399) 16.130 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 13.185 -19.929 12.081) 26.776 2.140 ( 13.426 2.575 0.216) 13.673 2.513 ( -2.709 -3.032 6.562) 7.719 3.078 ( 11.344 -1.382 -0.617) 11.445 3.973 ( -2.213 -4.920 -5.083) 7.413 4.299 ( -1.568 -6.524 0.908) 6.771 4.727 ( -4.924 9.018 -0.529) 10.288 4.917 ( -13.101 -2.426 0.643) 13.340 6.300 ( 6.809 -1.280 2.458) 7.351 6.854 ( -1.591 1.249 0.668) 2.131 7.233 ( 3.511 4.580 -2.765) 6.399 7.516 ( -1.108 4.746 -1.924) 5.240 9.395 ( 6.415 -4.819 3.360) 8.698 9.629 ( 4.056 0.361 2.187) 4.622 9.806 ( 5.302 -3.354 1.061) 6.363 10.861 ( -3.909 1.115 -1.448) 4.315 11.570 ( -6.204 -2.629 -0.834) 6.789 11.991 ( -12.785 -2.168 -0.413) 12.974 17.062 ( 7.675 -1.936 -0.024) 7.916 17.605 ( -3.343 -1.091 -1.340) 3.763 17.967 ( 2.183 -2.552 3.157) 4.609 18.867 ( -5.034 6.554 -2.749) 8.710 20.963 ( -0.150 -3.018 -0.100) 3.023 20.990 ( -0.607 -1.991 0.667) 2.185 27.466 ( 1.008 0.927 -0.550) 1.475 27.606 ( 0.215 1.256 -0.134) 1.282 36.795 ( 1.642 4.018 -1.831) 4.711 36.929 ( -4.606 -0.748 3.828) 6.036 37.327 ( 18.695 -2.104 3.953) 19.223 39.487 ( -10.293 9.591 -6.354) 15.437 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 15.770 2.944 11.873) 19.958 2.214 ( -8.030 4.063 -6.537) 11.123 2.612 ( 13.515 -7.764 12.832) 20.189 3.370 ( 24.604 0.729 -2.352) 24.727 3.864 ( -6.873 1.401 -4.141) 8.145 4.195 ( -1.795 -7.206 -3.784) 8.335 4.558 ( -14.403 -6.626 -3.831) 16.310 4.754 ( -10.850 10.929 5.931) 16.503 6.412 ( 7.225 -2.401 0.376) 7.623 6.797 ( -3.812 -2.418 -1.908) 4.901 7.329 ( 5.282 1.234 -1.695) 5.683 7.516 ( -1.706 1.759 -0.316) 2.471 9.541 ( 11.162 0.467 2.874) 11.535 9.758 ( 7.710 2.026 3.942) 8.893 9.921 ( 9.417 -1.119 2.199) 9.735 10.768 ( -6.721 0.250 -2.078) 7.039 11.403 ( -10.280 -0.513 -1.270) 10.371 11.684 ( -18.797 -2.280 -2.386) 19.085 17.186 ( 6.787 -1.111 -0.357) 6.887 17.519 ( -5.881 1.253 -0.824) 6.069 18.045 ( 8.032 -1.498 2.894) 8.668 18.784 ( -8.322 2.933 -1.482) 8.947 20.946 ( -0.203 -0.135 -0.079) 0.256 20.963 ( -0.867 -1.111 -0.287) 1.438 27.497 ( 1.795 0.352 0.316) 1.856 27.615 ( 0.090 0.411 -0.354) 0.550 36.851 ( 2.394 1.593 -0.654) 2.949 36.901 ( -0.249 -0.431 2.594) 2.641 37.676 ( 24.088 -4.775 2.403) 24.673 39.301 ( -18.520 7.589 -1.753) 20.092 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 14.328 11.938 3.749) 19.023 2.048 ( -12.271 7.868 -2.938) 14.870 2.804 ( 14.792 -11.685 4.920) 19.483 3.672 ( -17.786 6.716 -3.649) 19.359 3.802 ( 24.717 -7.185 -2.985) 25.913 4.083 ( 1.108 -6.493 -2.167) 6.934 4.292 ( -8.679 -2.067 -0.460) 8.933 4.708 ( -11.209 10.922 4.815) 16.374 6.499 ( 5.960 -1.536 -1.612) 6.362 6.681 ( -4.402 -3.146 -2.496) 5.959 7.396 ( 4.275 -3.033 -1.778) 5.535 7.492 ( -2.481 -0.746 2.287) 3.456 9.780 ( 11.898 3.807 2.561) 12.752 9.940 ( 8.441 1.317 4.789) 9.794 10.101 ( 10.751 -0.256 0.819) 10.785 10.626 ( -8.967 -0.082 -1.006) 9.024 11.236 ( -9.282 3.206 -2.137) 10.050 11.348 ( -15.395 -0.514 -3.078) 15.708 17.235 ( 1.867 -1.861 -1.144) 2.874 17.432 ( -6.470 3.643 -1.569) 7.589 18.223 ( 12.163 -1.786 2.361) 12.519 18.658 ( -8.419 1.643 0.955) 8.631 20.934 ( -0.659 -0.634 -0.652) 1.123 20.951 ( -0.717 1.474 -0.242) 1.657 27.530 ( 2.094 -1.027 0.291) 2.351 27.613 ( -0.644 0.155 0.105) 0.671 36.898 ( 2.603 -0.278 -0.094) 2.620 36.920 ( 0.915 -0.292 2.027) 2.243 38.046 ( 25.969 -7.241 -2.129) 27.043 39.024 ( -22.586 7.332 3.936) 24.070 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 15.310 14.347 -4.963) 21.561 2.015 ( -4.516 16.455 4.706) 17.701 2.948 ( 16.871 -14.302 -2.607) 22.270 3.362 ( -22.365 4.736 1.546) 22.913 3.907 ( 4.427 -9.527 3.133) 10.963 4.122 ( -3.223 2.692 -8.271) 9.276 4.262 ( 12.027 -8.083 4.164) 15.077 4.612 ( -13.612 7.835 0.456) 15.712 6.573 ( 4.557 1.045 -2.715) 5.407 6.603 ( -1.224 0.151 -0.227) 1.255 7.388 ( 1.615 -6.807 -2.485) 7.425 7.429 ( -4.862 -3.372 3.666) 6.961 10.001 ( 8.155 2.224 3.419) 9.118 10.091 ( 3.503 3.288 3.171) 5.756 10.240 ( 9.811 -6.465 -3.832) 12.359 10.463 ( -11.954 2.011 2.548) 12.387 11.138 ( -1.080 2.228 -1.578) 2.936 11.222 ( -4.494 10.039 -3.030) 11.409 17.242 ( 1.993 -1.385 1.053) 2.645 17.358 ( -5.521 4.593 -3.071) 7.811 18.395 ( 9.748 -3.715 0.002) 10.432 18.553 ( -7.112 1.834 2.600) 7.791 20.921 ( 0.432 -0.578 -0.526) 0.893 20.948 ( -1.471 1.884 -0.236) 2.402 27.547 ( 1.967 -2.485 0.051) 3.169 27.595 ( -1.910 0.231 0.347) 1.955 36.926 ( 1.192 -1.145 0.484) 1.722 36.935 ( 0.483 -0.694 0.628) 1.053 38.365 ( 24.340 -9.496 -8.850) 27.585 38.757 ( -22.222 9.191 10.603) 26.282 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 18.140 14.167 -12.230) 26.065 2.256 ( 3.199 22.794 12.230) 26.065 3.068 ( 16.633 -14.797 -6.413) 23.167 3.068 ( -21.131 7.006 6.413) 23.167 3.954 ( -10.117 0.511 -15.923) 18.872 3.954 ( 5.501 -8.506 15.923) 18.872 4.390 ( -10.546 -0.026 -8.285) 13.412 4.390 ( 5.251 -9.146 8.285) 13.412 6.651 ( 3.500 4.506 -3.062) 6.475 6.651 ( 2.152 5.284 3.062) 6.475 7.296 ( -1.403 -9.288 -3.413) 9.994 7.296 ( -7.342 -5.860 3.413) 9.994 10.126 ( -1.908 2.654 -3.347) 4.679 10.126 ( 3.253 -0.326 3.347) 4.679 10.300 ( 7.198 -7.089 -6.050) 11.776 10.300 ( -9.738 2.689 6.050) 11.776 11.275 ( -0.070 10.932 -3.264) 11.409 11.275 ( 9.502 5.405 3.264) 11.409 17.308 ( -3.653 4.510 -3.953) 7.022 17.308 ( 5.732 -0.908 3.953) 7.022 18.470 ( 3.261 -3.812 -5.854) 7.709 18.470 ( -4.932 0.919 5.854) 7.709 20.936 ( 2.186 -0.824 0.029) 2.336 20.936 ( -1.807 1.481 -0.029) 2.336 27.553 ( -0.854 -1.237 -0.937) 1.771 27.553 ( -0.644 -1.358 0.937) 1.771 36.923 ( -0.311 -1.230 -2.159) 2.504 36.923 ( -0.910 -0.884 2.159) 2.504 38.577 ( 20.136 -11.073 -17.085) 28.635 38.577 ( -19.658 11.902 17.085) 28.635 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.000 9.013 33.925) 35.101 2.037 ( 0.000 2.063 5.331) 5.716 2.539 ( 0.000 -3.015 3.203) 4.399 2.958 ( -0.000 -1.908 -2.257) 2.956 3.957 ( -0.000 3.258 -4.790) 5.793 4.234 ( -0.000 -6.566 -4.863) 8.171 4.834 ( 0.000 3.158 1.821) 3.645 4.998 ( -0.000 -4.306 -3.192) 5.360 6.241 ( 0.000 -1.245 3.264) 3.493 6.854 ( -0.000 -3.326 -1.818) 3.791 7.223 ( -0.000 2.480 -2.403) 3.453 7.544 ( -0.000 1.271 -1.987) 2.359 9.328 ( 0.000 -1.653 4.978) 5.245 9.617 ( 0.000 1.386 4.057) 4.287 9.762 ( 0.000 1.357 2.581) 2.916 10.885 ( -0.000 -0.530 -2.419) 2.477 11.609 ( -0.000 0.049 -1.206) 1.207 12.068 ( -0.000 -2.887 -3.449) 4.498 16.998 ( 0.000 2.195 1.866) 2.881 17.630 ( -0.000 1.378 -1.171) 1.808 17.936 ( 0.000 -2.819 2.468) 3.747 18.940 ( -0.000 1.857 -2.427) 3.055 20.949 ( -0.000 0.086 -0.065) 0.107 20.979 ( -0.000 -1.561 -0.335) 1.597 27.469 ( 0.000 1.463 0.165) 1.472 27.605 ( -0.000 -0.504 -0.448) 0.675 36.809 ( -0.000 3.201 -1.568) 3.565 37.031 ( 0.000 -5.991 9.342) 11.098 37.100 ( -0.000 -0.199 -1.217) 1.234 39.635 ( -0.000 7.630 -2.887) 8.158 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 2.290 20.788 25.042) 32.626 2.205 ( 10.327 1.612 4.121) 11.235 2.500 ( -1.881 -4.448 5.155) 7.064 3.034 ( 12.915 -0.462 -2.609) 13.184 3.983 ( -2.782 10.799 -4.428) 11.999 4.128 ( -1.492 -6.589 -6.604) 9.448 4.710 ( -12.181 -6.598 -2.616) 14.098 4.936 ( -1.275 0.047 -0.212) 1.294 6.285 ( 4.732 -2.177 1.267) 5.361 6.779 ( -1.131 -6.809 -3.439) 7.711 7.254 ( 3.067 -0.113 -1.311) 3.337 7.528 ( -0.187 -1.874 -1.161) 2.213 9.413 ( 7.068 1.250 4.560) 8.504 9.690 ( 3.927 0.901 6.001) 7.228 9.852 ( 4.077 6.178 4.006) 8.417 10.834 ( -3.376 -0.762 -3.051) 4.614 11.557 ( -6.556 2.802 -1.561) 7.299 11.906 ( -11.994 -3.230 -5.851) 13.731 17.096 ( 4.765 4.194 2.305) 6.753 17.618 ( -3.449 3.699 -1.581) 5.299 17.949 ( 3.380 -2.087 2.799) 4.860 18.887 ( -4.066 -2.298 -1.548) 4.921 20.957 ( -0.479 -0.569 -1.102) 1.330 20.965 ( -0.122 2.460 -0.272) 2.478 27.488 ( 0.253 0.956 0.822) 1.286 27.599 ( 0.948 -1.358 -0.587) 1.757 36.834 ( 0.830 1.476 -1.172) 2.059 36.930 ( -3.342 -3.822 5.388) 7.404 37.287 ( 17.180 -4.832 1.627) 17.921 39.609 ( -9.987 5.888 1.112) 11.646 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 4.159 17.211 4.085) 18.172 2.308 ( -6.750 10.088 2.519) 12.396 2.487 ( 9.172 -14.260 3.386) 17.289 3.344 ( 22.110 -1.953 1.004) 22.219 3.969 ( -7.214 4.229 -5.993) 10.288 4.022 ( -4.365 2.395 -1.289) 5.143 4.428 ( -10.308 -3.516 -2.192) 11.110 4.904 ( -2.942 -0.096 -0.202) 2.951 6.355 ( 6.715 -2.687 -2.334) 7.600 6.664 ( -1.600 -7.223 -3.493) 8.181 7.293 ( 3.436 -3.077 -0.495) 4.639 7.502 ( 0.257 -3.638 1.311) 3.876 9.614 ( 12.324 1.301 2.022) 12.556 9.815 ( 6.911 -1.410 7.032) 9.960 10.033 ( 4.984 8.628 3.974) 10.728 10.741 ( -5.559 0.798 -1.520) 5.818 11.445 ( -10.641 5.907 -2.931) 12.518 11.594 ( -16.155 -1.046 -6.067) 17.288 17.201 ( 1.830 3.194 0.362) 3.699 17.570 ( -5.968 5.358 -3.591) 8.787 18.054 ( 8.355 -1.173 4.724) 9.670 18.772 ( -5.129 -3.639 0.629) 6.320 20.931 ( -0.537 -0.835 -1.897) 2.141 20.991 ( -0.992 4.329 -0.241) 4.447 27.497 ( 0.556 -1.219 0.322) 1.378 27.608 ( 1.115 -0.637 0.427) 1.353 36.850 ( 1.817 -1.396 -0.224) 2.302 36.912 ( 0.597 -1.953 4.419) 4.868 37.560 ( 21.586 -7.241 -1.773) 22.837 39.449 ( -16.827 5.475 6.174) 18.741 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 10.122 13.862 -12.094) 20.997 2.309 ( -5.524 10.344 7.651) 14.002 2.544 ( 11.813 -10.268 -4.131) 16.188 3.575 ( 6.342 -9.722 3.747) 12.198 3.868 ( -7.914 7.135 -0.418) 10.664 3.956 ( 1.159 -6.007 2.903) 6.771 4.317 ( -5.333 7.187 -3.795) 9.721 4.819 ( -5.727 -1.913 -2.314) 6.467 6.439 ( 8.043 -1.681 -5.040) 9.639 6.579 ( 0.775 -4.053 -2.204) 4.678 7.293 ( 1.474 -5.447 -0.182) 5.646 7.468 ( -1.611 -4.877 3.850) 6.419 9.837 ( 14.162 -2.536 -3.021) 14.701 9.956 ( 7.773 -3.189 7.120) 11.014 10.177 ( 0.563 6.450 2.788) 7.049 10.667 ( -7.110 4.223 2.477) 8.632 11.225 ( -10.299 -1.057 -5.992) 11.962 11.439 ( -8.737 13.810 -3.110) 16.635 17.237 ( -0.413 2.604 0.790) 2.752 17.493 ( -6.492 6.096 -5.413) 10.421 18.214 ( 8.712 -2.265 3.672) 9.722 18.668 ( -4.451 -2.729 2.919) 5.981 20.907 ( -0.083 -0.813 -1.863) 2.035 21.006 ( -2.121 4.230 -0.401) 4.749 27.492 ( 1.326 -2.877 0.052) 3.168 27.617 ( -0.226 -0.227 0.998) 1.048 36.872 ( 2.719 -2.141 -0.292) 3.473 36.928 ( 0.647 -1.850 3.602) 4.101 37.832 ( 22.493 -9.245 -7.595) 25.477 39.247 ( -19.013 7.162 12.296) 23.748 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 23.065 26.224) 34.924 2.110 ( 0.000 -2.341 5.233) 5.733 2.532 ( 0.000 0.647 4.078) 4.129 2.909 ( -0.000 0.678 -2.452) 2.544 4.045 ( -0.000 -6.311 -7.164) 9.547 4.125 ( -0.000 17.580 -3.639) 17.953 4.784 ( -0.000 -9.478 -0.144) 9.479 4.813 ( -0.000 -7.139 -10.114) 12.380 6.231 ( 0.000 -3.266 1.154) 3.464 6.687 ( -0.000 -9.267 -3.066) 9.761 7.218 ( -0.000 -1.107 -0.403) 1.178 7.481 ( -0.000 -5.934 -1.636) 6.155 9.383 ( 0.000 0.555 3.779) 3.820 9.700 ( 0.000 -0.157 7.009) 7.011 9.934 ( 0.000 11.825 6.466) 13.477 10.845 ( -0.000 0.839 -3.338) 3.442 11.649 ( -0.000 6.394 -1.180) 6.502 11.937 ( -0.000 -3.682 -9.435) 10.128 17.144 ( 0.000 8.506 5.328) 10.037 17.683 ( -0.000 5.659 -2.586) 6.222 17.913 ( 0.000 -1.953 2.686) 3.320 18.862 ( -0.000 -7.268 -1.634) 7.450 20.941 ( -0.000 -0.926 -2.497) 2.663 21.009 ( 0.000 5.741 -0.133) 5.742 27.511 ( 0.000 1.602 1.778) 2.393 27.559 ( -0.000 -3.129 -1.275) 3.379 36.834 ( -0.000 0.904 -1.937) 2.138 36.967 ( 0.000 -10.526 10.805) 15.084 37.069 ( -0.000 -1.129 -2.039) 2.331 39.755 ( 0.000 4.061 4.406) 5.992 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -8.903 11.210 6.000) 15.522 2.200 ( 8.859 -9.881 0.992) 13.307 2.557 ( -5.082 9.034 8.788) 13.589 3.048 ( 14.039 1.926 2.636) 14.413 3.928 ( -1.620 -8.214 -3.916) 9.243 4.271 ( -4.268 20.826 -2.663) 21.425 4.523 ( -8.757 -6.935 -5.592) 12.492 4.795 ( 5.751 -10.351 -8.067) 14.328 6.213 ( 3.934 -6.130 -2.484) 7.695 6.586 ( -0.611 -8.153 -1.046) 8.243 7.221 ( 1.907 -2.325 0.681) 3.084 7.422 ( 2.518 -8.035 -0.276) 8.425 9.449 ( 6.630 -2.483 1.149) 7.173 9.748 ( 3.546 -3.113 6.872) 8.336 10.123 ( 1.646 15.076 7.111) 16.750 10.826 ( -2.997 3.761 -1.536) 5.048 11.661 ( -8.620 7.786 -3.260) 12.064 11.769 ( -8.383 0.991 -8.952) 12.305 17.261 ( -0.677 8.701 4.408) 9.778 17.693 ( -4.040 6.779 -5.243) 9.474 17.959 ( 5.112 -0.771 5.568) 7.598 18.759 ( -1.083 -9.280 -0.467) 9.355 20.916 ( -0.204 -0.801 -3.488) 3.585 21.063 ( -1.024 6.810 -0.340) 6.895 27.490 ( -1.400 -2.159 -0.235) 2.584 27.572 ( 2.503 -0.458 1.093) 2.770 36.810 ( -0.052 -3.599 -0.746) 3.676 36.910 ( -0.330 -4.259 7.453) 8.591 37.184 ( 13.822 -5.544 -1.223) 14.943 39.745 ( -8.636 3.202 8.690) 12.663 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -0.377 7.423 -8.888) 11.586 2.143 ( 5.746 -17.823 -7.194) 20.061 2.633 ( -4.533 12.479 7.981) 15.491 3.325 ( 13.835 -4.251 6.187) 15.740 3.831 ( 0.850 -8.439 4.277) 9.499 4.224 ( -13.529 4.734 0.179) 14.335 4.463 ( -2.843 16.111 -6.110) 17.464 4.716 ( 4.188 -13.123 -10.409) 17.266 6.240 ( 8.409 -5.496 -4.872) 11.165 6.500 ( 0.215 -6.581 -1.146) 6.684 7.230 ( 1.432 -3.321 1.321) 3.851 7.410 ( 3.535 -7.720 2.726) 8.918 9.545 ( 10.822 -7.457 -3.488) 13.598 9.838 ( 7.352 -4.360 6.701) 10.862 10.310 ( -1.403 13.888 5.863) 15.140 10.819 ( -3.830 6.572 1.818) 7.821 11.387 ( -15.347 -2.596 -9.984) 18.492 11.732 ( -8.797 17.771 -1.887) 19.919 17.321 ( -2.925 7.404 2.498) 8.343 17.631 ( -6.346 6.581 -7.211) 11.644 18.101 ( 6.756 -0.330 7.073) 9.786 18.664 ( -0.082 -8.160 1.386) 8.277 20.886 ( -0.038 -0.934 -3.782) 3.896 21.096 ( -2.525 6.416 -0.496) 6.913 27.451 ( 0.085 -3.074 -0.313) 3.091 27.610 ( 1.353 -0.473 1.599) 2.147 36.793 ( 2.904 -4.421 0.334) 5.300 36.918 ( 0.561 -2.677 5.551) 6.188 37.372 ( 17.602 -7.801 -5.454) 20.010 39.645 ( -13.381 4.357 13.913) 19.789 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.000 -1.946 2.704) 3.332 1.994 ( -0.000 -10.431 -3.521) 11.009 2.760 ( 0.000 11.399 11.413) 16.131 2.957 ( 0.000 2.370 4.102) 4.737 3.825 ( -0.000 -13.070 -1.933) 13.212 4.482 ( -0.000 -15.038 -9.034) 17.543 4.511 ( -0.000 21.866 -5.659) 22.586 4.573 ( -0.000 -1.860 -8.029) 8.241 6.069 ( -0.000 -11.597 -4.442) 12.419 6.538 ( 0.000 -5.204 3.436) 6.235 7.192 ( 0.000 -2.189 1.744) 2.798 7.286 ( -0.000 -11.837 -1.406) 11.920 9.359 ( -0.000 -5.891 0.153) 5.893 9.696 ( 0.000 -7.428 5.653) 9.334 10.318 ( 0.000 18.636 7.490) 20.085 10.899 ( 0.000 6.531 0.313) 6.538 11.753 ( -0.000 -1.424 -15.331) 15.397 11.881 ( 0.000 18.334 0.805) 18.352 17.409 ( 0.000 11.381 7.197) 13.466 17.770 ( -0.000 7.444 -6.835) 10.106 17.932 ( 0.000 -0.143 6.011) 6.013 18.649 ( -0.000 -12.769 -0.719) 12.790 20.888 ( -0.000 -0.692 -5.106) 5.153 21.143 ( -0.000 7.757 -0.617) 7.782 27.471 ( -0.000 -3.933 -1.591) 4.243 27.557 ( 0.000 0.688 2.438) 2.533 36.749 ( -0.000 -9.249 0.340) 9.256 36.910 ( 0.000 -4.944 9.107) 10.362 37.021 ( -0.000 -1.380 -2.376) 2.747 39.892 ( 0.000 1.563 12.158) 12.258 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -7.210 -3.633 -4.482) 9.234 1.873 ( 1.117 -17.465 -8.450) 19.434 2.835 ( -5.209 4.515 4.963) 8.494 3.115 ( 11.393 -2.156 7.351) 13.729 3.707 ( 4.932 -17.067 5.070) 18.474 4.299 ( 0.115 -9.187 -12.269) 15.328 4.484 ( -0.565 -2.164 -10.849) 11.077 4.717 ( -4.258 23.766 -0.565) 24.151 5.997 ( 7.855 -10.316 -4.133) 13.609 6.471 ( -3.898 -6.048 2.432) 7.595 7.185 ( 2.852 -5.436 2.612) 6.671 7.235 ( 5.418 -8.334 0.330) 9.946 9.315 ( 4.394 -10.004 -2.459) 11.200 9.689 ( 5.970 -8.862 5.437) 11.989 10.527 ( -1.612 18.015 5.801) 18.994 10.953 ( -2.565 7.550 2.557) 8.374 11.556 ( -12.150 0.523 -15.288) 19.536 12.051 ( -5.407 23.525 0.784) 24.151 17.500 ( -5.285 10.174 5.295) 12.628 17.757 ( -4.984 6.598 -7.431) 11.117 18.037 ( 6.146 1.399 7.535) 9.824 18.540 ( 2.556 -12.498 0.045) 12.757 20.852 ( 0.045 -0.854 -6.060) 6.120 21.199 ( -1.764 7.315 -0.776) 7.564 27.421 ( -0.419 -3.281 -1.040) 3.467 27.588 ( 1.508 -0.426 2.073) 2.599 36.679 ( 3.271 -9.913 1.561) 10.554 36.916 ( 0.177 -2.904 6.859) 7.451 37.068 ( 8.406 -3.464 -3.493) 9.739 39.919 ( -6.468 1.742 16.412) 17.726 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -0.000 -17.034 -8.749) 19.149 1.735 ( -0.000 -14.654 -5.269) 15.572 2.915 ( -0.000 -2.572 -2.192) 3.380 2.992 ( 0.000 -9.377 6.690) 11.519 3.404 ( 0.000 -30.354 4.260) 30.652 4.151 ( -0.000 -2.378 -16.662) 16.831 4.498 ( -0.000 7.078 -4.957) 8.641 4.996 ( 0.000 23.575 1.737) 23.639 5.793 ( -0.000 -11.011 -1.838) 11.163 6.496 ( 0.000 -5.008 4.869) 6.985 6.979 ( -0.000 -16.983 0.001) 16.983 7.205 ( 0.000 0.340 1.443) 1.482 9.166 ( -0.000 -12.154 -1.839) 12.293 9.552 ( 0.000 -11.734 4.970) 12.743 10.750 ( 0.000 18.540 4.187) 19.007 11.064 ( 0.000 6.768 3.933) 7.828 11.604 ( -0.000 5.088 -19.486) 20.139 12.364 ( 0.000 28.069 2.656) 28.195 17.699 ( 0.000 9.935 7.088) 12.204 17.830 ( -0.000 6.420 -6.823) 9.369 18.022 ( 0.000 2.384 5.816) 6.286 18.376 ( -0.000 -14.170 0.036) 14.170 20.807 ( -0.000 -0.811 -8.017) 8.058 21.280 ( -0.000 6.929 -0.979) 6.998 27.388 ( -0.000 -2.881 -1.276) 3.151 27.579 ( 0.000 -0.843 1.979) 2.151 36.535 ( 0.000 -13.473 2.710) 13.743 36.924 ( 0.000 -2.271 6.424) 6.814 36.973 ( -0.000 -1.030 -2.330) 2.547 40.073 ( 0.000 0.571 19.793) 19.801 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 0.000 29.975) 29.975 0.953 ( 0.000 0.000 29.975) 29.975 1.547 ( 0.000 0.000 49.263) 49.263 2.706 ( 0.000 -0.000 5.083) 5.083 2.706 ( 0.000 -0.000 5.083) 5.083 4.912 ( 0.000 0.000 4.314) 4.314 4.912 ( 0.000 0.000 4.314) 4.314 5.479 ( 0.000 0.000 13.109) 13.109 5.618 ( -0.000 -0.000 -12.053) 12.053 6.146 ( -0.000 -0.000 -5.813) 5.813 6.146 ( -0.000 -0.000 -5.813) 5.813 7.216 ( -0.000 -0.000 -5.549) 5.549 8.824 ( 0.000 0.000 13.446) 13.446 8.824 ( 0.000 0.000 13.446) 13.446 11.243 ( -0.000 -0.000 -10.285) 10.285 11.243 ( -0.000 -0.000 -10.285) 10.285 12.434 ( 0.000 0.000 3.544) 3.544 13.490 ( -0.000 -0.000 -6.679) 6.679 17.714 ( 0.000 -0.000 2.327) 2.327 17.714 ( 0.000 -0.000 2.327) 2.327 18.153 ( -0.000 0.000 -2.057) 2.057 18.153 ( -0.000 0.000 -2.057) 2.057 21.552 ( 0.000 0.000 4.401) 4.401 22.401 ( -0.000 -0.000 -3.912) 3.912 27.336 ( 0.000 0.000 0.987) 0.987 27.507 ( -0.000 -0.000 -0.723) 0.723 36.100 ( 0.000 -0.000 3.664) 3.664 36.100 ( 0.000 0.000 3.664) 3.664 36.863 ( -0.000 -0.000 -3.938) 3.938 36.863 ( -0.000 -0.000 -3.938) 3.938 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 7.949 4.589 22.820) 24.597 1.229 ( 3.369 1.945 27.195) 27.472 2.187 ( 29.060 16.778 36.692) 49.722 2.605 ( -4.214 -2.433 1.824) 5.197 2.959 ( 11.627 6.713 2.868) 13.729 4.735 ( -11.367 -6.563 15.920) 20.633 4.874 ( -6.526 -3.768 3.784) 8.432 5.507 ( -3.757 -2.169 -11.116) 11.932 5.735 ( 10.132 5.850 6.161) 13.222 6.180 ( 7.696 4.443 -4.306) 9.875 6.234 ( 9.680 5.589 -6.628) 12.995 7.170 ( -1.169 -0.675 -6.137) 6.284 8.962 ( 6.051 3.493 14.421) 16.024 9.082 ( 13.624 7.866 8.687) 17.971 11.075 ( -7.736 -4.466 -12.206) 15.125 11.189 ( -1.655 -0.956 -10.641) 10.811 12.227 ( -18.530 -10.699 12.664) 24.864 13.302 ( -12.641 -7.298 -6.322) 15.906 17.687 ( -1.383 -0.799 -2.273) 2.778 17.855 ( 8.012 4.626 3.125) 9.765 18.054 ( -4.021 -2.321 -3.708) 5.942 18.177 ( 0.031 0.018 -0.896) 0.897 21.541 ( -3.086 -1.782 4.460) 5.709 21.830 ( -33.525 -19.355 16.858) 42.222 27.338 ( -0.290 -0.167 0.907) 0.967 27.493 ( 0.059 0.034 -1.251) 1.253 36.255 ( 8.554 4.939 5.340) 11.229 36.794 ( -1.610 -0.929 -5.508) 5.813 36.935 ( 6.008 3.469 -1.552) 7.109 37.252 ( 72.971 42.130 -46.863) 96.415 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 8.724 5.037 15.171) 18.211 1.471 ( 16.434 9.488 12.797) 22.888 2.573 ( 1.799 1.038 -0.008) 2.077 2.886 ( 14.515 8.380 20.243) 26.281 3.251 ( 15.232 8.794 3.054) 17.852 4.643 ( -14.626 -8.444 -0.155) 16.890 4.648 ( -4.742 -2.738 21.556) 22.240 5.357 ( -6.026 -3.479 -5.004) 8.571 5.935 ( 7.900 4.561 2.863) 9.561 6.440 ( 13.475 7.780 1.790) 15.662 6.465 ( 13.053 7.536 -8.032) 17.079 7.114 ( -0.905 -0.523 -5.798) 5.892 9.232 ( 11.098 6.407 14.245) 19.161 9.422 ( 12.948 7.475 3.863) 15.442 10.803 ( -10.226 -5.904 -11.907) 16.769 11.056 ( -5.731 -3.309 -10.840) 12.700 11.842 ( -20.689 -11.945 16.454) 29.008 12.916 ( -18.254 -10.539 -3.576) 21.379 17.591 ( -5.922 -3.419 -4.287) 8.071 17.986 ( 0.750 0.433 -3.930) 4.024 18.056 ( 6.770 3.909 2.647) 8.254 18.145 ( -1.602 -0.925 -1.433) 2.340 21.346 ( -18.024 -10.406 16.198) 26.373 21.459 ( -5.911 -3.413 3.361) 7.608 27.332 ( -0.433 -0.250 0.394) 0.637 27.505 ( 1.589 0.917 -2.046) 2.748 36.503 ( 10.142 5.855 5.171) 12.801 36.744 ( -0.146 -0.084 -5.878) 5.880 37.142 ( 12.351 7.131 4.294) 14.895 38.243 ( 38.573 22.270 -52.718) 69.015 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 14.169 8.181 1.202) 16.406 1.904 ( 17.260 9.965 4.629) 20.460 2.710 ( 10.265 5.926 0.603) 11.868 3.072 ( -0.155 -0.089 9.332) 9.334 3.549 ( 5.657 3.266 1.446) 6.690 4.253 ( -18.661 -10.774 -1.082) 21.575 4.748 ( 2.833 1.635 22.039) 22.281 5.169 ( -9.951 -5.745 0.093) 11.491 6.179 ( 12.447 7.187 4.382) 15.026 6.690 ( 10.300 5.947 -10.053) 15.573 6.722 ( 9.392 5.423 5.004) 11.944 7.072 ( -0.577 -0.333 -4.875) 4.920 9.578 ( 12.945 7.474 12.013) 19.177 9.685 ( 9.636 5.563 -0.943) 11.166 10.532 ( -8.397 -4.848 -8.392) 12.824 10.799 ( -12.474 -7.202 -10.109) 17.597 11.538 ( -12.191 -7.038 13.666) 19.619 12.495 ( -17.712 -10.226 0.482) 20.458 17.401 ( -7.969 -4.601 -4.789) 10.373 18.010 ( -7.014 -4.050 0.860) 8.145 18.058 ( 6.469 3.735 -0.941) 7.529 18.238 ( 5.779 3.336 -2.512) 7.130 21.121 ( -9.086 -5.246 10.067) 14.540 21.321 ( -7.241 -4.181 1.862) 8.566 27.330 ( 0.412 0.238 -0.184) 0.510 27.537 ( 2.026 1.170 -1.911) 3.021 36.728 ( 7.504 4.332 4.056) 9.567 36.731 ( 1.535 0.886 -5.198) 5.492 37.539 ( 19.020 10.981 11.404) 24.747 38.558 ( 13.514 7.802 -43.146) 45.881 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 18.330 10.583 -12.811) 24.740 2.261 ( 13.996 8.080 -3.844) 16.612 2.982 ( 10.394 6.001 -0.586) 12.016 3.070 ( -3.141 -1.813 9.353) 10.032 3.510 ( -7.362 -4.251 -2.162) 8.772 3.880 ( -12.118 -6.996 5.163) 14.914 4.890 ( -0.998 -0.576 15.522) 15.565 4.913 ( -13.266 -7.659 3.619) 15.740 6.520 ( 14.575 8.415 6.536) 18.054 6.801 ( 4.167 2.406 -11.592) 12.551 6.917 ( 5.988 3.457 6.942) 9.798 7.026 ( -1.686 -0.973 -4.226) 4.653 9.842 ( 5.907 3.410 -6.080) 9.137 9.871 ( 7.841 4.527 2.761) 9.465 10.393 ( -0.948 -0.547 1.700) 2.022 10.438 ( -13.797 -7.966 -9.552) 18.575 11.428 ( -3.660 -2.113 9.259) 10.178 12.149 ( -14.127 -8.156 4.603) 16.950 17.221 ( -5.198 -3.001 -4.955) 7.784 17.827 ( -9.144 -5.280 0.614) 10.577 18.249 ( 9.467 5.466 3.528) 11.487 18.303 ( 1.681 0.970 -5.108) 5.464 21.008 ( -4.852 -2.802 5.202) 7.646 21.169 ( -6.577 -3.797 0.885) 7.646 27.355 ( 2.016 1.164 -0.509) 2.383 27.569 ( 1.345 0.776 -0.981) 1.837 36.755 ( 2.536 1.464 -3.989) 4.948 36.879 ( 4.259 2.459 3.610) 6.101 38.080 ( 22.134 12.779 16.250) 30.287 38.487 ( -0.886 -0.512 -35.129) 35.144 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 18.056 10.424 -27.054) 34.155 2.481 ( 8.188 4.727 -10.862) 14.401 2.985 ( -7.300 -4.215 -2.854) 8.899 3.062 ( -1.872 -1.081 1.770) 2.794 3.279 ( -9.723 -5.614 5.971) 12.716 3.917 ( 9.303 5.371 9.520) 14.353 4.644 ( -12.369 -7.141 9.327) 17.058 4.831 ( -9.628 -5.559 11.512) 16.004 6.755 ( -2.728 -1.575 -12.224) 12.623 6.849 ( 10.905 6.296 5.591) 13.777 6.949 ( -3.549 -2.049 -3.359) 5.298 7.099 ( 6.886 3.976 9.291) 12.229 9.892 ( 2.274 1.313 -10.430) 10.755 9.950 ( 2.533 1.463 -7.329) 7.891 10.131 ( -8.273 -4.777 -9.838) 13.713 10.492 ( 4.163 2.404 10.786) 11.809 11.433 ( 0.100 0.058 5.986) 5.987 11.902 ( -10.935 -6.313 7.722) 14.801 17.139 ( 0.366 0.211 -5.103) 5.120 17.633 ( -7.958 -4.595 1.655) 9.337 18.267 ( -1.794 -1.036 -6.962) 7.264 18.491 ( 8.936 5.159 7.029) 12.485 20.949 ( -2.000 -1.155 1.882) 2.979 21.044 ( -4.863 -2.807 0.558) 5.642 27.414 ( 3.322 1.918 -0.633) 3.888 27.581 ( -0.230 -0.133 0.270) 0.379 36.795 ( 2.296 1.325 -2.777) 3.839 36.960 ( 1.509 0.871 3.339) 3.766 38.206 ( -8.737 -5.044 -29.042) 30.744 38.668 ( 21.861 12.622 18.020) 31.015 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -6.903 -3.986 -10.047) 12.825 2.603 ( 10.224 5.903 -36.112) 37.993 2.805 ( -12.099 -6.985 -7.711) 15.957 2.888 ( 2.003 1.157 -1.875) 2.978 3.433 ( 13.494 7.791 16.387) 22.612 4.084 ( -0.229 -0.132 -2.018) 2.036 4.550 ( -1.650 -0.952 18.824) 18.920 4.636 ( -11.600 -6.697 11.558) 17.691 6.572 ( -7.772 -4.487 -10.802) 14.043 6.833 ( -5.192 -2.997 -2.793) 6.613 7.058 ( 5.918 3.417 4.087) 7.962 7.291 ( 4.856 2.803 8.930) 10.544 9.802 ( -4.576 -2.642 -13.449) 14.450 9.977 ( 3.533 2.040 -8.825) 9.722 10.029 ( 3.353 1.936 -7.813) 8.720 10.605 ( 1.071 0.618 9.569) 9.649 11.486 ( 2.816 1.626 3.071) 4.473 11.723 ( -9.185 -5.303 9.944) 14.539 17.186 ( 6.032 3.483 -5.677) 8.986 17.514 ( -3.438 -1.985 3.937) 5.591 18.171 ( -3.007 -1.736 -7.292) 8.077 18.686 ( 4.292 2.478 7.988) 9.400 20.943 ( 1.245 0.719 0.100) 1.441 20.954 ( -3.528 -2.037 0.523) 4.107 27.489 ( 3.511 2.027 -0.750) 4.123 27.560 ( -2.006 -1.158 1.342) 2.677 36.821 ( 0.928 0.536 -1.756) 2.057 36.988 ( -0.296 -0.171 3.156) 3.174 37.830 ( -12.247 -7.071 -23.729) 27.623 39.222 ( 19.274 11.128 16.297) 27.584 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -11.157 -6.442 -2.758) 13.175 2.335 ( -12.446 -7.186 -19.077) 23.884 2.804 ( 8.973 5.180 -14.027) 17.439 2.973 ( 5.523 3.189 -4.900) 8.043 3.897 ( 20.171 11.646 10.451) 25.529 3.984 ( -4.910 -2.835 -2.640) 6.254 4.479 ( -6.228 -3.596 9.800) 12.155 4.569 ( -8.098 -4.675 13.955) 16.798 6.319 ( -10.481 -6.051 -6.407) 13.694 6.703 ( -4.550 -2.627 -3.416) 6.267 7.167 ( 2.416 1.395 2.651) 3.848 7.365 ( -2.171 -1.254 6.019) 6.520 9.611 ( -6.647 -3.837 -10.524) 13.025 9.969 ( -1.693 -0.977 -9.082) 9.290 10.151 ( 10.376 5.990 -6.456) 13.609 10.690 ( 4.531 2.616 6.780) 8.564 11.587 ( -7.854 -4.534 12.022) 15.059 11.614 ( 8.518 4.918 0.368) 9.842 17.334 ( 9.454 5.458 -6.661) 12.788 17.526 ( 2.061 1.190 6.418) 6.845 18.078 ( -1.891 -1.092 -6.516) 6.872 18.740 ( -2.939 -1.697 6.148) 7.022 20.884 ( -3.045 -1.758 0.881) 3.625 21.010 ( 4.593 2.652 -0.215) 5.307 27.509 ( -3.135 -1.810 1.890) 4.084 27.554 ( 2.528 1.459 -0.995) 3.084 36.814 ( -1.106 -0.639 -0.672) 1.444 36.987 ( -1.013 -0.585 3.127) 3.338 37.435 ( -12.832 -7.408 -18.837) 23.966 39.681 ( 15.135 8.738 10.649) 20.465 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -12.270 -7.084 3.365) 14.562 2.000 ( -11.518 -6.650 -6.044) 14.609 2.910 ( 4.392 2.536 -7.534) 9.082 3.048 ( 3.009 1.737 -6.307) 7.200 3.849 ( -7.863 -4.540 -4.989) 10.360 4.307 ( -18.058 -10.426 13.348) 24.758 4.331 ( 7.945 4.587 13.262) 16.126 4.551 ( 15.279 8.822 -1.264) 17.688 6.044 ( -11.989 -6.922 -1.641) 13.940 6.600 ( -3.172 -1.832 -4.342) 5.681 7.202 ( 0.224 0.129 0.344) 0.430 7.253 ( -9.512 -5.492 3.033) 11.395 9.396 ( -9.044 -5.221 -4.583) 11.404 9.800 ( -8.508 -4.912 -7.693) 12.478 10.414 ( 15.108 8.723 -4.826) 18.101 10.888 ( 9.625 5.557 2.022) 11.296 11.512 ( -4.109 -2.373 15.393) 16.108 11.898 ( 17.345 10.014 -1.669) 20.097 17.522 ( 10.120 5.843 -7.391) 13.827 17.655 ( 5.675 3.276 7.861) 10.234 18.027 ( 0.195 0.113 -5.895) 5.900 18.621 ( -9.347 -5.396 2.877) 11.170 20.827 ( -2.720 -1.570 2.613) 4.085 21.136 ( 6.306 3.641 0.255) 7.286 27.445 ( -3.228 -1.864 1.798) 4.139 27.587 ( 0.871 0.503 -1.428) 1.747 36.748 ( -5.513 -3.183 -0.131) 6.367 36.980 ( -1.001 -0.578 3.006) 3.221 37.091 ( -9.217 -5.322 -13.776) 17.409 39.992 ( 9.628 5.559 -0.053) 11.118 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.000 11.612 20.571) 23.623 1.526 ( 0.000 16.104 25.261) 29.958 2.270 ( 0.000 20.458 39.489) 44.473 2.725 ( -0.000 4.453 -1.278) 4.633 2.887 ( 0.000 5.583 3.810) 6.760 4.856 ( 0.000 -9.005 14.084) 16.717 4.879 ( 0.000 -6.866 5.146) 8.580 5.429 ( -0.000 -5.338 -13.084) 14.131 5.746 ( 0.000 7.491 11.394) 13.636 6.110 ( -0.000 3.185 -6.615) 7.342 6.205 ( -0.000 12.837 -7.331) 14.783 7.137 ( -0.000 -1.160 -7.029) 7.124 9.047 ( 0.000 5.939 16.964) 17.973 9.116 ( 0.000 11.949 11.828) 16.813 11.051 ( -0.000 -4.468 -13.188) 13.924 11.087 ( -0.000 -6.080 -12.394) 13.805 12.361 ( 0.000 -8.991 9.134) 12.817 13.252 ( -0.000 -16.192 -7.330) 17.774 17.738 ( 0.000 2.326 0.394) 2.359 17.807 ( 0.000 2.749 1.747) 3.257 18.038 ( -0.000 -4.259 -3.947) 5.807 18.168 ( -0.000 -0.121 -0.596) 0.609 21.566 ( 0.000 -3.716 4.988) 6.220 21.903 ( 0.000 -34.354 11.507) 36.230 27.348 ( 0.000 0.351 1.119) 1.173 27.484 ( -0.000 -0.608 -1.314) 1.448 36.136 ( 0.000 3.190 2.868) 4.290 36.790 ( -0.000 0.181 -4.883) 4.886 36.886 ( -0.000 3.650 -3.313) 4.929 37.196 ( -0.000 80.302 -31.396) 86.222 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 5.957 14.529 13.865) 20.948 1.676 ( -9.127 15.373 22.017) 28.362 2.609 ( -4.965 4.500 0.591) 6.727 2.884 ( 12.361 14.110 23.583) 30.134 3.087 ( 13.978 5.871 0.934) 15.190 4.771 ( -8.368 -7.710 2.958) 11.756 4.796 ( -4.714 -5.923 18.378) 19.876 5.306 ( -0.062 -7.867 -8.286) 11.426 5.925 ( 4.403 8.311 4.083) 10.253 6.176 ( 9.468 1.894 0.093) 9.656 6.428 ( 10.519 16.950 -7.995) 21.492 7.088 ( -0.272 -0.426 -6.860) 6.878 9.237 ( 5.047 7.346 16.900) 19.106 9.360 ( 7.631 9.435 9.247) 15.256 10.831 ( -8.059 -6.791 -13.467) 17.100 10.991 ( 0.628 -6.250 -12.581) 14.062 12.164 ( -17.582 -8.750 12.520) 23.290 12.961 ( -7.957 -20.187 -5.836) 22.469 17.698 ( -7.271 3.844 -2.018) 8.469 17.831 ( 3.871 -8.948 -1.235) 9.828 18.058 ( 4.707 5.729 -1.459) 7.556 18.152 ( -0.869 -1.362 -0.140) 1.622 21.515 ( -3.489 -5.610 4.205) 7.831 21.543 ( -12.453 -21.491 13.467) 28.254 27.352 ( -0.887 0.852 0.882) 1.514 27.480 ( 0.942 0.360 -2.005) 2.244 36.335 ( 14.023 2.500 2.863) 14.529 36.741 ( -2.373 1.553 -5.250) 5.967 37.015 ( 10.679 5.144 0.610) 11.869 37.900 ( 17.305 56.299 -40.470) 71.462 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 0.334 8.511 9.846) 13.018 1.926 ( 6.835 21.176 9.987) 24.390 2.594 ( 2.731 0.832 -2.015) 3.495 3.112 ( 4.253 2.000 2.667) 5.404 3.464 ( 10.362 5.059 10.628) 15.682 4.480 ( -17.234 -6.562 0.944) 18.465 4.830 ( 1.101 -1.465 19.215) 19.302 5.177 ( -2.084 -10.587 -2.508) 11.078 6.114 ( 7.362 10.629 1.205) 12.986 6.414 ( 13.989 0.152 2.226) 14.166 6.726 ( 9.295 14.961 -6.326) 18.715 7.058 ( -0.075 1.348 -5.662) 5.821 9.514 ( 9.259 6.120 13.669) 17.608 9.610 ( 8.125 7.102 5.997) 12.346 10.552 ( -8.065 -8.116 -11.910) 16.515 10.840 ( -4.891 -5.199 -11.856) 13.839 11.813 ( -19.956 -7.634 13.833) 25.453 12.580 ( -10.504 -19.804 -2.519) 22.558 17.527 ( -11.689 -0.676 -2.350) 11.942 17.877 ( 10.397 -4.342 -2.523) 11.546 18.057 ( -3.907 -5.150 0.765) 6.509 18.231 ( 3.849 8.587 -2.126) 9.647 21.261 ( -9.589 -10.960 10.340) 17.861 21.393 ( -5.862 -6.415 2.479) 9.037 27.348 ( -1.138 1.651 0.420) 2.049 27.503 ( 2.083 1.051 -2.248) 3.240 36.602 ( 12.519 1.649 2.270) 12.830 36.710 ( -0.326 2.512 -4.973) 5.581 37.352 ( 19.212 7.646 7.711) 22.069 38.339 ( 8.025 31.228 -38.562) 50.265 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 6.637 6.500 -3.358) 9.878 2.275 ( 4.729 21.439 -0.612) 21.963 2.693 ( 13.063 -9.642 1.669) 16.322 3.215 ( 2.705 8.449 -0.606) 8.892 3.551 ( -3.764 -4.918 8.248) 10.314 4.126 ( -18.574 -3.780 4.492) 19.480 4.932 ( 1.372 -6.045 8.297) 10.357 5.003 ( -5.296 -7.983 4.324) 10.511 6.399 ( 12.028 9.158 4.374) 15.737 6.620 ( 9.843 -0.149 -1.273) 9.926 6.947 ( 4.950 10.895 -2.504) 12.226 7.043 ( -1.347 2.937 -4.663) 5.673 9.717 ( 6.370 0.969 0.456) 6.459 9.870 ( 6.840 9.646 7.218) 13.854 10.308 ( -2.875 -11.238 -6.927) 13.511 10.613 ( -10.821 -0.738 -9.075) 14.142 11.551 ( -10.617 -5.407 11.258) 16.392 12.229 ( -8.724 -17.650 1.470) 19.743 17.317 ( -10.206 -0.466 -2.372) 10.488 17.897 ( -5.906 -6.964 -1.986) 9.345 18.060 ( 12.161 -0.947 2.421) 12.435 18.334 ( 1.037 7.001 -3.653) 7.964 21.094 ( -6.248 -5.663 6.248) 10.495 21.236 ( -6.184 -5.874 1.045) 8.593 27.359 ( -0.157 2.743 0.101) 2.749 27.541 ( 2.250 1.071 -1.671) 3.000 36.720 ( 1.622 3.009 -4.149) 5.376 36.805 ( 8.317 0.789 2.145) 8.625 37.863 ( 24.574 8.569 13.277) 29.217 38.415 ( -3.501 16.044 -32.759) 36.644 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 11.300 1.307 -17.571) 20.931 2.441 ( 3.061 5.509 -11.814) 13.390 2.837 ( 9.844 -2.734 3.822) 10.908 3.285 ( -8.898 8.639 -2.606) 12.673 3.431 ( -8.177 -3.366 7.445) 11.559 3.943 ( -2.237 2.031 11.723) 12.106 4.747 ( -6.825 -11.915 2.667) 13.988 4.950 ( -4.476 -6.341 7.543) 10.824 6.620 ( 5.263 -1.743 -3.325) 6.465 6.775 ( 8.275 2.207 2.080) 8.813 7.018 ( -3.059 7.079 -3.256) 8.371 7.117 ( 4.254 8.146 3.752) 9.926 9.784 ( 3.351 -0.171 -6.459) 7.279 9.969 ( -2.656 5.284 -7.616) 9.643 10.169 ( -4.624 -5.304 -4.333) 8.264 10.497 ( 1.388 1.651 4.794) 5.257 11.449 ( -2.121 -4.936 7.482) 9.211 11.965 ( -5.526 -15.509 5.027) 17.215 17.173 ( -5.860 1.844 -2.555) 6.654 17.706 ( -6.974 -7.037 -0.309) 9.912 18.229 ( 4.018 -0.024 -2.537) 4.752 18.424 ( 6.815 5.125 1.750) 8.705 20.993 ( -3.794 -2.803 2.930) 5.553 21.095 ( -4.896 -4.331 0.436) 6.551 27.399 ( 1.285 3.563 -0.112) 3.789 27.575 ( 1.247 0.492 -0.534) 1.443 36.765 ( 2.024 3.185 -2.945) 4.787 36.928 ( 4.735 -0.276 2.055) 5.169 38.228 ( -10.399 6.851 -26.376) 29.169 38.458 ( 24.620 8.210 14.975) 29.963 ======================= Grid point 339 (119/189) ======================= q-point: ( 0.67 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 9.945 -11.987 -24.994) 29.450 2.438 ( 6.575 -4.499 -12.229) 14.596 2.992 ( -1.205 14.401 -2.977) 14.754 3.026 ( -19.605 2.063 -10.417) 22.296 3.412 ( 3.494 1.258 17.380) 17.773 4.083 ( 2.089 2.563 3.740) 4.992 4.609 ( -1.028 -6.714 9.891) 11.999 4.805 ( -7.272 -7.059 8.225) 13.052 6.561 ( -3.236 -4.308 -8.250) 9.854 6.828 ( -0.537 -5.496 0.234) 5.528 7.090 ( 0.806 9.846 1.764) 10.035 7.304 ( 4.791 6.890 6.965) 10.905 9.767 ( -0.234 0.148 -11.409) 11.413 9.943 ( 0.615 4.196 -9.182) 10.114 10.012 ( -5.762 2.744 -7.289) 9.688 10.613 ( 3.897 -1.057 9.159) 10.010 11.435 ( 2.623 -5.421 4.566) 7.558 11.783 ( -3.382 -13.729 7.707) 16.104 17.137 ( 0.144 3.643 -3.375) 4.968 17.553 ( -3.772 -5.361 1.959) 6.842 18.192 ( -3.546 1.111 -6.598) 7.573 18.639 ( 8.859 2.208 6.482) 11.197 20.943 ( -0.958 -0.639 0.745) 1.372 20.993 ( -3.489 -2.783 0.414) 4.482 27.463 ( 2.105 3.337 -0.480) 3.975 27.583 ( -0.526 -0.124 0.708) 0.891 36.810 ( 1.117 2.568 -1.804) 3.331 36.986 ( 1.927 -0.875 1.797) 2.776 37.918 ( -15.650 2.646 -21.925) 27.067 39.022 ( 23.799 5.798 14.697) 28.566 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 8.156 -19.524 -18.324) 27.991 2.467 ( -0.101 2.537 -13.786) 14.018 2.651 ( -9.091 -6.631 -3.379) 11.749 3.087 ( -4.953 20.223 -8.381) 22.444 3.723 ( 17.484 7.016 11.536) 22.091 4.034 ( -5.113 -2.513 -1.000) 5.784 4.542 ( -4.212 -10.587 8.498) 14.214 4.762 ( -4.431 1.819 12.141) 13.052 6.387 ( -7.255 -3.926 -6.117) 10.270 6.723 ( -4.338 -5.672 -0.415) 7.153 7.189 ( 0.357 5.109 2.485) 5.693 7.432 ( -0.205 3.510 5.188) 6.267 9.655 ( -6.411 1.429 -10.727) 12.578 9.945 ( -0.400 3.728 -9.285) 10.014 10.029 ( 6.271 5.626 -6.754) 10.798 10.682 ( 2.155 -1.041 6.826) 7.234 11.487 ( 7.308 -4.221 2.560) 8.819 11.656 ( -2.279 -11.686 9.734) 15.379 17.205 ( 5.836 3.476 -4.681) 8.249 17.511 ( 1.752 -2.893 4.739) 5.822 18.108 ( -3.982 2.748 -6.574) 8.162 18.774 ( 1.893 -0.839 5.686) 6.051 20.922 ( -2.808 -1.804 0.840) 3.442 20.963 ( 2.852 1.286 -0.090) 3.129 27.511 ( 0.777 0.192 -0.509) 0.948 27.572 ( -1.172 1.512 1.026) 2.170 36.828 ( -0.609 1.306 -0.758) 1.628 37.002 ( 0.324 -0.952 1.252) 1.606 37.559 ( -17.024 1.121 -16.205) 23.530 39.497 ( 19.750 2.919 9.386) 22.061 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 6.564 -14.804 -6.184) 17.334 2.190 ( -17.688 -4.469 0.976) 18.270 2.709 ( 12.661 -0.246 -9.890) 16.068 3.137 ( -5.153 15.782 -8.426) 18.618 3.912 ( -5.171 -2.520 -1.521) 5.950 4.200 ( 21.965 9.544 7.044) 24.963 4.425 ( -2.525 -9.007 6.228) 11.238 4.650 ( -15.564 -1.275 10.784) 18.977 6.193 ( -10.364 -2.216 -0.572) 10.614 6.593 ( -3.767 -5.296 -1.601) 6.694 7.221 ( -1.275 1.597 0.714) 2.165 7.405 ( -7.643 0.811 2.055) 7.956 9.494 ( -8.949 0.377 -4.766) 10.146 9.869 ( -6.243 0.625 -8.523) 10.584 10.227 ( 12.781 8.008 -6.113) 16.274 10.791 ( 7.459 2.004 3.118) 8.329 11.544 ( 1.050 -11.446 11.133) 16.002 11.690 ( 13.298 1.681 1.693) 13.511 17.338 ( 9.699 1.782 -5.636) 11.359 17.596 ( 6.612 -1.100 6.881) 9.606 18.055 ( -2.873 5.110 -6.394) 8.674 18.734 ( -6.431 -3.532 2.762) 7.839 20.870 ( -2.426 -1.201 2.282) 3.540 21.059 ( 6.088 2.332 0.129) 6.521 27.480 ( -2.285 -2.209 0.983) 3.327 27.589 ( -0.155 2.380 -0.956) 2.569 36.802 ( -3.060 -0.638 0.146) 3.129 36.992 ( -0.594 -1.362 -1.565) 2.158 37.227 ( -15.828 2.835 -8.329) 18.109 39.820 ( 13.845 -0.510 -0.481) 13.863 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 11.974 10.638) 16.016 2.020 ( 0.000 10.019 20.095) 22.454 2.784 ( -0.000 9.787 -7.261) 12.186 2.908 ( -0.000 -4.892 -5.640) 7.466 3.075 ( 0.000 21.313 29.563) 36.444 4.802 ( 0.000 -4.777 4.986) 6.905 4.849 ( 0.000 -8.704 15.742) 17.988 5.172 ( -0.000 -9.699 -7.550) 12.292 5.978 ( 0.000 5.846 8.021) 9.925 6.161 ( -0.000 7.366 -0.921) 7.424 6.464 ( -0.000 20.541 -8.023) 22.052 7.052 ( -0.000 0.595 -6.925) 6.951 9.357 ( 0.000 6.352 17.994) 19.082 9.440 ( 0.000 8.672 10.360) 13.510 10.762 ( -0.000 -13.263 -13.623) 19.013 10.845 ( -0.000 -1.824 -13.201) 13.327 12.301 ( 0.000 -7.558 9.805) 12.380 12.764 ( -0.000 -25.278 -6.124) 26.010 17.673 ( -0.000 -8.692 -3.772) 9.475 17.842 ( 0.000 -0.472 0.964) 1.074 18.041 ( -0.000 9.891 -3.390) 10.456 18.142 ( 0.000 -2.747 1.596) 3.177 21.486 ( 0.000 -21.311 11.080) 24.019 21.502 ( 0.000 -7.555 3.854) 8.481 27.379 ( 0.000 1.758 1.091) 2.069 27.462 ( -0.000 0.217 -2.445) 2.454 36.267 ( 0.000 7.476 1.494) 7.624 36.790 ( -0.000 3.441 -1.462) 3.739 36.936 ( -0.000 4.304 -2.253) 4.858 38.159 ( -0.000 54.397 -33.668) 63.973 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 4.548 8.934 6.988) 12.220 2.128 ( -4.127 7.174 17.364) 19.235 2.657 ( -8.527 0.519 -8.535) 12.076 2.966 ( 9.407 -0.270 -7.210) 11.855 3.490 ( 6.202 14.959 20.698) 26.280 4.682 ( -10.987 -4.457 2.585) 12.135 4.851 ( 1.067 -7.164 11.564) 13.644 5.062 ( 1.108 -10.492 -0.015) 10.551 6.108 ( 5.397 7.861 -0.082) 9.536 6.306 ( 5.694 7.040 8.277) 12.268 6.692 ( 7.149 18.450 -8.754) 21.637 7.044 ( 0.713 3.347 -5.592) 6.556 9.530 ( 3.568 3.638 14.815) 15.667 9.603 ( 5.339 5.812 9.828) 12.605 10.506 ( -5.059 -13.049 -13.248) 19.271 10.774 ( -0.535 -1.245 -11.755) 11.833 12.127 ( -16.109 -7.441 10.206) 20.470 12.459 ( -3.562 -24.192 -4.317) 24.831 17.596 ( 3.098 -12.100 -2.243) 12.690 17.760 ( -5.347 3.345 -2.517) 6.791 18.074 ( -2.990 -3.014 2.392) 4.873 18.222 ( 5.398 9.243 -2.851) 11.077 21.311 ( -4.929 -14.116 8.784) 17.341 21.410 ( -3.222 -8.629 2.479) 9.539 27.394 ( -1.197 2.505 0.884) 2.914 27.467 ( 1.629 0.797 -2.720) 3.269 36.438 ( 9.530 6.075 0.390) 11.309 36.757 ( -4.239 3.996 -2.223) 6.235 37.142 ( 16.086 5.351 3.714) 17.355 38.469 ( -0.381 39.766 -30.607) 50.182 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -3.994 6.920 3.178) 8.599 2.342 ( 14.734 -0.236 12.290) 19.188 2.481 ( -4.822 -1.517 -8.776) 10.128 3.126 ( 10.361 7.003 -7.686) 14.679 3.696 ( -4.923 5.975 16.631) 18.345 4.415 ( -16.215 -4.379 3.128) 17.085 4.816 ( 1.746 -13.176 0.773) 13.314 5.003 ( -0.444 -6.267 4.589) 7.781 6.333 ( 10.247 8.871 2.998) 13.881 6.508 ( 5.917 4.347 6.031) 9.502 6.928 ( 7.044 12.899 -6.559) 16.094 7.076 ( 0.002 6.863 -4.949) 8.461 9.655 ( 3.741 -0.093 5.038) 6.276 9.857 ( 10.445 5.108 13.332) 17.690 10.227 ( -5.816 -11.506 -11.851) 17.511 10.671 ( -4.396 -0.240 -10.229) 11.136 11.806 ( -18.159 -6.122 10.132) 21.677 12.145 ( -5.215 -21.270 -1.666) 21.963 17.467 ( -6.775 -5.768 1.878) 9.094 17.780 ( 6.310 -1.723 -7.965) 10.307 18.001 ( -2.342 -2.386 6.321) 7.150 18.354 ( 1.987 8.045 -4.907) 9.631 21.155 ( -5.030 -8.175 5.951) 11.293 21.267 ( -4.693 -8.048 0.985) 9.368 27.404 ( -1.115 3.255 0.716) 3.514 27.500 ( 2.506 1.314 -2.471) 3.756 36.653 ( 9.623 3.157 -0.405) 10.136 36.740 ( -0.839 4.308 -2.511) 5.056 37.575 ( 24.021 5.416 10.062) 26.600 38.576 ( -7.758 26.314 -26.611) 38.220 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -3.362 4.850 -7.159) 9.278 2.276 ( 2.986 -18.728 -9.140) 21.052 2.741 ( 12.240 10.548 11.771) 19.991 3.350 ( 7.826 11.696 -10.221) 17.393 3.663 ( -12.559 4.951 14.404) 19.741 4.133 ( -12.948 -4.247 8.712) 16.173 4.675 ( -0.900 -14.929 -1.216) 15.005 4.931 ( -1.192 -9.171 -0.865) 9.288 6.572 ( 3.331 5.235 2.547) 6.708 6.650 ( 8.026 -0.135 3.378) 8.709 7.119 ( 4.559 8.585 -0.873) 9.760 7.124 ( 0.180 11.026 -4.536) 11.924 9.721 ( 2.736 0.377 -1.053) 2.956 9.993 ( -3.352 -7.621 -9.800) 12.860 10.138 ( 7.587 5.217 9.892) 13.514 10.530 ( -5.166 -0.473 -6.948) 8.671 11.541 ( -11.462 -5.858 7.900) 15.103 11.872 ( -3.240 -19.468 1.265) 19.777 17.317 ( -8.293 -0.035 2.243) 8.591 17.711 ( -3.030 -8.100 -4.626) 9.808 18.118 ( 9.377 2.862 4.932) 10.975 18.400 ( 0.243 4.833 -5.607) 7.407 21.042 ( -4.048 -4.444 3.305) 6.860 21.123 ( -4.155 -6.052 0.204) 7.344 27.432 ( -0.208 4.106 0.605) 4.155 27.544 ( 2.379 0.978 -1.623) 3.041 36.761 ( 1.286 4.277 -2.120) 4.944 36.828 ( 7.006 1.144 -0.385) 7.109 38.119 ( 26.963 3.804 12.697) 30.045 38.466 ( -14.459 16.669 -21.581) 30.865 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -4.925 -4.152 -17.258) 18.421 2.163 ( 9.028 -14.515 -5.955) 18.101 3.078 ( 9.214 12.173 7.354) 16.946 3.313 ( -15.733 3.251 -10.723) 19.316 3.581 ( -10.986 8.434 10.102) 17.143 4.104 ( 1.917 1.589 9.719) 10.033 4.545 ( 2.386 -9.957 1.656) 10.372 4.784 ( -0.841 -13.310 -1.663) 13.440 6.573 ( -4.235 0.791 -2.578) 5.021 6.756 ( 3.820 -4.881 2.354) 6.630 7.197 ( -0.864 10.367 -0.738) 10.429 7.314 ( 6.011 8.139 3.089) 10.579 9.736 ( -0.202 2.725 -6.582) 7.127 9.900 ( 2.037 -0.174 -7.447) 7.722 10.186 ( -10.373 7.684 -4.629) 13.713 10.533 ( 7.662 -3.663 6.193) 10.511 11.384 ( -3.249 -8.063 4.980) 10.019 11.673 ( -0.094 -18.357 3.981) 18.784 17.219 ( -5.902 2.882 1.043) 6.650 17.556 ( -3.454 -7.461 -0.885) 8.269 18.242 ( -2.103 4.763 -3.815) 6.455 18.500 ( 11.039 0.724 2.374) 11.315 20.967 ( -2.456 -1.914 1.304) 3.376 21.017 ( -2.920 -3.756 0.122) 4.759 27.478 ( 0.444 4.167 0.051) 4.191 27.577 ( 1.369 0.261 -0.260) 1.418 36.814 ( 1.143 3.920 -1.416) 4.322 36.927 ( 4.400 -0.147 -0.473) 4.428 38.190 ( -19.533 11.169 -16.556) 27.936 38.688 ( 27.205 0.705 12.013) 29.748 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -0.206 -9.742 -14.942) 17.839 2.223 ( 13.174 -5.929 -7.434) 16.247 2.921 ( -22.873 -3.010 -4.221) 23.453 3.356 ( -0.407 22.052 -3.691) 22.363 3.602 ( 3.925 2.936 10.367) 11.468 4.096 ( -4.963 -2.235 1.232) 5.581 4.505 ( -1.086 -11.494 2.245) 11.762 4.777 ( 8.807 -2.685 5.174) 10.561 6.457 ( -7.063 -0.253 -3.083) 7.711 6.726 ( -1.683 -5.961 1.919) 6.484 7.267 ( -1.313 6.321 1.673) 6.669 7.474 ( 2.719 4.820 2.714) 6.164 9.720 ( -2.461 6.112 -8.587) 10.824 9.946 ( 3.495 5.428 -6.962) 9.495 10.048 ( -8.229 6.582 -5.916) 12.084 10.642 ( 4.570 -3.561 6.054) 8.380 11.330 ( 4.452 -8.720 3.251) 10.316 11.548 ( 2.303 -16.911 6.129) 18.134 17.186 ( -1.445 3.074 -0.864) 3.505 17.469 ( 0.540 -5.433 2.467) 5.992 18.189 ( -5.044 5.272 -5.909) 9.389 18.699 ( 8.693 -1.465 3.880) 9.632 20.942 ( 0.291 -0.070 0.200) 0.359 20.949 ( -2.037 -1.985 0.509) 2.889 27.514 ( -0.198 2.179 -0.727) 2.306 27.596 ( 0.372 0.666 0.832) 1.128 36.851 ( -0.214 2.741 -0.662) 2.828 36.972 ( 2.010 -0.501 -1.107) 2.349 37.865 ( -21.218 8.770 -10.722) 25.340 39.169 ( 24.280 -2.689 7.498) 25.553 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 7.785 -4.045 -3.027) 9.281 2.402 ( 15.041 1.045 -8.561) 17.338 2.499 ( -20.612 -5.221 1.417) 21.310 3.405 ( -11.029 18.694 -6.896) 22.773 3.893 ( 15.530 0.266 4.359) 16.132 4.000 ( -0.240 -0.610 1.324) 1.478 4.386 ( -0.471 -9.886 3.229) 10.411 4.858 ( -3.017 -1.579 5.607) 6.559 6.331 ( -7.228 1.416 0.380) 7.375 6.623 ( -4.823 -5.009 1.835) 7.191 7.280 ( -2.910 2.170 1.078) 3.787 7.511 ( -2.785 1.202 0.217) 3.040 9.660 ( -8.494 7.053 -4.158) 11.798 9.935 ( -4.556 4.708 -8.351) 10.614 10.100 ( 7.256 7.120 -4.614) 11.164 10.709 ( 4.911 -1.288 2.694) 5.748 11.388 ( 7.760 -9.896 4.693) 13.422 11.501 ( 7.517 -10.333 5.682) 13.984 17.221 ( 3.556 1.990 -2.233) 4.647 17.499 ( 5.655 -3.496 5.316) 8.512 18.138 ( -4.153 6.259 -5.814) 9.499 18.766 ( 0.325 -3.674 1.385) 3.940 20.905 ( -1.816 -1.120 1.466) 2.589 20.988 ( 4.157 1.156 0.119) 4.317 27.501 ( -1.845 -0.505 -0.161) 1.919 27.612 ( -0.168 1.488 -0.145) 1.504 36.848 ( -2.237 1.130 -0.096) 2.508 36.973 ( -0.122 -0.683 -3.091) 3.168 37.565 ( -19.878 9.329 -2.921) 22.152 39.508 ( 18.689 -6.151 -1.215) 19.713 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 0.000 4.407 2.735) 5.186 2.258 ( 0.000 -8.885 10.121) 13.467 2.605 ( -0.000 -9.705 -8.715) 13.044 2.897 ( -0.000 8.047 -4.102) 9.032 3.743 ( 0.000 21.324 18.890) 28.487 4.716 ( -0.000 -9.174 -7.529) 11.869 4.798 ( 0.000 -10.717 10.062) 14.701 4.996 ( 0.000 -4.169 8.803) 9.740 6.113 ( -0.000 5.618 -0.840) 5.681 6.405 ( 0.000 10.454 10.799) 15.030 6.773 ( -0.000 18.279 -9.411) 20.559 7.062 ( -0.000 7.336 -3.752) 8.239 9.606 ( 0.000 0.064 15.866) 15.866 9.627 ( 0.000 1.139 6.521) 6.620 10.330 ( -0.000 -16.132 -12.242) 20.251 10.746 ( -0.000 3.998 -9.447) 10.258 12.218 ( -0.000 -23.470 -4.332) 23.866 12.257 ( 0.000 -6.385 7.855) 10.123 17.413 ( -0.000 -11.926 -4.586) 12.777 17.809 ( -0.000 -3.359 -0.057) 3.359 18.104 ( 0.000 -3.868 3.863) 5.466 18.268 ( -0.000 15.950 -4.172) 16.486 21.257 ( 0.000 -12.387 6.843) 14.152 21.356 ( 0.000 -9.983 1.647) 10.118 27.441 ( -0.000 0.506 -3.032) 3.074 27.441 ( 0.000 3.462 1.026) 3.611 36.436 ( 0.000 8.766 -0.170) 8.768 36.893 ( 0.000 4.802 5.211) 7.086 37.001 ( -0.000 4.073 -1.342) 4.289 38.715 ( -0.000 35.672 -25.657) 43.940 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 7.913 3.923 1.367) 8.938 2.081 ( 2.342 -24.911 -3.376) 25.248 2.524 ( -2.984 0.070 4.210) 5.161 3.020 ( 7.308 7.403 -3.072) 10.847 3.984 ( -5.227 16.856 15.168) 23.271 4.514 ( -4.762 -12.826 -7.936) 15.816 4.713 ( -1.930 -11.227 5.704) 12.740 4.995 ( -3.185 -2.761 5.501) 6.930 6.241 ( 8.642 4.923 2.087) 10.163 6.569 ( 0.861 9.413 8.882) 12.971 6.920 ( 4.372 13.105 -7.993) 15.960 7.141 ( -0.003 11.306 -3.433) 11.815 9.629 ( 0.811 -3.313 6.451) 7.297 9.757 ( 8.664 -3.621 10.485) 14.075 10.117 ( -1.029 -12.247 -9.349) 15.442 10.720 ( -3.999 5.184 -7.315) 9.817 11.957 ( -4.309 -17.831 -1.442) 18.401 12.120 ( -12.170 -6.630 5.209) 14.805 17.342 ( 6.565 -11.074 -2.120) 13.047 17.740 ( -3.037 -2.621 -2.348) 4.648 18.060 ( -2.692 -2.811 5.378) 6.639 18.409 ( 0.253 13.972 -5.089) 14.872 21.162 ( -2.305 -8.654 4.832) 10.176 21.243 ( -2.286 -9.615 0.528) 9.897 27.438 ( 0.583 1.014 -1.559) 1.949 27.483 ( 0.324 3.718 -0.360) 3.749 36.567 ( 5.475 7.043 -0.688) 8.947 36.837 ( -6.359 4.333 1.025) 7.763 37.285 ( 19.999 3.391 6.812) 21.398 38.853 ( -6.634 27.952 -21.744) 36.029 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 7.158 -25.135 -4.232) 26.475 2.111 ( -4.925 2.377 -3.903) 6.719 2.654 ( 13.110 2.454 13.504) 18.981 3.238 ( 11.468 8.731 -5.458) 15.412 4.049 ( -12.296 13.849 12.825) 22.527 4.255 ( -6.708 -12.557 -4.069) 14.807 4.581 ( -3.926 -10.892 4.010) 12.253 4.866 ( -5.664 -7.611 -4.786) 10.626 6.472 ( 11.244 1.003 4.422) 12.123 6.679 ( -1.669 6.664 4.276) 8.092 7.092 ( 6.400 9.799 -3.579) 12.239 7.228 ( -0.882 12.018 -4.124) 12.737 9.661 ( 3.984 -2.604 2.605) 5.426 9.843 ( 4.011 -11.656 -1.042) 12.371 10.072 ( 8.519 -1.127 3.851) 9.416 10.631 ( -8.279 5.111 -6.363) 11.626 11.717 ( -6.502 -13.331 1.487) 14.906 11.822 ( -15.589 -7.493 2.427) 17.466 17.358 ( 4.232 -7.481 3.078) 9.130 17.640 ( -2.689 -4.178 -5.899) 7.712 18.065 ( 2.884 0.029 6.677) 7.273 18.470 ( -3.710 10.526 -6.480) 12.906 21.069 ( -2.854 -5.353 2.913) 6.729 21.116 ( -2.675 -7.432 -0.126) 7.900 27.464 ( 1.380 1.602 0.092) 2.117 27.521 ( 0.563 3.464 -1.406) 3.781 36.721 ( 6.198 4.270 -0.682) 7.557 36.813 ( -1.856 4.297 -0.274) 4.688 37.745 ( 26.053 0.728 10.524) 28.108 38.808 ( -14.680 20.762 -17.700) 30.981 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 9.749 -21.698 -1.123) 23.814 1.929 ( -11.853 2.410 -9.100) 15.137 3.000 ( 13.989 0.840 15.782) 21.106 3.444 ( 1.494 8.654 -11.801) 14.710 4.007 ( -16.551 16.931 8.444) 25.138 4.092 ( 4.296 -7.922 6.066) 10.863 4.422 ( -3.145 -10.324 1.757) 10.934 4.640 ( -3.809 -13.245 -9.550) 16.767 6.632 ( 7.002 -3.991 2.838) 8.545 6.678 ( -5.452 3.401 0.305) 6.433 7.288 ( 6.958 7.969 -0.318) 10.584 7.306 ( -0.708 10.081 -1.686) 10.246 9.735 ( 3.230 2.664 -0.889) 4.281 9.789 ( 3.671 -4.396 -3.771) 6.857 10.285 ( 12.627 -2.479 6.846) 14.576 10.484 ( -10.927 4.845 -5.628) 13.212 11.477 ( -11.905 -7.507 3.766) 14.569 11.536 ( -5.020 -14.269 -0.039) 15.127 17.342 ( -3.263 -1.756 4.937) 6.173 17.510 ( -2.309 -6.797 -5.055) 8.780 18.234 ( 10.608 1.796 5.727) 12.189 18.438 ( -5.189 6.848 -6.696) 10.893 20.994 ( -2.499 -2.890 1.369) 4.059 21.017 ( -1.930 -4.540 -0.203) 4.938 27.511 ( 1.250 2.462 1.036) 2.949 27.553 ( 0.931 1.997 -1.564) 2.702 36.831 ( 1.682 3.650 -0.062) 4.019 36.854 ( 3.594 2.496 -1.079) 4.507 38.251 ( 27.999 -2.742 10.242) 29.939 38.602 ( -20.469 15.450 -13.029) 28.765 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -11.123 -2.418 -3.757) 11.987 1.891 ( 12.916 -7.723 -5.627) 16.067 3.242 ( -17.651 1.126 -6.931) 18.996 3.300 ( 12.475 -1.130 10.403) 16.282 3.925 ( -17.206 18.209 2.084) 25.139 4.174 ( -4.060 -1.078 4.805) 6.382 4.396 ( 0.627 -9.627 -3.209) 10.167 4.479 ( 18.258 -9.487 -1.888) 20.662 6.583 ( -7.562 1.594 -1.175) 7.817 6.674 ( 2.440 -5.478 2.113) 6.358 7.363 ( -1.758 6.252 1.264) 6.616 7.458 ( 5.122 4.134 -0.069) 6.583 9.783 ( -0.592 7.757 -3.613) 8.577 9.876 ( 6.958 3.487 -3.514) 8.539 10.295 ( -13.866 8.007 -4.847) 16.729 10.493 ( 11.307 -6.225 5.263) 13.939 11.258 ( -5.432 -7.802 2.142) 9.745 11.366 ( 1.123 -15.642 2.209) 15.837 17.277 ( -5.467 1.081 2.028) 5.931 17.409 ( 0.366 -6.506 -0.729) 6.557 18.332 ( -7.025 8.083 -3.616) 11.304 18.507 ( 12.747 -2.128 2.124) 13.097 20.947 ( -1.147 -1.020 0.396) 1.585 20.958 ( -1.290 -2.282 0.066) 2.622 27.547 ( -0.859 2.776 -0.352) 2.927 27.581 ( 1.922 0.158 0.256) 1.946 36.878 ( 0.260 3.157 -0.006) 3.168 36.925 ( 2.912 0.953 -1.229) 3.301 38.308 ( -23.252 13.130 -7.009) 27.607 38.720 ( 26.897 -6.769 5.810) 28.338 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.251 8.069 2.718) 8.606 2.070 ( 17.133 -2.691 -5.870) 18.310 2.861 ( -22.647 1.047 -1.778) 22.741 3.589 ( 18.158 -5.654 6.492) 20.095 3.790 ( -16.715 14.250 -2.056) 22.061 4.076 ( -6.632 0.439 -0.156) 6.649 4.289 ( 1.519 -8.400 -0.092) 8.537 4.746 ( 13.806 -4.183 -0.169) 14.426 6.477 ( -6.608 2.895 1.065) 7.292 6.643 ( -1.301 -4.497 2.287) 5.211 7.367 ( -3.857 2.043 1.918) 4.767 7.524 ( 1.007 -0.457 -1.695) 2.024 9.828 ( -2.974 10.779 -3.742) 11.791 10.011 ( 3.294 6.715 -4.311) 8.633 10.130 ( -9.621 6.245 -2.786) 11.803 10.603 ( 6.392 -4.957 1.916) 8.312 11.201 ( 5.332 -6.837 2.515) 9.028 11.294 ( 5.600 -12.482 3.759) 14.188 17.225 ( -2.198 1.334 0.032) 2.571 17.398 ( 4.187 -4.508 2.793) 6.757 18.270 ( -6.626 7.542 -3.458) 10.618 18.663 ( 7.373 -4.179 0.198) 8.477 20.924 ( -1.113 -0.994 0.607) 1.611 20.947 ( 1.597 0.141 0.196) 1.616 27.536 ( -2.162 0.957 -0.443) 2.405 27.612 ( 1.110 0.058 0.143) 1.121 36.895 ( -1.390 1.912 0.164) 2.369 36.954 ( 0.671 0.274 -2.154) 2.272 38.028 ( -22.314 13.183 0.074) 25.918 39.069 ( 22.584 -10.203 -1.794) 24.847 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -0.000 -33.126 -7.088) 33.875 1.940 ( 0.000 1.643 0.483) 1.713 2.610 ( 0.000 -0.339 9.031) 9.037 2.990 ( 0.000 3.150 -0.174) 3.155 4.282 ( 0.000 18.398 10.817) 21.342 4.348 ( -0.000 -15.916 -10.226) 18.918 4.633 ( 0.000 -11.618 0.856) 11.650 5.074 ( 0.000 -0.335 7.621) 7.628 6.211 ( 0.000 3.321 2.832) 4.365 6.703 ( 0.000 8.746 7.931) 11.807 6.960 ( -0.000 11.588 -7.822) 13.981 7.248 ( -0.000 12.725 -2.979) 13.069 9.628 ( 0.000 -11.158 9.035) 14.358 9.640 ( 0.000 -3.155 2.894) 4.281 9.969 ( -0.000 -10.227 -4.403) 11.135 10.790 ( -0.000 6.581 -4.774) 8.130 11.821 ( -0.000 -13.058 -2.711) 13.337 12.208 ( 0.000 -5.100 4.079) 6.530 17.158 ( -0.000 -9.440 -3.062) 9.925 17.723 ( -0.000 -4.670 -0.349) 4.683 18.070 ( 0.000 -4.266 4.590) 6.266 18.544 ( -0.000 16.367 -4.661) 17.018 21.123 ( 0.000 -7.224 3.467) 8.013 21.167 ( -0.000 -9.629 -0.110) 9.629 27.425 ( -0.000 0.982 -2.639) 2.816 27.525 ( 0.000 3.805 0.771) 3.883 36.594 ( -0.000 7.767 -0.629) 7.793 37.054 ( 0.000 2.345 10.976) 11.224 37.058 ( -0.000 2.883 -1.080) 3.079 39.073 ( -0.000 24.997 -18.101) 30.863 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 7.023 -30.210 0.592) 31.021 2.086 ( 10.429 2.845 1.434) 10.905 2.605 ( -1.019 -1.454 9.612) 9.775 3.093 ( 8.974 0.980 -0.040) 9.027 4.127 ( -2.083 -13.435 -10.180) 16.985 4.435 ( -7.194 12.528 11.500) 18.465 4.518 ( -0.058 -8.192 -5.492) 9.863 4.985 ( -11.670 -3.156 2.673) 12.381 6.332 ( 8.169 0.580 4.599) 9.392 6.795 ( -1.520 5.766 4.092) 7.232 7.070 ( 4.449 9.691 -5.140) 11.838 7.340 ( -0.948 11.246 -3.735) 11.888 9.564 ( 2.625 -8.794 4.190) 10.089 9.679 ( 4.940 -5.571 3.317) 8.151 9.916 ( 5.275 -6.375 1.146) 8.354 10.784 ( -5.084 5.803 -3.906) 8.647 11.672 ( -3.967 -9.003 -1.951) 10.030 12.058 ( -13.066 -4.584 1.749) 13.957 17.146 ( 8.583 -6.925 -0.978) 11.072 17.650 ( -3.227 -3.957 -0.948) 5.194 18.052 ( 0.530 -3.606 4.872) 6.085 18.638 ( -4.019 13.919 -5.073) 15.350 21.064 ( -1.289 -5.513 1.800) 5.941 21.071 ( -0.946 -7.280 -0.146) 7.343 27.438 ( 1.636 1.238 -1.620) 2.614 27.559 ( -0.350 3.365 0.207) 3.390 36.689 ( 3.125 5.947 -0.468) 6.734 36.927 ( -6.972 2.633 2.493) 7.858 37.394 ( 20.661 -0.746 8.817) 22.476 39.137 ( -9.094 20.671 -14.594) 26.888 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 12.088 -19.909 7.501) 24.469 2.124 ( -9.171 2.259 -4.022) 10.266 2.805 ( 16.220 -2.987 16.355) 23.227 3.306 ( 15.292 3.645 -4.414) 16.328 3.933 ( -0.817 -10.301 -8.058) 13.103 4.369 ( -1.888 -10.986 1.937) 11.314 4.469 ( -10.834 15.049 -0.188) 18.544 4.695 ( -16.760 -5.446 0.180) 17.624 6.482 ( 7.964 -3.260 3.007) 9.115 6.796 ( -4.329 2.110 0.299) 4.825 7.233 ( 6.900 7.095 -2.450) 10.196 7.404 ( -0.933 8.819 -2.552) 9.228 9.601 ( 7.576 -4.587 2.065) 9.094 9.733 ( 3.487 0.240 3.032) 4.628 10.028 ( 12.564 -6.397 4.226) 14.719 10.700 ( -8.763 5.421 -3.757) 10.968 11.485 ( -7.020 -8.366 -1.482) 11.021 11.740 ( -18.520 -4.433 -0.177) 19.044 17.248 ( 8.736 -5.319 0.303) 10.232 17.533 ( -5.837 -2.728 -1.171) 6.549 18.101 ( 6.472 -2.140 4.856) 8.370 18.627 ( -7.994 10.677 -4.846) 14.191 20.992 ( -0.812 -4.442 -0.263) 4.523 21.007 ( -1.635 -3.316 0.807) 3.784 27.483 ( 2.721 1.030 -0.210) 2.917 27.581 ( -0.531 2.775 -0.469) 2.864 36.796 ( 3.911 3.616 -0.255) 5.333 36.889 ( -2.119 2.692 1.462) 3.725 37.805 ( 25.272 -4.862 8.864) 27.219 39.029 ( -17.269 16.870 -10.472) 26.315 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 13.564 -8.919 7.618) 17.932 1.900 ( -15.243 4.511 -6.091) 17.023 3.073 ( 13.440 -9.791 13.244) 21.258 3.472 ( -6.540 7.993 -10.551) 14.764 3.959 ( 21.868 -8.188 -0.857) 23.367 4.232 ( -1.626 -10.630 -1.890) 10.918 4.367 ( -10.578 -4.652 -2.005) 11.729 4.436 ( -15.547 17.416 4.413) 23.759 6.564 ( 5.466 -4.774 1.268) 7.367 6.704 ( -6.354 -0.210 -1.741) 6.592 7.388 ( 6.230 2.780 -1.728) 7.038 7.453 ( -1.177 5.528 0.442) 5.669 9.744 ( 9.865 1.248 1.486) 10.054 9.838 ( 2.763 6.989 1.430) 7.650 10.220 ( 14.610 -7.458 4.849) 17.105 10.564 ( -11.334 5.552 -3.912) 13.213 11.281 ( -5.798 -8.459 -0.727) 10.282 11.392 ( -15.829 -4.818 -1.154) 16.586 17.299 ( 3.581 -5.099 -0.410) 6.244 17.404 ( -6.584 -0.809 -0.450) 6.648 18.273 ( 12.413 -1.879 3.785) 13.112 18.549 ( -9.283 8.557 -3.078) 12.995 20.951 ( -0.506 -1.823 -0.090) 1.894 20.958 ( -1.341 -1.738 0.050) 2.196 27.539 ( 2.816 0.220 0.593) 2.887 27.589 ( -0.933 2.079 -0.690) 2.381 36.881 ( 3.194 1.745 -0.265) 3.650 36.907 ( 0.008 2.411 1.008) 2.613 38.215 ( 26.413 -8.869 5.260) 28.354 38.803 ( -22.082 14.720 -5.165) 27.036 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 6.553 3.718 -12.222) 14.357 1.736 ( -0.057 7.534 12.222) 14.357 3.240 ( -19.628 6.103 -5.158) 21.192 3.240 ( 15.099 -13.946 5.158) 21.192 4.099 ( 2.030 -8.867 -3.015) 9.583 4.099 ( -8.694 -2.676 3.015) 9.583 4.385 ( 15.367 -1.148 -2.316) 15.583 4.385 ( -8.678 12.735 2.316) 15.583 6.596 ( -4.708 0.536 -0.654) 4.784 6.596 ( 2.818 -3.810 0.654) 4.784 7.461 ( 3.210 -2.076 -2.610) 4.629 7.461 ( -3.403 1.742 2.610) 4.629 9.947 ( 2.945 8.096 -2.694) 9.026 9.947 ( 5.539 6.598 2.694) 9.026 10.394 ( -6.110 2.015 -4.762) 8.005 10.394 ( 4.800 -4.284 4.762) 8.005 11.154 ( -4.065 -3.814 -1.161) 5.694 11.154 ( -1.271 -5.428 1.161) 5.694 17.300 ( -2.009 -1.183 -0.920) 2.507 17.300 ( -0.020 -2.332 0.920) 2.507 18.466 ( -7.183 6.812 -0.873) 9.938 18.466 ( 9.491 -2.814 0.873) 9.938 20.933 ( -0.220 -0.573 -0.083) 0.619 20.933 ( -0.386 -0.477 0.083) 0.619 27.581 ( -1.465 1.144 -0.383) 1.898 27.581 ( 1.723 -0.696 0.383) 1.898 36.931 ( 1.543 0.508 -1.044) 1.931 36.931 ( -0.332 1.590 1.044) 1.931 38.552 ( 24.105 -12.258 -1.570) 27.089 38.552 ( -22.669 14.747 1.570) 27.089 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 -21.765 17.385) 27.855 2.009 ( 0.000 3.183 5.086) 6.000 2.650 ( 0.000 -4.787 8.203) 9.498 2.998 ( -0.000 -2.081 -0.642) 2.178 3.979 ( -0.000 -9.047 -10.441) 13.816 4.389 ( -0.000 -10.490 -5.095) 11.662 4.667 ( 0.000 12.866 4.210) 13.537 5.078 ( 0.000 -4.269 0.906) 4.364 6.288 ( 0.000 -0.391 6.050) 6.063 6.864 ( 0.000 2.061 1.962) 2.845 7.092 ( -0.000 8.639 -5.313) 10.142 7.427 ( -0.000 8.781 -4.146) 9.710 9.472 ( 0.000 -9.503 6.690) 11.622 9.625 ( 0.000 -0.779 3.945) 4.021 9.819 ( 0.000 -5.400 2.308) 5.873 10.852 ( -0.000 3.265 -3.697) 4.932 11.639 ( -0.000 -4.179 -2.128) 4.690 12.131 ( -0.000 -4.767 -1.016) 4.874 17.013 ( -0.000 -3.309 -0.018) 3.309 17.640 ( -0.000 -3.021 -0.499) 3.062 18.029 ( 0.000 -4.473 4.242) 6.164 18.779 ( -0.000 11.969 -4.774) 12.886 21.007 ( -0.000 -5.902 -0.517) 5.925 21.036 ( 0.000 -4.271 1.146) 4.422 27.432 ( -0.000 1.923 -1.316) 2.330 27.589 ( 0.000 1.991 0.107) 1.993 36.719 ( 0.000 5.401 -0.286) 5.408 37.085 ( -0.000 1.180 -1.512) 1.918 37.181 ( 0.000 -2.850 14.048) 14.334 39.340 ( -0.000 18.543 -11.848) 22.005 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 3.550 -6.150 26.595) 27.526 2.174 ( 6.055 3.062 4.387) 8.080 2.646 ( 4.646 -5.037 10.433) 12.482 3.055 ( 10.584 -3.031 -2.204) 11.228 3.856 ( -1.972 -1.866 -10.225) 10.579 4.259 ( -0.498 -9.737 -5.406) 11.148 4.727 ( -6.907 6.860 0.098) 9.736 4.927 ( -10.419 -2.855 0.004) 10.803 6.354 ( 5.096 -2.968 4.693) 7.537 6.851 ( -1.991 -1.716 -0.845) 2.760 7.182 ( 4.447 6.029 -3.650) 8.333 7.473 ( -0.362 6.103 -3.730) 7.161 9.474 ( 4.556 -4.388 6.929) 9.382 9.692 ( 4.264 1.226 5.985) 7.449 9.841 ( 5.579 -2.890 3.528) 7.206 10.819 ( -3.866 1.433 -4.095) 5.811 11.546 ( -6.143 -2.425 -2.270) 6.984 11.961 ( -12.360 -4.798 -3.404) 13.688 17.070 ( 7.134 -0.718 1.032) 7.244 17.587 ( -3.261 -1.336 -0.923) 3.643 18.025 ( 2.359 -3.662 4.382) 6.179 18.812 ( -4.807 8.189 -4.480) 10.499 20.960 ( -0.106 -2.760 -0.321) 2.781 20.997 ( -0.682 -3.199 0.218) 3.278 27.460 ( 1.390 1.969 -0.267) 2.425 27.601 ( 0.035 0.885 -0.420) 0.981 36.781 ( 1.982 3.630 -0.115) 4.137 36.982 ( -5.791 0.304 2.656) 6.379 37.425 ( 18.514 -5.748 9.353) 21.524 39.373 ( -9.685 16.035 -8.599) 20.612 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 4.591 1.094 16.320) 16.989 2.160 ( -10.193 5.493 0.166) 11.580 2.803 ( 11.649 -13.698 10.982) 21.070 3.336 ( 23.643 3.601 -1.252) 23.948 3.760 ( -5.025 3.329 -9.253) 11.043 4.135 ( -0.522 -8.452 -3.548) 9.181 4.525 ( -13.074 -5.689 -1.082) 14.299 4.810 ( -9.258 9.414 0.928) 13.236 6.424 ( 5.778 -4.685 1.341) 7.558 6.761 ( -3.889 -4.018 -2.563) 6.151 7.298 ( 5.610 1.995 -2.230) 6.358 7.505 ( 0.201 3.423 -1.304) 3.668 9.609 ( 9.140 0.786 5.903) 10.909 9.840 ( 5.922 4.181 6.505) 9.740 9.970 ( 9.714 -2.463 4.198) 10.865 10.720 ( -6.273 0.897 -4.139) 7.569 11.374 ( -10.108 -0.778 -2.466) 10.434 11.630 ( -17.652 -4.503 -4.527) 18.771 17.181 ( 5.326 -1.020 -0.092) 5.424 17.500 ( -5.519 0.287 -1.614) 5.758 18.106 ( 7.779 -1.904 4.899) 9.388 18.751 ( -7.295 5.349 -2.806) 9.471 20.945 ( -0.200 -0.107 -0.150) 0.272 20.957 ( -0.798 -2.068 -0.475) 2.267 27.504 ( 1.904 0.675 0.565) 2.097 27.607 ( 0.185 0.664 -0.642) 0.942 36.846 ( 2.667 1.495 0.026) 3.057 36.943 ( -1.447 0.717 2.572) 3.037 37.738 ( 22.269 -9.569 5.994) 24.968 39.257 ( -17.024 14.396 -4.171) 22.682 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 10.326 39.464) 40.793 2.148 ( 0.000 2.053 8.779) 9.015 2.607 ( 0.000 -5.806 5.559) 8.038 2.915 ( -0.000 -3.052 -2.991) 4.274 3.847 ( -0.000 6.736 -9.543) 11.681 4.151 ( -0.000 -7.997 -5.347) 9.620 4.844 ( -0.000 3.138 -1.420) 3.444 4.923 ( -0.000 -8.410 -6.549) 10.659 6.312 ( 0.000 -3.465 5.973) 6.905 6.823 ( -0.000 -5.649 -1.815) 5.934 7.176 ( -0.000 4.493 -3.601) 5.758 7.497 ( -0.000 2.716 -4.316) 5.100 9.438 ( 0.000 -3.166 9.211) 9.740 9.706 ( 0.000 2.667 7.411) 7.877 9.820 ( 0.000 2.720 5.044) 5.731 10.829 ( -0.000 -0.620 -4.913) 4.952 11.581 ( -0.000 0.377 -2.410) 2.439 11.991 ( -0.000 -5.773 -6.595) 8.765 17.040 ( 0.000 4.203 3.538) 5.494 17.605 ( -0.000 0.720 -2.081) 2.202 17.990 ( 0.000 -3.842 4.439) 5.871 18.885 ( -0.000 3.432 -4.682) 5.805 20.947 ( -0.000 0.305 -0.114) 0.326 20.972 ( -0.000 -2.883 -0.561) 2.938 27.473 ( 0.000 2.726 0.338) 2.747 27.595 ( -0.000 -1.044 -0.855) 1.350 36.795 ( -0.000 2.643 -0.221) 2.652 37.074 ( -0.000 -0.333 -2.217) 2.242 37.220 ( 0.000 -8.464 15.223) 17.418 39.565 ( -0.000 14.408 -6.506) 15.809 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -10.788 9.426 25.361) 29.127 2.296 ( 4.956 2.888 8.251) 10.049 2.587 ( 1.669 -9.221 5.358) 10.794 3.014 ( 15.381 1.991 1.103) 15.548 3.880 ( -3.156 14.020 -8.742) 16.821 4.052 ( -0.279 -6.775 -3.193) 7.495 4.650 ( -10.922 -7.960 -5.469) 14.580 4.896 ( 1.925 -1.966 -5.434) 6.091 6.318 ( 2.392 -5.066 3.164) 6.434 6.735 ( -1.450 -7.417 -1.976) 7.811 7.226 ( 3.470 1.771 -2.252) 4.500 7.496 ( 1.238 -0.199 -3.128) 3.370 9.510 ( 5.965 -1.826 8.072) 10.202 9.805 ( 3.883 1.299 8.683) 9.600 9.930 ( 3.039 7.733 5.963) 10.227 10.772 ( -2.806 -0.036 -5.020) 5.751 11.526 ( -6.874 3.268 -2.415) 7.985 11.797 ( -10.752 -5.872 -8.410) 14.860 17.141 ( 2.335 5.474 3.566) 6.937 17.576 ( -3.487 2.366 -3.649) 5.574 18.014 ( 4.125 -2.230 5.469) 7.204 18.847 ( -3.009 -0.324 -3.741) 4.812 20.938 ( -0.287 -2.473 -1.206) 2.766 20.963 ( -0.231 2.975 -0.040) 2.985 27.501 ( -0.030 1.325 0.763) 1.529 27.587 ( 1.422 -1.060 -0.909) 1.993 36.823 ( 1.295 0.790 -0.194) 1.530 36.996 ( -3.567 -1.271 2.466) 4.519 37.362 ( 14.943 -10.072 8.920) 20.107 39.593 ( -8.999 13.138 -3.402) 16.284 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.000 4.374 26.002) 26.368 2.164 ( 0.000 -7.584 1.762) 7.786 2.630 ( 0.000 5.238 8.782) 10.226 2.908 ( 0.000 3.688 2.629) 4.530 3.975 ( -0.000 -6.462 -1.899) 6.735 4.038 ( -0.000 20.844 -7.666) 22.209 4.646 ( -0.000 -9.175 -11.439) 14.664 4.733 ( -0.000 -10.494 -6.992) 12.610 6.254 ( 0.000 -8.054 2.378) 8.397 6.669 ( 0.000 -7.222 0.745) 7.261 7.201 ( -0.000 1.213 -1.721) 2.106 7.440 ( -0.000 -4.392 -3.776) 5.792 9.471 ( 0.000 -3.957 7.582) 8.552 9.826 ( 0.000 -1.105 9.177) 9.243 10.043 ( 0.000 12.870 7.422) 14.857 10.781 ( -0.000 2.941 -5.063) 5.855 11.629 ( -0.000 7.760 -1.350) 7.876 11.773 ( -0.000 -6.768 -11.793) 13.597 17.234 ( 0.000 9.900 6.307) 11.738 17.618 ( -0.000 4.311 -5.445) 6.945 17.982 ( 0.000 -2.028 5.772) 6.118 18.819 ( -0.000 -5.274 -4.039) 6.643 20.907 ( -0.000 -2.643 -1.949) 3.284 21.008 ( 0.000 5.478 -0.007) 5.478 27.536 ( 0.000 2.498 1.449) 2.888 27.536 ( -0.000 -3.390 -1.646) 3.768 36.814 ( -0.000 -0.462 -0.639) 0.789 37.032 ( -0.000 -1.138 -2.744) 2.971 37.171 ( 0.000 -12.190 15.523) 19.737 39.776 ( -0.000 11.987 -2.046) 12.160 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 -0.000 27.750) 27.750 1.395 ( 0.000 0.000 27.750) 27.750 2.282 ( 0.000 0.000 46.775) 46.775 2.763 ( 0.000 0.000 1.829) 1.829 2.763 ( 0.000 0.000 1.829) 1.829 5.002 ( 0.000 0.000 7.558) 7.558 5.002 ( 0.000 0.000 7.558) 7.558 5.388 ( -0.000 -0.000 -18.014) 18.014 5.712 ( 0.000 0.000 16.943) 16.943 6.037 ( -0.000 -0.000 -8.418) 8.418 6.037 ( -0.000 -0.000 -8.418) 8.418 7.110 ( -0.000 -0.000 -8.368) 8.368 9.072 ( 0.000 0.000 18.763) 18.763 9.072 ( 0.000 0.000 18.763) 18.763 11.050 ( -0.000 -0.000 -14.972) 14.972 11.050 ( -0.000 -0.000 -14.972) 14.972 12.503 ( 0.000 0.000 5.476) 5.476 13.368 ( -0.000 -0.000 -9.131) 9.131 17.757 ( 0.000 -0.000 3.241) 3.241 17.757 ( 0.000 0.000 3.241) 3.241 18.115 ( -0.000 -0.000 -2.930) 2.930 18.115 ( -0.000 0.000 -2.930) 2.930 21.634 ( 0.000 0.000 6.192) 6.192 22.328 ( -0.000 -0.000 -5.626) 5.626 27.354 ( 0.000 0.000 1.356) 1.356 27.493 ( -0.000 -0.000 -1.052) 1.052 36.168 ( 0.000 0.000 5.199) 5.199 36.168 ( 0.000 0.000 5.199) 5.199 36.790 ( -0.000 -0.000 -5.516) 5.516 36.790 ( -0.000 0.000 -5.516) 5.516 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 1.744 1.007 23.430) 23.516 1.636 ( -0.359 -0.208 25.816) 25.820 2.613 ( -5.384 -3.108 -1.287) 6.349 2.765 ( 19.357 11.176 38.253) 44.304 2.978 ( 10.224 5.903 -0.996) 11.848 4.931 ( -9.849 -5.686 2.235) 11.590 4.971 ( -4.867 -2.810 15.328) 16.326 5.319 ( 1.294 0.747 -12.013) 12.106 5.820 ( 2.470 1.426 2.757) 3.967 6.112 ( 9.541 5.508 -9.292) 14.412 6.142 ( 12.765 7.370 1.174) 14.787 7.057 ( -0.502 -0.290 -8.653) 8.673 9.217 ( 4.928 2.845 18.774) 19.617 9.281 ( 8.089 4.670 16.621) 19.066 10.858 ( -7.139 -4.122 -15.979) 17.980 10.991 ( -0.609 -0.352 -15.229) 15.246 12.390 ( -12.948 -7.476 9.471) 17.699 13.189 ( -10.866 -6.274 -8.371) 15.083 17.679 ( -4.445 -2.566 0.930) 5.216 17.906 ( 7.443 4.297 3.513) 9.284 17.996 ( -4.415 -2.549 -3.803) 6.360 18.154 ( 0.727 0.420 -2.097) 2.259 21.620 ( -4.019 -2.321 5.809) 7.435 21.979 ( -23.079 -13.325 4.250) 26.986 27.354 ( -0.598 -0.345 1.223) 1.405 27.475 ( -0.461 -0.266 -1.205) 1.318 36.343 ( 8.685 5.014 6.195) 11.788 36.699 ( -1.153 -0.666 -7.056) 7.180 36.781 ( 44.903 25.925 -18.507) 55.054 36.903 ( 9.403 5.429 -2.527) 11.147 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 9.580 5.531 14.710) 18.405 1.719 ( -0.910 -0.525 17.464) 17.495 2.558 ( 2.339 1.350 -2.313) 3.556 3.098 ( 4.019 2.320 1.901) 5.015 3.396 ( 16.312 9.418 20.563) 27.885 4.632 ( -15.541 -8.972 -2.077) 18.065 4.973 ( -2.861 -1.652 20.471) 20.736 5.277 ( -2.373 -1.370 -4.799) 5.526 5.940 ( 9.508 5.489 -1.817) 11.128 6.320 ( 12.454 7.190 -10.847) 18.013 6.493 ( 14.682 8.477 5.003) 17.676 7.013 ( 0.327 0.189 -7.479) 7.489 9.472 ( 9.162 5.290 17.015) 20.036 9.535 ( 7.457 4.305 10.725) 13.754 10.603 ( -7.889 -4.555 -14.023) 16.722 10.860 ( -4.562 -2.634 -14.702) 15.617 12.069 ( -19.247 -11.112 13.253) 25.876 12.848 ( -15.294 -8.830 -5.253) 18.425 17.548 ( -7.546 -4.357 -1.509) 8.843 17.937 ( 1.759 1.016 -2.437) 3.172 18.087 ( 6.711 3.875 0.948) 7.807 18.119 ( -2.894 -1.671 -1.341) 3.601 21.515 ( -7.319 -4.225 3.875) 9.297 21.537 ( -18.114 -10.458 8.897) 22.730 27.341 ( -0.893 -0.515 0.771) 1.287 27.476 ( 1.273 0.735 -1.688) 2.238 36.584 ( 9.264 5.349 5.395) 11.981 36.648 ( 0.345 0.199 -6.568) 6.580 37.209 ( 17.491 10.098 4.487) 20.689 37.583 ( 34.558 19.952 -34.205) 52.558 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 3.090 1.784 3.031) 4.682 1.968 ( 10.537 6.083 3.506) 12.662 2.715 ( 11.517 6.649 0.034) 13.298 3.142 ( 0.451 0.260 -2.190) 2.251 3.674 ( 0.134 0.078 15.597) 15.598 4.262 ( -16.133 -9.314 1.896) 18.725 5.045 ( 0.099 0.057 16.053) 16.054 5.144 ( -7.567 -4.369 -3.311) 9.344 6.232 ( 15.434 8.911 3.283) 18.122 6.519 ( 9.826 5.673 -12.060) 16.559 6.802 ( 10.249 5.917 5.215) 12.932 6.990 ( 0.438 0.253 -5.883) 5.904 9.706 ( 4.296 2.480 3.786) 6.241 9.755 ( 7.982 4.608 10.416) 13.908 10.412 ( -2.861 -1.652 -6.607) 7.387 10.620 ( -10.611 -6.126 -13.217) 18.022 11.740 ( -14.466 -8.352 12.352) 20.775 12.491 ( -14.376 -8.300 -0.954) 16.627 17.344 ( -8.777 -5.067 -2.702) 10.489 17.996 ( -6.552 -3.783 -2.464) 7.957 18.057 ( 8.769 5.063 0.888) 10.165 18.211 ( 3.592 2.074 -1.014) 4.270 21.253 ( -11.307 -6.528 7.049) 14.838 21.349 ( -8.286 -4.784 1.691) 9.716 27.332 ( 0.041 0.023 0.438) 0.440 27.510 ( 2.325 1.342 -1.583) 3.116 36.650 ( 2.444 1.411 -5.388) 6.083 36.792 ( 6.932 4.002 4.341) 9.106 37.715 ( 23.090 13.331 11.663) 29.101 37.962 ( 15.627 9.022 -34.395) 38.841 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 7.646 4.415 -14.184) 16.707 2.178 ( 8.983 5.186 -6.624) 12.307 2.968 ( 7.450 4.301 -0.813) 8.641 3.103 ( -2.339 -1.350 -5.784) 6.383 3.621 ( -9.771 -5.641 15.696) 19.330 4.011 ( -6.731 -3.886 11.227) 13.654 4.926 ( -9.728 -5.616 -2.152) 11.437 5.083 ( -3.486 -2.013 9.373) 10.201 6.614 ( 15.159 8.752 6.116) 18.542 6.616 ( 3.971 2.292 -12.355) 13.178 6.962 ( -0.778 -0.449 -4.217) 4.311 7.023 ( 7.543 4.355 6.674) 10.973 9.768 ( 1.285 0.742 -3.268) 3.590 9.858 ( 0.308 0.178 -3.715) 3.732 10.279 ( -12.935 -7.468 -11.031) 18.568 10.465 ( 6.315 3.646 7.079) 10.163 11.567 ( -6.087 -3.514 8.579) 11.090 12.209 ( -11.248 -6.494 3.200) 13.376 17.159 ( -5.775 -3.334 -3.116) 7.361 17.815 ( -8.046 -4.645 -1.920) 9.487 18.235 ( -0.265 -0.153 -3.786) 3.799 18.311 ( 11.832 6.831 4.520) 14.390 21.079 ( -6.983 -4.031 4.053) 9.024 21.180 ( -6.925 -3.998 0.439) 8.009 27.353 ( 1.725 0.996 0.311) 2.016 27.556 ( 2.053 1.185 -0.799) 2.501 36.696 ( 3.481 2.010 -3.781) 5.518 36.935 ( 3.946 2.278 3.678) 5.855 37.983 ( 1.993 1.151 -30.325) 30.412 38.324 ( 24.129 13.931 15.730) 31.995 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 10.063 5.810 -30.692) 32.818 2.299 ( 5.743 3.316 -12.223) 13.906 2.949 ( -8.131 -4.694 -10.303) 13.939 2.967 ( -5.015 -2.895 0.211) 5.794 3.522 ( -4.053 -2.340 18.455) 19.040 4.076 ( 3.021 1.744 11.156) 11.689 4.744 ( -4.857 -2.804 3.284) 6.499 4.979 ( -8.947 -5.166 7.636) 12.847 6.571 ( -2.240 -1.293 -11.619) 11.903 6.908 ( -2.802 -1.618 -1.951) 3.778 6.929 ( 9.927 5.731 5.120) 12.554 7.234 ( 7.716 4.455 8.261) 12.150 9.733 ( -1.531 -0.884 -10.056) 10.211 9.827 ( 1.039 0.600 -8.293) 8.379 9.990 ( -7.062 -4.077 -8.394) 11.703 10.649 ( 4.459 2.574 9.371) 10.692 11.522 ( -1.674 -0.967 5.455) 5.787 12.011 ( -8.787 -5.073 6.370) 11.980 17.071 ( -0.356 -0.205 -3.686) 3.709 17.645 ( -6.077 -3.509 0.054) 7.018 18.172 ( -2.876 -1.661 -5.537) 6.457 18.597 ( 10.213 5.897 6.793) 13.610 20.975 ( -3.509 -2.026 1.539) 4.334 21.050 ( -4.796 -2.769 0.190) 5.542 27.409 ( 2.999 1.731 0.071) 3.464 27.585 ( 0.554 0.320 0.258) 0.690 36.756 ( 3.034 1.752 -2.256) 4.167 37.010 ( 1.317 0.760 3.153) 3.500 37.787 ( -5.889 -3.400 -25.355) 26.251 38.925 ( 21.660 12.505 15.649) 29.503 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 8.938 5.161 -39.770) 41.087 2.292 ( -1.470 -0.849 -9.697) 9.844 2.702 ( -7.384 -4.263 -6.571) 10.764 2.881 ( -1.426 -0.823 1.063) 1.959 3.667 ( 9.191 5.307 13.849) 17.449 4.088 ( -4.610 -2.662 2.438) 5.855 4.766 ( 1.008 0.582 9.386) 9.458 4.799 ( -10.154 -5.862 9.602) 15.154 6.423 ( -5.611 -3.240 -8.545) 10.724 6.809 ( -5.515 -3.184 -0.266) 6.374 7.118 ( 5.116 2.954 3.863) 7.058 7.412 ( 3.667 2.117 6.762) 7.978 9.603 ( -3.868 -2.233 -12.184) 12.977 9.836 ( 3.178 1.835 -9.268) 9.968 9.914 ( 3.314 1.913 -7.024) 7.998 10.735 ( -0.019 -0.011 7.381) 7.381 11.537 ( 1.140 0.658 3.302) 3.555 11.871 ( -7.356 -4.247 9.001) 12.376 17.105 ( 5.063 2.923 -4.849) 7.596 17.566 ( -1.279 -0.739 2.951) 3.300 18.070 ( -3.186 -1.839 -5.997) 7.035 18.798 ( 3.899 2.251 6.592) 7.983 20.945 ( 0.650 0.375 0.131) 0.761 20.963 ( -3.257 -1.881 0.620) 3.812 27.479 ( 3.137 1.811 -0.529) 3.660 27.579 ( -1.427 -0.824 1.169) 2.020 36.801 ( 1.538 0.888 -0.915) 1.997 37.034 ( -0.322 -0.186 2.869) 2.893 37.492 ( -9.553 -5.516 -20.192) 23.009 39.431 ( 16.886 9.749 11.121) 22.447 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.000 2.628 21.460) 21.620 1.903 ( 0.000 12.744 23.734) 26.939 2.646 ( -0.000 -0.664 -1.628) 1.758 2.896 ( -0.000 3.741 -2.787) 4.665 2.917 ( 0.000 13.444 36.728) 39.112 4.951 ( 0.000 -8.455 0.929) 8.506 5.065 ( 0.000 -4.280 13.693) 14.347 5.223 ( -0.000 -0.370 -10.588) 10.595 5.879 ( 0.000 3.600 -0.081) 3.601 6.064 ( 0.000 6.054 6.236) 8.691 6.073 ( -0.000 13.347 -9.879) 16.606 7.010 ( -0.000 -0.295 -9.492) 9.497 9.341 ( 0.000 5.109 21.305) 21.909 9.343 ( 0.000 7.061 17.428) 18.804 10.819 ( -0.000 -3.257 -17.035) 17.343 10.864 ( -0.000 -4.939 -16.709) 17.423 12.488 ( 0.000 -6.534 7.967) 10.304 13.126 ( -0.000 -14.580 -9.049) 17.160 17.750 ( 0.000 -0.751 1.243) 1.452 17.852 ( 0.000 1.302 3.818) 4.034 17.974 ( -0.000 -4.506 -4.297) 6.226 18.151 ( -0.000 1.855 -1.628) 2.468 21.652 ( 0.000 -4.902 6.150) 7.865 21.994 ( 0.000 -23.431 1.677) 23.491 27.368 ( 0.000 0.169 1.361) 1.371 27.464 ( -0.000 -1.262 -1.316) 1.823 36.193 ( 0.000 1.516 4.522) 4.770 36.713 ( -0.000 2.023 -5.156) 5.539 36.821 ( -0.000 7.070 -5.285) 8.827 36.895 ( -0.000 53.164 -10.784) 54.246 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 3.744 7.320 15.789) 17.801 2.009 ( -11.650 11.112 21.198) 26.618 2.559 ( -4.591 1.507 -5.911) 7.634 2.984 ( 8.375 -1.771 -6.610) 10.815 3.368 ( 13.084 11.878 29.955) 34.779 4.771 ( -10.475 -6.003 -5.051) 13.087 5.069 ( -1.381 -6.093 16.784) 17.909 5.208 ( 2.561 -4.957 -2.254) 6.018 5.909 ( 2.090 9.369 -4.952) 10.801 6.191 ( 5.901 11.036 -3.943) 13.121 6.353 ( 14.069 9.938 2.966) 17.479 6.969 ( 0.557 1.018 -8.609) 8.687 9.520 ( 3.531 6.981 19.460) 20.973 9.546 ( 4.266 4.522 15.093) 16.323 10.604 ( -7.049 -5.133 -16.156) 18.359 10.769 ( 1.479 -4.645 -16.350) 17.061 12.333 ( -14.363 -8.335 9.987) 19.378 12.861 ( -6.166 -18.313 -7.292) 20.653 17.686 ( -7.989 2.268 0.272) 8.309 17.807 ( 1.875 -10.034 -1.975) 10.397 18.049 ( 6.790 4.634 0.196) 8.223 18.143 ( -1.803 0.405 -1.073) 2.137 21.583 ( -4.371 -7.060 4.611) 9.498 21.685 ( -10.785 -18.796 5.542) 22.368 27.367 ( -1.210 0.670 1.108) 1.772 27.452 ( 0.837 -0.415 -1.689) 1.930 36.382 ( 14.554 0.208 3.311) 14.927 36.658 ( -3.752 3.633 -5.474) 7.566 37.024 ( 15.600 7.766 0.643) 17.438 37.435 ( 9.711 48.761 -21.815) 54.294 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -4.530 3.144 10.548) 11.902 2.087 ( -3.755 19.491 10.201) 22.317 2.547 ( 7.482 -1.483 -3.525) 8.403 3.052 ( 7.266 -2.328 -8.678) 11.555 3.734 ( 4.146 2.510 21.969) 22.497 4.482 ( -15.285 -3.194 -1.713) 15.709 5.056 ( 0.568 -9.510 7.638) 12.211 5.158 ( -1.772 -6.236 2.531) 6.959 6.124 ( 11.115 12.571 1.170) 16.821 6.389 ( 7.284 10.244 -6.489) 14.145 6.690 ( 13.104 7.654 2.334) 15.354 6.962 ( 0.803 2.659 -6.955) 7.489 9.691 ( 2.451 0.558 10.391) 10.691 9.779 ( 6.061 8.338 14.462) 17.760 10.366 ( -4.259 -7.355 -11.962) 14.674 10.635 ( -3.702 -2.935 -14.826) 15.560 12.005 ( -18.902 -8.733 11.207) 23.646 12.531 ( -7.509 -18.186 -3.939) 20.066 17.504 ( -13.099 0.532 -0.670) 13.127 17.837 ( 10.617 -6.800 -2.505) 12.854 18.074 ( -3.364 -1.791 1.209) 3.998 18.200 ( 3.624 6.023 -1.892) 7.280 21.386 ( -10.122 -11.707 6.004) 16.600 21.429 ( -6.925 -7.628 2.167) 10.528 27.358 ( -1.487 1.578 0.836) 2.324 27.472 ( 2.356 0.615 -1.826) 3.043 36.622 ( 4.119 1.995 -2.467) 5.200 36.647 ( 8.778 1.292 -0.336) 8.879 37.475 ( 23.957 9.934 8.441) 27.274 37.842 ( 4.774 33.174 -26.543) 42.753 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -5.252 2.328 -1.102) 5.850 2.231 ( -2.950 16.257 -4.782) 17.200 2.724 ( 14.056 -5.639 2.344) 15.325 3.126 ( 5.331 5.795 -8.962) 11.930 3.782 ( -7.192 -5.329 18.917) 20.927 4.219 ( -13.420 -1.012 6.713) 15.039 4.931 ( -3.339 -12.037 -4.042) 13.130 5.103 ( 0.015 -6.921 4.522) 8.268 6.459 ( 10.167 7.720 2.269) 12.966 6.562 ( 7.810 9.873 -3.998) 13.208 6.949 ( 5.367 4.535 -0.349) 7.036 6.975 ( 3.869 5.233 -1.985) 6.804 9.740 ( 0.097 -1.594 2.996) 3.395 9.924 ( -4.208 5.951 -1.599) 7.462 10.250 ( 2.041 -9.310 -1.228) 9.610 10.479 ( -2.695 2.243 -6.778) 7.632 11.709 ( -12.334 -6.842 9.227) 16.855 12.240 ( -5.337 -16.610 -0.037) 17.447 17.294 ( -11.885 1.521 -0.719) 12.003 17.839 ( -1.801 -7.633 -4.561) 9.072 18.125 ( 8.477 0.077 5.020) 9.852 18.280 ( 2.371 5.376 -3.254) 6.717 21.174 ( -7.583 -6.962 4.246) 11.135 21.248 ( -6.679 -6.410 0.393) 9.266 27.365 ( -0.469 2.717 0.768) 2.862 27.518 ( 2.978 0.983 -1.334) 3.408 36.660 ( 1.809 4.377 -3.756) 6.045 36.835 ( 9.628 -1.516 1.581) 9.874 37.953 ( -2.157 19.081 -22.648) 29.693 38.082 ( 25.209 10.611 10.982) 29.474 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -1.083 -0.196 -17.208) 17.243 2.272 ( 0.461 5.423 -10.016) 11.399 2.847 ( 3.644 0.964 -2.445) 4.493 3.166 ( -6.819 6.989 -7.628) 12.391 3.673 ( -7.904 -5.747 18.125) 20.592 4.143 ( -1.969 1.293 13.837) 14.036 4.740 ( -2.106 -9.495 -3.827) 10.452 5.024 ( -1.589 -10.533 2.095) 10.857 6.531 ( -0.812 1.545 -7.306) 7.512 6.815 ( 7.878 1.646 2.639) 8.469 6.985 ( 0.240 8.874 -0.915) 8.925 7.192 ( 8.335 6.281 5.502) 11.798 9.698 ( -2.229 -1.830 -4.833) 5.628 9.843 ( -3.540 2.293 -7.933) 8.985 10.077 ( -10.455 -0.535 -7.041) 12.616 10.600 ( 8.445 0.522 7.502) 11.308 11.553 ( -3.899 -6.054 5.948) 9.339 12.030 ( -2.514 -15.052 3.300) 15.613 17.145 ( -7.908 3.678 -1.099) 8.791 17.685 ( -4.626 -6.406 -2.070) 8.168 18.181 ( -1.824 -0.182 -3.545) 3.991 18.476 ( 12.983 3.963 4.650) 14.348 21.032 ( -5.126 -3.831 2.136) 6.747 21.097 ( -4.846 -4.371 -0.158) 6.528 27.403 ( 0.895 3.372 0.569) 3.535 27.568 ( 2.166 0.655 -0.383) 2.295 36.725 ( 2.498 4.101 -2.321) 5.333 36.952 ( 5.838 -2.294 0.948) 6.343 37.854 ( -11.534 12.239 -21.755) 27.498 38.690 ( 26.427 6.740 14.933) 31.093 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 4.720 -4.883 -29.514) 30.285 2.275 ( 2.908 0.506 -8.790) 9.272 2.821 ( -10.420 7.353 -12.218) 17.661 3.019 ( -9.333 5.754 2.082) 11.160 3.663 ( 2.091 -1.014 14.850) 15.031 4.163 ( -4.703 -2.462 6.376) 8.296 4.707 ( 4.837 -5.711 3.334) 8.194 4.900 ( -1.669 -8.014 3.925) 9.078 6.443 ( -4.879 -0.591 -6.905) 8.475 6.836 ( -1.526 -4.166 0.874) 4.522 7.129 ( 2.661 8.409 3.161) 9.370 7.401 ( 5.636 4.619 5.630) 9.208 9.603 ( -3.467 0.677 -9.805) 10.422 9.805 ( -0.166 4.650 -8.524) 9.711 9.912 ( -5.475 3.283 -5.685) 8.548 10.736 ( 3.581 -2.029 6.809) 7.957 11.500 ( 1.487 -6.183 3.713) 7.364 11.889 ( -0.682 -13.622 5.958) 14.883 17.094 ( -2.147 4.983 -2.181) 5.848 17.574 ( -1.383 -4.251 0.964) 4.573 18.100 ( -4.285 0.601 -5.435) 6.947 18.733 ( 9.817 1.063 5.744) 11.423 20.953 ( -1.815 -1.144 0.561) 2.218 20.997 ( -3.134 -2.614 0.164) 4.084 27.458 ( 1.632 2.889 -0.086) 3.319 27.593 ( 0.241 0.160 0.617) 0.682 36.788 ( 1.597 3.125 -1.018) 3.654 37.002 ( 2.969 -2.910 0.029) 4.158 37.622 ( -15.333 8.293 -16.433) 23.956 39.221 ( 22.289 2.992 11.395) 25.211 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 4.106 11.724) 12.422 2.322 ( 0.000 7.018 19.173) 20.417 2.661 ( -0.000 9.315 -8.806) 12.819 2.771 ( -0.000 -9.659 -11.898) 15.325 3.531 ( 0.000 13.460 29.516) 32.440 4.778 ( -0.000 -3.574 -10.412) 11.008 5.076 ( 0.000 -10.331 13.576) 17.060 5.140 ( 0.000 -5.371 4.964) 7.314 5.946 ( -0.000 9.001 -6.443) 11.069 6.310 ( 0.000 6.535 14.727) 16.112 6.319 ( -0.000 21.270 -10.871) 23.887 6.938 ( -0.000 3.044 -7.814) 8.386 9.625 ( 0.000 4.124 13.428) 14.047 9.657 ( 0.000 3.878 20.925) 21.281 10.531 ( -0.000 -11.236 -16.373) 19.858 10.623 ( -0.000 1.517 -15.703) 15.777 12.433 ( 0.000 -7.442 7.788) 10.772 12.661 ( -0.000 -23.221 -7.328) 24.350 17.621 ( -0.000 -10.931 -2.938) 11.319 17.877 ( 0.000 -2.441 3.292) 4.098 17.989 ( -0.000 9.577 -3.330) 10.139 18.159 ( 0.000 -0.286 0.571) 0.638 21.562 ( 0.000 -9.505 3.826) 10.246 21.603 ( 0.000 -19.297 4.651) 19.849 27.396 ( 0.000 1.618 1.162) 1.992 27.428 ( -0.000 -0.664 -2.051) 2.155 36.302 ( 0.000 5.315 3.149) 6.177 36.785 ( 0.000 7.653 1.046) 7.724 36.890 ( -0.000 5.944 -3.666) 6.984 37.756 ( -0.000 48.381 -20.068) 52.378 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 5.535 2.776 8.371) 10.412 2.380 ( -3.514 -1.046 12.681) 13.200 2.511 ( -8.665 1.723 -7.574) 11.637 2.824 ( 8.929 2.810 -10.680) 14.202 3.834 ( 3.403 8.892 22.830) 24.735 4.622 ( -6.835 -3.560 -10.444) 12.980 4.995 ( -2.603 -12.791 8.636) 15.651 5.121 ( -0.466 -6.765 5.423) 8.682 6.085 ( 7.961 11.314 -0.496) 13.843 6.427 ( 0.527 12.885 1.138) 12.946 6.589 ( 9.897 12.766 -0.064) 16.154 6.954 ( 0.581 5.914 -6.069) 8.494 9.719 ( 1.012 -1.239 11.061) 11.176 9.829 ( 5.260 3.511 17.931) 19.013 10.294 ( -4.325 -10.830 -14.358) 18.497 10.578 ( -0.699 2.876 -13.765) 14.080 12.261 ( -13.753 -9.343 7.385) 18.193 12.385 ( -2.647 -21.445 -5.312) 22.252 17.559 ( 7.184 -11.888 -2.489) 14.111 17.747 ( -10.358 1.593 0.574) 10.496 18.105 ( -0.614 1.291 1.451) 2.037 18.181 ( 3.588 5.509 -2.342) 6.979 21.412 ( -4.906 -14.289 4.528) 15.771 21.444 ( -3.789 -10.283 1.849) 11.114 27.408 ( -1.132 2.085 0.815) 2.509 27.430 ( 1.582 0.553 -2.033) 2.634 36.455 ( 8.960 4.258 1.849) 10.091 36.727 ( -7.030 6.659 -1.819) 9.853 37.210 ( 21.285 7.787 5.485) 23.319 38.076 ( -1.841 39.410 -21.193) 44.785 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -8.017 1.855 5.579) 9.942 2.294 ( 1.885 -13.919 -10.845) 17.745 2.579 ( 6.979 12.101 13.925) 19.725 2.977 ( 9.411 8.853 -11.289) 17.158 3.979 ( -5.826 2.358 18.931) 19.947 4.406 ( -8.163 -4.615 -5.617) 10.931 4.845 ( -4.221 -13.042 4.490) 14.425 5.021 ( -1.610 -10.194 -2.419) 10.600 6.394 ( 12.523 9.884 5.303) 16.812 6.555 ( 1.098 9.328 -1.012) 9.447 6.869 ( 10.063 9.996 -0.153) 14.185 6.997 ( -0.197 8.117 -5.436) 9.771 9.749 ( 0.050 -3.613 7.449) 8.279 10.038 ( -5.547 -1.248 -6.805) 8.868 10.085 ( 9.854 -5.042 10.033) 14.939 10.498 ( -4.236 3.182 -12.266) 13.362 11.941 ( -17.085 -8.185 7.607) 20.415 12.106 ( -3.001 -20.029 -3.396) 20.535 17.509 ( -7.082 -3.503 3.655) 8.705 17.668 ( 4.794 -4.357 -6.642) 9.278 18.096 ( -0.046 0.353 6.081) 6.091 18.274 ( 1.590 5.951 -5.522) 8.273 21.228 ( -5.560 -9.236 3.572) 11.357 21.276 ( -5.089 -8.854 0.083) 10.213 27.418 ( -1.162 3.265 1.112) 3.640 27.466 ( 2.945 1.048 -2.035) 3.730 36.655 ( 8.979 2.208 0.675) 9.271 36.704 ( -1.411 5.986 -2.241) 6.545 37.742 ( 27.305 6.069 11.905) 30.399 38.217 ( -8.459 29.158 -20.419) 36.588 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -13.630 1.266 -4.159) 14.306 2.152 ( 4.237 -14.664 -6.467) 16.578 2.897 ( 4.297 16.243 7.259) 18.303 3.178 ( 7.886 8.780 -10.402) 15.731 3.904 ( -13.011 0.092 15.766) 20.442 4.253 ( -2.434 -4.313 4.982) 7.025 4.645 ( -5.118 -12.047 -1.458) 13.170 4.877 ( 1.408 -14.609 -5.544) 15.689 6.584 ( -3.008 6.278 -1.332) 7.088 6.694 ( 9.384 0.600 2.522) 9.735 7.068 ( 0.745 11.855 -2.442) 12.127 7.127 ( 9.551 8.055 1.788) 12.622 9.726 ( -2.846 -1.584 1.509) 3.590 9.853 ( -2.841 -4.298 -7.968) 9.488 10.245 ( -6.220 6.202 1.496) 8.910 10.456 ( 8.312 -1.979 -0.417) 8.554 11.644 ( -12.175 -7.730 5.477) 15.427 11.878 ( -0.167 -19.245 -0.434) 19.250 17.360 ( -11.132 2.912 3.058) 11.906 17.630 ( 1.165 -8.382 -5.180) 9.922 18.198 ( 1.923 3.386 3.518) 5.248 18.325 ( 6.755 2.467 -2.704) 7.683 21.084 ( -4.835 -5.476 2.141) 7.612 21.121 ( -4.113 -6.148 -0.581) 7.420 27.444 ( -0.681 4.152 0.974) 4.319 27.522 ( 3.406 0.815 -1.169) 3.692 36.735 ( 0.594 5.705 -1.305) 5.883 36.819 ( 7.477 0.219 -0.608) 7.505 38.154 ( -14.388 20.852 -16.173) 30.056 38.336 ( 28.065 2.332 12.665) 30.878 ======================= Grid point 510 (163/189) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -12.994 -0.343 -14.821) 19.713 2.103 ( 7.411 -11.454 -1.437) 13.719 3.047 ( -8.897 16.477 -13.777) 23.247 3.232 ( -2.724 7.591 3.994) 9.000 3.770 ( -9.628 -0.389 12.599) 15.862 4.266 ( -4.582 -2.740 10.669) 11.930 4.525 ( 8.758 -7.160 -3.914) 11.970 4.738 ( 4.409 -16.372 -3.855) 17.387 6.529 ( -6.546 3.110 -3.067) 7.870 6.786 ( 3.276 -4.248 1.429) 5.551 7.202 ( 1.338 10.429 1.328) 10.597 7.362 ( 7.778 5.915 2.977) 10.215 9.651 ( -4.511 3.022 -4.476) 7.037 9.799 ( 0.919 1.963 -5.540) 5.949 10.105 ( -12.826 7.777 -5.509) 15.979 10.628 ( 9.764 -4.267 5.684) 12.077 11.448 ( -3.840 -9.334 3.340) 10.632 11.722 ( 2.800 -18.555 2.251) 18.899 17.239 ( -8.513 4.450 1.268) 9.689 17.536 ( -0.291 -6.858 -1.236) 6.975 18.176 ( -5.329 4.510 -4.742) 8.439 18.554 ( 14.031 -0.557 4.445) 14.729 20.983 ( -3.158 -2.544 0.837) 4.140 21.016 ( -2.579 -3.566 -0.336) 4.413 27.480 ( -0.198 3.730 0.169) 3.739 27.576 ( 2.352 0.487 0.107) 2.404 36.799 ( 1.113 4.717 -0.635) 4.888 36.912 ( 4.430 -0.698 -1.355) 4.685 37.967 ( -19.007 16.323 -12.520) 28.008 38.864 ( 26.391 -2.836 11.085) 28.765 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.000 -0.219 3.821) 3.827 2.238 ( -0.000 -23.864 -11.185) 26.355 2.639 ( 0.000 2.940 11.774) 12.136 2.822 ( -0.000 12.741 -5.182) 13.754 4.024 ( 0.000 12.790 16.727) 21.056 4.541 ( -0.000 -8.921 -14.588) 17.099 4.926 ( 0.000 -14.843 6.581) 16.236 5.138 ( 0.000 -2.452 8.660) 9.000 6.104 ( 0.000 9.089 1.388) 9.194 6.590 ( 0.000 7.483 12.099) 14.226 6.612 ( -0.000 19.253 -11.341) 22.345 7.004 ( -0.000 9.865 -3.844) 10.587 9.735 ( 0.000 -3.478 7.327) 8.111 9.860 ( 0.000 -4.858 16.720) 17.411 10.144 ( -0.000 -11.513 -11.549) 16.308 10.594 ( -0.000 8.876 -10.288) 13.588 12.142 ( -0.000 -21.460 -5.714) 22.208 12.355 ( 0.000 -7.453 5.207) 9.092 17.355 ( -0.000 -12.093 -2.983) 12.455 17.829 ( 0.000 -5.262 2.538) 5.842 18.154 ( 0.000 -1.983 2.598) 3.268 18.201 ( -0.000 15.356 -4.452) 15.988 21.336 ( 0.000 -12.843 3.540) 13.322 21.375 ( 0.000 -11.455 0.659) 11.473 27.399 ( -0.000 0.142 -2.456) 2.460 27.456 ( 0.000 3.355 0.982) 3.495 36.451 ( 0.000 6.923 2.119) 7.240 36.970 ( -0.000 5.302 -2.686) 5.944 37.007 ( 0.000 8.312 9.865) 12.900 38.371 ( -0.000 36.489 -19.508) 41.376 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 4.063 -24.536 -8.384) 26.245 2.059 ( 9.206 1.098 4.388) 10.257 2.653 ( -3.302 1.628 9.871) 10.535 2.969 ( 4.265 12.129 -2.623) 13.121 4.184 ( -2.779 8.532 8.367) 12.269 4.350 ( -2.066 -10.228 -11.963) 15.874 4.792 ( -1.482 -14.997 4.183) 15.639 5.065 ( -9.802 -3.560 4.144) 11.222 6.295 ( 10.092 6.480 5.256) 13.095 6.671 ( -2.128 10.338 1.531) 10.665 6.822 ( 7.350 11.759 -2.100) 14.026 7.084 ( -1.038 11.799 -4.022) 12.508 9.728 ( 0.746 -6.183 6.713) 9.157 9.889 ( 4.255 -12.242 1.355) 13.031 10.033 ( 2.703 -3.911 3.159) 5.708 10.599 ( -4.961 9.504 -8.365) 13.598 11.913 ( -1.586 -17.375 -4.210) 17.948 12.188 ( -13.047 -7.308 3.505) 15.360 17.313 ( 9.062 -10.584 -1.657) 14.031 17.733 ( -6.064 -3.763 1.322) 7.258 18.134 ( -0.971 -1.882 4.265) 4.762 18.327 ( -0.735 13.655 -5.537) 14.753 21.219 ( -2.470 -9.525 2.663) 10.194 21.244 ( -2.411 -10.332 -0.562) 10.625 27.409 ( 2.086 0.696 -1.973) 2.954 27.488 ( -0.904 3.888 0.681) 4.049 36.573 ( 5.032 5.818 1.462) 7.830 36.851 ( -8.580 6.020 0.569) 10.496 37.417 ( 22.893 4.254 10.950) 25.732 38.550 ( -6.627 30.486 -18.057) 36.047 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 8.219 -20.961 -1.189) 22.546 2.090 ( -10.553 0.262 1.375) 10.645 2.860 ( 17.449 4.391 11.705) 21.465 3.142 ( 3.829 12.737 -5.524) 14.402 4.117 ( 1.723 -11.592 -10.769) 15.916 4.233 ( -10.974 6.940 6.845) 14.678 4.641 ( -0.589 -15.017 1.496) 15.103 4.811 ( -14.766 -6.114 0.343) 15.986 6.539 ( 10.216 0.134 4.044) 10.988 6.716 ( -3.893 6.840 0.304) 7.876 7.055 ( 9.068 9.368 -0.876) 13.067 7.169 ( -0.105 12.765 -3.468) 13.228 9.719 ( 2.316 -6.018 4.202) 7.696 9.798 ( -1.189 -5.751 -2.436) 6.358 10.176 ( 12.814 -5.172 7.760) 15.848 10.526 ( -9.659 9.227 -7.049) 15.104 11.706 ( -2.126 -15.345 -2.574) 15.704 11.859 ( -17.602 -7.247 2.017) 19.142 17.390 ( 9.745 -8.854 0.085) 13.167 17.584 ( -8.270 -2.003 -0.316) 8.515 18.165 ( 4.505 -1.170 5.873) 7.494 18.369 ( -4.903 11.296 -6.342) 13.852 21.104 ( -3.092 -6.467 1.407) 7.305 21.108 ( -2.694 -7.239 -0.743) 7.760 27.459 ( 3.531 1.054 -0.787) 3.768 27.511 ( -1.092 4.021 0.163) 4.170 36.721 ( 5.873 3.731 0.562) 6.981 36.812 ( -3.271 5.665 0.221) 6.545 37.925 ( 27.144 -0.911 13.276) 30.230 38.555 ( -14.094 24.529 -15.464) 32.240 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -17.342 0.046 -4.829) 18.001 1.818 ( 8.711 -14.995 4.829) 18.001 3.237 ( -2.859 10.874 -14.871) 18.643 3.237 ( 10.847 2.961 14.871) 18.643 4.111 ( 17.142 -8.563 -3.879) 19.551 4.111 ( -15.987 10.564 3.879) 19.551 4.497 ( -3.151 -13.245 -8.126) 15.855 4.497 ( -9.895 -9.352 8.126) 15.855 6.667 ( -6.767 3.335 -1.624) 7.717 6.667 ( 6.272 -4.193 1.624) 7.717 7.289 ( 2.499 10.074 -0.555) 10.394 7.289 ( 7.475 7.202 0.555) 10.394 9.744 ( 2.200 -0.122 -1.936) 2.933 9.744 ( -1.206 1.844 1.936) 2.933 10.390 ( -9.844 7.324 -6.602) 13.933 10.390 ( 11.265 -4.863 6.602) 13.933 11.521 ( -2.357 -14.693 -1.942) 15.007 11.521 ( -11.546 -9.388 1.942) 15.007 17.425 ( -0.154 -5.328 -5.736) 7.830 17.425 ( -4.537 -2.798 5.736) 7.830 18.333 ( -4.107 8.018 -6.882) 11.336 18.333 ( 8.997 0.452 6.882) 11.336 21.010 ( -1.676 -4.258 -0.763) 4.639 21.010 ( -2.849 -3.580 0.763) 4.639 27.530 ( 1.462 2.100 -1.383) 2.909 27.530 ( 1.088 2.317 1.383) 2.909 36.838 ( 3.298 2.797 -0.862) 4.410 36.838 ( 0.773 4.255 0.862) 4.410 38.416 ( -18.774 19.950 -11.413) 29.677 38.416 ( 26.664 -6.284 11.413) 29.677 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.000 -23.319 -0.988) 23.340 1.980 ( 0.000 2.054 4.582) 5.021 2.776 ( 0.000 -2.182 12.003) 12.200 2.978 ( -0.000 5.325 -1.114) 5.441 4.154 ( -0.000 -13.743 -15.007) 20.349 4.332 ( -0.000 9.647 -4.720) 10.739 4.708 ( 0.000 -11.732 8.959) 14.762 5.161 ( 0.000 -2.968 3.494) 4.585 6.289 ( 0.000 4.444 7.486) 8.706 6.812 ( 0.000 4.834 6.241) 7.894 6.836 ( -0.000 14.507 -8.232) 16.680 7.192 ( -0.000 12.021 -4.297) 12.766 9.700 ( 0.000 -4.545 4.842) 6.641 9.728 ( 0.000 -12.962 2.837) 13.269 9.969 ( 0.000 -7.408 5.471) 9.209 10.701 ( -0.000 9.347 -6.767) 11.539 11.767 ( -0.000 -11.250 -4.430) 12.091 12.246 ( 0.000 -7.140 1.070) 7.220 17.127 ( -0.000 -8.525 -1.022) 8.586 17.737 ( 0.000 -6.181 1.950) 6.481 18.132 ( 0.000 -3.510 3.631) 5.050 18.467 ( -0.000 16.340 -5.305) 17.180 21.158 ( -0.000 -9.841 -1.167) 9.910 21.163 ( 0.000 -8.088 1.831) 8.292 27.389 ( -0.000 1.363 -1.981) 2.404 27.535 ( 0.000 3.488 0.638) 3.545 36.604 ( 0.000 6.498 1.738) 6.727 37.032 ( -0.000 3.495 -2.336) 4.203 37.263 ( 0.000 3.100 16.709) 16.994 38.809 ( -0.000 28.122 -16.572) 32.642 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 4.648 -16.193 10.427) 19.813 2.145 ( 7.183 2.507 6.253) 9.848 2.755 ( 1.086 -0.611 9.008) 9.094 3.098 ( 7.952 0.437 1.502) 8.104 3.932 ( -1.562 -11.246 -15.200) 18.973 4.348 ( 1.053 0.410 -12.289) 12.341 4.633 ( -6.685 -2.807 9.867) 12.245 5.023 ( -12.063 -4.966 1.780) 13.166 6.420 ( 6.343 0.032 6.782) 9.286 6.833 ( -3.013 4.244 0.706) 5.253 7.001 ( 6.784 9.643 -3.207) 12.219 7.273 ( -0.476 11.297 -4.940) 12.339 9.630 ( 0.899 -7.880 4.350) 9.046 9.742 ( 3.569 -3.542 5.170) 7.212 9.973 ( 6.652 -7.640 5.910) 11.728 10.707 ( -5.012 7.627 -6.203) 11.035 11.628 ( -3.530 -7.909 -3.865) 9.484 12.063 ( -12.625 -7.001 -1.016) 14.472 17.138 ( 8.800 -5.991 -0.104) 10.646 17.655 ( -3.771 -5.130 1.428) 6.524 18.122 ( 1.161 -3.503 4.220) 5.606 18.555 ( -4.244 14.370 -5.524) 15.969 21.057 ( -0.909 -7.302 -1.224) 7.459 21.089 ( -1.352 -6.025 1.032) 6.260 27.417 ( 2.224 1.900 -1.190) 3.158 27.563 ( -0.617 2.897 0.277) 2.975 36.696 ( 2.865 5.108 1.291) 5.997 36.953 ( -7.002 3.523 0.844) 7.884 37.573 ( 19.932 -2.284 14.930) 25.008 38.915 ( -8.465 24.534 -14.525) 29.741 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.000 -2.339 27.808) 27.906 2.126 ( 0.000 4.840 9.926) 11.044 2.791 ( 0.000 -7.738 10.032) 12.670 2.981 ( -0.000 -3.619 -1.291) 3.843 3.782 ( -0.000 -6.369 -15.196) 16.477 4.250 ( -0.000 -3.813 -11.162) 11.795 4.741 ( 0.000 3.239 3.447) 4.730 5.061 ( -0.000 -7.817 -3.167) 8.435 6.408 ( 0.000 -1.425 9.472) 9.579 6.886 ( 0.000 -1.173 1.193) 1.673 7.009 ( -0.000 10.233 -5.441) 11.589 7.347 ( -0.000 9.127 -6.338) 11.112 9.590 ( 0.000 -6.793 8.654) 11.001 9.709 ( 0.000 -0.002 6.845) 6.845 9.880 ( 0.000 -6.077 5.713) 8.341 10.772 ( -0.000 4.366 -6.704) 8.000 11.594 ( -0.000 -3.278 -3.845) 5.053 12.092 ( -0.000 -7.426 -4.007) 8.438 17.028 ( 0.000 -1.703 1.935) 2.578 17.640 ( 0.000 -4.716 0.366) 4.730 18.096 ( 0.000 -4.281 4.562) 6.256 18.696 ( -0.000 12.336 -6.058) 13.744 20.995 ( -0.000 -5.254 -1.029) 5.353 21.048 ( 0.000 -5.131 0.401) 5.147 27.416 ( -0.000 2.825 -0.748) 2.922 27.589 ( -0.000 1.394 -0.138) 1.401 36.728 ( 0.000 4.466 1.344) 4.664 37.054 ( -0.000 1.317 -2.529) 2.851 37.440 ( 0.000 -4.485 19.916) 20.415 39.147 ( -0.000 22.804 -13.505) 26.503 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.000 0.000 24.732) 24.732 1.797 ( 0.000 0.000 24.732) 24.732 2.748 ( -0.000 0.000 -4.077) 4.077 2.748 ( -0.000 0.000 -4.077) 4.077 2.972 ( 0.000 0.000 43.433) 43.433 5.068 ( -0.000 -0.000 -23.840) 23.840 5.142 ( 0.000 0.000 10.683) 10.683 5.142 ( 0.000 0.000 10.683) 10.683 5.891 ( -0.000 -0.000 -10.640) 10.640 5.891 ( -0.000 -0.000 -10.640) 10.640 5.985 ( 0.000 0.000 18.522) 18.522 6.960 ( -0.000 -0.000 -11.216) 11.216 9.389 ( 0.000 0.000 22.439) 22.439 9.389 ( 0.000 0.000 22.439) 22.439 10.789 ( -0.000 -0.000 -19.041) 19.041 10.789 ( -0.000 -0.000 -19.041) 19.041 12.602 ( 0.000 0.000 7.442) 7.442 13.215 ( -0.000 -0.000 -10.639) 10.639 17.812 ( 0.000 -0.000 3.897) 3.897 17.812 ( 0.000 -0.000 3.897) 3.897 18.064 ( -0.000 -0.000 -3.628) 3.628 18.064 ( -0.000 -0.000 -3.628) 3.628 21.739 ( 0.000 0.000 7.520) 7.520 22.231 ( -0.000 -0.000 -7.028) 7.028 27.376 ( 0.000 0.000 1.600) 1.600 27.475 ( -0.000 -0.000 -1.337) 1.337 36.257 ( 0.000 0.000 6.402) 6.402 36.257 ( 0.000 0.000 6.402) 6.402 36.697 ( -0.000 -0.000 -6.676) 6.676 36.697 ( -0.000 -0.000 -6.676) 6.676 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -1.988 -1.148 21.733) 21.854 2.011 ( -1.768 -1.021 23.215) 23.304 2.554 ( -5.645 -3.259 -6.702) 9.349 2.916 ( 8.496 4.905 -6.949) 12.023 3.343 ( 12.711 7.339 36.906) 39.717 4.836 ( -8.521 -4.920 -16.689) 19.373 5.207 ( 0.338 0.195 15.538) 15.543 5.245 ( 2.005 1.157 4.150) 4.752 5.778 ( -0.489 -0.282 -7.263) 7.285 5.952 ( 9.165 5.291 -11.600) 15.702 6.247 ( 12.230 7.061 11.351) 18.119 6.906 ( 0.626 0.362 -11.082) 11.106 9.527 ( 3.378 1.950 21.533) 21.883 9.572 ( 4.094 2.363 21.004) 21.530 10.591 ( -5.767 -3.330 -18.926) 20.063 10.727 ( 0.570 0.329 -19.252) 19.263 12.531 ( -10.338 -5.968 9.136) 15.031 13.050 ( -9.076 -5.240 -9.605) 14.215 17.708 ( -6.328 -3.653 2.618) 7.761 17.939 ( -3.975 -2.295 -3.662) 5.872 17.962 ( 6.477 3.740 3.648) 8.321 18.114 ( 1.251 0.722 -3.146) 3.462 21.716 ( -5.370 -3.100 6.563) 9.029 21.992 ( -15.757 -9.097 -1.820) 18.285 27.375 ( -0.886 -0.512 1.433) 1.760 27.456 ( -0.588 -0.339 -1.300) 1.466 36.442 ( 8.351 4.821 6.653) 11.715 36.576 ( 10.304 5.949 -7.306) 13.962 36.615 ( 15.504 8.951 -6.421) 19.019 36.861 ( 13.551 7.823 -2.960) 15.924 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 2.512 1.450 13.397) 13.708 1.997 ( -7.843 -4.528 18.763) 20.834 2.500 ( 4.945 2.855 -4.952) 7.559 3.022 ( 4.573 2.640 -9.231) 10.635 3.781 ( 9.181 5.301 26.893) 28.907 4.546 ( -10.718 -6.188 -10.201) 16.038 5.237 ( -4.001 -2.310 0.129) 4.622 5.245 ( -3.881 -2.241 13.727) 14.440 5.908 ( 13.864 8.005 -0.776) 16.028 6.140 ( 12.139 7.008 -12.404) 18.717 6.585 ( 12.966 7.486 6.849) 16.464 6.885 ( 2.001 1.155 -9.302) 9.584 9.739 ( 1.803 1.041 15.455) 15.595 9.741 ( 5.714 3.299 17.677) 18.868 10.382 ( -3.894 -2.248 -14.489) 15.170 10.609 ( -2.917 -1.684 -18.129) 18.439 12.252 ( -17.872 -10.318 10.846) 23.313 12.758 ( -12.355 -7.133 -6.417) 15.643 17.540 ( -9.327 -5.385 0.368) 10.776 17.913 ( 3.542 2.045 -0.729) 4.154 18.061 ( -1.581 -0.913 -3.346) 3.811 18.128 ( 3.729 2.153 1.468) 4.549 21.573 ( -9.157 -5.287 3.625) 11.177 21.626 ( -15.803 -9.124 3.155) 18.518 27.355 ( -1.197 -0.691 1.119) 1.778 27.453 ( 1.087 0.628 -1.399) 1.880 36.546 ( 1.088 0.628 -6.737) 6.853 36.667 ( 8.376 4.836 5.439) 11.096 37.175 ( 26.226 15.142 -20.085) 36.338 37.283 ( 22.946 13.248 5.289) 27.018 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -8.432 -4.868 8.373) 12.842 2.003 ( 3.195 1.845 0.762) 3.767 2.718 ( 13.199 7.620 0.836) 15.264 3.034 ( 1.053 0.608 -10.581) 10.651 3.969 ( -3.286 -1.897 21.044) 21.384 4.285 ( -9.089 -5.247 -0.112) 10.495 5.077 ( -8.508 -4.912 -4.901) 10.979 5.218 ( -2.630 -1.519 6.188) 6.893 6.304 ( 17.975 10.378 6.715) 21.815 6.333 ( 9.829 5.675 -11.854) 16.411 6.877 ( 10.406 6.008 4.623) 12.875 6.890 ( 1.982 1.144 -7.462) 7.805 9.798 ( -1.853 -1.070 8.107) 8.384 9.865 ( -1.216 -0.702 2.766) 3.102 10.361 ( 6.421 3.707 0.991) 7.481 10.398 ( -8.206 -4.738 -15.671) 18.313 11.909 ( -15.766 -9.102 9.839) 20.694 12.466 ( -11.139 -6.431 -2.314) 13.069 17.319 ( -9.636 -5.563 -0.669) 11.146 17.944 ( -6.022 -3.477 -4.096) 8.070 18.085 ( 10.716 6.187 2.664) 12.657 18.200 ( 1.493 0.862 -0.705) 1.862 21.335 ( -11.734 -6.775 3.808) 14.074 21.369 ( -9.444 -5.453 0.809) 10.935 27.344 ( -0.138 -0.079 1.112) 1.123 27.489 ( 2.549 1.472 -1.239) 3.194 36.569 ( 3.536 2.042 -5.085) 6.522 36.859 ( 6.326 3.652 4.270) 8.461 37.512 ( 13.901 8.026 -24.575) 29.352 37.899 ( 26.759 15.449 12.672) 33.396 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -6.374 -3.680 -7.812) 10.733 2.071 ( 4.402 2.541 -6.957) 8.616 2.959 ( -2.831 -1.634 -11.501) 11.956 2.965 ( 5.966 3.445 0.440) 6.903 3.896 ( -10.387 -5.997 18.393) 21.958 4.194 ( -1.102 -0.636 11.698) 11.767 4.848 ( -7.760 -4.480 -7.873) 11.928 5.172 ( -3.955 -2.283 2.380) 5.150 6.434 ( 4.056 2.342 -11.098) 12.046 6.716 ( 14.497 8.370 7.317) 18.269 6.895 ( 1.212 0.700 -4.754) 4.955 7.117 ( 9.160 5.289 5.581) 11.959 9.741 ( -4.812 -2.778 -0.507) 5.580 9.782 ( -3.296 -1.903 -5.621) 6.788 10.108 ( -10.366 -5.985 -11.046) 16.288 10.586 ( 8.831 5.098 8.126) 13.039 11.683 ( -8.054 -4.650 6.553) 11.376 12.244 ( -8.486 -4.900 1.288) 9.883 17.127 ( -6.548 -3.781 -1.080) 7.638 17.776 ( -6.716 -3.877 -2.891) 8.276 18.183 ( -1.913 -1.104 -3.208) 3.895 18.386 ( 13.396 7.734 5.219) 16.325 21.130 ( -8.156 -4.709 2.561) 9.759 21.180 ( -7.141 -4.123 -0.475) 8.259 27.365 ( 1.456 0.840 1.174) 2.050 27.545 ( 2.611 1.507 -0.650) 3.084 36.642 ( 4.543 2.623 -3.130) 6.109 36.989 ( 3.526 2.036 3.248) 5.208 37.570 ( 2.925 1.689 -23.538) 23.780 38.563 ( 25.008 14.438 15.728) 32.882 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.000 -3.157 19.976) 20.224 2.245 ( 0.000 10.624 20.935) 23.476 2.552 ( -0.000 -3.098 -9.260) 9.765 2.801 ( -0.000 1.292 -9.563) 9.650 3.493 ( 0.000 8.019 36.822) 37.685 4.764 ( -0.000 -3.123 -22.126) 22.346 5.242 ( 0.000 -1.800 9.430) 9.601 5.278 ( 0.000 -1.733 14.050) 14.156 5.770 ( -0.000 2.601 -10.088) 10.418 5.905 ( -0.000 13.552 -12.045) 18.131 6.263 ( 0.000 6.477 15.620) 16.909 6.848 ( -0.000 1.345 -11.692) 11.769 9.635 ( 0.000 2.594 20.419) 20.583 9.687 ( 0.000 4.210 23.639) 24.011 10.535 ( -0.000 -1.633 -20.046) 20.113 10.581 ( -0.000 -3.398 -20.113) 20.398 12.613 ( 0.000 -6.261 8.569) 10.613 12.980 ( -0.000 -12.939 -9.980) 16.340 17.774 ( 0.000 -4.343 1.745) 4.681 17.909 ( -0.000 -3.890 -4.070) 5.630 17.917 ( 0.000 0.935 4.542) 4.638 18.119 ( -0.000 3.718 -2.508) 4.485 21.751 ( 0.000 -6.633 6.657) 9.397 21.979 ( -0.000 -16.220 -3.130) 16.519 27.389 ( 0.000 -0.072 1.490) 1.492 27.443 ( -0.000 -1.493 -1.414) 2.056 36.272 ( 0.000 0.004 5.860) 5.860 36.637 ( -0.000 5.426 -4.606) 7.117 36.734 ( -0.000 9.848 -5.626) 11.342 36.802 ( -0.000 35.920 -2.929) 36.039 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 2.370 1.492 15.950) 16.194 2.303 ( -13.191 7.558 14.148) 20.768 2.449 ( -2.225 1.004 -5.441) 5.963 2.835 ( 9.412 -4.231 -12.456) 16.175 3.827 ( 8.043 6.231 29.276) 30.994 4.585 ( -5.814 -0.949 -18.279) 19.205 5.244 ( -2.497 -7.233 7.006) 10.375 5.296 ( -0.375 -7.362 9.825) 12.283 5.834 ( 6.662 12.349 -2.767) 14.302 6.048 ( 5.273 16.853 -11.721) 21.195 6.488 ( 9.499 5.684 11.278) 15.803 6.826 ( 1.326 3.353 -10.082) 10.707 9.785 ( 3.038 1.498 17.235) 17.565 9.846 ( 0.124 3.868 21.327) 21.675 10.344 ( -4.897 -2.923 -17.562) 18.465 10.496 ( 2.187 -2.313 -19.302) 19.563 12.477 ( -12.465 -8.822 9.021) 17.736 12.741 ( -4.480 -16.547 -8.214) 19.009 17.702 ( -8.095 0.246 1.675) 8.270 17.772 ( 1.388 -9.103 -2.493) 9.540 18.062 ( 7.026 2.291 1.501) 7.540 18.120 ( -2.437 2.605 -1.792) 3.992 21.652 ( -5.565 -9.113 4.215) 11.480 21.727 ( -8.598 -15.215 0.351) 17.480 27.386 ( -1.391 0.466 1.271) 1.941 27.428 ( 0.858 -0.889 -1.495) 1.939 36.437 ( 13.563 -1.226 3.832) 14.147 36.576 ( -5.492 6.260 -5.238) 9.839 37.040 ( 21.166 11.174 1.712) 23.995 37.195 ( 3.647 39.661 -10.565) 41.205 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -7.044 -0.204 11.532) 13.515 2.190 ( -12.755 10.752 1.893) 16.789 2.532 ( 11.655 1.878 3.576) 12.335 2.882 ( 8.928 -3.320 -13.064) 16.168 4.078 ( 0.936 -0.370 22.074) 22.097 4.393 ( -7.062 0.686 -10.536) 12.702 5.099 ( -6.396 -10.662 1.802) 12.563 5.215 ( -1.423 -9.244 0.857) 9.392 6.180 ( 14.701 14.069 6.575) 21.384 6.253 ( 5.818 15.822 -9.584) 19.392 6.763 ( 11.260 4.628 6.060) 13.599 6.844 ( 1.489 4.514 -8.528) 9.764 9.867 ( -1.767 -3.062 12.703) 13.186 9.964 ( -4.527 4.587 5.385) 8.398 10.229 ( 5.572 -4.180 -2.258) 7.322 10.391 ( -1.793 0.139 -16.856) 16.952 12.157 ( -18.161 -9.879 8.872) 22.498 12.461 ( -4.603 -16.818 -5.101) 18.168 17.505 ( -14.017 1.164 0.730) 14.084 17.801 ( 9.519 -9.167 -2.254) 13.407 18.093 ( -1.714 3.381 1.308) 4.010 18.175 ( 3.280 2.202 -1.361) 4.179 21.448 ( -9.418 -11.042 2.312) 14.696 21.454 ( -8.110 -9.045 1.000) 12.189 27.374 ( -1.570 1.508 1.269) 2.520 27.447 ( 2.612 0.274 -1.443) 2.997 36.556 ( -1.000 6.135 -4.462) 7.652 36.671 ( 13.770 -2.717 1.910) 14.164 37.511 ( 0.655 30.964 -15.590) 34.673 37.623 ( 28.114 13.026 9.624) 32.445 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -16.134 -3.401 4.511) 17.094 2.143 ( -5.039 10.475 -6.138) 13.145 2.747 ( 7.840 -2.633 -0.959) 8.326 2.992 ( 8.294 7.406 -6.688) 12.976 4.070 ( -7.938 -6.328 17.543) 20.269 4.291 ( -3.033 1.724 1.409) 3.762 4.856 ( -8.070 -10.810 -4.849) 14.335 5.118 ( 1.782 -11.010 -2.058) 11.341 6.396 ( 1.449 10.528 -7.407) 12.954 6.603 ( 14.168 10.029 6.671) 18.596 6.876 ( 1.424 5.788 -5.803) 8.319 7.020 ( 10.936 4.831 4.199) 12.672 9.799 ( -6.890 -4.112 2.430) 8.384 9.857 ( -6.246 -0.227 -3.624) 7.224 10.172 ( -8.018 -1.068 -9.733) 12.655 10.479 ( 12.055 1.614 6.167) 13.637 11.830 ( -13.488 -8.297 6.657) 17.178 12.227 ( -2.211 -15.703 -1.680) 15.947 17.294 ( -13.180 2.777 0.706) 13.488 17.773 ( -0.467 -8.195 -3.753) 9.026 18.179 ( 0.480 -0.239 -0.065) 0.540 18.256 ( 10.271 5.362 2.082) 11.772 21.223 ( -7.978 -7.405 2.207) 11.107 21.245 ( -7.028 -6.827 -0.850) 9.834 27.382 ( -0.573 2.559 1.443) 2.993 27.501 ( 3.535 0.949 -1.006) 3.795 36.608 ( 2.076 5.913 -2.949) 6.926 36.851 ( 10.316 -3.628 0.538) 10.949 37.632 ( -6.545 22.392 -17.510) 29.169 38.297 ( 29.433 9.731 15.281) 34.561 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 0.000 -3.323 9.071) 9.660 2.522 ( -0.000 11.385 -8.708) 14.333 2.540 ( -0.000 -12.758 -11.216) 16.987 2.614 ( 0.000 5.774 12.158) 13.460 3.960 ( 0.000 6.007 26.095) 26.777 4.530 ( -0.000 0.186 -20.302) 20.303 5.239 ( 0.000 -12.987 6.549) 14.545 5.261 ( 0.000 -5.181 8.522) 9.973 5.882 ( 0.000 13.229 -0.176) 13.230 6.138 ( -0.000 21.665 -12.487) 25.006 6.532 ( 0.000 5.763 13.833) 14.985 6.817 ( -0.000 6.705 -7.982) 10.425 9.838 ( 0.000 -1.661 13.830) 13.929 9.985 ( 0.000 1.386 21.733) 21.777 10.268 ( -0.000 -8.031 -17.826) 19.551 10.374 ( -0.000 5.956 -16.329) 17.381 12.541 ( -0.000 -21.404 -8.363) 22.980 12.546 ( 0.000 -8.799 7.212) 11.377 17.583 ( -0.000 -12.207 -2.177) 12.400 17.936 ( 0.000 -3.419 4.273) 5.473 17.943 ( -0.000 8.452 -2.526) 8.821 18.160 ( -0.000 2.000 -0.375) 2.035 21.614 ( 0.000 -12.002 2.855) 12.337 21.638 ( -0.000 -16.210 0.267) 16.212 27.399 ( -0.000 -1.248 -1.717) 2.122 27.414 ( 0.000 1.421 1.203) 1.862 36.363 ( 0.000 3.549 4.758) 5.936 36.826 ( -0.000 7.445 -4.721) 8.816 36.829 ( 0.000 13.474 4.862) 14.325 37.519 ( -0.000 40.582 -11.761) 42.252 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 9.170 -2.274 7.034) 11.779 2.287 ( -2.276 -10.766 -12.371) 16.557 2.643 ( -0.685 3.170 -0.443) 3.273 2.674 ( -2.257 12.020 5.106) 13.253 4.157 ( 3.098 2.138 18.561) 18.939 4.397 ( -2.950 -1.552 -17.952) 18.259 5.103 ( -2.471 -14.175 3.465) 14.800 5.181 ( -7.205 -6.618 3.292) 10.322 6.126 ( 10.982 13.277 5.958) 18.231 6.317 ( 2.864 20.527 -10.149) 23.077 6.702 ( 5.712 5.141 9.852) 12.495 6.859 ( -0.333 8.887 -6.332) 10.917 9.887 ( 2.029 -5.545 10.471) 12.021 10.073 ( -3.898 -6.328 -13.493) 15.404 10.111 ( 3.895 -1.257 17.569) 18.040 10.364 ( -2.159 7.855 -13.534) 15.797 12.277 ( -1.103 -21.443 -6.529) 22.442 12.377 ( -12.635 -9.727 5.636) 16.912 17.525 ( 8.283 -11.725 -1.843) 14.474 17.768 ( -12.568 1.788 1.923) 12.840 18.111 ( 4.962 4.269 -0.765) 6.590 18.162 ( -1.171 1.701 0.100) 2.068 21.454 ( -4.413 -13.148 1.206) 13.921 21.462 ( -4.371 -12.077 0.293) 12.847 27.397 ( 1.916 -0.458 -1.652) 2.571 27.427 ( -1.259 2.534 1.106) 3.038 36.495 ( 7.680 3.067 3.395) 8.939 36.700 ( -9.136 9.014 -1.785) 12.958 37.320 ( 25.423 11.244 9.427) 29.353 37.808 ( -3.022 35.841 -14.434) 38.756 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 3.189 -10.920 -9.149) 14.599 2.137 ( -11.052 -2.698 9.149) 14.599 2.789 ( 8.205 10.359 -13.228) 18.698 2.789 ( 4.869 12.285 13.228) 18.698 4.243 ( 0.491 -5.075 -14.852) 15.703 4.243 ( -4.641 -2.112 14.852) 15.703 4.943 ( -3.814 -12.781 -6.952) 15.041 4.943 ( -9.161 -9.694 6.952) 15.041 6.488 ( 1.031 14.946 -6.312) 16.257 6.488 ( 12.428 8.366 6.312) 16.257 6.915 ( 0.248 10.592 -4.942) 11.691 6.915 ( 9.049 5.511 4.942) 11.691 9.881 ( -4.592 -5.316 -9.815) 12.070 9.881 ( -2.308 -6.635 9.815) 12.070 10.298 ( -3.907 6.491 -13.876) 15.810 10.298 ( 7.574 -0.138 13.876) 15.810 12.040 ( -0.637 -19.305 -5.342) 20.040 12.040 ( -16.400 -10.204 5.342) 20.040 17.577 ( 3.831 -7.054 -5.176) 9.551 17.577 ( -8.025 -0.210 5.176) 9.551 18.187 ( 1.121 3.229 -5.848) 6.774 18.187 ( 2.236 2.586 5.848) 6.774 21.266 ( -5.323 -9.428 -1.460) 10.925 21.266 ( -5.503 -9.324 1.460) 10.925 27.438 ( 3.323 0.740 -1.558) 3.744 27.438 ( -1.021 3.248 1.558) 3.744 36.673 ( -1.650 7.255 -1.680) 7.628 36.673 ( 7.108 2.199 1.680) 7.628 37.947 ( -8.755 28.845 -15.270) 33.791 37.947 ( 29.358 6.841 15.270) 33.791 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.000 -1.132 2.665) 2.895 2.043 ( -0.000 -19.423 -12.563) 23.132 2.752 ( -0.000 15.499 -3.621) 15.917 2.845 ( 0.000 1.849 13.635) 13.759 4.223 ( 0.000 1.866 8.646) 8.845 4.281 ( -0.000 -6.515 -19.127) 20.206 5.006 ( 0.000 -14.162 4.463) 14.848 5.236 ( 0.000 -3.458 3.332) 4.802 6.176 ( 0.000 11.131 7.975) 13.693 6.440 ( -0.000 20.786 -10.661) 23.360 6.759 ( 0.000 4.662 9.779) 10.833 6.944 ( -0.000 11.380 -4.094) 12.094 9.837 ( 0.000 -6.329 5.325) 8.271 9.941 ( -0.000 -9.461 -9.514) 13.417 10.151 ( 0.000 -5.382 15.795) 16.687 10.444 ( -0.000 12.098 -8.729) 14.918 12.041 ( -0.000 -19.673 -7.529) 21.064 12.421 ( 0.000 -9.685 3.595) 10.331 17.323 ( -0.000 -11.831 -1.222) 11.894 17.880 ( 0.000 -6.391 3.981) 7.530 18.136 ( -0.000 14.148 -3.930) 14.684 18.184 ( 0.000 -0.190 1.448) 1.460 21.369 ( 0.000 -12.133 0.920) 12.168 21.372 ( -0.000 -12.791 -1.156) 12.843 27.366 ( -0.000 -0.116 -1.794) 1.798 27.472 ( 0.000 3.168 1.036) 3.333 36.498 ( 0.000 5.449 4.019) 6.770 36.920 ( -0.000 6.412 -3.721) 7.413 37.203 ( 0.000 12.259 16.178) 20.298 38.109 ( -0.000 34.408 -15.118) 37.583 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 0.000 0.000 20.904) 20.904 2.147 ( 0.000 0.000 20.904) 20.904 2.636 ( -0.000 -0.000 -10.482) 10.482 2.636 ( -0.000 -0.000 -10.482) 10.482 3.605 ( 0.000 0.000 39.347) 39.347 4.661 ( -0.000 -0.000 -29.423) 29.423 5.322 ( 0.000 0.000 12.632) 12.632 5.322 ( 0.000 0.000 12.632) 12.632 5.715 ( -0.000 -0.000 -12.288) 12.288 5.715 ( -0.000 -0.000 -12.288) 12.288 6.268 ( 0.000 0.000 18.173) 18.173 6.767 ( -0.000 -0.000 -14.001) 14.001 9.747 ( 0.000 0.000 24.185) 24.185 9.747 ( 0.000 0.000 24.185) 24.185 10.473 ( -0.000 -0.000 -22.177) 22.177 10.473 ( -0.000 -0.000 -22.177) 22.177 12.730 ( 0.000 0.000 9.234) 9.234 13.048 ( -0.000 -0.000 -11.094) 11.094 17.874 ( 0.000 -0.000 4.260) 4.260 17.874 ( 0.000 -0.000 4.260) 4.260 18.005 ( -0.000 0.000 -4.105) 4.105 18.005 ( -0.000 0.000 -4.105) 4.105 21.860 ( 0.000 0.000 8.286) 8.286 22.115 ( -0.000 -0.000 -8.000) 8.000 27.402 ( 0.000 0.000 1.709) 1.709 27.453 ( -0.000 -0.000 -1.557) 1.557 36.362 ( 0.000 0.000 7.196) 7.196 36.362 ( 0.000 0.000 7.196) 7.196 36.589 ( -0.000 -0.000 -7.354) 7.354 36.589 ( -0.000 0.000 -7.354) 7.354 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -4.673 -2.698 18.086) 18.874 2.341 ( -1.748 -1.009 19.716) 19.819 2.410 ( -4.564 -2.635 -11.750) 12.878 2.767 ( 7.962 4.597 -12.532) 15.542 3.884 ( 7.076 4.085 33.717) 34.693 4.488 ( -2.065 -1.193 -27.212) 27.316 5.371 ( -2.666 -1.539 10.121) 10.579 5.429 ( 0.456 0.263 11.673) 11.685 5.646 ( 4.456 2.572 -7.572) 9.155 5.763 ( 9.020 5.208 -12.617) 16.360 6.446 ( 7.370 4.255 13.853) 16.258 6.719 ( 2.197 1.268 -13.343) 13.582 9.866 ( 1.429 0.825 22.436) 22.497 9.909 ( 1.113 0.642 22.703) 22.739 10.286 ( -3.438 -1.985 -20.704) 21.081 10.408 ( 1.733 1.001 -22.276) 22.365 12.674 ( -9.644 -5.568 9.661) 14.743 12.900 ( -7.456 -4.305 -9.927) 13.140 17.754 ( -7.774 -4.488 3.247) 9.546 17.887 ( -2.495 -1.440 -2.945) 4.120 18.014 ( 4.414 2.549 2.642) 5.742 18.062 ( 2.387 1.378 -3.100) 4.148 21.817 ( -7.276 -4.201 6.548) 10.652 21.939 ( -11.026 -6.366 -4.891) 13.639 27.398 ( -1.121 -0.647 1.524) 1.999 27.435 ( -0.488 -0.282 -1.426) 1.533 36.474 ( -0.901 -0.520 -6.815) 6.894 36.545 ( 7.615 4.397 6.692) 11.050 36.558 ( 15.786 9.114 -0.776) 18.244 36.817 ( 18.644 10.764 -2.576) 21.682 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -4.708 -2.718 3.862) 6.669 2.283 ( -11.270 -6.506 18.329) 22.479 2.444 ( 10.350 5.976 -0.176) 11.952 2.843 ( 4.811 2.778 -13.847) 14.920 4.181 ( 4.277 2.469 24.940) 25.425 4.314 ( -2.190 -1.264 -19.746) 19.908 5.265 ( -9.346 -5.396 1.902) 10.958 5.346 ( -5.774 -3.334 -0.837) 6.720 5.962 ( 12.589 7.268 -9.797) 17.530 5.965 ( 18.432 10.642 8.660) 22.977 6.697 ( 9.568 5.524 7.651) 13.439 6.726 ( 3.705 2.139 -11.507) 12.277 9.961 ( -3.133 -1.809 5.320) 6.434 9.995 ( -3.065 -1.769 17.678) 18.029 10.210 ( 5.776 3.335 -2.377) 7.081 10.311 ( -0.959 -0.554 -20.645) 20.675 12.405 ( -17.653 -10.192 9.392) 22.444 12.655 ( -9.706 -5.604 -6.984) 13.205 17.555 ( -10.508 -6.067 1.447) 12.220 17.915 ( 5.622 3.246 1.052) 6.576 18.002 ( -2.943 -1.699 -4.218) 5.417 18.149 ( 3.320 1.917 1.099) 3.988 21.620 ( -11.419 -6.593 2.353) 13.394 21.643 ( -12.989 -7.499 -0.649) 15.012 27.375 ( -1.278 -0.738 1.425) 2.051 27.433 ( 1.094 0.632 -1.258) 1.783 36.447 ( 1.979 1.143 -6.098) 6.512 36.749 ( 7.491 4.325 5.267) 10.128 36.944 ( 18.179 10.496 -10.753) 23.585 37.377 ( 28.758 16.604 7.347) 34.010 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 0.000 -7.670 15.450) 17.249 2.375 ( -0.000 -2.300 -12.994) 13.196 2.537 ( 0.000 9.317 16.662) 19.090 2.611 ( -0.000 -0.662 -14.711) 14.725 4.027 ( 0.000 2.942 32.804) 32.936 4.366 ( -0.000 2.628 -29.164) 29.282 5.407 ( 0.000 -4.445 10.628) 11.520 5.460 ( 0.000 -5.711 5.355) 7.829 5.638 ( -0.000 9.580 -2.712) 9.957 5.712 ( -0.000 13.766 -12.518) 18.606 6.501 ( 0.000 4.614 15.154) 15.841 6.656 ( -0.000 4.164 -13.350) 13.984 9.956 ( 0.000 -1.756 21.015) 21.089 10.053 ( 0.000 3.138 23.798) 24.004 10.213 ( -0.000 0.666 -21.563) 21.574 10.256 ( -0.000 -1.307 -22.170) 22.208 12.751 ( 0.000 -7.120 9.457) 11.838 12.825 ( -0.000 -11.655 -10.111) 15.429 17.791 ( -0.000 -9.499 -0.524) 9.513 17.864 ( -0.000 -1.035 -0.880) 1.359 17.986 ( 0.000 0.892 4.336) 4.427 18.076 ( -0.000 5.465 -2.977) 6.223 21.851 ( 0.000 -9.114 6.325) 11.094 21.911 ( -0.000 -11.549 -5.540) 12.809 27.412 ( 0.000 -0.333 1.505) 1.541 27.421 ( -0.000 -1.469 -1.506) 2.104 36.369 ( 0.000 -1.231 6.732) 6.844 36.578 ( -0.000 10.880 -2.893) 11.258 36.644 ( -0.000 7.920 -6.267) 10.099 36.789 ( 0.000 28.759 0.865) 28.772 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -3.056 0.733 -13.696) 14.052 2.221 ( 2.163 -2.280 13.696) 14.052 2.614 ( 10.204 -5.092 -15.974) 19.627 2.614 ( -9.512 6.291 15.974) 19.627 4.247 ( -1.547 4.406 -25.314) 25.741 4.247 ( 4.590 0.863 25.314) 25.741 5.342 ( -3.521 -9.198 -3.742) 10.535 5.342 ( -6.205 -7.648 3.742) 10.535 5.880 ( 6.780 17.288 -8.746) 20.526 5.880 ( 11.581 14.516 8.746) 20.526 6.663 ( 1.389 6.690 -11.212) 13.130 6.663 ( 5.099 4.548 11.212) 13.130 10.048 ( -4.869 0.077 -14.486) 15.283 10.048 ( 2.501 -4.178 14.486) 15.283 10.194 ( 1.738 1.468 -17.508) 17.656 10.194 ( 0.402 2.239 17.508) 17.656 12.612 ( -2.894 -15.346 -8.667) 17.860 12.612 ( -11.843 -10.179 8.667) 17.860 17.734 ( 3.474 -8.470 -2.378) 9.459 17.734 ( -9.072 -1.227 2.378) 9.459 18.090 ( -2.454 4.991 -2.014) 5.915 18.090 ( 5.549 0.370 2.014) 5.915 21.706 ( -6.659 -12.001 -2.697) 13.987 21.706 ( -7.063 -11.767 2.697) 13.987 27.406 ( 0.969 -1.053 -1.383) 1.990 27.406 ( -1.396 0.312 1.383) 1.990 36.501 ( -7.108 8.884 -4.560) 12.258 36.501 ( 11.248 -1.713 4.560) 12.258 37.085 ( 0.352 31.294 -4.565) 31.627 37.085 ( 26.925 15.952 4.565) 31.627 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -0.000 -0.000 -16.180) 16.180 2.432 ( -0.000 -0.000 -16.180) 16.180 2.432 ( 0.000 0.000 16.180) 16.180 2.432 ( 0.000 0.000 16.180) 16.180 4.171 ( -0.000 -0.000 -34.635) 34.635 4.171 ( 0.000 0.000 34.635) 34.635 5.520 ( -0.000 -0.000 -13.078) 13.078 5.520 ( -0.000 -0.000 -13.078) 13.078 5.520 ( 0.000 0.000 13.078) 13.078 5.520 ( 0.000 0.000 13.078) 13.078 6.534 ( -0.000 -0.000 -16.470) 16.470 6.534 ( 0.000 0.000 16.470) 16.470 10.118 ( -0.000 -0.000 -24.014) 24.014 10.118 ( -0.000 -0.000 -24.014) 24.014 10.118 ( 0.000 0.000 24.014) 24.014 10.118 ( 0.000 0.000 24.014) 24.014 12.882 ( -0.000 -0.000 -10.554) 10.554 12.882 ( 0.000 0.000 10.554) 10.554 17.940 ( -0.000 0.000 -4.325) 4.325 17.940 ( 0.000 -0.000 4.325) 4.325 17.940 ( -0.000 0.000 -4.325) 4.325 17.940 ( 0.000 0.000 4.325) 4.325 21.989 ( -0.000 -0.000 -8.442) 8.442 21.989 ( 0.000 0.000 8.442) 8.442 27.428 ( -0.000 -0.000 -1.689) 1.689 27.428 ( 0.000 0.000 1.689) 1.689 36.475 ( -0.000 -0.000 -7.524) 7.524 36.475 ( -0.000 -0.000 -7.524) 7.524 36.475 ( 0.000 0.000 7.524) 7.524 36.475 ( 0.000 0.000 7.524) 7.524 =================== 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 3/51840 10.0 938.381 938.381 2144.815 0.000 -0.000 -0.000 3/51840 20.0 179.965 179.965 290.869 0.000 -0.000 -0.000 3/51840 30.0 80.013 80.013 112.054 0.000 -0.000 -0.000 3/51840 40.0 48.590 48.590 63.401 0.000 -0.000 -0.000 3/51840 50.0 34.489 34.489 43.183 0.000 -0.000 -0.000 3/51840 60.0 26.664 26.664 32.539 0.000 -0.000 -0.000 3/51840 70.0 21.720 21.720 26.056 0.000 -0.000 -0.000 3/51840 80.0 18.324 18.324 21.713 0.000 -0.000 -0.000 3/51840 90.0 15.852 15.852 18.611 0.000 -0.000 -0.000 3/51840 100.0 13.974 13.974 16.287 0.000 -0.000 -0.000 3/51840 110.0 12.500 12.500 14.483 0.000 -0.000 -0.000 3/51840 120.0 11.313 11.313 13.044 0.000 -0.000 -0.000 3/51840 130.0 10.337 10.337 11.869 0.000 -0.000 -0.000 3/51840 140.0 9.521 9.521 10.892 0.000 -0.000 -0.000 3/51840 150.0 8.827 8.827 10.067 0.000 -0.000 -0.000 3/51840 160.0 8.231 8.231 9.360 0.000 -0.000 -0.000 3/51840 170.0 7.713 7.713 8.749 0.000 -0.000 -0.000 3/51840 180.0 7.258 7.258 8.214 0.000 -0.000 -0.000 3/51840 190.0 6.856 6.856 7.743 0.000 -0.000 -0.000 3/51840 200.0 6.498 6.498 7.325 0.000 -0.000 -0.000 3/51840 210.0 6.178 6.178 6.951 0.000 -0.000 -0.000 3/51840 220.0 5.888 5.888 6.615 0.000 -0.000 -0.000 3/51840 230.0 5.626 5.626 6.310 0.000 -0.000 -0.000 3/51840 240.0 5.388 5.388 6.034 0.000 -0.000 -0.000 3/51840 250.0 5.170 5.170 5.782 0.000 -0.000 -0.000 3/51840 260.0 4.970 4.970 5.552 0.000 -0.000 -0.000 3/51840 270.0 4.785 4.785 5.340 0.000 -0.000 -0.000 3/51840 280.0 4.615 4.615 5.144 0.000 -0.000 -0.000 3/51840 290.0 4.458 4.458 4.964 0.000 -0.000 -0.000 3/51840 300.0 4.311 4.311 4.796 0.000 -0.000 -0.000 3/51840 310.0 4.175 4.175 4.640 0.000 -0.000 -0.000 3/51840 320.0 4.047 4.047 4.494 0.000 -0.000 -0.000 3/51840 330.0 3.928 3.928 4.359 0.000 -0.000 -0.000 3/51840 340.0 3.816 3.816 4.231 0.000 -0.000 -0.000 3/51840 350.0 3.711 3.711 4.112 0.000 -0.000 -0.000 3/51840 360.0 3.612 3.612 3.999 0.000 -0.000 -0.000 3/51840 370.0 3.518 3.518 3.894 0.000 -0.000 -0.000 3/51840 380.0 3.430 3.430 3.794 0.000 -0.000 -0.000 3/51840 390.0 3.346 3.346 3.699 0.000 -0.000 -0.000 3/51840 400.0 3.267 3.267 3.610 0.000 -0.000 -0.000 3/51840 410.0 3.192 3.192 3.525 0.000 -0.000 -0.000 3/51840 420.0 3.120 3.120 3.444 0.000 -0.000 -0.000 3/51840 430.0 3.052 3.052 3.368 0.000 -0.000 -0.000 3/51840 440.0 2.987 2.987 3.294 0.000 -0.000 -0.000 3/51840 450.0 2.925 2.925 3.225 0.000 -0.000 -0.000 3/51840 460.0 2.866 2.866 3.158 0.000 -0.000 -0.000 3/51840 470.0 2.809 2.809 3.095 0.000 -0.000 -0.000 3/51840 480.0 2.755 2.755 3.034 0.000 -0.000 -0.000 3/51840 490.0 2.702 2.702 2.975 0.000 -0.000 -0.000 3/51840 500.0 2.652 2.652 2.919 0.000 -0.000 -0.000 3/51840 510.0 2.604 2.604 2.866 0.000 -0.000 -0.000 3/51840 520.0 2.558 2.558 2.814 0.000 -0.000 -0.000 3/51840 530.0 2.514 2.514 2.765 0.000 -0.000 -0.000 3/51840 540.0 2.471 2.471 2.717 0.000 -0.000 -0.000 3/51840 550.0 2.430 2.430 2.671 0.000 -0.000 -0.000 3/51840 560.0 2.390 2.390 2.626 0.000 -0.000 -0.000 3/51840 570.0 2.351 2.351 2.583 0.000 -0.000 -0.000 3/51840 580.0 2.314 2.314 2.542 0.000 -0.000 -0.000 3/51840 590.0 2.278 2.278 2.502 0.000 -0.000 -0.000 3/51840 600.0 2.243 2.243 2.463 0.000 -0.000 -0.000 3/51840 610.0 2.210 2.210 2.426 0.000 -0.000 -0.000 3/51840 620.0 2.177 2.177 2.390 0.000 -0.000 -0.000 3/51840 630.0 2.146 2.146 2.355 0.000 -0.000 -0.000 3/51840 640.0 2.115 2.115 2.321 0.000 -0.000 -0.000 3/51840 650.0 2.085 2.085 2.288 0.000 -0.000 -0.000 3/51840 660.0 2.057 2.057 2.256 0.000 -0.000 -0.000 3/51840 670.0 2.029 2.029 2.225 0.000 -0.000 -0.000 3/51840 680.0 2.001 2.001 2.194 0.000 -0.000 -0.000 3/51840 690.0 1.975 1.975 2.165 0.000 -0.000 -0.000 3/51840 700.0 1.949 1.949 2.136 0.000 -0.000 -0.000 3/51840 710.0 1.924 1.924 2.109 0.000 -0.000 -0.000 3/51840 720.0 1.900 1.900 2.082 0.000 -0.000 -0.000 3/51840 730.0 1.876 1.876 2.055 0.000 -0.000 -0.000 3/51840 740.0 1.853 1.853 2.030 0.000 -0.000 -0.000 3/51840 750.0 1.831 1.831 2.005 0.000 -0.000 -0.000 3/51840 760.0 1.809 1.809 1.980 0.000 -0.000 -0.000 3/51840 770.0 1.787 1.787 1.957 0.000 -0.000 -0.000 3/51840 780.0 1.766 1.766 1.934 0.000 -0.000 -0.000 3/51840 790.0 1.746 1.746 1.911 0.000 -0.000 -0.000 3/51840 800.0 1.726 1.726 1.889 0.000 -0.000 -0.000 3/51840 810.0 1.707 1.707 1.867 0.000 -0.000 -0.000 3/51840 820.0 1.688 1.688 1.846 0.000 -0.000 -0.000 3/51840 830.0 1.669 1.669 1.826 0.000 -0.000 -0.000 3/51840 840.0 1.651 1.651 1.806 0.000 -0.000 -0.000 3/51840 850.0 1.633 1.633 1.786 0.000 -0.000 -0.000 3/51840 860.0 1.616 1.616 1.767 0.000 -0.000 -0.000 3/51840 870.0 1.599 1.599 1.748 0.000 -0.000 -0.000 3/51840 880.0 1.582 1.582 1.730 0.000 -0.000 -0.000 3/51840 890.0 1.566 1.566 1.712 0.000 -0.000 -0.000 3/51840 900.0 1.550 1.550 1.694 0.000 -0.000 -0.000 3/51840 910.0 1.534 1.534 1.677 0.000 -0.000 -0.000 3/51840 920.0 1.519 1.519 1.660 0.000 -0.000 -0.000 3/51840 930.0 1.504 1.504 1.644 0.000 -0.000 -0.000 3/51840 940.0 1.490 1.490 1.627 0.000 -0.000 -0.000 3/51840 950.0 1.475 1.475 1.612 0.000 -0.000 -0.000 3/51840 960.0 1.461 1.461 1.596 0.000 -0.000 -0.000 3/51840 970.0 1.447 1.447 1.581 0.000 -0.000 -0.000 3/51840 980.0 1.434 1.434 1.566 0.000 -0.000 -0.000 3/51840 990.0 1.421 1.421 1.551 0.000 -0.000 -0.000 3/51840 1000.0 1.408 1.408 1.537 0.000 -0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:27:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|