----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:24:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.986883875000000 -6.757715820000000 0.000000000000000 b 1.986883875000000 6.757715820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.614972130000000 Atomic positions (fractional): *1 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 2 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 *3 Bi 0.71418931838067 0.28581068161933 0.75000000000000 208.980 4 Bi 0.28581068161933 0.71418931838067 0.25000000000000 208.980 *5 S 0.08064873664277 0.91935126335723 0.75000000000000 32.065 6 S 0.91935126335724 0.08064873664276 0.25000000000000 32.065 *7 Cl 0.34243849608783 0.65756150391217 0.56365012865710 35.453 8 Cl 0.65756150391217 0.34243849608783 0.43634987134290 35.453 9 Cl 0.65756150391217 0.34243849608783 0.06365012865710 35.453 10 Cl 0.34243849608783 0.65756150391217 0.93634987134290 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.973767749999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.515431639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.614972130000000 Atomic positions (fractional): *1 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 2 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 2 3 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 1 4 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 2 *5 Bi 0.00000000000000 0.28581068161933 0.75000000000000 208.980 > 3 6 Bi 0.50000000000000 0.21418931838067 0.25000000000000 208.980 > 4 7 Bi 0.50000000000000 0.78581068161933 0.75000000000000 208.980 > 3 8 Bi 0.00000000000000 0.71418931838067 0.25000000000000 208.980 > 4 *9 S 0.50000000000000 0.41935126335723 0.75000000000000 32.065 > 5 10 S 0.00000000000000 0.08064873664276 0.25000000000000 32.065 > 6 11 S 0.00000000000000 0.91935126335724 0.75000000000000 32.065 > 5 12 S 0.50000000000000 0.58064873664276 0.25000000000000 32.065 > 6 *13 Cl 0.50000000000000 0.15756150391217 0.56365012865710 35.453 > 7 14 Cl 0.00000000000000 0.34243849608783 0.43634987134290 35.453 > 8 15 Cl 0.00000000000000 0.34243849608783 0.06365012865710 35.453 > 9 16 Cl 0.50000000000000 0.15756150391217 0.93634987134290 35.453 > 10 17 Cl 0.00000000000000 0.65756150391217 0.56365012865710 35.453 > 7 18 Cl 0.50000000000000 0.84243849608783 0.43634987134290 35.453 > 8 19 Cl 0.50000000000000 0.84243849608783 0.06365012865710 35.453 > 9 20 Cl 0.00000000000000 0.65756150391217 0.93634987134290 35.453 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.921303249999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.515431639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 17.229944260000000 Atomic positions (fractional): *1 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 1 2 Ag 0.33333333333333 0.00000000000000 0.25000000000000 107.868 > 1 3 Ag 0.66666666666667 0.00000000000000 0.25000000000000 107.868 > 1 4 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 1 5 Ag 0.33333333333333 0.00000000000000 0.75000000000000 107.868 > 1 6 Ag 0.66666666666667 0.00000000000000 0.75000000000000 107.868 > 1 7 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 2 8 Ag 0.33333333333333 0.00000000000000 0.00000000000000 107.868 > 2 9 Ag 0.66666666666667 0.00000000000000 0.00000000000000 107.868 > 2 10 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 2 11 Ag 0.33333333333333 0.00000000000000 0.50000000000000 107.868 > 2 12 Ag 0.66666666666667 0.00000000000000 0.50000000000000 107.868 > 2 13 Ag 0.16666666666667 0.50000000000000 0.25000000000000 107.868 > 1 14 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 1 15 Ag 0.83333333333333 0.50000000000000 0.25000000000000 107.868 > 1 16 Ag 0.16666666666667 0.50000000000000 0.75000000000000 107.868 > 1 17 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 1 18 Ag 0.83333333333333 0.50000000000000 0.75000000000000 107.868 > 1 19 Ag 0.16666666666667 0.50000000000000 0.00000000000000 107.868 > 2 20 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 2 21 Ag 0.83333333333333 0.50000000000000 0.00000000000000 107.868 > 2 22 Ag 0.16666666666667 0.50000000000000 0.50000000000000 107.868 > 2 23 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 2 24 Ag 0.83333333333333 0.50000000000000 0.50000000000000 107.868 > 2 *25 Bi 0.00000000000000 0.28581068161933 0.37500000000000 208.980 > 3 26 Bi 0.33333333333333 0.28581068161933 0.37500000000000 208.980 > 3 27 Bi 0.66666666666667 0.28581068161933 0.37500000000000 208.980 > 3 28 Bi 0.00000000000000 0.28581068161933 0.87500000000000 208.980 > 3 29 Bi 0.33333333333333 0.28581068161933 0.87500000000000 208.980 > 3 30 Bi 0.66666666666667 0.28581068161933 0.87500000000000 208.980 > 3 31 Bi 0.16666666666667 0.21418931838067 0.12500000000000 208.980 > 4 32 Bi 0.50000000000000 0.21418931838067 0.12500000000000 208.980 > 4 33 Bi 0.83333333333333 0.21418931838067 0.12500000000000 208.980 > 4 34 Bi 0.16666666666667 0.21418931838067 0.62500000000000 208.980 > 4 35 Bi 0.50000000000000 0.21418931838067 0.62500000000000 208.980 > 4 36 Bi 0.83333333333333 0.21418931838067 0.62500000000000 208.980 > 4 37 Bi 0.16666666666667 0.78581068161933 0.37500000000000 208.980 > 3 38 Bi 0.50000000000000 0.78581068161933 0.37500000000000 208.980 > 3 39 Bi 0.83333333333333 0.78581068161933 0.37500000000000 208.980 > 3 40 Bi 0.16666666666667 0.78581068161933 0.87500000000000 208.980 > 3 41 Bi 0.50000000000000 0.78581068161933 0.87500000000000 208.980 > 3 42 Bi 0.83333333333333 0.78581068161933 0.87500000000000 208.980 > 3 43 Bi 0.00000000000000 0.71418931838067 0.12500000000000 208.980 > 4 44 Bi 0.33333333333333 0.71418931838067 0.12500000000000 208.980 > 4 45 Bi 0.66666666666667 0.71418931838067 0.12500000000000 208.980 > 4 46 Bi 0.00000000000000 0.71418931838067 0.62500000000000 208.980 > 4 47 Bi 0.33333333333333 0.71418931838067 0.62500000000000 208.980 > 4 48 Bi 0.66666666666667 0.71418931838067 0.62500000000000 208.980 > 4 *49 S 0.16666666666667 0.41935126335723 0.37500000000000 32.065 > 5 50 S 0.50000000000000 0.41935126335723 0.37500000000000 32.065 > 5 51 S 0.83333333333333 0.41935126335723 0.37500000000000 32.065 > 5 52 S 0.16666666666667 0.41935126335723 0.87500000000000 32.065 > 5 53 S 0.50000000000000 0.41935126335723 0.87500000000000 32.065 > 5 54 S 0.83333333333333 0.41935126335723 0.87500000000000 32.065 > 5 55 S 0.00000000000000 0.08064873664276 0.12500000000000 32.065 > 6 56 S 0.33333333333333 0.08064873664276 0.12500000000000 32.065 > 6 57 S 0.66666666666667 0.08064873664276 0.12500000000000 32.065 > 6 58 S 0.00000000000000 0.08064873664276 0.62500000000000 32.065 > 6 59 S 0.33333333333333 0.08064873664276 0.62500000000000 32.065 > 6 60 S 0.66666666666667 0.08064873664276 0.62500000000000 32.065 > 6 61 S 0.00000000000000 0.91935126335724 0.37500000000000 32.065 > 5 62 S 0.33333333333333 0.91935126335724 0.37500000000000 32.065 > 5 63 S 0.66666666666667 0.91935126335724 0.37500000000000 32.065 > 5 64 S 0.00000000000000 0.91935126335724 0.87500000000000 32.065 > 5 65 S 0.33333333333333 0.91935126335724 0.87500000000000 32.065 > 5 66 S 0.66666666666667 0.91935126335724 0.87500000000000 32.065 > 5 67 S 0.16666666666667 0.58064873664276 0.12500000000000 32.065 > 6 68 S 0.50000000000000 0.58064873664276 0.12500000000000 32.065 > 6 69 S 0.83333333333333 0.58064873664276 0.12500000000000 32.065 > 6 70 S 0.16666666666667 0.58064873664276 0.62500000000000 32.065 > 6 71 S 0.50000000000000 0.58064873664276 0.62500000000000 32.065 > 6 72 S 0.83333333333333 0.58064873664276 0.62500000000000 32.065 > 6 *73 Cl 0.16666666666667 0.15756150391217 0.28182506432855 35.453 > 7 74 Cl 0.50000000000000 0.15756150391217 0.28182506432855 35.453 > 7 75 Cl 0.83333333333333 0.15756150391217 0.28182506432855 35.453 > 7 76 Cl 0.16666666666667 0.15756150391217 0.78182506432855 35.453 > 7 77 Cl 0.50000000000000 0.15756150391217 0.78182506432855 35.453 > 7 78 Cl 0.83333333333333 0.15756150391217 0.78182506432855 35.453 > 7 79 Cl 0.00000000000000 0.34243849608783 0.21817493567145 35.453 > 8 80 Cl 0.33333333333333 0.34243849608783 0.21817493567145 35.453 > 8 81 Cl 0.66666666666667 0.34243849608783 0.21817493567145 35.453 > 8 82 Cl 0.00000000000000 0.34243849608783 0.71817493567145 35.453 > 8 83 Cl 0.33333333333333 0.34243849608783 0.71817493567145 35.453 > 8 84 Cl 0.66666666666667 0.34243849608783 0.71817493567145 35.453 > 8 85 Cl 0.00000000000000 0.34243849608783 0.03182506432855 35.453 > 9 86 Cl 0.33333333333333 0.34243849608783 0.03182506432855 35.453 > 9 87 Cl 0.66666666666667 0.34243849608783 0.03182506432855 35.453 > 9 88 Cl 0.00000000000000 0.34243849608783 0.53182506432855 35.453 > 9 89 Cl 0.33333333333333 0.34243849608783 0.53182506432855 35.453 > 9 90 Cl 0.66666666666667 0.34243849608783 0.53182506432855 35.453 > 9 91 Cl 0.16666666666667 0.15756150391217 0.46817493567145 35.453 > 10 92 Cl 0.50000000000000 0.15756150391217 0.46817493567145 35.453 > 10 93 Cl 0.83333333333333 0.15756150391217 0.46817493567145 35.453 > 10 94 Cl 0.16666666666667 0.15756150391217 0.96817493567145 35.453 > 10 95 Cl 0.50000000000000 0.15756150391217 0.96817493567145 35.453 > 10 96 Cl 0.83333333333333 0.15756150391217 0.96817493567145 35.453 > 10 97 Cl 0.00000000000000 0.65756150391217 0.28182506432855 35.453 > 7 98 Cl 0.33333333333333 0.65756150391217 0.28182506432855 35.453 > 7 99 Cl 0.66666666666667 0.65756150391217 0.28182506432855 35.453 > 7 100 Cl 0.00000000000000 0.65756150391217 0.78182506432855 35.453 > 7 101 Cl 0.33333333333333 0.65756150391217 0.78182506432855 35.453 > 7 102 Cl 0.66666666666667 0.65756150391217 0.78182506432855 35.453 > 7 103 Cl 0.16666666666667 0.84243849608783 0.21817493567145 35.453 > 8 104 Cl 0.50000000000000 0.84243849608783 0.21817493567145 35.453 > 8 105 Cl 0.83333333333333 0.84243849608783 0.21817493567145 35.453 > 8 106 Cl 0.16666666666667 0.84243849608783 0.71817493567145 35.453 > 8 107 Cl 0.50000000000000 0.84243849608783 0.71817493567145 35.453 > 8 108 Cl 0.83333333333333 0.84243849608783 0.71817493567145 35.453 > 8 109 Cl 0.16666666666667 0.84243849608783 0.03182506432855 35.453 > 9 110 Cl 0.50000000000000 0.84243849608783 0.03182506432855 35.453 > 9 111 Cl 0.83333333333333 0.84243849608783 0.03182506432855 35.453 > 9 112 Cl 0.16666666666667 0.84243849608783 0.53182506432855 35.453 > 9 113 Cl 0.50000000000000 0.84243849608783 0.53182506432855 35.453 > 9 114 Cl 0.83333333333333 0.84243849608783 0.53182506432855 35.453 > 9 115 Cl 0.00000000000000 0.65756150391217 0.46817493567145 35.453 > 10 116 Cl 0.33333333333333 0.65756150391217 0.46817493567145 35.453 > 10 117 Cl 0.66666666666667 0.65756150391217 0.46817493567145 35.453 > 10 118 Cl 0.00000000000000 0.65756150391217 0.96817493567145 35.453 > 10 119 Cl 0.33333333333333 0.65756150391217 0.96817493567145 35.453 > 10 120 Cl 0.66666666666667 0.65756150391217 0.96817493567145 35.453 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5551197 0.0000000 0.0000000 0.0000000 6.8976329 0.0000000 0.0000000 0.0000000 8.1916319 -------------------------- Born effective charges -------------------------- 1 Ag 1.0796924 0.0000000 0.0000000 0.0000000 1.3858528 0.1830420 0.0000000 -0.1797363 0.8039888 2 Ag 1.0796924 0.0000000 0.0000000 0.0000000 1.3858528 -0.1830420 0.0000000 0.1797363 0.8039888 3 Bi 5.9730183 0.0000000 0.0000000 0.0000000 3.0249285 0.0000000 0.0000000 0.0000000 5.5862316 4 Bi 5.9730183 0.0000000 0.0000000 0.0000000 3.0249285 0.0000000 0.0000000 0.0000000 5.5862316 5 S -3.2598570 0.0000000 0.0000000 0.0000000 -1.4214367 0.0000000 0.0000000 0.0000000 -0.3861728 6 S -3.2598570 0.0000000 0.0000000 0.0000000 -1.4214367 0.0000000 0.0000000 0.0000000 -0.3861728 7 Cl -1.8964268 0.0000000 0.0000000 0.0000000 -1.4946723 -0.4355235 0.0000000 -0.2801952 -3.0020238 8 Cl -1.8964268 0.0000000 0.0000000 0.0000000 -1.4946723 -0.4355235 0.0000000 -0.2801952 -3.0020238 9 Cl -1.8964268 0.0000000 0.0000000 0.0000000 -1.4946723 0.4355235 0.0000000 0.2801952 -3.0020238 10 Cl -1.8964268 0.0000000 0.0000000 0.0000000 -1.4946723 0.4355235 0.0000000 0.2801952 -3.0020238 ---------------------------------------------------------------------------- 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: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 804 Number of blocks in projector: 804 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 90 Use standard eigh solver. Tree of FC basis block matrices: - (804, 788), data: False |-- (90, 90), data: True |-- (106, 106), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (188, 184), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.811 Solver_block: 160 / 160 - Time: 0.538 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.466 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 804 Number of blocks in projector: 804 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 90 Use standard eigh solver. Tree of FC basis block matrices: - (804, 788), data: False |-- (90, 90), data: True |-- (106, 106), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (188, 184), 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 12:24:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:24:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.986883875000000 -6.757715820000000 0.000000000000000 b 1.986883875000000 6.757715820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.614972130000000 Atomic positions (fractional): 1 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 2 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 3 Bi 0.71418931838067 0.28581068161933 0.75000000000000 208.980 4 Bi 0.28581068161933 0.71418931838067 0.25000000000000 208.980 5 S 0.08064873664277 0.91935126335723 0.75000000000000 32.065 6 S 0.91935126335724 0.08064873664276 0.25000000000000 32.065 7 Cl 0.34243849608783 0.65756150391217 0.56365012865710 35.453 8 Cl 0.65756150391217 0.34243849608783 0.43634987134290 35.453 9 Cl 0.65756150391217 0.34243849608783 0.06365012865710 35.453 10 Cl 0.34243849608783 0.65756150391217 0.93634987134290 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.921303249999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.515431639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 17.229944260000000 Atomic positions (fractional): 1 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 1 2 Ag 0.33333333333333 0.00000000000000 0.25000000000000 107.868 > 1 3 Ag 0.66666666666667 0.00000000000000 0.25000000000000 107.868 > 1 4 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 1 5 Ag 0.33333333333333 0.00000000000000 0.75000000000000 107.868 > 1 6 Ag 0.66666666666667 0.00000000000000 0.75000000000000 107.868 > 1 7 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 7 8 Ag 0.33333333333333 0.00000000000000 0.00000000000000 107.868 > 7 9 Ag 0.66666666666667 0.00000000000000 0.00000000000000 107.868 > 7 10 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 7 11 Ag 0.33333333333333 0.00000000000000 0.50000000000000 107.868 > 7 12 Ag 0.66666666666667 0.00000000000000 0.50000000000000 107.868 > 7 13 Ag 0.16666666666667 0.50000000000000 0.25000000000000 107.868 > 1 14 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 1 15 Ag 0.83333333333333 0.50000000000000 0.25000000000000 107.868 > 1 16 Ag 0.16666666666667 0.50000000000000 0.75000000000000 107.868 > 1 17 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 1 18 Ag 0.83333333333333 0.50000000000000 0.75000000000000 107.868 > 1 19 Ag 0.16666666666667 0.50000000000000 0.00000000000000 107.868 > 7 20 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 7 21 Ag 0.83333333333333 0.50000000000000 0.00000000000000 107.868 > 7 22 Ag 0.16666666666667 0.50000000000000 0.50000000000000 107.868 > 7 23 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 7 24 Ag 0.83333333333333 0.50000000000000 0.50000000000000 107.868 > 7 25 Bi 0.00000000000000 0.28581068161933 0.37500000000000 208.980 > 25 26 Bi 0.33333333333333 0.28581068161933 0.37500000000000 208.980 > 25 27 Bi 0.66666666666667 0.28581068161933 0.37500000000000 208.980 > 25 28 Bi 0.00000000000000 0.28581068161933 0.87500000000000 208.980 > 25 29 Bi 0.33333333333333 0.28581068161933 0.87500000000000 208.980 > 25 30 Bi 0.66666666666667 0.28581068161933 0.87500000000000 208.980 > 25 31 Bi 0.16666666666667 0.21418931838067 0.12500000000000 208.980 > 31 32 Bi 0.50000000000000 0.21418931838067 0.12500000000000 208.980 > 31 33 Bi 0.83333333333333 0.21418931838067 0.12500000000000 208.980 > 31 34 Bi 0.16666666666667 0.21418931838067 0.62500000000000 208.980 > 31 35 Bi 0.50000000000000 0.21418931838067 0.62500000000000 208.980 > 31 36 Bi 0.83333333333333 0.21418931838067 0.62500000000000 208.980 > 31 37 Bi 0.16666666666667 0.78581068161933 0.37500000000000 208.980 > 25 38 Bi 0.50000000000000 0.78581068161933 0.37500000000000 208.980 > 25 39 Bi 0.83333333333333 0.78581068161933 0.37500000000000 208.980 > 25 40 Bi 0.16666666666667 0.78581068161933 0.87500000000000 208.980 > 25 41 Bi 0.50000000000000 0.78581068161933 0.87500000000000 208.980 > 25 42 Bi 0.83333333333333 0.78581068161933 0.87500000000000 208.980 > 25 43 Bi 0.00000000000000 0.71418931838067 0.12500000000000 208.980 > 31 44 Bi 0.33333333333333 0.71418931838067 0.12500000000000 208.980 > 31 45 Bi 0.66666666666667 0.71418931838067 0.12500000000000 208.980 > 31 46 Bi 0.00000000000000 0.71418931838067 0.62500000000000 208.980 > 31 47 Bi 0.33333333333333 0.71418931838067 0.62500000000000 208.980 > 31 48 Bi 0.66666666666667 0.71418931838067 0.62500000000000 208.980 > 31 49 S 0.16666666666667 0.41935126335723 0.37500000000000 32.065 > 49 50 S 0.50000000000000 0.41935126335723 0.37500000000000 32.065 > 49 51 S 0.83333333333333 0.41935126335723 0.37500000000000 32.065 > 49 52 S 0.16666666666667 0.41935126335723 0.87500000000000 32.065 > 49 53 S 0.50000000000000 0.41935126335723 0.87500000000000 32.065 > 49 54 S 0.83333333333333 0.41935126335723 0.87500000000000 32.065 > 49 55 S 0.00000000000000 0.08064873664276 0.12500000000000 32.065 > 55 56 S 0.33333333333333 0.08064873664276 0.12500000000000 32.065 > 55 57 S 0.66666666666667 0.08064873664276 0.12500000000000 32.065 > 55 58 S 0.00000000000000 0.08064873664276 0.62500000000000 32.065 > 55 59 S 0.33333333333333 0.08064873664276 0.62500000000000 32.065 > 55 60 S 0.66666666666667 0.08064873664276 0.62500000000000 32.065 > 55 61 S 0.00000000000000 0.91935126335724 0.37500000000000 32.065 > 49 62 S 0.33333333333333 0.91935126335724 0.37500000000000 32.065 > 49 63 S 0.66666666666667 0.91935126335724 0.37500000000000 32.065 > 49 64 S 0.00000000000000 0.91935126335724 0.87500000000000 32.065 > 49 65 S 0.33333333333333 0.91935126335724 0.87500000000000 32.065 > 49 66 S 0.66666666666667 0.91935126335724 0.87500000000000 32.065 > 49 67 S 0.16666666666667 0.58064873664276 0.12500000000000 32.065 > 55 68 S 0.50000000000000 0.58064873664276 0.12500000000000 32.065 > 55 69 S 0.83333333333333 0.58064873664276 0.12500000000000 32.065 > 55 70 S 0.16666666666667 0.58064873664276 0.62500000000000 32.065 > 55 71 S 0.50000000000000 0.58064873664276 0.62500000000000 32.065 > 55 72 S 0.83333333333333 0.58064873664276 0.62500000000000 32.065 > 55 73 Cl 0.16666666666667 0.15756150391217 0.28182506432855 35.453 > 73 74 Cl 0.50000000000000 0.15756150391217 0.28182506432855 35.453 > 73 75 Cl 0.83333333333333 0.15756150391217 0.28182506432855 35.453 > 73 76 Cl 0.16666666666667 0.15756150391217 0.78182506432855 35.453 > 73 77 Cl 0.50000000000000 0.15756150391217 0.78182506432855 35.453 > 73 78 Cl 0.83333333333333 0.15756150391217 0.78182506432855 35.453 > 73 79 Cl 0.00000000000000 0.34243849608783 0.21817493567145 35.453 > 79 80 Cl 0.33333333333333 0.34243849608783 0.21817493567145 35.453 > 79 81 Cl 0.66666666666667 0.34243849608783 0.21817493567145 35.453 > 79 82 Cl 0.00000000000000 0.34243849608783 0.71817493567145 35.453 > 79 83 Cl 0.33333333333333 0.34243849608783 0.71817493567145 35.453 > 79 84 Cl 0.66666666666667 0.34243849608783 0.71817493567145 35.453 > 79 85 Cl 0.00000000000000 0.34243849608783 0.03182506432855 35.453 > 85 86 Cl 0.33333333333333 0.34243849608783 0.03182506432855 35.453 > 85 87 Cl 0.66666666666667 0.34243849608783 0.03182506432855 35.453 > 85 88 Cl 0.00000000000000 0.34243849608783 0.53182506432855 35.453 > 85 89 Cl 0.33333333333333 0.34243849608783 0.53182506432855 35.453 > 85 90 Cl 0.66666666666667 0.34243849608783 0.53182506432855 35.453 > 85 91 Cl 0.16666666666667 0.15756150391217 0.46817493567145 35.453 > 91 92 Cl 0.50000000000000 0.15756150391217 0.46817493567145 35.453 > 91 93 Cl 0.83333333333333 0.15756150391217 0.46817493567145 35.453 > 91 94 Cl 0.16666666666667 0.15756150391217 0.96817493567145 35.453 > 91 95 Cl 0.50000000000000 0.15756150391217 0.96817493567145 35.453 > 91 96 Cl 0.83333333333333 0.15756150391217 0.96817493567145 35.453 > 91 97 Cl 0.00000000000000 0.65756150391217 0.28182506432855 35.453 > 73 98 Cl 0.33333333333333 0.65756150391217 0.28182506432855 35.453 > 73 99 Cl 0.66666666666667 0.65756150391217 0.28182506432855 35.453 > 73 100 Cl 0.00000000000000 0.65756150391217 0.78182506432855 35.453 > 73 101 Cl 0.33333333333333 0.65756150391217 0.78182506432855 35.453 > 73 102 Cl 0.66666666666667 0.65756150391217 0.78182506432855 35.453 > 73 103 Cl 0.16666666666667 0.84243849608783 0.21817493567145 35.453 > 79 104 Cl 0.50000000000000 0.84243849608783 0.21817493567145 35.453 > 79 105 Cl 0.83333333333333 0.84243849608783 0.21817493567145 35.453 > 79 106 Cl 0.16666666666667 0.84243849608783 0.71817493567145 35.453 > 79 107 Cl 0.50000000000000 0.84243849608783 0.71817493567145 35.453 > 79 108 Cl 0.83333333333333 0.84243849608783 0.71817493567145 35.453 > 79 109 Cl 0.16666666666667 0.84243849608783 0.03182506432855 35.453 > 85 110 Cl 0.50000000000000 0.84243849608783 0.03182506432855 35.453 > 85 111 Cl 0.83333333333333 0.84243849608783 0.03182506432855 35.453 > 85 112 Cl 0.16666666666667 0.84243849608783 0.53182506432855 35.453 > 85 113 Cl 0.50000000000000 0.84243849608783 0.53182506432855 35.453 > 85 114 Cl 0.83333333333333 0.84243849608783 0.53182506432855 35.453 > 85 115 Cl 0.00000000000000 0.65756150391217 0.46817493567145 35.453 > 91 116 Cl 0.33333333333333 0.65756150391217 0.46817493567145 35.453 > 91 117 Cl 0.66666666666667 0.65756150391217 0.46817493567145 35.453 > 91 118 Cl 0.00000000000000 0.65756150391217 0.96817493567145 35.453 > 91 119 Cl 0.33333333333333 0.65756150391217 0.96817493567145 35.453 > 91 120 Cl 0.66666666666667 0.65756150391217 0.96817493567145 35.453 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5551197 0.0000000 0.0000000 0.0000000 6.8976329 0.0000000 0.0000000 0.0000000 8.1916319 -------------------------- Born effective charges -------------------------- 1 Ag 1.0796924 0.0000000 0.0000000 0.0000000 1.3858528 0.1830420 0.0000000 -0.1797363 0.8039888 2 Ag 1.0796924 0.0000000 0.0000000 0.0000000 1.3858528 -0.1830420 0.0000000 0.1797363 0.8039888 3 Bi 5.9730183 0.0000000 0.0000000 0.0000000 3.0249285 0.0000000 0.0000000 0.0000000 5.5862316 4 Bi 5.9730183 0.0000000 0.0000000 0.0000000 3.0249285 0.0000000 0.0000000 0.0000000 5.5862316 5 S -3.2598570 0.0000000 0.0000000 0.0000000 -1.4214367 0.0000000 0.0000000 0.0000000 -0.3861728 6 S -3.2598570 0.0000000 0.0000000 0.0000000 -1.4214367 0.0000000 0.0000000 0.0000000 -0.3861728 7 Cl -1.8964268 0.0000000 0.0000000 0.0000000 -1.4946723 -0.4355235 0.0000000 -0.2801952 -3.0020238 8 Cl -1.8964268 0.0000000 0.0000000 0.0000000 -1.4946723 -0.4355235 0.0000000 -0.2801952 -3.0020238 9 Cl -1.8964268 0.0000000 0.0000000 0.0000000 -1.4946723 0.4355235 0.0000000 0.2801952 -3.0020238 10 Cl -1.8964268 0.0000000 0.0000000 0.0000000 -1.4946723 0.4355235 0.0000000 0.2801952 -3.0020238 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000000 (zyz) -0.00000000 (zyz) -0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:24:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:24:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.986883875000000 -6.757715820000000 0.000000000000000 b 1.986883875000000 6.757715820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.614972130000000 Atomic positions (fractional): 1 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 2 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 3 Bi 0.71418931838067 0.28581068161933 0.75000000000000 208.980 4 Bi 0.28581068161933 0.71418931838067 0.25000000000000 208.980 5 S 0.08064873664277 0.91935126335723 0.75000000000000 32.065 6 S 0.91935126335724 0.08064873664276 0.25000000000000 32.065 7 Cl 0.34243849608783 0.65756150391217 0.56365012865710 35.453 8 Cl 0.65756150391217 0.34243849608783 0.43634987134290 35.453 9 Cl 0.65756150391217 0.34243849608783 0.06365012865710 35.453 10 Cl 0.34243849608783 0.65756150391217 0.93634987134290 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.921303249999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.515431639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 17.229944260000000 Atomic positions (fractional): 1 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 1 2 Ag 0.33333333333333 0.00000000000000 0.25000000000000 107.868 > 1 3 Ag 0.66666666666667 0.00000000000000 0.25000000000000 107.868 > 1 4 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 1 5 Ag 0.33333333333333 0.00000000000000 0.75000000000000 107.868 > 1 6 Ag 0.66666666666667 0.00000000000000 0.75000000000000 107.868 > 1 7 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 7 8 Ag 0.33333333333333 0.00000000000000 0.00000000000000 107.868 > 7 9 Ag 0.66666666666667 0.00000000000000 0.00000000000000 107.868 > 7 10 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 7 11 Ag 0.33333333333333 0.00000000000000 0.50000000000000 107.868 > 7 12 Ag 0.66666666666667 0.00000000000000 0.50000000000000 107.868 > 7 13 Ag 0.16666666666667 0.50000000000000 0.25000000000000 107.868 > 1 14 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 1 15 Ag 0.83333333333333 0.50000000000000 0.25000000000000 107.868 > 1 16 Ag 0.16666666666667 0.50000000000000 0.75000000000000 107.868 > 1 17 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 1 18 Ag 0.83333333333333 0.50000000000000 0.75000000000000 107.868 > 1 19 Ag 0.16666666666667 0.50000000000000 0.00000000000000 107.868 > 7 20 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 7 21 Ag 0.83333333333333 0.50000000000000 0.00000000000000 107.868 > 7 22 Ag 0.16666666666667 0.50000000000000 0.50000000000000 107.868 > 7 23 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 7 24 Ag 0.83333333333333 0.50000000000000 0.50000000000000 107.868 > 7 25 Bi 0.00000000000000 0.28581068161933 0.37500000000000 208.980 > 25 26 Bi 0.33333333333333 0.28581068161933 0.37500000000000 208.980 > 25 27 Bi 0.66666666666667 0.28581068161933 0.37500000000000 208.980 > 25 28 Bi 0.00000000000000 0.28581068161933 0.87500000000000 208.980 > 25 29 Bi 0.33333333333333 0.28581068161933 0.87500000000000 208.980 > 25 30 Bi 0.66666666666667 0.28581068161933 0.87500000000000 208.980 > 25 31 Bi 0.16666666666667 0.21418931838067 0.12500000000000 208.980 > 31 32 Bi 0.50000000000000 0.21418931838067 0.12500000000000 208.980 > 31 33 Bi 0.83333333333333 0.21418931838067 0.12500000000000 208.980 > 31 34 Bi 0.16666666666667 0.21418931838067 0.62500000000000 208.980 > 31 35 Bi 0.50000000000000 0.21418931838067 0.62500000000000 208.980 > 31 36 Bi 0.83333333333333 0.21418931838067 0.62500000000000 208.980 > 31 37 Bi 0.16666666666667 0.78581068161933 0.37500000000000 208.980 > 25 38 Bi 0.50000000000000 0.78581068161933 0.37500000000000 208.980 > 25 39 Bi 0.83333333333333 0.78581068161933 0.37500000000000 208.980 > 25 40 Bi 0.16666666666667 0.78581068161933 0.87500000000000 208.980 > 25 41 Bi 0.50000000000000 0.78581068161933 0.87500000000000 208.980 > 25 42 Bi 0.83333333333333 0.78581068161933 0.87500000000000 208.980 > 25 43 Bi 0.00000000000000 0.71418931838067 0.12500000000000 208.980 > 31 44 Bi 0.33333333333333 0.71418931838067 0.12500000000000 208.980 > 31 45 Bi 0.66666666666667 0.71418931838067 0.12500000000000 208.980 > 31 46 Bi 0.00000000000000 0.71418931838067 0.62500000000000 208.980 > 31 47 Bi 0.33333333333333 0.71418931838067 0.62500000000000 208.980 > 31 48 Bi 0.66666666666667 0.71418931838067 0.62500000000000 208.980 > 31 49 S 0.16666666666667 0.41935126335723 0.37500000000000 32.065 > 49 50 S 0.50000000000000 0.41935126335723 0.37500000000000 32.065 > 49 51 S 0.83333333333333 0.41935126335723 0.37500000000000 32.065 > 49 52 S 0.16666666666667 0.41935126335723 0.87500000000000 32.065 > 49 53 S 0.50000000000000 0.41935126335723 0.87500000000000 32.065 > 49 54 S 0.83333333333333 0.41935126335723 0.87500000000000 32.065 > 49 55 S 0.00000000000000 0.08064873664276 0.12500000000000 32.065 > 55 56 S 0.33333333333333 0.08064873664276 0.12500000000000 32.065 > 55 57 S 0.66666666666667 0.08064873664276 0.12500000000000 32.065 > 55 58 S 0.00000000000000 0.08064873664276 0.62500000000000 32.065 > 55 59 S 0.33333333333333 0.08064873664276 0.62500000000000 32.065 > 55 60 S 0.66666666666667 0.08064873664276 0.62500000000000 32.065 > 55 61 S 0.00000000000000 0.91935126335724 0.37500000000000 32.065 > 49 62 S 0.33333333333333 0.91935126335724 0.37500000000000 32.065 > 49 63 S 0.66666666666667 0.91935126335724 0.37500000000000 32.065 > 49 64 S 0.00000000000000 0.91935126335724 0.87500000000000 32.065 > 49 65 S 0.33333333333333 0.91935126335724 0.87500000000000 32.065 > 49 66 S 0.66666666666667 0.91935126335724 0.87500000000000 32.065 > 49 67 S 0.16666666666667 0.58064873664276 0.12500000000000 32.065 > 55 68 S 0.50000000000000 0.58064873664276 0.12500000000000 32.065 > 55 69 S 0.83333333333333 0.58064873664276 0.12500000000000 32.065 > 55 70 S 0.16666666666667 0.58064873664276 0.62500000000000 32.065 > 55 71 S 0.50000000000000 0.58064873664276 0.62500000000000 32.065 > 55 72 S 0.83333333333333 0.58064873664276 0.62500000000000 32.065 > 55 73 Cl 0.16666666666667 0.15756150391217 0.28182506432855 35.453 > 73 74 Cl 0.50000000000000 0.15756150391217 0.28182506432855 35.453 > 73 75 Cl 0.83333333333333 0.15756150391217 0.28182506432855 35.453 > 73 76 Cl 0.16666666666667 0.15756150391217 0.78182506432855 35.453 > 73 77 Cl 0.50000000000000 0.15756150391217 0.78182506432855 35.453 > 73 78 Cl 0.83333333333333 0.15756150391217 0.78182506432855 35.453 > 73 79 Cl 0.00000000000000 0.34243849608783 0.21817493567145 35.453 > 79 80 Cl 0.33333333333333 0.34243849608783 0.21817493567145 35.453 > 79 81 Cl 0.66666666666667 0.34243849608783 0.21817493567145 35.453 > 79 82 Cl 0.00000000000000 0.34243849608783 0.71817493567145 35.453 > 79 83 Cl 0.33333333333333 0.34243849608783 0.71817493567145 35.453 > 79 84 Cl 0.66666666666667 0.34243849608783 0.71817493567145 35.453 > 79 85 Cl 0.00000000000000 0.34243849608783 0.03182506432855 35.453 > 85 86 Cl 0.33333333333333 0.34243849608783 0.03182506432855 35.453 > 85 87 Cl 0.66666666666667 0.34243849608783 0.03182506432855 35.453 > 85 88 Cl 0.00000000000000 0.34243849608783 0.53182506432855 35.453 > 85 89 Cl 0.33333333333333 0.34243849608783 0.53182506432855 35.453 > 85 90 Cl 0.66666666666667 0.34243849608783 0.53182506432855 35.453 > 85 91 Cl 0.16666666666667 0.15756150391217 0.46817493567145 35.453 > 91 92 Cl 0.50000000000000 0.15756150391217 0.46817493567145 35.453 > 91 93 Cl 0.83333333333333 0.15756150391217 0.46817493567145 35.453 > 91 94 Cl 0.16666666666667 0.15756150391217 0.96817493567145 35.453 > 91 95 Cl 0.50000000000000 0.15756150391217 0.96817493567145 35.453 > 91 96 Cl 0.83333333333333 0.15756150391217 0.96817493567145 35.453 > 91 97 Cl 0.00000000000000 0.65756150391217 0.28182506432855 35.453 > 73 98 Cl 0.33333333333333 0.65756150391217 0.28182506432855 35.453 > 73 99 Cl 0.66666666666667 0.65756150391217 0.28182506432855 35.453 > 73 100 Cl 0.00000000000000 0.65756150391217 0.78182506432855 35.453 > 73 101 Cl 0.33333333333333 0.65756150391217 0.78182506432855 35.453 > 73 102 Cl 0.66666666666667 0.65756150391217 0.78182506432855 35.453 > 73 103 Cl 0.16666666666667 0.84243849608783 0.21817493567145 35.453 > 79 104 Cl 0.50000000000000 0.84243849608783 0.21817493567145 35.453 > 79 105 Cl 0.83333333333333 0.84243849608783 0.21817493567145 35.453 > 79 106 Cl 0.16666666666667 0.84243849608783 0.71817493567145 35.453 > 79 107 Cl 0.50000000000000 0.84243849608783 0.71817493567145 35.453 > 79 108 Cl 0.83333333333333 0.84243849608783 0.71817493567145 35.453 > 79 109 Cl 0.16666666666667 0.84243849608783 0.03182506432855 35.453 > 85 110 Cl 0.50000000000000 0.84243849608783 0.03182506432855 35.453 > 85 111 Cl 0.83333333333333 0.84243849608783 0.03182506432855 35.453 > 85 112 Cl 0.16666666666667 0.84243849608783 0.53182506432855 35.453 > 85 113 Cl 0.50000000000000 0.84243849608783 0.53182506432855 35.453 > 85 114 Cl 0.83333333333333 0.84243849608783 0.53182506432855 35.453 > 85 115 Cl 0.00000000000000 0.65756150391217 0.46817493567145 35.453 > 91 116 Cl 0.33333333333333 0.65756150391217 0.46817493567145 35.453 > 91 117 Cl 0.66666666666667 0.65756150391217 0.46817493567145 35.453 > 91 118 Cl 0.00000000000000 0.65756150391217 0.96817493567145 35.453 > 91 119 Cl 0.33333333333333 0.65756150391217 0.96817493567145 35.453 > 91 120 Cl 0.66666666666667 0.65756150391217 0.96817493567145 35.453 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.5551197 0.0000000 0.0000000 0.0000000 6.8976329 0.0000000 0.0000000 0.0000000 8.1916319 -------------------------- Born effective charges -------------------------- 1 Ag 1.0796924 0.0000000 0.0000000 0.0000000 1.3858528 0.1830420 0.0000000 -0.1797363 0.8039888 2 Ag 1.0796924 0.0000000 0.0000000 0.0000000 1.3858528 -0.1830420 0.0000000 0.1797363 0.8039888 3 Bi 5.9730183 0.0000000 0.0000000 0.0000000 3.0249285 0.0000000 0.0000000 0.0000000 5.5862316 4 Bi 5.9730183 0.0000000 0.0000000 0.0000000 3.0249285 0.0000000 0.0000000 0.0000000 5.5862316 5 S -3.2598570 0.0000000 0.0000000 0.0000000 -1.4214367 0.0000000 0.0000000 0.0000000 -0.3861728 6 S -3.2598570 0.0000000 0.0000000 0.0000000 -1.4214367 0.0000000 0.0000000 0.0000000 -0.3861728 7 Cl -1.8964268 0.0000000 0.0000000 0.0000000 -1.4946723 -0.4355235 0.0000000 -0.2801952 -3.0020238 8 Cl -1.8964268 0.0000000 0.0000000 0.0000000 -1.4946723 -0.4355235 0.0000000 -0.2801952 -3.0020238 9 Cl -1.8964268 0.0000000 0.0000000 0.0000000 -1.4946723 0.4355235 0.0000000 0.2801952 -3.0020238 10 Cl -1.8964268 0.0000000 0.0000000 0.0000000 -1.4946723 0.4355235 0.0000000 0.2801952 -3.0020238 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zyz) -0.00000000 (zyz) -0.00000000 (zzy) 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 ... [ 13 13 6 ] 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: 0.68, Number of G-points: 301, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/196) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 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 0.927 ( 0.000 0.000 0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.012 ( 0.000 0.000 0.000) 0.000 1.054 ( 0.000 0.000 0.000) 0.000 1.541 ( 0.000 0.000 0.000) 0.000 2.027 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 3.219 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.655 ( 0.000 0.000 0.000) 0.000 6.902 ( 0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 8.530 ( 0.000 0.000 0.000) 0.000 8.964 ( 0.000 0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 9.743 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/196) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 14.685 -5.609 0.000) 15.720 0.361 ( 18.656 1.259 0.000) 18.698 0.625 ( 26.071 -10.363 0.000) 28.055 0.918 ( -0.772 0.899 0.000) 1.185 0.990 ( -0.955 -0.567 0.000) 1.111 1.079 ( 7.768 0.107 0.000) 7.769 1.179 ( 10.106 -1.152 0.000) 10.171 1.588 ( 4.677 -0.370 0.000) 4.692 2.037 ( 1.725 2.643 0.000) 3.156 2.062 ( -0.331 0.270 0.000) 0.427 2.728 ( -0.390 -1.900 0.000) 1.940 2.816 ( 4.423 -0.099 0.000) 4.424 3.159 ( -5.017 0.157 0.000) 5.020 3.427 ( -0.436 1.183 0.000) 1.260 3.850 ( -4.029 10.581 0.000) 11.322 3.891 ( 8.865 -1.389 0.000) 8.973 4.329 ( 8.636 15.353 0.000) 17.615 4.387 ( 1.455 0.046 0.000) 1.456 4.475 ( 1.188 4.743 0.000) 4.889 4.543 ( 0.166 -1.312 0.000) 1.323 4.727 ( -3.954 -13.528 0.000) 14.094 4.945 ( -2.125 0.251 0.000) 2.140 6.351 ( 0.162 0.066 0.000) 0.175 6.382 ( -17.673 -0.226 0.000) 17.675 7.163 ( 16.207 3.087 0.000) 16.498 7.937 ( 6.142 23.905 0.000) 24.681 8.498 ( -3.522 -0.894 0.000) 3.634 8.944 ( -7.429 -8.250 0.000) 11.102 8.974 ( -0.388 0.004 0.000) 0.388 9.741 ( -0.140 -0.016 0.000) 0.141 ======================= Grid point 2 (3/196) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 12.544 -3.194 0.000) 12.944 0.683 ( 15.720 4.885 0.000) 16.462 0.889 ( -1.067 1.763 0.000) 2.060 0.976 ( -1.224 -2.481 0.000) 2.766 1.013 ( 8.866 -7.593 0.000) 11.673 1.351 ( 6.223 -0.898 0.000) 6.288 1.388 ( 21.424 -2.763 0.000) 21.602 1.765 ( 13.643 1.445 0.000) 13.719 2.046 ( -0.640 0.742 0.000) 0.980 2.058 ( 2.568 4.943 0.000) 5.571 2.728 ( -1.658 -3.708 0.000) 4.062 2.935 ( 7.482 0.193 0.000) 7.484 3.068 ( -3.469 -0.159 0.000) 3.472 3.418 ( 0.155 0.349 0.000) 0.382 3.684 ( -9.079 2.396 0.000) 9.390 4.089 ( 10.161 -0.227 0.000) 10.163 4.331 ( 1.116 15.202 0.000) 15.243 4.420 ( 2.031 1.018 0.000) 2.272 4.497 ( -2.730 -0.070 0.000) 2.731 4.555 ( 4.459 -0.906 0.000) 4.551 4.755 ( 0.867 -6.019 0.000) 6.081 4.885 ( -3.763 0.485 0.000) 3.794 6.083 ( -12.636 -0.974 0.000) 12.673 6.357 ( 0.454 -0.006 0.000) 0.454 7.413 ( 11.733 5.647 0.000) 13.022 7.906 ( -0.169 7.402 0.000) 7.404 8.407 ( -6.325 -0.914 0.000) 6.390 8.810 ( -9.434 -3.000 0.000) 9.900 8.963 ( -0.669 -0.041 0.000) 0.671 9.738 ( -0.227 -0.040 0.000) 0.230 ======================= Grid point 3 (4/196) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 3.561 3.793 0.000) 5.202 0.889 ( 1.458 0.146 0.000) 1.465 0.901 ( 10.197 6.396 0.000) 12.037 1.006 ( 4.241 -7.098 0.000) 8.268 1.161 ( 3.591 -4.598 0.000) 5.834 1.447 ( 4.753 0.898 0.000) 4.837 1.725 ( 6.759 -1.291 0.000) 6.881 2.018 ( 11.286 2.446 0.000) 11.548 2.073 ( 2.211 6.336 0.000) 6.711 2.118 ( 11.976 -1.575 0.000) 12.079 2.685 ( -5.122 -2.688 0.000) 5.784 3.029 ( 1.096 -1.619 0.000) 1.955 3.104 ( 6.848 -0.979 0.000) 6.918 3.444 ( 3.323 0.049 0.000) 3.323 3.480 ( -9.664 3.598 0.000) 10.312 4.235 ( -3.095 11.393 0.000) 11.806 4.258 ( 6.954 0.928 0.000) 7.016 4.414 ( -4.857 -1.061 0.000) 4.971 4.446 ( 1.723 3.175 0.000) 3.613 4.649 ( 4.504 2.509 0.000) 5.156 4.802 ( -4.160 0.837 0.000) 4.244 4.804 ( 0.962 -2.949 0.000) 3.102 5.922 ( -4.915 -2.528 0.000) 5.527 6.367 ( 0.477 -0.113 0.000) 0.490 7.548 ( 6.075 7.233 0.000) 9.445 7.848 ( -3.230 0.665 0.000) 3.298 8.267 ( -8.261 0.406 0.000) 8.271 8.632 ( -9.693 -1.365 0.000) 9.788 8.949 ( -0.765 -0.140 0.000) 0.778 9.734 ( -0.240 -0.066 0.000) 0.249 ======================= Grid point 4 (5/196) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.869 2.557 0.000) 2.701 0.876 ( -1.778 0.379 0.000) 1.818 1.012 ( 5.006 5.882 0.000) 7.724 1.209 ( -0.352 -1.879 0.000) 1.912 1.215 ( 11.081 -6.387 0.000) 12.790 1.525 ( 3.749 2.660 0.000) 4.597 1.714 ( -3.632 0.188 0.000) 3.637 2.072 ( 1.316 6.005 0.000) 6.148 2.188 ( 6.706 3.225 0.000) 7.441 2.411 ( 14.113 -1.444 0.000) 14.187 2.559 ( -8.338 0.567 0.000) 8.357 3.072 ( 0.841 -4.663 0.000) 4.738 3.228 ( 5.519 -0.666 0.000) 5.559 3.303 ( -4.912 5.910 0.000) 7.685 3.564 ( 8.681 -0.368 0.000) 8.689 4.072 ( -7.868 8.865 0.000) 11.853 4.326 ( 0.061 0.561 0.000) 0.564 4.349 ( -2.161 -1.481 0.000) 2.620 4.452 ( 1.833 5.839 0.000) 6.120 4.691 ( 1.602 3.274 0.000) 3.645 4.726 ( -2.717 1.508 0.000) 3.107 4.811 ( -1.175 0.051 0.000) 1.176 5.913 ( 1.743 -3.731 0.000) 4.118 6.371 ( -0.321 -0.100 0.000) 0.336 7.579 ( 1.662 6.010 0.000) 6.236 7.781 ( -4.036 -1.765 0.000) 4.405 8.089 ( -8.989 2.361 0.000) 9.294 8.469 ( -7.488 -1.069 0.000) 7.564 8.936 ( -0.663 -0.229 0.000) 0.702 9.730 ( -0.196 -0.078 0.000) 0.211 ======================= Grid point 5 (6/196) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.058 1.319 0.000) 1.320 0.841 ( -1.119 -0.083 0.000) 1.122 1.027 ( -0.047 5.913 0.000) 5.913 1.186 ( -1.998 -0.683 0.000) 2.111 1.480 ( 12.618 -5.248 0.000) 13.665 1.552 ( 1.415 2.929 0.000) 3.253 1.663 ( -1.784 -0.882 0.000) 1.990 2.058 ( 0.028 3.728 0.000) 3.728 2.230 ( 0.160 3.348 0.000) 3.352 2.367 ( -9.952 3.313 0.000) 10.489 2.638 ( 9.213 1.184 0.000) 9.289 3.094 ( -0.773 -2.934 0.000) 3.034 3.248 ( 2.717 5.613 0.000) 6.236 3.340 ( 5.062 -2.398 0.000) 5.601 3.756 ( 10.200 -0.604 0.000) 10.217 3.838 ( -11.686 5.085 0.000) 12.745 4.261 ( -5.974 -0.083 0.000) 5.974 4.348 ( 0.848 -1.230 0.000) 1.494 4.456 ( 2.207 6.659 0.000) 7.015 4.678 ( -1.645 1.375 0.000) 2.143 4.684 ( -0.177 2.741 0.000) 2.747 4.764 ( -2.802 1.593 0.000) 3.223 6.008 ( 5.263 -3.569 0.000) 6.359 6.349 ( -2.033 0.165 0.000) 2.040 7.572 ( 0.861 3.032 0.000) 3.152 7.712 ( -4.036 -1.612 0.000) 4.346 7.910 ( -7.372 3.042 0.000) 7.975 8.359 ( -4.404 -0.817 0.000) 4.479 8.927 ( -0.428 -0.221 0.000) 0.482 9.727 ( -0.122 -0.065 0.000) 0.138 ======================= Grid point 6 (7/196) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -0.710 0.405 0.000) 0.818 0.840 ( 0.268 -0.084 0.000) 0.281 0.971 ( -1.621 3.088 0.000) 3.488 1.163 ( -0.590 -0.298 0.000) 0.661 1.573 ( 1.751 1.274 0.000) 2.166 1.635 ( -1.630 -0.781 0.000) 1.807 1.747 ( 11.353 -3.804 0.000) 11.973 2.007 ( -5.126 1.259 0.000) 5.279 2.177 ( -5.260 3.427 0.000) 6.278 2.195 ( -1.146 1.588 0.000) 1.959 2.758 ( 3.730 1.122 0.000) 3.895 3.089 ( -0.529 -0.857 0.000) 1.007 3.324 ( 6.496 2.883 0.000) 7.108 3.428 ( 2.234 -1.510 0.000) 2.696 3.595 ( -10.066 0.929 0.000) 10.108 3.949 ( 9.369 -0.205 0.000) 9.372 4.120 ( -8.257 -0.232 0.000) 8.260 4.376 ( 0.985 -0.606 0.000) 1.156 4.461 ( 1.182 3.416 0.000) 3.615 4.646 ( -0.978 0.250 0.000) 1.010 4.670 ( 0.149 0.934 0.000) 0.945 4.704 ( -2.095 1.092 0.000) 2.362 6.129 ( 4.468 -1.923 0.000) 4.864 6.294 ( -2.933 0.558 0.000) 2.985 7.586 ( 1.506 1.143 0.000) 1.890 7.651 ( -2.643 -1.055 0.000) 2.846 7.791 ( -3.043 1.486 0.000) 3.386 8.306 ( -1.449 -0.289 0.000) 1.478 8.922 ( -0.145 -0.091 0.000) 0.171 9.726 ( -0.040 -0.025 0.000) 0.048 ======================= Grid point 14 (8/196) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 14.214 0.000 0.000) 14.214 0.722 ( 16.632 0.000 0.000) 16.632 0.902 ( -1.105 -0.000 0.000) 1.105 0.959 ( 10.459 0.000 0.000) 10.459 0.959 ( -1.914 -0.000 0.000) 1.914 1.345 ( 6.573 0.000 0.000) 6.573 1.374 ( 21.316 0.000 0.000) 21.316 1.774 ( 13.410 0.000 0.000) 13.410 2.050 ( -0.681 -0.000 0.000) 0.681 2.088 ( 2.557 0.000 0.000) 2.557 2.705 ( -1.537 -0.000 0.000) 1.537 2.936 ( 7.718 0.000 0.000) 7.718 3.067 ( -4.024 -0.000 0.000) 4.024 3.420 ( -0.070 -0.000 0.000) 0.070 3.698 ( -9.755 -0.000 0.000) 9.755 4.088 ( 10.653 0.000 0.000) 10.653 4.426 ( 2.365 0.000 0.000) 2.365 4.456 ( -4.631 -0.000 0.000) 4.631 4.468 ( -2.929 -0.000 0.000) 2.929 4.557 ( 8.429 0.000 0.000) 8.429 4.706 ( 2.155 0.000 0.000) 2.155 4.888 ( -3.759 -0.000 0.000) 3.759 6.077 ( -12.886 -0.000 0.000) 12.886 6.357 ( 0.423 0.000 0.000) 0.423 7.445 ( 11.652 0.000 0.000) 11.652 7.954 ( -4.191 -0.000 0.000) 4.191 8.403 ( -5.959 -0.000 0.000) 5.959 8.789 ( -8.140 -0.000 0.000) 8.140 8.963 ( -0.687 -0.000 0.000) 0.687 9.738 ( -0.229 -0.000 0.000) 0.229 ======================= Grid point 15 (9/196) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 6.353 3.834 0.000) 7.420 0.890 ( 2.763 0.088 0.000) 2.764 0.935 ( 0.646 -4.993 0.000) 5.035 0.968 ( 9.813 4.356 0.000) 10.737 1.109 ( 4.908 -3.664 0.000) 6.125 1.454 ( 5.450 0.328 0.000) 5.460 1.715 ( 8.415 -0.428 0.000) 8.426 2.039 ( 12.487 1.138 0.000) 12.539 2.103 ( 9.855 -0.872 0.000) 9.893 2.125 ( 1.844 2.494 0.000) 3.102 2.661 ( -3.781 -1.276 0.000) 3.991 3.016 ( -1.023 -0.527 0.000) 1.150 3.096 ( 7.832 -0.349 0.000) 7.840 3.445 ( 3.207 0.018 0.000) 3.207 3.509 ( -8.993 1.327 0.000) 9.090 4.266 ( 7.017 0.324 0.000) 7.024 4.339 ( -4.942 6.811 0.000) 8.415 4.393 ( -5.495 -2.943 0.000) 6.233 4.471 ( 2.451 1.150 0.000) 2.707 4.686 ( 5.459 3.469 0.000) 6.467 4.762 ( 2.021 -3.740 0.000) 4.251 4.808 ( -4.045 0.292 0.000) 4.056 5.902 ( -5.269 -0.885 0.000) 5.342 6.366 ( 0.458 -0.043 0.000) 0.460 7.608 ( 5.909 2.859 0.000) 6.565 7.852 ( -5.700 0.080 0.000) 5.701 8.272 ( -7.501 0.285 0.000) 7.506 8.620 ( -9.204 -0.636 0.000) 9.226 8.948 ( -0.796 -0.052 0.000) 0.797 9.733 ( -0.241 -0.023 0.000) 0.242 ======================= Grid point 16 (10/196) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -0.281 2.512 0.000) 2.528 0.877 ( -2.094 -0.257 0.000) 2.110 1.072 ( 4.122 4.358 0.000) 5.999 1.154 ( 12.625 -4.005 0.000) 13.245 1.184 ( 0.880 -2.298 0.000) 2.461 1.549 ( 4.235 1.482 0.000) 4.487 1.716 ( -3.970 0.166 0.000) 3.974 2.127 ( 0.097 3.494 0.000) 3.495 2.219 ( 6.535 2.129 0.000) 6.873 2.395 ( 15.449 -1.295 0.000) 15.503 2.563 ( -6.794 0.157 0.000) 6.796 3.030 ( 1.050 -2.680 0.000) 2.878 3.223 ( 5.110 -0.224 0.000) 5.114 3.357 ( -4.667 3.409 0.000) 5.779 3.560 ( 8.478 -0.249 0.000) 8.482 4.156 ( -10.406 5.540 0.000) 11.789 4.331 ( -0.393 0.266 0.000) 0.474 4.333 ( -1.725 -1.374 0.000) 2.205 4.504 ( 2.254 3.172 0.000) 3.891 4.731 ( 1.569 3.693 0.000) 4.012 4.740 ( -2.541 0.860 0.000) 2.683 4.801 ( -0.131 -1.815 0.000) 1.820 5.880 ( 1.771 -2.055 0.000) 2.713 6.370 ( -0.255 -0.056 0.000) 0.261 7.643 ( 0.348 4.988 0.000) 5.000 7.755 ( -4.670 -2.652 0.000) 5.370 8.111 ( -8.404 1.446 0.000) 8.528 8.459 ( -7.353 -0.674 0.000) 7.384 8.934 ( -0.672 -0.134 0.000) 0.685 9.729 ( -0.189 -0.043 0.000) 0.194 ======================= Grid point 17 (11/196) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -0.518 1.116 0.000) 1.230 0.840 ( -1.273 -0.131 0.000) 1.280 1.087 ( -0.359 4.452 0.000) 4.467 1.176 ( -1.940 -1.092 0.000) 2.226 1.429 ( 13.532 -3.490 0.000) 13.975 1.583 ( 0.769 2.392 0.000) 2.513 1.653 ( -2.058 -0.851 0.000) 2.227 2.093 ( -1.851 2.382 0.000) 3.017 2.262 ( -0.432 2.206 0.000) 2.248 2.399 ( -9.099 2.297 0.000) 9.384 2.648 ( 9.962 0.523 0.000) 9.976 3.067 ( 1.089 -1.767 0.000) 2.076 3.307 ( 1.922 4.483 0.000) 4.878 3.316 ( 4.266 -1.808 0.000) 4.633 3.750 ( 10.322 -0.385 0.000) 10.330 3.886 ( -14.355 3.275 0.000) 14.724 4.260 ( -6.192 -0.095 0.000) 6.193 4.336 ( 1.136 -0.794 0.000) 1.386 4.522 ( 1.777 4.724 0.000) 5.048 4.690 ( -2.494 0.734 0.000) 2.600 4.715 ( -0.969 2.685 0.000) 2.855 4.776 ( -2.587 0.407 0.000) 2.619 5.974 ( 5.980 -2.412 0.000) 6.448 6.351 ( -1.876 0.083 0.000) 1.878 7.606 ( -0.719 2.821 0.000) 2.911 7.691 ( -3.712 -1.954 0.000) 4.194 7.941 ( -7.686 2.252 0.000) 8.009 8.351 ( -4.139 -0.616 0.000) 4.185 8.925 ( -0.381 -0.162 0.000) 0.414 9.726 ( -0.105 -0.045 0.000) 0.114 ======================= Grid point 18 (12/196) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -1.039 0.567 0.000) 1.183 0.838 ( 0.230 -0.258 0.000) 0.345 1.007 ( -4.328 3.054 0.000) 5.297 1.159 ( -0.228 -0.423 0.000) 0.481 1.586 ( 0.338 0.926 0.000) 0.986 1.629 ( -0.715 -0.240 0.000) 0.754 1.710 ( 13.106 -2.717 0.000) 13.385 2.021 ( -5.051 1.110 0.000) 5.171 2.208 ( -8.155 2.010 0.000) 8.399 2.211 ( -2.818 1.052 0.000) 3.008 2.767 ( 2.566 0.478 0.000) 2.610 3.090 ( 1.209 0.905 0.000) 1.511 3.363 ( 4.972 3.772 0.000) 6.241 3.403 ( 2.849 -2.778 0.000) 3.979 3.598 ( -12.651 -0.357 0.000) 12.656 3.947 ( 9.679 -0.115 0.000) 9.679 4.117 ( -8.204 -0.273 0.000) 8.208 4.370 ( 1.498 -0.515 0.000) 1.583 4.505 ( -1.481 4.138 0.000) 4.395 4.643 ( -1.773 -0.871 0.000) 1.976 4.681 ( -1.045 1.001 0.000) 1.447 4.714 ( -2.943 0.673 0.000) 3.019 6.110 ( 6.140 -1.257 0.000) 6.268 6.298 ( -3.126 0.233 0.000) 3.135 7.597 ( 0.303 0.838 0.000) 0.891 7.638 ( -1.916 -1.114 0.000) 2.217 7.809 ( -4.304 1.522 0.000) 4.565 8.303 ( -1.114 -0.228 0.000) 1.137 8.921 ( -0.048 -0.077 0.000) 0.091 9.725 ( -0.014 -0.021 0.000) 0.025 ======================= Grid point 19 (13/196) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.205 -0.185 0.000) 0.277 0.840 ( -0.155 -0.068 0.000) 0.169 0.939 ( -1.721 -2.392 0.000) 2.947 1.166 ( 0.870 0.208 0.000) 0.895 1.558 ( -2.739 -1.203 0.000) 2.991 1.646 ( 2.047 1.128 0.000) 2.337 1.796 ( -9.061 4.622 0.000) 10.172 1.994 ( 5.141 -1.115 0.000) 5.260 2.130 ( 1.959 -4.678 0.000) 5.072 2.176 ( -0.675 -1.804 0.000) 1.926 2.742 ( -5.076 -1.726 0.000) 5.362 3.109 ( 1.933 2.652 0.000) 3.281 3.300 ( -8.662 -1.404 0.000) 8.775 3.435 ( -0.960 -0.423 0.000) 1.049 3.579 ( 7.968 -1.830 0.000) 8.175 3.952 ( -8.960 0.169 0.000) 8.962 4.122 ( 8.318 0.169 0.000) 8.320 4.383 ( -0.281 0.574 0.000) 0.639 4.429 ( -4.693 -2.095 0.000) 5.139 4.638 ( 0.403 -0.985 0.000) 1.065 4.660 ( -1.238 -0.636 0.000) 1.392 4.690 ( 0.967 -1.289 0.000) 1.612 6.154 ( -2.742 2.479 0.000) 3.697 6.285 ( 2.790 -1.073 0.000) 2.990 7.572 ( -2.318 -1.244 0.000) 2.631 7.661 ( 3.070 0.564 0.000) 3.121 7.777 ( 1.562 -0.870 0.000) 1.788 8.310 ( 1.781 0.285 0.000) 1.804 8.923 ( 0.245 0.084 0.000) 0.259 9.726 ( 0.070 0.024 0.000) 0.074 ======================= Grid point 20 (14/196) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -0.412 -1.198 0.000) 1.267 0.842 ( 0.774 0.035 0.000) 0.775 0.954 ( -0.766 -6.855 0.000) 6.898 1.192 ( 2.040 0.467 0.000) 2.093 1.518 ( -2.336 -3.008 0.000) 3.809 1.547 ( -11.650 6.453 0.000) 13.318 1.674 ( 1.508 1.087 0.000) 1.860 2.009 ( -2.370 -4.859 0.000) 5.406 2.188 ( -0.765 -3.917 0.000) 3.991 2.327 ( 11.296 -3.580 0.000) 11.850 2.620 ( -8.266 -1.951 0.000) 8.493 3.132 ( 2.021 3.662 0.000) 4.182 3.186 ( -4.059 -5.011 0.000) 6.449 3.368 ( -4.894 2.470 0.000) 5.482 3.764 ( -10.142 0.734 0.000) 10.168 3.774 ( 8.837 -5.902 0.000) 10.627 4.261 ( 5.717 -0.001 0.000) 5.717 4.364 ( -0.547 1.515 0.000) 1.611 4.375 ( -3.496 -7.382 0.000) 8.168 4.655 ( -0.325 -2.187 0.000) 2.211 4.660 ( 1.082 -1.684 0.000) 2.002 4.741 ( 2.621 -2.473 0.000) 3.603 6.053 ( -4.468 4.107 0.000) 6.069 6.347 ( 2.299 -0.333 0.000) 2.323 7.538 ( -2.339 -2.930 0.000) 3.749 7.727 ( 3.994 0.999 0.000) 4.117 7.875 ( 7.023 -2.905 0.000) 7.600 8.369 ( 4.673 0.810 0.000) 4.742 8.930 ( 0.481 0.225 0.000) 0.531 9.728 ( 0.144 0.071 0.000) 0.161 ======================= Grid point 21 (15/196) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -1.438 -1.714 0.000) 2.238 0.869 ( 1.371 -0.838 0.000) 1.607 0.941 ( -5.021 -6.562 0.000) 8.263 1.226 ( 1.241 1.121 0.000) 1.672 1.295 ( -9.930 7.550 0.000) 12.475 1.490 ( -3.119 -3.394 0.000) 4.609 1.713 ( 3.243 0.045 0.000) 3.243 1.994 ( -2.644 -7.409 0.000) 7.866 2.148 ( -6.361 -3.670 0.000) 7.344 2.425 ( -12.776 0.913 0.000) 12.809 2.550 ( 10.037 -0.961 0.000) 10.083 3.129 ( -0.423 4.899 0.000) 4.917 3.228 ( 5.110 -6.858 0.000) 8.552 3.242 ( -6.149 2.107 0.000) 6.500 3.567 ( -9.062 0.208 0.000) 9.065 3.962 ( 5.338 -10.210 0.000) 11.521 4.317 ( -1.155 -1.298 0.000) 1.737 4.366 ( 1.952 1.399 0.000) 2.402 4.376 ( -0.657 -7.082 0.000) 7.113 4.659 ( -1.038 -2.326 0.000) 2.547 4.707 ( 2.948 -1.786 0.000) 3.447 4.800 ( 1.869 -1.798 0.000) 2.593 5.962 ( -1.673 4.717 0.000) 5.004 6.372 ( 0.415 0.091 0.000) 0.425 7.509 ( -3.577 -6.088 0.000) 7.061 7.795 ( 3.260 0.658 0.000) 3.325 8.061 ( 9.962 -2.457 0.000) 10.260 8.482 ( 7.578 1.120 0.000) 7.660 8.939 ( 0.650 0.262 0.000) 0.701 9.731 ( 0.205 0.098 0.000) 0.227 ======================= Grid point 22 (16/196) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -2.091 -2.279 0.000) 3.093 0.834 ( -9.212 -4.993 0.000) 10.478 0.885 ( -0.640 -0.543 0.000) 0.839 1.092 ( -5.702 7.877 0.000) 9.725 1.206 ( -2.421 3.141 0.000) 3.966 1.434 ( -3.572 -1.347 0.000) 3.818 1.744 ( -3.694 2.014 0.000) 4.208 1.987 ( -10.855 -2.972 0.000) 11.255 1.989 ( -2.670 -8.289 0.000) 8.708 2.136 ( -13.926 1.412 0.000) 13.997 2.715 ( 7.170 2.457 0.000) 7.579 3.052 ( -4.581 2.419 0.000) 5.180 3.118 ( -5.493 1.591 0.000) 5.719 3.431 ( 10.969 -4.828 0.000) 11.985 3.444 ( -3.422 -0.084 0.000) 3.423 4.088 ( 0.617 -13.833 0.000) 13.847 4.245 ( -6.588 -1.391 0.000) 6.734 4.402 ( -0.526 -4.464 0.000) 4.495 4.421 ( 3.881 0.234 0.000) 3.888 4.631 ( -2.825 -0.762 0.000) 2.926 4.790 ( 4.348 -1.235 0.000) 4.520 4.824 ( 0.167 0.529 0.000) 0.555 5.958 ( 4.314 3.792 0.000) 5.744 6.369 ( -0.519 0.138 0.000) 0.538 7.453 ( -7.218 -9.148 0.000) 11.652 7.836 ( 0.537 -1.439 0.000) 1.536 8.264 ( 9.792 -0.003 0.000) 9.792 8.647 ( 10.035 1.266 0.000) 10.115 8.951 ( 0.713 0.188 0.000) 0.738 9.735 ( 0.238 0.096 0.000) 0.256 ======================= Grid point 23 (17/196) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -12.121 -1.093 0.000) 12.171 0.667 ( -8.067 4.415 0.000) 9.196 0.872 ( 0.256 -1.091 0.000) 1.121 1.010 ( -0.295 3.427 0.000) 3.440 1.096 ( -6.181 6.062 0.000) 8.658 1.362 ( -5.822 1.043 0.000) 5.915 1.442 ( -20.106 6.847 0.000) 21.240 1.743 ( -14.296 -2.435 0.000) 14.502 1.983 ( -2.578 -7.833 0.000) 8.247 2.034 ( 0.581 -1.435 0.000) 1.548 2.781 ( 1.915 5.314 0.000) 5.649 2.932 ( -6.960 -0.455 0.000) 6.974 3.070 ( 2.048 0.196 0.000) 2.057 3.413 ( -0.669 -0.434 0.000) 0.797 3.646 ( 6.752 -4.181 0.000) 7.942 4.094 ( -8.830 0.596 0.000) 8.850 4.144 ( -3.631 -16.590 0.000) 16.983 4.403 ( -1.112 -1.901 0.000) 2.203 4.486 ( 0.759 -1.504 0.000) 1.685 4.576 ( -0.858 2.354 0.000) 2.505 4.810 ( 0.193 3.324 0.000) 3.329 4.877 ( 3.782 -0.899 0.000) 3.887 6.099 ( 11.962 1.906 0.000) 12.113 6.357 ( -0.543 -0.014 0.000) 0.543 7.321 ( -12.229 -10.106 0.000) 15.864 7.815 ( -6.099 -7.667 0.000) 9.797 8.426 ( 7.449 2.365 0.000) 7.816 8.843 ( 10.846 2.414 0.000) 11.111 8.964 ( 0.621 0.070 0.000) 0.625 9.739 ( 0.219 0.072 0.000) 0.231 ======================= Grid point 24 (18/196) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -11.395 7.360 0.000) 13.566 0.436 ( -9.799 11.995 0.000) 15.489 0.797 ( -20.680 17.524 0.000) 27.107 0.900 ( 1.091 -1.966 0.000) 2.249 1.001 ( 0.262 1.107 0.000) 1.138 1.078 ( -8.351 -0.149 0.000) 8.353 1.200 ( -10.827 2.285 0.000) 11.066 1.593 ( -0.661 0.241 0.000) 0.704 1.982 ( -1.696 -6.602 0.000) 6.816 2.057 ( 0.785 -0.388 0.000) 0.875 2.763 ( -0.375 3.364 0.000) 3.384 2.820 ( -3.939 0.994 0.000) 4.063 3.156 ( 5.336 -0.474 0.000) 5.357 3.405 ( -1.143 -2.403 0.000) 2.661 3.623 ( -23.374 -24.940 0.000) 34.181 3.919 ( -7.253 3.379 0.000) 8.002 4.175 ( 1.223 -8.121 0.000) 8.212 4.386 ( -1.053 -0.151 0.000) 1.064 4.445 ( -4.027 -1.522 0.000) 4.306 4.573 ( -0.168 3.439 0.000) 3.444 4.841 ( 6.888 5.410 0.000) 8.759 4.940 ( 2.117 -0.708 0.000) 2.232 6.350 ( -0.121 -0.153 0.000) 0.195 6.387 ( 17.614 0.695 0.000) 17.628 7.093 ( -16.594 -8.834 0.000) 18.799 7.633 ( -24.540 -21.930 0.000) 32.911 8.522 ( 4.074 3.233 0.000) 5.201 8.973 ( 0.367 -0.012 0.000) 0.367 9.030 ( 10.826 4.961 0.000) 11.909 9.742 ( 0.136 0.044 0.000) 0.143 ======================= Grid point 25 (19/196) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.201 ( 0.000 17.162 0.000) 17.162 0.217 ( 0.000 18.819 0.000) 18.819 0.335 ( 0.000 29.107 0.000) 29.107 0.921 ( -0.000 -1.154 0.000) 1.154 1.001 ( 0.000 0.251 0.000) 0.251 1.010 ( -0.000 -0.225 0.000) 0.225 1.054 ( 0.000 0.056 0.000) 0.056 1.839 ( -0.000 -6.489 0.000) 6.489 1.997 ( -0.000 -4.885 0.000) 4.885 2.092 ( 0.000 3.762 0.000) 3.762 2.597 ( 0.000 4.366 0.000) 4.366 2.744 ( 0.000 2.271 0.000) 2.271 2.775 ( 0.000 0.973 0.000) 0.973 3.222 ( 0.000 0.538 0.000) 0.538 3.409 ( -0.000 -4.528 0.000) 4.528 3.814 ( 0.000 4.539 0.000) 4.539 4.268 ( 0.000 0.654 0.000) 0.654 4.372 ( -0.000 -2.820 0.000) 2.820 4.374 ( 0.000 0.262 0.000) 0.262 4.533 ( 0.000 4.520 0.000) 4.520 4.964 ( -0.000 -0.499 0.000) 0.499 5.008 ( -0.000 -2.819 0.000) 2.819 6.349 ( -0.000 -0.119 0.000) 0.119 6.654 ( -0.000 -0.161 0.000) 0.161 6.902 ( -0.000 -0.022 0.000) 0.022 7.007 ( -0.000 -1.423 0.000) 1.423 8.545 ( 0.000 2.591 0.000) 2.591 8.977 ( -0.000 -0.027 0.000) 0.027 9.192 ( -0.000 -0.911 0.000) 0.911 9.743 ( 0.000 0.026 0.000) 0.026 ======================= Grid point 28 (20/196) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -1.039 -0.000 0.000) 1.039 0.873 ( -2.231 -0.000 0.000) 2.231 1.101 ( 3.327 0.000 0.000) 3.327 1.130 ( 13.539 0.000 0.000) 13.539 1.166 ( 1.769 0.000 0.000) 1.769 1.558 ( 4.420 0.000 0.000) 4.420 1.717 ( -4.117 -0.000 0.000) 4.117 2.147 ( -0.433 -0.000 0.000) 0.433 2.232 ( 6.245 0.000 0.000) 6.245 2.386 ( 16.156 0.000 0.000) 16.156 2.563 ( -6.122 -0.000 0.000) 6.122 3.014 ( 1.082 0.000 0.000) 1.082 3.222 ( 4.985 0.000 0.000) 4.985 3.377 ( -4.558 -0.000 0.000) 4.558 3.558 ( 8.412 0.000 0.000) 8.412 4.190 ( -11.931 -0.000 0.000) 11.931 4.323 ( -0.989 -0.000 0.000) 0.989 4.333 ( -0.537 -0.000 0.000) 0.537 4.522 ( 2.370 0.000 0.000) 2.370 4.745 ( -2.474 -0.000 0.000) 2.474 4.770 ( -0.059 -0.000 0.000) 0.059 4.773 ( 1.882 0.000 0.000) 1.882 5.868 ( 1.777 0.000 0.000) 1.777 6.370 ( -0.230 -0.000 0.000) 0.230 7.680 ( 0.828 0.000 0.000) 0.828 7.732 ( -5.858 -0.000 0.000) 5.858 8.120 ( -8.224 -0.000 0.000) 8.224 8.455 ( -7.285 -0.000 0.000) 7.285 8.933 ( -0.675 -0.000 0.000) 0.675 9.729 ( -0.187 -0.000 0.000) 0.187 ======================= Grid point 29 (21/196) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -1.326 0.592 0.000) 1.452 0.838 ( -0.960 -0.209 0.000) 0.982 1.128 ( 0.009 2.729 0.000) 2.729 1.160 ( -2.330 -1.575 0.000) 2.812 1.402 ( 14.119 -1.234 0.000) 14.173 1.605 ( 0.660 1.181 0.000) 1.353 1.644 ( -2.440 -0.612 0.000) 2.516 2.111 ( -2.889 0.825 0.000) 3.004 2.279 ( -0.838 0.764 0.000) 1.134 2.417 ( -8.748 0.815 0.000) 8.786 2.651 ( 10.412 0.134 0.000) 10.413 3.053 ( 2.506 -0.568 0.000) 2.570 3.301 ( 3.468 -0.684 0.000) 3.535 3.344 ( 1.630 1.719 0.000) 2.369 3.747 ( 10.419 -0.131 0.000) 10.420 3.912 ( -16.023 1.105 0.000) 16.061 4.259 ( -6.319 -0.041 0.000) 6.319 4.330 ( 1.329 -0.275 0.000) 1.357 4.560 ( 1.938 1.758 0.000) 2.617 4.695 ( -3.306 0.170 0.000) 3.310 4.741 ( -1.975 1.512 0.000) 2.487 4.775 ( -1.926 -0.386 0.000) 1.965 5.955 ( 6.404 -0.851 0.000) 6.460 6.351 ( -1.805 0.028 0.000) 1.805 7.635 ( -2.290 2.188 0.000) 3.168 7.668 ( -2.854 -1.896 0.000) 3.427 7.959 ( -7.870 0.825 0.000) 7.913 8.346 ( -3.970 -0.230 0.000) 3.977 8.923 ( -0.353 -0.059 0.000) 0.358 9.726 ( -0.095 -0.016 0.000) 0.097 ======================= Grid point 30 (22/196) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -1.198 0.491 0.000) 1.294 0.835 ( 0.126 -0.299 0.000) 0.325 1.037 ( -6.211 2.022 0.000) 6.531 1.154 ( 0.294 -0.424 0.000) 0.516 1.593 ( -1.218 0.379 0.000) 1.276 1.629 ( 0.542 0.112 0.000) 0.553 1.686 ( 14.224 -1.421 0.000) 14.295 2.031 ( -4.919 0.661 0.000) 4.964 2.219 ( -3.981 0.474 0.000) 4.009 2.224 ( -10.202 0.846 0.000) 10.237 2.771 ( 1.759 0.139 0.000) 1.764 3.105 ( 2.832 1.414 0.000) 3.166 3.371 ( 2.766 -2.409 0.000) 3.668 3.404 ( 4.856 3.038 0.000) 5.727 3.589 ( -15.484 -1.034 0.000) 15.519 3.947 ( 9.879 -0.027 0.000) 9.879 4.114 ( -8.194 -0.192 0.000) 8.197 4.365 ( 1.786 -0.300 0.000) 1.811 4.552 ( -3.126 4.034 0.000) 5.104 4.626 ( -2.354 -2.124 0.000) 3.170 4.691 ( -2.048 0.707 0.000) 2.167 4.719 ( -3.375 0.237 0.000) 3.384 6.100 ( 7.372 -0.605 0.000) 7.397 6.300 ( -3.319 0.073 0.000) 3.320 7.604 ( -1.466 0.481 0.000) 1.543 7.627 ( -0.572 -0.742 0.000) 0.937 7.823 ( -5.098 0.941 0.000) 5.184 8.301 ( -0.862 -0.124 0.000) 0.871 8.921 ( 0.023 -0.044 0.000) 0.050 9.725 ( 0.005 -0.012 0.000) 0.013 ======================= Grid point 31 (23/196) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -0.364 -0.030 0.000) 0.366 0.839 ( 0.088 -0.120 0.000) 0.149 0.918 ( -4.952 -1.384 0.000) 5.142 1.168 ( 1.114 0.133 0.000) 1.122 1.547 ( -3.438 -0.821 0.000) 3.535 1.659 ( 2.298 1.049 0.000) 2.526 1.851 ( -6.222 4.996 0.000) 7.980 1.983 ( 5.288 -0.707 0.000) 5.335 2.073 ( -1.718 -5.286 0.000) 5.559 2.156 ( -2.232 -1.484 0.000) 2.680 2.722 ( -6.351 -1.639 0.000) 6.559 3.145 ( 2.772 3.345 0.000) 4.344 3.291 ( -10.757 -0.301 0.000) 10.761 3.421 ( 0.516 -1.825 0.000) 1.897 3.557 ( 6.638 -1.793 0.000) 6.876 3.953 ( -8.555 0.038 0.000) 8.556 4.124 ( 8.355 0.140 0.000) 8.356 4.389 ( 0.457 0.421 0.000) 0.621 4.413 ( -8.234 -0.820 0.000) 8.274 4.626 ( 0.269 -1.098 0.000) 1.130 4.655 ( -2.038 -0.231 0.000) 2.051 4.675 ( -0.141 -1.156 0.000) 1.164 6.184 ( -1.336 2.770 0.000) 3.075 6.269 ( 2.704 -1.706 0.000) 3.197 7.559 ( -2.832 -0.985 0.000) 2.998 7.664 ( 3.196 0.058 0.000) 3.196 7.771 ( 0.384 -0.210 0.000) 0.437 8.312 ( 2.038 0.210 0.000) 2.049 8.924 ( 0.326 0.059 0.000) 0.332 9.726 ( 0.095 0.017 0.000) 0.096 ======================= Grid point 32 (24/196) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -0.550 -0.868 0.000) 1.027 0.842 ( 0.382 -0.006 0.000) 0.382 0.876 ( -2.105 -6.528 0.000) 6.859 1.197 ( 1.996 0.333 0.000) 2.024 1.486 ( -3.319 -2.522 0.000) 4.168 1.625 ( -10.802 7.129 0.000) 12.943 1.688 ( 1.278 1.248 0.000) 1.786 1.948 ( -4.636 -5.815 0.000) 7.437 2.144 ( -1.334 -3.621 0.000) 3.859 2.288 ( 12.776 -2.993 0.000) 13.121 2.595 ( -7.218 -2.237 0.000) 7.557 3.138 ( -5.621 -3.389 0.000) 6.564 3.173 ( 2.048 3.480 0.000) 4.038 3.395 ( -3.181 2.118 0.000) 3.822 3.710 ( 6.443 -5.222 0.000) 8.293 3.772 ( -10.180 0.692 0.000) 10.203 4.260 ( 5.259 -0.251 0.000) 5.265 4.294 ( -5.267 -6.421 0.000) 8.305 4.381 ( -0.269 1.503 0.000) 1.527 4.635 ( -0.524 -1.290 0.000) 1.392 4.641 ( 0.814 -1.499 0.000) 1.705 4.710 ( 2.151 -2.724 0.000) 3.471 6.099 ( -3.833 3.818 0.000) 5.410 6.341 ( 2.690 -0.558 0.000) 2.747 7.507 ( -3.545 -2.387 0.000) 4.274 7.733 ( 3.750 0.169 0.000) 3.754 7.847 ( 6.715 -1.881 0.000) 6.974 8.377 ( 4.882 0.632 0.000) 4.923 8.932 ( 0.526 0.179 0.000) 0.556 9.729 ( 0.166 0.061 0.000) 0.177 ======================= Grid point 33 (25/196) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -1.307 -0.660 0.000) 1.464 0.858 ( 0.813 -1.131 0.000) 1.392 0.867 ( -3.598 -6.156 0.000) 7.131 1.234 ( 1.636 0.396 0.000) 1.683 1.384 ( -9.252 7.996 0.000) 12.228 1.450 ( -2.569 -3.534 0.000) 4.369 1.716 ( 2.820 0.439 0.000) 2.854 1.906 ( -3.752 -7.967 0.000) 8.806 2.106 ( -5.644 -3.624 0.000) 6.707 2.432 ( -11.607 0.288 0.000) 11.611 2.538 ( 11.531 -1.056 0.000) 11.579 3.153 ( 5.125 -6.112 0.000) 7.977 3.172 ( -1.016 2.409 0.000) 2.614 3.284 ( -5.681 5.405 0.000) 7.841 3.567 ( -9.763 -0.406 0.000) 9.771 3.848 ( 3.192 -9.402 0.000) 9.929 4.272 ( -2.179 -7.123 0.000) 7.449 4.322 ( 0.695 -1.676 0.000) 1.815 4.381 ( 1.413 1.264 0.000) 1.896 4.639 ( -0.173 -1.124 0.000) 1.138 4.687 ( 3.177 -1.642 0.000) 3.576 4.772 ( 2.185 -2.948 0.000) 3.669 6.017 ( -1.568 4.759 0.000) 5.010 6.373 ( 0.535 -0.009 0.000) 0.536 7.444 ( -5.462 -5.309 0.000) 7.617 7.796 ( 2.443 -0.261 0.000) 2.457 8.036 ( 11.027 -1.854 0.000) 11.182 8.494 ( 7.588 0.920 0.000) 7.644 8.942 ( 0.636 0.234 0.000) 0.678 9.732 ( 0.215 0.096 0.000) 0.236 ======================= Grid point 34 (26/196) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -1.118 -0.493 0.000) 1.221 0.795 ( -6.001 -1.779 0.000) 6.259 0.875 ( -0.008 -1.194 0.000) 1.195 1.184 ( -6.413 8.218 0.000) 10.424 1.232 ( -1.856 1.473 0.000) 2.370 1.417 ( -2.232 -1.704 0.000) 2.808 1.768 ( 0.116 2.024 0.000) 2.027 1.890 ( -3.029 -8.906 0.000) 9.407 1.953 ( -11.070 -2.669 0.000) 11.388 2.148 ( -15.389 0.752 0.000) 15.408 2.739 ( 9.147 1.652 0.000) 9.295 3.079 ( -7.454 2.129 0.000) 7.752 3.141 ( -5.481 2.448 0.000) 6.003 3.375 ( 12.803 -4.714 0.000) 13.644 3.442 ( -3.235 -0.166 0.000) 3.239 3.931 ( -1.459 -13.442 0.000) 13.521 4.228 ( -5.348 -1.609 0.000) 5.585 4.348 ( 0.450 -4.726 0.000) 4.747 4.421 ( 2.746 -0.185 0.000) 2.752 4.630 ( -1.013 0.584 0.000) 1.170 4.775 ( 4.540 -1.363 0.000) 4.740 4.817 ( 0.935 -1.624 0.000) 1.874 6.006 ( 3.645 4.402 0.000) 5.715 6.370 ( -0.577 0.095 0.000) 0.585 7.348 ( -8.827 -8.910 0.000) 12.542 7.817 ( -1.340 -1.798 0.000) 2.242 8.267 ( 11.640 0.382 0.000) 11.647 8.659 ( 9.945 0.815 0.000) 9.979 8.953 ( 0.653 0.189 0.000) 0.680 9.736 ( 0.234 0.105 0.000) 0.256 ======================= Grid point 35 (27/196) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -6.238 4.688 0.000) 7.803 0.712 ( -2.625 3.303 0.000) 4.220 0.866 ( -0.714 0.070 0.000) 0.718 1.057 ( -2.589 4.905 0.000) 5.546 1.145 ( -5.329 2.731 0.000) 5.988 1.373 ( -4.639 0.801 0.000) 4.708 1.538 ( -16.926 9.361 0.000) 19.342 1.713 ( -15.215 -2.688 0.000) 15.451 1.887 ( -2.514 -8.872 0.000) 9.222 2.014 ( 0.666 -1.938 0.000) 2.049 2.841 ( 1.465 4.866 0.000) 5.082 2.925 ( -5.932 -0.581 0.000) 5.960 3.072 ( 0.353 0.117 0.000) 0.372 3.409 ( -1.149 -0.179 0.000) 1.163 3.594 ( 2.494 -4.707 0.000) 5.327 3.968 ( -0.477 -13.866 0.000) 13.875 4.103 ( -7.075 1.123 0.000) 7.163 4.378 ( 0.200 -2.544 0.000) 2.552 4.468 ( 0.483 -1.616 0.000) 1.687 4.605 ( 0.310 2.744 0.000) 2.762 4.830 ( 0.335 0.215 0.000) 0.398 4.865 ( 3.821 -1.151 0.000) 3.991 6.126 ( 11.061 2.698 0.000) 11.385 6.357 ( -0.674 -0.061 0.000) 0.677 7.197 ( -12.814 -11.150 0.000) 16.986 7.741 ( -9.462 -5.277 0.000) 10.834 8.459 ( 8.935 3.270 0.000) 9.514 8.861 ( 10.982 0.756 0.000) 11.008 8.965 ( 0.556 0.079 0.000) 0.561 9.739 ( 0.208 0.088 0.000) 0.226 ======================= Grid point 36 (28/196) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -4.181 12.556 0.000) 13.233 0.582 ( -5.148 12.956 0.000) 13.942 0.876 ( 0.916 -2.082 0.000) 2.274 0.991 ( -11.385 14.355 0.000) 18.322 1.014 ( -0.598 1.316 0.000) 1.446 1.082 ( -12.196 2.365 0.000) 12.423 1.228 ( -13.285 2.890 0.000) 13.596 1.588 ( 2.346 -1.289 0.000) 2.676 1.895 ( -1.607 -8.320 0.000) 8.474 2.055 ( 2.390 0.071 0.000) 2.392 2.778 ( -3.575 -1.036 0.000) 3.722 2.854 ( -1.481 4.860 0.000) 5.081 3.150 ( 5.778 -0.542 0.000) 5.803 3.378 ( -32.345 -16.453 0.000) 36.289 3.380 ( -2.684 -1.780 0.000) 3.220 3.962 ( -5.352 4.037 0.000) 6.704 4.120 ( 9.235 -2.807 0.000) 9.652 4.384 ( -0.299 -0.281 0.000) 0.410 4.433 ( -4.207 -0.650 0.000) 4.257 4.614 ( 1.016 3.508 0.000) 3.652 4.863 ( 4.047 -0.716 0.000) 4.110 4.930 ( 2.111 -1.030 0.000) 2.349 6.347 ( -0.252 -0.219 0.000) 0.334 6.398 ( 17.566 1.274 0.000) 17.612 6.982 ( -14.989 -9.835 0.000) 17.927 7.466 ( -24.543 -9.046 0.000) 26.157 8.569 ( 4.744 4.812 0.000) 6.757 8.973 ( 0.330 -0.019 0.000) 0.331 9.059 ( 9.359 0.535 0.000) 9.374 9.742 ( 0.127 0.063 0.000) 0.142 ======================= Grid point 37 (29/196) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 0.000 15.083 0.000) 15.083 0.426 ( 0.000 17.876 0.000) 17.876 0.659 ( 0.000 27.712 0.000) 27.712 0.901 ( -0.000 -2.174 0.000) 2.174 1.005 ( 0.000 0.443 0.000) 0.443 1.006 ( -0.000 -0.592 0.000) 0.592 1.055 ( 0.000 0.136 0.000) 0.136 1.753 ( -0.000 -8.075 0.000) 8.075 1.924 ( -0.000 -7.628 0.000) 7.628 2.131 ( 0.000 2.759 0.000) 2.759 2.668 ( 0.000 7.876 0.000) 7.876 2.750 ( -0.000 -1.229 0.000) 1.229 2.811 ( 0.000 4.902 0.000) 4.902 3.231 ( 0.000 0.950 0.000) 0.950 3.352 ( -0.000 -4.938 0.000) 4.938 3.876 ( 0.000 5.796 0.000) 5.796 4.278 ( 0.000 1.062 0.000) 1.062 4.343 ( -0.000 -1.945 0.000) 1.945 4.378 ( 0.000 0.464 0.000) 0.464 4.591 ( 0.000 5.185 0.000) 5.185 4.956 ( -0.000 -0.899 0.000) 0.899 4.961 ( -0.000 -5.196 0.000) 5.196 6.347 ( -0.000 -0.249 0.000) 0.249 6.651 ( -0.000 -0.251 0.000) 0.251 6.901 ( -0.000 -0.083 0.000) 0.083 6.985 ( -0.000 -2.356 0.000) 2.356 8.587 ( 0.000 4.665 0.000) 4.665 8.977 ( -0.000 -0.048 0.000) 0.048 9.176 ( -0.000 -1.813 0.000) 1.813 9.743 ( 0.000 0.047 0.000) 0.047 ======================= Grid point 42 (30/196) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -1.248 -0.000 0.000) 1.248 0.833 ( 0.081 0.000 0.000) 0.081 1.049 ( -7.002 -0.000 0.000) 7.002 1.151 ( 0.654 0.000 0.000) 0.654 1.595 ( -1.854 -0.000 0.000) 1.854 1.630 ( 1.085 0.000 0.000) 1.085 1.678 ( 14.610 0.000 0.000) 14.610 2.035 ( -4.850 -0.000 0.000) 4.850 2.222 ( -4.397 -0.000 0.000) 4.397 2.228 ( -10.948 -0.000 0.000) 10.948 2.771 ( 1.467 0.000 0.000) 1.467 3.114 ( 3.579 0.000 0.000) 3.579 3.356 ( 2.545 0.000 0.000) 2.545 3.423 ( 5.509 0.000 0.000) 5.509 3.582 ( -17.209 -0.000 0.000) 17.209 3.947 ( 9.951 0.000 0.000) 9.951 4.113 ( -8.200 -0.000 0.000) 8.200 4.363 ( 1.876 0.000 0.000) 1.876 4.591 ( -7.561 -0.000 0.000) 7.561 4.598 ( 1.321 0.000 0.000) 1.321 4.695 ( -2.471 -0.000 0.000) 2.471 4.720 ( -3.468 -0.000 0.000) 3.468 6.096 ( 7.828 0.000 0.000) 7.828 6.300 ( -3.403 -0.000 0.000) 3.403 7.607 ( -2.971 -0.000 0.000) 2.971 7.623 ( 0.763 0.000 0.000) 0.763 7.829 ( -5.366 -0.000 0.000) 5.366 8.301 ( -0.769 -0.000 0.000) 0.769 8.920 ( 0.049 0.000 0.000) 0.049 9.725 ( 0.011 0.000 0.000) 0.011 ======================= Grid point 43 (31/196) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -0.767 0.009 0.000) 0.767 0.838 ( 0.302 -0.058 0.000) 0.308 0.907 ( -6.969 -0.432 0.000) 6.983 1.169 ( 1.271 0.047 0.000) 1.272 1.540 ( -3.823 -0.287 0.000) 3.834 1.668 ( 2.464 0.438 0.000) 2.503 1.903 ( -2.628 3.473 0.000) 4.355 1.979 ( 7.181 0.153 0.000) 7.183 2.016 ( -7.539 -4.015 0.000) 8.542 2.144 ( -3.139 -0.585 0.000) 3.193 2.708 ( -7.159 -0.674 0.000) 7.191 3.177 ( 3.066 1.733 0.000) 3.522 3.290 ( -12.110 0.029 0.000) 12.111 3.401 ( 1.551 -1.205 0.000) 1.965 3.542 ( 6.110 -0.749 0.000) 6.156 3.953 ( -8.321 -0.013 0.000) 8.321 4.125 ( 8.382 0.064 0.000) 8.383 4.392 ( 0.952 0.157 0.000) 0.965 4.408 ( -10.559 -0.146 0.000) 10.560 4.616 ( 0.425 -0.487 0.000) 0.646 4.655 ( -2.588 0.106 0.000) 2.590 4.665 ( -0.713 -0.613 0.000) 0.940 6.215 ( -1.166 2.578 0.000) 2.830 6.246 ( 3.280 -2.182 0.000) 3.939 7.551 ( -3.085 -0.376 0.000) 3.108 7.664 ( 3.115 -0.052 0.000) 3.116 7.770 ( -0.173 0.011 0.000) 0.173 8.314 ( 2.176 0.077 0.000) 2.177 8.925 ( 0.371 0.021 0.000) 0.372 9.726 ( 0.109 0.006 0.000) 0.109 ======================= Grid point 44 (32/196) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -0.559 -0.446 0.000) 0.715 0.813 ( -3.564 -4.167 0.000) 5.484 0.842 ( 0.072 -0.018 0.000) 0.075 1.200 ( 1.910 0.186 0.000) 1.919 1.463 ( -4.096 -1.451 0.000) 4.345 1.701 ( 1.152 0.929 0.000) 1.480 1.707 ( -10.255 7.183 0.000) 12.521 1.877 ( -6.202 -6.445 0.000) 8.944 2.110 ( -1.791 -2.252 0.000) 2.877 2.261 ( 13.880 -1.691 0.000) 13.983 2.573 ( -6.352 -1.524 0.000) 6.532 3.109 ( -6.850 -1.611 0.000) 7.037 3.207 ( 1.075 2.150 0.000) 2.404 3.415 ( -0.486 1.303 0.000) 1.390 3.661 ( 4.886 -3.064 0.000) 5.768 3.779 ( -10.250 0.428 0.000) 10.259 4.230 ( -7.056 -3.883 0.000) 8.054 4.261 ( 4.822 -0.209 0.000) 4.826 4.396 ( -0.062 0.993 0.000) 0.995 4.626 ( -0.436 -0.357 0.000) 0.564 4.628 ( 0.737 -0.873 0.000) 1.143 4.682 ( 1.561 -2.022 0.000) 2.554 6.136 ( -3.539 2.449 0.000) 4.304 6.335 ( 3.149 -0.554 0.000) 3.197 7.486 ( -4.338 -1.359 0.000) 4.546 7.732 ( 3.543 -0.280 0.000) 3.554 7.833 ( 6.459 -0.715 0.000) 6.498 8.383 ( 5.009 0.342 0.000) 5.021 8.934 ( 0.556 0.098 0.000) 0.565 9.729 ( 0.182 0.035 0.000) 0.186 ======================= Grid point 45 (33/196) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -0.632 0.112 0.000) 0.642 0.806 ( -0.852 -4.404 0.000) 4.485 0.845 ( 0.057 -1.120 0.000) 1.122 1.236 ( 1.573 -0.095 0.000) 1.576 1.413 ( -2.278 -2.767 0.000) 3.585 1.474 ( -8.999 7.695 0.000) 11.840 1.722 ( 2.349 0.635 0.000) 2.433 1.816 ( -4.434 -7.691 0.000) 8.877 2.069 ( -4.795 -2.822 0.000) 5.563 2.433 ( -10.757 -0.076 0.000) 10.758 2.527 ( 12.649 -0.801 0.000) 12.675 3.094 ( 4.991 -4.086 0.000) 6.451 3.188 ( -2.298 0.723 0.000) 2.409 3.356 ( -3.996 6.691 0.000) 7.794 3.556 ( -11.172 -1.553 0.000) 11.279 3.756 ( 1.696 -6.588 0.000) 6.803 4.190 ( -0.633 -6.359 0.000) 6.390 4.311 ( -0.256 -0.648 0.000) 0.697 4.394 ( 0.764 0.921 0.000) 1.197 4.633 ( 0.781 0.124 0.000) 0.791 4.671 ( 3.356 -1.136 0.000) 3.543 4.737 ( 2.176 -3.136 0.000) 3.817 6.066 ( -1.469 3.655 0.000) 3.939 6.372 ( 0.674 -0.132 0.000) 0.687 7.392 ( -6.943 -3.668 0.000) 7.853 7.791 ( 1.919 -0.615 0.000) 2.015 8.019 ( 11.776 -1.020 0.000) 11.821 8.502 ( 7.552 0.587 0.000) 7.574 8.944 ( 0.624 0.158 0.000) 0.644 9.733 ( 0.224 0.070 0.000) 0.234 ======================= Grid point 46 (34/196) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -0.332 1.129 0.000) 1.177 0.794 ( -1.413 1.478 0.000) 2.045 0.858 ( 0.267 -1.921 0.000) 1.940 1.241 ( -1.607 0.229 0.000) 1.623 1.277 ( -6.773 7.952 0.000) 10.446 1.397 ( -0.968 -1.762 0.000) 2.011 1.785 ( 2.942 0.744 0.000) 3.035 1.789 ( -3.182 -8.515 0.000) 9.091 1.931 ( -10.796 -1.126 0.000) 10.855 2.152 ( -16.426 -0.051 0.000) 16.426 2.754 ( 10.628 0.966 0.000) 10.671 3.098 ( -7.670 1.168 0.000) 7.758 3.172 ( -8.667 2.858 0.000) 9.126 3.328 ( 14.910 -3.478 0.000) 15.310 3.440 ( -2.451 -0.288 0.000) 2.467 3.792 ( -3.089 -10.635 0.000) 11.075 4.210 ( -2.375 -1.484 0.000) 2.800 4.298 ( -0.031 -3.881 0.000) 3.881 4.418 ( 1.711 -0.339 0.000) 1.745 4.643 ( 0.540 1.657 0.000) 1.743 4.760 ( 4.681 -1.159 0.000) 4.822 4.790 ( 1.343 -2.952 0.000) 3.243 6.055 ( 3.085 4.052 0.000) 5.093 6.371 ( -0.625 -0.005 0.000) 0.625 7.256 ( -10.249 -7.032 0.000) 12.429 7.798 ( -2.377 -1.590 0.000) 2.860 8.272 ( 13.297 0.485 0.000) 13.306 8.666 ( 9.568 0.398 0.000) 9.576 8.955 ( 0.600 0.148 0.000) 0.618 9.737 ( 0.230 0.089 0.000) 0.246 ======================= Grid point 47 (35/196) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -1.228 7.810 0.000) 7.906 0.742 ( 0.401 2.072 0.000) 2.111 0.868 ( -0.071 -0.039 0.000) 0.081 1.122 ( -4.725 6.573 0.000) 8.095 1.164 ( -5.699 0.757 0.000) 5.749 1.381 ( -2.612 0.557 0.000) 2.671 1.640 ( -14.480 7.372 0.000) 16.249 1.687 ( -15.284 -1.049 0.000) 15.320 1.786 ( -2.318 -8.697 0.000) 9.001 1.991 ( 0.938 -2.105 0.000) 2.305 2.881 ( -5.561 1.475 0.000) 5.753 2.926 ( 1.193 1.407 0.000) 1.845 3.073 ( -1.122 -0.003 0.000) 1.122 3.409 ( -1.419 0.187 0.000) 1.432 3.544 ( -2.910 -3.783 0.000) 4.773 3.832 ( 6.926 -10.076 0.000) 12.227 4.119 ( -5.481 1.643 0.000) 5.721 4.347 ( 1.716 -2.840 0.000) 3.318 4.450 ( 0.499 -1.449 0.000) 1.532 4.638 ( 0.729 2.992 0.000) 3.080 4.819 ( 0.261 -1.937 0.000) 1.954 4.852 ( 3.874 -1.149 0.000) 4.041 6.159 ( 10.172 3.081 0.000) 10.629 6.356 ( -0.810 -0.115 0.000) 0.818 7.078 ( -12.857 -9.431 0.000) 15.945 7.692 ( -10.684 -3.380 0.000) 11.206 8.498 ( 10.536 3.382 0.000) 11.065 8.862 ( 10.342 -0.462 0.000) 10.352 8.965 ( 0.489 0.069 0.000) 0.494 9.740 ( 0.196 0.085 0.000) 0.213 ======================= Grid point 48 (36/196) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -2.188 11.968 0.000) 12.166 0.715 ( -0.797 9.482 0.000) 9.516 0.860 ( -0.052 -0.248 0.000) 0.253 1.033 ( -1.907 2.087 0.000) 2.827 1.045 ( -5.338 -0.568 0.000) 5.368 1.178 ( -12.660 7.978 0.000) 14.964 1.287 ( -15.501 9.190 0.000) 18.021 1.566 ( 2.108 -2.080 0.000) 2.961 1.798 ( -1.412 -8.478 0.000) 8.595 2.056 ( 4.220 -0.268 0.000) 4.229 2.750 ( -5.311 -3.431 0.000) 6.323 2.914 ( -1.040 5.197 0.000) 5.300 3.145 ( 6.271 -0.139 0.000) 6.272 3.250 ( -27.773 -6.734 0.000) 28.577 3.366 ( -3.353 -0.567 0.000) 3.401 4.007 ( -3.970 3.753 0.000) 5.463 4.099 ( 13.108 -1.161 0.000) 13.160 4.380 ( 0.704 -0.400 0.000) 0.809 4.429 ( -3.465 -0.152 0.000) 3.468 4.650 ( 1.674 2.597 0.000) 3.089 4.839 ( 1.061 -3.045 0.000) 3.225 4.917 ( 2.117 -1.135 0.000) 2.402 6.345 ( -0.402 -0.297 0.000) 0.500 6.416 ( 17.386 1.936 0.000) 17.493 6.880 ( -11.630 -7.922 0.000) 14.072 7.395 ( -22.508 -4.168 0.000) 22.891 8.629 ( 5.517 5.523 0.000) 7.806 8.973 ( 0.287 -0.022 0.000) 0.288 9.051 ( 7.901 -1.605 0.000) 8.062 9.743 ( 0.117 0.068 0.000) 0.135 ======================= Grid point 49 (37/196) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.000 12.366 0.000) 12.366 0.620 ( 0.000 15.924 0.000) 15.924 0.873 ( -0.000 -2.523 0.000) 2.523 0.962 ( 0.000 25.216 0.000) 25.216 0.996 ( -0.000 -1.180 0.000) 1.180 1.011 ( 0.000 0.534 0.000) 0.534 1.057 ( 0.000 0.239 0.000) 0.239 1.663 ( -0.000 -7.526 0.000) 7.526 1.831 ( -0.000 -8.361 0.000) 8.361 2.148 ( 0.000 0.085 0.000) 0.085 2.721 ( -0.000 -3.691 0.000) 3.691 2.770 ( 0.000 9.731 0.000) 9.731 2.871 ( 0.000 5.340 0.000) 5.340 3.243 ( 0.000 1.143 0.000) 1.143 3.306 ( -0.000 -2.825 0.000) 2.825 3.940 ( 0.000 5.241 0.000) 5.241 4.290 ( 0.000 1.091 0.000) 1.091 4.332 ( -0.000 -0.012 0.000) 0.012 4.384 ( 0.000 0.557 0.000) 0.557 4.646 ( 0.000 4.248 0.000) 4.248 4.893 ( -0.000 -6.547 0.000) 6.547 4.944 ( -0.000 -1.110 0.000) 1.110 6.343 ( -0.000 -0.366 0.000) 0.366 6.648 ( -0.000 -0.244 0.000) 0.244 6.900 ( -0.000 -0.175 0.000) 0.175 6.956 ( -0.000 -2.586 0.000) 2.586 8.649 ( 0.000 5.925 0.000) 5.925 8.976 ( -0.000 -0.060 0.000) 0.060 9.151 ( -0.000 -2.666 0.000) 2.666 9.744 ( 0.000 0.058 0.000) 0.058 ======================= Grid point 56 (38/196) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -0.547 -0.000 0.000) 0.547 0.788 ( -4.236 -0.000 0.000) 4.236 0.841 ( -0.046 -0.000 0.000) 0.046 1.201 ( 1.868 0.000 0.000) 1.868 1.455 ( -4.395 -0.000 0.000) 4.395 1.707 ( 1.120 0.000 0.000) 1.120 1.771 ( -11.556 -0.000 0.000) 11.556 1.817 ( -5.258 -0.000 0.000) 5.258 2.096 ( -1.976 -0.000 0.000) 1.976 2.251 ( 14.277 0.000 0.000) 14.277 2.564 ( -6.013 -0.000 0.000) 6.013 3.100 ( -7.310 -0.000 0.000) 7.310 3.219 ( 0.429 0.000 0.000) 0.429 3.423 ( 0.943 0.000 0.000) 0.943 3.643 ( 4.351 0.000 0.000) 4.351 3.781 ( -10.279 -0.000 0.000) 10.279 4.207 ( -8.338 -0.000 0.000) 8.338 4.261 ( 5.108 0.000 0.000) 5.108 4.402 ( 0.014 0.000 0.000) 0.014 4.623 ( 0.730 0.000 0.000) 0.730 4.625 ( -0.292 -0.000 0.000) 0.292 4.670 ( 1.230 0.000 0.000) 1.230 6.150 ( -3.507 -0.000 0.000) 3.507 6.331 ( 3.395 0.000 0.000) 3.395 7.478 ( -4.615 -0.000 0.000) 4.615 7.730 ( 3.477 0.000 0.000) 3.477 7.829 ( 6.345 0.000 0.000) 6.345 8.385 ( 5.051 0.000 0.000) 5.051 8.934 ( 0.566 0.000 0.000) 0.566 9.729 ( 0.188 0.000 0.000) 0.188 ======================= Grid point 58 (39/196) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.146 0.206 0.000) 0.253 0.771 ( 1.612 -1.591 0.000) 2.265 0.835 ( -0.686 -0.525 0.000) 0.864 1.234 ( 1.314 -0.134 0.000) 1.321 1.391 ( -2.192 -1.050 0.000) 2.430 1.550 ( -9.376 4.698 0.000) 10.487 1.728 ( 1.977 0.315 0.000) 2.002 1.740 ( -4.316 -4.696 0.000) 6.378 2.046 ( -4.178 -1.094 0.000) 4.319 2.431 ( -10.324 -0.081 0.000) 10.324 2.521 ( 13.256 -0.296 0.000) 13.259 3.062 ( 4.865 -1.417 0.000) 5.067 3.193 ( -2.877 0.166 0.000) 2.882 3.422 ( -1.029 4.072 0.000) 4.200 3.533 ( -14.360 -1.940 0.000) 14.491 3.704 ( 0.942 -2.365 0.000) 2.546 4.138 ( 0.271 -2.517 0.000) 2.532 4.306 ( -0.596 -0.225 0.000) 0.638 4.401 ( 0.301 0.339 0.000) 0.453 4.639 ( 1.593 0.581 0.000) 1.696 4.662 ( 3.452 -0.403 0.000) 3.475 4.707 ( 1.920 -1.692 0.000) 2.559 6.096 ( -1.418 1.400 0.000) 1.992 6.370 ( 0.784 -0.093 0.000) 0.789 7.363 ( -7.760 -1.318 0.000) 7.871 7.785 ( 1.730 -0.301 0.000) 1.756 8.012 ( 12.098 -0.309 0.000) 12.102 8.507 ( 7.518 0.200 0.000) 7.520 8.946 ( 0.617 0.056 0.000) 0.620 9.733 ( 0.228 0.026 0.000) 0.230 ======================= Grid point 59 (40/196) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.522 2.142 0.000) 2.204 0.819 ( 2.434 2.271 0.000) 3.329 0.833 ( 0.012 -2.402 0.000) 2.402 1.240 ( -1.400 -0.324 0.000) 1.437 1.360 ( -7.148 6.125 0.000) 9.413 1.379 ( -0.011 -1.183 0.000) 1.183 1.702 ( -3.002 -6.426 0.000) 7.092 1.785 ( 2.930 -0.428 0.000) 2.961 1.927 ( -8.659 0.279 0.000) 8.664 2.149 ( -17.176 -0.396 0.000) 17.180 2.762 ( 11.530 0.453 0.000) 11.538 3.107 ( -6.949 0.480 0.000) 6.965 3.201 ( -12.710 1.923 0.000) 12.855 3.298 ( 16.767 -1.736 0.000) 16.856 3.436 ( -1.152 -0.284 0.000) 1.186 3.696 ( -4.363 -5.914 0.000) 7.349 4.195 ( 2.209 -0.937 0.000) 2.399 4.263 ( -2.557 -2.144 0.000) 3.337 4.414 ( 1.014 -0.249 0.000) 1.044 4.666 ( 1.745 2.295 0.000) 2.883 4.749 ( 4.756 -0.663 0.000) 4.802 4.754 ( 1.329 -3.160 0.000) 3.428 6.093 ( 2.742 2.512 0.000) 3.719 6.370 ( -0.645 -0.068 0.000) 0.649 7.193 ( -11.190 -3.905 0.000) 11.852 7.783 ( -2.843 -0.921 0.000) 2.988 8.277 ( 14.427 0.319 0.000) 14.430 8.669 ( 9.181 0.140 0.000) 9.183 8.957 ( 0.564 0.080 0.000) 0.570 9.738 ( 0.226 0.051 0.000) 0.232 ======================= Grid point 60 (41/196) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 0.426 1.770 0.000) 1.821 0.828 ( 1.245 6.880 0.000) 6.991 0.862 ( 1.665 -0.902 0.000) 1.894 1.166 ( -6.366 -0.157 0.000) 6.368 1.200 ( -5.743 6.557 0.000) 8.716 1.386 ( -0.435 0.383 0.000) 0.580 1.654 ( -18.301 -1.325 0.000) 18.349 1.694 ( -1.977 -7.264 0.000) 7.528 1.735 ( -9.392 5.785 0.000) 11.031 1.968 ( 0.955 -1.839 0.000) 2.073 2.880 ( -12.085 -0.877 0.000) 12.117 2.953 ( 7.778 2.426 0.000) 8.148 3.072 ( -2.392 -0.120 0.000) 2.395 3.413 ( -1.529 0.334 0.000) 1.565 3.510 ( -8.183 -2.120 0.000) 8.453 3.739 ( 15.277 -6.252 0.000) 16.507 4.139 ( -4.625 1.788 0.000) 4.959 4.315 ( 3.319 -2.559 0.000) 4.190 4.436 ( 0.511 -1.027 0.000) 1.147 4.673 ( 0.678 3.200 0.000) 3.271 4.789 ( 0.387 -3.070 0.000) 3.095 4.840 ( 3.922 -0.852 0.000) 4.014 6.193 ( 9.511 2.634 0.000) 9.869 6.354 ( -0.909 -0.140 0.000) 0.920 6.987 ( -12.601 -6.317 0.000) 14.096 7.662 ( -11.056 -1.937 0.000) 11.224 8.533 ( 12.054 2.638 0.000) 12.339 8.854 ( 9.420 -0.875 0.000) 9.461 8.966 ( 0.436 0.046 0.000) 0.438 9.741 ( 0.185 0.061 0.000) 0.194 ======================= Grid point 61 (42/196) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 1.019 0.840 0.000) 1.321 0.777 ( -2.474 9.409 0.000) 9.729 0.887 ( 1.359 4.375 0.000) 4.581 1.029 ( -6.629 -2.134 0.000) 6.964 1.068 ( -4.147 4.235 0.000) 5.928 1.226 ( -14.083 2.279 0.000) 14.267 1.401 ( -7.205 6.748 0.000) 9.872 1.565 ( -1.228 3.973 0.000) 4.159 1.706 ( -1.120 -7.569 0.000) 7.652 2.043 ( 4.395 -2.156 0.000) 4.896 2.707 ( -6.654 -3.931 0.000) 7.729 2.968 ( -1.234 4.121 0.000) 4.302 3.146 ( 6.901 0.188 0.000) 6.904 3.208 ( -21.251 -1.359 0.000) 21.295 3.365 ( -3.458 0.153 0.000) 3.462 4.046 ( -3.254 2.871 0.000) 4.340 4.091 ( 15.808 -0.297 0.000) 15.810 4.375 ( 1.775 -0.429 0.000) 1.826 4.429 ( -2.145 0.078 0.000) 2.147 4.670 ( 0.569 0.787 0.000) 0.971 4.804 ( -0.310 -2.576 0.000) 2.594 4.905 ( 2.138 -0.974 0.000) 2.349 6.341 ( -0.496 -0.307 0.000) 0.583 6.441 ( 17.252 2.346 0.000) 17.411 6.801 ( -9.077 -5.958 0.000) 10.857 7.361 ( -21.283 -2.184 0.000) 21.395 8.691 ( 6.378 5.265 0.000) 8.270 8.973 ( 0.247 -0.020 0.000) 0.247 9.027 ( 6.804 -2.542 0.000) 7.263 9.744 ( 0.107 0.057 0.000) 0.121 ======================= Grid point 62 (43/196) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 9.623 0.000) 9.623 0.767 ( 0.000 7.112 0.000) 7.112 0.864 ( 0.000 3.807 0.000) 3.807 0.978 ( -0.000 -1.923 0.000) 1.923 1.017 ( 0.000 0.501 0.000) 0.501 1.060 ( 0.000 0.296 0.000) 0.296 1.226 ( 0.000 20.612 0.000) 20.612 1.590 ( -0.000 -4.694 0.000) 4.694 1.738 ( -0.000 -7.879 0.000) 7.879 2.131 ( -0.000 -3.149 0.000) 3.149 2.670 ( -0.000 -5.077 0.000) 5.077 2.881 ( 0.000 9.395 0.000) 9.395 2.929 ( 0.000 4.608 0.000) 4.608 3.256 ( 0.000 1.073 0.000) 1.073 3.287 ( -0.000 -0.699 0.000) 0.699 3.992 ( 0.000 3.978 0.000) 3.978 4.301 ( 0.000 0.799 0.000) 0.799 4.344 ( 0.000 2.148 0.000) 2.148 4.390 ( 0.000 0.523 0.000) 0.523 4.679 ( 0.000 0.884 0.000) 0.884 4.822 ( -0.000 -5.161 0.000) 5.161 4.932 ( -0.000 -1.071 0.000) 1.071 6.339 ( -0.000 -0.411 0.000) 0.411 6.646 ( -0.000 -0.164 0.000) 0.164 6.897 ( -0.000 -0.244 0.000) 0.244 6.929 ( -0.000 -2.204 0.000) 2.204 8.719 ( 0.000 6.261 0.000) 6.261 8.975 ( -0.000 -0.058 0.000) 0.058 9.116 ( -0.000 -3.347 0.000) 3.347 9.745 ( 0.000 0.055 0.000) 0.055 ======================= Grid point 71 (44/196) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 2.120 0.000 0.000) 2.120 0.811 ( -1.393 -0.000 0.000) 1.393 0.834 ( 3.886 0.000 0.000) 3.886 1.237 ( -1.285 -0.000 0.000) 1.285 1.372 ( 0.345 0.000 0.000) 0.345 1.399 ( -7.524 -0.000 0.000) 7.524 1.660 ( -2.669 -0.000 0.000) 2.669 1.782 ( 2.362 0.000 0.000) 2.362 1.930 ( -7.302 -0.000 0.000) 7.302 2.146 ( -17.506 -0.000 0.000) 17.506 2.764 ( 11.835 0.000 0.000) 11.835 3.110 ( -6.645 -0.000 0.000) 6.645 3.212 ( -14.540 -0.000 0.000) 14.540 3.288 ( 17.554 0.000 0.000) 17.554 3.434 ( -0.406 -0.000 0.000) 0.406 3.662 ( -4.909 -0.000 0.000) 4.909 4.190 ( 4.796 0.000 0.000) 4.796 4.251 ( -4.334 -0.000 0.000) 4.334 4.413 ( 0.771 0.000 0.000) 0.771 4.685 ( 2.680 0.000 0.000) 2.680 4.730 ( 0.789 0.000 0.000) 0.789 4.746 ( 4.778 0.000 0.000) 4.778 6.108 ( 2.632 0.000 0.000) 2.632 6.370 ( -0.648 -0.000 0.000) 0.648 7.170 ( -11.521 -0.000 0.000) 11.521 7.778 ( -2.969 -0.000 0.000) 2.969 8.279 ( 14.828 0.000 0.000) 14.828 8.670 ( 9.022 0.000 0.000) 9.022 8.957 ( 0.551 0.000 0.000) 0.551 9.738 ( 0.225 0.000 0.000) 0.225 ======================= Grid point 73 (45/196) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -0.960 1.000 0.000) 1.386 0.851 ( 3.549 -0.772 0.000) 3.632 0.885 ( 1.982 2.740 0.000) 3.382 1.163 ( -6.954 -0.226 0.000) 6.957 1.259 ( -6.140 3.131 0.000) 6.892 1.389 ( 1.015 0.154 0.000) 1.027 1.630 ( -1.574 -3.258 0.000) 3.619 1.643 ( -19.133 -0.530 0.000) 19.141 1.782 ( -6.724 2.233 0.000) 7.085 1.952 ( 0.322 -0.843 0.000) 0.902 2.871 ( -13.628 -0.457 0.000) 13.635 2.973 ( 9.697 0.955 0.000) 9.744 3.070 ( -3.458 -0.093 0.000) 3.459 3.416 ( -1.566 0.159 0.000) 1.574 3.495 ( -11.950 -0.617 0.000) 11.966 3.691 ( 21.185 -2.169 0.000) 21.295 4.156 ( -4.697 0.908 0.000) 4.784 4.293 ( 4.729 -1.171 0.000) 4.872 4.427 ( 0.500 -0.374 0.000) 0.624 4.710 ( -0.022 3.221 0.000) 3.221 4.752 ( 1.093 -3.271 0.000) 3.449 4.833 ( 3.950 -0.315 0.000) 3.962 6.215 ( 9.191 1.078 0.000) 9.254 6.353 ( -0.957 -0.074 0.000) 0.960 6.938 ( -12.426 -2.253 0.000) 12.628 7.648 ( -11.144 -0.638 0.000) 11.162 8.554 ( 13.081 1.023 0.000) 13.121 8.845 ( 8.694 -0.434 0.000) 8.705 8.966 ( 0.406 0.016 0.000) 0.407 9.742 ( 0.178 0.022 0.000) 0.179 ======================= Grid point 74 (46/196) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.244 -0.744 0.000) 0.783 0.868 ( -2.329 6.560 0.000) 6.962 0.926 ( 4.330 2.078 0.000) 4.802 0.999 ( -8.006 -3.060 0.000) 8.571 1.123 ( -5.541 4.712 0.000) 7.274 1.246 ( -16.347 1.285 0.000) 16.398 1.421 ( -0.459 -0.972 0.000) 1.075 1.632 ( -0.814 -5.095 0.000) 5.160 1.655 ( -2.741 8.982 0.000) 9.390 2.007 ( 2.874 -3.701 0.000) 4.686 2.668 ( -7.639 -2.557 0.000) 8.056 3.005 ( -1.553 2.339 0.000) 2.808 3.148 ( 7.570 0.138 0.000) 7.571 3.205 ( -16.560 0.355 0.000) 16.563 3.367 ( -3.422 0.250 0.000) 3.432 4.071 ( -3.032 1.566 0.000) 3.412 4.090 ( 17.720 0.056 0.000) 17.720 4.371 ( 2.641 -0.291 0.000) 2.657 4.430 ( -0.675 0.127 0.000) 0.686 4.668 ( -2.832 -0.681 0.000) 2.913 4.785 ( 0.784 -0.817 0.000) 1.132 4.896 ( 2.162 -0.564 0.000) 2.234 6.338 ( -0.559 -0.196 0.000) 0.592 6.466 ( 17.540 1.867 0.000) 17.639 6.746 ( -8.062 -3.563 0.000) 8.814 7.343 ( -20.638 -0.985 0.000) 20.661 8.743 ( 7.261 3.614 0.000) 8.111 8.973 ( 0.219 -0.012 0.000) 0.219 8.998 ( 5.886 -2.200 0.000) 6.284 9.744 ( 0.100 0.032 0.000) 0.105 ======================= Grid point 75 (47/196) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.000 7.068 0.000) 7.068 0.775 ( -0.000 -1.859 0.000) 1.859 0.952 ( -0.000 -2.631 0.000) 2.631 0.965 ( 0.000 9.809 0.000) 9.809 1.022 ( 0.000 0.355 0.000) 0.355 1.064 ( 0.000 0.244 0.000) 0.244 1.398 ( 0.000 7.443 0.000) 7.443 1.587 ( 0.000 6.142 0.000) 6.142 1.656 ( -0.000 -6.329 0.000) 6.329 2.078 ( -0.000 -5.950 0.000) 5.950 2.614 ( -0.000 -4.319 0.000) 4.319 2.974 ( 0.000 3.182 0.000) 3.182 2.975 ( 0.000 6.810 0.000) 6.810 3.267 ( 0.000 0.759 0.000) 0.759 3.285 ( 0.000 0.185 0.000) 0.185 4.029 ( 0.000 2.443 0.000) 2.443 4.308 ( 0.000 0.404 0.000) 0.404 4.379 ( 0.000 3.827 0.000) 3.827 4.395 ( 0.000 0.370 0.000) 0.370 4.652 ( -0.000 -5.053 0.000) 5.053 4.793 ( -0.000 -0.256 0.000) 0.256 4.921 ( -0.000 -0.773 0.000) 0.773 6.334 ( -0.000 -0.330 0.000) 0.330 6.645 ( -0.000 -0.074 0.000) 0.074 6.894 ( -0.000 -0.223 0.000) 0.223 6.908 ( -0.000 -1.437 0.000) 1.437 8.787 ( 0.000 5.448 0.000) 5.448 8.975 ( -0.000 -0.042 0.000) 0.042 9.077 ( -0.000 -3.462 0.000) 3.462 9.745 ( 0.000 0.039 0.000) 0.039 ======================= Grid point 86 (48/196) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -0.770 -0.000 0.000) 0.770 0.915 ( 0.375 0.000 0.000) 0.375 0.937 ( 5.015 0.000 0.000) 5.015 0.971 ( -11.148 -0.000 0.000) 11.148 1.154 ( -5.678 -0.000 0.000) 5.678 1.253 ( -17.519 -0.000 0.000) 17.519 1.412 ( 0.934 0.000 0.000) 0.934 1.600 ( -0.659 -0.000 0.000) 0.659 1.716 ( -1.270 -0.000 0.000) 1.270 1.980 ( 1.526 0.000 0.000) 1.526 2.653 ( -8.002 -0.000 0.000) 8.002 3.019 ( -1.740 -0.000 0.000) 1.740 3.149 ( 7.899 0.000 0.000) 7.899 3.208 ( -14.901 -0.000 0.000) 14.901 3.369 ( -3.402 -0.000 0.000) 3.402 4.080 ( -3.010 -0.000 0.000) 3.010 4.090 ( 18.447 0.000 0.000) 18.447 4.369 ( 2.983 0.000 0.000) 2.983 4.431 ( 0.043 0.000 0.000) 0.043 4.663 ( -4.749 -0.000 0.000) 4.749 4.781 ( 1.651 0.000 0.000) 1.651 4.893 ( 2.173 0.000 0.000) 2.173 6.337 ( -0.584 -0.000 0.000) 0.584 6.478 ( 17.907 0.000 0.000) 17.907 6.725 ( -8.029 -0.000 0.000) 8.029 7.337 ( -20.433 -0.000 0.000) 20.433 8.765 ( 7.744 0.000 0.000) 7.744 8.972 ( 0.209 0.000 0.000) 0.209 8.984 ( 5.409 0.000 0.000) 5.409 9.745 ( 0.097 0.000 0.000) 0.097 ======================= Grid point 88 (49/196) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -0.000 -0.919 0.000) 0.919 0.826 ( 0.000 3.648 0.000) 3.648 0.922 ( -0.000 -2.205 0.000) 2.205 1.024 ( 0.000 0.128 0.000) 0.128 1.049 ( 0.000 4.132 0.000) 4.132 1.066 ( 0.000 0.093 0.000) 0.093 1.422 ( -0.000 -0.137 0.000) 0.137 1.602 ( -0.000 -2.705 0.000) 2.705 1.689 ( 0.000 7.411 0.000) 7.411 2.010 ( -0.000 -4.741 0.000) 4.741 2.579 ( -0.000 -1.679 0.000) 1.679 2.999 ( 0.000 1.150 0.000) 1.150 3.029 ( 0.000 2.491 0.000) 2.491 3.273 ( 0.000 0.274 0.000) 0.274 3.288 ( 0.000 0.152 0.000) 0.152 4.048 ( 0.000 0.820 0.000) 0.820 4.311 ( 0.000 0.107 0.000) 0.107 4.398 ( 0.000 0.133 0.000) 0.133 4.422 ( 0.000 2.929 0.000) 2.929 4.593 ( -0.000 -3.848 0.000) 3.848 4.797 ( 0.000 0.389 0.000) 0.389 4.915 ( -0.000 -0.282 0.000) 0.282 6.332 ( -0.000 -0.127 0.000) 0.127 6.644 ( -0.000 -0.018 0.000) 0.018 6.892 ( -0.000 -0.091 0.000) 0.091 6.897 ( -0.000 -0.494 0.000) 0.494 8.835 ( 0.000 2.523 0.000) 2.523 8.975 ( -0.000 -0.015 0.000) 0.015 9.044 ( -0.000 -1.822 0.000) 1.822 9.745 ( 0.000 0.014 0.000) 0.014 ======================= Grid point 175 (50/196) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 0.000 0.000 15.433) 15.433 0.365 ( 0.000 0.000 18.844) 18.844 0.838 ( 0.000 0.000 39.977) 39.977 0.980 ( 0.000 0.000 -2.141) 2.141 1.016 ( 0.000 0.000 0.391) 0.391 1.050 ( 0.000 0.000 -0.311) 0.311 1.176 ( 0.000 0.000 5.172) 5.172 1.527 ( 0.000 0.000 -1.394) 1.394 1.842 ( 0.000 0.000 -11.576) 11.576 2.278 ( 0.000 0.000 12.752) 12.752 2.611 ( 0.000 0.000 4.046) 4.046 2.704 ( 0.000 0.000 -3.026) 3.026 3.173 ( 0.000 0.000 -4.628) 4.628 3.496 ( 0.000 0.000 9.446) 9.446 3.612 ( 0.000 0.000 -13.950) 13.950 4.084 ( 0.000 0.000 6.240) 6.240 4.271 ( 0.000 0.000 0.761) 0.761 4.365 ( 0.000 0.000 -0.724) 0.724 4.480 ( 0.000 0.000 -2.359) 2.359 4.498 ( 0.000 0.000 -7.611) 7.611 5.053 ( 0.000 0.000 8.576) 8.576 6.106 ( 0.000 0.000 -10.181) 10.181 6.424 ( 0.000 0.000 4.924) 4.924 6.674 ( 0.000 0.000 1.900) 1.900 6.872 ( 0.000 0.000 -4.303) 4.303 6.887 ( 0.000 0.000 -1.467) 1.467 8.549 ( 0.000 0.000 1.915) 1.915 8.867 ( 0.000 0.000 -4.906) 4.906 9.108 ( 0.000 0.000 8.211) 8.211 9.711 ( 0.000 0.000 -3.374) 3.374 ======================= Grid point 176 (51/196) ======================= q-point: ( 0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 9.945 -3.150 9.639) 14.203 0.509 ( 12.737 0.715 12.748) 18.035 0.964 ( 2.783 -0.368 12.071) 12.393 0.985 ( 2.309 -3.075 6.868) 7.871 1.078 ( 2.205 0.609 14.795) 14.971 1.111 ( 8.334 -0.045 4.797) 9.616 1.167 ( 9.500 -1.943 -0.444) 9.707 1.568 ( 4.557 0.087 -1.824) 4.909 1.831 ( -0.346 1.793 -11.157) 11.306 2.290 ( 2.253 1.196 13.736) 13.971 2.708 ( -0.349 -2.366 -3.009) 3.843 2.781 ( 11.507 -1.275 0.850) 11.608 3.132 ( -3.278 -0.415 -2.566) 4.184 3.476 ( -1.324 1.362 7.245) 7.490 3.664 ( 2.197 -1.816 -13.108) 13.414 4.027 ( -1.316 1.205 6.367) 6.612 4.370 ( 4.070 1.961 -0.495) 4.545 4.372 ( 4.081 0.788 -0.342) 4.171 4.446 ( -1.811 5.496 -5.047) 7.678 4.508 ( 0.232 -3.417 -2.892) 4.483 5.029 ( -1.968 2.196 9.520) 9.966 5.252 ( -31.725 3.166 32.498) 45.526 6.276 ( -0.415 0.086 -7.174) 7.186 6.364 ( -18.817 -0.101 -2.012) 18.925 7.155 ( 17.167 2.780 -0.527) 17.398 7.638 ( 23.601 9.793 -19.796) 32.323 8.511 ( -4.029 -1.184 1.671) 4.520 8.840 ( -4.062 -2.717 -5.530) 7.380 9.097 ( -1.607 -1.323 8.190) 8.451 9.708 ( -0.203 -0.005 -3.417) 3.423 ======================= Grid point 177 (52/196) ======================= q-point: ( 0.15 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 7.967 -3.112 3.546) 9.259 0.767 ( 13.471 3.028 6.995) 15.478 0.925 ( -2.049 2.642 1.513) 3.670 1.002 ( -1.074 -2.265 4.453) 5.110 1.148 ( 4.965 -2.732 9.410) 10.985 1.339 ( 6.371 -0.947 -1.084) 6.532 1.491 ( 19.667 -3.886 10.868) 22.804 1.733 ( 12.658 1.402 -3.188) 13.129 1.818 ( 1.116 2.215 -9.763) 10.073 2.340 ( 3.778 3.291 15.927) 16.696 2.706 ( -2.120 -4.257 -3.279) 5.776 3.003 ( 10.403 0.303 5.565) 11.801 3.094 ( 0.021 -1.681 3.173) 3.591 3.439 ( -1.446 0.642 3.386) 3.737 3.630 ( -6.320 -0.353 -5.590) 8.445 4.092 ( 7.252 0.374 -0.221) 7.265 4.337 ( -2.335 7.719 -1.897) 8.285 4.398 ( -0.625 0.139 -4.215) 4.264 4.460 ( 2.133 3.791 -0.620) 4.394 4.560 ( 4.048 -2.316 -0.167) 4.667 4.909 ( -5.711 0.579 15.203) 16.251 4.992 ( -4.274 -0.494 10.885) 11.704 6.049 ( -13.098 -0.764 -3.566) 13.596 6.277 ( 0.322 -0.014 -8.154) 8.161 7.419 ( 11.988 5.132 0.715) 13.060 7.820 ( 4.309 5.885 -7.858) 10.721 8.414 ( -6.653 -1.362 1.014) 6.866 8.736 ( -7.938 -1.990 -5.372) 9.790 9.068 ( -1.643 -0.476 8.490) 8.661 9.703 ( -0.303 -0.031 -3.550) 3.563 ======================= Grid point 178 (53/196) ======================= q-point: ( 0.23 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 4.517 0.958 -0.591) 4.655 0.874 ( 0.191 2.500 1.231) 2.793 0.970 ( 6.037 2.648 4.179) 7.805 1.017 ( 2.902 -5.110 2.237) 6.288 1.252 ( 3.738 -2.223 7.807) 8.936 1.438 ( 4.668 0.959 -0.857) 4.841 1.690 ( 0.196 0.708 -5.067) 5.120 1.959 ( 13.223 0.958 1.675) 13.363 2.002 ( 13.165 -0.436 -3.308) 13.581 2.393 ( 4.642 5.470 16.551) 18.038 2.665 ( -4.313 -3.541 -1.331) 5.737 3.101 ( 3.010 -1.480 6.836) 7.615 3.214 ( 6.153 -0.565 9.195) 11.078 3.443 ( -0.362 1.141 -0.183) 1.211 3.475 ( -3.982 1.067 0.110) 4.124 4.197 ( 0.032 4.071 -4.491) 6.062 4.256 ( -0.209 4.959 -1.531) 5.194 4.367 ( -0.390 -0.219 -2.888) 2.923 4.478 ( 2.096 3.375 2.031) 4.462 4.647 ( 3.758 0.538 -1.161) 3.970 4.854 ( -1.523 -0.333 7.219) 7.386 4.911 ( -4.080 0.832 11.134) 11.887 5.882 ( -4.992 -2.192 -4.233) 6.902 6.286 ( 0.514 -0.162 -8.336) 8.353 7.557 ( 5.892 6.659 1.020) 8.950 7.816 ( -1.736 0.961 -3.187) 3.755 8.272 ( -8.276 -0.040 0.759) 8.311 8.573 ( -9.220 -1.173 -4.933) 10.522 9.043 ( -1.182 -0.226 8.323) 8.409 9.698 ( -0.324 -0.071 -3.706) 3.721 ======================= Grid point 179 (54/196) ======================= q-point: ( 0.31 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.063 2.152 0.287) 2.171 0.884 ( 0.322 1.010 1.195) 1.597 1.020 ( 2.129 1.460 1.167) 2.833 1.140 ( 3.501 -4.277 -2.396) 6.024 1.333 ( 5.173 -0.813 7.267) 8.957 1.507 ( 3.131 2.973 -1.626) 4.614 1.666 ( -1.155 -0.277 -3.396) 3.598 2.132 ( 4.982 2.971 4.533) 7.362 2.175 ( 4.480 1.193 -2.775) 5.403 2.453 ( 1.350 5.128 1.580) 5.534 2.626 ( 2.431 -0.542 10.624) 10.912 3.150 ( -2.485 -3.922 6.440) 7.939 3.261 ( 0.025 2.346 2.073) 3.131 3.322 ( 0.273 2.651 2.219) 3.468 3.629 ( 11.067 0.582 5.219) 12.250 4.070 ( -6.909 6.362 1.466) 9.505 4.228 ( -1.569 -0.760 -8.417) 8.596 4.410 ( 2.199 0.942 2.583) 3.521 4.493 ( 1.917 4.675 3.068) 5.911 4.697 ( 2.333 1.931 -0.743) 3.118 4.811 ( -3.305 1.362 8.183) 8.930 4.832 ( -3.157 1.345 6.698) 7.526 5.872 ( 1.799 -3.349 -4.460) 5.861 6.294 ( -0.054 -0.219 -8.069) 8.072 7.584 ( 1.128 5.571 0.591) 5.715 7.763 ( -3.672 -1.337 -1.851) 4.324 8.100 ( -8.723 1.937 1.171) 9.012 8.414 ( -7.444 -0.932 -4.879) 8.949 9.025 ( -0.817 -0.254 8.147) 8.192 9.692 ( -0.276 -0.098 -3.857) 3.868 ======================= Grid point 180 (55/196) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.044 0.860 0.378) 0.940 0.879 ( -0.026 0.232 3.329) 3.337 1.019 ( -1.119 3.074 -0.646) 3.335 1.168 ( -1.240 -1.544 -1.737) 2.634 1.495 ( 9.599 -2.395 1.787) 10.053 1.533 ( 2.009 2.598 -1.430) 3.582 1.656 ( -0.468 -1.064 -0.341) 1.212 2.136 ( -1.842 3.436 6.043) 7.192 2.199 ( -0.719 0.992 -3.690) 3.888 2.361 ( -4.881 5.327 1.013) 7.296 2.752 ( 7.787 1.954 10.852) 13.498 3.059 ( -5.112 -0.383 -2.551) 5.726 3.253 ( 1.322 3.450 -0.609) 3.745 3.403 ( 4.760 -1.597 6.130) 7.924 3.768 ( -0.286 3.903 -2.057) 4.421 3.962 ( 2.764 -0.254 13.735) 14.012 4.220 ( 0.085 -0.929 -7.442) 7.501 4.389 ( -3.128 1.936 4.211) 5.592 4.512 ( 2.519 4.235 4.571) 6.721 4.716 ( -0.417 1.877 2.899) 3.479 4.725 ( -3.122 1.470 7.849) 8.574 4.770 ( -2.182 2.000 2.578) 3.925 5.966 ( 5.306 -3.246 -4.593) 7.732 6.279 ( -1.621 -0.012 -7.341) 7.518 7.567 ( 0.234 2.801 -0.375) 2.836 7.693 ( -4.139 -1.355 -1.876) 4.742 7.929 ( -7.048 2.680 1.971) 7.794 8.303 ( -4.466 -0.646 -5.105) 6.814 9.014 ( -0.474 -0.249 8.076) 8.094 9.688 ( -0.179 -0.088 -3.975) 3.980 ======================= Grid point 181 (56/196) ======================= q-point: ( 0.46 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.383 -0.008 2.167) 2.201 0.882 ( 0.180 -0.143 3.846) 3.853 0.961 ( -2.118 2.182 -0.871) 3.164 1.151 ( -0.641 -0.321 -1.229) 1.423 1.556 ( 1.637 1.430 -1.387) 2.578 1.614 ( -0.384 -0.783 -2.079) 2.255 1.744 ( 9.073 -3.059 0.356) 9.582 2.015 ( -7.893 2.276 -1.109) 8.289 2.181 ( -0.103 0.796 3.239) 3.337 2.265 ( -1.902 2.883 5.157) 6.207 2.855 ( 3.297 1.120 9.076) 9.721 2.995 ( -1.656 -0.145 -6.858) 7.057 3.270 ( 1.757 2.152 -7.509) 8.006 3.465 ( 0.592 -0.454 7.302) 7.340 3.677 ( -3.129 0.341 4.764) 5.710 4.106 ( 7.859 -0.358 12.059) 14.398 4.225 ( -1.131 -1.330 0.431) 1.798 4.296 ( -4.248 1.999 -1.001) 4.800 4.534 ( 1.449 2.102 7.817) 8.223 4.642 ( -2.686 0.172 3.959) 4.787 4.716 ( 0.075 1.008 5.137) 5.235 4.733 ( -0.767 0.832 2.203) 2.477 6.085 ( 4.548 -1.757 -4.720) 6.786 6.231 ( -2.800 0.437 -6.619) 7.200 7.572 ( 1.220 1.106 -1.298) 2.097 7.629 ( -2.774 -0.968 -2.143) 3.636 7.817 ( -2.859 1.294 2.643) 4.103 8.247 ( -1.487 -0.206 -5.336) 5.543 9.009 ( -0.152 -0.106 8.067) 8.069 9.686 ( -0.061 -0.036 -4.038) 4.038 ======================= Grid point 189 (57/196) ======================= q-point: ( 0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 8.909 0.000 3.563) 9.595 0.788 ( 13.906 0.000 6.435) 15.323 0.948 ( -1.934 -0.000 -1.172) 2.262 0.981 ( -1.599 -0.000 7.720) 7.884 1.130 ( 4.773 0.000 11.372) 12.333 1.333 ( 6.855 0.000 -1.151) 6.951 1.469 ( 20.869 0.000 10.553) 23.385 1.741 ( 12.557 0.000 -3.177) 12.953 1.830 ( 0.401 0.000 -10.171) 10.179 2.361 ( 4.248 0.000 16.459) 16.999 2.679 ( -1.989 -0.000 -4.004) 4.471 3.006 ( 11.792 0.000 6.078) 13.267 3.084 ( -1.139 -0.000 2.094) 2.384 3.443 ( -1.738 -0.000 3.578) 3.978 3.628 ( -5.709 -0.000 -6.608) 8.732 4.094 ( 7.280 0.000 -0.204) 7.283 4.384 ( -0.073 -0.000 -3.279) 3.280 4.393 ( -3.986 -0.000 -6.647) 7.751 4.500 ( -0.099 -0.000 1.600) 1.603 4.534 ( 7.297 0.000 -1.463) 7.442 4.912 ( -7.648 -0.000 18.375) 19.903 4.988 ( -3.109 -0.000 10.084) 10.553 6.045 ( -13.338 -0.000 -3.437) 13.773 6.277 ( 0.283 0.000 -8.165) 8.170 7.448 ( 11.918 0.000 0.438) 11.926 7.857 ( 1.838 0.000 -8.701) 8.893 8.406 ( -6.253 -0.000 0.838) 6.309 8.723 ( -7.371 -0.000 -5.035) 8.926 9.065 ( -1.409 -0.000 8.502) 8.618 9.703 ( -0.309 -0.000 -3.545) 3.559 ======================= Grid point 190 (58/196) ======================= q-point: ( 0.15 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 7.558 0.457 -2.958) 8.129 0.900 ( -1.948 1.920 -0.010) 2.735 0.963 ( -0.787 -2.976 5.915) 6.668 1.003 ( 8.312 1.428 2.701) 8.856 1.231 ( 4.852 -1.174 9.328) 10.580 1.446 ( 5.469 0.348 -0.817) 5.540 1.695 ( 0.614 0.238 -4.310) 4.360 1.968 ( 14.130 0.488 1.339) 14.202 1.997 ( 12.458 -0.380 -4.306) 13.187 2.445 ( 5.343 2.913 19.329) 20.265 2.629 ( -3.742 -2.198 -3.679) 5.689 3.089 ( 1.387 -0.543 7.246) 7.397 3.209 ( 7.331 -0.216 9.625) 12.100 3.452 ( 3.976 0.408 0.896) 4.096 3.484 ( -7.446 0.412 -2.080) 7.742 4.216 ( 2.483 0.504 -6.587) 7.058 4.315 ( -4.621 3.872 -2.449) 6.507 4.358 ( 0.521 -1.165 -2.011) 2.382 4.507 ( 1.729 1.469 2.379) 3.287 4.652 ( 4.715 0.313 -3.112) 5.658 4.848 ( -0.960 -0.471 9.573) 9.632 4.918 ( -3.989 0.292 11.083) 11.782 5.865 ( -5.334 -0.760 -3.965) 6.690 6.285 ( 0.476 -0.063 -8.390) 8.404 7.612 ( 5.772 2.603 0.525) 6.353 7.822 ( -3.951 0.239 -2.905) 4.910 8.273 ( -7.448 0.067 0.418) 7.460 8.563 ( -8.879 -0.526 -4.815) 10.114 9.041 ( -1.136 -0.092 8.305) 8.383 9.697 ( -0.331 -0.025 -3.710) 3.725 ======================= Grid point 191 (59/196) ======================= q-point: ( 0.23 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -0.983 2.410 -0.554) 2.661 0.892 ( -0.025 0.438 1.297) 1.369 1.017 ( 3.641 -1.801 -2.172) 4.606 1.109 ( 3.380 -1.119 -0.275) 3.571 1.328 ( 5.395 -0.172 8.400) 9.985 1.536 ( 3.835 1.940 -1.293) 4.488 1.662 ( -2.065 -0.332 -4.071) 4.577 2.159 ( 5.665 1.860 1.323) 6.108 2.181 ( 4.706 -0.000 -1.979) 5.106 2.509 ( -0.724 4.417 1.397) 4.688 2.614 ( 5.517 -1.500 13.807) 14.944 3.113 ( -1.302 -2.418 7.372) 7.867 3.275 ( 1.292 0.558 3.285) 3.573 3.356 ( -2.056 2.598 0.665) 3.379 3.631 ( 11.652 -0.022 6.301) 13.246 4.132 ( -9.272 4.188 -1.009) 10.224 4.218 ( -1.695 -0.887 -8.285) 8.503 4.419 ( 2.359 0.501 2.772) 3.674 4.535 ( 2.090 2.655 2.503) 4.205 4.717 ( 2.614 1.332 -2.515) 3.865 4.825 ( -2.807 1.110 8.631) 9.144 4.840 ( -3.001 0.135 7.929) 8.479 5.842 ( 1.792 -1.826 -4.110) 4.841 6.292 ( -0.010 -0.123 -8.185) 8.186 7.643 ( -0.108 4.615 0.078) 4.616 7.741 ( -4.356 -2.287 -1.350) 5.102 8.118 ( -8.074 1.196 0.793) 8.201 8.405 ( -7.301 -0.588 -4.757) 8.733 9.023 ( -0.818 -0.148 8.139) 8.181 9.691 ( -0.273 -0.054 -3.875) 3.885 ======================= Grid point 192 (60/196) ======================= q-point: ( 0.31 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -0.579 0.897 -0.085) 1.071 0.881 ( -0.398 0.118 3.579) 3.603 1.047 ( -0.741 1.793 -3.533) 4.031 1.149 ( -0.106 -1.703 -1.795) 2.476 1.474 ( 9.338 -1.193 3.703) 10.116 1.565 ( 1.253 2.716 -1.402) 3.304 1.643 ( -0.557 -1.145 -0.478) 1.360 2.169 ( -2.831 2.238 5.491) 6.571 2.206 ( -0.944 0.366 -4.329) 4.445 2.413 ( -5.087 3.608 1.402) 6.392 2.771 ( 7.883 1.398 11.872) 14.319 3.054 ( -4.028 -0.413 -1.123) 4.202 3.285 ( 0.813 1.835 -1.259) 2.369 3.394 ( 4.734 0.092 6.374) 7.940 3.805 ( 0.358 2.510 -0.532) 2.590 3.959 ( -0.324 -0.196 11.703) 11.709 4.210 ( -0.015 -0.825 -6.980) 7.029 4.407 ( -2.830 1.175 4.384) 5.349 4.556 ( 1.804 3.315 3.410) 5.087 4.731 ( -3.860 0.813 6.207) 7.355 4.744 ( -0.537 1.691 2.816) 3.328 4.788 ( -2.487 1.215 4.147) 4.986 5.934 ( 5.946 -2.190 -4.288) 7.651 6.279 ( -1.456 -0.026 -7.505) 7.645 7.598 ( -1.225 2.567 -0.683) 2.925 7.675 ( -3.927 -1.701 -1.572) 4.560 7.956 ( -7.290 2.008 1.625) 7.734 8.296 ( -4.214 -0.487 -4.926) 6.501 9.012 ( -0.426 -0.182 8.060) 8.074 9.687 ( -0.158 -0.061 -3.998) 4.002 ======================= Grid point 193 (61/196) ======================= q-point: ( 0.38 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.168 0.189 1.776) 1.793 0.880 ( 0.151 -0.203 3.864) 3.872 0.984 ( -3.619 1.938 -1.968) 4.553 1.147 ( -0.206 -0.432 -1.242) 1.331 1.570 ( 0.007 0.978 -1.343) 1.661 1.607 ( 0.815 -0.390 -2.090) 2.277 1.717 ( 9.965 -1.616 1.201) 10.166 2.044 ( -7.830 2.750 -0.603) 8.320 2.174 ( -2.303 -1.714 2.602) 3.874 2.299 ( -4.122 2.706 4.928) 6.971 2.865 ( 2.092 0.714 9.137) 9.400 3.002 ( -0.835 1.249 -6.447) 6.620 3.282 ( -1.137 -0.115 -7.578) 7.664 3.471 ( 2.583 1.613 7.598) 8.185 3.674 ( -5.275 -0.793 4.815) 7.186 4.103 ( 8.505 -0.216 12.236) 14.903 4.210 ( -1.233 -1.231 0.390) 1.785 4.317 ( -4.742 1.743 -0.917) 5.134 4.559 ( -0.301 2.402 7.267) 7.660 4.641 ( -3.326 -0.437 4.081) 5.283 4.727 ( -0.997 0.877 4.364) 4.562 4.741 ( -1.684 0.559 2.784) 3.301 6.068 ( 6.037 -1.165 -4.580) 7.667 6.235 ( -2.859 0.182 -6.713) 7.298 7.582 ( 0.067 0.744 -1.390) 1.578 7.617 ( -2.072 -0.962 -2.010) 3.043 7.832 ( -4.006 1.332 2.435) 4.874 8.245 ( -1.233 -0.149 -5.239) 5.384 9.008 ( -0.042 -0.092 8.056) 8.057 9.686 ( -0.023 -0.030 -4.049) 4.049 ======================= Grid point 194 (62/196) ======================= q-point: (-0.54 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -0.451 0.233 2.614) 2.662 0.883 ( -0.111 0.058 3.897) 3.899 0.937 ( -0.179 -1.953 -0.084) 1.963 1.154 ( 0.971 0.197 -1.213) 1.566 1.540 ( -2.831 -1.412 -1.562) 3.528 1.625 ( 1.114 1.035 -2.162) 2.643 1.786 ( -7.577 4.446 -0.257) 8.789 1.992 ( 7.599 -1.727 -1.483) 7.933 2.149 ( -1.710 -4.695 3.515) 6.109 2.243 ( -0.954 -1.126 5.567) 5.759 2.840 ( -4.702 -1.589 9.271) 10.516 3.007 ( 2.095 1.914 -7.349) 7.878 3.237 ( -3.574 -3.470 -7.624) 9.107 3.479 ( -0.089 1.876 7.199) 7.440 3.666 ( 2.029 -1.586 4.921) 5.554 4.111 ( -7.423 0.453 12.024) 14.138 4.238 ( 0.812 1.045 -0.578) 1.444 4.274 ( 3.693 -1.624 -0.282) 4.044 4.512 ( -3.350 -1.636 7.830) 8.672 4.638 ( 2.155 -0.451 4.397) 4.917 4.705 ( -1.103 -0.931 5.153) 5.351 4.723 ( -0.249 -0.912 2.234) 2.425 6.108 ( -3.042 2.230 -4.954) 6.227 6.224 ( 2.827 -0.861 -6.427) 7.074 7.558 ( -1.928 -1.226 -1.236) 2.598 7.638 ( 3.063 0.601 -2.199) 3.818 7.804 ( 1.563 -0.810 2.790) 3.299 8.250 ( 1.734 0.219 -5.424) 5.698 9.010 ( 0.267 0.095 8.076) 8.081 9.687 ( 0.102 0.034 -4.026) 4.027 ======================= Grid point 195 (63/196) ======================= q-point: (-0.46 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -0.487 -0.503 1.124) 1.324 0.876 ( -0.595 -0.485 2.978) 3.075 0.978 ( 1.112 -4.075 2.121) 4.726 1.182 ( 2.070 0.909 -1.161) 2.541 1.492 ( -3.564 -2.661 -1.784) 4.792 1.544 ( -8.324 4.380 0.017) 9.406 1.669 ( -0.091 1.299 -0.167) 1.313 2.090 ( -0.349 -4.815 6.899) 8.421 2.185 ( 1.254 -1.373 -3.156) 3.663 2.296 ( 5.065 -5.731 0.340) 7.656 2.727 ( -7.518 -2.493 10.157) 12.880 3.062 ( 4.626 0.202 -4.050) 6.152 3.214 ( -0.785 -3.152 -0.510) 3.288 3.427 ( -4.359 2.460 5.892) 7.731 3.720 ( -0.433 -4.334 -2.777) 5.165 3.964 ( -5.007 0.074 14.971) 15.786 4.228 ( -0.309 0.173 -8.009) 8.017 4.365 ( 3.040 -2.187 4.878) 6.150 4.465 ( -3.168 -3.749 5.110) 7.086 4.693 ( -0.942 -1.999 3.092) 3.801 4.709 ( 3.884 -1.277 8.996) 9.881 4.744 ( 1.583 -2.476 1.614) 3.353 6.006 ( -4.570 3.732 -4.980) 7.722 6.279 ( 1.876 -0.099 -7.104) 7.348 7.536 ( -1.596 -2.732 -0.100) 3.166 7.705 ( 3.999 0.783 -2.160) 4.612 7.898 ( 6.778 -2.538 2.385) 7.620 8.310 ( 4.718 0.640 -5.306) 7.129 9.017 ( 0.530 0.254 8.095) 8.117 9.689 ( 0.205 0.096 -3.947) 3.953 ======================= Grid point 196 (64/196) ======================= q-point: (-0.38 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -0.326 -1.044 1.259) 1.668 0.868 ( -1.068 -1.821 1.235) 2.446 0.991 ( -1.968 -3.171 3.758) 5.296 1.192 ( -1.294 4.148 -2.830) 5.186 1.351 ( -5.865 2.566 5.120) 8.197 1.472 ( -2.630 -3.058 -1.384) 4.264 1.668 ( 0.247 0.144 -2.944) 2.958 2.089 ( -3.294 -4.644 7.404) 9.339 2.155 ( -5.086 -2.105 -1.658) 5.748 2.398 ( -1.539 -4.415 -1.410) 4.884 2.627 ( -0.555 -0.274 9.026) 9.047 3.191 ( 7.272 1.404 2.224) 7.733 3.223 ( -0.203 -2.430 3.862) 4.567 3.309 ( -4.701 0.340 3.537) 5.893 3.615 ( -10.045 -1.981 2.912) 10.645 3.995 ( 3.921 -6.547 5.418) 9.359 4.234 ( 0.974 0.119 -8.036) 8.095 4.397 ( -1.805 -1.352 2.477) 3.349 4.434 ( -1.736 -5.170 3.594) 6.531 4.676 ( -1.713 -1.724 0.611) 2.506 4.793 ( 3.200 -1.866 6.071) 7.112 4.811 ( 3.728 -2.156 7.483) 8.634 5.916 ( -1.769 4.282 -4.922) 6.760 6.296 ( 0.104 0.233 -7.906) 7.910 7.519 ( -2.927 -5.670 1.111) 6.477 7.772 ( 2.858 0.293 -2.331) 3.700 8.076 ( 9.715 -2.007 1.656) 10.058 8.425 ( 7.566 0.973 -5.033) 9.140 9.028 ( 0.809 0.294 8.160) 8.205 9.693 ( 0.279 0.122 -3.832) 3.844 ======================= Grid point 197 (65/196) ======================= q-point: (-0.31 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -1.463 -0.416 1.805) 2.360 0.841 ( -3.025 -3.245 1.999) 4.866 0.944 ( -4.626 -1.813 4.336) 6.594 1.083 ( -3.961 6.282 -0.122) 7.427 1.276 ( -2.856 1.930 6.489) 7.348 1.425 ( -3.398 -1.407 -0.904) 3.787 1.678 ( 0.007 -1.298 -6.154) 6.289 1.949 ( -12.373 -0.685 2.708) 12.684 2.003 ( -12.738 -0.583 -1.791) 12.876 2.330 ( -4.325 -5.395 14.440) 16.011 2.702 ( 5.889 2.883 -0.296) 6.564 3.121 ( -5.570 1.963 5.708) 8.214 3.221 ( -4.236 0.717 8.444) 9.474 3.426 ( 7.970 -1.722 0.169) 8.156 3.461 ( -2.052 -1.248 1.677) 2.930 4.108 ( 2.009 -10.155 1.849) 10.516 4.226 ( -3.770 -1.218 -3.642) 5.381 4.365 ( 0.353 -0.546 -3.104) 3.171 4.435 ( -1.533 -3.939 1.711) 4.560 4.642 ( -2.505 -0.216 0.199) 2.522 4.851 ( 1.911 -1.119 4.793) 5.280 4.900 ( 4.399 -1.155 11.291) 12.173 5.914 ( 4.396 3.335 -4.693) 7.244 6.288 ( -0.596 0.188 -8.254) 8.278 7.469 ( -6.937 -8.526 1.724) 11.126 7.801 ( -0.622 -1.666 -3.514) 3.939 8.275 ( 9.760 0.386 1.170) 9.838 8.587 ( 9.492 1.166 -5.026) 10.804 9.046 ( 1.205 0.257 8.343) 8.433 9.699 ( 0.310 0.102 -3.700) 3.714 ======================= Grid point 198 (66/196) ======================= q-point: (-0.23 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -6.823 2.324 5.049) 8.800 0.745 ( -9.596 0.863 5.507) 11.098 0.898 ( 1.253 -1.907 2.102) 3.103 1.026 ( -0.425 1.959 2.401) 3.128 1.179 ( -5.549 2.269 6.245) 8.657 1.352 ( -5.474 1.057 -1.035) 5.670 1.554 ( -15.523 6.952 10.303) 19.885 1.710 ( -12.750 -2.537 -3.356) 13.426 1.782 ( -3.577 -3.781 -7.952) 9.505 2.297 ( -2.653 -3.960 15.530) 16.245 2.765 ( 2.720 5.729 -2.336) 6.758 3.002 ( -8.018 0.066 5.096) 9.500 3.118 ( -1.705 2.389 5.288) 6.048 3.430 ( 0.693 -0.942 2.797) 3.032 3.634 ( 7.822 0.390 -2.833) 8.329 4.083 ( -7.256 -1.561 0.077) 7.422 4.219 ( 0.328 -11.607 4.002) 12.282 4.389 ( -0.467 -1.280 -2.439) 2.794 4.431 ( -0.108 -1.734 -3.817) 4.193 4.582 ( -2.750 1.824 0.226) 3.308 4.897 ( 2.879 -1.605 10.406) 10.916 4.996 ( 5.531 -0.003 11.486) 12.749 6.062 ( 12.441 1.520 -3.935) 13.137 6.277 ( -0.438 -0.022 -8.137) 8.149 7.334 ( -12.430 -9.346 1.443) 15.618 7.745 ( -8.327 -6.383 -6.471) 12.327 8.437 ( 7.661 2.609 1.242) 8.188 8.759 ( 8.632 1.923 -5.692) 10.516 9.074 ( 2.042 0.479 8.463) 8.719 9.704 ( 0.284 0.055 -3.565) 3.577 ======================= Grid point 199 (67/196) ======================= q-point: (-0.15 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -10.101 2.469 11.536) 15.530 0.544 ( -8.574 7.954 7.148) 13.706 0.956 ( 2.388 -1.576 2.298) 3.670 1.017 ( -0.452 0.211 3.216) 3.254 1.073 ( -3.259 0.062 8.039) 8.675 1.140 ( -13.242 4.851 10.937) 17.847 1.209 ( -11.594 6.441 8.432) 15.717 1.564 ( -2.802 -0.724 -1.951) 3.490 1.792 ( -0.081 -4.932 -11.263) 12.296 2.270 ( -1.405 -1.869 13.618) 13.817 2.752 ( -0.810 4.816 -1.500) 5.109 2.812 ( -8.862 4.373 1.655) 10.020 3.141 ( 3.311 1.032 -1.570) 3.807 3.451 ( -0.026 -2.789 6.933) 7.473 3.698 ( -0.182 3.489 -9.666) 10.278 3.994 ( -2.468 -5.137 10.504) 11.950 4.284 ( -0.960 -10.551 5.590) 11.979 4.371 ( -0.881 -0.058 -1.252) 1.532 4.409 ( -2.484 -1.001 -4.276) 5.046 4.541 ( -0.319 2.624 -3.347) 4.265 4.985 ( 2.724 -5.087 11.564) 12.924 5.199 ( 19.413 -5.229 24.982) 32.067 6.274 ( 0.211 -0.243 -7.375) 7.382 6.366 ( 18.810 0.367 -2.314) 18.955 7.092 ( -17.455 -8.037 0.099) 19.217 7.491 ( -26.044 -12.382 -11.235) 30.949 8.537 ( 4.317 3.283 1.630) 5.663 8.877 ( 4.648 2.874 -6.241) 8.295 9.119 ( 3.006 2.000 6.914) 7.800 9.708 ( 0.191 0.013 -3.439) 3.444 ======================= Grid point 200 (68/196) ======================= q-point: (-0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 0.000 8.193 12.557) 14.994 0.380 ( 0.000 3.553 16.592) 16.968 0.913 ( 0.000 11.847 35.783) 37.693 0.981 ( 0.000 0.084 -2.142) 2.143 1.015 ( -0.000 -0.034 0.417) 0.418 1.050 ( 0.000 0.073 -0.307) 0.315 1.129 ( -0.000 -6.862 7.304) 10.022 1.548 ( 0.000 2.507 -3.410) 4.232 1.818 ( -0.000 -3.964 -11.593) 12.252 2.271 ( -0.000 -0.821 12.405) 12.432 2.636 ( 0.000 4.236 3.966) 5.803 2.733 ( 0.000 4.822 -2.106) 5.262 3.179 ( 0.000 0.905 -4.416) 4.508 3.466 ( -0.000 -4.097 8.764) 9.674 3.651 ( 0.000 5.556 -12.013) 13.236 4.034 ( -0.000 -9.416 14.331) 17.147 4.275 ( 0.000 0.600 0.730) 0.945 4.366 ( 0.000 0.268 -0.720) 0.769 4.417 ( -0.000 -7.849 -2.634) 8.279 4.524 ( 0.000 2.474 -4.601) 5.223 5.033 ( -0.000 -3.391 9.206) 9.811 5.823 ( -0.000 -43.375 24.680) 49.905 6.311 ( -0.000 -5.924 -0.306) 5.932 6.673 ( -0.000 -0.162 1.900) 1.907 6.887 ( -0.000 -0.039 -1.477) 1.477 6.902 ( 0.000 1.525 -7.443) 7.598 8.563 ( 0.000 2.445 1.868) 3.077 8.904 ( 0.000 3.824 -6.574) 7.605 9.138 ( 0.000 4.092 5.013) 6.471 9.710 ( -0.000 -0.007 -3.379) 3.379 ======================= Grid point 203 (69/196) ======================= q-point: ( 0.15 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -2.065 -0.000 -0.937) 2.268 0.894 ( -0.141 -0.000 1.419) 1.426 1.001 ( 5.443 0.000 -3.196) 6.312 1.105 ( 2.608 0.000 0.316) 2.627 1.327 ( 5.612 0.000 8.796) 10.434 1.547 ( 4.250 0.000 -1.007) 4.368 1.660 ( -2.555 -0.000 -4.468) 5.146 2.174 ( 5.644 0.000 -5.732) 8.044 2.176 ( 5.093 0.000 4.325) 6.682 2.540 ( -4.593 -0.000 -2.535) 5.246 2.600 ( 9.728 0.000 18.746) 21.119 3.099 ( -1.044 -0.000 7.587) 7.659 3.278 ( 1.416 0.000 3.624) 3.891 3.372 ( -2.432 -0.000 0.280) 2.449 3.631 ( 11.862 0.000 6.578) 13.563 4.158 ( -10.844 -0.000 -1.762) 10.986 4.211 ( -1.027 -0.000 -8.263) 8.326 4.422 ( 2.414 0.000 2.851) 3.736 4.551 ( 2.141 0.000 2.303) 3.144 4.725 ( 2.649 0.000 -3.448) 4.348 4.834 ( -1.029 -0.000 7.095) 7.169 4.837 ( -4.436 -0.000 10.339) 11.251 5.831 ( 1.783 0.000 -3.978) 4.359 6.291 ( 0.008 0.000 -8.227) 8.227 7.677 ( 0.404 0.000 -0.196) 0.449 7.721 ( -5.571 -0.000 -1.080) 5.674 8.125 ( -7.860 -0.000 0.652) 7.887 8.401 ( -7.233 -0.000 -4.710) 8.631 9.022 ( -0.818 -0.000 8.137) 8.178 9.691 ( -0.272 -0.000 -3.881) 3.891 ======================= Grid point 204 (70/196) ======================= q-point: ( 0.23 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -1.125 0.401 -0.248) 1.220 0.882 ( -0.571 0.037 3.717) 3.761 1.060 ( -0.135 0.593 -6.114) 6.144 1.134 ( 0.544 -0.779 -0.892) 1.303 1.466 ( 8.898 -0.285 4.604) 10.023 1.591 ( 0.787 1.602 -1.187) 2.143 1.630 ( -0.428 -0.998 -0.605) 1.243 2.187 ( -2.627 0.926 6.420) 6.998 2.208 ( -1.763 -0.073 -5.926) 6.183 2.441 ( -5.380 1.245 1.497) 5.722 2.783 ( 7.912 0.556 12.746) 15.012 3.051 ( -2.908 -0.186 -0.460) 2.950 3.295 ( 0.340 0.277 -1.046) 1.134 3.400 ( 4.523 0.530 5.853) 7.416 3.824 ( 1.559 0.820 0.910) 1.982 3.958 ( -2.934 -0.054 9.979) 10.402 4.203 ( -0.064 -0.316 -6.795) 6.803 4.416 ( -2.618 0.391 4.647) 5.348 4.583 ( 1.511 1.252 2.580) 3.241 4.736 ( -4.701 0.239 7.035) 8.465 4.758 ( -0.419 0.694 0.434) 0.920 4.797 ( -2.559 0.384 5.720) 6.278 5.917 ( 6.317 -0.772 -4.118) 7.580 6.279 ( -1.375 -0.008 -7.588) 7.711 7.625 ( -2.659 1.902 -1.007) 3.421 7.655 ( -3.206 -1.615 -1.261) 3.805 7.972 ( -7.433 0.740 1.436) 7.606 8.292 ( -4.051 -0.182 -4.819) 6.298 9.010 ( -0.399 -0.067 8.051) 8.061 9.687 ( -0.147 -0.022 -4.012) 4.014 ======================= Grid point 205 (71/196) ======================= q-point: ( 0.31 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -0.029 0.198 1.479) 1.492 0.878 ( 0.087 -0.163 3.934) 3.938 1.003 ( -4.430 1.179 -2.977) 5.466 1.142 ( 0.256 -0.356 -1.194) 1.272 1.578 ( -1.586 0.397 -1.368) 2.132 1.605 ( 2.196 -0.118 -2.188) 3.102 1.705 ( 10.322 -0.535 1.999) 10.528 2.077 ( -7.265 3.081 0.106) 7.892 2.147 ( -4.443 -2.780 1.660) 5.497 2.323 ( -5.514 1.358 4.826) 7.452 2.872 ( 1.253 0.465 9.602) 9.695 3.018 ( 0.115 1.321 -6.505) 6.639 3.273 ( -3.371 -1.101 -7.116) 7.951 3.495 ( 4.759 2.137 7.322) 8.991 3.662 ( -7.965 -1.182 4.998) 9.478 4.101 ( 9.109 -0.093 12.405) 15.391 4.198 ( -1.315 -0.744 0.103) 1.514 4.333 ( -4.955 0.993 -0.601) 5.089 4.587 ( -1.385 2.344 6.061) 6.644 4.631 ( -4.003 -1.191 4.903) 6.441 4.735 ( -1.842 0.545 2.883) 3.465 4.745 ( -2.290 0.230 4.044) 4.653 6.059 ( 7.136 -0.568 -4.515) 8.463 6.236 ( -2.955 0.059 -6.744) 7.363 7.588 ( -1.770 0.305 -1.545) 2.369 7.609 ( -0.611 -0.539 -1.822) 1.996 7.845 ( -4.754 0.833 2.273) 5.335 8.244 ( -1.040 -0.076 -5.161) 5.266 9.007 ( 0.038 -0.054 8.047) 8.047 9.686 ( 0.003 -0.017 -4.057) 4.057 ======================= Grid point 206 (72/196) ======================= q-point: (-0.62 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.215 0.311 3.069) 3.092 0.883 ( 0.091 -0.004 3.995) 3.996 0.918 ( -2.923 -1.339 0.212) 3.222 1.156 ( 1.220 0.107 -1.223) 1.731 1.526 ( -3.637 -0.984 -1.779) 4.167 1.636 ( 1.609 0.915 -2.279) 2.937 1.844 ( -5.293 5.499 -0.756) 7.669 1.976 ( 6.924 -1.264 -1.951) 7.304 2.085 ( -3.944 -6.123 4.038) 8.328 2.234 ( -3.056 -0.543 5.884) 6.652 2.822 ( -6.152 -1.409 9.646) 11.527 3.035 ( 2.431 2.882 -7.884) 8.739 3.196 ( -4.380 -3.648 -8.178) 9.968 3.504 ( -1.005 2.456 7.728) 8.171 3.643 ( 2.150 -2.418 5.160) 6.091 4.116 ( -7.157 0.383 12.223) 14.169 4.247 ( -0.948 0.419 -5.233) 5.335 4.261 ( 4.507 -0.720 3.679) 5.862 4.497 ( -5.006 -1.079 7.610) 9.173 4.633 ( 1.863 -0.391 5.165) 5.504 4.696 ( -1.888 -0.667 4.555) 4.976 4.713 ( -1.127 -0.714 2.706) 3.017 6.135 ( -1.943 2.428 -5.296) 6.141 6.211 ( 3.006 -1.386 -6.115) 6.953 7.545 ( -2.357 -0.973 -1.188) 2.813 7.642 ( 3.111 0.194 -2.153) 3.788 7.798 ( 0.509 -0.288 2.806) 2.866 8.252 ( 1.920 0.169 -5.486) 5.814 9.011 ( 0.361 0.064 8.081) 8.089 9.687 ( 0.137 0.024 -4.016) 4.018 ======================= Grid point 207 (73/196) ======================= q-point: (-0.54 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -0.875 -0.044 1.974) 2.160 0.866 ( -1.538 -1.341 2.648) 3.343 0.932 ( 1.075 -3.573 4.503) 5.848 1.190 ( 2.358 0.447 -0.787) 2.526 1.463 ( -3.582 -2.358 -1.915) 4.697 1.602 ( -7.037 5.345 -1.691) 8.997 1.687 ( -1.872 1.994 0.185) 2.741 2.027 ( -2.654 -6.107 7.268) 9.857 2.170 ( 1.985 -1.172 -2.180) 3.173 2.236 ( 5.451 -4.729 -0.378) 7.226 2.697 ( -7.017 -2.620 9.750) 12.295 3.064 ( 1.939 0.103 -4.355) 4.768 3.184 ( 1.278 -2.032 -2.088) 3.182 3.456 ( -3.302 2.515 6.008) 7.302 3.674 ( -1.866 -3.561 -2.746) 4.868 3.963 ( -6.505 -0.264 15.075) 16.420 4.220 ( -0.918 -1.473 -6.932) 7.147 4.346 ( 2.444 -0.835 5.521) 6.095 4.429 ( -3.134 -2.653 4.314) 5.956 4.673 ( -1.051 -1.337 3.619) 3.999 4.696 ( 3.775 -1.040 9.398) 10.181 4.715 ( 0.754 -2.439 1.186) 2.815 6.048 ( -3.945 3.446 -5.393) 7.518 6.277 ( 2.213 -0.295 -6.818) 7.174 7.507 ( -2.703 -2.235 0.126) 3.509 7.710 ( 3.686 0.142 -2.328) 4.362 7.874 ( 6.538 -1.721 2.699) 7.279 8.317 ( 4.910 0.499 -5.480) 7.375 9.020 ( 0.581 0.204 8.113) 8.137 9.690 ( 0.231 0.082 -3.920) 3.928 ======================= Grid point 208 (74/196) ======================= q-point: (-0.46 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.041 -0.135 1.982) 1.987 0.843 ( -2.042 -2.503 1.870) 3.733 0.955 ( -1.103 -3.003 5.186) 6.094 1.226 ( 0.940 1.758 -1.517) 2.505 1.388 ( -5.909 2.816 0.561) 6.570 1.446 ( -3.468 -0.192 0.833) 3.571 1.669 ( -0.761 -0.070 -2.824) 2.926 2.027 ( -1.534 -6.142 9.317) 11.264 2.130 ( -5.578 -2.266 0.755) 6.068 2.354 ( -0.969 -3.183 -5.197) 6.171 2.621 ( 0.897 -0.653 8.103) 8.178 3.153 ( 6.010 -4.646 0.477) 7.612 3.236 ( 3.466 1.344 3.865) 5.363 3.332 ( -7.155 3.761 3.583) 8.842 3.583 ( -8.612 -3.592 -0.070) 9.331 3.928 ( 0.694 -5.000 9.996) 11.199 4.226 ( 0.332 -1.627 -5.852) 6.083 4.375 ( -0.355 -2.793 3.690) 4.641 4.390 ( -2.499 -2.052 1.556) 3.589 4.660 ( -0.884 -0.934 1.318) 1.842 4.765 ( 2.495 -3.080 2.033) 4.455 4.789 ( 4.527 -1.570 10.783) 11.800 5.966 ( -1.692 4.359 -5.388) 7.134 6.298 ( 0.153 0.125 -7.732) 7.735 7.458 ( -4.703 -4.955 1.575) 7.011 7.770 ( 2.048 -0.460 -2.670) 3.397 8.056 ( 10.749 -1.541 2.073) 11.055 8.435 ( 7.627 0.795 -5.179) 9.254 9.031 ( 0.795 0.265 8.175) 8.218 9.695 ( 0.283 0.118 -3.805) 3.818 ======================= Grid point 209 (75/196) ======================= q-point: (-0.38 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.323 0.373 3.585) 3.619 0.807 ( -3.476 -2.165 2.029) 4.570 0.928 ( -2.614 -1.163 4.195) 5.078 1.155 ( -4.737 6.062 -2.157) 7.990 1.297 ( -2.758 1.804 5.886) 6.745 1.407 ( -2.181 -1.587 -0.829) 2.822 1.659 ( -0.800 -2.211 -6.818) 7.212 1.946 ( -11.014 0.289 3.736) 11.634 1.987 ( -10.803 -2.223 0.555) 11.043 2.274 ( -4.506 -4.389 11.934) 13.490 2.730 ( 7.657 1.976 0.184) 7.910 3.144 ( -7.756 1.955 3.792) 8.852 3.229 ( -2.408 0.651 7.538) 7.940 3.401 ( 12.289 -2.762 2.626) 12.867 3.451 ( -4.554 -0.370 1.303) 4.751 3.989 ( 0.223 -10.150 6.179) 11.885 4.216 ( -3.464 -0.700 -2.821) 4.522 4.352 ( -0.484 -1.898 -1.724) 2.609 4.394 ( -0.081 -2.848 0.151) 2.853 4.643 ( -1.243 0.473 0.629) 1.471 4.828 ( 2.016 -2.724 3.133) 4.615 4.886 ( 4.766 -1.196 11.425) 12.437 5.956 ( 3.711 3.928 -5.233) 7.522 6.290 ( -0.714 0.114 -8.188) 8.220 7.371 ( -8.474 -8.374 2.409) 12.155 7.780 ( -2.223 -1.909 -3.750) 4.759 8.281 ( 11.475 0.625 1.472) 11.586 8.598 ( 9.490 0.834 -5.026) 10.771 9.048 ( 1.160 0.211 8.352) 8.434 9.700 ( 0.292 0.110 -3.694) 3.707 ======================= Grid point 210 (76/196) ======================= q-point: (-0.31 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -5.996 1.561 5.437) 8.244 0.786 ( -1.898 4.389 3.961) 6.209 0.885 ( -0.666 -0.377 1.843) 1.995 1.051 ( -2.753 2.725 0.194) 3.879 1.198 ( -6.397 1.195 4.531) 7.929 1.361 ( -4.405 0.529 -1.203) 4.597 1.632 ( -7.394 4.943 3.129) 9.428 1.676 ( -13.152 -3.129 -3.301) 13.916 1.743 ( -9.433 -1.933 -0.549) 9.645 2.256 ( -1.044 -3.177 15.871) 16.219 2.829 ( 3.712 5.434 -1.759) 6.812 3.005 ( -5.840 0.441 5.296) 7.896 3.146 ( -2.802 2.450 7.534) 8.403 3.419 ( -0.227 -0.812 1.830) 2.015 3.638 ( 9.424 0.210 0.880) 9.468 4.018 ( -5.106 -10.747 5.841) 13.255 4.133 ( -2.606 -1.924 2.414) 4.040 4.370 ( -0.087 -2.125 -1.350) 2.519 4.415 ( 0.902 -1.230 -4.838) 5.072 4.604 ( -1.832 2.028 -0.084) 2.734 4.872 ( 1.308 -2.604 7.136) 7.708 4.991 ( 5.634 -0.874 11.456) 12.797 6.084 ( 11.533 2.192 -4.486) 12.567 6.276 ( -0.611 -0.112 -8.146) 8.169 7.218 ( -13.013 -10.534 2.250) 16.893 7.682 ( -10.551 -4.606 -5.634) 12.817 8.471 ( 8.979 3.310 1.311) 9.659 8.776 ( 8.797 1.008 -5.547) 10.449 9.078 ( 2.167 0.150 8.447) 8.722 9.705 ( 0.256 0.065 -3.589) 3.599 ======================= Grid point 211 (77/196) ======================= q-point: (-0.23 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -5.625 7.683 7.305) 12.001 0.649 ( -7.058 10.037 4.094) 12.935 0.928 ( 2.956 -3.226 3.191) 5.415 1.009 ( -1.450 -0.780 0.362) 1.686 1.072 ( -5.125 -0.296 2.461) 5.693 1.178 ( -11.198 2.034 1.158) 11.440 1.324 ( -12.597 11.825 18.198) 25.094 1.553 ( -1.451 -0.929 -0.581) 1.818 1.723 ( -0.575 -7.016 -11.324) 13.333 2.255 ( 0.227 -0.568 14.011) 14.024 2.808 ( -2.392 4.847 1.374) 5.577 2.879 ( -4.565 7.025 2.336) 8.698 3.154 ( 3.430 1.115 0.176) 3.611 3.418 ( -1.286 -2.835 6.127) 6.872 3.723 ( 0.020 -0.682 4.955) 5.002 3.916 ( -7.820 -6.403 9.971) 14.198 4.190 ( 4.442 -5.104 4.678) 8.226 4.370 ( -0.321 -0.100 -1.075) 1.127 4.404 ( -2.965 -0.207 -3.664) 4.717 4.570 ( -0.223 2.430 -4.001) 4.686 4.924 ( 1.732 -5.330 10.511) 11.912 5.143 ( 10.075 -4.517 18.000) 21.116 6.271 ( -0.043 -0.404 -7.656) 7.667 6.373 ( 18.680 0.802 -2.858) 18.915 6.989 ( -16.032 -9.326 0.873) 18.568 7.386 ( -24.115 -6.366 -7.136) 25.942 8.583 ( 4.848 4.705 1.517) 6.924 8.900 ( 4.322 1.293 -5.362) 7.007 9.135 ( 3.609 0.611 6.309) 7.294 9.709 ( 0.169 0.014 -3.483) 3.487 ======================= Grid point 212 (78/196) ======================= q-point: (-0.15 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 0.000 10.356 8.952) 13.689 0.478 ( 0.000 10.597 8.203) 13.401 0.981 ( -0.000 -0.092 -2.104) 2.106 1.015 ( 0.000 0.027 0.470) 0.471 1.023 ( -0.000 -3.808 9.247) 10.001 1.052 ( 0.000 0.142 -0.305) 0.336 1.100 ( 0.000 12.554 27.725) 30.435 1.562 ( -0.000 -0.467 -4.335) 4.360 1.757 ( -0.000 -6.496 -11.736) 13.414 2.268 ( 0.000 0.464 11.908) 11.917 2.705 ( 0.000 7.610 3.721) 8.471 2.803 ( 0.000 6.970 0.023) 6.970 3.193 ( 0.000 1.584 -3.839) 4.153 3.417 ( -0.000 -4.219 9.505) 10.399 3.711 ( 0.000 2.831 -2.726) 3.930 3.878 ( -0.000 -14.379 27.608) 31.128 4.284 ( 0.000 0.989 0.656) 1.187 4.341 ( -0.000 -4.531 -1.499) 4.772 4.371 ( 0.000 0.477 -0.708) 0.854 4.554 ( 0.000 2.727 -5.076) 5.762 4.978 ( -0.000 -5.989 10.182) 11.813 5.411 ( -0.000 -25.192 31.488) 40.326 6.280 ( -0.000 -1.298 -5.980) 6.119 6.670 ( -0.000 -0.261 1.896) 1.914 6.886 ( -0.000 -0.108 -1.501) 1.505 6.898 ( -0.000 -1.708 -7.974) 8.155 8.603 ( 0.000 4.518 1.707) 4.830 8.933 ( 0.000 1.477 -4.890) 5.108 9.174 ( 0.000 1.751 3.154) 3.607 9.710 ( -0.000 -0.009 -3.414) 3.414 ======================= Grid point 217 (79/196) ======================= q-point: ( 0.23 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.106 -0.000 1.360) 1.364 0.877 ( 0.057 0.000 3.979) 3.979 1.010 ( -4.696 -0.000 -3.406) 5.801 1.140 ( 0.478 0.000 -1.143) 1.239 1.580 ( -2.204 -0.000 -1.378) 2.600 1.604 ( 2.776 0.000 -2.244) 3.569 1.703 ( 10.384 0.000 2.319) 10.640 2.112 ( -5.035 -0.000 7.373) 8.928 2.113 ( -7.238 -0.000 -5.704) 9.216 2.330 ( -5.994 -0.000 4.781) 7.668 2.875 ( 0.947 0.000 9.905) 9.950 3.027 ( 0.591 0.000 -6.675) 6.701 3.265 ( -4.160 -0.000 -6.816) 7.985 3.509 ( 6.006 0.000 7.106) 9.304 3.654 ( -9.592 -0.000 5.112) 10.869 4.101 ( 9.355 0.000 12.472) 15.590 4.194 ( -1.353 -0.000 -0.038) 1.353 4.339 ( -5.001 -0.000 -0.436) 5.020 4.608 ( 0.815 0.000 3.144) 3.248 4.617 ( -6.853 -0.000 7.657) 10.276 4.739 ( -2.181 -0.000 1.730) 2.784 4.747 ( -2.483 -0.000 5.099) 5.672 6.055 ( 7.542 0.000 -4.497) 8.781 6.236 ( -3.002 -0.000 -6.749) 7.386 7.590 ( -3.055 -0.000 -1.665) 3.479 7.606 ( 0.527 0.000 -1.692) 1.772 7.850 ( -5.010 -0.000 2.214) 5.477 8.244 ( -0.967 -0.000 -5.132) 5.222 9.007 ( 0.067 0.000 8.043) 8.044 9.685 ( 0.013 0.000 -4.060) 4.060 ======================= Grid point 218 (80/196) ======================= q-point: (-0.69 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.175 0.147 3.404) 3.411 0.883 ( 0.325 -0.016 4.086) 4.099 0.907 ( -5.023 -0.473 0.174) 5.048 1.157 ( 1.372 0.035 -1.239) 1.848 1.518 ( -4.060 -0.346 -1.920) 4.505 1.644 ( 1.911 0.370 -2.368) 3.066 1.908 ( -0.368 5.584 -1.721) 5.854 1.959 ( 3.175 -2.292 -3.207) 5.061 2.021 ( -5.567 -3.997 6.071) 9.155 2.230 ( -4.098 -0.222 6.039) 7.301 2.810 ( -7.159 -0.552 10.015) 12.323 3.066 ( 3.401 1.972 -8.468) 9.336 3.160 ( -5.402 -2.189 -8.458) 10.272 3.530 ( -2.834 1.619 8.487) 9.093 3.617 ( 3.488 -1.656 5.077) 6.378 4.119 ( -6.962 0.144 12.467) 14.280 4.248 ( -3.602 -0.046 -10.943) 11.521 4.257 ( 6.499 -0.022 8.720) 10.876 4.488 ( -5.998 -0.387 7.444) 9.568 4.630 ( 1.781 -0.144 5.798) 6.067 4.690 ( -2.316 -0.247 3.872) 4.519 4.707 ( -1.642 -0.269 3.218) 3.623 6.161 ( -2.406 1.942 -5.818) 6.588 6.193 ( 4.194 -1.552 -5.607) 7.172 7.537 ( -2.566 -0.371 -1.160) 2.840 7.643 ( 3.054 0.018 -2.080) 3.695 7.797 ( -0.042 -0.042 2.760) 2.760 8.254 ( 2.017 0.064 -5.516) 5.874 9.012 ( 0.414 0.023 8.083) 8.094 9.687 ( 0.157 0.009 -4.010) 4.013 ======================= Grid point 219 (81/196) ======================= q-point: (-0.62 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -1.671 0.525 2.655) 3.181 0.843 ( -1.868 -2.465 3.423) 4.613 0.905 ( 0.929 -1.257 5.146) 5.378 1.193 ( 2.374 0.195 -0.665) 2.473 1.441 ( -3.957 -1.337 -1.891) 4.585 1.653 ( -2.256 2.984 -2.998) 4.793 1.719 ( -6.916 3.606 0.168) 7.802 1.956 ( -3.648 -5.819 7.496) 10.167 2.161 ( 1.657 -0.309 -0.105) 1.689 2.192 ( 6.316 -2.976 -1.771) 7.203 2.671 ( -6.506 -1.737 9.513) 11.655 3.065 ( -1.391 0.103 -3.477) 3.746 3.167 ( 3.782 -1.016 -4.494) 5.961 3.481 ( -2.035 1.705 6.189) 6.734 3.642 ( -2.986 -1.948 -2.401) 4.298 3.958 ( -7.614 -0.400 14.330) 16.232 4.200 ( -1.854 -1.663 -3.799) 4.542 4.345 ( 2.339 0.431 4.941) 5.483 4.404 ( -3.040 -1.620 2.899) 4.502 4.663 ( -0.773 -0.416 4.014) 4.108 4.686 ( 3.648 -0.606 9.551) 10.242 4.691 ( -0.146 -1.719 1.090) 2.041 6.081 ( -3.600 2.180 -5.751) 7.126 6.273 ( 2.575 -0.343 -6.542) 7.039 7.486 ( -3.426 -1.275 0.278) 3.666 7.710 ( 3.411 -0.158 -2.319) 4.128 7.860 ( 6.356 -0.762 2.797) 6.986 8.321 ( 5.023 0.270 -5.597) 7.525 9.021 ( 0.616 0.112 8.126) 8.150 9.691 ( 0.250 0.047 -3.902) 3.910 ======================= Grid point 220 (82/196) ======================= q-point: (-0.54 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.247 -1.068 1.647) 1.978 0.820 ( -1.695 -0.852 3.817) 4.262 0.926 ( -0.184 -2.069 5.533) 5.910 1.236 ( 1.617 0.284 -0.476) 1.709 1.387 ( -2.708 -1.615 -1.991) 3.729 1.490 ( -6.927 6.186 2.051) 9.511 1.664 ( -2.067 -0.899 -2.980) 3.736 1.956 ( -0.070 -5.844 10.291) 11.835 2.106 ( -5.264 -1.747 3.112) 6.360 2.325 ( -0.520 -1.942 -8.030) 8.278 2.614 ( 2.084 -0.608 7.558) 7.864 3.107 ( 5.575 -3.224 1.363) 6.583 3.242 ( 3.182 0.002 2.243) 3.893 3.385 ( -6.945 5.123 1.948) 8.847 3.537 ( -7.232 -4.191 -1.790) 8.548 3.882 ( -1.768 -3.094 13.326) 13.794 4.198 ( 0.140 -2.879 -1.340) 3.178 4.353 ( -0.578 -0.773 1.895) 2.127 4.373 ( -1.995 -1.186 0.508) 2.376 4.656 ( 0.020 0.242 1.582) 1.601 4.727 ( 2.085 -3.362 0.977) 4.075 4.774 ( 4.674 -0.951 11.538) 12.485 6.011 ( -1.599 3.364 -5.773) 6.870 6.299 ( 0.206 -0.033 -7.585) 7.588 7.410 ( -6.099 -3.422 1.934) 7.256 7.763 ( 1.505 -0.657 -2.823) 3.266 8.042 ( 11.494 -0.887 2.314) 11.758 8.442 ( 7.641 0.504 -5.290) 9.307 9.034 ( 0.779 0.181 8.190) 8.229 9.696 ( 0.287 0.086 -3.784) 3.796 ======================= Grid point 221 (83/196) ======================= q-point: (-0.46 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -1.909 -0.746 2.570) 3.288 0.813 ( 1.567 1.529 2.863) 3.604 0.915 ( -1.575 -1.016 4.357) 4.743 1.212 ( -3.822 3.423 -3.195) 6.044 1.323 ( -3.579 2.880 4.687) 6.563 1.392 ( -1.772 -0.742 -0.074) 1.922 1.628 ( -2.533 -3.199 -6.535) 7.704 1.953 ( -11.804 -1.643 -0.484) 11.927 1.957 ( -5.315 -0.240 7.962) 9.576 2.230 ( -5.026 -3.327 9.060) 10.882 2.748 ( 9.094 1.228 0.497) 9.190 3.166 ( -8.880 1.887 1.597) 9.218 3.236 ( -0.937 0.541 6.804) 6.889 3.362 ( 10.419 -4.060 3.446) 11.701 3.455 ( -1.309 0.927 1.889) 2.478 3.887 ( -1.761 -7.632 10.023) 12.720 4.209 ( -1.564 -0.487 -1.334) 2.113 4.322 ( -1.867 -3.020 1.194) 3.746 4.374 ( 0.922 -0.960 -2.813) 3.112 4.654 ( -0.104 1.374 0.501) 1.467 4.791 ( 2.073 -3.622 2.162) 4.700 4.873 ( 4.914 -1.043 11.542) 12.588 6.000 ( 3.114 3.657 -5.736) 7.481 6.291 ( -0.836 -0.029 -8.169) 8.212 7.284 ( -9.863 -6.623 2.974) 12.247 7.759 ( -3.093 -1.621 -3.881) 5.221 8.288 ( 13.008 0.609 1.643) 13.125 8.606 ( 9.290 0.473 -4.961) 10.542 9.050 ( 1.066 0.138 8.348) 8.417 9.701 ( 0.273 0.093 -3.689) 3.700 ======================= Grid point 222 (84/196) ======================= q-point: (-0.38 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -1.861 3.047 3.072) 4.710 0.830 ( 1.410 3.421 4.215) 5.609 0.887 ( -1.445 0.369 1.661) 2.232 1.092 ( -4.945 4.426 -2.280) 7.017 1.209 ( -7.427 0.743 4.109) 8.520 1.364 ( -3.052 -0.021 -1.648) 3.468 1.613 ( -1.831 -5.482 -9.330) 10.975 1.656 ( -16.662 -1.852 -2.559) 16.959 1.771 ( -10.375 5.650 10.988) 16.134 2.226 ( 0.879 -2.030 16.762) 16.907 2.886 ( 4.863 4.392 -1.301) 6.681 3.009 ( -4.372 0.219 5.863) 7.317 3.173 ( -3.216 2.286 9.545) 10.328 3.412 ( -0.888 -0.451 0.728) 1.234 3.640 ( 10.196 0.222 4.506) 11.149 3.887 ( -2.902 -11.039 9.456) 14.822 4.137 ( -3.562 1.544 1.095) 4.034 4.342 ( 1.064 -2.638 -0.847) 2.968 4.402 ( 1.097 -1.018 -4.763) 4.992 4.629 ( -1.259 2.374 -0.716) 2.781 4.839 ( 0.747 -3.295 5.051) 6.077 4.977 ( 5.215 -1.325 11.447) 12.649 6.111 ( 10.592 2.546 -5.123) 12.038 6.274 ( -0.791 -0.222 -8.213) 8.254 7.105 ( -13.133 -8.997 2.873) 16.176 7.639 ( -11.330 -3.040 -5.263) 12.857 8.509 ( 10.421 3.305 1.242) 11.003 8.783 ( 8.626 0.175 -5.136) 10.040 9.078 ( 1.958 -0.139 8.441) 8.666 9.705 ( 0.224 0.060 -3.617) 3.625 ======================= Grid point 223 (85/196) ======================= q-point: (-0.31 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -1.909 9.449 3.517) 10.262 0.764 ( -5.511 9.960 1.649) 11.502 0.889 ( 1.450 -3.221 3.288) 4.826 1.004 ( -2.511 -0.139 -1.530) 2.944 1.067 ( -5.502 -0.622 1.762) 5.810 1.197 ( -12.070 1.385 -0.967) 12.188 1.419 ( -8.165 2.405 5.270) 10.011 1.576 ( -3.294 6.941 11.268) 13.638 1.637 ( -0.759 -7.870 -11.518) 13.971 2.256 ( 1.943 0.576 15.105) 15.240 2.861 ( -1.527 4.497 4.777) 6.736 2.963 ( -2.057 7.452 3.180) 8.359 3.164 ( 3.542 0.604 2.242) 4.235 3.389 ( -2.308 -2.113 4.183) 5.224 3.659 ( -7.742 -8.910 29.800) 32.052 3.899 ( -1.190 2.618 -6.122) 6.763 4.159 ( 6.709 -1.116 3.455) 7.628 4.368 ( 0.647 -0.210 -0.892) 1.121 4.402 ( -2.203 -0.102 -3.537) 4.168 4.595 ( -0.509 1.876 -4.729) 5.113 4.867 ( 0.237 -4.663 8.078) 9.330 5.096 ( 5.757 -3.760 14.589) 16.128 6.265 ( -0.251 -0.540 -7.957) 7.979 6.385 ( 18.400 1.340 -3.572) 18.791 6.891 ( -12.933 -7.611 1.324) 15.064 7.334 ( -22.211 -3.295 -5.910) 23.219 8.641 ( 5.535 5.281 1.286) 7.758 8.909 ( 4.102 0.314 -4.470) 6.075 9.134 ( 3.319 -0.670 6.532) 7.357 9.709 ( 0.142 0.010 -3.545) 3.547 ======================= Grid point 224 (86/196) ======================= q-point: (-0.23 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.000 9.819 5.065) 11.049 0.601 ( 0.000 13.762 1.963) 13.901 0.950 ( -0.000 -6.469 5.453) 8.461 0.977 ( -0.000 -0.691 -1.879) 2.002 1.017 ( 0.000 0.235 0.436) 0.495 1.054 ( 0.000 0.205 -0.331) 0.389 1.273 ( 0.000 13.907 20.546) 24.810 1.547 ( -0.000 -0.865 0.183) 0.884 1.676 ( -0.000 -7.663 -11.875) 14.133 2.281 ( 0.000 1.514 12.284) 12.377 2.803 ( 0.000 9.354 3.326) 9.928 2.883 ( 0.000 6.874 3.001) 7.501 3.213 ( 0.000 1.881 -3.045) 3.579 3.371 ( -0.000 -3.830 8.845) 9.639 3.618 ( -0.000 -14.514 44.908) 47.196 3.848 ( 0.000 5.724 -6.562) 8.708 4.296 ( 0.000 1.044 0.586) 1.197 4.314 ( -0.000 -0.517 -1.813) 1.885 4.377 ( 0.000 0.584 -0.684) 0.899 4.583 ( 0.000 2.085 -6.640) 6.959 4.905 ( -0.000 -6.555 9.473) 11.520 5.218 ( -0.000 -10.912 20.984) 23.652 6.268 ( -0.000 -0.845 -7.336) 7.385 6.667 ( -0.000 -0.269 1.879) 1.898 6.873 ( -0.000 -2.459 -8.310) 8.666 6.885 ( -0.000 -0.199 -1.530) 1.542 8.662 ( 0.000 5.680 1.471) 5.867 8.943 ( 0.000 0.534 -3.480) 3.521 9.179 ( -0.000 -0.593 3.833) 3.879 9.710 ( -0.000 -0.014 -3.480) 3.480 ======================= Grid point 231 (87/196) ======================= q-point: (-0.69 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -3.717 -0.000 2.335) 4.389 0.823 ( -0.106 -0.000 4.737) 4.739 0.898 ( 0.670 0.000 4.929) 4.974 1.194 ( 2.353 0.000 -0.643) 2.439 1.433 ( -4.118 -0.000 -1.872) 4.524 1.669 ( 0.073 0.000 -2.979) 2.980 1.748 ( -9.920 -0.000 -1.131) 9.984 1.916 ( -3.286 -0.000 8.307) 8.933 2.162 ( -3.110 -0.000 5.538) 6.352 2.171 ( 11.166 0.000 -7.061) 13.211 2.661 ( -6.293 -0.000 9.432) 11.339 3.066 ( -2.904 -0.000 -2.878) 4.088 3.161 ( 4.925 0.000 -5.661) 7.503 3.491 ( -1.478 -0.000 6.246) 6.418 3.631 ( -3.323 -0.000 -2.206) 3.988 3.956 ( -8.110 -0.000 13.820) 16.024 4.190 ( -2.295 -0.000 -2.259) 3.220 4.349 ( 2.673 0.000 4.878) 5.562 4.394 ( -3.285 -0.000 2.006) 3.850 4.662 ( -0.351 -0.000 4.542) 4.555 4.680 ( -0.604 -0.000 0.805) 1.006 4.683 ( 3.406 0.000 9.495) 10.087 6.094 ( -3.520 -0.000 -5.907) 6.876 6.271 ( 2.756 0.000 -6.414) 6.981 7.479 ( -3.678 -0.000 0.333) 3.693 7.709 ( 3.309 0.000 -2.277) 4.017 7.856 ( 6.283 0.000 2.793) 6.876 8.323 ( 5.060 0.000 -5.637) 7.575 9.022 ( 0.629 0.000 8.131) 8.155 9.691 ( 0.257 0.000 -3.895) 3.904 ======================= Grid point 233 (88/196) ======================= q-point: (-0.62 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -0.156 -0.940 1.879) 2.107 0.820 ( -0.072 0.318 4.681) 4.692 0.909 ( 0.077 -0.817 5.430) 5.492 1.237 ( 1.572 -0.043 -0.111) 1.577 1.372 ( -2.228 -0.750 -1.608) 2.849 1.557 ( -7.779 4.527 1.479) 9.121 1.646 ( -3.102 -1.971 -3.352) 4.975 1.905 ( 1.224 -2.555 10.683) 11.052 2.092 ( -4.747 -0.664 4.510) 6.581 2.310 ( -0.393 -0.664 -9.437) 9.469 2.609 ( 2.802 -0.243 7.297) 7.821 3.082 ( 5.441 -1.120 1.808) 5.842 3.241 ( 2.722 -0.118 1.585) 3.152 3.441 ( -7.917 4.448 -1.162) 9.155 3.491 ( -5.472 -3.936 -0.727) 6.779 3.857 ( -2.892 -1.141 14.751) 15.075 4.172 ( 0.269 -1.341 1.758) 2.227 4.352 ( -1.467 0.357 1.660) 2.243 4.362 ( -1.189 -0.801 -1.064) 1.786 4.666 ( 0.920 1.548 1.875) 2.600 4.692 ( 1.505 -2.708 0.517) 3.141 4.767 ( 4.686 -0.332 11.684) 12.593 6.038 ( -1.540 1.290 -5.998) 6.326 6.298 ( 0.248 -0.055 -7.497) 7.501 7.383 ( -6.866 -1.228 2.135) 7.294 7.758 ( 1.274 -0.295 -2.856) 3.142 8.036 ( 11.845 -0.280 2.404) 12.089 8.446 ( 7.637 0.171 -5.349) 9.325 9.035 ( 0.769 0.064 8.199) 8.235 9.697 ( 0.289 0.031 -3.772) 3.783 ======================= Grid point 234 (89/196) ======================= q-point: (-0.54 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.095 0.364 1.286) 1.340 0.829 ( 1.880 1.047 3.179) 3.839 0.906 ( -0.826 -0.535 4.397) 4.506 1.233 ( -2.255 0.722 -2.267) 3.278 1.347 ( -1.903 0.577 0.370) 2.023 1.405 ( -4.806 3.056 2.665) 6.288 1.589 ( -3.991 -3.351 -5.719) 7.737 1.921 ( -6.282 -2.382 4.052) 7.846 1.972 ( -6.838 1.340 5.533) 8.897 2.199 ( -5.471 -2.084 6.804) 8.976 2.758 ( 9.993 0.599 0.688) 10.034 3.186 ( -10.500 1.640 -0.348) 10.633 3.244 ( 0.987 1.031 6.854) 7.000 3.313 ( 9.280 -4.264 2.805) 10.590 3.468 ( 0.900 1.109 2.859) 3.196 3.820 ( -3.263 -4.036 12.894) 13.899 4.205 ( 1.478 -0.256 -0.023) 1.500 4.292 ( -3.649 -1.918 2.130) 4.640 4.367 ( 0.951 -0.359 -3.784) 3.918 4.675 ( 0.736 2.295 -0.051) 2.410 4.749 ( 2.068 -3.668 1.904) 4.621 4.864 ( 4.924 -0.624 11.661) 12.674 6.035 ( 2.733 2.284 -6.096) 7.060 6.290 ( -0.927 -0.105 -8.193) 8.246 7.225 ( -10.782 -3.669 3.364) 11.876 7.744 ( -3.480 -0.921 -3.937) 5.335 8.294 ( 14.059 0.368 1.721) 14.169 8.609 ( 9.064 0.198 -4.891) 10.301 9.052 ( 0.976 0.066 8.340) 8.397 9.702 ( 0.260 0.053 -3.686) 3.695 ======================= Grid point 235 (90/196) ======================= q-point: (-0.46 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.424 2.447 1.927) 3.143 0.867 ( 2.165 2.885 2.415) 4.341 0.888 ( -0.683 -0.075 2.203) 2.307 1.144 ( -4.888 4.240 -3.748) 7.478 1.219 ( -9.063 1.377 3.868) 9.950 1.362 ( -1.838 -0.249 -2.221) 2.894 1.546 ( -2.948 -5.917 -9.118) 11.262 1.635 ( -18.918 -1.576 -2.569) 19.156 1.833 ( -6.514 4.584 10.561) 13.228 2.209 ( 2.634 -1.024 17.898) 18.119 2.928 ( 6.302 3.085 -0.888) 7.073 3.008 ( -4.311 -0.450 6.338) 7.679 3.197 ( -3.070 1.884 11.095) 11.665 3.409 ( -0.919 -0.189 -0.130) 0.948 3.645 ( 9.449 0.847 7.205) 11.912 3.777 ( -0.456 -8.102 10.406) 13.196 4.159 ( -3.549 2.257 1.434) 4.444 4.311 ( 2.507 -2.653 -0.736) 3.723 4.392 ( 1.086 -0.698 -4.435) 4.620 4.657 ( -1.210 2.525 -1.541) 3.196 4.800 ( 0.883 -3.362 3.984) 5.287 4.963 ( 4.765 -1.140 11.526) 12.524 6.139 ( 9.847 2.214 -5.695) 11.589 6.271 ( -0.935 -0.282 -8.349) 8.406 7.018 ( -12.921 -5.994 3.331) 14.628 7.612 ( -11.522 -1.763 -5.101) 12.723 8.543 ( 11.791 2.530 1.105) 12.109 8.782 ( 8.267 -0.274 -4.694) 9.511 9.076 ( 1.617 -0.212 8.426) 8.583 9.706 ( 0.196 0.042 -3.643) 3.649 ======================= Grid point 236 (91/196) ======================= q-point: (-0.38 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.247 6.720 1.768) 6.953 0.852 ( -1.656 1.087 4.345) 4.775 0.878 ( -1.190 5.524 -1.189) 5.774 1.006 ( -5.804 0.658 -2.668) 6.422 1.061 ( -4.708 -0.050 1.240) 4.869 1.213 ( -13.194 1.458 -1.529) 13.362 1.400 ( -4.832 -3.728 -3.078) 6.836 1.543 ( -1.677 -8.087 -10.705) 13.521 1.690 ( -3.311 10.425 15.647) 19.091 2.264 ( 2.787 0.500 17.097) 17.330 2.906 ( 0.057 3.274 8.634) 9.234 3.043 ( -0.065 6.384 3.694) 7.376 3.167 ( 3.135 -0.133 3.945) 5.040 3.371 ( -3.092 -1.043 1.770) 3.713 3.562 ( -10.755 -7.217 34.624) 36.968 3.941 ( 4.191 3.983 -7.483) 9.457 4.154 ( 6.811 0.133 3.363) 7.597 4.365 ( 1.807 -0.323 -0.803) 2.004 4.402 ( -1.085 -0.033 -3.670) 3.827 4.610 ( -1.988 0.717 -4.984) 5.414 4.821 ( -0.417 -3.300 6.046) 6.900 5.059 ( 3.848 -2.814 13.012) 13.858 6.259 ( -0.411 -0.535 -8.245) 8.272 6.403 ( 18.142 1.639 -4.393) 18.738 6.817 ( -10.345 -5.513 1.752) 11.853 7.306 ( -21.080 -1.806 -5.489) 21.857 8.700 ( 6.301 4.932 0.937) 8.057 8.908 ( 4.100 -0.407 -3.872) 5.654 9.122 ( 2.663 -1.182 7.036) 7.615 9.709 ( 0.115 0.004 -3.609) 3.611 ======================= Grid point 237 (92/196) ======================= q-point: (-0.31 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.000 8.041 2.991) 8.580 0.760 ( 0.000 13.584 -1.509) 13.668 0.884 ( -0.000 -4.835 3.801) 6.150 0.964 ( -0.000 -1.496 -1.451) 2.084 1.020 ( 0.000 0.377 0.321) 0.495 1.056 ( 0.000 0.234 -0.392) 0.457 1.364 ( 0.000 1.321 1.312) 1.862 1.562 ( -0.000 -2.968 -0.863) 3.091 1.612 ( 0.000 3.827 3.776) 5.377 2.296 ( 0.000 0.884 14.335) 14.362 2.909 ( 0.000 8.985 2.845) 9.425 2.954 ( 0.000 5.423 7.288) 9.085 3.234 ( 0.000 1.743 -2.229) 2.829 3.330 ( -0.000 -3.360 6.065) 6.933 3.475 ( -0.000 -9.986 49.965) 50.953 3.923 ( 0.000 6.594 -7.254) 9.803 4.307 ( 0.000 0.801 0.559) 0.977 4.322 ( 0.000 1.806 -1.995) 2.691 4.384 ( 0.000 0.560 -0.647) 0.856 4.594 ( -0.000 -0.473 -7.971) 7.985 4.837 ( -0.000 -4.878 7.726) 9.137 5.128 ( -0.000 -5.711 15.635) 16.645 6.259 ( -0.000 -0.758 -7.933) 7.969 6.664 ( -0.000 -0.202 1.846) 1.857 6.846 ( -0.000 -2.125 -8.590) 8.849 6.882 ( -0.000 -0.260 -1.552) 1.574 8.729 ( 0.000 5.881 1.105) 5.984 8.946 ( -0.000 -0.016 -2.745) 2.745 9.165 ( -0.000 -1.753 4.889) 5.194 9.710 ( -0.000 -0.019 -3.563) 3.563 ======================= Grid point 246 (93/196) ======================= q-point: (-0.62 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 1.184 0.000 0.485) 1.280 0.835 ( 1.347 0.000 3.684) 3.923 0.903 ( -0.227 -0.000 4.150) 4.157 1.236 ( -1.727 -0.000 -1.734) 2.447 1.347 ( -0.874 -0.000 -0.624) 1.074 1.430 ( -6.559 -0.000 3.127) 7.266 1.565 ( -4.294 -0.000 -5.434) 6.926 1.906 ( -5.295 -0.000 4.670) 7.060 1.981 ( -6.271 -0.000 5.661) 8.448 2.186 ( -5.645 -0.000 5.927) 8.185 2.761 ( 10.295 0.000 0.751) 10.322 3.197 ( -12.297 -0.000 -1.194) 12.355 3.258 ( -1.545 -0.000 9.622) 9.745 3.278 ( 13.585 0.000 -0.102) 13.586 3.475 ( 1.428 0.000 3.173) 3.480 3.796 ( -3.812 -0.000 13.978) 14.488 4.203 ( 3.244 0.000 0.510) 3.284 4.281 ( -4.870 -0.000 2.312) 5.391 4.365 ( 0.910 0.000 -3.994) 4.096 4.699 ( 0.637 0.000 -3.078) 3.144 4.716 ( 2.465 0.000 4.632) 5.247 4.860 ( 4.913 0.000 11.710) 12.699 6.048 ( 2.608 0.000 -6.227) 6.751 6.289 ( -0.961 -0.000 -8.212) 8.268 7.203 ( -11.103 -0.000 3.508) 11.644 7.739 ( -3.584 -0.000 -3.952) 5.335 8.296 ( 14.434 0.000 1.742) 14.539 8.610 ( 8.968 0.000 -4.862) 10.201 9.052 ( 0.941 0.000 8.336) 8.389 9.702 ( 0.255 0.000 -3.685) 3.694 ======================= Grid point 248 (94/196) ======================= q-point: (-0.54 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.304 1.063 1.829) 2.138 0.876 ( 2.588 -0.413 1.650) 3.097 0.901 ( 0.239 1.331 1.476) 2.002 1.175 ( -4.159 1.105 -1.996) 4.744 1.241 ( -9.839 1.793 1.438) 10.104 1.359 ( -1.301 -0.112 -2.594) 2.904 1.491 ( -3.989 -3.016 -8.654) 9.995 1.622 ( -19.920 -0.549 -2.390) 20.070 1.869 ( -4.345 1.649 9.744) 10.796 2.202 ( 3.646 -0.298 18.750) 19.103 2.955 ( 8.820 1.366 -0.954) 8.976 3.001 ( -6.295 -0.565 6.846) 9.318 3.213 ( -2.837 0.785 12.028) 12.383 3.407 ( -0.564 -0.063 -0.586) 0.815 3.663 ( 7.531 2.382 8.447) 11.565 3.704 ( 2.269 -4.920 10.716) 12.008 4.182 ( -4.151 1.327 2.144) 4.856 4.286 ( 4.089 -1.418 -1.039) 4.451 4.386 ( 1.062 -0.248 -4.195) 4.335 4.683 ( -1.869 1.598 -2.816) 3.738 4.767 ( 1.668 -1.937 4.277) 4.983 4.953 ( 4.496 -0.445 11.586) 12.436 6.158 ( 9.474 0.921 -6.026) 11.266 6.269 ( -1.036 -0.152 -8.488) 8.553 6.972 ( -12.736 -2.116 3.613) 13.406 7.599 ( -11.540 -0.582 -5.035) 12.604 8.564 ( 12.718 0.973 0.997) 12.794 8.779 ( 7.914 -0.192 -4.409) 9.061 9.074 ( 1.378 -0.095 8.409) 8.522 9.706 ( 0.179 0.015 -3.659) 3.663 ======================= Grid point 249 (95/196) ======================= q-point: (-0.46 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.598 0.006 3.045) 3.103 0.877 ( -1.977 4.075 0.912) 4.620 0.928 ( 2.286 1.537 -0.384) 2.782 1.014 ( -9.675 0.190 0.539) 9.692 1.081 ( -4.096 3.731 -2.801) 6.208 1.229 ( -14.936 1.409 -1.630) 15.091 1.356 ( -3.123 -3.398 -4.808) 6.664 1.458 ( -2.155 -6.327 -11.182) 13.027 1.790 ( -1.756 6.589 14.192) 15.745 2.266 ( 2.667 -0.066 19.622) 19.803 2.934 ( 1.175 1.574 12.260) 12.416 3.104 ( 2.893 4.131 2.639) 5.692 3.162 ( 1.110 -0.670 5.643) 5.790 3.364 ( -3.532 -0.275 0.072) 3.543 3.501 ( -11.039 -3.615 34.345) 36.257 3.979 ( 7.643 2.495 -6.007) 10.036 4.158 ( 6.025 0.330 3.429) 6.940 4.362 ( 2.793 -0.288 -0.896) 2.947 4.402 ( 0.059 0.048 -3.827) 3.828 4.612 ( -4.588 -0.262 -4.543) 6.462 4.794 ( 0.128 -1.434 4.423) 4.652 5.034 ( 3.029 -1.538 12.247) 12.709 6.254 ( -0.533 -0.333 -8.458) 8.481 6.420 ( 18.110 1.235 -5.185) 18.878 6.767 ( -8.978 -3.068 2.274) 9.757 7.291 ( -20.464 -0.822 -5.313) 21.159 8.748 ( 7.080 3.353 0.568) 7.854 8.901 ( 4.083 -0.772 -3.501) 5.434 9.110 ( 1.998 -0.875 7.492) 7.803 9.709 ( 0.095 0.001 -3.660) 3.661 ======================= Grid point 250 (96/196) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.000 6.040 1.606) 6.250 0.828 ( -0.000 -2.852 4.289) 5.150 0.915 ( 0.000 11.108 -4.178) 11.868 0.943 ( -0.000 -2.203 -0.958) 2.402 1.024 ( 0.000 0.316 0.249) 0.402 1.059 ( 0.000 0.190 -0.463) 0.500 1.346 ( -0.000 -2.667 -5.506) 6.117 1.479 ( -0.000 -7.942 -11.353) 13.855 1.723 ( 0.000 10.297 16.224) 19.216 2.298 ( -0.000 -0.445 17.758) 17.764 2.999 ( 0.000 6.485 2.397) 6.914 3.004 ( 0.000 3.238 13.223) 13.613 3.251 ( 0.000 1.219 -1.573) 1.990 3.296 ( -0.000 -2.461 2.592) 3.575 3.391 ( -0.000 -4.953 47.841) 48.097 3.989 ( 0.000 4.814 -4.602) 6.660 4.314 ( 0.000 0.437 0.580) 0.726 4.353 ( 0.000 3.533 -2.639) 4.410 4.389 ( 0.000 0.405 -0.606) 0.729 4.567 ( -0.000 -4.187 -7.498) 8.588 4.800 ( -0.000 -1.731 5.206) 5.486 5.079 ( -0.000 -3.107 13.316) 13.674 6.251 ( -0.000 -0.570 -8.299) 8.318 6.663 ( -0.000 -0.109 1.806) 1.809 6.826 ( -0.000 -1.348 -8.724) 8.827 6.879 ( -0.000 -0.231 -1.565) 1.582 8.792 ( 0.000 5.016 0.627) 5.055 8.943 ( -0.000 -0.594 -2.440) 2.512 9.143 ( -0.000 -1.850 5.918) 6.200 9.710 ( -0.000 -0.017 -3.639) 3.639 ======================= Grid point 261 (97/196) ======================= q-point: (-0.54 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -0.184 -0.000 3.380) 3.385 0.913 ( 0.252 0.000 -0.163) 0.300 0.924 ( 0.332 0.000 -0.807) 0.873 1.013 ( -8.698 -0.000 2.820) 9.144 1.112 ( -4.409 -0.000 -4.144) 6.051 1.239 ( -16.781 -0.000 -1.537) 16.851 1.334 ( -1.251 -0.000 -5.565) 5.704 1.417 ( -2.634 -0.000 -11.462) 11.760 1.829 ( -0.944 -0.000 13.047) 13.081 2.265 ( 2.412 0.000 20.951) 21.089 2.943 ( 1.555 0.000 13.821) 13.908 3.131 ( 8.053 0.000 -1.401) 8.174 3.155 ( -3.743 -0.000 9.645) 10.346 3.363 ( -3.663 -0.000 -0.516) 3.699 3.480 ( -10.944 -0.000 33.916) 35.638 3.994 ( 9.051 0.000 -5.300) 10.488 4.160 ( 5.497 0.000 3.470) 6.500 4.360 ( 3.191 0.000 -0.998) 3.343 4.402 ( 0.606 0.000 -3.882) 3.929 4.609 ( -6.006 -0.000 -4.176) 7.316 4.786 ( 0.611 0.000 3.711) 3.761 5.025 ( 2.797 0.000 12.007) 12.329 6.252 ( -0.581 -0.000 -8.536) 8.556 6.427 ( 18.179 0.000 -5.557) 19.009 6.749 ( -8.622 -0.000 2.554) 8.992 7.286 ( -20.266 -0.000 -5.260) 20.937 8.769 ( 7.523 0.000 0.403) 7.534 8.896 ( 3.969 0.000 -3.365) 5.204 9.105 ( 1.707 0.000 7.672) 7.859 9.709 ( 0.088 0.000 -3.679) 3.680 ======================= Grid point 263 (98/196) ======================= q-point: (-0.46 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -0.000 -1.202 3.891) 4.073 0.833 ( 0.000 3.119 0.725) 3.202 0.918 ( -0.000 -1.862 -0.476) 1.922 1.017 ( 0.000 5.418 -3.828) 6.634 1.027 ( 0.000 0.120 0.225) 0.255 1.060 ( 0.000 0.074 -0.508) 0.513 1.323 ( -0.000 -1.042 -6.633) 6.714 1.404 ( -0.000 -4.316 -12.753) 13.464 1.810 ( 0.000 4.263 14.349) 14.969 2.290 ( -0.000 -0.588 20.912) 20.920 3.028 ( 0.000 1.006 18.564) 18.591 3.051 ( 0.000 2.366 2.124) 3.179 3.261 ( 0.000 0.436 -1.211) 1.287 3.277 ( -0.000 -0.857 -0.403) 0.946 3.356 ( -0.000 -1.436 45.141) 45.163 4.028 ( 0.000 1.758 -2.544) 3.092 4.317 ( 0.000 0.127 0.612) 0.625 4.392 ( 0.000 0.148 -0.579) 0.597 4.397 ( 0.000 3.410 -3.430) 4.837 4.513 ( -0.000 -4.072 -6.300) 7.502 4.791 ( -0.000 -0.195 3.155) 3.161 5.056 ( -0.000 -1.024 12.370) 12.413 6.247 ( -0.000 -0.214 -8.491) 8.494 6.662 ( -0.000 -0.032 1.778) 1.778 6.816 ( -0.000 -0.453 -8.756) 8.768 6.877 ( -0.000 -0.093 -1.569) 1.572 8.837 ( 0.000 2.361 0.245) 2.374 8.934 ( -0.000 -0.665 -2.401) 2.491 9.127 ( -0.000 -0.817 6.659) 6.709 9.710 ( -0.000 -0.007 -3.686) 3.686 ======================= Grid point 350 (99/196) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 0.000 12.206) 12.206 0.726 ( 0.000 0.000 18.231) 18.231 0.912 ( 0.000 0.000 -4.982) 4.982 1.025 ( 0.000 0.000 0.562) 0.562 1.044 ( 0.000 0.000 -0.353) 0.353 1.196 ( 0.000 0.000 0.540) 0.540 1.473 ( 0.000 0.000 5.918) 5.918 1.491 ( 0.000 0.000 -2.196) 2.196 1.751 ( 0.000 0.000 17.137) 17.137 2.570 ( 0.000 0.000 17.406) 17.406 2.572 ( 0.000 0.000 -11.580) 11.580 2.724 ( 0.000 0.000 7.334) 7.334 3.049 ( 0.000 0.000 -7.873) 7.873 3.300 ( 0.000 0.000 -17.870) 17.870 3.732 ( 0.000 0.000 14.187) 14.187 4.196 ( 0.000 0.000 5.157) 5.157 4.292 ( 0.000 0.000 1.282) 1.282 4.298 ( 0.000 0.000 -12.292) 12.292 4.345 ( 0.000 0.000 -1.253) 1.253 4.412 ( 0.000 0.000 -4.526) 4.526 5.280 ( 0.000 0.000 14.241) 14.241 5.870 ( 0.000 0.000 -13.994) 13.994 6.522 ( 0.000 0.000 5.361) 5.361 6.724 ( 0.000 0.000 3.103) 3.103 6.763 ( 0.000 0.000 -6.495) 6.495 6.847 ( 0.000 0.000 -2.675) 2.675 8.603 ( 0.000 0.000 3.529) 3.529 8.774 ( 0.000 0.000 -4.843) 4.843 9.283 ( 0.000 0.000 9.561) 9.561 9.614 ( 0.000 0.000 -6.503) 6.503 ======================= Grid point 351 (100/196) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 5.184 -1.366 9.397) 10.819 0.788 ( 6.371 1.200 14.879) 16.230 0.932 ( 0.210 0.028 -3.347) 3.354 1.069 ( 3.826 0.245 1.270) 4.039 1.128 ( 8.503 0.623 -1.498) 8.656 1.195 ( 1.815 0.825 1.230) 2.343 1.496 ( 3.840 0.834 2.341) 4.574 1.527 ( 2.883 -1.154 -2.636) 4.073 1.768 ( 2.386 -0.854 18.441) 18.615 2.534 ( 0.199 5.258 -3.527) 6.335 2.623 ( 1.553 -7.535 8.396) 11.387 2.866 ( 11.911 -1.371 7.141) 13.955 3.064 ( 1.750 -1.304 -4.746) 5.224 3.373 ( 5.573 -2.540 -16.447) 17.550 3.684 ( -4.383 0.948 12.985) 13.738 4.112 ( -5.278 0.002 1.037) 5.379 4.271 ( -1.240 0.572 -8.518) 8.627 4.326 ( -0.973 0.372 -3.027) 3.201 4.396 ( 6.279 1.098 0.755) 6.419 4.461 ( 3.618 -0.986 -2.271) 4.384 5.271 ( -0.778 0.414 14.794) 14.820 5.655 ( -21.482 2.186 7.764) 22.946 6.132 ( -9.843 1.097 -4.623) 10.930 6.296 ( -21.544 0.428 -5.056) 22.133 7.159 ( 19.339 2.229 1.237) 19.507 7.351 ( 24.921 3.202 -10.148) 27.098 8.562 ( -4.349 -1.119 3.544) 5.721 8.738 ( -4.104 -1.394 -5.106) 6.698 9.274 ( -0.956 -0.307 9.709) 9.761 9.611 ( -0.342 0.017 -6.604) 6.613 ======================= Grid point 352 (101/196) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 2.824 -2.065 4.742) 5.893 0.895 ( 0.930 1.749 -0.182) 1.989 0.943 ( 5.469 1.509 7.071) 9.066 1.100 ( 0.059 0.843 3.528) 3.628 1.275 ( 7.715 0.655 2.651) 8.184 1.321 ( 6.537 -1.896 -0.163) 6.809 1.568 ( 2.664 1.179 -4.676) 5.509 1.655 ( 10.834 1.290 -4.696) 11.878 1.892 ( 9.578 -2.809 17.890) 20.486 2.507 ( -1.000 2.137 -8.223) 8.555 2.729 ( 5.695 -4.104 14.842) 16.419 3.096 ( 8.622 2.224 2.472) 9.241 3.179 ( 10.568 -4.610 5.040) 12.584 3.480 ( 2.007 -2.896 -9.439) 10.075 3.570 ( -6.066 1.251 9.841) 11.628 4.026 ( -3.139 0.552 -8.394) 8.978 4.255 ( 0.608 0.924 -3.590) 3.757 4.306 ( -0.863 1.317 -3.610) 3.939 4.480 ( 3.532 3.080 1.423) 4.898 4.543 ( 3.428 -2.110 -1.463) 4.283 5.240 ( -3.385 1.987 17.181) 17.624 5.281 ( -11.659 0.502 16.775) 20.435 5.941 ( -14.324 -0.052 -7.427) 16.135 6.056 ( -1.072 -0.036 -13.887) 13.928 7.449 ( 12.363 4.129 2.632) 13.297 7.656 ( 9.891 3.949 -8.060) 13.356 8.455 ( -7.353 -1.545 3.190) 8.163 8.631 ( -7.724 -1.514 -5.351) 9.518 9.253 ( -1.259 -0.233 10.113) 10.194 9.602 ( -0.507 -0.013 -6.840) 6.859 ======================= Grid point 353 (102/196) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 1.967 -1.413 1.068) 2.647 0.872 ( -0.786 0.372 -1.302) 1.565 1.050 ( 4.839 1.981 3.981) 6.572 1.091 ( -0.709 -0.710 3.661) 3.796 1.399 ( 4.467 -0.606 4.698) 6.511 1.421 ( 4.231 0.605 -0.135) 4.276 1.599 ( 1.759 0.747 -1.053) 2.182 1.874 ( 10.631 0.389 -7.579) 13.062 2.116 ( 10.670 -0.608 9.807) 14.505 2.469 ( -1.541 2.117 -6.854) 7.337 2.869 ( 6.801 0.090 19.810) 20.945 3.234 ( 7.936 1.253 4.461) 9.190 3.364 ( -0.282 1.253 5.244) 5.399 3.447 ( -7.298 -0.844 1.413) 7.481 3.505 ( 6.514 -0.295 3.094) 7.217 3.989 ( -0.876 -0.024 -15.912) 15.936 4.245 ( -2.356 3.053 0.586) 3.901 4.321 ( 4.348 -0.222 -2.381) 4.962 4.516 ( 2.449 2.917 1.990) 4.297 4.605 ( 2.241 -0.648 -2.594) 3.488 5.094 ( -4.711 2.108 16.080) 16.888 5.209 ( -2.524 0.711 17.911) 18.102 5.756 ( -5.319 -1.376 -8.429) 10.061 6.051 ( 0.152 -0.421 -15.592) 15.599 7.591 ( 5.201 5.179 2.514) 7.758 7.738 ( 1.293 1.845 -4.505) 5.037 8.304 ( -8.593 -0.674 2.655) 9.019 8.470 ( -9.120 -1.032 -5.350) 10.624 9.231 ( -1.107 -0.185 10.440) 10.500 9.592 ( -0.538 -0.084 -7.101) 7.121 ======================= Grid point 354 (103/196) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -0.098 -0.071 0.761) 0.771 0.886 ( 1.459 -1.152 -1.314) 2.277 1.065 ( -1.483 -0.290 2.846) 3.222 1.114 ( 1.307 -0.997 -0.597) 1.749 1.468 ( 3.095 -0.253 4.282) 5.290 1.483 ( 3.183 2.819 0.250) 4.259 1.638 ( 2.107 -0.686 2.490) 3.333 2.019 ( 3.941 -0.261 -10.433) 11.155 2.267 ( 5.047 2.192 6.474) 8.497 2.430 ( -0.601 4.007 -2.445) 4.732 2.966 ( 4.326 4.375 21.043) 21.924 3.244 ( -9.424 1.240 3.259) 10.048 3.295 ( -4.977 1.725 0.188) 5.271 3.398 ( 8.899 0.725 5.544) 10.509 3.654 ( 5.876 3.673 -2.627) 7.411 3.983 ( 0.073 -0.651 -15.019) 15.033 4.192 ( -0.936 -0.227 7.843) 7.902 4.403 ( 2.584 0.441 -2.767) 3.812 4.550 ( 2.962 3.338 2.705) 5.218 4.652 ( 3.092 0.682 -2.922) 4.309 5.021 ( -2.029 2.890 15.599) 15.994 5.145 ( -3.524 1.251 19.999) 20.346 5.737 ( 1.725 -2.547 -8.919) 9.435 6.060 ( 0.293 -0.636 -15.842) 15.857 7.606 ( -0.204 4.182 1.788) 4.553 7.713 ( -2.789 -0.004 -3.049) 4.133 8.138 ( -8.237 0.999 2.865) 8.778 8.309 ( -7.620 -0.571 -5.520) 9.427 9.213 ( -0.818 -0.246 10.590) 10.624 9.583 ( -0.467 -0.148 -7.329) 7.345 ======================= Grid point 355 (104/196) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.778 -0.735 1.784) 2.080 0.918 ( 1.119 -0.558 -0.531) 1.359 1.026 ( -2.671 -0.252 2.022) 3.360 1.126 ( -0.562 -1.226 -2.386) 2.741 1.516 ( 2.085 2.310 -0.037) 3.112 1.534 ( 3.054 0.011 0.977) 3.207 1.685 ( 2.778 -0.769 4.614) 5.441 2.034 ( -1.944 0.630 -9.907) 10.116 2.297 ( 0.529 3.128 6.937) 7.629 2.395 ( -0.807 4.289 1.445) 4.598 2.978 ( -1.933 2.923 6.620) 7.490 3.061 ( -6.416 2.132 4.725) 8.249 3.227 ( -0.105 4.255 2.224) 4.803 3.556 ( 6.092 -1.322 8.445) 10.497 3.687 ( 1.903 4.724 -6.209) 8.031 3.995 ( 0.519 -0.533 -13.842) 13.862 4.214 ( 1.821 -1.018 8.638) 8.886 4.395 ( -2.346 0.933 -2.744) 3.729 4.603 ( 4.348 2.617 4.589) 6.842 4.711 ( 2.887 1.010 -1.523) 3.417 4.974 ( -1.162 2.740 17.704) 17.952 5.063 ( -3.858 1.237 22.054) 22.423 5.825 ( 5.084 -2.583 -9.578) 11.147 6.062 ( -0.682 -0.528 -15.016) 15.041 7.566 ( -1.398 1.972 0.515) 2.472 7.645 ( -4.069 -0.581 -2.881) 5.020 7.986 ( -6.262 1.801 3.917) 7.602 8.190 ( -4.788 -0.123 -6.087) 7.745 9.202 ( -0.475 -0.256 10.639) 10.653 9.576 ( -0.307 -0.149 -7.485) 7.493 ======================= Grid point 356 (105/196) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 1.481 -0.717 2.415) 2.922 0.928 ( -0.379 0.102 -0.764) 0.859 0.978 ( -1.568 0.050 3.999) 4.296 1.115 ( -0.665 -0.332 -2.487) 2.596 1.534 ( 0.872 1.350 -0.610) 1.719 1.569 ( 0.447 -0.413 -2.169) 2.253 1.777 ( 5.522 -1.594 3.082) 6.522 1.950 ( -5.119 1.846 -4.663) 7.166 2.289 ( 0.274 1.266 6.146) 6.281 2.357 ( -0.764 1.917 3.501) 4.064 2.887 ( -3.468 0.357 -3.141) 4.693 2.984 ( -1.642 1.343 -2.081) 2.972 3.235 ( 1.792 2.457 10.351) 10.788 3.609 ( 0.044 -0.237 5.956) 5.961 3.735 ( 3.285 0.764 1.003) 3.518 3.997 ( -0.322 0.080 -15.432) 15.435 4.245 ( 1.026 0.333 3.050) 3.236 4.339 ( -2.130 0.163 -1.534) 2.630 4.674 ( 3.293 0.928 4.538) 5.684 4.737 ( 0.165 0.391 0.496) 0.653 4.946 ( -0.517 1.131 21.959) 21.994 4.998 ( -1.853 0.488 22.530) 22.611 5.936 ( 4.451 -1.374 -10.549) 11.532 6.033 ( -2.320 0.083 -13.625) 13.822 7.546 ( 0.183 0.778 -1.018) 1.294 7.580 ( -2.572 -0.648 -2.558) 3.685 7.890 ( -2.451 0.894 4.878) 5.532 8.127 ( -1.662 0.043 -6.666) 6.870 9.197 ( -0.150 -0.112 10.651) 10.652 9.573 ( -0.105 -0.064 -7.557) 7.558 ======================= Grid point 364 (106/196) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 2.986 0.000 5.315) 6.096 0.905 ( -0.128 -0.000 -1.865) 1.870 0.953 ( 6.570 0.000 8.364) 10.636 1.105 ( -0.341 -0.000 4.057) 4.071 1.284 ( 6.365 0.000 4.053) 7.546 1.305 ( 7.546 0.000 -1.614) 7.716 1.574 ( 3.170 0.000 -3.983) 5.090 1.662 ( 10.517 0.000 -4.683) 11.512 1.876 ( 9.927 0.000 17.614) 20.219 2.522 ( -1.995 -0.000 -11.997) 12.162 2.703 ( 7.579 0.000 18.315) 19.821 3.125 ( 4.997 0.000 0.413) 5.015 3.136 ( 15.211 0.000 7.019) 16.752 3.463 ( 2.740 0.000 -10.041) 10.408 3.578 ( -6.338 -0.000 9.955) 11.801 4.029 ( -3.120 -0.000 -8.175) 8.750 4.259 ( 0.645 0.000 -4.208) 4.257 4.314 ( -0.756 -0.000 -3.676) 3.753 4.514 ( 5.046 0.000 -0.594) 5.081 4.515 ( 2.112 0.000 0.045) 2.112 5.251 ( -1.416 -0.000 15.827) 15.891 5.285 ( -14.151 -0.000 17.784) 22.727 5.941 ( -14.623 -0.000 -7.130) 16.269 6.056 ( -1.224 -0.000 -13.857) 13.911 7.473 ( 12.262 0.000 2.378) 12.490 7.680 ( 9.043 0.000 -8.487) 12.402 8.445 ( -7.088 -0.000 3.189) 7.772 8.621 ( -7.436 -0.000 -5.267) 9.113 9.251 ( -1.196 -0.000 10.205) 10.275 9.602 ( -0.522 -0.000 -6.837) 6.857 ======================= Grid point 365 (107/196) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 2.908 -0.577 0.945) 3.112 0.875 ( -1.717 0.186 -1.935) 2.594 1.067 ( 4.187 0.821 3.685) 5.638 1.086 ( -1.381 -0.261 4.903) 5.101 1.394 ( 4.644 -0.267 5.480) 7.188 1.426 ( 5.460 0.249 -1.025) 5.561 1.604 ( 0.838 0.264 -1.187) 1.477 1.878 ( 10.208 0.186 -7.550) 12.698 2.110 ( 12.001 -0.282 10.054) 15.659 2.486 ( -1.278 0.736 -8.521) 8.648 2.870 ( 8.848 0.067 21.483) 23.233 3.242 ( 6.742 0.322 6.176) 9.149 3.378 ( 2.571 1.045 6.344) 6.924 3.437 ( -5.501 -0.799 -1.441) 5.742 3.501 ( 5.368 -0.246 3.892) 6.635 3.989 ( -1.309 0.013 -16.100) 16.154 4.272 ( -3.386 1.384 -1.309) 3.885 4.318 ( 4.838 -0.207 -2.454) 5.429 4.543 ( 1.931 1.461 1.319) 2.757 4.597 ( 3.174 -0.638 -2.271) 3.954 5.110 ( -4.732 0.733 16.220) 16.912 5.214 ( -2.358 0.242 17.969) 18.125 5.745 ( -5.712 -0.459 -8.106) 9.927 6.047 ( 0.070 -0.164 -15.759) 15.760 7.633 ( 4.983 1.977 1.753) 5.640 7.752 ( -0.212 0.648 -3.970) 4.028 8.299 ( -7.892 -0.239 2.438) 8.264 8.461 ( -8.806 -0.432 -5.300) 10.287 9.229 ( -1.093 -0.074 10.476) 10.533 9.591 ( -0.560 -0.031 -7.109) 7.131 ======================= Grid point 366 (108/196) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -0.108 0.980 -0.593) 1.151 0.868 ( 1.330 -1.892 -2.264) 3.237 1.058 ( -1.800 -0.723 3.735) 4.208 1.111 ( 0.970 0.101 0.187) 0.993 1.467 ( 3.142 0.020 3.974) 5.066 1.511 ( 3.706 1.868 -0.767) 4.220 1.630 ( 1.883 -0.624 3.225) 3.786 2.017 ( 3.986 -0.056 -10.329) 11.072 2.286 ( 5.748 1.078 6.466) 8.718 2.465 ( -0.260 2.062 -3.284) 3.887 3.010 ( 5.587 3.057 23.073) 23.935 3.245 ( -9.142 -0.571 5.128) 10.497 3.311 ( -3.806 1.068 0.472) 3.982 3.409 ( 7.013 1.017 4.879) 8.604 3.688 ( 7.873 2.058 -1.980) 8.375 3.975 ( -0.190 -0.635 -16.122) 16.135 4.192 ( -2.682 0.213 6.353) 6.899 4.407 ( 2.885 0.233 -3.240) 4.345 4.580 ( 2.824 1.919 1.977) 3.945 4.658 ( 3.448 0.316 -2.795) 4.450 5.047 ( -1.973 1.646 15.448) 15.660 5.156 ( -3.446 0.647 20.318) 20.618 5.715 ( 1.621 -1.334 -8.647) 8.899 6.054 ( 0.313 -0.356 -16.133) 16.140 7.650 ( -1.293 3.308 0.694) 3.619 7.708 ( -3.583 -0.993 -1.975) 4.210 8.148 ( -7.566 0.620 2.371) 7.953 8.303 ( -7.356 -0.363 -5.278) 9.061 9.211 ( -0.829 -0.141 10.605) 10.638 9.582 ( -0.474 -0.083 -7.357) 7.372 ======================= Grid point 367 (109/196) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 0.585 -0.107 0.752) 0.959 0.908 ( 1.446 -1.085 -2.114) 2.781 1.021 ( -2.356 -0.480 2.213) 3.268 1.116 ( -0.293 -0.548 -1.740) 1.848 1.523 ( 2.554 -0.080 0.663) 2.640 1.551 ( 1.666 1.893 -0.268) 2.536 1.679 ( 3.073 -0.230 5.541) 6.340 2.041 ( -1.156 0.488 -9.886) 9.965 2.323 ( -0.370 1.597 6.955) 7.146 2.436 ( -1.561 2.842 0.567) 3.292 3.014 ( -4.391 3.294 5.934) 8.083 3.079 ( -5.262 0.905 6.787) 8.635 3.267 ( -0.075 2.544 3.461) 4.296 3.545 ( 5.972 -0.603 8.202) 10.164 3.737 ( 0.476 3.710 -5.535) 6.680 3.986 ( 0.676 -0.833 -15.089) 15.127 4.202 ( 2.564 -0.999 9.529) 9.918 4.404 ( -2.493 0.646 -3.070) 4.007 4.630 ( 3.546 2.010 3.663) 5.480 4.721 ( 2.720 0.654 -1.578) 3.212 5.001 ( -1.759 1.948 17.208) 17.407 5.076 ( -4.132 0.908 22.400) 22.796 5.800 ( 5.573 -1.726 -9.328) 11.003 6.057 ( -0.469 -0.343 -15.372) 15.383 7.588 ( -2.516 1.702 -0.172) 3.043 7.636 ( -4.209 -0.904 -2.258) 4.861 8.005 ( -6.330 1.380 3.386) 7.310 8.189 ( -4.574 -0.083 -5.701) 7.309 9.200 ( -0.433 -0.186 10.649) 10.659 9.575 ( -0.278 -0.105 -7.522) 7.528 ======================= Grid point 368 (110/196) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 1.848 -0.420 2.079) 2.813 0.928 ( 0.082 -0.086 -1.365) 1.370 0.979 ( -1.620 0.028 3.651) 3.995 1.111 ( -0.273 -0.322 -2.406) 2.443 1.546 ( -0.648 0.688 -0.935) 1.330 1.565 ( 0.809 -0.341 -1.915) 2.107 1.767 ( 5.768 -0.268 3.948) 6.995 1.973 ( -4.888 1.943 -5.306) 7.471 2.290 ( -2.160 -0.747 6.779) 7.154 2.379 ( -2.458 1.692 2.739) 4.051 2.898 ( -3.566 1.496 -2.659) 4.693 3.002 ( -2.676 1.647 -1.882) 3.663 3.252 ( -1.390 0.434 10.683) 10.782 3.614 ( 1.360 1.185 5.977) 6.243 3.740 ( 1.276 0.076 1.655) 2.091 3.997 ( -0.093 -0.152 -15.966) 15.967 4.250 ( 1.465 0.511 3.194) 3.551 4.337 ( -3.045 -0.399 -1.487) 3.412 4.687 ( 2.557 1.172 4.093) 4.967 4.740 ( -0.490 0.108 0.571) 0.760 4.960 ( -1.484 1.250 21.624) 21.710 5.002 ( -2.618 0.101 22.638) 22.789 5.923 ( 5.520 -0.981 -10.386) 11.803 6.034 ( -1.999 0.033 -13.848) 13.991 7.553 ( -0.635 0.413 -1.325) 1.526 7.572 ( -2.132 -0.611 -2.275) 3.177 7.901 ( -3.266 0.929 4.609) 5.725 8.128 ( -1.653 0.092 -6.467) 6.676 9.196 ( -0.035 -0.099 10.655) 10.655 9.572 ( -0.039 -0.053 -7.575) 7.576 ======================= Grid point 369 (111/196) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -0.865 0.944 2.692) 2.981 0.926 ( 0.390 -0.357 -0.111) 0.540 0.978 ( 1.440 -0.071 4.383) 4.614 1.119 ( 1.110 0.245 -2.482) 2.730 1.516 ( -2.294 -1.672 -0.439) 2.872 1.574 ( -0.028 0.424 -2.713) 2.746 1.803 ( -4.911 2.973 2.013) 6.084 1.932 ( 4.714 -1.379 -3.914) 6.281 2.258 ( -2.404 -3.929 6.261) 7.773 2.340 ( -1.179 -1.194 3.478) 3.861 2.890 ( 3.337 0.870 -3.733) 5.082 2.974 ( 0.261 -0.475 -2.299) 2.362 3.198 ( -4.639 -3.969 10.807) 12.412 3.619 ( 0.320 1.422 5.157) 5.359 3.724 ( -4.462 -1.226 1.011) 4.736 3.995 ( 0.168 -0.301 -14.774) 14.778 4.243 ( -1.181 -0.071 2.698) 2.946 4.333 ( 1.773 -0.826 -1.631) 2.547 4.667 ( -4.232 -0.445 4.813) 6.424 4.731 ( -0.677 -0.543 0.553) 1.029 4.935 ( -0.812 -0.859 22.171) 22.202 4.991 ( 1.387 -0.652 22.564) 22.616 5.953 ( -3.382 1.595 -10.867) 11.492 6.031 ( 2.757 -0.235 -13.229) 13.515 7.536 ( -0.622 -0.925 -0.686) 1.309 7.586 ( 2.618 0.406 -2.841) 3.885 7.882 ( 1.561 -0.588 5.099) 5.365 8.127 ( 1.654 0.025 -6.842) 7.039 9.198 ( 0.272 0.099 10.647) 10.651 9.574 ( 0.175 0.059 -7.539) 7.541 ======================= Grid point 370 (112/196) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -0.794 1.177 2.810) 3.149 0.920 ( -1.091 -0.053 0.805) 1.356 1.025 ( 2.521 -0.428 2.743) 3.750 1.143 ( 1.380 1.536 -2.816) 3.492 1.481 ( -2.726 -3.273 0.868) 4.347 1.544 ( -2.743 1.422 -0.642) 3.156 1.698 ( -3.161 1.592 4.158) 5.461 2.027 ( 2.957 -0.596 -9.770) 10.225 2.250 ( -1.201 -5.171 7.056) 8.830 2.344 ( -0.380 -4.403 2.364) 5.012 2.949 ( -1.065 -2.213 7.434) 7.829 3.035 ( 6.928 -2.229 2.966) 7.859 3.174 ( 0.883 -5.029 0.711) 5.155 3.572 ( -7.396 1.218 6.489) 9.915 3.635 ( -2.465 -4.078 -5.024) 6.925 3.997 ( -0.409 -0.146 -12.629) 12.637 4.224 ( -0.906 0.616 7.467) 7.547 4.383 ( 2.200 -1.047 -2.462) 3.464 4.574 ( -5.395 -2.418 5.749) 8.247 4.699 ( -3.065 -1.152 -1.439) 3.577 4.941 ( 0.415 -2.892 18.331) 18.562 5.049 ( 3.532 -1.257 21.634) 21.956 5.857 ( -4.447 2.969 -9.904) 11.255 6.068 ( 0.944 0.570 -14.517) 14.559 7.543 ( 0.317 -2.014 1.148) 2.340 7.649 ( 3.664 0.153 -3.444) 5.031 7.966 ( 6.178 -1.688 4.517) 7.837 8.191 ( 4.997 0.138 -6.507) 8.206 9.205 ( 0.528 0.264 10.629) 10.646 9.578 ( 0.343 0.160 -7.443) 7.452 ======================= Grid point 371 (113/196) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 0.104 0.951 2.035) 2.248 0.893 ( -1.604 0.060 0.311) 1.635 1.060 ( 0.269 -1.202 2.941) 3.189 1.136 ( -0.949 2.654 -2.486) 3.758 1.448 ( -2.538 -3.052 1.961) 4.427 1.476 ( -2.960 1.144 3.234) 4.531 1.645 ( -2.498 0.578 2.341) 3.472 2.024 ( -3.780 0.691 -10.408) 11.094 2.236 ( -3.872 -3.318 6.628) 8.363 2.376 ( 1.012 -5.509 -1.280) 5.745 2.915 ( -3.174 -4.360 18.759) 19.519 3.216 ( 8.369 -3.327 2.002) 9.226 3.274 ( 6.897 -1.982 -0.737) 7.214 3.392 ( -9.752 -0.621 3.487) 10.375 3.610 ( -3.981 -3.761 -1.166) 5.600 3.987 ( -0.293 0.072 -13.528) 13.531 4.199 ( -0.586 1.058 8.894) 8.976 4.397 ( -2.160 -0.595 -2.108) 3.076 4.507 ( -3.155 -3.949 3.764) 6.302 4.643 ( -2.681 -0.917 -3.122) 4.216 4.983 ( 2.037 -3.544 15.939) 16.455 5.128 ( 3.565 -1.578 19.520) 19.906 5.772 ( -1.818 3.384 -9.279) 10.043 6.068 ( -0.314 0.744 -15.418) 15.439 7.557 ( -1.325 -4.394 2.825) 5.389 7.709 ( 1.847 -0.797 -4.010) 4.486 8.126 ( 9.143 -1.048 3.473) 9.836 8.316 ( 7.922 0.587 -5.828) 9.852 9.216 ( 0.798 0.290 10.573) 10.607 9.585 ( 0.457 0.181 -7.291) 7.308 ======================= Grid point 372 (114/196) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -0.489 1.614 1.422) 2.206 0.867 ( -0.585 -0.476 0.006) 0.754 1.026 ( -5.122 -2.044 4.051) 6.842 1.101 ( -0.717 1.103 1.264) 1.825 1.405 ( -4.499 -0.020 1.096) 4.631 1.415 ( -2.438 -0.007 3.753) 4.476 1.588 ( -3.213 -1.100 -0.704) 3.468 1.870 ( -11.361 -0.213 -7.549) 13.643 2.122 ( -8.393 0.451 9.471) 12.663 2.438 ( 2.326 -3.202 -4.301) 5.844 2.868 ( -3.487 0.039 17.323) 17.670 3.215 ( -8.367 -1.935 2.207) 8.867 3.351 ( 3.252 -1.159 4.863) 5.964 3.455 ( 8.908 0.424 2.270) 9.203 3.504 ( -6.469 -0.383 3.151) 7.206 3.989 ( 0.376 -0.060 -15.181) 15.186 4.210 ( 0.906 -2.771 3.399) 4.478 4.322 ( -4.130 0.095 -1.946) 4.567 4.480 ( -2.311 -3.426 2.927) 5.064 4.610 ( -1.448 0.259 -3.051) 3.388 5.063 ( 4.583 -3.212 16.054) 17.001 5.199 ( 2.898 -1.058 17.756) 18.022 5.776 ( 4.591 2.210 -9.002) 10.343 6.056 ( -0.330 0.495 -15.322) 15.334 7.521 ( -6.148 -6.797 3.691) 9.880 7.712 ( -2.949 -2.588 -5.301) 6.595 8.314 ( 9.761 0.944 2.918) 10.231 8.483 ( 9.519 1.151 -5.369) 10.989 9.233 ( 1.093 0.218 10.392) 10.452 9.593 ( 0.497 0.117 -7.088) 7.107 ======================= Grid point 373 (115/196) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -2.313 3.555 3.275) 5.359 0.867 ( -2.874 -2.735 3.287) 5.153 0.927 ( -3.161 -1.015 4.143) 5.309 1.086 ( -1.277 -1.592 2.172) 2.980 1.274 ( -8.586 0.309 2.559) 8.964 1.339 ( -6.125 1.203 0.238) 6.246 1.546 ( -2.280 -2.673 -5.689) 6.686 1.634 ( -11.826 -2.186 -4.770) 12.938 1.937 ( -8.037 4.857 17.933) 20.242 2.482 ( 0.482 -1.939 -3.087) 3.678 2.786 ( -2.660 5.601 10.554) 12.241 3.080 ( -7.091 -0.550 2.175) 7.437 3.235 ( -9.278 5.089 5.667) 12.004 3.519 ( 1.657 2.580 -5.450) 6.254 3.555 ( 3.880 -0.390 7.004) 8.016 4.017 ( 3.025 -0.908 -9.011) 9.549 4.234 ( -0.102 -2.798 -1.063) 2.994 4.291 ( 0.511 -1.160 -3.747) 3.955 4.447 ( -3.076 -2.628 2.955) 5.010 4.563 ( -3.133 1.494 -2.187) 4.102 5.206 ( 5.731 -3.837 19.117) 20.323 5.275 ( 7.996 -0.582 15.748) 17.671 5.943 ( 13.476 0.209 -8.270) 15.813 6.056 ( 0.684 -0.011 -13.962) 13.979 7.381 ( -12.778 -7.542 3.506) 15.246 7.602 ( -11.407 -5.051 -7.549) 14.581 8.479 ( 8.065 2.638 3.137) 9.047 8.652 ( 8.300 2.003 -5.355) 10.079 9.256 ( 1.357 0.244 9.930) 10.026 9.602 ( 0.462 0.015 -6.852) 6.868 ======================= Grid point 374 (116/196) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -4.730 3.420 7.873) 9.801 0.769 ( -5.816 -1.517 13.867) 15.114 0.931 ( 0.154 -0.147 -3.019) 3.027 1.060 ( -2.953 -1.607 1.088) 3.534 1.116 ( -6.883 -1.365 -0.637) 7.046 1.182 ( -6.107 -1.137 0.411) 6.226 1.480 ( -4.936 -2.118 -0.913) 5.448 1.534 ( -0.914 -0.920 -6.177) 6.312 1.797 ( -3.038 4.793 23.372) 24.051 2.487 ( -0.758 -2.545 1.254) 2.937 2.720 ( 0.169 8.953 4.639) 10.085 2.898 ( -9.933 4.195 6.573) 12.628 3.092 ( -2.500 3.445 -3.559) 5.548 3.428 ( -4.701 6.926 -15.566) 17.674 3.663 ( 4.188 -2.719 13.031) 13.954 4.110 ( 5.520 -0.390 0.417) 5.550 4.257 ( 0.975 -1.884 -6.589) 6.922 4.318 ( 1.236 -1.030 -3.081) 3.476 4.381 ( -4.834 -1.081 2.079) 5.372 4.477 ( -4.282 1.544 -2.978) 5.439 5.261 ( 0.882 -1.281 16.249) 16.323 5.606 ( 20.160 -6.113 12.214) 24.351 6.110 ( 6.598 -2.384 -6.776) 9.754 6.287 ( 21.185 -1.140 -6.046) 22.060 7.109 ( -19.375 -6.376 1.843) 20.480 7.295 ( -24.154 -5.704 -8.327) 26.179 8.587 ( 4.565 3.061 3.471) 6.501 8.765 ( 4.531 2.855 -5.410) 7.612 9.279 ( 1.138 0.543 9.212) 9.298 9.610 ( 0.319 -0.057 -6.625) 6.633 ======================= Grid point 375 (117/196) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.000 3.240 11.246) 11.703 0.716 ( -0.000 -1.430 17.405) 17.464 0.914 ( 0.000 0.319 -4.837) 4.847 1.025 ( -0.000 -0.002 0.566) 0.566 1.044 ( 0.000 0.057 -0.365) 0.369 1.170 ( -0.000 -4.562 -0.021) 4.563 1.445 ( -0.000 -2.299 3.221) 3.957 1.523 ( 0.000 2.127 -4.260) 4.761 1.756 ( 0.000 1.666 21.349) 21.414 2.499 ( -0.000 -4.297 3.047) 5.267 2.679 ( 0.000 10.597 3.495) 11.159 2.745 ( 0.000 3.773 7.137) 8.073 3.060 ( 0.000 1.830 -7.550) 7.768 3.334 ( 0.000 5.796 -17.376) 18.317 3.720 ( -0.000 -2.038 14.214) 14.359 4.197 ( -0.000 -0.085 5.086) 5.087 4.282 ( -0.000 -2.352 -10.390) 10.653 4.294 ( 0.000 0.480 1.243) 1.333 4.347 ( 0.000 0.296 -1.239) 1.274 4.416 ( 0.000 0.610 -5.346) 5.381 5.275 ( -0.000 -0.780 15.000) 15.020 5.854 ( -0.000 -3.091 -10.861) 11.292 6.422 ( -0.000 -15.442 8.627) 17.688 6.723 ( -0.000 -0.156 3.109) 3.113 6.751 ( -0.000 -2.418 -8.180) 8.529 6.846 ( -0.000 -0.080 -2.690) 2.691 8.616 ( 0.000 2.330 3.539) 4.237 8.792 ( 0.000 2.818 -5.250) 5.958 9.287 ( 0.000 0.718 9.079) 9.107 9.614 ( -0.000 -0.057 -6.516) 6.516 ======================= Grid point 378 (118/196) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -1.475 -0.000 -1.105) 1.843 0.849 ( 2.618 0.000 -2.575) 3.672 1.053 ( -1.770 -0.000 4.260) 4.613 1.112 ( 0.725 0.000 0.280) 0.777 1.468 ( 3.178 0.000 3.912) 5.040 1.522 ( 3.890 0.000 -1.511) 4.173 1.626 ( 1.791 0.000 3.782) 4.185 2.017 ( 3.990 0.000 -10.268) 11.016 2.292 ( 5.988 0.000 6.478) 8.822 2.477 ( -0.140 -0.000 -3.581) 3.584 3.029 ( 6.294 0.000 24.068) 24.877 3.240 ( -8.879 -0.000 5.625) 10.510 3.318 ( -3.568 -0.000 0.599) 3.618 3.416 ( 6.090 0.000 4.357) 7.488 3.699 ( 8.784 0.000 -1.396) 8.894 3.971 ( -0.360 -0.000 -16.589) 16.593 4.194 ( -3.434 -0.000 5.659) 6.619 4.408 ( 2.994 0.000 -3.412) 4.539 4.591 ( 2.751 0.000 1.723) 3.245 4.660 ( 3.612 0.000 -2.751) 4.540 5.057 ( -1.947 -0.000 15.400) 15.523 5.159 ( -3.403 -0.000 20.432) 20.713 5.708 ( 1.575 0.000 -8.541) 8.685 6.052 ( 0.327 0.000 -16.237) 16.240 7.674 ( -0.968 -0.000 -0.054) 0.970 7.696 ( -4.612 -0.000 -1.229) 4.773 8.151 ( -7.321 -0.000 2.181) 7.639 8.301 ( -7.248 -0.000 -5.184) 8.911 9.210 ( -0.833 -0.000 10.610) 10.643 9.581 ( -0.476 -0.000 -7.367) 7.382 ======================= Grid point 379 (119/196) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.216 0.135 0.130) 0.286 0.897 ( 1.979 -0.649 -3.185) 3.806 1.017 ( -2.053 -0.196 2.699) 3.397 1.113 ( -0.329 -0.126 -1.402) 1.446 1.523 ( 2.530 -0.018 0.990) 2.717 1.566 ( 0.881 0.677 -1.438) 1.817 1.678 ( 3.542 -0.018 6.407) 7.321 2.045 ( -0.721 0.183 -9.816) 9.844 2.335 ( -0.963 0.491 6.975) 7.058 2.458 ( -1.976 0.954 0.079) 2.195 3.048 ( -7.421 2.153 3.287) 8.397 3.080 ( -2.629 -0.489 10.445) 10.782 3.285 ( -0.346 0.756 4.218) 4.299 3.541 ( 6.099 -0.090 7.618) 9.759 3.767 ( -0.580 1.449 -4.659) 4.913 3.979 ( 0.862 -0.432 -16.161) 16.190 4.194 ( 2.961 -0.421 10.024) 10.460 4.409 ( -2.570 0.231 -3.280) 4.173 4.646 ( 3.133 0.754 3.163) 4.515 4.726 ( 2.614 0.218 -1.605) 3.075 5.016 ( -2.084 0.703 16.931) 17.074 5.083 ( -4.291 0.334 22.593) 23.000 5.787 ( 5.830 -0.603 -9.188) 10.898 6.054 ( -0.348 -0.114 -15.553) 15.557 7.604 ( -3.515 1.128 -0.821) 3.782 7.625 ( -3.930 -0.875 -1.656) 4.354 8.016 ( -6.370 0.516 3.080) 7.095 8.188 ( -4.435 -0.029 -5.467) 7.040 9.198 ( -0.409 -0.068 10.655) 10.663 9.574 ( -0.262 -0.038 -7.543) 7.548 ======================= Grid point 380 (120/196) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 1.998 -0.168 1.801) 2.695 0.927 ( 0.664 -0.121 -1.808) 1.930 0.979 ( -1.616 0.011 3.427) 3.789 1.108 ( -0.047 -0.194 -2.286) 2.295 1.550 ( -1.867 0.221 -1.192) 2.226 1.562 ( 1.167 -0.210 -1.873) 2.217 1.768 ( 5.816 0.239 4.471) 7.340 1.992 ( -4.309 1.320 -5.880) 7.408 2.279 ( -4.144 -0.914 7.529) 8.643 2.393 ( -3.704 0.727 2.013) 4.278 2.917 ( -3.610 1.500 -2.559) 4.672 3.018 ( -3.234 1.096 -1.682) 3.807 3.249 ( -3.817 -0.547 11.443) 12.075 3.631 ( 2.936 1.516 5.629) 6.527 3.738 ( -0.950 -0.429 2.406) 2.622 3.995 ( 0.268 -0.181 -16.237) 16.240 4.256 ( 2.425 0.443 3.227) 4.061 4.332 ( -4.338 -0.478 -1.577) 4.641 4.699 ( 2.283 0.909 3.685) 4.429 4.739 ( -1.199 -0.123 0.707) 1.397 4.973 ( -1.790 1.062 21.017) 21.120 5.000 ( -3.563 -0.295 23.085) 23.360 5.914 ( 6.297 -0.505 -10.324) 12.103 6.034 ( -1.809 0.020 -13.945) 14.062 7.555 ( -2.097 -0.005 -1.536) 2.599 7.567 ( -0.952 -0.221 -2.078) 2.296 7.910 ( -3.820 0.592 4.392) 5.851 8.129 ( -1.637 0.074 -6.307) 6.516 9.195 ( 0.047 -0.058 10.658) 10.658 9.572 ( 0.008 -0.030 -7.589) 7.589 ======================= Grid point 381 (121/196) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.070 0.986 2.863) 3.029 0.921 ( -0.245 -0.567 0.474) 0.779 0.977 ( 1.284 -0.069 4.689) 4.862 1.121 ( 1.473 0.134 -2.431) 2.845 1.499 ( -3.355 -1.335 -0.482) 3.643 1.578 ( 0.496 0.326 -3.401) 3.452 1.842 ( -3.635 3.562 0.768) 5.147 1.918 ( 3.509 -1.065 -3.024) 4.753 2.209 ( -4.094 -4.179 7.067) 9.174 2.328 ( -2.777 -1.021 2.784) 4.063 2.905 ( 3.152 1.602 -4.355) 5.609 2.972 ( -0.946 0.099 -2.790) 2.947 3.151 ( -6.708 -3.946 12.175) 14.450 3.638 ( -0.515 1.823 3.249) 3.761 3.708 ( -4.397 -1.424 2.280) 5.153 3.991 ( -0.285 -0.325 -14.226) 14.233 4.244 ( -1.801 0.169 2.219) 2.862 4.322 ( 1.943 -1.085 -1.647) 2.769 4.664 ( -5.108 -0.057 4.856) 7.048 4.725 ( -0.957 -0.486 0.705) 1.285 4.927 ( -2.147 -0.524 22.301) 22.410 4.984 ( 1.271 -0.538 22.640) 22.682 5.971 ( -2.696 1.500 -11.370) 11.781 6.027 ( 3.341 -0.453 -12.646) 13.087 7.526 ( -0.883 -0.758 -0.411) 1.235 7.589 ( 2.540 0.146 -3.044) 3.967 7.877 ( 0.823 -0.257 5.214) 5.285 8.128 ( 1.632 0.056 -6.959) 7.149 9.199 ( 0.372 0.067 10.645) 10.652 9.574 ( 0.235 0.042 -7.525) 7.529 ======================= Grid point 382 (122/196) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.934 1.161 3.475) 3.781 0.918 ( -1.012 -0.358 1.810) 2.105 1.017 ( 1.997 -0.889 3.989) 4.549 1.158 ( 2.243 1.142 -2.652) 3.656 1.446 ( -3.085 -2.757 1.030) 4.263 1.564 ( -1.828 1.957 -2.637) 3.758 1.721 ( -4.237 2.434 3.990) 6.308 2.021 ( 4.050 -0.565 -9.442) 10.289 2.184 ( -1.527 -6.095 7.647) 9.897 2.298 ( -1.782 -3.528 2.764) 4.823 2.926 ( -4.170 -1.900 9.362) 10.423 3.015 ( 6.789 -0.944 0.907) 6.914 3.117 ( 2.302 -4.725 -0.888) 5.330 3.567 ( -9.890 -2.382 -5.368) 11.502 3.613 ( -1.698 0.514 5.739) 6.007 3.992 ( -0.355 -0.753 -11.297) 11.328 4.228 ( -0.115 0.195 6.190) 6.194 4.372 ( 2.171 -0.961 -2.334) 3.329 4.550 ( -6.398 -1.634 6.824) 9.496 4.686 ( -3.213 -1.003 -1.341) 3.623 4.910 ( -0.310 -2.376 18.969) 19.120 5.036 ( 3.226 -1.000 21.239) 21.506 5.890 ( -3.814 2.693 -10.273) 11.284 6.074 ( 1.202 0.417 -13.951) 14.008 7.522 ( -0.574 -1.698 1.659) 2.442 7.648 ( 3.190 -0.177 -3.853) 5.006 7.949 ( 6.084 -1.196 5.005) 7.968 8.193 ( 5.147 0.121 -6.862) 8.579 9.208 ( 0.578 0.213 10.622) 10.640 9.580 ( 0.379 0.133 -7.404) 7.415 ======================= Grid point 383 (123/196) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.091 0.960 2.961) 3.114 0.890 ( -1.788 -0.299 1.796) 2.552 1.042 ( -0.490 -1.719 3.583) 4.005 1.167 ( -0.766 2.447 -3.914) 4.679 1.415 ( -1.714 -2.676 2.355) 3.956 1.497 ( -3.031 2.448 2.131) 4.441 1.651 ( -3.131 0.530 2.983) 4.356 2.035 ( -3.500 1.283 -10.142) 10.805 2.193 ( -1.962 -4.183 7.026) 8.409 2.309 ( 1.014 -6.044 -0.163) 6.131 2.870 ( -2.160 -3.581 16.569) 17.088 3.176 ( 7.616 -3.483 2.011) 8.613 3.250 ( 8.046 -2.167 -2.073) 8.587 3.378 ( -9.889 -2.017 -1.897) 10.269 3.577 ( -2.847 -1.750 2.912) 4.432 3.984 ( -0.531 -0.570 -11.770) 11.796 4.214 ( -1.059 1.478 8.956) 9.138 4.390 ( -1.707 -0.641 -1.414) 2.308 4.464 ( -3.515 -3.582 4.907) 7.019 4.632 ( -2.256 -0.886 -3.404) 4.178 4.943 ( 1.907 -3.459 16.556) 17.021 5.110 ( 3.564 -1.486 18.986) 19.375 5.812 ( -1.855 3.523 -9.684) 10.471 6.076 ( -0.400 0.625 -14.943) 14.961 7.509 ( -2.825 -3.904 3.715) 6.084 7.697 ( 0.964 -1.153 -4.736) 4.969 8.115 ( 10.014 -0.846 4.004) 10.818 8.322 ( 8.175 0.469 -6.118) 10.221 9.220 ( 0.773 0.266 10.558) 10.589 9.587 ( 0.445 0.172 -7.253) 7.269 ======================= Grid point 384 (124/196) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 0.436 1.411 1.869) 2.382 0.860 ( -1.363 -0.676 1.774) 2.337 1.006 ( -4.341 -1.382 3.698) 5.868 1.116 ( -2.457 1.445 -1.827) 3.385 1.395 ( -2.325 -1.254 0.242) 2.653 1.425 ( -3.527 1.415 4.612) 5.976 1.574 ( -4.842 -1.280 0.189) 5.012 1.870 ( -12.248 0.217 -7.334) 14.277 2.125 ( -5.705 0.046 9.190) 10.817 2.398 ( 3.876 -3.793 -1.782) 5.709 2.870 ( 0.101 0.164 14.952) 14.954 3.193 ( -7.486 -1.715 0.579) 7.702 3.335 ( 5.232 -1.501 3.916) 6.705 3.447 ( 8.239 -2.239 0.589) 8.558 3.505 ( -3.725 0.967 5.034) 6.337 3.985 ( 0.172 -0.665 -13.259) 13.277 4.189 ( -0.791 -0.756 5.513) 5.620 4.323 ( -4.039 -0.077 -1.236) 4.225 4.441 ( -1.660 -3.356 3.871) 5.386 4.612 ( -0.746 0.090 -3.620) 3.697 5.023 ( 4.339 -3.784 16.412) 17.392 5.186 ( 3.393 -1.154 17.527) 17.890 5.805 ( 3.684 2.732 -9.725) 10.752 6.061 ( -0.605 0.350 -15.040) 15.056 7.442 ( -7.498 -6.776 4.949) 11.253 7.681 ( -4.145 -2.663 -6.119) 7.856 8.325 ( 11.075 0.968 3.103) 11.542 8.495 ( 9.822 0.946 -5.319) 11.209 9.235 ( 1.026 0.187 10.358) 10.410 9.595 ( 0.443 0.123 -7.077) 7.092 ======================= Grid point 385 (125/196) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -1.120 3.547 2.004) 4.225 0.841 ( -3.006 -1.336 4.114) 5.268 0.921 ( -2.396 -0.125 2.698) 3.610 1.067 ( -2.751 -1.530 0.392) 3.172 1.281 ( -9.138 0.904 2.881) 9.624 1.346 ( -5.685 0.021 0.353) 5.696 1.508 ( -3.054 -3.943 -5.856) 7.692 1.608 ( -13.538 -2.396 -4.870) 14.585 1.997 ( -5.338 5.418 17.181) 18.789 2.466 ( 1.532 -0.861 0.453) 1.815 2.851 ( 0.041 5.731 8.260) 10.053 3.082 ( -4.680 0.799 2.169) 5.219 3.293 ( -7.660 4.979 6.355) 11.128 3.506 ( 5.184 -3.054 6.125) 8.586 3.589 ( 2.863 4.297 -3.441) 6.205 4.006 ( 2.453 -1.108 -9.607) 9.977 4.197 ( 0.361 -3.253 2.419) 4.069 4.281 ( -0.171 -0.661 -3.648) 3.711 4.421 ( -2.147 -1.955 3.917) 4.876 4.578 ( -2.725 1.154 -2.794) 4.070 5.156 ( 6.076 -4.772 20.316) 21.735 5.268 ( 6.081 -0.688 15.807) 16.951 5.947 ( 12.231 0.512 -9.515) 15.505 6.055 ( 0.213 -0.180 -14.074) 14.076 7.286 ( -13.358 -8.706 4.836) 16.662 7.547 ( -12.330 -4.377 -7.712) 15.187 8.512 ( 9.053 3.083 2.948) 10.007 8.673 ( 8.790 1.676 -5.053) 10.277 9.258 ( 1.345 0.072 9.805) 9.898 9.602 ( 0.391 0.006 -6.879) 6.891 ======================= Grid point 386 (126/196) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -4.306 3.307 6.503) 8.472 0.769 ( -4.538 2.058 10.032) 11.201 0.928 ( 0.689 -0.461 -2.306) 2.450 1.030 ( -2.039 -3.428 0.559) 4.028 1.104 ( -6.960 -0.719 0.525) 7.017 1.174 ( -9.725 -0.336 -0.544) 9.746 1.445 ( -4.971 -3.988 -2.604) 6.884 1.500 ( -1.062 -4.730 -8.255) 9.573 1.876 ( -2.614 8.598 24.649) 26.237 2.477 ( 0.073 0.695 3.295) 3.368 2.822 ( 1.213 8.725 4.273) 9.791 2.959 ( -6.488 6.392 5.667) 10.727 3.140 ( -3.613 4.769 -1.511) 6.171 3.524 ( -3.224 9.480 -13.614) 16.900 3.623 ( 3.919 -4.071 12.526) 13.741 4.099 ( 5.148 -1.886 -0.471) 5.503 4.232 ( 1.374 -2.183 -1.583) 3.027 4.306 ( 1.655 -0.960 -3.742) 4.203 4.375 ( -3.195 -0.180 2.296) 3.939 4.494 ( -4.695 1.427 -3.484) 6.018 5.241 ( 1.292 -2.278 19.224) 19.401 5.523 ( 16.413 -8.076 17.255) 25.146 6.083 ( 3.055 -2.310 -9.794) 10.516 6.272 ( 20.445 -1.435 -7.895) 21.964 7.024 ( -18.289 -7.853 2.961) 20.123 7.236 ( -22.548 -4.500 -7.643) 24.230 8.629 ( 4.996 4.233 3.222) 7.298 8.797 ( 4.922 2.639 -5.141) 7.590 9.284 ( 1.264 0.197 8.761) 8.853 9.609 ( 0.272 -0.104 -6.677) 6.683 ======================= Grid point 387 (127/196) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.000 5.074 8.991) 10.324 0.704 ( -0.000 -0.077 14.467) 14.467 0.918 ( 0.000 0.427 -4.422) 4.442 1.025 ( 0.000 0.033 0.568) 0.569 1.045 ( 0.000 0.096 -0.395) 0.406 1.100 ( -0.000 -7.239 -0.174) 7.242 1.418 ( -0.000 -2.859 0.264) 2.871 1.516 ( -0.000 -3.477 -9.014) 9.661 1.806 ( 0.000 7.247 26.651) 27.618 2.475 ( 0.000 0.007 3.597) 3.597 2.806 ( 0.000 6.715 6.566) 9.391 2.807 ( 0.000 11.673 4.889) 12.655 3.089 ( 0.000 3.202 -6.656) 7.386 3.425 ( 0.000 9.879 -15.806) 18.639 3.687 ( -0.000 -3.723 13.972) 14.459 4.182 ( -0.000 -3.083 3.343) 4.548 4.261 ( -0.000 -0.610 -4.647) 4.686 4.302 ( 0.000 0.821 1.147) 1.411 4.352 ( 0.000 0.532 -1.199) 1.312 4.423 ( 0.000 0.558 -6.618) 6.641 5.262 ( -0.000 -1.485 17.269) 17.333 5.788 ( -0.000 -8.990 1.470) 9.110 6.234 ( -0.000 -14.988 6.525) 16.347 6.708 ( -0.000 -4.900 -11.307) 12.323 6.720 ( -0.000 -0.268 3.118) 3.130 6.845 ( -0.000 -0.170 -2.727) 2.732 8.654 ( 0.000 4.126 3.420) 5.359 8.828 ( 0.000 3.216 -5.327) 6.222 9.296 ( 0.000 0.565 8.257) 8.276 9.613 ( -0.000 -0.123 -6.561) 6.562 ======================= Grid point 392 (128/196) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 2.025 0.000 1.693) 2.639 0.926 ( 0.934 0.000 -1.975) 2.185 0.979 ( -1.607 -0.000 3.353) 3.718 1.107 ( 0.018 0.000 -2.229) 2.229 1.552 ( -2.375 -0.000 -1.279) 2.697 1.560 ( 1.364 0.000 -1.885) 2.327 1.769 ( 5.811 0.000 4.635) 7.434 2.000 ( -3.979 -0.000 -6.152) 7.326 2.273 ( -4.949 -0.000 7.885) 9.309 2.397 ( -4.167 -0.000 1.738) 4.515 2.926 ( -3.599 -0.000 -2.641) 4.464 3.025 ( -3.407 -0.000 -1.600) 3.764 3.245 ( -4.708 -0.000 11.875) 12.774 3.641 ( 3.845 0.000 5.415) 6.642 3.734 ( -2.169 -0.000 2.749) 3.501 3.994 ( 0.433 0.000 -16.302) 16.308 4.259 ( 3.047 0.000 3.249) 4.454 4.329 ( -5.079 -0.000 -1.666) 5.345 4.705 ( 2.361 0.000 3.530) 4.247 4.738 ( -1.628 -0.000 0.765) 1.799 4.981 ( -1.381 -0.000 20.179) 20.226 4.997 ( -4.428 -0.000 23.866) 24.273 5.911 ( 6.581 0.000 -10.310) 12.231 6.034 ( -1.748 -0.000 -13.970) 14.079 7.554 ( -2.802 -0.000 -1.598) 3.225 7.566 ( -0.353 -0.000 -2.022) 2.052 7.914 ( -4.015 -0.000 4.310) 5.890 8.129 ( -1.630 -0.000 -6.245) 6.454 9.195 ( 0.077 0.000 10.659) 10.659 9.571 ( 0.024 0.000 -7.594) 7.594 ======================= Grid point 393 (129/196) ======================= q-point: (-0.69 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 1.490 0.580 3.027) 3.423 0.914 ( -1.601 -0.429 0.743) 1.816 0.976 ( 1.182 -0.029 4.849) 4.991 1.122 ( 1.676 0.041 -2.391) 2.920 1.488 ( -3.921 -0.501 -0.580) 3.995 1.581 ( 0.905 0.123 -3.890) 3.995 1.880 ( -1.095 2.872 -0.679) 3.148 1.905 ( 1.049 -1.552 -2.000) 2.740 2.172 ( -5.152 -1.879 7.912) 9.626 2.319 ( -3.627 -0.460 2.224) 4.279 2.922 ( 3.214 1.016 -5.144) 6.150 2.973 ( -1.629 0.039 -3.536) 3.894 3.116 ( -8.027 -1.798 14.049) 16.280 3.657 ( -2.234 1.229 -0.395) 2.580 3.693 ( -3.113 -1.047 5.596) 6.489 3.989 ( -0.674 -0.137 -13.937) 13.954 4.246 ( -2.550 0.151 1.849) 3.154 4.312 ( 2.418 -0.541 -1.591) 2.944 4.664 ( -5.674 0.037 4.794) 7.428 4.721 ( -1.019 -0.201 0.838) 1.335 4.923 ( -3.012 -0.175 22.363) 22.566 4.980 ( 1.332 -0.207 22.694) 22.734 5.985 ( -2.831 0.759 -11.983) 12.336 6.022 ( 4.201 -0.364 -11.981) 12.702 7.520 ( -1.012 -0.294 -0.256) 1.084 7.590 ( 2.463 0.022 -3.140) 3.991 7.875 ( 0.415 -0.060 5.247) 5.264 8.128 ( 1.614 0.028 -7.015) 7.198 9.200 ( 0.428 0.023 10.645) 10.653 9.574 ( 0.268 0.015 -7.517) 7.522 ======================= Grid point 394 (130/196) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -1.546 0.686 3.603) 3.980 0.914 ( -0.447 -0.298 2.739) 2.791 1.007 ( 1.437 -0.726 5.078) 5.327 1.168 ( 2.720 0.539 -2.294) 3.599 1.421 ( -3.238 -1.554 0.932) 3.711 1.584 ( -0.658 1.462 -4.339) 4.626 1.750 ( -5.563 2.360 3.594) 7.031 2.013 ( 4.909 -0.811 -8.554) 9.896 2.123 ( -1.614 -4.043 8.194) 9.279 2.265 ( -2.817 -2.129 2.654) 4.417 2.907 ( -6.094 -1.324 11.294) 12.902 3.015 ( 5.563 0.811 -0.540) 5.648 3.069 ( 4.006 -3.678 -2.266) 5.892 3.539 ( -9.747 -1.873 -8.515) 13.077 3.625 ( -3.003 1.051 7.822) 8.444 3.982 ( -0.384 -0.746 -10.035) 10.070 4.229 ( 0.359 0.014 5.128) 5.141 4.363 ( 2.251 -0.602 -2.305) 3.277 4.537 ( -7.068 -0.748 7.512) 10.342 4.677 ( -3.306 -0.583 -1.261) 3.586 4.889 ( -0.834 -1.330 19.460) 19.524 5.027 ( 3.008 -0.548 20.962) 21.184 5.916 ( -3.361 1.648 -10.609) 11.250 6.077 ( 1.404 0.177 -13.461) 13.535 7.506 ( -1.156 -0.984 1.991) 2.504 7.646 ( 2.833 -0.218 -4.070) 4.964 7.939 ( 6.000 -0.586 5.284) 8.016 8.194 ( 5.228 0.071 -7.090) 8.810 9.210 ( 0.614 0.118 10.618) 10.637 9.581 ( 0.404 0.076 -7.377) 7.388 ======================= Grid point 395 (131/196) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.469 -0.337 3.607) 3.653 0.892 ( -1.355 0.748 2.638) 3.059 1.023 ( -0.720 -1.515 4.324) 4.638 1.188 ( -0.724 1.306 -4.280) 4.533 1.389 ( -1.070 -1.822 2.629) 3.373 1.529 ( -3.169 3.061 -0.631) 4.451 1.657 ( -3.968 0.440 4.721) 6.183 2.052 ( -3.555 1.489 -9.324) 10.090 2.146 ( 1.395 -3.603 6.939) 7.942 2.243 ( -0.088 -5.335 0.887) 5.409 2.836 ( -1.281 -2.338 14.864) 15.101 3.141 ( 7.312 -2.413 2.256) 8.024 3.226 ( 8.736 -1.866 -3.256) 9.508 3.350 ( -9.952 -2.445 -6.112) 11.933 3.569 ( -2.526 0.069 5.912) 6.429 3.976 ( -0.653 -0.812 -10.090) 10.144 4.230 ( -0.700 1.187 8.401) 8.513 4.383 ( -1.329 -0.515 -0.831) 1.650 4.429 ( -4.063 -2.382 5.865) 7.522 4.624 ( -1.866 -0.612 -3.743) 4.227 4.908 ( 1.660 -2.544 17.336) 17.600 5.096 ( 3.548 -1.036 18.545) 18.910 5.848 ( -1.837 2.737 -10.077) 10.603 6.082 ( -0.524 0.348 -14.515) 14.529 7.471 ( -3.990 -2.712 4.380) 6.516 7.684 ( 0.342 -0.981 -5.192) 5.295 8.107 ( 10.649 -0.525 4.357) 11.518 8.326 ( 8.344 0.290 -6.336) 10.481 9.222 ( 0.750 0.185 10.548) 10.576 9.589 ( 0.436 0.123 -7.222) 7.236 ======================= Grid point 396 (132/196) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -0.572 -0.915 3.070) 3.254 0.866 ( -0.071 1.608 1.988) 2.558 0.993 ( -3.133 -1.027 3.460) 4.780 1.133 ( -3.526 1.413 -4.349) 5.774 1.380 ( -1.548 -1.420 0.954) 2.307 1.444 ( -4.306 1.895 2.359) 5.263 1.560 ( -6.422 -1.128 2.358) 6.934 1.875 ( -13.146 0.441 -6.815) 14.814 2.124 ( -3.258 -0.091 8.892) 9.471 2.355 ( 6.140 -3.680 0.197) 7.161 2.872 ( 3.165 0.181 13.173) 13.549 3.178 ( -6.341 -0.949 -0.513) 6.432 3.318 ( 6.751 -1.552 2.776) 7.463 3.410 ( 6.794 -3.754 0.178) 7.764 3.522 ( -0.646 1.789 5.458) 5.780 3.974 ( 0.013 -1.134 -10.405) 10.467 4.191 ( -1.775 1.026 5.970) 6.312 4.320 ( -4.155 -0.296 -0.395) 4.184 4.406 ( -0.782 -2.636 4.671) 5.421 4.613 ( -0.126 0.118 -4.354) 4.357 4.981 ( 4.046 -3.486 17.196) 18.007 5.173 ( 3.835 -0.969 17.316) 17.762 5.836 ( 2.838 2.639 -10.471) 11.166 6.064 ( -0.937 0.079 -14.816) 14.846 7.372 ( -8.722 -5.376 6.049) 11.898 7.654 ( -4.858 -2.134 -6.800) 8.625 8.335 ( 12.251 0.771 3.192) 12.683 8.504 ( 9.985 0.625 -5.228) 11.288 9.237 ( 0.924 0.126 10.342) 10.384 9.596 ( 0.388 0.101 -7.070) 7.082 ======================= Grid point 397 (133/196) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -1.096 -0.033 4.312) 4.449 0.866 ( -0.088 2.798 0.379) 2.825 0.925 ( -2.740 0.698 2.081) 3.510 1.055 ( -3.955 -0.397 -1.805) 4.366 1.293 ( -9.749 1.190 2.952) 10.255 1.340 ( -4.987 -0.962 0.389) 5.094 1.458 ( -4.653 -4.612 -5.175) 8.349 1.582 ( -15.679 -1.936 -4.818) 16.517 2.055 ( -2.400 4.636 16.101) 16.926 2.463 ( 3.590 0.154 2.689) 4.488 2.914 ( 2.433 5.200 7.459) 9.412 3.094 ( -2.333 1.140 2.604) 3.677 3.345 ( -5.598 4.184 6.884) 9.810 3.468 ( 4.217 -3.333 5.940) 8.011 3.631 ( 6.724 2.866 -2.772) 7.817 3.991 ( 1.505 -1.497 -8.733) 8.987 4.171 ( 0.106 -0.949 4.030) 4.141 4.273 ( -0.581 -0.921 -2.934) 3.129 4.403 ( -1.020 -1.271 4.619) 4.898 4.590 ( -2.334 0.963 -3.506) 4.320 5.101 ( 5.668 -4.665 21.248) 22.480 5.259 ( 5.124 -0.748 16.339) 17.140 5.954 ( 10.863 0.865 -10.917) 15.425 6.052 ( -0.216 -0.435 -14.234) 14.242 7.192 ( -13.635 -7.543 6.146) 16.750 7.504 ( -12.644 -3.271 -8.303) 15.476 8.547 ( 10.140 2.893 2.617) 10.865 8.689 ( 9.070 1.055 -4.529) 10.193 9.257 ( 1.193 -0.103 9.786) 9.859 9.602 ( 0.308 -0.006 -6.921) 6.928 ======================= Grid point 398 (134/196) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -3.097 4.018 5.581) 7.542 0.810 ( -3.458 4.397 4.195) 6.993 0.919 ( 0.753 -0.988 -0.965) 1.573 0.992 ( -2.875 -2.896 -0.144) 4.083 1.098 ( -7.421 -0.394 1.220) 7.531 1.174 ( -11.091 0.279 -1.211) 11.160 1.391 ( -5.138 -5.342 -3.562) 8.223 1.434 ( -2.056 -6.468 -7.659) 10.234 1.979 ( -1.324 9.047 22.875) 24.635 2.499 ( 1.437 2.854 4.768) 5.740 2.917 ( 1.949 8.025 4.546) 9.427 3.035 ( -2.476 6.614 4.547) 8.399 3.198 ( -4.768 5.449 1.228) 7.344 3.567 ( 2.393 -4.951 13.881) 14.930 3.641 ( -0.133 9.925 -13.573) 16.816 4.066 ( 3.597 -3.622 0.187) 5.108 4.214 ( 3.422 -0.873 1.953) 4.035 4.296 ( 1.975 -0.792 -4.256) 4.758 4.376 ( -1.999 0.293 2.376) 3.118 4.509 ( -5.055 1.153 -3.831) 6.447 5.209 ( 2.248 -3.332 23.623) 23.962 5.434 ( 11.066 -7.172 19.114) 23.222 6.059 ( 0.975 -1.837 -12.115) 12.293 6.257 ( 19.431 -1.200 -10.255) 22.004 6.940 ( -15.796 -6.565 3.936) 17.553 7.192 ( -21.146 -3.130 -8.028) 22.834 8.680 ( 5.553 4.513 2.738) 7.661 8.823 ( 5.175 1.822 -4.348) 7.000 9.283 ( 1.201 -0.307 8.650) 8.739 9.608 ( 0.207 -0.141 -6.763) 6.768 ======================= Grid point 399 (135/196) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 5.376 6.485) 8.423 0.721 ( 0.000 3.253 9.437) 9.982 0.922 ( 0.000 0.207 -3.770) 3.776 1.016 ( -0.000 -7.103 0.189) 7.105 1.026 ( 0.000 0.116 0.541) 0.553 1.046 ( 0.000 0.110 -0.440) 0.453 1.374 ( -0.000 -4.845 -2.031) 5.253 1.455 ( -0.000 -6.714 -9.188) 11.380 1.909 ( 0.000 10.168 26.051) 27.965 2.495 ( 0.000 3.188 4.533) 5.542 2.893 ( 0.000 8.150 5.700) 9.946 2.940 ( 0.000 11.635 6.664) 13.408 3.130 ( 0.000 3.796 -5.403) 6.603 3.546 ( 0.000 10.098 -9.487) 13.855 3.641 ( -0.000 -3.401 9.280) 9.884 4.131 ( -0.000 -5.280 3.437) 6.300 4.268 ( 0.000 1.486 -0.415) 1.542 4.312 ( 0.000 0.925 1.047) 1.397 4.359 ( 0.000 0.661 -1.144) 1.321 4.427 ( 0.000 0.074 -7.434) 7.434 5.242 ( -0.000 -2.099 21.107) 21.211 5.652 ( -0.000 -13.746 17.834) 22.517 6.110 ( -0.000 -6.965 -4.907) 8.520 6.648 ( -0.000 -5.374 -14.759) 15.707 6.717 ( -0.000 -0.308 3.115) 3.130 6.842 ( -0.000 -0.256 -2.767) 2.779 8.706 ( 0.000 4.962 3.034) 5.816 8.861 ( 0.000 2.470 -4.557) 5.183 9.298 ( -0.000 -0.124 7.867) 7.868 9.611 ( -0.000 -0.187 -6.649) 6.652 ======================= Grid point 406 (136/196) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -2.078 -0.000 3.503) 4.073 0.912 ( 0.084 0.000 3.233) 3.234 1.003 ( 1.181 0.000 5.486) 5.612 1.171 ( 2.850 0.000 -2.140) 3.564 1.412 ( -3.280 -0.000 0.868) 3.392 1.593 ( -0.118 -0.000 -4.971) 4.972 1.766 ( -6.245 -0.000 3.192) 7.013 2.006 ( 5.062 0.000 -7.307) 8.889 2.099 ( -1.339 -0.000 7.784) 7.898 2.253 ( -3.213 -0.000 2.534) 4.092 2.899 ( -6.690 -0.000 12.001) 13.740 3.029 ( 1.711 0.000 2.134) 2.735 3.038 ( 7.898 0.000 -5.900) 9.859 3.528 ( -9.875 -0.000 -8.897) 13.292 3.631 ( -3.273 -0.000 7.742) 8.406 3.978 ( -0.418 -0.000 -9.484) 9.493 4.229 ( 0.508 0.000 4.704) 4.732 4.359 ( 2.302 0.000 -2.297) 3.252 4.533 ( -7.292 -0.000 7.733) 10.629 4.673 ( -3.337 -0.000 -1.229) 3.556 4.881 ( -1.025 -0.000 19.647) 19.674 5.024 ( 2.930 0.000 20.863) 21.068 5.925 ( -3.200 -0.000 -10.755) 11.221 6.078 ( 1.484 0.000 -13.257) 13.340 7.501 ( -1.359 -0.000 2.107) 2.507 7.644 ( 2.703 0.000 -4.132) 4.938 7.936 ( 5.964 0.000 5.368) 8.024 8.195 ( 5.252 0.000 -7.169) 8.887 9.211 ( 0.627 0.000 10.617) 10.635 9.581 ( 0.413 0.000 -7.368) 7.379 ======================= Grid point 408 (137/196) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -1.015 -0.400 4.108) 4.250 0.902 ( -0.777 0.589 2.683) 2.855 1.010 ( -0.756 -0.653 4.925) 5.025 1.197 ( -0.734 0.350 -4.160) 4.239 1.375 ( -0.735 -0.646 2.762) 2.930 1.558 ( -3.265 1.509 -3.986) 5.369 1.661 ( -4.698 0.178 7.183) 8.584 2.062 ( -4.549 0.079 -4.845) 6.646 2.123 ( 6.534 -0.243 1.629) 6.739 2.193 ( -2.730 -2.864 2.890) 4.900 2.818 ( -0.720 -0.813 13.945) 13.987 3.123 ( 7.183 -0.844 2.404) 7.622 3.210 ( 8.982 -0.779 -4.011) 9.867 3.329 ( -9.947 -1.003 -7.531) 12.516 3.572 ( -2.499 0.255 6.645) 7.104 3.968 ( -0.639 -0.394 -8.985) 9.016 4.239 ( -0.231 0.437 7.848) 7.864 4.379 ( -1.105 -0.200 -0.493) 1.226 4.411 ( -4.534 -0.809 6.424) 7.904 4.619 ( -1.617 -0.214 -4.004) 4.323 4.888 ( 1.453 -0.939 17.915) 17.998 5.088 ( 3.535 -0.369 18.304) 18.646 5.871 ( -1.803 1.049 -10.338) 10.546 6.084 ( -0.619 0.093 -14.250) 14.264 7.449 ( -4.621 -0.974 4.741) 6.692 7.676 ( 0.037 -0.381 -5.404) 5.418 8.103 ( 10.969 -0.176 4.524) 11.867 8.328 ( 8.426 0.097 -6.451) 10.613 9.224 ( 0.736 0.066 10.543) 10.569 9.590 ( 0.430 0.045 -7.205) 7.218 ======================= Grid point 409 (138/196) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.049 -0.615 3.388) 3.444 0.884 ( -0.138 1.350 1.875) 2.315 0.982 ( -2.395 -0.804 3.483) 4.302 1.146 ( -3.614 0.853 -5.455) 6.599 1.366 ( -1.424 -0.957 1.213) 2.101 1.464 ( -5.240 1.304 -1.741) 5.674 1.550 ( -7.563 -0.504 6.249) 9.824 1.879 ( -13.746 0.245 -6.058) 15.023 2.124 ( -1.922 0.109 8.403) 8.621 2.318 ( 8.601 -2.480 1.515) 9.079 2.873 ( 5.172 0.109 12.096) 13.156 3.171 ( -5.824 -0.233 -1.341) 5.981 3.302 ( 8.683 -1.132 1.909) 8.962 3.372 ( 6.167 -2.566 0.700) 6.716 3.540 ( 0.319 1.194 5.142) 5.289 3.962 ( -0.193 -0.810 -8.235) 8.277 4.205 ( -1.835 1.141 5.782) 6.172 4.316 ( -4.536 -0.366 0.400) 4.569 4.383 ( 0.026 -1.385 5.128) 5.312 4.614 ( 0.326 0.133 -5.105) 5.118 4.948 ( 3.793 -2.139 18.108) 18.624 5.165 ( 4.113 -0.552 17.190) 17.683 5.862 ( 2.271 1.690 -11.060) 11.416 6.064 ( -1.230 -0.089 -14.677) 14.729 7.324 ( -9.525 -2.963 6.809) 12.078 7.634 ( -5.209 -1.176 -7.245) 9.001 8.342 ( 13.062 0.423 3.219) 13.460 8.509 ( 10.045 0.301 -5.146) 11.291 9.238 ( 0.832 0.061 10.339) 10.373 9.597 ( 0.348 0.057 -7.067) 7.076 ======================= Grid point 410 (139/196) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.195 0.926 3.432) 3.560 0.888 ( 0.948 1.207 0.201) 1.548 0.932 ( -2.616 0.459 1.963) 3.303 1.061 ( -4.418 1.261 -4.325) 6.310 1.307 ( -9.630 1.142 1.681) 9.842 1.328 ( -5.170 -0.984 1.142) 5.386 1.406 ( -6.543 -4.451 -3.934) 8.837 1.565 ( -17.497 -1.163 -4.585) 18.125 2.100 ( -0.032 3.043 15.204) 15.505 2.468 ( 5.773 0.600 3.948) 7.020 2.968 ( 4.747 4.102 7.604) 9.858 3.104 ( -1.002 0.354 3.360) 3.524 3.385 ( -3.249 2.776 7.070) 8.261 3.434 ( 3.033 -2.420 4.617) 6.031 3.653 ( 9.816 1.124 -1.741) 10.032 3.973 ( 0.724 -1.562 -6.068) 6.307 4.176 ( -0.305 1.713 2.795) 3.293 4.258 ( -0.915 -1.638 -1.753) 2.567 4.392 ( -0.050 -0.595 5.146) 5.181 4.600 ( -2.080 0.717 -4.300) 4.831 5.054 ( 5.279 -3.479 22.143) 23.028 5.251 ( 4.576 -0.615 16.904) 17.523 5.965 ( 9.768 0.998 -12.145) 15.618 6.046 ( -0.594 -0.610 -14.429) 14.454 7.120 ( -13.580 -4.986 7.153) 16.138 7.473 ( -12.672 -2.012 -8.888) 15.609 8.576 ( 11.147 2.113 2.234) 11.563 8.697 ( 9.129 0.467 -3.982) 9.971 9.256 ( 0.982 -0.153 9.829) 9.879 9.602 ( 0.231 -0.011 -6.964) 6.968 ======================= Grid point 411 (140/196) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -0.629 4.506 3.367) 5.660 0.860 ( -2.486 4.007 0.197) 4.719 0.908 ( -0.703 -0.598 0.697) 1.157 0.969 ( -4.030 -1.111 -1.089) 4.320 1.094 ( -7.775 -0.333 1.714) 7.969 1.179 ( -11.685 0.704 -1.822) 11.847 1.328 ( -4.897 -5.661 -4.284) 8.624 1.359 ( -3.578 -6.470 -6.156) 9.621 2.073 ( 0.118 7.184 20.832) 22.036 2.536 ( 2.670 3.326 5.779) 7.182 3.003 ( 2.467 6.874 4.913) 8.803 3.101 ( 1.124 4.685 3.581) 6.003 3.262 ( -5.370 5.604 4.242) 8.845 3.505 ( 1.684 -5.630 13.058) 14.319 3.750 ( 2.261 8.783 -11.712) 14.814 4.023 ( 2.329 -3.810 1.634) 4.755 4.210 ( 4.841 0.079 2.591) 5.491 4.287 ( 2.251 -0.886 -3.911) 4.598 4.380 ( -1.183 0.519 2.639) 2.938 4.520 ( -5.498 0.742 -4.019) 6.851 5.168 ( 3.426 -3.664 28.136) 28.580 5.366 ( 6.261 -4.670 18.274) 19.873 6.041 ( 0.045 -1.372 -13.451) 13.521 6.246 ( 18.420 -0.674 -12.535) 22.291 6.877 ( -13.265 -4.471 4.695) 14.765 7.164 ( -20.107 -1.960 -8.599) 21.956 8.729 ( 6.137 3.972 2.061) 7.596 8.838 ( 5.333 0.878 -3.403) 6.387 9.278 ( 0.993 -0.566 8.803) 8.877 9.606 ( 0.136 -0.141 -6.868) 6.871 ======================= Grid point 412 (141/196) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.000 4.745 4.284) 6.393 0.777 ( 0.000 6.267 3.745) 7.301 0.922 ( -0.000 -0.308 -2.916) 2.932 0.944 ( -0.000 -5.402 0.834) 5.466 1.028 ( 0.000 0.203 0.464) 0.506 1.047 ( 0.000 0.101 -0.496) 0.506 1.314 ( -0.000 -5.436 -3.148) 6.282 1.371 ( -0.000 -7.786 -8.331) 11.403 2.024 ( 0.000 9.554 23.740) 25.590 2.539 ( 0.000 4.286 5.604) 7.055 2.985 ( 0.000 7.730 4.708) 9.051 3.069 ( 0.000 10.893 8.621) 13.892 3.172 ( 0.000 3.509 -4.083) 5.384 3.556 ( -0.000 -5.724 16.162) 17.146 3.702 ( 0.000 11.136 -14.818) 18.536 4.071 ( -0.000 -4.936 5.485) 7.379 4.287 ( 0.000 1.672 0.480) 1.740 4.322 ( 0.000 0.788 0.996) 1.270 4.366 ( 0.000 0.648 -1.085) 1.263 4.424 ( -0.000 -0.633 -7.311) 7.339 5.215 ( -0.000 -2.522 26.598) 26.717 5.503 ( -0.000 -11.639 22.940) 25.724 6.057 ( -0.000 -3.010 -11.307) 11.701 6.592 ( -0.000 -4.270 -17.846) 18.349 6.714 ( -0.000 -0.273 3.089) 3.101 6.839 ( -0.000 -0.295 -2.795) 2.810 8.763 ( 0.000 4.843 2.378) 5.395 8.883 ( 0.000 1.505 -3.475) 3.787 9.293 ( -0.000 -0.692 7.974) 8.004 9.609 ( -0.000 -0.215 -6.775) 6.779 ======================= Grid point 421 (142/196) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.297 0.000 3.363) 3.376 0.893 ( -0.248 -0.000 1.747) 1.765 0.977 ( -2.185 -0.000 3.568) 4.184 1.151 ( -3.474 -0.000 -5.661) 6.642 1.360 ( -1.436 -0.000 1.258) 1.909 1.471 ( -5.789 -0.000 -4.352) 7.242 1.548 ( -7.925 -0.000 8.706) 11.773 1.880 ( -13.893 -0.000 -5.642) 14.995 2.125 ( -1.728 -0.000 8.081) 8.264 2.303 ( 9.842 0.000 2.015) 10.046 2.874 ( 5.863 0.000 11.736) 13.118 3.170 ( -5.849 -0.000 -1.724) 6.098 3.295 ( 9.974 0.000 1.611) 10.103 3.357 ( 5.641 0.000 1.045) 5.737 3.547 ( 0.528 0.000 4.957) 4.985 3.957 ( -0.273 -0.000 -7.488) 7.493 4.213 ( -1.688 -0.000 5.672) 5.917 4.314 ( -4.796 -0.000 0.768) 4.857 4.375 ( 0.366 0.000 5.238) 5.250 4.615 ( 0.497 0.000 -5.452) 5.474 4.935 ( 3.688 0.000 18.537) 18.900 5.161 ( 4.204 0.000 17.151) 17.659 5.872 ( 2.080 0.000 -11.288) 11.478 6.063 ( -1.354 -0.000 -14.630) 14.692 7.307 ( -9.801 -0.000 7.083) 12.092 7.628 ( -5.312 -0.000 -7.399) 9.108 8.344 ( 13.352 0.000 3.222) 13.736 8.511 ( 10.057 0.000 -5.114) 11.283 9.239 ( 0.795 0.000 10.339) 10.370 9.597 ( 0.333 0.000 -7.066) 7.074 ======================= Grid point 423 (143/196) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 1.054 0.607 2.722) 2.981 0.896 ( 0.717 0.233 0.425) 0.866 0.934 ( -2.077 0.019 1.855) 2.785 1.076 ( -3.931 0.984 -5.926) 7.178 1.312 ( -4.112 -0.256 -1.910) 4.541 1.330 ( -11.160 1.446 4.200) 12.011 1.362 ( -7.786 -3.105 -2.933) 8.880 1.556 ( -18.445 -0.377 -4.385) 18.963 2.123 ( 1.271 1.054 14.725) 14.817 2.473 ( 7.167 0.316 4.484) 8.460 3.003 ( 6.940 1.820 8.176) 10.877 3.103 ( -1.232 -0.271 3.838) 4.040 3.407 ( -1.035 1.058 6.528) 6.693 3.415 ( 1.754 -0.930 3.994) 4.461 3.660 ( 11.197 0.223 -1.132) 11.257 3.960 ( 0.305 -0.658 -4.153) 4.216 4.203 ( 0.207 2.517 0.599) 2.595 4.236 ( -1.754 -2.224 -0.006) 2.832 4.388 ( 0.494 -0.143 5.416) 5.440 4.606 ( -1.986 0.278 -4.886) 5.282 5.026 ( 5.096 -1.306 22.790) 23.389 5.246 ( 4.301 -0.242 17.248) 17.777 5.975 ( 9.320 0.508 -12.864) 15.894 6.040 ( -0.972 -0.349 -14.576) 14.612 7.081 ( -13.454 -1.734 7.711) 15.603 7.458 ( -12.633 -0.678 -9.224) 15.657 8.593 ( 11.812 0.793 1.964) 12.000 8.700 ( 9.054 0.103 -3.624) 9.752 9.255 ( 0.834 -0.069 9.870) 9.905 9.602 ( 0.186 -0.005 -6.992) 6.994 ======================= Grid point 424 (144/196) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.962 1.423 2.473) 3.011 0.891 ( -1.293 1.769 0.016) 2.191 0.915 ( -0.171 0.866 -0.537) 1.033 0.973 ( -6.511 2.080 -2.743) 7.365 1.090 ( -8.077 -0.219 2.126) 8.354 1.188 ( -12.501 0.479 -2.713) 12.801 1.268 ( -3.480 -4.138 -4.394) 6.967 1.294 ( -5.669 -4.663 -4.412) 8.564 2.138 ( 1.222 3.941 19.360) 19.795 2.568 ( 3.421 2.177 6.350) 7.534 3.070 ( 2.104 4.713 5.031) 7.208 3.138 ( 4.145 1.697 3.490) 5.678 3.324 ( -4.644 5.260 6.788) 9.762 3.442 ( -0.099 -5.408 11.720) 12.908 3.834 ( 5.382 5.677 -9.527) 12.327 3.984 ( 1.402 -2.896 1.340) 3.486 4.214 ( 4.526 0.541 2.525) 5.211 4.276 ( 2.789 -0.935 -3.180) 4.332 4.386 ( -0.686 0.438 2.882) 2.995 4.526 ( -5.957 0.311 -4.025) 7.196 5.132 ( 4.102 -2.399 30.842) 31.206 5.327 ( 3.445 -2.201 17.351) 17.826 6.028 ( -0.347 -0.768 -14.132) 14.157 6.241 ( 17.718 -0.238 -14.144) 22.672 6.839 ( -11.561 -2.255 5.260) 12.900 7.147 ( -19.449 -0.933 -8.998) 21.450 8.767 ( 6.683 2.572 1.361) 7.289 8.843 ( 5.343 0.073 -2.574) 5.931 9.272 ( 0.767 -0.430 9.019) 9.062 9.605 ( 0.080 -0.089 -6.957) 6.958 ======================= Grid point 425 (145/196) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 0.000 3.664 2.520) 4.447 0.855 ( 0.000 6.670 -1.107) 6.761 0.896 ( -0.000 -2.587 1.696) 3.094 0.915 ( -0.000 -0.913 -1.935) 2.139 1.030 ( 0.000 0.207 0.367) 0.422 1.048 ( 0.000 0.068 -0.556) 0.560 1.257 ( -0.000 -4.213 -3.776) 5.658 1.283 ( -0.000 -7.486 -7.126) 10.335 2.118 ( 0.000 6.665 21.592) 22.597 2.585 ( 0.000 3.439 6.608) 7.450 3.062 ( 0.000 5.518 3.825) 6.714 3.187 ( 0.000 9.831 10.483) 14.371 3.207 ( 0.000 2.448 -2.997) 3.870 3.480 ( -0.000 -7.229 15.837) 17.409 3.824 ( 0.000 9.644 -12.741) 15.979 4.021 ( -0.000 -3.934 5.645) 6.880 4.303 ( 0.000 1.028 0.208) 1.049 4.329 ( 0.000 0.499 1.007) 1.124 4.373 ( 0.000 0.477 -1.035) 1.140 4.414 ( -0.000 -1.052 -5.793) 5.888 5.187 ( -0.000 -2.318 32.825) 32.907 5.397 ( -0.000 -6.845 20.338) 21.459 6.032 ( -0.000 -1.508 -13.458) 13.542 6.553 ( -0.000 -2.534 -19.999) 20.159 6.711 ( -0.000 -0.182 3.047) 3.053 6.836 ( -0.000 -0.243 -2.805) 2.816 8.813 ( 0.000 3.866 1.552) 4.166 8.895 ( 0.000 0.465 -2.444) 2.488 9.284 ( -0.000 -0.780 8.317) 8.354 9.607 ( -0.000 -0.175 -6.906) 6.908 ======================= Grid point 436 (146/196) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.292 0.000 2.656) 2.672 0.909 ( 0.001 0.000 -0.755) 0.755 0.911 ( -0.407 -0.000 0.090) 0.417 0.994 ( -6.258 -0.000 -4.560) 7.743 1.089 ( -8.266 -0.000 2.349) 8.593 1.187 ( -12.625 -0.000 -3.674) 13.149 1.249 ( -2.787 -0.000 -2.986) 4.085 1.261 ( -7.027 -0.000 -4.193) 8.182 2.160 ( 1.634 0.000 18.826) 18.897 2.581 ( 3.658 0.000 6.528) 7.483 3.100 ( 0.748 0.000 4.834) 4.892 3.145 ( 6.428 0.000 3.901) 7.520 3.379 ( -3.129 -0.000 4.784) 5.717 3.386 ( -2.000 -0.000 13.971) 14.113 3.870 ( 7.617 0.000 -7.927) 10.994 3.964 ( 0.306 0.000 0.237) 0.388 4.219 ( 3.811 0.000 2.526) 4.572 4.269 ( 3.287 0.000 -2.839) 4.343 4.389 ( -0.514 -0.000 2.968) 3.013 4.528 ( -6.168 -0.000 -3.984) 7.343 5.118 ( 4.276 0.000 31.619) 31.907 5.315 ( 2.591 0.000 17.092) 17.287 6.024 ( -0.461 -0.000 -14.348) 14.356 6.240 ( 17.475 0.000 -14.718) 22.847 6.826 ( -10.972 -0.000 5.482) 12.265 7.142 ( -19.224 -0.000 -9.135) 21.284 8.783 ( 6.991 0.000 1.019) 7.065 8.843 ( 5.245 0.000 -2.202) 5.688 9.269 ( 0.668 0.000 9.116) 9.141 9.604 ( 0.059 0.000 -6.992) 6.992 ======================= Grid point 438 (147/196) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.000 1.852 1.267) 2.244 0.868 ( -0.000 -0.912 1.935) 2.139 0.903 ( -0.000 -0.930 -1.025) 1.384 0.930 ( 0.000 3.972 -3.952) 5.603 1.032 ( 0.000 0.088 0.308) 0.321 1.049 ( 0.000 0.023 -0.598) 0.599 1.211 ( -0.000 -3.947 -6.109) 7.273 1.224 ( -0.000 -1.659 -3.716) 4.069 2.171 ( 0.000 2.386 20.315) 20.455 2.613 ( 0.000 1.298 7.247) 7.362 3.105 ( 0.000 2.000 3.300) 3.859 3.226 ( 0.000 0.875 -2.388) 2.543 3.292 ( 0.000 8.397 11.562) 14.290 3.394 ( -0.000 -7.580 15.436) 17.197 3.913 ( 0.000 5.670 -9.165) 10.777 3.980 ( -0.000 -3.291 2.671) 4.239 4.310 ( 0.000 0.231 -0.375) 0.441 4.333 ( 0.000 0.166 1.038) 1.052 4.377 ( 0.000 0.176 -1.006) 1.022 4.404 ( -0.000 -0.528 -3.728) 3.765 5.167 ( -0.000 -0.979 36.911) 36.924 5.346 ( -0.000 -2.161 17.203) 17.338 6.021 ( -0.000 -0.493 -14.134) 14.143 6.534 ( -0.000 -0.813 -21.043) 21.059 6.709 ( -0.000 -0.063 3.016) 3.016 6.834 ( -0.000 -0.095 -2.806) 2.808 8.847 ( 0.000 1.770 0.828) 1.954 8.895 ( -0.000 -0.219 -1.686) 1.700 9.278 ( -0.000 -0.340 8.600) 8.607 9.605 ( -0.000 -0.068 -6.990) 6.991 ======================= Grid point 525 (148/196) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 0.000 -8.394) 8.394 0.784 ( 0.000 0.000 8.394) 8.394 1.036 ( 0.000 0.000 -0.491) 0.491 1.036 ( 0.000 0.000 0.491) 0.491 1.051 ( 0.000 0.000 -14.330) 14.330 1.051 ( 0.000 0.000 14.330) 14.330 1.455 ( 0.000 0.000 -0.794) 0.794 1.455 ( 0.000 0.000 0.794) 0.794 2.236 ( 0.000 0.000 -23.006) 23.006 2.236 ( 0.000 0.000 23.006) 23.006 2.884 ( 0.000 0.000 -8.835) 8.835 2.884 ( 0.000 0.000 8.835) 8.835 2.934 ( 0.000 0.000 -19.524) 19.524 2.934 ( 0.000 0.000 19.524) 19.524 4.019 ( 0.000 0.000 -14.928) 14.928 4.019 ( 0.000 0.000 14.928) 14.928 4.311 ( 0.000 0.000 -5.631) 5.631 4.311 ( 0.000 0.000 5.631) 5.631 4.319 ( 0.000 0.000 -1.454) 1.454 4.319 ( 0.000 0.000 1.454) 1.454 5.577 ( 0.000 0.000 -15.823) 15.823 5.577 ( 0.000 0.000 15.823) 15.823 6.636 ( 0.000 0.000 -6.408) 6.408 6.636 ( 0.000 0.000 6.408) 6.408 6.787 ( 0.000 0.000 -3.321) 3.321 6.787 ( 0.000 0.000 3.321) 3.321 8.682 ( 0.000 0.000 -4.542) 4.542 8.682 ( 0.000 0.000 4.542) 4.542 9.464 ( 0.000 0.000 -8.839) 8.839 9.464 ( 0.000 0.000 8.839) 8.839 ======================= Grid point 527 (149/196) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 1.947 -0.360 -6.804) 7.087 0.824 ( 1.947 -0.360 6.804) 7.087 1.056 ( 2.334 2.118 -8.036) 8.632 1.056 ( 2.334 2.118 8.036) 8.632 1.118 ( 7.490 -0.526 -3.272) 8.190 1.118 ( 7.490 -0.526 3.272) 8.190 1.476 ( 2.654 0.750 -1.210) 3.012 1.476 ( 2.654 0.750 1.210) 3.012 2.226 ( -0.629 -1.091 -21.669) 21.706 2.226 ( -0.629 -1.091 21.669) 21.706 2.909 ( 3.272 -1.058 -12.014) 12.496 2.909 ( 3.272 -1.058 12.014) 12.496 3.061 ( 10.110 -2.995 -13.456) 17.095 3.061 ( 10.110 -2.995 13.456) 17.095 3.950 ( -6.243 0.644 -13.655) 15.028 3.950 ( -6.243 0.644 13.655) 15.028 4.258 ( -1.354 0.121 -3.619) 3.866 4.258 ( -1.354 0.121 3.619) 3.866 4.421 ( 5.523 -0.166 -1.765) 5.800 4.421 ( 5.523 -0.166 1.765) 5.800 5.559 ( -2.080 -0.279 -13.346) 13.510 5.559 ( -2.080 -0.279 13.346) 13.510 6.176 ( -23.419 1.564 -6.566) 24.372 6.176 ( -23.419 1.564 6.566) 24.372 7.214 ( 21.846 2.102 -4.658) 22.436 7.214 ( 21.846 2.102 4.658) 22.436 8.643 ( -4.301 -1.133 -4.670) 6.449 8.643 ( -4.301 -1.133 4.670) 6.449 9.458 ( -0.579 -0.015 -8.981) 8.999 9.458 ( -0.579 -0.015 8.981) 8.999 ======================= Grid point 529 (150/196) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -0.124 -0.317 -4.152) 4.166 0.837 ( -0.124 -0.317 4.152) 4.166 1.092 ( 2.440 2.488 -5.217) 6.273 1.092 ( 2.440 2.488 5.217) 6.273 1.296 ( 8.098 -1.241 -1.956) 8.422 1.296 ( 8.098 -1.241 1.956) 8.422 1.564 ( 7.235 1.504 -3.917) 8.363 1.564 ( 7.235 1.504 3.917) 8.363 2.244 ( 1.697 -1.697 -16.785) 16.956 2.244 ( 1.697 -1.697 16.785) 16.956 3.021 ( 7.568 -0.132 -11.204) 13.521 3.021 ( 7.568 -0.132 11.204) 13.521 3.300 ( 11.024 -3.840 -7.890) 14.090 3.300 ( 11.024 -3.840 7.890) 14.090 3.798 ( -8.317 1.194 -12.992) 15.472 3.798 ( -8.317 1.194 12.992) 15.472 4.250 ( 0.517 0.546 -2.001) 2.138 4.250 ( 0.517 0.546 2.001) 2.138 4.510 ( 3.466 0.124 -1.710) 3.867 4.510 ( 3.466 0.124 1.710) 3.867 5.487 ( -5.378 0.406 -1.806) 5.688 5.487 ( -5.378 0.406 1.806) 5.688 5.836 ( -10.402 0.591 -2.640) 10.748 5.836 ( -10.402 0.591 2.640) 10.748 7.525 ( 12.055 3.530 -5.321) 13.642 7.525 ( 12.055 3.530 5.321) 13.642 8.532 ( -7.702 -1.481 -4.700) 9.143 8.532 ( -7.702 -1.481 4.700) 9.143 9.444 ( -0.820 -0.043 -9.302) 9.338 9.444 ( -0.820 -0.043 9.302) 9.338 ======================= Grid point 531 (151/196) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.045 -0.863 -1.898) 2.085 0.839 ( 0.045 -0.863 1.898) 2.085 1.112 ( 0.651 1.344 -1.663) 2.235 1.112 ( 0.651 1.344 1.663) 2.235 1.418 ( 4.549 -0.290 -1.176) 4.708 1.418 ( 4.549 -0.290 1.176) 4.708 1.706 ( 6.713 0.510 -9.126) 11.341 1.706 ( 6.713 0.510 9.126) 11.341 2.305 ( 3.817 0.179 -9.369) 10.118 2.305 ( 3.817 0.179 9.369) 10.118 3.186 ( 9.588 2.415 -10.076) 14.117 3.186 ( 9.588 2.415 10.076) 14.117 3.443 ( -1.107 -0.184 -2.934) 3.141 3.443 ( -1.107 -0.184 2.934) 3.141 3.666 ( -1.963 -0.222 -14.557) 14.690 3.666 ( -1.963 -0.222 14.557) 14.690 4.273 ( 2.256 0.072 -2.212) 3.160 4.273 ( 2.256 0.072 2.212) 3.160 4.557 ( 2.072 0.954 -2.281) 3.226 4.557 ( 2.072 0.954 2.281) 3.226 5.381 ( -3.989 1.576 -8.864) 9.847 5.381 ( -3.989 1.576 8.864) 9.847 5.730 ( -2.314 -1.011 -13.634) 13.866 5.730 ( -2.314 -1.011 13.634) 13.866 7.654 ( 3.751 3.364 -3.931) 6.391 7.654 ( 3.751 3.364 3.931) 6.391 8.374 ( -8.986 -0.948 -4.432) 10.065 8.374 ( -8.986 -0.948 4.432) 10.065 9.428 ( -0.818 -0.116 -9.622) 9.658 9.428 ( -0.818 -0.116 9.622) 9.658 ======================= Grid point 533 (152/196) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.500 -1.809 -1.888) 2.662 0.851 ( 0.500 -1.809 1.888) 2.662 1.103 ( -0.980 0.254 -0.947) 1.386 1.103 ( -0.980 0.254 0.947) 1.386 1.490 ( 2.989 0.540 -1.100) 3.230 1.490 ( 2.989 0.540 1.100) 3.230 1.796 ( 2.930 -0.021 -11.538) 11.904 1.796 ( 2.930 -0.021 11.538) 11.904 2.370 ( 3.247 2.633 -4.032) 5.808 2.370 ( 3.247 2.633 4.032) 5.808 3.264 ( -8.348 3.595 -4.252) 10.035 3.264 ( -8.348 3.595 4.252) 10.035 3.366 ( 6.525 5.201 -11.297) 14.045 3.366 ( 6.525 5.201 11.297) 14.045 3.698 ( 1.823 -1.831 -10.902) 11.204 3.698 ( 1.823 -1.831 10.902) 11.204 4.324 ( 1.833 -0.624 -5.353) 5.692 4.324 ( 1.833 -0.624 5.353) 5.692 4.599 ( 3.514 1.702 -2.553) 4.665 4.599 ( 3.514 1.702 2.553) 4.665 5.322 ( -1.223 2.274 -10.195) 10.517 5.322 ( -1.223 2.274 10.195) 10.517 5.723 ( 0.421 -1.871 -15.025) 15.147 5.723 ( 0.421 -1.871 15.025) 15.147 7.653 ( -1.639 2.068 -2.954) 3.961 7.653 ( -1.639 2.068 2.954) 3.961 8.210 ( -7.872 0.079 -4.524) 9.080 8.210 ( -7.872 0.079 4.524) 9.080 9.415 ( -0.673 -0.205 -9.849) 9.874 9.415 ( -0.673 -0.205 9.849) 9.874 ======================= Grid point 535 (153/196) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.939 -2.017 -2.762) 3.546 0.877 ( 0.939 -2.017 2.762) 3.546 1.078 ( -1.479 -0.310 -2.714) 3.107 1.078 ( -1.479 -0.310 2.714) 3.107 1.528 ( 1.401 0.966 -0.967) 1.957 1.528 ( 1.401 0.966 0.967) 1.957 1.835 ( 1.499 0.355 -9.911) 10.030 1.835 ( 1.499 0.355 9.911) 10.030 2.390 ( 0.616 3.204 -2.382) 4.040 2.390 ( 0.616 3.204 2.382) 4.040 3.047 ( -9.677 3.231 -3.560) 10.805 3.047 ( -9.677 3.231 3.560) 10.805 3.471 ( 6.320 6.070 -15.349) 17.674 3.471 ( 6.320 6.070 15.349) 17.674 3.742 ( 1.604 -2.261 -10.529) 10.888 3.742 ( 1.604 -2.261 10.529) 10.888 4.327 ( -1.397 0.363 -4.121) 4.366 4.327 ( -1.397 0.363 4.121) 4.366 4.671 ( 4.240 1.347 -2.624) 5.165 4.671 ( 4.240 1.347 2.624) 5.165 5.297 ( -0.302 2.108 -7.631) 7.923 5.297 ( -0.302 2.108 7.631) 7.923 5.757 ( 1.614 -1.936 -10.911) 11.198 5.757 ( 1.614 -1.936 10.911) 11.198 7.593 ( -3.145 0.658 -2.190) 3.888 7.593 ( -3.145 0.658 2.190) 3.888 8.077 ( -5.411 0.761 -5.395) 7.679 8.077 ( -5.411 0.761 5.395) 7.679 9.405 ( -0.420 -0.217 -9.965) 9.976 9.405 ( -0.420 -0.217 9.965) 9.976 ======================= Grid point 537 (154/196) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.506 -0.856 -1.815) 2.069 0.901 ( 0.506 -0.856 1.815) 2.069 1.056 ( -0.756 -0.186 -3.638) 3.720 1.056 ( -0.756 -0.186 3.638) 3.720 1.538 ( 0.280 0.506 -0.986) 1.142 1.538 ( 0.280 0.506 0.986) 1.142 1.856 ( 0.756 0.255 -4.787) 4.853 1.856 ( 0.756 0.255 4.787) 4.853 2.374 ( -0.294 1.515 -2.032) 2.552 2.374 ( -0.294 1.515 2.032) 2.552 2.893 ( -4.121 1.239 -3.705) 5.678 2.893 ( -4.121 1.239 3.705) 5.678 3.538 ( 2.852 2.569 -15.379) 15.851 3.538 ( 2.852 2.569 15.379) 15.851 3.775 ( 0.557 -1.029 -5.376) 5.502 3.775 ( 0.557 -1.029 5.376) 5.502 4.291 ( -1.258 0.409 -2.465) 2.797 4.291 ( -1.258 0.409 2.465) 2.797 4.726 ( 1.682 0.541 -1.459) 2.291 4.726 ( 1.682 0.541 1.459) 2.291 5.285 ( -0.066 0.844 -3.109) 3.222 5.285 ( -0.066 0.844 3.109) 3.222 5.793 ( 0.903 -0.837 -3.990) 4.175 5.793 ( 0.903 -0.837 3.990) 4.175 7.544 ( -1.405 0.044 -0.932) 1.687 7.544 ( -1.405 0.044 0.932) 1.687 8.000 ( -2.006 0.441 -6.285) 6.612 8.000 ( -2.006 0.441 6.285) 6.612 9.401 ( -0.138 -0.095 -10.002) 10.003 9.401 ( -0.138 -0.095 10.002) 10.003 ======================= Grid point 553 (155/196) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.128 -0.000 -4.599) 4.601 0.835 ( -0.128 -0.000 4.599) 4.601 1.107 ( 1.859 0.000 -4.961) 5.298 1.107 ( 1.859 0.000 4.961) 5.298 1.288 ( 8.360 0.000 -0.689) 8.388 1.288 ( 8.360 0.000 0.689) 8.388 1.573 ( 7.016 0.000 -3.844) 8.000 1.573 ( 7.016 0.000 3.844) 8.000 2.234 ( 2.085 0.000 -17.346) 17.471 2.234 ( 2.085 0.000 17.346) 17.471 3.021 ( 8.225 0.000 -12.352) 14.840 3.021 ( 8.225 0.000 12.352) 14.840 3.277 ( 11.664 0.000 -8.062) 14.179 3.277 ( 11.664 0.000 8.062) 14.179 3.805 ( -8.349 -0.000 -12.868) 15.340 3.805 ( -8.349 -0.000 12.868) 15.340 4.253 ( 0.520 0.000 -2.250) 2.309 4.253 ( 0.520 0.000 2.250) 2.309 4.511 ( 3.624 0.000 -0.188) 3.629 4.511 ( 3.624 0.000 0.188) 3.629 5.490 ( -5.042 -0.000 -2.168) 5.489 5.490 ( -5.042 -0.000 2.168) 5.489 5.840 ( -11.038 -0.000 -2.423) 11.300 5.840 ( -11.038 -0.000 2.423) 11.300 7.546 ( 11.768 0.000 -5.313) 12.912 7.546 ( 11.768 0.000 5.313) 12.912 8.524 ( -7.474 -0.000 -4.708) 8.833 8.524 ( -7.474 -0.000 4.708) 8.833 9.444 ( -0.830 -0.000 -9.333) 9.369 9.444 ( -0.830 -0.000 9.333) 9.369 ======================= Grid point 555 (156/196) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -0.202 -0.282 -2.370) 2.395 0.832 ( -0.202 -0.282 2.370) 2.395 1.122 ( -0.060 0.477 -1.156) 1.252 1.122 ( -0.060 0.477 1.156) 1.252 1.416 ( 5.030 -0.123 -0.477) 5.054 1.416 ( 5.030 -0.123 0.477) 5.054 1.711 ( 6.212 0.233 -9.078) 11.003 1.711 ( 6.212 0.233 9.078) 11.003 2.306 ( 4.892 0.021 -9.803) 10.955 2.306 ( 4.892 0.021 9.803) 10.955 3.207 ( 10.657 1.079 -10.835) 15.236 3.207 ( 10.657 1.079 10.835) 15.236 3.438 ( 1.550 -0.449 -1.534) 2.226 3.438 ( 1.550 -0.449 1.534) 2.226 3.666 ( -3.522 0.049 -14.448) 14.871 3.666 ( -3.522 0.049 14.448) 14.871 4.275 ( 1.812 0.081 -1.531) 2.374 4.275 ( 1.812 0.081 1.531) 2.374 4.565 ( 2.375 0.344 -1.184) 2.676 4.565 ( 2.375 0.344 1.184) 2.676 5.394 ( -3.771 0.585 -8.616) 9.423 5.394 ( -3.771 0.585 8.616) 9.423 5.722 ( -2.687 -0.378 -13.969) 14.230 5.722 ( -2.687 -0.378 13.969) 14.230 7.681 ( 3.028 1.257 -3.185) 4.570 7.681 ( 3.028 1.257 3.185) 4.570 8.366 ( -8.528 -0.374 -4.365) 9.587 8.366 ( -8.528 -0.374 4.365) 9.587 9.427 ( -0.843 -0.044 -9.644) 9.681 9.427 ( -0.843 -0.044 9.644) 9.681 ======================= Grid point 557 (157/196) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.180 -1.065 -1.109) 1.548 0.834 ( 0.180 -1.065 1.109) 1.548 1.105 ( -1.337 0.164 -1.079) 1.726 1.105 ( -1.337 0.164 1.079) 1.726 1.494 ( 3.204 0.257 -0.994) 3.364 1.494 ( 3.204 0.257 0.994) 3.364 1.798 ( 3.106 0.157 -11.504) 11.917 1.798 ( 3.106 0.157 11.504) 11.917 2.393 ( 3.737 1.345 -4.449) 5.964 2.393 ( 3.737 1.345 4.449) 5.964 3.296 ( -8.739 1.982 -2.385) 9.272 3.296 ( -8.739 1.982 2.385) 9.272 3.417 ( 8.334 3.403 -11.600) 14.684 3.417 ( 8.334 3.403 11.600) 14.684 3.678 ( 1.248 -1.498 -8.411) 8.634 3.678 ( 1.248 -1.498 8.411) 8.634 4.318 ( 1.986 -0.364 -5.744) 6.088 4.318 ( 1.986 -0.364 5.744) 6.088 4.615 ( 3.476 0.964 -1.803) 4.033 4.615 ( 3.476 0.964 1.803) 4.033 5.343 ( -1.204 1.325 -10.311) 10.465 5.343 ( -1.204 1.325 10.311) 10.465 5.707 ( 0.338 -1.042 -16.111) 16.148 5.707 ( 0.338 -1.042 16.111) 16.148 7.672 ( -2.576 1.155 -1.590) 3.240 7.672 ( -2.576 1.155 1.590) 3.240 8.211 ( -7.374 0.042 -4.126) 8.450 8.211 ( -7.374 0.042 4.126) 8.450 9.413 ( -0.688 -0.116 -9.874) 9.899 9.413 ( -0.688 -0.116 9.874) 9.899 ======================= Grid point 559 (158/196) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 1.254 -1.611 -2.362) 3.122 0.856 ( 1.254 -1.611 2.362) 3.122 1.076 ( -1.523 -0.058 -2.576) 2.993 1.076 ( -1.523 -0.058 2.576) 2.993 1.536 ( 1.283 0.497 -0.952) 1.673 1.536 ( 1.283 0.497 0.952) 1.673 1.841 ( 1.799 0.590 -10.109) 10.285 1.841 ( 1.799 0.590 10.109) 10.285 2.419 ( -0.069 1.876 -2.728) 3.311 2.419 ( -0.069 1.876 2.728) 3.311 3.082 ( -10.212 2.597 -3.504) 11.104 3.082 ( -10.212 2.597 3.504) 11.104 3.536 ( 5.305 5.369 -16.215) 17.886 3.536 ( 5.305 5.369 16.215) 17.886 3.713 ( 1.681 -2.816 -9.800) 10.334 3.713 ( 1.681 -2.816 9.800) 10.334 4.329 ( -1.040 0.112 -4.630) 4.747 4.329 ( -1.040 0.112 4.630) 4.747 4.685 ( 3.877 1.003 -2.170) 4.554 4.685 ( 3.877 1.003 2.170) 4.554 5.318 ( -0.803 1.525 -7.824) 8.012 5.318 ( -0.803 1.525 7.824) 8.012 5.738 ( 2.000 -1.301 -12.046) 12.279 5.738 ( 2.000 -1.301 12.046) 12.279 7.599 ( -3.782 0.365 -1.363) 4.036 7.599 ( -3.782 0.365 1.363) 4.036 8.085 ( -5.302 0.599 -4.856) 7.214 8.085 ( -5.302 0.599 4.856) 7.214 9.403 ( -0.383 -0.155 -9.996) 10.005 9.403 ( -0.383 -0.155 9.996) 10.005 ======================= Grid point 561 (159/196) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 1.475 -0.742 -1.943) 2.550 0.892 ( 1.475 -0.742 1.943) 2.550 1.054 ( -0.610 -0.116 -3.533) 3.588 1.054 ( -0.610 -0.116 3.533) 3.588 1.541 ( -0.393 0.060 -0.505) 0.643 1.541 ( -0.393 0.060 0.505) 0.643 1.863 ( 0.830 0.888 -5.666) 5.795 1.863 ( 0.830 0.888 5.666) 5.795 2.385 ( -2.225 0.365 -2.472) 3.346 2.385 ( -2.225 0.365 2.472) 3.346 2.912 ( -5.098 1.866 -3.901) 6.685 2.912 ( -5.098 1.866 3.901) 6.685 3.562 ( -0.316 1.730 -15.675) 15.773 3.562 ( -0.316 1.730 15.675) 15.773 3.765 ( 2.041 -0.654 -3.794) 4.358 3.765 ( 2.041 -0.654 3.794) 4.358 4.294 ( -1.712 0.127 -2.220) 2.806 4.294 ( -1.712 0.127 2.220) 2.806 4.732 ( 1.139 0.512 -1.209) 1.738 4.732 ( 1.139 0.512 1.209) 1.738 5.294 ( -0.984 0.687 -3.049) 3.277 5.294 ( -0.984 0.687 3.049) 3.277 5.785 ( 1.796 -0.618 -4.621) 4.996 5.785 ( 1.796 -0.618 4.621) 4.996 7.543 ( -1.565 -0.112 -0.514) 1.651 7.543 ( -1.565 -0.112 0.514) 1.651 8.005 ( -2.389 0.481 -6.018) 6.493 8.005 ( -2.389 0.481 6.018) 6.493 9.400 ( -0.041 -0.081 -10.018) 10.018 9.400 ( -0.041 -0.081 10.018) 10.018 ======================= Grid point 563 (160/196) ======================= q-point: (-0.54 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.339 0.769 -1.482) 1.704 0.911 ( 0.339 0.769 1.482) 1.704 1.058 ( 1.052 0.218 -3.739) 3.890 1.058 ( 1.052 0.218 3.739) 3.890 1.529 ( -0.922 -0.938 -1.701) 2.150 1.529 ( -0.922 -0.938 1.701) 2.150 1.858 ( -0.778 0.700 -3.488) 3.642 1.858 ( -0.778 0.700 3.488) 3.642 2.350 ( -1.623 -2.613 -2.562) 4.003 2.350 ( -1.623 -2.613 2.562) 4.003 2.885 ( 2.923 -0.139 -3.230) 4.359 2.885 ( 2.923 -0.139 3.230) 4.359 3.506 ( -5.533 -2.789 -15.967) 17.128 3.506 ( -5.533 -2.789 15.967) 17.128 3.787 ( 0.276 1.098 -5.993) 6.099 3.787 ( 0.276 1.098 5.993) 6.099 4.285 ( 0.805 -0.644 -2.393) 2.605 4.285 ( 0.805 -0.644 2.393) 2.605 4.721 ( -2.257 -0.431 -1.524) 2.757 4.721 ( -2.257 -0.431 1.524) 2.757 5.275 ( -0.880 -0.808 -3.082) 3.305 5.275 ( -0.880 -0.808 3.082) 3.305 5.803 ( 0.059 0.878 -3.300) 3.415 5.803 ( 0.059 0.878 3.300) 3.415 7.542 ( 1.231 -0.227 -1.408) 1.884 7.542 ( 1.231 -0.227 1.408) 1.884 7.996 ( 1.587 -0.272 -6.516) 6.712 7.996 ( 1.587 -0.272 6.516) 6.712 9.402 ( 0.242 0.086 -9.987) 9.990 9.402 ( 0.242 0.086 9.987) 9.990 ======================= Grid point 565 (161/196) ======================= q-point: (-0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.661 1.718 -2.591) 3.178 0.899 ( -0.661 1.718 2.591) 3.178 1.083 ( 1.491 0.669 -3.154) 3.552 1.083 ( 1.491 0.669 3.154) 3.552 1.514 ( -1.449 -1.322 -2.058) 2.843 1.514 ( -1.449 -1.322 2.058) 2.843 1.835 ( -1.183 0.370 -9.298) 9.381 1.835 ( -1.183 0.370 9.298) 9.381 2.347 ( -1.277 -4.291 -2.471) 5.114 2.347 ( -1.277 -4.291 2.471) 5.114 3.012 ( 8.673 -2.840 -3.201) 9.671 3.012 ( 8.673 -2.840 3.201) 9.671 3.401 ( -7.317 -5.910 -15.231) 17.902 3.401 ( -7.317 -5.910 15.231) 17.902 3.764 ( -1.660 1.579 -10.327) 10.578 3.764 ( -1.660 1.579 10.327) 10.578 4.321 ( 1.811 -0.649 -3.677) 4.150 4.321 ( 1.811 -0.649 3.677) 4.150 4.656 ( -4.666 -1.329 -3.011) 5.710 4.656 ( -4.666 -1.329 3.011) 5.710 5.272 ( -0.248 -2.166 -7.512) 7.822 5.272 ( -0.248 -2.166 7.512) 7.822 5.781 ( -1.154 2.168 -9.605) 9.914 5.781 ( -1.154 2.168 9.605) 9.914 7.584 ( 2.400 -0.885 -2.947) 3.903 7.584 ( 2.400 -0.885 2.947) 3.903 8.069 ( 5.511 -0.699 -5.988) 8.168 8.069 ( 5.511 -0.699 5.988) 8.168 9.408 ( 0.466 0.227 -9.930) 9.944 9.408 ( 0.466 0.227 9.930) 9.944 ======================= Grid point 567 (162/196) ======================= q-point: (-0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -0.797 1.925 -2.044) 2.919 0.873 ( -0.797 1.925 2.044) 2.919 1.100 ( 0.306 -0.176 -1.526) 1.567 1.100 ( 0.306 -0.176 1.526) 1.567 1.482 ( -2.599 -0.766 -1.819) 3.263 1.482 ( -2.599 -0.766 1.819) 3.263 1.800 ( -2.690 0.656 -11.557) 11.884 1.800 ( -2.690 0.656 11.557) 11.884 2.334 ( -2.494 -3.722 -3.407) 5.628 2.334 ( -2.494 -3.722 3.407) 5.628 3.216 ( 7.304 -4.658 -7.022) 11.152 3.216 ( 7.304 -4.658 7.022) 11.152 3.305 ( -4.142 -5.354 -9.400) 11.584 3.305 ( -4.142 -5.354 9.400) 11.584 3.717 ( -2.142 1.481 -11.800) 12.084 3.717 ( -2.142 1.481 11.800) 12.084 4.331 ( -1.380 0.678 -4.721) 4.965 4.331 ( -1.380 0.678 4.721) 4.965 4.578 ( -3.632 -2.022 -3.512) 5.441 4.578 ( -3.632 -2.022 3.512) 5.441 5.294 ( 1.273 -2.610 -10.094) 10.503 5.294 ( 1.273 -2.610 10.094) 10.503 5.748 ( -0.607 2.300 -13.527) 13.735 5.748 ( -0.607 2.300 13.527) 13.735 7.626 ( 0.434 -2.536 -4.188) 4.915 7.626 ( 0.434 -2.536 4.188) 4.915 8.209 ( 8.493 -0.102 -5.020) 9.866 8.209 ( 8.493 -0.102 5.020) 9.866 9.417 ( 0.650 0.245 -9.817) 9.841 9.417 ( 0.650 0.245 9.817) 9.841 ======================= Grid point 569 (163/196) ======================= q-point: (-0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -0.390 1.363 -1.265) 1.900 0.851 ( -0.390 1.363 1.265) 1.900 1.093 ( -1.713 -1.866 -2.368) 3.468 1.093 ( -1.713 -1.866 2.368) 3.468 1.421 ( -3.919 0.169 -1.743) 4.293 1.421 ( -3.919 0.169 1.743) 4.293 1.701 ( -7.590 -0.284 -9.272) 11.986 1.701 ( -7.590 -0.284 9.272) 11.986 2.301 ( -1.923 -0.567 -8.598) 8.829 2.301 ( -1.923 -0.567 8.598) 8.829 3.157 ( -7.564 -2.548 -9.166) 12.154 3.157 ( -7.564 -2.548 9.166) 12.154 3.436 ( 5.026 -1.538 -3.687) 6.420 3.436 ( 5.026 -1.538 3.687) 6.420 3.673 ( -0.137 0.929 -14.508) 14.539 3.673 ( -0.137 0.929 14.508) 14.539 4.274 ( -2.975 0.266 -2.999) 4.232 4.274 ( -2.975 0.266 2.999) 4.232 4.544 ( -1.512 -1.352 -3.534) 4.075 4.544 ( -1.512 -1.352 3.534) 4.075 5.360 ( 4.349 -2.109 -9.309) 10.489 5.360 ( 4.349 -2.109 9.309) 10.489 5.744 ( 1.636 1.341 -12.967) 13.138 5.744 ( 1.636 1.341 12.967) 13.138 7.608 ( -4.880 -4.496 -5.146) 8.397 7.608 ( -4.880 -4.496 5.146) 8.397 8.386 ( 9.716 1.156 -4.492) 10.767 8.386 ( 9.716 1.156 4.492) 10.767 9.430 ( 0.765 0.151 -9.591) 9.623 9.430 ( 0.765 0.151 9.591) 9.623 ======================= Grid point 571 (164/196) ======================= q-point: (-0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 0.049 0.708 -2.938) 3.022 0.843 ( 0.049 0.708 2.938) 3.022 1.057 ( -3.334 -3.346 -5.454) 7.215 1.057 ( -3.334 -3.346 5.454) 7.215 1.312 ( -7.770 1.371 -2.722) 8.346 1.312 ( -7.770 1.371 2.722) 8.346 1.540 ( -8.047 -2.579 -4.153) 9.416 1.540 ( -8.047 -2.579 4.153) 9.416 2.270 ( -0.542 2.807 -15.362) 15.626 2.270 ( -0.542 2.807 15.362) 15.626 3.027 ( -5.776 1.140 -8.991) 10.747 3.027 ( -5.776 1.140 8.991) 10.747 3.356 ( -9.118 5.773 -7.927) 13.390 3.356 ( -9.118 5.773 7.927) 13.390 3.779 ( 8.106 -2.155 -13.335) 15.754 3.779 ( 8.106 -2.155 13.335) 15.754 4.242 ( -0.557 -0.775 -1.669) 1.922 4.242 ( -0.557 -0.775 1.669) 1.922 4.508 ( -3.020 -0.185 -3.181) 4.390 4.508 ( -3.020 -0.185 3.181) 4.390 5.480 ( 6.273 -0.776 -1.774) 6.566 5.480 ( 6.273 -0.776 1.774) 6.566 5.827 ( 8.671 -1.013 -3.227) 9.307 5.827 ( 8.671 -1.013 3.227) 9.307 7.471 ( -12.699 -5.711 -5.773) 15.073 7.471 ( -12.699 -5.711 5.773) 15.073 8.555 ( 8.281 2.331 -4.584) 9.747 8.555 ( 8.281 2.331 4.584) 9.747 9.445 ( 0.779 0.036 -9.239) 9.272 9.445 ( 0.779 0.036 9.239) 9.272 ======================= Grid point 573 (165/196) ======================= q-point: (-0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -1.515 0.893 -6.020) 6.272 0.831 ( -1.515 0.893 6.020) 6.272 1.018 ( -2.341 -4.077 -8.297) 9.537 1.018 ( -2.341 -4.077 8.297) 9.537 1.125 ( -8.505 0.513 -3.247) 9.118 1.125 ( -8.505 0.513 3.247) 9.118 1.457 ( -2.593 -2.645 -1.340) 3.939 1.457 ( -2.593 -2.645 1.340) 3.939 2.251 ( 0.527 3.356 -20.042) 20.328 2.251 ( 0.527 3.356 20.042) 20.328 2.934 ( -2.306 3.288 -8.938) 9.799 2.934 ( -2.306 3.288 8.938) 9.799 3.124 ( -9.243 7.720 -13.029) 17.742 3.124 ( -9.243 7.720 13.029) 17.742 3.935 ( 6.117 -1.923 -13.997) 15.396 3.935 ( 6.117 -1.923 13.997) 15.396 4.256 ( 1.697 -0.274 -3.182) 3.617 4.256 ( 1.697 -0.274 3.182) 3.617 4.425 ( -5.338 0.476 -2.449) 5.893 4.425 ( -5.338 0.476 2.449) 5.893 5.565 ( 2.416 0.780 -13.150) 13.393 5.565 ( 2.416 0.780 13.150) 13.393 6.142 ( 21.823 -4.418 -7.852) 23.610 6.142 ( 21.823 -4.418 7.852) 23.610 7.171 ( -21.518 -5.110 -4.682) 22.606 7.171 ( -21.518 -5.110 4.682) 22.606 8.667 ( 4.584 2.859 -4.685) 7.151 8.667 ( 4.584 2.859 4.685) 7.151 9.458 ( 0.567 -0.010 -8.872) 8.890 9.458 ( 0.567 -0.010 8.872) 8.890 ======================= Grid point 575 (166/196) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 1.172 -7.993) 8.079 0.790 ( 0.000 1.172 7.993) 8.079 1.028 ( -0.000 -3.840 -13.743) 14.270 1.028 ( -0.000 -3.840 13.743) 14.270 1.036 ( 0.000 0.018 -0.501) 0.502 1.036 ( 0.000 0.018 0.501) 0.502 1.447 ( -0.000 -1.576 -1.426) 2.126 1.447 ( -0.000 -1.576 1.426) 2.126 2.246 ( 0.000 1.877 -22.006) 22.086 2.246 ( 0.000 1.877 22.006) 22.086 2.901 ( 0.000 2.914 -8.529) 9.013 2.901 ( 0.000 2.914 8.529) 9.013 2.973 ( 0.000 6.704 -19.137) 20.278 2.973 ( 0.000 6.704 19.137) 20.278 4.010 ( -0.000 -1.511 -14.973) 15.049 4.010 ( -0.000 -1.511 14.973) 15.049 4.313 ( 0.000 0.348 -5.376) 5.387 4.313 ( 0.000 0.348 5.376) 5.387 4.321 ( 0.000 0.367 -1.425) 1.472 4.321 ( 0.000 0.367 1.425) 1.472 5.581 ( 0.000 0.798 -15.861) 15.881 5.581 ( 0.000 0.798 15.861) 15.881 6.588 ( -0.000 -7.973 -8.564) 11.701 6.588 ( -0.000 -7.973 8.564) 11.701 6.787 ( -0.000 -0.126 -3.334) 3.337 6.787 ( -0.000 -0.126 3.334) 3.337 8.696 ( 0.000 2.379 -4.621) 5.197 8.696 ( 0.000 2.379 4.621) 5.197 9.464 ( 0.000 0.005 -8.757) 8.757 9.464 ( 0.000 0.005 8.757) 8.757 ======================= Grid point 581 (167/196) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.042 0.000 -0.116) 0.123 0.828 ( 0.042 0.000 0.116) 0.123 1.106 ( -1.440 -0.000 -1.185) 1.865 1.106 ( -1.440 -0.000 1.185) 1.865 1.496 ( 3.264 0.000 -1.011) 3.417 1.496 ( 3.264 0.000 1.011) 3.417 1.799 ( 3.174 0.000 -11.488) 11.918 1.799 ( 3.174 0.000 11.488) 11.918 2.401 ( 3.907 0.000 -4.593) 6.030 2.401 ( 3.907 0.000 4.593) 6.030 3.307 ( -8.842 -0.000 -1.721) 9.007 3.307 ( -8.842 -0.000 1.721) 9.007 3.437 ( 9.173 0.000 -11.117) 14.413 3.437 ( 9.173 0.000 11.117) 14.413 3.668 ( 0.844 0.000 -5.811) 5.872 3.668 ( 0.844 0.000 5.811) 5.872 4.316 ( 2.004 0.000 -5.869) 6.202 4.316 ( 2.004 0.000 5.869) 6.202 4.620 ( 3.470 0.000 -1.508) 3.783 4.620 ( 3.470 0.000 1.508) 3.783 5.351 ( -1.202 -0.000 -10.361) 10.431 5.351 ( -1.202 -0.000 10.361) 10.431 5.701 ( 0.320 0.000 -16.513) 16.516 5.701 ( 0.320 0.000 16.513) 16.516 7.678 ( -2.932 -0.000 -0.556) 2.984 7.678 ( -2.932 -0.000 0.556) 2.984 8.211 ( -7.181 -0.000 -3.972) 8.206 8.211 ( -7.181 -0.000 3.972) 8.206 9.412 ( -0.694 -0.000 -9.883) 9.908 9.412 ( -0.694 -0.000 9.883) 9.908 ======================= Grid point 583 (168/196) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 1.449 -0.611 -1.765) 2.364 0.843 ( 1.449 -0.611 1.765) 2.364 1.075 ( -1.560 0.007 -2.555) 2.994 1.075 ( -1.560 0.007 2.555) 2.994 1.539 ( 1.201 0.141 -1.161) 1.676 1.539 ( 1.201 0.141 1.161) 1.676 1.846 ( 1.979 0.273 -10.114) 10.309 1.846 ( 1.979 0.273 10.114) 10.309 2.433 ( -0.509 0.607 -2.986) 3.089 2.433 ( -0.509 0.607 2.986) 3.089 3.103 ( -10.399 0.997 -3.313) 10.960 3.103 ( -10.399 0.997 3.313) 10.960 3.587 ( 4.674 3.021 -18.580) 19.396 3.587 ( 4.674 3.021 18.580) 19.396 3.682 ( 1.754 -2.130 -6.457) 7.022 3.682 ( 1.754 -2.130 6.457) 7.022 4.330 ( -0.835 0.011 -4.981) 5.050 4.330 ( -0.835 0.011 4.981) 5.050 4.693 ( 3.671 0.370 -1.855) 4.129 4.693 ( 3.671 0.370 1.855) 4.129 5.330 ( -1.102 0.555 -7.981) 8.076 5.330 ( -1.102 0.555 7.981) 8.076 5.728 ( 2.218 -0.453 -12.721) 12.921 5.728 ( 2.218 -0.453 12.721) 12.921 7.601 ( -4.147 0.111 -0.603) 4.192 7.601 ( -4.147 0.111 0.603) 4.192 8.090 ( -5.231 0.228 -4.534) 6.927 8.090 ( -5.231 0.228 4.534) 6.927 9.402 ( -0.362 -0.056 -10.015) 10.022 9.402 ( -0.362 -0.056 10.015) 10.022 ======================= Grid point 585 (169/196) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 2.256 -0.433 -1.930) 3.000 0.885 ( 2.256 -0.433 1.930) 3.000 1.053 ( -0.582 -0.049 -3.459) 3.508 1.053 ( -0.582 -0.049 3.459) 3.508 1.540 ( -0.901 -0.090 -0.265) 0.943 1.540 ( -0.901 -0.090 0.265) 0.943 1.873 ( 0.985 0.741 -6.123) 6.246 1.873 ( 0.985 0.741 6.123) 6.246 2.385 ( -3.708 -0.114 -3.039) 4.796 2.385 ( -3.708 -0.114 3.039) 4.796 2.931 ( -5.708 1.371 -3.806) 6.996 2.931 ( -5.708 1.371 3.806) 6.996 3.577 ( -3.023 0.755 -16.730) 17.017 3.577 ( -3.023 0.755 16.730) 17.017 3.760 ( 3.580 -0.234 -1.972) 4.094 3.760 ( 3.580 -0.234 1.972) 4.094 4.295 ( -2.051 -0.013 -1.803) 2.731 4.295 ( -2.051 -0.013 1.803) 2.731 4.737 ( 0.754 0.314 -0.846) 1.176 4.737 ( 0.754 0.314 0.846) 1.176 5.300 ( -1.647 0.382 -2.941) 3.392 5.300 ( -1.647 0.382 2.941) 3.392 5.779 ( 2.418 -0.318 -5.076) 5.632 5.779 ( 2.418 -0.318 5.076) 5.632 7.542 ( -1.677 -0.121 -0.347) 1.717 7.542 ( -1.677 -0.121 0.347) 1.717 8.010 ( -2.652 0.316 -5.803) 6.388 8.010 ( -2.652 0.316 5.803) 6.388 9.399 ( 0.029 -0.047 -10.030) 10.030 9.399 ( 0.029 -0.047 10.030) 10.030 ======================= Grid point 587 (170/196) ======================= q-point: (-0.62 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.888 0.525 -0.971) 1.416 0.918 ( 0.888 0.525 0.971) 1.416 1.060 ( 1.406 0.178 -3.808) 4.063 1.060 ( 1.406 0.178 3.808) 4.063 1.518 ( -1.395 -0.922 -2.419) 2.941 1.518 ( -1.395 -0.922 2.419) 2.941 1.870 ( -0.771 1.146 -2.010) 2.439 1.870 ( -0.771 1.146 2.010) 2.439 2.319 ( -3.217 -2.624 -3.601) 5.495 2.319 ( -3.217 -2.624 3.601) 5.495 2.888 ( 1.823 0.484 -2.640) 3.245 2.888 ( 1.823 0.484 2.640) 3.245 3.477 ( -7.395 -2.181 -16.869) 18.547 3.477 ( -7.395 -2.181 16.869) 18.547 3.799 ( 0.551 0.828 -5.920) 6.003 3.799 ( 0.551 0.828 5.920) 6.003 4.278 ( 0.454 -0.612 -2.061) 2.197 4.278 ( 0.454 -0.612 2.061) 2.197 4.717 ( -2.731 -0.260 -1.447) 3.102 4.717 ( -2.731 -0.260 1.447) 3.102 5.267 ( -1.639 -0.578 -3.005) 3.472 5.267 ( -1.639 -0.578 3.005) 3.472 5.812 ( 0.865 0.673 -2.662) 2.878 5.812 ( 0.865 0.673 2.662) 2.878 7.539 ( 1.081 -0.271 -1.795) 2.113 7.539 ( 1.081 -0.271 1.795) 2.113 7.994 ( 1.231 -0.107 -6.661) 6.775 7.994 ( 1.231 -0.107 6.661) 6.775 9.403 ( 0.327 0.059 -9.977) 9.982 9.403 ( 0.327 0.059 9.977) 9.982 ======================= Grid point 589 (171/196) ======================= q-point: (-0.54 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -0.567 1.038 -2.058) 2.374 0.915 ( -0.567 1.038 2.058) 2.374 1.092 ( 1.583 0.807 -3.859) 4.248 1.092 ( 1.583 0.807 3.859) 4.248 1.499 ( -1.330 -1.240 -3.689) 4.113 1.499 ( -1.330 -1.240 3.689) 4.113 1.843 ( -0.936 1.077 -8.265) 8.387 1.843 ( -0.936 1.077 8.265) 8.387 2.295 ( -1.763 -4.483 -3.270) 5.822 2.295 ( -1.763 -4.483 3.270) 5.822 2.985 ( 7.363 -1.858 -2.493) 7.992 2.985 ( 7.363 -1.858 2.493) 7.992 3.340 ( -8.093 -4.806 -15.512) 18.144 3.340 ( -8.093 -4.806 15.512) 18.144 3.779 ( -1.804 0.954 -9.737) 9.949 3.779 ( -1.804 0.954 9.737) 9.949 4.313 ( 2.176 -0.740 -3.406) 4.109 4.313 ( 2.176 -0.740 3.406) 4.109 4.642 ( -5.042 -1.015 -3.218) 6.067 4.642 ( -5.042 -1.015 3.218) 6.067 5.249 ( -0.710 -1.729 -7.484) 7.714 5.249 ( -0.710 -1.729 7.484) 7.714 5.804 ( -0.729 1.876 -8.386) 8.624 5.804 ( -0.729 1.876 8.386) 8.624 7.573 ( 1.728 -0.881 -3.541) 4.037 7.573 ( 1.728 -0.881 3.541) 4.037 8.062 ( 5.565 -0.494 -6.482) 8.557 8.062 ( 5.565 -0.494 6.482) 8.557 9.410 ( 0.510 0.186 -9.901) 9.915 9.410 ( 0.510 0.186 9.901) 9.915 ======================= Grid point 591 (172/196) ======================= q-point: (-0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.941 1.355 -1.622) 2.313 0.892 ( -0.941 1.355 1.622) 2.313 1.100 ( -0.568 0.072 -2.863) 2.919 1.100 ( -0.568 0.072 2.863) 2.919 1.473 ( -2.166 -0.773 -3.116) 3.873 1.473 ( -2.166 -0.773 3.116) 3.873 1.812 ( -2.393 1.493 -11.533) 11.873 1.812 ( -2.393 1.493 11.533) 11.873 2.287 ( -1.603 -4.298 -2.746) 5.347 2.287 ( -1.603 -4.298 2.746) 5.347 3.161 ( 5.452 -4.869 -9.586) 12.055 3.161 ( 5.452 -4.869 9.586) 12.055 3.249 ( -1.263 -4.251 -7.081) 8.355 3.249 ( -1.263 -4.251 7.081) 8.355 3.731 ( -2.278 0.967 -11.826) 12.082 3.731 ( -2.278 0.967 11.826) 12.082 4.338 ( -0.614 0.509 -4.010) 4.088 4.338 ( -0.614 0.509 4.010) 4.088 4.555 ( -3.862 -1.838 -4.423) 6.153 4.555 ( -3.862 -1.838 4.423) 6.153 5.266 ( 1.347 -2.312 -10.066) 10.416 5.266 ( 1.347 -2.312 10.066) 10.416 5.774 ( -0.875 2.207 -11.914) 12.148 5.774 ( -0.875 2.207 11.914) 12.148 7.598 ( -0.713 -2.434 -5.197) 5.783 7.598 ( -0.713 -2.434 5.197) 5.783 8.208 ( 9.059 -0.102 -5.476) 10.586 8.208 ( 9.059 -0.102 5.476) 10.586 9.420 ( 0.625 0.230 -9.785) 9.807 9.420 ( 0.625 0.230 9.785) 9.807 ======================= Grid point 593 (173/196) ======================= q-point: (-0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.616 1.462 -0.678) 1.725 0.868 ( -0.616 1.462 0.678) 1.725 1.072 ( -2.687 -1.724 -2.959) 4.353 1.072 ( -2.687 -1.724 2.959) 4.353 1.420 ( -3.601 -0.336 -2.170) 4.218 1.420 ( -3.601 -0.336 2.170) 4.218 1.702 ( -8.643 0.451 -9.468) 12.828 1.702 ( -8.643 0.451 9.468) 12.828 2.291 ( 0.435 -1.044 -7.627) 7.711 2.291 ( 0.435 -1.044 7.627) 7.711 3.130 ( -4.820 -2.051 -8.421) 9.917 3.130 ( -4.820 -2.051 8.421) 9.917 3.410 ( 7.942 -2.944 -3.676) 9.233 3.410 ( 7.942 -2.944 3.676) 9.233 3.686 ( -1.207 1.239 -14.082) 14.188 3.686 ( -1.207 1.239 14.082) 14.188 4.280 ( -3.678 0.716 -3.345) 5.023 4.280 ( -3.678 0.716 3.345) 5.023 4.527 ( -0.799 -1.447 -4.718) 4.999 4.527 ( -0.799 -1.447 4.718) 4.999 5.335 ( 4.755 -2.088 -9.895) 11.175 5.335 ( 4.755 -2.088 9.895) 11.175 5.759 ( 0.769 1.322 -11.997) 12.094 5.759 ( 0.769 1.322 11.997) 12.094 7.556 ( -6.029 -4.516 -6.504) 9.952 7.556 ( -6.029 -4.516 6.504) 9.952 8.399 ( 10.495 1.050 -4.496) 11.466 8.399 ( 10.495 1.050 4.496) 11.466 9.432 ( 0.686 0.146 -9.566) 9.592 9.432 ( 0.686 0.146 9.566) 9.592 ======================= Grid point 595 (174/196) ======================= q-point: (-0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -0.136 1.152 -1.320) 1.757 0.853 ( -0.136 1.152 1.320) 1.757 1.021 ( -3.733 -2.892 -5.213) 7.034 1.021 ( -3.733 -2.892 5.213) 7.034 1.324 ( -7.411 0.652 -2.642) 7.895 1.324 ( -7.411 0.652 2.642) 7.895 1.508 ( -9.729 -2.824 -4.612) 11.131 1.508 ( -9.729 -2.824 4.612) 11.131 2.305 ( 1.249 3.138 -13.658) 14.069 2.305 ( 1.249 3.138 13.658) 14.069 3.047 ( -3.352 2.385 -6.950) 8.076 3.047 ( -3.352 2.385 6.950) 8.076 3.423 ( -5.890 5.535 -7.924) 11.319 3.423 ( -5.890 5.535 7.924) 11.319 3.751 ( 7.327 -2.528 -13.742) 15.777 3.751 ( 7.327 -2.528 13.742) 15.777 4.234 ( -0.733 -0.563 -1.968) 2.174 4.234 ( -0.733 -0.563 1.968) 2.174 4.506 ( -2.377 -0.172 -4.309) 4.924 4.506 ( -2.377 -0.172 4.309) 4.924 5.470 ( 7.427 -0.997 -3.637) 8.329 5.470 ( 7.427 -0.997 3.637) 8.329 5.814 ( 6.322 -1.205 -3.970) 7.562 5.814 ( 6.322 -1.205 3.970) 7.562 7.402 ( -13.290 -6.141 -6.984) 16.221 7.402 ( -13.290 -6.141 6.984) 16.221 8.583 ( 9.004 2.453 -4.250) 10.254 8.583 ( 9.004 2.453 4.250) 10.254 9.445 ( 0.690 -0.017 -9.197) 9.223 9.445 ( 0.690 -0.017 9.197) 9.223 ======================= Grid point 597 (175/196) ======================= q-point: (-0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -0.886 1.037 -4.650) 4.846 0.843 ( -0.886 1.037 4.650) 4.846 0.972 ( -2.758 -3.569 -7.267) 8.553 0.972 ( -2.758 -3.569 7.267) 8.553 1.129 ( -9.438 0.292 -2.858) 9.865 1.129 ( -9.438 0.292 2.858) 9.865 1.416 ( -2.940 -4.571 -1.382) 5.608 1.416 ( -2.940 -4.571 1.382) 5.608 2.301 ( 0.881 5.172 -17.682) 18.444 2.301 ( 0.881 5.172 17.682) 18.444 2.982 ( -1.039 5.062 -6.404) 8.229 2.982 ( -1.039 5.062 6.404) 8.229 3.228 ( -7.595 10.156 -13.703) 18.671 3.228 ( -7.595 10.156 13.703) 18.671 3.906 ( 5.837 -3.136 -14.611) 16.043 3.906 ( 5.837 -3.136 14.611) 16.043 4.253 ( 2.283 -0.232 -2.496) 3.391 4.253 ( 2.283 -0.232 2.496) 3.391 4.431 ( -5.026 0.710 -3.109) 5.953 4.431 ( -5.026 0.710 3.109) 5.953 5.576 ( 3.064 1.115 -12.647) 13.061 5.576 ( 3.064 1.115 12.647) 13.061 6.079 ( 18.795 -6.375 -10.043) 22.243 6.079 ( 18.795 -6.375 10.043) 22.243 7.106 ( -20.504 -5.786 -5.546) 22.015 7.106 ( -20.504 -5.786 5.546) 22.015 8.704 ( 5.019 3.522 -4.420) 7.558 8.704 ( 5.019 3.522 4.420) 7.558 9.457 ( 0.521 -0.129 -8.762) 8.778 9.457 ( 0.521 -0.129 8.762) 8.778 ======================= Grid point 599 (176/196) ======================= q-point: (-0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 1.914 -6.937) 7.196 0.809 ( 0.000 1.914 6.937) 7.196 0.974 ( -0.000 -5.215 -12.075) 13.153 0.974 ( -0.000 -5.215 12.075) 13.153 1.036 ( 0.000 0.041 -0.523) 0.525 1.036 ( 0.000 0.041 0.523) 0.525 1.415 ( -0.000 -4.039 -1.728) 4.393 1.415 ( -0.000 -4.039 1.728) 4.393 2.282 ( 0.000 4.505 -19.724) 20.232 2.282 ( 0.000 4.505 19.724) 20.232 2.947 ( 0.000 5.134 -7.669) 9.229 2.947 ( 0.000 5.134 7.669) 9.229 3.077 ( 0.000 11.078 -18.594) 21.644 3.077 ( 0.000 11.078 18.594) 21.644 3.985 ( -0.000 -2.941 -15.181) 15.463 3.985 ( -0.000 -2.941 15.181) 15.463 4.319 ( 0.000 0.682 -4.674) 4.724 4.319 ( 0.000 0.682 4.674) 4.724 4.327 ( 0.000 0.649 -1.351) 1.499 4.327 ( 0.000 0.649 1.351) 1.499 5.595 ( 0.000 1.459 -15.902) 15.969 5.595 ( 0.000 1.459 15.902) 15.969 6.466 ( -0.000 -12.819 -13.477) 18.600 6.466 ( -0.000 -12.819 13.477) 18.600 6.785 ( -0.000 -0.236 -3.364) 3.372 6.785 ( -0.000 -0.236 3.364) 3.372 8.732 ( 0.000 3.713 -4.574) 5.891 8.732 ( 0.000 3.713 4.574) 5.891 9.464 ( -0.000 -0.100 -8.595) 8.595 9.464 ( -0.000 -0.100 8.595) 8.595 ======================= Grid point 609 (177/196) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 2.555 0.000 -1.901) 3.184 0.883 ( 2.555 0.000 1.901) 3.184 1.053 ( -0.586 -0.000 -3.433) 3.483 1.053 ( -0.586 -0.000 3.433) 3.483 1.540 ( -1.089 -0.000 -0.189) 1.105 1.540 ( -1.089 -0.000 0.189) 1.105 1.877 ( 1.067 0.000 -6.261) 6.351 1.877 ( 1.067 0.000 6.261) 6.351 2.384 ( -4.271 -0.000 -3.255) 5.370 2.384 ( -4.271 -0.000 3.255) 5.370 2.939 ( -5.914 -0.000 -3.705) 6.979 2.939 ( -5.914 -0.000 3.705) 6.979 3.581 ( -4.083 -0.000 -17.333) 17.808 3.581 ( -4.083 -0.000 17.333) 17.808 3.759 ( 4.225 0.000 -1.273) 4.412 3.759 ( 4.225 0.000 1.273) 4.412 4.295 ( -2.177 -0.000 -1.572) 2.686 4.295 ( -2.177 -0.000 1.572) 2.686 4.739 ( 0.615 0.000 -0.628) 0.879 4.739 ( 0.615 0.000 0.628) 0.879 5.302 ( -1.888 -0.000 -2.886) 3.449 5.302 ( -1.888 -0.000 2.886) 3.449 5.777 ( 2.640 0.000 -5.244) 5.871 5.777 ( 2.640 0.000 5.244) 5.871 7.541 ( -1.718 -0.000 -0.359) 1.755 7.541 ( -1.718 -0.000 0.359) 1.755 8.012 ( -2.745 -0.000 -5.720) 6.345 8.012 ( -2.745 -0.000 5.720) 6.345 9.399 ( 0.054 0.000 -10.035) 10.035 9.399 ( 0.054 0.000 10.035) 10.035 ======================= Grid point 611 (178/196) ======================= q-point: (-0.69 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 1.134 0.186 -0.361) 1.205 0.922 ( 1.134 0.186 0.361) 1.205 1.062 ( 1.647 0.068 -3.839) 4.178 1.062 ( 1.647 0.068 3.839) 4.178 1.510 ( -1.642 -0.380 -2.853) 3.314 1.510 ( -1.642 -0.380 2.853) 3.314 1.880 ( -0.692 0.572 -0.634) 1.099 1.880 ( -0.692 0.572 0.634) 1.099 2.296 ( -4.186 -1.125 -4.333) 6.129 2.296 ( -4.186 -1.125 4.333) 6.129 2.893 ( 1.174 0.289 -2.133) 2.452 2.893 ( 1.174 0.289 2.133) 2.452 3.460 ( -8.350 -0.831 -17.510) 19.417 3.460 ( -8.350 -0.831 17.510) 19.417 3.805 ( 0.581 0.308 -5.699) 5.737 3.805 ( 0.581 0.308 5.699) 5.737 4.273 ( 0.266 -0.253 -1.721) 1.760 4.273 ( 0.266 -0.253 1.721) 1.760 4.715 ( -2.998 -0.085 -1.350) 3.289 4.715 ( -2.998 -0.085 1.350) 3.289 5.263 ( -2.057 -0.210 -2.945) 3.598 5.263 ( -2.057 -0.210 2.945) 3.598 5.817 ( 1.322 0.253 -2.240) 2.613 5.817 ( 1.322 0.253 2.240) 2.613 7.537 ( 0.992 -0.120 -2.007) 2.242 7.537 ( 0.992 -0.120 2.007) 2.242 7.993 ( 1.028 -0.021 -6.724) 6.802 7.993 ( 1.028 -0.021 6.724) 6.802 9.403 ( 0.376 0.021 -9.972) 9.979 9.403 ( 0.376 0.021 9.972) 9.979 ======================= Grid point 613 (179/196) ======================= q-point: (-0.62 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.627 0.427 -1.687) 1.850 0.923 ( -0.627 0.427 1.687) 1.850 1.100 ( 1.680 0.523 -4.450) 4.785 1.100 ( 1.680 0.523 4.450) 4.785 1.488 ( -1.098 -0.710 -5.127) 5.292 1.488 ( -1.098 -0.710 5.127) 5.292 1.856 ( -0.769 1.056 -7.126) 7.245 1.856 ( -0.769 1.056 7.126) 7.245 2.251 ( -2.076 -3.054 -4.193) 5.587 2.251 ( -2.076 -3.054 4.193) 5.587 2.970 ( 6.221 -0.834 -1.785) 6.526 2.970 ( 6.221 -0.834 1.785) 6.526 3.296 ( -8.552 -2.737 -15.905) 18.265 3.296 ( -8.552 -2.737 15.905) 18.265 3.786 ( -1.948 0.437 -9.136) 9.351 3.786 ( -1.948 0.437 9.136) 9.351 4.305 ( 2.417 -0.497 -3.288) 4.110 4.305 ( 2.417 -0.497 3.288) 4.110 4.633 ( -5.286 -0.538 -3.274) 6.241 4.633 ( -5.286 -0.538 3.274) 6.241 5.234 ( -1.001 -0.948 -7.500) 7.626 5.234 ( -1.001 -0.948 7.500) 7.626 5.822 ( -0.432 1.089 -7.495) 7.586 5.822 ( -0.432 1.089 7.495) 7.586 7.565 ( 1.270 -0.557 -3.911) 4.149 7.565 ( 1.270 -0.557 3.911) 4.149 8.058 ( 5.579 -0.245 -6.792) 8.793 8.058 ( 5.579 -0.245 6.792) 8.793 9.412 ( 0.542 0.104 -9.881) 9.896 9.412 ( 0.542 0.104 9.881) 9.896 ======================= Grid point 615 (180/196) ======================= q-point: (-0.54 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -1.000 0.564 -1.598) 1.967 0.903 ( -1.000 0.564 1.598) 1.967 1.102 ( -1.281 0.250 -4.204) 4.402 1.102 ( -1.281 0.250 4.204) 4.402 1.465 ( -1.913 -0.530 -4.484) 4.904 1.465 ( -1.913 -0.530 4.484) 4.904 1.832 ( -2.062 1.862 -11.473) 11.804 1.832 ( -2.062 1.862 11.473) 11.804 2.240 ( -0.776 -3.804 -2.314) 4.520 2.240 ( -0.776 -3.804 2.314) 4.520 3.110 ( 3.805 -3.724 -10.708) 11.959 3.110 ( 3.805 -3.724 10.708) 11.959 3.210 ( 1.040 -2.631 -5.777) 6.433 3.210 ( 1.040 -2.631 5.777) 6.433 3.739 ( -2.325 0.508 -11.501) 11.745 3.739 ( -2.325 0.508 11.501) 11.745 4.342 ( 0.223 0.248 -3.450) 3.466 4.342 ( 0.223 0.248 3.450) 3.466 4.537 ( -4.152 -1.238 -5.065) 6.665 4.537 ( -4.152 -1.238 5.065) 6.665 5.243 ( 1.424 -1.546 -10.095) 10.311 5.243 ( 1.424 -1.546 10.095) 10.311 5.796 ( -1.144 1.590 -10.497) 10.679 5.796 ( -1.144 1.590 10.497) 10.679 7.573 ( -1.569 -1.756 -5.914) 6.365 7.573 ( -1.569 -1.756 5.914) 6.365 8.207 ( 9.465 -0.076 -5.808) 11.105 8.207 ( 9.465 -0.076 5.808) 11.105 9.422 ( 0.603 0.162 -9.760) 9.780 9.422 ( 0.603 0.162 9.760) 9.780 ======================= Grid point 617 (181/196) ======================= q-point: (-0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -0.614 0.957 -0.525) 1.252 0.882 ( -0.614 0.957 0.525) 1.252 1.057 ( -3.305 -0.907 -3.461) 4.871 1.057 ( -3.305 -0.907 3.461) 4.871 1.413 ( -3.804 -0.840 -2.561) 4.662 1.413 ( -3.804 -0.840 2.561) 4.662 1.711 ( -9.718 1.119 -9.521) 13.651 1.711 ( -9.718 1.119 9.521) 13.651 2.278 ( 2.889 -1.264 -6.589) 7.305 2.278 ( 2.889 -1.264 6.589) 7.305 3.111 ( -1.848 -1.375 -7.944) 8.271 3.111 ( -1.848 -1.375 7.944) 8.271 3.375 ( 9.244 -3.007 -3.103) 10.204 3.375 ( 9.244 -3.007 3.103) 10.204 3.699 ( -1.266 0.967 -13.398) 13.493 3.699 ( -1.266 0.967 13.398) 13.493 4.289 ( -4.131 0.885 -3.097) 5.238 4.289 ( -4.131 0.885 3.097) 5.238 4.512 ( -0.088 -1.213 -5.690) 5.819 4.512 ( -0.088 -1.213 5.690) 5.819 5.314 ( 5.120 -1.597 -10.514) 11.803 5.314 ( 5.120 -1.597 10.514) 11.803 5.773 ( -0.116 1.017 -10.846) 10.894 5.773 ( -0.116 1.017 10.846) 10.894 7.509 ( -6.933 -3.578 -7.717) 10.974 7.509 ( -6.933 -3.578 7.717) 10.974 8.409 ( 11.158 0.761 -4.453) 12.037 8.409 ( 11.158 0.761 4.453) 12.037 9.433 ( 0.597 0.111 -9.552) 9.572 9.433 ( 0.597 0.111 9.552) 9.572 ======================= Grid point 619 (182/196) ======================= q-point: (-0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.226 1.377 -0.197) 1.409 0.868 ( -0.226 1.377 0.197) 1.409 0.994 ( -3.661 -1.740 -4.455) 6.024 0.994 ( -3.661 -1.740 4.455) 6.024 1.325 ( -6.681 -0.587 -2.074) 7.020 1.325 ( -6.681 -0.587 2.074) 7.020 1.480 ( -12.248 -2.073 -5.270) 13.493 1.480 ( -12.248 -2.073 5.270) 13.493 2.339 ( 3.319 2.810 -12.209) 12.960 2.339 ( 3.319 2.810 12.209) 12.960 3.079 ( -0.897 3.040 -5.225) 6.111 3.079 ( -0.897 3.040 5.225) 6.111 3.476 ( -1.257 3.502 -6.693) 7.658 3.476 ( -1.257 3.502 6.693) 7.658 3.725 ( 5.382 -1.910 -13.688) 14.831 3.725 ( 5.382 -1.910 13.688) 14.831 4.230 ( -1.067 -0.100 -2.304) 2.541 4.230 ( -1.067 -0.100 2.304) 2.541 4.505 ( -1.676 -0.115 -5.059) 5.330 4.505 ( -1.676 -0.115 5.059) 5.330 5.459 ( 8.484 -0.950 -6.120) 10.504 5.459 ( 8.484 -0.950 6.120) 10.504 5.801 ( 3.968 -1.175 -4.544) 6.146 5.801 ( 3.968 -1.175 4.544) 6.146 7.337 ( -13.599 -5.178 -8.485) 16.845 7.337 ( -13.599 -5.178 8.485) 16.845 8.609 ( 9.699 2.056 -3.727) 10.592 8.609 ( 9.699 2.056 3.727) 10.592 9.444 ( 0.559 -0.070 -9.201) 9.218 9.444 ( 0.559 -0.070 9.201) 9.218 ======================= Grid point 621 (183/196) ======================= q-point: (-0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.549 1.081 -2.998) 3.234 0.854 ( -0.549 1.081 2.998) 3.234 0.941 ( -2.998 -1.827 -5.095) 6.188 0.941 ( -2.998 -1.827 5.095) 6.188 1.132 ( -10.060 0.150 -2.646) 10.404 1.132 ( -10.060 0.150 2.646) 10.404 1.357 ( -3.694 -5.573 -1.409) 6.833 1.357 ( -3.694 -5.573 1.409) 6.833 2.364 ( 1.759 5.722 -15.571) 16.682 2.364 ( 1.759 5.722 15.571) 16.682 3.045 ( -0.007 5.687 -4.843) 7.470 3.045 ( -0.007 5.687 4.843) 7.470 3.348 ( -5.324 10.539 -14.814) 18.944 3.348 ( -5.324 10.539 14.814) 18.944 3.864 ( 5.328 -4.154 -15.354) 16.774 3.864 ( 5.328 -4.154 15.354) 16.774 4.251 ( 2.922 -0.038 -1.948) 3.512 4.251 ( 2.922 -0.038 1.948) 3.512 4.440 ( -4.667 0.802 -3.484) 5.879 4.440 ( -4.667 0.802 3.484) 5.879 5.590 ( 3.942 1.204 -11.614) 12.324 5.590 ( 3.942 1.204 11.614) 12.324 6.002 ( 14.991 -6.858 -12.506) 20.692 6.002 ( 14.991 -6.858 12.506) 20.692 7.045 ( -18.852 -4.806 -6.775) 20.601 7.045 ( -18.852 -4.806 6.775) 20.601 8.744 ( 5.477 3.306 -3.770) 7.426 8.744 ( 5.477 3.306 3.770) 7.426 9.455 ( 0.429 -0.270 -8.744) 8.759 9.455 ( 0.429 -0.270 8.744) 8.759 ======================= Grid point 623 (184/196) ======================= q-point: (-0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 2.068 -5.532) 5.906 0.832 ( 0.000 2.068 5.532) 5.906 0.919 ( -0.000 -4.132 -9.443) 10.307 0.919 ( -0.000 -4.132 9.443) 10.307 1.037 ( 0.000 0.066 -0.534) 0.538 1.037 ( 0.000 0.066 0.534) 0.538 1.357 ( -0.000 -5.933 -1.587) 6.142 1.357 ( -0.000 -5.933 1.587) 6.142 2.346 ( 0.000 6.329 -17.347) 18.466 2.346 ( 0.000 6.329 17.347) 18.466 3.013 ( 0.000 6.148 -6.429) 8.895 3.013 ( 0.000 6.148 6.429) 8.895 3.216 ( 0.000 12.875 -18.538) 22.571 3.216 ( 0.000 12.875 18.538) 22.571 3.944 ( -0.000 -4.233 -15.692) 16.253 3.944 ( -0.000 -4.233 15.692) 16.253 4.329 ( 0.000 0.936 -3.731) 3.846 4.329 ( 0.000 0.936 3.731) 3.846 4.335 ( 0.000 0.782 -1.263) 1.486 4.335 ( 0.000 0.782 1.263) 1.486 5.614 ( 0.000 1.826 -15.757) 15.863 5.614 ( 0.000 1.826 15.757) 15.863 6.312 ( -0.000 -13.751 -19.043) 23.489 6.312 ( -0.000 -13.751 19.043) 23.489 6.781 ( -0.000 -0.305 -3.390) 3.404 6.781 ( -0.000 -0.305 3.390) 3.404 8.776 ( 0.000 3.910 -4.086) 5.655 8.776 ( 0.000 3.910 4.086) 5.655 9.461 ( -0.000 -0.290 -8.505) 8.510 9.461 ( -0.000 -0.290 8.505) 8.510 ======================= Grid point 637 (185/196) ======================= q-point: (-0.69 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -0.677 -0.000 -1.605) 1.741 0.925 ( -0.677 -0.000 1.605) 1.741 1.103 ( 1.715 0.000 -4.665) 4.970 1.103 ( 1.715 0.000 4.665) 4.970 1.484 ( -0.974 -0.000 -5.707) 5.790 1.484 ( -0.974 -0.000 5.707) 5.790 1.863 ( -0.700 -0.000 -6.570) 6.607 1.863 ( -0.700 -0.000 6.570) 6.607 2.232 ( -2.198 -0.000 -4.592) 5.091 2.232 ( -2.198 -0.000 4.592) 5.091 2.965 ( 5.767 0.000 -1.478) 5.953 2.965 ( 5.767 0.000 1.478) 5.953 3.280 ( -8.698 -0.000 -16.092) 18.292 3.280 ( -8.698 -0.000 16.092) 18.292 3.789 ( -2.009 -0.000 -8.879) 9.103 3.789 ( -2.009 -0.000 8.879) 9.103 4.302 ( 2.500 0.000 -3.259) 4.107 4.302 ( 2.500 0.000 3.259) 4.107 4.630 ( -5.369 -0.000 -3.276) 6.290 4.630 ( -5.369 -0.000 3.276) 6.290 5.228 ( -1.099 -0.000 -7.511) 7.591 5.228 ( -1.099 -0.000 7.511) 7.591 5.828 ( -0.326 -0.000 -7.161) 7.169 5.828 ( -0.326 -0.000 7.161) 7.169 7.562 ( 1.109 0.000 -4.035) 4.185 7.562 ( 1.109 0.000 4.035) 4.185 8.056 ( 5.578 0.000 -6.895) 8.869 8.056 ( 5.578 0.000 6.895) 8.869 9.412 ( 0.554 0.000 -9.874) 9.890 9.412 ( 0.554 0.000 9.874) 9.890 ======================= Grid point 641 (186/196) ======================= q-point: (-0.62 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -1.053 0.106 -2.074) 2.328 0.906 ( -1.053 0.106 2.074) 2.328 1.104 ( -1.602 0.135 -4.937) 5.192 1.104 ( -1.602 0.135 4.937) 5.192 1.461 ( -1.868 -0.179 -5.368) 5.687 1.461 ( -1.868 -0.179 5.368) 5.687 1.849 ( -1.829 0.930 -11.429) 11.611 1.849 ( -1.829 0.930 11.429) 11.611 2.207 ( -0.261 -1.621 -2.172) 2.723 2.207 ( -0.261 -1.621 2.172) 2.723 3.081 ( 3.008 -1.389 -10.878) 11.372 3.081 ( 3.008 -1.389 10.878) 11.372 3.190 ( 2.144 -0.887 -5.339) 5.821 3.190 ( 2.144 -0.887 5.339) 5.821 3.743 ( -2.335 0.153 -11.210) 11.452 3.743 ( -2.335 0.153 11.210) 11.452 4.344 ( 0.765 0.061 -3.171) 3.263 4.344 ( 0.765 0.061 3.171) 3.263 4.528 ( -4.356 -0.429 -5.363) 6.922 4.528 ( -4.356 -0.429 5.363) 6.922 5.231 ( 1.475 -0.538 -10.126) 10.247 5.231 ( 1.475 -0.538 10.126) 10.247 5.808 ( -1.314 0.579 -9.639) 9.745 5.808 ( -1.314 0.579 9.639) 9.745 7.559 ( -2.017 -0.640 -6.289) 6.635 7.559 ( -2.017 -0.640 6.289) 6.635 8.206 ( 9.672 -0.028 -5.978) 11.370 8.206 ( 9.672 -0.028 5.978) 11.370 9.424 ( 0.590 0.058 -9.747) 9.765 9.424 ( 0.590 0.058 9.747) 9.765 ======================= Grid point 643 (187/196) ======================= q-point: (-0.54 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.509 0.301 -1.539) 1.649 0.889 ( -0.509 0.301 1.539) 1.649 1.051 ( -3.511 -0.135 -4.076) 5.382 1.051 ( -3.511 -0.135 4.076) 5.382 1.404 ( -4.255 -0.744 -2.852) 5.176 1.404 ( -4.255 -0.744 2.852) 5.176 1.724 ( -10.668 0.977 -9.369) 14.231 1.724 ( -10.668 0.977 9.369) 14.231 2.265 ( 4.904 -0.904 -5.672) 7.552 2.265 ( 4.904 -0.904 5.672) 7.552 3.099 ( 0.555 -0.690 -7.731) 7.781 3.099 ( 0.555 -0.690 7.731) 7.781 3.346 ( 9.530 -1.838 -2.552) 10.035 3.346 ( 9.530 -1.838 2.552) 10.035 3.707 ( -1.056 0.487 -12.773) 12.826 3.707 ( -1.056 0.487 12.773) 12.826 4.298 ( -4.315 0.596 -2.580) 5.063 4.298 ( -4.315 0.596 2.580) 5.063 4.501 ( 0.442 -0.691 -6.323) 6.376 4.501 ( 0.442 -0.691 6.323) 6.376 5.300 ( 5.376 -0.841 -10.988) 12.261 5.300 ( 5.376 -0.841 10.988) 12.261 5.782 ( -0.792 0.542 -9.821) 9.868 5.782 ( -0.792 0.542 9.821) 9.868 7.477 ( -7.482 -1.963 -8.551) 11.530 7.477 ( -7.482 -1.963 8.551) 11.530 8.416 ( 11.596 0.394 -4.401) 12.410 8.416 ( 11.596 0.394 4.401) 12.410 9.434 ( 0.527 0.059 -9.548) 9.563 9.434 ( 0.527 0.059 9.548) 9.563 ======================= Grid point 645 (188/196) ======================= q-point: (-0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.019 0.997 -1.036) 1.438 0.882 ( 0.019 0.997 1.036) 1.438 0.982 ( -3.506 -0.442 -3.629) 5.066 0.982 ( -3.506 -0.442 3.629) 5.066 1.313 ( -6.022 -1.399 -1.441) 6.348 1.313 ( -6.022 -1.399 1.441) 6.348 1.462 ( -14.623 -0.947 -5.720) 15.731 1.462 ( -14.623 -0.947 5.720) 15.731 2.367 ( 5.139 1.960 -11.273) 12.543 2.367 ( 5.139 1.960 11.273) 12.543 3.112 ( 1.069 2.624 -3.542) 4.536 3.112 ( 1.069 2.624 3.542) 4.536 3.500 ( 3.832 0.991 -3.663) 5.393 3.500 ( 3.832 0.991 3.663) 5.393 3.710 ( 2.570 -0.651 -12.600) 12.876 3.710 ( 2.570 -0.651 12.600) 12.876 4.231 ( -1.438 0.214 -1.936) 2.421 4.231 ( -1.438 0.214 1.936) 2.421 4.504 ( -1.080 -0.054 -5.456) 5.562 4.504 ( -1.080 -0.054 5.456) 5.562 5.450 ( 9.217 -0.648 -8.247) 12.385 5.450 ( 9.217 -0.648 8.247) 12.385 5.788 ( 2.128 -0.893 -4.712) 5.247 5.788 ( 2.128 -0.893 4.712) 5.247 7.287 ( -13.656 -3.370 -9.735) 17.106 7.287 ( -13.656 -3.370 9.735) 17.106 8.628 ( 10.242 1.346 -3.161) 10.803 8.628 ( 10.242 1.346 3.161) 10.803 9.443 ( 0.423 -0.078 -9.236) 9.246 9.443 ( 0.423 -0.078 9.236) 9.246 ======================= Grid point 647 (189/196) ======================= q-point: (-0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.670 1.458 -1.262) 2.042 0.869 ( -0.670 1.458 1.262) 2.042 0.929 ( -2.672 -0.463 -3.025) 4.063 0.929 ( -2.672 -0.463 3.025) 4.063 1.133 ( -10.456 0.046 -2.599) 10.774 1.133 ( -10.456 0.046 2.599) 10.774 1.294 ( -4.565 -5.291 -1.465) 7.140 1.294 ( -4.565 -5.291 1.465) 7.140 2.425 ( 2.772 4.824 -14.149) 15.204 2.425 ( 2.772 4.824 14.149) 15.204 3.107 ( 0.588 4.919 -3.628) 6.141 3.107 ( 0.588 4.919 3.628) 6.141 3.462 ( -2.561 9.369 -15.510) 18.301 3.462 ( -2.561 9.369 15.510) 18.301 3.813 ( 4.412 -4.801 -15.813) 17.104 3.813 ( 4.412 -4.801 15.813) 17.104 4.252 ( 3.425 0.149 -1.668) 3.812 4.252 ( 3.425 0.149 1.668) 3.812 4.449 ( -4.338 0.705 -3.569) 5.662 4.449 ( -4.338 0.705 3.569) 5.662 5.603 ( 4.872 1.014 -9.743) 10.941 5.603 ( 4.872 1.014 9.743) 10.941 5.929 ( 11.415 -5.706 -14.702) 19.468 5.929 ( 11.415 -5.706 14.702) 19.468 6.999 ( -17.133 -3.219 -7.771) 19.086 6.999 ( -17.133 -3.219 7.771) 19.086 8.777 ( 5.877 2.517 -2.871) 7.008 8.777 ( 5.877 2.517 2.871) 7.008 9.452 ( 0.306 -0.320 -8.822) 8.834 9.452 ( 0.306 -0.320 8.822) 8.834 ======================= Grid point 649 (190/196) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 1.743 -4.031) 4.392 0.854 ( 0.000 1.743 4.031) 4.392 0.885 ( -0.000 -1.773 -6.066) 6.319 0.885 ( -0.000 -1.773 6.066) 6.319 1.038 ( 0.000 0.080 -0.515) 0.521 1.038 ( 0.000 0.080 0.515) 0.521 1.286 ( -0.000 -6.378 -1.233) 6.496 1.286 ( -0.000 -6.378 1.233) 6.496 2.419 ( 0.000 6.304 -15.538) 16.768 2.419 ( 0.000 6.304 15.538) 16.768 3.082 ( 0.000 5.745 -5.075) 7.665 3.082 ( 0.000 5.745 5.075) 7.665 3.363 ( 0.000 12.687 -18.833) 22.708 3.363 ( 0.000 12.687 18.833) 22.708 3.889 ( -0.000 -5.355 -16.482) 17.331 3.889 ( -0.000 -5.355 16.482) 17.331 4.340 ( 0.000 1.002 -2.860) 3.030 4.340 ( 0.000 1.002 2.860) 3.030 4.344 ( 0.000 0.736 -1.199) 1.407 4.344 ( 0.000 0.736 1.199) 1.407 5.634 ( 0.000 1.757 -15.216) 15.317 5.634 ( 0.000 1.757 15.216) 15.317 6.165 ( -0.000 -11.644 -24.272) 26.920 6.165 ( -0.000 -11.644 24.272) 26.920 6.778 ( -0.000 -0.310 -3.396) 3.410 6.778 ( -0.000 -0.310 3.396) 3.410 8.818 ( 0.000 3.325 -3.206) 4.619 8.818 ( 0.000 3.325 3.206) 4.619 9.457 ( -0.000 -0.431 -8.555) 8.566 9.457 ( -0.000 -0.431 8.555) 8.566 ======================= Grid point 667 (191/196) ======================= q-point: (-0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.462 -0.000 -2.009) 2.062 0.891 ( -0.462 -0.000 2.009) 2.062 1.051 ( -3.518 -0.000 -4.388) 5.625 1.051 ( -3.518 -0.000 4.388) 5.625 1.399 ( -4.482 -0.000 -2.954) 5.368 1.399 ( -4.482 -0.000 2.954) 5.368 1.730 ( -11.086 -0.000 -9.254) 14.441 1.730 ( -11.086 -0.000 9.254) 14.441 2.259 ( 5.719 0.000 -5.267) 7.775 2.259 ( 5.719 0.000 5.267) 7.775 3.095 ( 1.496 0.000 -7.681) 7.825 3.095 ( 1.496 0.000 7.681) 7.825 3.335 ( 9.514 0.000 -2.377) 9.807 3.335 ( 9.514 0.000 2.377) 9.807 3.710 ( -0.958 -0.000 -12.521) 12.557 3.710 ( -0.958 -0.000 12.521) 12.557 4.302 ( -4.354 -0.000 -2.316) 4.931 4.302 ( -4.354 -0.000 2.316) 4.931 4.497 ( 0.640 0.000 -6.540) 6.571 4.497 ( 0.640 0.000 6.540) 6.571 5.295 ( 5.468 0.000 -11.164) 12.431 5.295 ( 5.468 0.000 11.164) 12.431 5.785 ( -1.048 -0.000 -9.392) 9.450 5.785 ( -1.048 -0.000 9.392) 9.450 7.466 ( -7.663 -0.000 -8.847) 11.704 7.466 ( -7.663 -0.000 8.847) 11.704 8.418 ( 11.749 0.000 -4.379) 12.539 8.418 ( 11.749 0.000 4.379) 12.539 9.434 ( 0.501 0.000 -9.547) 9.561 9.434 ( 0.501 0.000 9.547) 9.561 ======================= Grid point 671 (192/196) ======================= q-point: (-0.54 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.338 0.300 -1.332) 1.406 0.890 ( 0.338 0.300 1.332) 1.406 0.981 ( -3.408 0.098 -3.530) 4.908 0.981 ( -3.408 0.098 3.530) 4.908 1.299 ( -5.892 -0.746 -0.879) 6.004 1.299 ( -5.892 -0.746 0.879) 6.004 1.456 ( -15.843 -0.232 -5.802) 16.874 1.456 ( -15.843 -0.232 5.802) 16.874 2.382 ( 6.201 0.708 -10.848) 12.515 2.382 ( 6.201 0.708 10.848) 12.515 3.134 ( 2.160 1.058 -1.806) 3.008 3.134 ( 2.160 1.058 1.806) 3.008 3.504 ( 6.882 -0.028 -1.331) 7.010 3.504 ( 6.882 -0.028 1.331) 7.010 3.707 ( 0.811 -0.035 -11.474) 11.503 3.707 ( 0.811 -0.035 11.474) 11.503 4.233 ( -1.669 0.139 -0.967) 1.934 4.233 ( -1.669 0.139 0.967) 1.934 4.503 ( -0.738 -0.014 -5.598) 5.646 4.503 ( -0.738 -0.014 5.598) 5.646 5.445 ( 9.573 -0.223 -9.449) 13.453 5.445 ( 9.573 -0.223 9.449) 13.453 5.781 ( 1.130 -0.340 -4.599) 4.748 5.781 ( 1.130 -0.340 4.599) 4.748 7.261 ( -13.621 -1.161 -10.425) 17.192 7.261 ( -13.621 -1.161 10.425) 17.192 8.639 ( 10.540 0.467 -2.773) 10.908 8.639 ( 10.540 0.467 2.773) 10.908 9.443 ( 0.336 -0.033 -9.267) 9.273 9.443 ( 0.336 -0.033 9.267) 9.273 ======================= Grid point 673 (193/196) ======================= q-point: (-0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -0.622 1.344 -0.303) 1.512 0.886 ( -0.622 1.344 0.303) 1.512 0.927 ( -2.361 0.069 -2.022) 3.109 0.927 ( -2.361 0.069 2.022) 3.109 1.133 ( -10.720 -0.032 -2.439) 10.994 1.133 ( -10.720 -0.032 2.439) 10.994 1.242 ( -5.294 -3.443 -1.292) 6.445 1.242 ( -5.294 -3.443 1.292) 6.445 2.469 ( 3.531 2.747 -13.403) 14.130 2.469 ( 3.531 2.747 13.403) 14.130 3.152 ( 0.794 2.865 -2.591) 3.944 3.152 ( 0.794 2.865 2.591) 3.944 3.556 ( 0.579 6.879 -13.993) 15.603 3.556 ( 0.579 6.879 13.993) 15.603 3.758 ( 2.755 -4.588 -14.312) 15.280 3.758 ( 2.755 -4.588 14.312) 15.280 4.254 ( 3.703 0.167 -1.356) 3.947 4.254 ( 3.703 0.167 1.356) 3.947 4.455 ( -4.109 0.416 -3.484) 5.403 4.455 ( -4.109 0.416 3.484) 5.403 5.612 ( 5.602 0.580 -6.971) 8.962 5.612 ( 5.602 0.580 6.971) 8.962 5.878 ( 8.929 -3.223 -16.295) 18.859 5.878 ( 8.929 -3.223 16.295) 18.859 6.972 ( -15.914 -1.578 -8.380) 18.054 6.972 ( -15.914 -1.578 8.380) 18.054 8.799 ( 6.154 1.357 -1.967) 6.602 8.799 ( 6.154 1.357 1.967) 6.602 9.448 ( 0.196 -0.218 -8.927) 8.932 9.448 ( 0.196 -0.218 8.927) 8.932 ======================= Grid point 675 (194/196) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 1.130 -2.582) 2.819 0.870 ( 0.000 1.130 2.582) 2.819 0.877 ( 0.000 0.267 -2.580) 2.594 0.877 ( 0.000 0.267 2.580) 2.594 1.038 ( 0.000 0.068 -0.465) 0.470 1.038 ( 0.000 0.068 0.465) 0.470 1.218 ( -0.000 -5.241 -0.843) 5.308 1.218 ( -0.000 -5.241 0.843) 5.308 2.483 ( 0.000 4.560 -14.421) 15.125 2.483 ( 0.000 4.560 14.421) 15.125 3.139 ( 0.000 4.047 -3.922) 5.636 3.139 ( 0.000 4.047 3.922) 5.636 3.499 ( 0.000 11.061 -18.729) 21.752 3.499 ( 0.000 11.061 18.729) 21.752 3.823 ( -0.000 -6.235 -16.996) 18.103 3.823 ( -0.000 -6.235 16.996) 18.103 4.350 ( 0.000 0.792 -2.329) 2.460 4.350 ( 0.000 0.792 2.329) 2.460 4.351 ( 0.000 0.522 -1.175) 1.286 4.351 ( 0.000 0.522 1.175) 1.286 5.652 ( 0.000 1.228 -14.259) 14.312 5.652 ( 0.000 1.228 14.259) 14.312 6.054 ( -0.000 -7.628 -28.882) 29.872 6.054 ( -0.000 -7.628 28.882) 29.872 6.775 ( -0.000 -0.233 -3.383) 3.391 6.775 ( -0.000 -0.233 3.383) 3.391 8.850 ( 0.000 2.223 -2.155) 3.096 8.850 ( 0.000 2.223 2.155) 3.096 9.452 ( -0.000 -0.396 -8.695) 8.704 9.452 ( -0.000 -0.396 8.695) 8.704 ======================= Grid point 697 (195/196) ======================= q-point: (-0.54 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -0.416 -0.000 -0.806) 0.907 0.894 ( -0.416 -0.000 0.806) 0.907 0.928 ( -2.345 -0.000 -1.938) 3.042 0.928 ( -2.345 -0.000 1.938) 3.042 1.133 ( -10.842 -0.000 -2.049) 11.034 1.133 ( -10.842 -0.000 2.049) 11.034 1.222 ( -5.596 -0.000 -0.282) 5.603 1.222 ( -5.596 -0.000 0.282) 5.603 2.485 ( 3.809 0.000 -13.180) 13.719 2.485 ( 3.809 0.000 13.180) 13.719 3.169 ( 0.820 0.000 -2.110) 2.264 3.169 ( 0.820 0.000 2.110) 2.264 3.603 ( 3.004 0.000 -3.045) 4.277 3.603 ( 3.004 0.000 3.045) 4.277 3.725 ( 0.913 0.000 -4.732) 4.820 3.725 ( 0.913 0.000 4.732) 4.820 4.255 ( 3.785 0.000 -1.123) 3.948 4.255 ( 3.785 0.000 1.123) 3.948 4.458 ( -4.026 -0.000 -3.422) 5.284 4.458 ( -4.026 -0.000 3.422) 5.284 5.615 ( 5.882 0.000 -5.066) 7.763 5.615 ( 5.882 0.000 5.066) 7.763 5.859 ( 8.043 0.000 -16.912) 18.727 5.859 ( 8.043 0.000 16.912) 18.727 6.963 ( -15.483 -0.000 -8.584) 17.703 6.963 ( -15.483 -0.000 8.584) 17.703 8.807 ( 6.255 0.000 -1.516) 6.436 8.807 ( 6.255 0.000 1.516) 6.436 9.447 ( 0.152 0.000 -8.974) 8.976 9.447 ( 0.152 0.000 8.974) 8.976 ======================= Grid point 701 (196/196) ======================= q-point: (-0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 1.65e-04 1.65e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.000 0.388 -1.393) 1.446 0.879 ( 0.000 0.388 1.393) 1.446 0.884 ( 0.000 0.536 -0.998) 1.133 0.884 ( 0.000 0.536 0.998) 1.133 1.039 ( 0.000 0.027 -0.417) 0.418 1.039 ( 0.000 0.027 0.417) 0.418 1.174 ( -0.000 -2.168 -1.239) 2.498 1.174 ( -0.000 -2.168 1.239) 2.498 2.519 ( 0.000 1.658 -13.907) 14.005 2.519 ( 0.000 1.658 13.907) 14.005 3.171 ( 0.000 1.455 -3.258) 3.568 3.171 ( 0.000 1.455 3.258) 3.568 3.607 ( 0.000 7.043 -14.374) 16.007 3.607 ( 0.000 7.043 14.374) 16.007 3.752 ( -0.000 -5.369 -13.130) 14.185 3.752 ( -0.000 -5.369 13.130) 14.185 4.355 ( 0.000 0.188 -1.176) 1.191 4.355 ( 0.000 0.188 1.176) 1.191 4.357 ( 0.000 0.305 -2.146) 2.168 4.357 ( 0.000 0.305 2.146) 2.168 5.661 ( 0.000 0.426 -13.398) 13.405 5.661 ( 0.000 0.426 13.398) 13.405 5.995 ( -0.000 -2.632 -31.997) 32.105 5.995 ( -0.000 -2.632 31.997) 32.105 6.773 ( -0.000 -0.087 -3.368) 3.369 6.773 ( -0.000 -0.087 3.368) 3.369 8.867 ( 0.000 0.783 -1.242) 1.468 8.867 ( 0.000 0.783 1.242) 1.468 9.449 ( -0.000 -0.161 -8.811) 8.813 9.449 ( -0.000 -0.161 8.811) 8.813 =================== 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 3/30420 10.0 40.829 59.702 49.005 0.000 0.000 0.000 3/30420 20.0 12.437 12.446 14.952 0.000 0.000 0.000 3/30420 30.0 6.975 6.155 8.435 0.000 0.000 0.000 3/30420 40.0 4.718 3.903 5.865 0.000 0.000 0.000 3/30420 50.0 3.554 2.816 4.545 0.000 0.000 0.000 3/30420 60.0 2.867 2.197 3.751 0.000 0.000 0.000 3/30420 70.0 2.422 1.804 3.218 0.000 0.000 0.000 3/30420 80.0 2.110 1.534 2.832 0.000 0.000 0.000 3/30420 90.0 1.880 1.337 2.539 0.000 0.000 0.000 3/30420 100.0 1.700 1.186 2.305 0.000 0.000 0.000 3/30420 110.0 1.556 1.067 2.114 0.000 0.000 0.000 3/30420 120.0 1.436 0.971 1.954 0.000 0.000 0.000 3/30420 130.0 1.335 0.891 1.818 0.000 0.000 0.000 3/30420 140.0 1.248 0.824 1.700 0.000 0.000 0.000 3/30420 150.0 1.171 0.766 1.597 0.000 0.000 0.000 3/30420 160.0 1.104 0.716 1.506 0.000 0.000 0.000 3/30420 170.0 1.045 0.673 1.425 0.000 0.000 0.000 3/30420 180.0 0.991 0.634 1.352 0.000 0.000 0.000 3/30420 190.0 0.943 0.600 1.286 0.000 0.000 0.000 3/30420 200.0 0.899 0.569 1.226 0.000 0.000 0.000 3/30420 210.0 0.859 0.542 1.172 0.000 0.000 0.000 3/30420 220.0 0.822 0.517 1.122 0.000 0.000 0.000 3/30420 230.0 0.789 0.494 1.076 0.000 0.000 0.000 3/30420 240.0 0.758 0.473 1.034 0.000 0.000 0.000 3/30420 250.0 0.729 0.454 0.995 0.000 0.000 0.000 3/30420 260.0 0.702 0.436 0.959 0.000 0.000 0.000 3/30420 270.0 0.678 0.420 0.925 0.000 0.000 0.000 3/30420 280.0 0.655 0.405 0.894 0.000 0.000 0.000 3/30420 290.0 0.633 0.390 0.864 0.000 0.000 0.000 3/30420 300.0 0.613 0.377 0.837 0.000 0.000 0.000 3/30420 310.0 0.594 0.365 0.811 0.000 0.000 0.000 3/30420 320.0 0.576 0.354 0.787 0.000 0.000 0.000 3/30420 330.0 0.559 0.343 0.764 0.000 0.000 0.000 3/30420 340.0 0.543 0.333 0.742 0.000 0.000 0.000 3/30420 350.0 0.528 0.323 0.722 0.000 0.000 0.000 3/30420 360.0 0.514 0.314 0.702 0.000 0.000 0.000 3/30420 370.0 0.501 0.306 0.684 0.000 0.000 0.000 3/30420 380.0 0.488 0.298 0.666 0.000 0.000 0.000 3/30420 390.0 0.476 0.290 0.650 0.000 0.000 0.000 3/30420 400.0 0.464 0.283 0.634 0.000 0.000 0.000 3/30420 410.0 0.453 0.276 0.619 0.000 0.000 0.000 3/30420 420.0 0.443 0.269 0.605 0.000 0.000 0.000 3/30420 430.0 0.433 0.263 0.591 0.000 0.000 0.000 3/30420 440.0 0.423 0.257 0.578 0.000 0.000 0.000 3/30420 450.0 0.414 0.251 0.565 0.000 0.000 0.000 3/30420 460.0 0.405 0.246 0.553 0.000 0.000 0.000 3/30420 470.0 0.397 0.240 0.542 0.000 0.000 0.000 3/30420 480.0 0.388 0.235 0.531 0.000 0.000 0.000 3/30420 490.0 0.381 0.231 0.520 0.000 0.000 0.000 3/30420 500.0 0.373 0.226 0.510 0.000 0.000 0.000 3/30420 510.0 0.366 0.222 0.500 0.000 0.000 0.000 3/30420 520.0 0.359 0.217 0.491 0.000 0.000 0.000 3/30420 530.0 0.352 0.213 0.482 0.000 0.000 0.000 3/30420 540.0 0.346 0.209 0.473 0.000 0.000 0.000 3/30420 550.0 0.340 0.205 0.464 0.000 0.000 0.000 3/30420 560.0 0.334 0.202 0.456 0.000 0.000 0.000 3/30420 570.0 0.328 0.198 0.448 0.000 0.000 0.000 3/30420 580.0 0.323 0.195 0.441 0.000 0.000 0.000 3/30420 590.0 0.317 0.191 0.434 0.000 0.000 0.000 3/30420 600.0 0.312 0.188 0.426 0.000 0.000 0.000 3/30420 610.0 0.307 0.185 0.420 0.000 0.000 0.000 3/30420 620.0 0.302 0.182 0.413 0.000 0.000 0.000 3/30420 630.0 0.297 0.179 0.406 0.000 0.000 0.000 3/30420 640.0 0.293 0.176 0.400 0.000 0.000 0.000 3/30420 650.0 0.288 0.174 0.394 0.000 0.000 0.000 3/30420 660.0 0.284 0.171 0.388 0.000 0.000 0.000 3/30420 670.0 0.280 0.169 0.382 0.000 0.000 0.000 3/30420 680.0 0.276 0.166 0.377 0.000 0.000 0.000 3/30420 690.0 0.272 0.164 0.371 0.000 0.000 0.000 3/30420 700.0 0.268 0.161 0.366 0.000 0.000 0.000 3/30420 710.0 0.264 0.159 0.361 0.000 0.000 0.000 3/30420 720.0 0.261 0.157 0.356 0.000 0.000 0.000 3/30420 730.0 0.257 0.155 0.351 0.000 0.000 0.000 3/30420 740.0 0.254 0.153 0.347 0.000 0.000 0.000 3/30420 750.0 0.250 0.151 0.342 0.000 0.000 0.000 3/30420 760.0 0.247 0.149 0.338 0.000 0.000 0.000 3/30420 770.0 0.244 0.147 0.333 0.000 0.000 0.000 3/30420 780.0 0.241 0.145 0.329 0.000 0.000 0.000 3/30420 790.0 0.238 0.143 0.325 0.000 0.000 0.000 3/30420 800.0 0.235 0.141 0.321 0.000 0.000 0.000 3/30420 810.0 0.232 0.139 0.317 0.000 0.000 0.000 3/30420 820.0 0.229 0.138 0.313 0.000 0.000 0.000 3/30420 830.0 0.226 0.136 0.309 0.000 0.000 0.000 3/30420 840.0 0.224 0.134 0.306 0.000 0.000 0.000 3/30420 850.0 0.221 0.133 0.302 0.000 0.000 0.000 3/30420 860.0 0.218 0.131 0.299 0.000 0.000 0.000 3/30420 870.0 0.216 0.130 0.295 0.000 0.000 0.000 3/30420 880.0 0.214 0.128 0.292 0.000 0.000 0.000 3/30420 890.0 0.211 0.127 0.289 0.000 0.000 0.000 3/30420 900.0 0.209 0.125 0.286 0.000 0.000 0.000 3/30420 910.0 0.207 0.124 0.282 0.000 0.000 0.000 3/30420 920.0 0.204 0.123 0.279 0.000 0.000 0.000 3/30420 930.0 0.202 0.121 0.276 0.000 0.000 0.000 3/30420 940.0 0.200 0.120 0.274 0.000 0.000 0.000 3/30420 950.0 0.198 0.119 0.271 0.000 0.000 0.000 3/30420 960.0 0.196 0.118 0.268 0.000 0.000 0.000 3/30420 970.0 0.194 0.116 0.265 0.000 0.000 0.000 3/30420 980.0 0.192 0.115 0.262 0.000 0.000 0.000 3/30420 990.0 0.190 0.114 0.260 0.000 0.000 0.000 3/30420 1000.0 0.188 0.113 0.257 0.000 0.000 0.000 3/30420 Thermal conductivity related properties were written into "kappa-m13136.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:26:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|