----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:28:03]------------------------- 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: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.517740627527462 -1.898863025000000 0.000000000000000 b 7.517740627527462 1.898863025000000 0.000000000000000 c -4.807837664014324 0.000000000000000 8.849276263394158 Atomic positions (fractional): *1 Cl 0.95310143288297 0.95310143288297 0.26466351080331 35.453 2 Cl 0.04689856711703 0.04689856711703 0.73533648919669 35.453 *3 Cl 0.76953163351536 0.76953163351536 0.88104627450344 35.453 4 Cl 0.23046836648464 0.23046836648464 0.11895372549656 35.453 *5 Cl 0.34216396574255 0.34216396574255 0.49272821125695 35.453 6 Cl 0.65783603425745 0.65783603425745 0.50727178874305 35.453 *7 Y 0.13882152694562 0.13882152694562 0.29224143793011 88.906 8 Y 0.86117847305438 0.86117847305438 0.70775856206989 88.906 *9 Y 0.41072954078493 0.41072954078493 0.05023748107699 88.906 10 Y 0.58927045921507 0.58927045921507 0.94976251892301 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.035481255054924 0.000000000000000 0.000000000000000 b 0.000000000000000 3.797726050000000 0.000000000000000 c -4.807837664014324 0.000000000000000 8.849276263394158 Atomic positions (fractional): *1 Cl 0.95310143288297 0.00000000000000 0.26466351080331 35.453 > 1 2 Cl 0.04689856711703 0.00000000000000 0.73533648919669 35.453 > 2 *3 Cl 0.26953163351536 0.50000000000000 0.88104627450344 35.453 > 3 4 Cl 0.73046836648464 0.50000000000000 0.11895372549656 35.453 > 4 *5 Cl 0.84216396574255 0.50000000000000 0.49272821125695 35.453 > 5 6 Cl 0.15783603425745 0.50000000000000 0.50727178874305 35.453 > 6 7 Cl 0.45310143288297 0.50000000000000 0.26466351080331 35.453 > 1 8 Cl 0.54689856711703 0.50000000000000 0.73533648919669 35.453 > 2 9 Cl 0.76953163351536 0.00000000000000 0.88104627450344 35.453 > 3 10 Cl 0.23046836648464 0.00000000000000 0.11895372549656 35.453 > 4 11 Cl 0.34216396574255 0.00000000000000 0.49272821125695 35.453 > 5 12 Cl 0.65783603425745 0.00000000000000 0.50727178874305 35.453 > 6 *13 Y 0.13882152694562 0.00000000000000 0.29224143793011 88.906 > 7 14 Y 0.86117847305438 0.00000000000000 0.70775856206989 88.906 > 8 *15 Y 0.91072954078493 0.50000000000000 0.05023748107699 88.906 > 9 16 Y 0.08927045921507 0.50000000000000 0.94976251892301 88.906 > 10 17 Y 0.63882152694562 0.50000000000000 0.29224143793011 88.906 > 7 18 Y 0.36117847305438 0.50000000000000 0.70775856206989 88.906 > 8 19 Y 0.41072954078493 0.00000000000000 0.05023748107699 88.906 > 9 20 Y 0.58927045921507 0.00000000000000 0.94976251892301 88.906 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.035481255054924 0.000000000000000 0.000000000000000 b 0.000000000000000 11.393178150000001 0.000000000000000 c -9.615675328028647 0.000000000000000 17.698552526788315 Atomic positions (fractional): *1 Cl 0.95310143288297 0.00000000000000 0.13233175540165 35.453 > 1 2 Cl 0.95310143288297 0.33333333333333 0.13233175540165 35.453 > 1 3 Cl 0.95310143288297 0.66666666666667 0.13233175540165 35.453 > 1 4 Cl 0.95310143288297 0.00000000000000 0.63233175540165 35.453 > 1 5 Cl 0.95310143288297 0.33333333333333 0.63233175540165 35.453 > 1 6 Cl 0.95310143288297 0.66666666666667 0.63233175540165 35.453 > 1 7 Cl 0.04689856711703 0.00000000000000 0.36766824459835 35.453 > 2 8 Cl 0.04689856711703 0.33333333333333 0.36766824459835 35.453 > 2 9 Cl 0.04689856711703 0.66666666666667 0.36766824459835 35.453 > 2 10 Cl 0.04689856711703 0.00000000000000 0.86766824459835 35.453 > 2 11 Cl 0.04689856711703 0.33333333333333 0.86766824459835 35.453 > 2 12 Cl 0.04689856711703 0.66666666666667 0.86766824459835 35.453 > 2 *13 Cl 0.26953163351536 0.16666666666667 0.44052313725172 35.453 > 3 14 Cl 0.26953163351536 0.50000000000000 0.44052313725172 35.453 > 3 15 Cl 0.26953163351536 0.83333333333333 0.44052313725172 35.453 > 3 16 Cl 0.26953163351536 0.16666666666667 0.94052313725172 35.453 > 3 17 Cl 0.26953163351536 0.50000000000000 0.94052313725172 35.453 > 3 18 Cl 0.26953163351536 0.83333333333333 0.94052313725172 35.453 > 3 19 Cl 0.73046836648464 0.16666666666667 0.05947686274828 35.453 > 4 20 Cl 0.73046836648464 0.50000000000000 0.05947686274828 35.453 > 4 21 Cl 0.73046836648464 0.83333333333333 0.05947686274828 35.453 > 4 22 Cl 0.73046836648464 0.16666666666667 0.55947686274828 35.453 > 4 23 Cl 0.73046836648464 0.50000000000000 0.55947686274828 35.453 > 4 24 Cl 0.73046836648464 0.83333333333333 0.55947686274828 35.453 > 4 *25 Cl 0.84216396574255 0.16666666666667 0.24636410562848 35.453 > 5 26 Cl 0.84216396574255 0.50000000000000 0.24636410562848 35.453 > 5 27 Cl 0.84216396574255 0.83333333333333 0.24636410562848 35.453 > 5 28 Cl 0.84216396574255 0.16666666666667 0.74636410562848 35.453 > 5 29 Cl 0.84216396574255 0.50000000000000 0.74636410562848 35.453 > 5 30 Cl 0.84216396574255 0.83333333333333 0.74636410562848 35.453 > 5 31 Cl 0.15783603425745 0.16666666666667 0.25363589437152 35.453 > 6 32 Cl 0.15783603425745 0.50000000000000 0.25363589437152 35.453 > 6 33 Cl 0.15783603425745 0.83333333333333 0.25363589437152 35.453 > 6 34 Cl 0.15783603425745 0.16666666666667 0.75363589437152 35.453 > 6 35 Cl 0.15783603425745 0.50000000000000 0.75363589437152 35.453 > 6 36 Cl 0.15783603425745 0.83333333333333 0.75363589437152 35.453 > 6 37 Cl 0.45310143288297 0.16666666666667 0.13233175540165 35.453 > 1 38 Cl 0.45310143288297 0.50000000000000 0.13233175540165 35.453 > 1 39 Cl 0.45310143288297 0.83333333333333 0.13233175540165 35.453 > 1 40 Cl 0.45310143288297 0.16666666666667 0.63233175540165 35.453 > 1 41 Cl 0.45310143288297 0.50000000000000 0.63233175540165 35.453 > 1 42 Cl 0.45310143288297 0.83333333333333 0.63233175540165 35.453 > 1 43 Cl 0.54689856711703 0.16666666666667 0.36766824459835 35.453 > 2 44 Cl 0.54689856711703 0.50000000000000 0.36766824459835 35.453 > 2 45 Cl 0.54689856711703 0.83333333333333 0.36766824459835 35.453 > 2 46 Cl 0.54689856711703 0.16666666666667 0.86766824459835 35.453 > 2 47 Cl 0.54689856711703 0.50000000000000 0.86766824459835 35.453 > 2 48 Cl 0.54689856711703 0.83333333333333 0.86766824459835 35.453 > 2 49 Cl 0.76953163351536 0.00000000000000 0.44052313725172 35.453 > 3 50 Cl 0.76953163351536 0.33333333333333 0.44052313725172 35.453 > 3 51 Cl 0.76953163351536 0.66666666666667 0.44052313725172 35.453 > 3 52 Cl 0.76953163351536 0.00000000000000 0.94052313725172 35.453 > 3 53 Cl 0.76953163351536 0.33333333333333 0.94052313725172 35.453 > 3 54 Cl 0.76953163351536 0.66666666666667 0.94052313725172 35.453 > 3 55 Cl 0.23046836648464 0.00000000000000 0.05947686274828 35.453 > 4 56 Cl 0.23046836648464 0.33333333333333 0.05947686274828 35.453 > 4 57 Cl 0.23046836648464 0.66666666666667 0.05947686274828 35.453 > 4 58 Cl 0.23046836648464 0.00000000000000 0.55947686274828 35.453 > 4 59 Cl 0.23046836648464 0.33333333333333 0.55947686274828 35.453 > 4 60 Cl 0.23046836648464 0.66666666666667 0.55947686274828 35.453 > 4 61 Cl 0.34216396574255 0.00000000000000 0.24636410562848 35.453 > 5 62 Cl 0.34216396574255 0.33333333333333 0.24636410562848 35.453 > 5 63 Cl 0.34216396574255 0.66666666666667 0.24636410562848 35.453 > 5 64 Cl 0.34216396574255 0.00000000000000 0.74636410562848 35.453 > 5 65 Cl 0.34216396574255 0.33333333333333 0.74636410562848 35.453 > 5 66 Cl 0.34216396574255 0.66666666666667 0.74636410562848 35.453 > 5 67 Cl 0.65783603425745 0.00000000000000 0.25363589437152 35.453 > 6 68 Cl 0.65783603425745 0.33333333333333 0.25363589437152 35.453 > 6 69 Cl 0.65783603425745 0.66666666666667 0.25363589437152 35.453 > 6 70 Cl 0.65783603425745 0.00000000000000 0.75363589437152 35.453 > 6 71 Cl 0.65783603425745 0.33333333333333 0.75363589437152 35.453 > 6 72 Cl 0.65783603425745 0.66666666666667 0.75363589437152 35.453 > 6 *73 Y 0.13882152694562 0.00000000000000 0.14612071896506 88.906 > 7 74 Y 0.13882152694562 0.33333333333333 0.14612071896506 88.906 > 7 75 Y 0.13882152694562 0.66666666666667 0.14612071896506 88.906 > 7 76 Y 0.13882152694562 0.00000000000000 0.64612071896506 88.906 > 7 77 Y 0.13882152694562 0.33333333333333 0.64612071896506 88.906 > 7 78 Y 0.13882152694562 0.66666666666667 0.64612071896506 88.906 > 7 79 Y 0.86117847305438 0.00000000000000 0.35387928103494 88.906 > 8 80 Y 0.86117847305438 0.33333333333333 0.35387928103494 88.906 > 8 81 Y 0.86117847305438 0.66666666666667 0.35387928103494 88.906 > 8 82 Y 0.86117847305438 0.00000000000000 0.85387928103494 88.906 > 8 83 Y 0.86117847305438 0.33333333333333 0.85387928103494 88.906 > 8 84 Y 0.86117847305438 0.66666666666667 0.85387928103494 88.906 > 8 *85 Y 0.91072954078493 0.16666666666667 0.02511874053849 88.906 > 9 86 Y 0.91072954078493 0.50000000000000 0.02511874053849 88.906 > 9 87 Y 0.91072954078493 0.83333333333333 0.02511874053849 88.906 > 9 88 Y 0.91072954078493 0.16666666666667 0.52511874053849 88.906 > 9 89 Y 0.91072954078493 0.50000000000000 0.52511874053849 88.906 > 9 90 Y 0.91072954078493 0.83333333333333 0.52511874053849 88.906 > 9 91 Y 0.08927045921507 0.16666666666667 0.47488125946151 88.906 > 10 92 Y 0.08927045921507 0.50000000000000 0.47488125946151 88.906 > 10 93 Y 0.08927045921507 0.83333333333333 0.47488125946151 88.906 > 10 94 Y 0.08927045921507 0.16666666666667 0.97488125946151 88.906 > 10 95 Y 0.08927045921507 0.50000000000000 0.97488125946151 88.906 > 10 96 Y 0.08927045921507 0.83333333333333 0.97488125946151 88.906 > 10 97 Y 0.63882152694562 0.16666666666667 0.14612071896506 88.906 > 7 98 Y 0.63882152694562 0.50000000000000 0.14612071896506 88.906 > 7 99 Y 0.63882152694562 0.83333333333333 0.14612071896506 88.906 > 7 100 Y 0.63882152694562 0.16666666666667 0.64612071896506 88.906 > 7 101 Y 0.63882152694562 0.50000000000000 0.64612071896506 88.906 > 7 102 Y 0.63882152694562 0.83333333333333 0.64612071896506 88.906 > 7 103 Y 0.36117847305438 0.16666666666667 0.35387928103494 88.906 > 8 104 Y 0.36117847305438 0.50000000000000 0.35387928103494 88.906 > 8 105 Y 0.36117847305438 0.83333333333333 0.35387928103494 88.906 > 8 106 Y 0.36117847305438 0.16666666666667 0.85387928103494 88.906 > 8 107 Y 0.36117847305438 0.50000000000000 0.85387928103494 88.906 > 8 108 Y 0.36117847305438 0.83333333333333 0.85387928103494 88.906 > 8 109 Y 0.41072954078493 0.00000000000000 0.02511874053849 88.906 > 9 110 Y 0.41072954078493 0.33333333333333 0.02511874053849 88.906 > 9 111 Y 0.41072954078493 0.66666666666667 0.02511874053849 88.906 > 9 112 Y 0.41072954078493 0.00000000000000 0.52511874053849 88.906 > 9 113 Y 0.41072954078493 0.33333333333333 0.52511874053849 88.906 > 9 114 Y 0.41072954078493 0.66666666666667 0.52511874053849 88.906 > 9 115 Y 0.58927045921507 0.00000000000000 0.47488125946151 88.906 > 10 116 Y 0.58927045921507 0.33333333333333 0.47488125946151 88.906 > 10 117 Y 0.58927045921507 0.66666666666667 0.47488125946151 88.906 > 10 118 Y 0.58927045921507 0.00000000000000 0.97488125946151 88.906 > 10 119 Y 0.58927045921507 0.33333333333333 0.97488125946151 88.906 > 10 120 Y 0.58927045921507 0.66666666666667 0.97488125946151 88.906 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1737274 0.0000000 0.6485321 0.0000000 9.6935801 0.0000000 0.6485452 0.0000000 6.8191623 -------------------------- Born effective charges -------------------------- 1 Cl -0.9076386 0.0000000 0.0531306 0.0000000 -1.2039660 0.0000000 -0.0499753 0.0000000 -0.8325619 2 Cl -0.9076386 0.0000000 0.0531306 0.0000000 -1.2039660 0.0000000 -0.0499753 0.0000000 -0.8325619 3 Cl -1.8501513 0.0000000 0.2319552 0.0000000 -0.9928822 0.0000000 -0.1050571 0.0000000 -0.5865892 4 Cl -1.8501513 0.0000000 0.2319552 0.0000000 -0.9928822 0.0000000 -0.1050571 0.0000000 -0.5865892 5 Cl -0.6996385 0.0000000 -0.4927125 0.0000000 -1.2843947 0.0000000 -0.7450698 0.0000000 -2.3891698 6 Cl -0.6996385 0.0000000 -0.4927125 0.0000000 -1.2843947 0.0000000 -0.7450698 0.0000000 -2.3891698 7 Y 1.7110265 0.0000000 0.4365469 0.0000000 1.4712455 0.0000000 0.9633543 0.0000000 3.3025740 8 Y 1.7110265 0.0000000 0.4365469 0.0000000 1.4712455 0.0000000 0.9633543 0.0000000 3.3025740 9 Y 1.7464020 0.0000000 -0.2289202 0.0000000 2.0099974 0.0000000 -0.0632520 0.0000000 0.5057470 10 Y 1.7464020 0.0000000 -0.2289202 0.0000000 2.0099974 0.0000000 -0.0632520 0.0000000 0.5057470 ---------------------------------------------------------------------------- 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: 7014/7014 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1520 Number of blocks in projector: 1520 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1520, 1496), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (400, 391), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.393 Solver_block: 200 / 320 - Time: 2.332 Solver_block: 300 / 320 - Time: 2.324 Solver_block: 320 / 320 - Time: 0.560 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.648 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7014/7014 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1520 Number of blocks in projector: 1520 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1520, 1496), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (400, 391), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 06:28:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:28:32]------------------------- 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): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.517740627527462 -1.898863025000000 0.000000000000000 b 7.517740627527462 1.898863025000000 0.000000000000000 c -4.807837664014324 0.000000000000000 8.849276263394158 Atomic positions (fractional): 1 Cl 0.95310143288297 0.95310143288297 0.26466351080331 35.453 2 Cl 0.04689856711703 0.04689856711703 0.73533648919669 35.453 3 Cl 0.76953163351536 0.76953163351536 0.88104627450344 35.453 4 Cl 0.23046836648464 0.23046836648464 0.11895372549656 35.453 5 Cl 0.34216396574255 0.34216396574255 0.49272821125695 35.453 6 Cl 0.65783603425745 0.65783603425745 0.50727178874305 35.453 7 Y 0.13882152694562 0.13882152694562 0.29224143793011 88.906 8 Y 0.86117847305438 0.86117847305438 0.70775856206989 88.906 9 Y 0.41072954078493 0.41072954078493 0.05023748107699 88.906 10 Y 0.58927045921507 0.58927045921507 0.94976251892301 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.035481255054924 0.000000000000000 0.000000000000000 b 0.000000000000000 11.393178150000001 0.000000000000000 c -9.615675328028647 0.000000000000000 17.698552526788315 Atomic positions (fractional): 1 Cl 0.95310143288297 0.00000000000000 0.13233175540165 35.453 > 1 2 Cl 0.95310143288297 0.33333333333333 0.13233175540165 35.453 > 1 3 Cl 0.95310143288297 0.66666666666667 0.13233175540165 35.453 > 1 4 Cl 0.95310143288297 0.00000000000000 0.63233175540165 35.453 > 1 5 Cl 0.95310143288297 0.33333333333333 0.63233175540165 35.453 > 1 6 Cl 0.95310143288297 0.66666666666667 0.63233175540165 35.453 > 1 7 Cl 0.04689856711703 0.00000000000000 0.36766824459835 35.453 > 7 8 Cl 0.04689856711703 0.33333333333333 0.36766824459835 35.453 > 7 9 Cl 0.04689856711703 0.66666666666667 0.36766824459835 35.453 > 7 10 Cl 0.04689856711703 0.00000000000000 0.86766824459835 35.453 > 7 11 Cl 0.04689856711703 0.33333333333333 0.86766824459835 35.453 > 7 12 Cl 0.04689856711703 0.66666666666667 0.86766824459835 35.453 > 7 13 Cl 0.26953163351536 0.16666666666667 0.44052313725172 35.453 > 13 14 Cl 0.26953163351536 0.50000000000000 0.44052313725172 35.453 > 13 15 Cl 0.26953163351536 0.83333333333333 0.44052313725172 35.453 > 13 16 Cl 0.26953163351536 0.16666666666667 0.94052313725172 35.453 > 13 17 Cl 0.26953163351536 0.50000000000000 0.94052313725172 35.453 > 13 18 Cl 0.26953163351536 0.83333333333333 0.94052313725172 35.453 > 13 19 Cl 0.73046836648464 0.16666666666667 0.05947686274828 35.453 > 19 20 Cl 0.73046836648464 0.50000000000000 0.05947686274828 35.453 > 19 21 Cl 0.73046836648464 0.83333333333333 0.05947686274828 35.453 > 19 22 Cl 0.73046836648464 0.16666666666667 0.55947686274828 35.453 > 19 23 Cl 0.73046836648464 0.50000000000000 0.55947686274828 35.453 > 19 24 Cl 0.73046836648464 0.83333333333333 0.55947686274828 35.453 > 19 25 Cl 0.84216396574255 0.16666666666667 0.24636410562848 35.453 > 25 26 Cl 0.84216396574255 0.50000000000000 0.24636410562848 35.453 > 25 27 Cl 0.84216396574255 0.83333333333333 0.24636410562848 35.453 > 25 28 Cl 0.84216396574255 0.16666666666667 0.74636410562848 35.453 > 25 29 Cl 0.84216396574255 0.50000000000000 0.74636410562848 35.453 > 25 30 Cl 0.84216396574255 0.83333333333333 0.74636410562848 35.453 > 25 31 Cl 0.15783603425745 0.16666666666667 0.25363589437152 35.453 > 31 32 Cl 0.15783603425745 0.50000000000000 0.25363589437152 35.453 > 31 33 Cl 0.15783603425745 0.83333333333333 0.25363589437152 35.453 > 31 34 Cl 0.15783603425745 0.16666666666667 0.75363589437152 35.453 > 31 35 Cl 0.15783603425745 0.50000000000000 0.75363589437152 35.453 > 31 36 Cl 0.15783603425745 0.83333333333333 0.75363589437152 35.453 > 31 37 Cl 0.45310143288297 0.16666666666667 0.13233175540165 35.453 > 1 38 Cl 0.45310143288297 0.50000000000000 0.13233175540165 35.453 > 1 39 Cl 0.45310143288297 0.83333333333333 0.13233175540165 35.453 > 1 40 Cl 0.45310143288297 0.16666666666667 0.63233175540165 35.453 > 1 41 Cl 0.45310143288297 0.50000000000000 0.63233175540165 35.453 > 1 42 Cl 0.45310143288297 0.83333333333333 0.63233175540165 35.453 > 1 43 Cl 0.54689856711703 0.16666666666667 0.36766824459835 35.453 > 7 44 Cl 0.54689856711703 0.50000000000000 0.36766824459835 35.453 > 7 45 Cl 0.54689856711703 0.83333333333333 0.36766824459835 35.453 > 7 46 Cl 0.54689856711703 0.16666666666667 0.86766824459835 35.453 > 7 47 Cl 0.54689856711703 0.50000000000000 0.86766824459835 35.453 > 7 48 Cl 0.54689856711703 0.83333333333333 0.86766824459835 35.453 > 7 49 Cl 0.76953163351536 0.00000000000000 0.44052313725172 35.453 > 13 50 Cl 0.76953163351536 0.33333333333333 0.44052313725172 35.453 > 13 51 Cl 0.76953163351536 0.66666666666667 0.44052313725172 35.453 > 13 52 Cl 0.76953163351536 0.00000000000000 0.94052313725172 35.453 > 13 53 Cl 0.76953163351536 0.33333333333333 0.94052313725172 35.453 > 13 54 Cl 0.76953163351536 0.66666666666667 0.94052313725172 35.453 > 13 55 Cl 0.23046836648464 0.00000000000000 0.05947686274828 35.453 > 19 56 Cl 0.23046836648464 0.33333333333333 0.05947686274828 35.453 > 19 57 Cl 0.23046836648464 0.66666666666667 0.05947686274828 35.453 > 19 58 Cl 0.23046836648464 0.00000000000000 0.55947686274828 35.453 > 19 59 Cl 0.23046836648464 0.33333333333333 0.55947686274828 35.453 > 19 60 Cl 0.23046836648464 0.66666666666667 0.55947686274828 35.453 > 19 61 Cl 0.34216396574255 0.00000000000000 0.24636410562848 35.453 > 25 62 Cl 0.34216396574255 0.33333333333333 0.24636410562848 35.453 > 25 63 Cl 0.34216396574255 0.66666666666667 0.24636410562848 35.453 > 25 64 Cl 0.34216396574255 0.00000000000000 0.74636410562848 35.453 > 25 65 Cl 0.34216396574255 0.33333333333333 0.74636410562848 35.453 > 25 66 Cl 0.34216396574255 0.66666666666667 0.74636410562848 35.453 > 25 67 Cl 0.65783603425745 0.00000000000000 0.25363589437152 35.453 > 31 68 Cl 0.65783603425745 0.33333333333333 0.25363589437152 35.453 > 31 69 Cl 0.65783603425745 0.66666666666667 0.25363589437152 35.453 > 31 70 Cl 0.65783603425745 0.00000000000000 0.75363589437152 35.453 > 31 71 Cl 0.65783603425745 0.33333333333333 0.75363589437152 35.453 > 31 72 Cl 0.65783603425745 0.66666666666667 0.75363589437152 35.453 > 31 73 Y 0.13882152694562 0.00000000000000 0.14612071896506 88.906 > 73 74 Y 0.13882152694562 0.33333333333333 0.14612071896506 88.906 > 73 75 Y 0.13882152694562 0.66666666666667 0.14612071896506 88.906 > 73 76 Y 0.13882152694562 0.00000000000000 0.64612071896506 88.906 > 73 77 Y 0.13882152694562 0.33333333333333 0.64612071896506 88.906 > 73 78 Y 0.13882152694562 0.66666666666667 0.64612071896506 88.906 > 73 79 Y 0.86117847305438 0.00000000000000 0.35387928103494 88.906 > 79 80 Y 0.86117847305438 0.33333333333333 0.35387928103494 88.906 > 79 81 Y 0.86117847305438 0.66666666666667 0.35387928103494 88.906 > 79 82 Y 0.86117847305438 0.00000000000000 0.85387928103494 88.906 > 79 83 Y 0.86117847305438 0.33333333333333 0.85387928103494 88.906 > 79 84 Y 0.86117847305438 0.66666666666667 0.85387928103494 88.906 > 79 85 Y 0.91072954078493 0.16666666666667 0.02511874053849 88.906 > 85 86 Y 0.91072954078493 0.50000000000000 0.02511874053849 88.906 > 85 87 Y 0.91072954078493 0.83333333333333 0.02511874053849 88.906 > 85 88 Y 0.91072954078493 0.16666666666667 0.52511874053849 88.906 > 85 89 Y 0.91072954078493 0.50000000000000 0.52511874053849 88.906 > 85 90 Y 0.91072954078493 0.83333333333333 0.52511874053849 88.906 > 85 91 Y 0.08927045921507 0.16666666666667 0.47488125946151 88.906 > 91 92 Y 0.08927045921507 0.50000000000000 0.47488125946151 88.906 > 91 93 Y 0.08927045921507 0.83333333333333 0.47488125946151 88.906 > 91 94 Y 0.08927045921507 0.16666666666667 0.97488125946151 88.906 > 91 95 Y 0.08927045921507 0.50000000000000 0.97488125946151 88.906 > 91 96 Y 0.08927045921507 0.83333333333333 0.97488125946151 88.906 > 91 97 Y 0.63882152694562 0.16666666666667 0.14612071896506 88.906 > 73 98 Y 0.63882152694562 0.50000000000000 0.14612071896506 88.906 > 73 99 Y 0.63882152694562 0.83333333333333 0.14612071896506 88.906 > 73 100 Y 0.63882152694562 0.16666666666667 0.64612071896506 88.906 > 73 101 Y 0.63882152694562 0.50000000000000 0.64612071896506 88.906 > 73 102 Y 0.63882152694562 0.83333333333333 0.64612071896506 88.906 > 73 103 Y 0.36117847305438 0.16666666666667 0.35387928103494 88.906 > 79 104 Y 0.36117847305438 0.50000000000000 0.35387928103494 88.906 > 79 105 Y 0.36117847305438 0.83333333333333 0.35387928103494 88.906 > 79 106 Y 0.36117847305438 0.16666666666667 0.85387928103494 88.906 > 79 107 Y 0.36117847305438 0.50000000000000 0.85387928103494 88.906 > 79 108 Y 0.36117847305438 0.83333333333333 0.85387928103494 88.906 > 79 109 Y 0.41072954078493 0.00000000000000 0.02511874053849 88.906 > 85 110 Y 0.41072954078493 0.33333333333333 0.02511874053849 88.906 > 85 111 Y 0.41072954078493 0.66666666666667 0.02511874053849 88.906 > 85 112 Y 0.41072954078493 0.00000000000000 0.52511874053849 88.906 > 85 113 Y 0.41072954078493 0.33333333333333 0.52511874053849 88.906 > 85 114 Y 0.41072954078493 0.66666666666667 0.52511874053849 88.906 > 85 115 Y 0.58927045921507 0.00000000000000 0.47488125946151 88.906 > 91 116 Y 0.58927045921507 0.33333333333333 0.47488125946151 88.906 > 91 117 Y 0.58927045921507 0.66666666666667 0.47488125946151 88.906 > 91 118 Y 0.58927045921507 0.00000000000000 0.97488125946151 88.906 > 91 119 Y 0.58927045921507 0.33333333333333 0.97488125946151 88.906 > 91 120 Y 0.58927045921507 0.66666666666667 0.97488125946151 88.906 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1737274 0.0000000 0.6485321 0.0000000 9.6935801 0.0000000 0.6485452 0.0000000 6.8191623 -------------------------- Born effective charges -------------------------- 1 Cl -0.9076386 0.0000000 0.0531306 0.0000000 -1.2039660 0.0000000 -0.0499753 0.0000000 -0.8325619 2 Cl -0.9076386 0.0000000 0.0531306 0.0000000 -1.2039660 0.0000000 -0.0499753 0.0000000 -0.8325619 3 Cl -1.8501513 0.0000000 0.2319552 0.0000000 -0.9928822 0.0000000 -0.1050571 0.0000000 -0.5865892 4 Cl -1.8501513 0.0000000 0.2319552 0.0000000 -0.9928822 0.0000000 -0.1050571 0.0000000 -0.5865892 5 Cl -0.6996385 0.0000000 -0.4927125 0.0000000 -1.2843947 0.0000000 -0.7450698 0.0000000 -2.3891698 6 Cl -0.6996385 0.0000000 -0.4927125 0.0000000 -1.2843947 0.0000000 -0.7450698 0.0000000 -2.3891698 7 Y 1.7110265 0.0000000 0.4365469 0.0000000 1.4712455 0.0000000 0.9633543 0.0000000 3.3025740 8 Y 1.7110265 0.0000000 0.4365469 0.0000000 1.4712455 0.0000000 0.9633543 0.0000000 3.3025740 9 Y 1.7464020 0.0000000 -0.2289202 0.0000000 2.0099974 0.0000000 -0.0632520 0.0000000 0.5057470 10 Y 1.7464020 0.0000000 -0.2289202 0.0000000 2.0099974 0.0000000 -0.0632520 0.0000000 0.5057470 ---------------------------------------------------------------------------- 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 13, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 85, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 06:28:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:28:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.517740627527462 -1.898863025000000 0.000000000000000 b 7.517740627527462 1.898863025000000 0.000000000000000 c -4.807837664014324 0.000000000000000 8.849276263394158 Atomic positions (fractional): 1 Cl 0.95310143288297 0.95310143288297 0.26466351080331 35.453 2 Cl 0.04689856711703 0.04689856711703 0.73533648919669 35.453 3 Cl 0.76953163351536 0.76953163351536 0.88104627450344 35.453 4 Cl 0.23046836648464 0.23046836648464 0.11895372549656 35.453 5 Cl 0.34216396574255 0.34216396574255 0.49272821125695 35.453 6 Cl 0.65783603425745 0.65783603425745 0.50727178874305 35.453 7 Y 0.13882152694562 0.13882152694562 0.29224143793011 88.906 8 Y 0.86117847305438 0.86117847305438 0.70775856206989 88.906 9 Y 0.41072954078493 0.41072954078493 0.05023748107699 88.906 10 Y 0.58927045921507 0.58927045921507 0.94976251892301 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.035481255054924 0.000000000000000 0.000000000000000 b 0.000000000000000 11.393178150000001 0.000000000000000 c -9.615675328028647 0.000000000000000 17.698552526788315 Atomic positions (fractional): 1 Cl 0.95310143288297 0.00000000000000 0.13233175540165 35.453 > 1 2 Cl 0.95310143288297 0.33333333333333 0.13233175540165 35.453 > 1 3 Cl 0.95310143288297 0.66666666666667 0.13233175540165 35.453 > 1 4 Cl 0.95310143288297 0.00000000000000 0.63233175540165 35.453 > 1 5 Cl 0.95310143288297 0.33333333333333 0.63233175540165 35.453 > 1 6 Cl 0.95310143288297 0.66666666666667 0.63233175540165 35.453 > 1 7 Cl 0.04689856711703 0.00000000000000 0.36766824459835 35.453 > 7 8 Cl 0.04689856711703 0.33333333333333 0.36766824459835 35.453 > 7 9 Cl 0.04689856711703 0.66666666666667 0.36766824459835 35.453 > 7 10 Cl 0.04689856711703 0.00000000000000 0.86766824459835 35.453 > 7 11 Cl 0.04689856711703 0.33333333333333 0.86766824459835 35.453 > 7 12 Cl 0.04689856711703 0.66666666666667 0.86766824459835 35.453 > 7 13 Cl 0.26953163351536 0.16666666666667 0.44052313725172 35.453 > 13 14 Cl 0.26953163351536 0.50000000000000 0.44052313725172 35.453 > 13 15 Cl 0.26953163351536 0.83333333333333 0.44052313725172 35.453 > 13 16 Cl 0.26953163351536 0.16666666666667 0.94052313725172 35.453 > 13 17 Cl 0.26953163351536 0.50000000000000 0.94052313725172 35.453 > 13 18 Cl 0.26953163351536 0.83333333333333 0.94052313725172 35.453 > 13 19 Cl 0.73046836648464 0.16666666666667 0.05947686274828 35.453 > 19 20 Cl 0.73046836648464 0.50000000000000 0.05947686274828 35.453 > 19 21 Cl 0.73046836648464 0.83333333333333 0.05947686274828 35.453 > 19 22 Cl 0.73046836648464 0.16666666666667 0.55947686274828 35.453 > 19 23 Cl 0.73046836648464 0.50000000000000 0.55947686274828 35.453 > 19 24 Cl 0.73046836648464 0.83333333333333 0.55947686274828 35.453 > 19 25 Cl 0.84216396574255 0.16666666666667 0.24636410562848 35.453 > 25 26 Cl 0.84216396574255 0.50000000000000 0.24636410562848 35.453 > 25 27 Cl 0.84216396574255 0.83333333333333 0.24636410562848 35.453 > 25 28 Cl 0.84216396574255 0.16666666666667 0.74636410562848 35.453 > 25 29 Cl 0.84216396574255 0.50000000000000 0.74636410562848 35.453 > 25 30 Cl 0.84216396574255 0.83333333333333 0.74636410562848 35.453 > 25 31 Cl 0.15783603425745 0.16666666666667 0.25363589437152 35.453 > 31 32 Cl 0.15783603425745 0.50000000000000 0.25363589437152 35.453 > 31 33 Cl 0.15783603425745 0.83333333333333 0.25363589437152 35.453 > 31 34 Cl 0.15783603425745 0.16666666666667 0.75363589437152 35.453 > 31 35 Cl 0.15783603425745 0.50000000000000 0.75363589437152 35.453 > 31 36 Cl 0.15783603425745 0.83333333333333 0.75363589437152 35.453 > 31 37 Cl 0.45310143288297 0.16666666666667 0.13233175540165 35.453 > 1 38 Cl 0.45310143288297 0.50000000000000 0.13233175540165 35.453 > 1 39 Cl 0.45310143288297 0.83333333333333 0.13233175540165 35.453 > 1 40 Cl 0.45310143288297 0.16666666666667 0.63233175540165 35.453 > 1 41 Cl 0.45310143288297 0.50000000000000 0.63233175540165 35.453 > 1 42 Cl 0.45310143288297 0.83333333333333 0.63233175540165 35.453 > 1 43 Cl 0.54689856711703 0.16666666666667 0.36766824459835 35.453 > 7 44 Cl 0.54689856711703 0.50000000000000 0.36766824459835 35.453 > 7 45 Cl 0.54689856711703 0.83333333333333 0.36766824459835 35.453 > 7 46 Cl 0.54689856711703 0.16666666666667 0.86766824459835 35.453 > 7 47 Cl 0.54689856711703 0.50000000000000 0.86766824459835 35.453 > 7 48 Cl 0.54689856711703 0.83333333333333 0.86766824459835 35.453 > 7 49 Cl 0.76953163351536 0.00000000000000 0.44052313725172 35.453 > 13 50 Cl 0.76953163351536 0.33333333333333 0.44052313725172 35.453 > 13 51 Cl 0.76953163351536 0.66666666666667 0.44052313725172 35.453 > 13 52 Cl 0.76953163351536 0.00000000000000 0.94052313725172 35.453 > 13 53 Cl 0.76953163351536 0.33333333333333 0.94052313725172 35.453 > 13 54 Cl 0.76953163351536 0.66666666666667 0.94052313725172 35.453 > 13 55 Cl 0.23046836648464 0.00000000000000 0.05947686274828 35.453 > 19 56 Cl 0.23046836648464 0.33333333333333 0.05947686274828 35.453 > 19 57 Cl 0.23046836648464 0.66666666666667 0.05947686274828 35.453 > 19 58 Cl 0.23046836648464 0.00000000000000 0.55947686274828 35.453 > 19 59 Cl 0.23046836648464 0.33333333333333 0.55947686274828 35.453 > 19 60 Cl 0.23046836648464 0.66666666666667 0.55947686274828 35.453 > 19 61 Cl 0.34216396574255 0.00000000000000 0.24636410562848 35.453 > 25 62 Cl 0.34216396574255 0.33333333333333 0.24636410562848 35.453 > 25 63 Cl 0.34216396574255 0.66666666666667 0.24636410562848 35.453 > 25 64 Cl 0.34216396574255 0.00000000000000 0.74636410562848 35.453 > 25 65 Cl 0.34216396574255 0.33333333333333 0.74636410562848 35.453 > 25 66 Cl 0.34216396574255 0.66666666666667 0.74636410562848 35.453 > 25 67 Cl 0.65783603425745 0.00000000000000 0.25363589437152 35.453 > 31 68 Cl 0.65783603425745 0.33333333333333 0.25363589437152 35.453 > 31 69 Cl 0.65783603425745 0.66666666666667 0.25363589437152 35.453 > 31 70 Cl 0.65783603425745 0.00000000000000 0.75363589437152 35.453 > 31 71 Cl 0.65783603425745 0.33333333333333 0.75363589437152 35.453 > 31 72 Cl 0.65783603425745 0.66666666666667 0.75363589437152 35.453 > 31 73 Y 0.13882152694562 0.00000000000000 0.14612071896506 88.906 > 73 74 Y 0.13882152694562 0.33333333333333 0.14612071896506 88.906 > 73 75 Y 0.13882152694562 0.66666666666667 0.14612071896506 88.906 > 73 76 Y 0.13882152694562 0.00000000000000 0.64612071896506 88.906 > 73 77 Y 0.13882152694562 0.33333333333333 0.64612071896506 88.906 > 73 78 Y 0.13882152694562 0.66666666666667 0.64612071896506 88.906 > 73 79 Y 0.86117847305438 0.00000000000000 0.35387928103494 88.906 > 79 80 Y 0.86117847305438 0.33333333333333 0.35387928103494 88.906 > 79 81 Y 0.86117847305438 0.66666666666667 0.35387928103494 88.906 > 79 82 Y 0.86117847305438 0.00000000000000 0.85387928103494 88.906 > 79 83 Y 0.86117847305438 0.33333333333333 0.85387928103494 88.906 > 79 84 Y 0.86117847305438 0.66666666666667 0.85387928103494 88.906 > 79 85 Y 0.91072954078493 0.16666666666667 0.02511874053849 88.906 > 85 86 Y 0.91072954078493 0.50000000000000 0.02511874053849 88.906 > 85 87 Y 0.91072954078493 0.83333333333333 0.02511874053849 88.906 > 85 88 Y 0.91072954078493 0.16666666666667 0.52511874053849 88.906 > 85 89 Y 0.91072954078493 0.50000000000000 0.52511874053849 88.906 > 85 90 Y 0.91072954078493 0.83333333333333 0.52511874053849 88.906 > 85 91 Y 0.08927045921507 0.16666666666667 0.47488125946151 88.906 > 91 92 Y 0.08927045921507 0.50000000000000 0.47488125946151 88.906 > 91 93 Y 0.08927045921507 0.83333333333333 0.47488125946151 88.906 > 91 94 Y 0.08927045921507 0.16666666666667 0.97488125946151 88.906 > 91 95 Y 0.08927045921507 0.50000000000000 0.97488125946151 88.906 > 91 96 Y 0.08927045921507 0.83333333333333 0.97488125946151 88.906 > 91 97 Y 0.63882152694562 0.16666666666667 0.14612071896506 88.906 > 73 98 Y 0.63882152694562 0.50000000000000 0.14612071896506 88.906 > 73 99 Y 0.63882152694562 0.83333333333333 0.14612071896506 88.906 > 73 100 Y 0.63882152694562 0.16666666666667 0.64612071896506 88.906 > 73 101 Y 0.63882152694562 0.50000000000000 0.64612071896506 88.906 > 73 102 Y 0.63882152694562 0.83333333333333 0.64612071896506 88.906 > 73 103 Y 0.36117847305438 0.16666666666667 0.35387928103494 88.906 > 79 104 Y 0.36117847305438 0.50000000000000 0.35387928103494 88.906 > 79 105 Y 0.36117847305438 0.83333333333333 0.35387928103494 88.906 > 79 106 Y 0.36117847305438 0.16666666666667 0.85387928103494 88.906 > 79 107 Y 0.36117847305438 0.50000000000000 0.85387928103494 88.906 > 79 108 Y 0.36117847305438 0.83333333333333 0.85387928103494 88.906 > 79 109 Y 0.41072954078493 0.00000000000000 0.02511874053849 88.906 > 85 110 Y 0.41072954078493 0.33333333333333 0.02511874053849 88.906 > 85 111 Y 0.41072954078493 0.66666666666667 0.02511874053849 88.906 > 85 112 Y 0.41072954078493 0.00000000000000 0.52511874053849 88.906 > 85 113 Y 0.41072954078493 0.33333333333333 0.52511874053849 88.906 > 85 114 Y 0.41072954078493 0.66666666666667 0.52511874053849 88.906 > 85 115 Y 0.58927045921507 0.00000000000000 0.47488125946151 88.906 > 91 116 Y 0.58927045921507 0.33333333333333 0.47488125946151 88.906 > 91 117 Y 0.58927045921507 0.66666666666667 0.47488125946151 88.906 > 91 118 Y 0.58927045921507 0.00000000000000 0.97488125946151 88.906 > 91 119 Y 0.58927045921507 0.33333333333333 0.97488125946151 88.906 > 91 120 Y 0.58927045921507 0.66666666666667 0.97488125946151 88.906 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1737274 0.0000000 0.6485321 0.0000000 9.6935801 0.0000000 0.6485452 0.0000000 6.8191623 -------------------------- Born effective charges -------------------------- 1 Cl -0.9076386 0.0000000 0.0531306 0.0000000 -1.2039660 0.0000000 -0.0499753 0.0000000 -0.8325619 2 Cl -0.9076386 0.0000000 0.0531306 0.0000000 -1.2039660 0.0000000 -0.0499753 0.0000000 -0.8325619 3 Cl -1.8501513 0.0000000 0.2319552 0.0000000 -0.9928822 0.0000000 -0.1050571 0.0000000 -0.5865892 4 Cl -1.8501513 0.0000000 0.2319552 0.0000000 -0.9928822 0.0000000 -0.1050571 0.0000000 -0.5865892 5 Cl -0.6996385 0.0000000 -0.4927125 0.0000000 -1.2843947 0.0000000 -0.7450698 0.0000000 -2.3891698 6 Cl -0.6996385 0.0000000 -0.4927125 0.0000000 -1.2843947 0.0000000 -0.7450698 0.0000000 -2.3891698 7 Y 1.7110265 0.0000000 0.4365469 0.0000000 1.4712455 0.0000000 0.9633543 0.0000000 3.3025740 8 Y 1.7110265 0.0000000 0.4365469 0.0000000 1.4712455 0.0000000 0.9633543 0.0000000 3.3025740 9 Y 1.7464020 0.0000000 -0.2289202 0.0000000 2.0099974 0.0000000 -0.0632520 0.0000000 0.5057470 10 Y 1.7464020 0.0000000 -0.2289202 0.0000000 2.0099974 0.0000000 -0.0632520 0.0000000 0.5057470 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 14 14 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: 0.66, Number of G-points: 293, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/324) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 4.986 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.985 ( 0.000 0.000 0.000) 0.000 6.129 ( 0.000 0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.207 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 7.800 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/324) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 6.170 -15.229 8.218) 18.372 0.503 ( 2.645 -25.619 3.752) 26.027 0.889 ( 9.133 -43.207 6.780) 44.679 2.537 ( -5.875 -4.727 -4.607) 8.837 2.713 ( -6.925 -2.508 -12.374) 14.400 2.807 ( 3.810 -1.466 -1.966) 4.532 2.921 ( 0.792 -10.696 6.077) 12.327 3.035 ( 6.141 -1.414 9.336) 11.264 3.163 ( 0.595 -3.058 1.766) 3.581 3.733 ( -7.088 -0.436 -9.282) 11.687 3.839 ( 5.912 0.724 7.257) 9.388 4.501 ( -0.877 0.795 -0.420) 1.256 4.573 ( -3.598 -6.404 -4.338) 8.531 4.658 ( 0.173 1.938 -0.200) 1.956 4.981 ( -0.420 0.130 -2.047) 2.094 5.016 ( 0.259 0.689 1.125) 1.345 5.187 ( -0.359 -6.005 0.375) 6.027 5.488 ( 1.050 -2.136 -2.600) 3.525 5.595 ( 2.045 1.675 8.045) 8.468 5.991 ( 0.397 -0.364 2.054) 2.123 6.171 ( -0.304 0.258 -2.265) 2.299 6.329 ( -9.662 0.816 -6.703) 11.788 6.462 ( -0.459 -3.397 3.012) 4.563 6.552 ( 9.179 4.518 16.505) 19.419 6.796 ( 2.197 1.263 -0.517) 2.586 6.866 ( -0.888 2.207 0.208) 2.388 7.012 ( -6.751 2.116 -1.568) 7.247 7.236 ( 9.706 0.129 -0.911) 9.750 7.611 ( 1.873 3.738 -0.270) 4.190 7.776 ( 1.591 3.144 1.424) 3.801 ======================= Grid point 2 (3/324) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 4.431 -20.219 4.875) 21.265 1.008 ( 0.808 -26.303 2.620) 26.446 1.730 ( 8.784 -39.357 6.530) 40.851 2.554 ( -8.324 -3.024 -11.214) 14.289 2.730 ( -6.240 -5.283 -9.034) 12.185 2.883 ( 5.022 -3.781 5.077) 8.080 3.114 ( 4.434 -3.849 7.978) 9.905 3.172 ( -1.781 -8.833 -3.987) 9.854 3.273 ( 2.101 -9.599 7.584) 12.412 3.709 ( -5.776 -3.367 -7.615) 10.134 3.892 ( 4.044 -2.583 4.782) 6.775 4.477 ( 0.080 1.143 -0.666) 1.325 4.605 ( -0.622 2.910 -0.478) 3.014 4.683 ( -2.431 -6.669 -4.326) 8.313 4.950 ( -0.081 1.754 -0.900) 1.973 5.044 ( 1.135 -2.195 3.743) 4.486 5.326 ( -0.641 -8.471 1.652) 8.654 5.524 ( 3.060 -1.269 -9.097) 9.682 5.606 ( 0.054 -0.447 10.110) 10.120 6.018 ( -0.012 -1.559 3.068) 3.442 6.151 ( -0.220 1.445 -0.296) 1.491 6.240 ( -7.510 1.732 -9.428) 12.177 6.520 ( 7.551 2.575 10.761) 13.396 6.553 ( -3.658 -2.219 -1.465) 4.522 6.767 ( 1.233 2.754 -2.080) 3.665 6.810 ( -0.494 2.853 1.331) 3.187 6.936 ( -6.866 2.000 2.029) 7.433 7.256 ( 4.506 1.972 -1.015) 5.022 7.548 ( 4.499 3.237 -0.985) 5.629 7.708 ( 2.397 5.308 2.225) 6.235 ======================= Grid point 3 (4/324) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 2.520 -20.871 3.030) 21.240 1.509 ( -0.695 -26.363 0.726) 26.382 2.437 ( 3.669 -24.115 -0.402) 24.396 2.573 ( -1.772 -11.002 -4.797) 12.133 2.788 ( -3.239 -5.344 -5.829) 8.545 2.992 ( 3.145 -3.494 7.840) 9.142 3.190 ( -0.459 -2.373 -3.367) 4.144 3.301 ( -0.189 -8.942 -0.182) 8.946 3.499 ( 2.056 -6.902 9.871) 12.219 3.791 ( -3.901 -9.871 -6.219) 12.302 4.008 ( 2.403 -6.920 2.951) 7.897 4.460 ( 0.647 0.699 -0.354) 1.017 4.551 ( -0.310 1.853 -1.251) 2.257 4.732 ( -2.308 -0.150 -3.477) 4.177 4.959 ( 0.632 -2.918 1.736) 3.454 5.115 ( 0.860 -3.733 3.671) 5.306 5.497 ( -1.427 -8.913 2.376) 9.334 5.508 ( 2.938 1.432 -6.912) 7.646 5.661 ( 0.102 -2.724 5.122) 5.803 6.019 ( -6.632 2.414 1.291) 7.175 6.139 ( 1.262 -1.203 0.983) 2.002 6.169 ( -1.301 0.398 -9.241) 9.341 6.488 ( 4.572 4.808 6.508) 9.294 6.560 ( -4.385 1.140 -5.380) 7.034 6.713 ( 0.760 1.943 -1.251) 2.433 6.766 ( -1.879 1.585 2.731) 3.675 6.897 ( 0.999 1.816 4.562) 5.011 7.186 ( -6.854 3.712 -0.823) 7.838 7.553 ( 10.215 0.039 -1.913) 10.393 7.619 ( 2.290 5.659 2.640) 6.651 ======================= Grid point 4 (5/324) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.367 -18.256 2.302) 18.404 1.989 ( -1.103 -24.915 -1.769) 25.002 2.538 ( -3.226 -3.470 -5.583) 7.323 2.846 ( 0.705 -5.027 -8.267) 9.701 2.971 ( 4.006 -7.664 3.865) 9.472 3.131 ( -0.687 -8.107 1.098) 8.210 3.257 ( 0.465 -11.816 0.608) 11.841 3.492 ( 1.342 -9.533 2.807) 10.028 3.596 ( 0.981 -1.788 9.995) 10.201 3.962 ( -3.251 -10.098 -5.257) 11.839 4.167 ( 1.718 -7.475 1.390) 7.795 4.452 ( 0.710 0.669 0.570) 1.130 4.549 ( 1.204 -2.267 -1.081) 2.785 4.685 ( -0.600 2.959 1.003) 3.181 5.035 ( -0.970 -4.086 0.152) 4.203 5.212 ( 1.740 -4.760 3.592) 6.212 5.453 ( -0.024 3.112 -3.804) 4.915 5.658 ( -1.923 -6.795 2.112) 7.371 5.727 ( 0.935 -3.748 -1.563) 4.167 5.919 ( -7.507 2.683 0.429) 7.984 6.103 ( 1.753 2.933 -7.215) 7.983 6.230 ( 0.605 -4.530 1.242) 4.736 6.414 ( -2.173 4.967 -4.205) 6.861 6.475 ( 2.187 4.141 3.780) 6.018 6.633 ( -0.745 6.245 -2.701) 6.845 6.795 ( -0.290 -3.158 4.386) 5.413 6.864 ( 3.527 4.646 3.044) 6.579 7.109 ( -10.734 -1.122 0.423) 10.801 7.531 ( 2.505 4.573 1.400) 5.399 7.615 ( 9.409 -1.045 -1.574) 9.597 ======================= Grid point 5 (6/324) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -1.568 -13.043 1.744) 13.252 2.400 ( 0.625 -17.818 -3.489) 18.168 2.606 ( -2.069 -7.723 -1.125) 8.074 2.902 ( 0.962 -2.383 -6.316) 6.818 3.054 ( 2.791 -2.319 -0.895) 3.737 3.167 ( -3.771 -1.298 -5.017) 6.409 3.548 ( 1.961 -3.104 6.194) 7.200 3.610 ( 3.589 -7.517 10.860) 13.687 3.743 ( -1.073 -11.194 0.720) 11.268 4.078 ( -2.929 -4.332 -2.913) 5.986 4.306 ( 0.661 -7.178 0.218) 7.212 4.443 ( 0.643 0.904 0.924) 1.444 4.625 ( 2.924 -2.110 2.058) 4.152 4.651 ( 0.762 -0.853 1.243) 1.689 5.101 ( -1.115 -3.639 0.133) 3.808 5.310 ( 2.330 -3.302 2.239) 4.620 5.372 ( -2.439 4.153 -1.182) 4.960 5.704 ( -3.440 -0.958 -5.647) 6.681 5.787 ( -1.248 -2.659 -3.265) 4.392 5.927 ( -1.108 -4.538 5.571) 7.270 6.032 ( 0.399 2.929 -6.536) 7.173 6.245 ( -2.147 4.023 -0.508) 4.589 6.356 ( 0.821 -2.152 -0.713) 2.411 6.434 ( 1.588 4.585 0.843) 4.925 6.485 ( 1.694 6.835 -0.011) 7.042 6.788 ( -2.148 3.515 1.017) 4.243 6.872 ( 0.516 -3.602 3.116) 4.790 7.110 ( -5.798 -1.820 1.450) 6.248 7.481 ( 0.765 1.835 1.410) 2.437 7.669 ( 7.630 -0.628 -2.230) 7.974 ======================= Grid point 6 (7/324) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -1.933 -6.162 0.857) 6.515 2.587 ( 3.088 -4.258 1.317) 5.422 2.838 ( -3.732 -13.859 -4.222) 14.960 2.917 ( 0.830 -1.795 -4.802) 5.193 3.105 ( 3.741 -1.731 -1.067) 4.258 3.153 ( -4.547 -0.884 -4.321) 6.335 3.502 ( 2.630 7.234 10.359) 12.906 3.809 ( 1.286 -7.392 2.412) 7.881 3.923 ( 0.013 -7.234 0.287) 7.239 4.087 ( -2.433 0.679 -1.732) 3.063 4.420 ( 0.887 -0.363 0.482) 1.073 4.447 ( -1.836 -4.517 0.972) 4.972 4.632 ( 0.648 0.658 3.585) 3.702 4.743 ( 4.408 -4.632 -0.262) 6.400 5.159 ( 0.081 -2.245 1.083) 2.494 5.267 ( -3.289 4.820 -0.761) 5.884 5.367 ( 1.238 -1.558 -0.272) 2.009 5.694 ( -0.979 -0.807 -3.410) 3.639 5.811 ( -1.980 -1.537 -4.322) 4.996 5.980 ( -2.651 0.566 -2.252) 3.525 6.012 ( 1.525 -2.351 2.681) 3.878 6.191 ( 1.706 1.768 2.494) 3.501 6.282 ( -0.840 6.477 -1.910) 6.805 6.382 ( 0.372 1.021 -0.345) 1.140 6.459 ( 1.689 -0.304 0.395) 1.761 6.730 ( -2.642 1.509 0.452) 3.076 6.946 ( 0.741 -3.096 1.868) 3.691 7.105 ( -2.416 0.662 0.746) 2.614 7.475 ( -0.343 -0.390 1.155) 1.266 7.698 ( 4.382 -0.065 -1.742) 4.715 ======================= Grid point 7 (8/324) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 0.000 -0.000 -0.000) 0.000 2.641 ( 0.000 0.000 -0.000) 0.000 2.889 ( 0.000 -0.000 0.000) 0.000 3.009 ( 0.000 -0.000 -0.000) 0.000 3.127 ( 0.000 -0.000 -0.000) 0.000 3.159 ( 0.000 -0.000 0.000) 0.000 3.424 ( 0.000 -0.000 0.000) 0.000 3.893 ( 0.000 -0.000 0.000) 0.000 3.999 ( -0.000 0.000 -0.000) 0.000 4.057 ( 0.000 -0.000 0.000) 0.000 4.417 ( 0.000 -0.000 0.000) 0.000 4.495 ( 0.000 -0.000 -0.000) 0.000 4.631 ( 0.000 -0.000 -0.000) 0.000 4.814 ( 0.000 -0.000 0.000) 0.000 5.184 ( 0.000 0.000 -0.000) 0.000 5.196 ( 0.000 -0.000 0.000) 0.000 5.384 ( 0.000 -0.000 0.000) 0.000 5.698 ( 0.000 -0.000 0.000) 0.000 5.810 ( 0.000 -0.000 0.000) 0.000 5.965 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 -0.000 -0.000) 0.000 6.101 ( 0.000 0.000 0.000) 0.000 6.271 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 -0.000 0.000) 0.000 6.471 ( 0.000 -0.000 -0.000) 0.000 6.710 ( 0.000 -0.000 0.000) 0.000 6.987 ( 0.000 -0.000 -0.000) 0.000 7.085 ( 0.000 -0.000 0.000) 0.000 7.482 ( 0.000 -0.000 0.000) 0.000 7.706 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 16 (9/324) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.235 ( 18.258 0.000 11.804) 21.741 0.291 ( 23.111 0.000 13.537) 26.784 0.444 ( 28.083 0.000 33.704) 43.870 2.435 ( -8.632 -0.000 -6.271) 10.670 2.617 ( -9.623 -0.000 -19.312) 21.577 2.748 ( 0.097 0.000 -8.460) 8.460 2.885 ( 5.217 0.000 12.512) 13.556 3.136 ( 3.135 0.000 -0.049) 3.136 3.164 ( 7.891 0.000 7.585) 10.945 3.678 ( -8.348 -0.000 -12.035) 14.647 3.941 ( 2.582 0.000 9.433) 9.780 4.281 ( 0.046 0.000 0.301) 0.304 4.520 ( -0.115 -0.000 -1.139) 1.145 4.678 ( 0.131 0.000 0.443) 0.462 4.977 ( -0.811 -0.000 -0.459) 0.932 4.989 ( 0.714 0.000 -0.637) 0.957 5.124 ( 0.931 0.000 -2.583) 2.746 5.466 ( 0.990 0.000 -2.297) 2.501 5.732 ( -5.589 -0.000 13.758) 14.850 6.001 ( 0.959 0.000 3.847) 3.964 6.131 ( 0.369 0.000 0.013) 0.370 6.297 ( -7.865 -0.000 5.521) 9.610 6.397 ( -0.375 -0.000 0.143) 0.401 6.796 ( -8.962 -0.000 14.596) 17.127 6.875 ( -5.072 -0.000 5.711) 7.638 6.878 ( -15.585 -0.000 21.243) 26.347 7.145 ( -5.906 -0.000 2.582) 6.446 7.319 ( 14.401 0.000 -8.117) 16.531 7.821 ( 2.114 0.000 3.722) 4.281 7.838 ( 3.166 0.000 -8.368) 8.946 ======================= Grid point 17 (10/324) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 11.898 -9.982 10.804) 18.919 0.617 ( 11.887 -17.505 13.645) 25.178 1.091 ( 18.547 -35.544 15.728) 43.066 2.417 ( -10.094 -3.439 -9.742) 14.444 2.543 ( -10.376 -4.900 -17.500) 20.927 2.813 ( 0.732 -6.859 -6.279) 9.328 2.983 ( 3.343 -5.617 10.015) 11.959 3.157 ( 5.214 -0.591 8.704) 10.163 3.202 ( 3.764 -0.997 8.519) 9.366 3.606 ( -7.937 -1.359 -11.759) 14.251 3.922 ( 4.325 1.674 5.553) 7.235 4.470 ( -4.157 -6.279 -2.325) 7.881 4.518 ( -1.052 -3.089 -4.225) 5.338 4.658 ( 0.076 2.174 -0.157) 2.181 4.973 ( 0.500 1.323 -1.168) 1.834 5.016 ( -0.742 -2.573 -0.575) 2.739 5.184 ( -0.939 -6.156 0.957) 6.300 5.485 ( 2.306 -1.938 -4.686) 5.571 5.671 ( 2.086 3.999 10.627) 11.545 6.017 ( 0.557 -0.098 5.573) 5.602 6.150 ( -0.093 -0.813 -4.137) 4.217 6.234 ( -7.051 2.879 -0.894) 7.668 6.441 ( -2.696 -3.790 -1.677) 4.944 6.710 ( -0.979 7.373 22.047) 23.268 6.824 ( 3.259 3.129 -1.767) 4.852 6.843 ( -6.669 0.971 2.154) 7.075 6.952 ( 0.678 5.531 -2.277) 6.019 7.336 ( 10.263 2.263 -1.817) 10.666 7.645 ( 6.160 6.103 -1.610) 8.820 7.815 ( 3.546 3.377 3.931) 6.279 ======================= Grid point 18 (11/324) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 7.238 -16.727 6.932) 19.500 1.063 ( 5.759 -21.961 8.049) 24.089 1.881 ( 12.826 -35.606 10.021) 39.150 2.403 ( -9.235 -4.382 -13.684) 17.080 2.611 ( -7.338 -8.858 -10.524) 15.590 2.933 ( 1.068 -6.198 0.851) 6.347 3.130 ( -1.678 -5.280 -1.114) 5.651 3.215 ( 4.358 0.067 9.614) 10.556 3.332 ( 2.320 -11.157 5.840) 12.805 3.617 ( -5.070 -5.655 -6.751) 10.162 3.947 ( 2.937 -1.593 3.628) 4.932 4.475 ( 0.356 0.744 -1.104) 1.378 4.591 ( -1.357 1.253 -1.808) 2.585 4.635 ( -2.172 -5.038 -4.342) 6.997 4.953 ( 0.821 0.506 0.816) 1.264 5.065 ( -0.197 -2.848 1.810) 3.380 5.328 ( -1.458 -8.762 2.871) 9.335 5.518 ( 5.169 -0.871 -8.699) 10.157 5.659 ( 0.136 0.865 9.593) 9.633 6.031 ( -2.787 0.570 5.030) 5.778 6.141 ( -2.992 0.677 -7.859) 8.436 6.147 ( -0.918 1.445 0.499) 1.783 6.476 ( -6.116 -2.451 -4.781) 8.141 6.653 ( 5.218 5.231 10.825) 13.106 6.767 ( 2.331 3.387 -3.992) 5.730 6.797 ( -4.989 1.653 3.963) 6.582 6.896 ( -3.105 0.047 2.406) 3.929 7.282 ( 1.662 6.419 -1.185) 6.736 7.606 ( 9.073 1.569 -2.527) 9.549 7.755 ( 3.620 5.803 4.289) 8.073 ======================= Grid point 19 (12/324) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 3.864 -18.651 4.579) 19.590 1.529 ( 2.764 -23.497 3.909) 23.980 2.394 ( -4.591 -7.914 -10.526) 13.947 2.608 ( 7.029 -25.633 1.641) 26.630 2.724 ( -3.383 -9.467 -4.217) 10.902 3.049 ( 0.432 -4.116 6.496) 7.702 3.162 ( -2.008 -1.483 -3.610) 4.389 3.296 ( -0.224 -7.125 1.063) 7.207 3.580 ( 3.269 -8.451 9.432) 13.079 3.724 ( -3.040 -9.621 -5.212) 11.357 4.040 ( 1.494 -6.327 2.115) 6.836 4.466 ( 1.001 0.297 -0.528) 1.170 4.544 ( 0.423 1.474 -1.018) 1.840 4.689 ( -2.477 -2.020 -3.689) 4.881 4.979 ( 1.153 -2.039 2.614) 3.510 5.135 ( -0.278 -4.366 2.743) 5.163 5.479 ( -0.951 -3.473 -1.498) 3.900 5.532 ( 4.998 -3.326 -1.773) 6.260 5.679 ( -1.488 -1.273 3.981) 4.436 5.952 ( -7.943 4.296 0.609) 9.051 6.124 ( 1.322 0.861 -7.046) 7.221 6.159 ( 0.179 -3.402 2.088) 3.996 6.437 ( -7.415 1.281 -6.848) 10.174 6.596 ( 4.083 5.531 5.129) 8.577 6.703 ( 0.721 3.495 -3.366) 4.906 6.774 ( -1.089 -0.310 5.377) 5.495 6.924 ( -0.589 -2.141 4.856) 5.340 7.125 ( -4.547 8.213 -1.270) 9.473 7.637 ( 9.661 0.231 -3.037) 10.129 7.665 ( 3.679 5.903 4.023) 8.036 ======================= Grid point 20 (13/324) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 1.269 -16.520 3.785) 16.995 1.984 ( 1.598 -23.066 -0.214) 23.122 2.476 ( -3.642 -6.531 -6.168) 9.694 2.805 ( 1.089 -6.252 -10.319) 12.114 3.009 ( 0.765 -5.340 0.725) 5.443 3.119 ( -2.394 -1.310 1.698) 3.214 3.290 ( 2.621 -16.560 5.253) 17.570 3.483 ( -1.960 -12.672 -1.525) 12.914 3.693 ( 4.554 0.167 13.574) 14.318 3.904 ( -2.875 -10.851 -5.789) 12.630 4.183 ( 0.417 -6.963 0.410) 6.987 4.465 ( 1.217 0.519 0.958) 1.634 4.562 ( 2.244 -3.188 -0.142) 3.901 4.683 ( -0.565 0.889 0.877) 1.371 5.035 ( 0.149 -2.857 1.305) 3.144 5.239 ( 0.192 -5.407 2.660) 6.028 5.441 ( 1.738 3.825 -3.419) 5.417 5.643 ( -3.309 -3.158 1.414) 4.788 5.724 ( 0.939 -3.604 -3.160) 4.884 5.861 ( -6.206 0.057 2.422) 6.662 6.080 ( 1.359 2.658 -7.063) 7.668 6.240 ( -0.196 -3.618 1.416) 3.890 6.345 ( -5.414 2.488 -6.191) 8.592 6.527 ( 3.241 4.481 3.688) 6.647 6.615 ( -0.271 5.376 -2.571) 5.965 6.813 ( -1.511 -1.608 4.848) 5.327 6.906 ( 2.093 6.877 1.925) 7.442 7.029 ( -6.102 -3.362 1.651) 7.160 7.566 ( 2.399 5.549 3.010) 6.753 7.690 ( 8.493 -0.541 -3.044) 9.038 ======================= Grid point 21 (14/324) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.675 -11.682 2.784) 12.028 2.392 ( 1.676 -18.970 -3.544) 19.371 2.584 ( -1.665 -7.842 -0.702) 8.048 2.880 ( 1.598 -2.871 -6.525) 7.306 3.047 ( -1.695 -2.523 -6.294) 6.990 3.119 ( -2.500 -0.422 0.602) 2.606 3.593 ( 2.178 -8.713 5.004) 10.281 3.698 ( 2.846 -5.071 5.294) 7.864 3.745 ( 0.170 -6.849 6.809) 9.659 4.036 ( -2.382 -5.060 -3.769) 6.744 4.303 ( -1.232 -6.809 -0.319) 6.927 4.459 ( 1.253 1.198 1.857) 2.540 4.661 ( 1.097 -2.619 -0.081) 2.840 4.675 ( 3.599 -1.580 4.744) 6.161 5.101 ( 0.509 -3.824 0.922) 3.967 5.325 ( -0.714 -2.056 -0.180) 2.184 5.356 ( 0.426 4.331 -0.524) 4.383 5.646 ( -2.792 -1.267 -4.857) 5.744 5.746 ( -4.088 -1.883 -2.850) 5.328 5.946 ( -0.385 -6.217 4.600) 7.743 6.005 ( 0.971 3.373 -6.353) 7.258 6.223 ( -1.799 2.788 -0.766) 3.405 6.345 ( -1.511 -3.454 -1.999) 4.268 6.447 ( 1.223 7.808 -0.669) 7.931 6.509 ( 2.266 3.934 1.625) 4.822 6.754 ( -5.137 3.260 0.328) 6.093 6.905 ( 2.257 -2.317 3.865) 5.040 7.079 ( -2.668 -2.406 1.800) 4.018 7.500 ( 1.180 2.911 2.367) 3.933 7.721 ( 6.192 0.176 -3.051) 6.905 ======================= Grid point 22 (15/324) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -1.093 -6.009 1.295) 6.243 2.622 ( 2.683 -4.680 1.684) 5.651 2.784 ( -2.581 -12.687 -4.831) 13.819 2.902 ( 1.055 -2.159 -4.459) 5.065 3.076 ( -5.158 -3.250 -5.415) 8.154 3.135 ( 1.855 -1.848 0.240) 2.629 3.586 ( 3.466 8.821 10.587) 14.209 3.837 ( 1.779 -6.217 2.361) 6.885 3.921 ( -0.387 -7.628 0.142) 7.639 4.056 ( -1.680 0.030 -2.849) 3.308 4.423 ( -1.345 -4.773 0.217) 4.963 4.445 ( 0.336 0.108 2.195) 2.223 4.653 ( 0.643 1.522 2.080) 2.656 4.786 ( 3.152 -3.749 2.135) 5.343 5.172 ( 1.425 -2.241 1.195) 2.912 5.240 ( -1.114 4.706 -0.876) 4.915 5.360 ( -0.294 -1.082 -3.785) 3.948 5.673 ( -1.558 -2.747 -0.064) 3.158 5.764 ( -3.515 -2.815 -3.575) 5.750 5.944 ( -1.173 -0.151 -3.677) 3.862 6.036 ( 0.407 -0.547 2.407) 2.501 6.215 ( 0.831 -2.850 1.431) 3.295 6.265 ( -0.351 8.885 -1.478) 9.014 6.388 ( 1.056 0.577 -0.518) 1.310 6.473 ( 0.420 1.341 0.820) 1.627 6.706 ( -2.337 0.156 -0.016) 2.342 6.968 ( 1.306 -2.139 2.274) 3.384 7.090 ( -1.485 0.230 0.762) 1.685 7.480 ( 0.075 0.302 1.476) 1.509 7.725 ( 3.309 1.066 -2.080) 4.052 ======================= Grid point 23 (16/324) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 0.478 -0.811 0.190) 0.960 2.640 ( -0.425 3.068 0.330) 3.115 2.882 ( -0.989 -2.996 -1.006) 3.311 3.007 ( 0.803 -3.947 -2.372) 4.674 3.085 ( -4.887 -1.264 -0.886) 5.125 3.197 ( 4.009 -1.581 0.644) 4.357 3.440 ( 1.086 7.185 3.906) 8.250 3.893 ( 0.103 1.795 0.169) 1.806 3.988 ( -1.386 0.299 -1.220) 1.870 4.067 ( 1.847 -2.521 -0.130) 3.127 4.421 ( 0.163 0.900 0.910) 1.290 4.500 ( 0.689 -0.936 0.415) 1.234 4.630 ( 0.274 1.178 -0.937) 1.530 4.801 ( -2.841 2.929 1.098) 4.225 5.188 ( 1.050 1.428 -0.620) 1.878 5.214 ( 3.133 -2.412 0.849) 4.044 5.364 ( -1.994 -0.740 -3.776) 4.334 5.700 ( -1.414 -0.552 3.327) 3.657 5.812 ( 0.139 -3.438 0.368) 3.461 5.967 ( -0.331 -1.027 1.401) 1.768 6.050 ( -2.608 -3.712 -5.099) 6.825 6.115 ( 1.079 5.873 0.152) 5.973 6.285 ( 1.395 -0.821 2.326) 2.834 6.356 ( 0.991 0.848 0.079) 1.307 6.464 ( -1.445 0.154 -0.100) 1.457 6.713 ( 0.835 -1.098 -0.434) 1.446 6.987 ( -0.078 1.248 0.166) 1.262 7.090 ( 0.738 -1.029 0.304) 1.302 7.482 ( 0.000 0.064 0.068) 0.093 7.703 ( -0.445 1.577 -0.256) 1.659 ======================= Grid point 24 (17/324) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 2.087 6.043 -0.417) 6.407 2.553 ( -2.621 4.294 -0.871) 5.106 2.893 ( 3.973 11.280 1.847) 12.101 2.934 ( -0.943 3.103 5.124) 6.064 3.071 ( -3.749 0.602 0.213) 3.803 3.214 ( 2.962 0.564 5.492) 6.265 3.431 ( -1.616 -4.704 -9.383) 10.620 3.791 ( -0.360 8.367 -1.386) 8.489 3.914 ( -1.020 6.543 -1.192) 6.728 4.119 ( 2.923 -1.086 0.825) 3.226 4.407 ( -1.558 1.298 -0.526) 2.095 4.460 ( 1.584 4.718 -0.303) 4.986 4.608 ( -0.537 0.415 -2.958) 3.035 4.710 ( -3.338 4.159 1.498) 5.539 5.161 ( 1.455 1.984 -0.244) 2.473 5.301 ( 2.950 -3.662 -0.576) 4.738 5.343 ( -2.151 0.592 -1.789) 2.860 5.725 ( 0.422 -1.467 5.807) 6.005 5.849 ( 1.223 1.566 5.073) 5.448 5.970 ( -1.052 1.711 -5.889) 6.222 6.025 ( 2.127 -0.082 3.258) 3.892 6.158 ( -2.207 -5.364 -3.010) 6.535 6.299 ( 1.242 -3.761 1.263) 4.157 6.384 ( 0.200 -1.162 0.182) 1.193 6.438 ( -2.471 1.349 0.196) 2.822 6.746 ( 1.466 -1.860 -1.079) 2.602 6.937 ( 0.219 3.451 -0.843) 3.559 7.128 ( 3.149 -1.600 -0.546) 3.574 7.475 ( 0.716 0.639 -0.797) 1.247 7.662 ( -4.747 1.674 1.210) 5.177 ======================= Grid point 25 (18/324) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 1.449 14.046 -0.874) 14.148 2.412 ( -0.305 14.567 2.305) 14.752 2.637 ( 2.913 9.468 1.636) 10.040 2.923 ( -0.860 1.940 4.824) 5.270 3.025 ( -2.878 2.663 -0.630) 3.972 3.228 ( 2.141 1.596 7.805) 8.249 3.469 ( -3.106 -2.826 -13.380) 14.024 3.557 ( -0.687 16.047 -2.863) 16.315 3.745 ( 0.125 9.946 -0.799) 9.979 4.121 ( 3.220 3.505 1.965) 5.149 4.290 ( -2.089 7.354 -0.274) 7.650 4.438 ( 0.032 -0.356 -0.223) 0.421 4.600 ( -1.149 1.070 -0.198) 1.582 4.634 ( -1.089 1.015 -1.720) 2.275 5.121 ( 2.586 3.565 0.935) 4.502 5.268 ( -3.398 3.196 -3.034) 5.564 5.402 ( 2.415 -3.593 0.898) 4.421 5.764 ( 3.182 2.274 4.606) 6.042 5.806 ( -0.651 3.905 3.418) 5.230 5.910 ( 1.116 -0.247 -4.653) 4.792 6.060 ( 0.123 -1.304 4.147) 4.349 6.268 ( 2.013 -5.338 0.381) 5.718 6.343 ( -1.815 1.057 0.261) 2.117 6.410 ( -1.601 -1.185 -2.271) 3.021 6.476 ( -1.081 -9.296 1.126) 9.427 6.784 ( -0.724 -2.119 -1.594) 2.749 6.865 ( 1.010 4.075 -1.445) 4.440 7.169 ( 7.366 -0.336 -0.983) 7.439 7.472 ( 0.090 -0.674 -0.374) 0.775 7.602 ( -8.040 1.739 1.187) 8.312 ======================= Grid point 26 (19/324) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -0.120 19.500 -1.093) 19.531 2.014 ( 1.729 25.558 1.706) 25.673 2.594 ( 2.876 0.564 4.105) 5.044 2.869 ( -2.353 6.359 4.426) 8.097 2.913 ( -2.207 8.514 -3.738) 9.557 3.120 ( -0.693 15.276 -1.726) 15.388 3.278 ( 1.565 5.725 5.745) 8.260 3.423 ( -3.721 3.594 -10.413) 11.627 3.578 ( 1.362 6.939 -1.736) 7.281 4.019 ( 3.259 9.424 4.154) 10.802 4.138 ( -2.493 7.960 -2.079) 8.597 4.445 ( -0.281 -0.570 -0.270) 0.691 4.549 ( -0.320 1.517 1.172) 1.944 4.683 ( 0.164 -4.598 -0.965) 4.701 5.050 ( 1.568 5.481 0.861) 5.766 5.175 ( -2.119 4.018 -3.014) 5.452 5.475 ( 0.659 -2.793 2.658) 3.912 5.662 ( 0.973 8.248 -1.502) 8.439 5.722 ( -0.946 4.504 0.200) 4.607 5.994 ( 7.781 -4.172 0.685) 8.856 6.110 ( -3.628 -3.553 4.115) 6.536 6.221 ( -0.411 4.593 0.396) 4.628 6.395 ( -3.230 -1.073 -3.166) 4.649 6.484 ( 1.960 -8.591 1.732) 8.980 6.659 ( 1.688 -8.091 2.553) 8.651 6.779 ( 0.181 3.437 -2.302) 4.141 6.814 ( -3.327 -1.660 -2.982) 4.766 7.212 ( 10.553 0.076 -0.430) 10.562 7.499 ( -5.388 -1.947 1.525) 5.928 7.539 ( -5.375 -0.130 -1.118) 5.491 ======================= Grid point 27 (20/324) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.930 22.275 -1.097) 22.322 1.520 ( 0.939 27.525 0.236) 27.542 2.389 ( -2.804 33.346 -1.601) 33.502 2.637 ( 2.768 0.132 4.840) 5.577 2.833 ( 1.382 3.151 2.208) 4.088 2.927 ( -2.403 5.446 -4.587) 7.515 3.213 ( 0.567 6.927 3.057) 7.593 3.289 ( -1.177 4.704 -1.804) 5.174 3.453 ( -0.095 8.202 -3.692) 8.995 3.851 ( 2.594 9.068 3.660) 10.117 3.969 ( -2.034 7.487 -2.445) 8.134 4.457 ( -0.220 -0.941 0.121) 0.974 4.559 ( 0.234 -1.919 0.563) 2.014 4.762 ( 1.000 -1.854 1.541) 2.611 4.950 ( -0.129 4.008 -0.523) 4.044 5.090 ( -0.687 3.636 -1.888) 4.154 5.488 ( -0.342 7.921 -0.489) 7.943 5.534 ( 0.333 -0.555 3.733) 3.789 5.633 ( -0.517 4.115 -3.454) 5.397 6.060 ( 2.830 2.167 -0.560) 3.608 6.120 ( -1.188 -1.158 -0.689) 1.796 6.249 ( 4.212 -4.295 9.151) 10.951 6.386 ( -5.960 -2.120 -8.379) 10.499 6.640 ( 3.941 -2.304 6.295) 7.777 6.695 ( -1.328 0.002 -4.303) 4.503 6.779 ( 0.865 -0.947 1.267) 1.803 6.864 ( -1.176 -6.469 -2.767) 7.134 7.250 ( 4.812 0.621 0.202) 4.856 7.477 ( -5.868 -1.602 0.683) 6.121 7.595 ( -0.860 -5.127 -0.896) 5.275 ======================= Grid point 28 (21/324) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -0.000 21.923 0.000) 21.923 1.001 ( -0.000 27.526 0.000) 27.526 1.668 ( -0.000 40.966 0.000) 40.966 2.641 ( -0.000 2.606 0.000) 2.606 2.793 ( -0.000 2.328 0.000) 2.328 2.828 ( -0.000 3.088 0.000) 3.088 3.061 ( -0.000 7.172 0.000) 7.172 3.212 ( -0.000 15.371 0.000) 15.371 3.223 ( -0.000 3.411 0.000) 3.411 3.779 ( -0.000 0.599 0.000) 0.599 3.839 ( -0.000 4.899 0.000) 4.899 4.479 ( 0.000 -1.316 -0.000) 1.316 4.609 ( 0.000 -2.925 -0.000) 2.925 4.709 ( -0.000 6.548 0.000) 6.548 4.957 ( 0.000 -3.300 -0.000) 3.300 5.022 ( -0.000 2.905 0.000) 2.905 5.325 ( -0.000 8.310 0.000) 8.310 5.548 ( -0.000 3.790 0.000) 3.790 5.564 ( 0.000 -1.067 -0.000) 1.067 6.009 ( -0.000 2.100 0.000) 2.100 6.153 ( 0.000 -1.594 -0.000) 1.594 6.359 ( 0.000 -0.876 -0.000) 0.876 6.391 ( 0.000 -4.428 -0.000) 4.428 6.582 ( -0.000 4.744 0.000) 4.744 6.766 ( 0.000 -2.224 -0.000) 2.224 6.807 ( 0.000 -3.366 -0.000) 3.366 6.971 ( 0.000 -4.509 -0.000) 4.509 7.230 ( -0.000 1.538 0.000) 1.538 7.530 ( 0.000 -4.408 -0.000) 4.408 7.690 ( 0.000 -5.067 -0.000) 5.067 ======================= Grid point 31 (22/324) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 18.072 0.000 11.643) 21.498 0.577 ( 22.553 0.000 13.085) 26.074 0.878 ( 26.836 0.000 33.145) 42.647 2.303 ( -10.444 -0.000 -8.045) 13.183 2.395 ( -13.102 -0.000 -22.716) 26.224 2.695 ( -2.778 -0.000 -7.341) 7.848 3.006 ( 6.805 0.000 11.167) 13.077 3.169 ( 2.517 0.000 3.043) 3.949 3.283 ( 5.075 0.000 12.031) 13.057 3.520 ( -9.470 -0.000 -15.475) 18.142 4.003 ( 2.081 0.000 5.656) 6.027 4.284 ( 0.120 0.000 0.595) 0.607 4.510 ( -0.128 -0.000 -2.171) 2.175 4.682 ( 0.156 0.000 0.743) 0.759 4.963 ( -1.038 -0.000 -1.265) 1.636 4.993 ( 0.880 0.000 -0.725) 1.140 5.117 ( -0.290 -0.000 -1.135) 1.171 5.463 ( 1.697 0.000 -4.036) 4.378 5.755 ( -1.490 -0.000 7.507) 7.653 6.038 ( 1.256 0.000 5.839) 5.973 6.137 ( 0.719 0.000 0.040) 0.720 6.235 ( -7.228 -0.000 -0.790) 7.271 6.393 ( -0.723 -0.000 0.245) 0.763 6.788 ( -12.768 -0.000 19.464) 23.278 6.813 ( -4.659 -0.000 -3.356) 5.742 6.854 ( -1.709 -0.000 -1.461) 2.249 7.131 ( -2.774 -0.000 6.414) 6.989 7.402 ( 8.396 0.000 -2.319) 8.710 7.815 ( 1.510 0.000 -7.582) 7.731 7.882 ( 4.668 0.000 6.178) 7.743 ======================= Grid point 32 (23/324) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 14.687 -5.770 9.786) 18.568 0.840 ( 16.771 -10.760 17.255) 26.359 1.373 ( 20.254 -27.346 20.089) 39.516 2.253 ( -11.073 -2.073 -15.113) 18.849 2.357 ( -10.718 -8.788 -13.606) 19.422 2.762 ( -3.658 -9.102 -7.090) 12.104 3.069 ( 3.843 -1.369 8.519) 9.445 3.218 ( 2.563 -3.399 4.024) 5.858 3.300 ( 3.642 2.494 9.365) 10.353 3.472 ( -6.885 -4.069 -10.011) 12.813 3.979 ( 2.694 2.156 3.855) 5.174 4.423 ( -2.850 -9.033 -1.913) 9.663 4.498 ( 0.071 0.029 -3.140) 3.141 4.658 ( -0.039 2.594 -0.076) 2.596 4.977 ( 1.053 1.353 -0.299) 1.741 4.999 ( -1.245 -3.622 -1.778) 4.222 5.179 ( -1.358 -6.437 1.500) 6.748 5.482 ( 2.796 -2.154 -5.966) 6.932 5.733 ( 0.967 2.944 7.395) 8.018 6.049 ( -1.220 0.897 6.340) 6.518 6.128 ( -0.199 0.949 -3.982) 4.098 6.178 ( -4.379 1.929 1.090) 4.908 6.405 ( -2.894 -1.458 -1.407) 3.533 6.758 ( -6.023 1.806 -2.429) 6.740 6.782 ( -6.077 0.375 15.764) 16.899 6.825 ( -0.229 1.721 -0.999) 2.002 6.998 ( 4.984 9.799 2.707) 11.322 7.394 ( 3.623 3.972 -0.997) 5.467 7.700 ( 8.119 5.486 -4.822) 10.921 7.881 ( 4.844 3.873 6.264) 8.815 ======================= Grid point 33 (24/324) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 9.309 -13.165 7.578) 17.815 1.200 ( 11.025 -16.032 13.218) 23.522 2.055 ( 11.857 -29.214 8.408) 32.630 2.246 ( -8.410 -8.242 -12.403) 17.102 2.494 ( -6.080 -11.603 -8.924) 15.850 2.902 ( -4.979 -9.119 -4.655) 11.385 3.128 ( -0.202 -1.016 3.345) 3.502 3.288 ( 1.801 0.572 3.308) 3.809 3.361 ( 0.512 -10.415 1.669) 10.560 3.567 ( -0.879 -8.274 0.775) 8.357 3.986 ( 1.892 -0.995 2.632) 3.390 4.473 ( 0.666 0.313 -1.292) 1.487 4.558 ( -1.810 -4.174 -4.192) 6.186 4.608 ( -0.651 0.482 -1.101) 1.367 4.971 ( 1.440 -0.277 1.851) 2.361 5.060 ( -1.214 -3.803 -0.458) 4.018 5.329 ( -2.036 -8.866 3.950) 9.917 5.526 ( 5.759 -2.019 -9.165) 11.011 5.704 ( -0.162 2.523 7.784) 8.184 5.993 ( -7.197 3.684 0.540) 8.103 6.116 ( 0.520 -1.019 0.326) 1.190 6.142 ( -0.085 1.393 -0.273) 1.422 6.392 ( -6.149 -0.052 -4.363) 7.540 6.690 ( -2.515 2.624 -0.614) 3.686 6.780 ( -1.623 0.349 2.225) 2.776 6.806 ( 3.623 4.279 8.668) 10.323 6.892 ( -0.314 1.378 0.594) 1.533 7.277 ( -1.106 8.291 -1.166) 8.446 7.680 ( 9.498 0.917 -4.240) 10.442 7.820 ( 4.576 6.475 5.837) 9.845 ======================= Grid point 34 (25/324) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 5.749 -16.183 6.269) 18.283 1.605 ( 6.927 -19.296 7.606) 21.867 2.281 ( -6.614 -8.709 -11.836) 16.115 2.623 ( 2.480 -11.682 -13.234) 17.826 2.734 ( 1.163 -22.587 10.006) 24.732 3.052 ( -4.387 -10.041 1.085) 11.011 3.130 ( -1.507 -0.270 0.307) 1.561 3.314 ( 1.529 -2.756 2.346) 3.929 3.604 ( -2.155 -14.380 -4.423) 15.198 3.726 ( 3.088 -5.658 7.451) 9.852 4.057 ( 0.481 -5.568 1.119) 5.700 4.473 ( 1.148 -0.172 -0.592) 1.303 4.551 ( 1.673 0.645 -0.156) 1.800 4.652 ( -1.770 -3.279 -2.736) 4.623 5.006 ( 1.369 -1.507 2.727) 3.403 5.138 ( -1.064 -5.200 1.133) 5.428 5.467 ( -0.897 -3.596 0.022) 3.707 5.579 ( 7.158 -3.339 -2.992) 8.446 5.674 ( -3.309 0.839 3.172) 4.660 5.881 ( -7.209 3.991 0.052) 8.241 6.109 ( 1.351 1.845 -4.104) 4.698 6.165 ( -1.201 -3.668 1.771) 4.247 6.331 ( -7.261 1.300 -6.256) 9.672 6.627 ( -0.255 3.342 0.529) 3.394 6.710 ( 2.003 6.536 0.238) 6.840 6.795 ( 0.206 -1.167 4.022) 4.193 6.939 ( -1.113 -3.776 4.684) 6.118 7.088 ( -1.972 10.083 -0.908) 10.314 7.699 ( 5.477 2.645 -0.324) 6.091 7.730 ( 6.551 4.551 1.237) 8.072 ======================= Grid point 35 (26/324) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 3.104 -14.376 5.440) 15.681 2.019 ( 4.614 -20.108 1.913) 20.719 2.403 ( -4.719 -9.687 -6.356) 12.511 2.760 ( 1.004 -7.583 -11.699) 13.977 2.988 ( -3.660 -3.328 -1.862) 5.286 3.113 ( -2.146 0.227 3.295) 3.939 3.351 ( 3.309 -17.404 6.878) 19.004 3.459 ( -1.214 -12.374 -1.166) 12.488 3.795 ( 2.525 -2.929 7.390) 8.340 3.856 ( -0.636 -8.996 -1.827) 9.201 4.179 ( -1.060 -6.327 -0.866) 6.473 4.483 ( 1.327 0.036 1.108) 1.729 4.589 ( 2.804 -3.510 1.025) 4.608 4.688 ( 0.675 -1.367 1.367) 2.048 5.049 ( 0.956 -2.180 1.854) 3.017 5.244 ( -0.859 -5.634 1.231) 5.830 5.449 ( 3.015 4.079 -2.712) 5.752 5.613 ( -3.826 0.286 0.619) 3.886 5.708 ( -1.093 -0.996 -3.600) 3.891 5.832 ( -2.587 -4.457 3.363) 6.154 6.056 ( 0.678 3.030 -5.841) 6.615 6.242 ( -0.895 -3.744 1.069) 3.995 6.257 ( -6.183 0.733 -5.551) 8.341 6.568 ( 2.188 4.081 2.297) 5.169 6.599 ( -0.448 5.144 -2.388) 5.689 6.804 ( -4.428 2.876 2.701) 5.930 6.925 ( 1.148 3.586 1.435) 4.030 7.019 ( 0.350 -3.226 3.519) 4.787 7.607 ( 2.284 6.390 4.036) 7.895 7.743 ( 6.647 -0.003 -4.026) 7.771 ======================= Grid point 36 (27/324) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 0.772 -9.904 3.549) 10.549 2.398 ( 3.048 -17.779 -2.617) 18.227 2.563 ( -2.069 -9.840 -0.596) 10.073 2.863 ( 1.206 -4.664 -6.260) 7.900 2.974 ( -4.635 -0.674 -6.633) 8.120 3.112 ( -1.453 -0.744 1.595) 2.282 3.640 ( 2.301 -10.219 3.975) 11.204 3.715 ( 0.675 -12.044 1.407) 12.145 3.820 ( 3.012 2.309 10.008) 10.703 3.994 ( -2.023 -5.566 -4.372) 7.361 4.280 ( -2.653 -6.652 -1.183) 7.258 4.483 ( 1.357 1.182 2.282) 2.907 4.670 ( 0.743 -1.749 0.472) 1.958 4.738 ( 3.958 -2.994 5.002) 7.046 5.117 ( 1.464 -3.942 1.288) 4.398 5.312 ( -0.330 -0.300 -1.615) 1.675 5.362 ( 1.148 4.446 -0.692) 4.643 5.602 ( -2.213 -2.006 -3.411) 4.534 5.685 ( -5.591 -1.573 -2.308) 6.250 5.960 ( 0.027 -1.366 -0.347) 1.410 5.990 ( 1.052 -1.690 -1.456) 2.467 6.201 ( -1.944 1.025 -1.324) 2.566 6.316 ( -2.235 -3.525 -1.518) 4.441 6.451 ( 0.544 7.706 -1.339) 7.840 6.540 ( 2.179 3.235 1.867) 4.325 6.704 ( -5.078 2.374 -0.081) 5.606 6.947 ( 2.331 -1.586 3.440) 4.448 7.073 ( -0.705 -1.604 1.662) 2.415 7.526 ( 1.342 3.857 2.943) 5.034 7.754 ( 4.373 0.694 -3.396) 5.580 ======================= Grid point 37 (28/324) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -0.161 -5.520 1.428) 5.704 2.652 ( 1.573 -6.038 1.850) 6.508 2.743 ( -1.148 -9.585 -4.155) 10.510 2.893 ( 1.692 -2.370 -3.919) 4.882 2.997 ( -5.776 -4.943 -3.978) 8.580 3.147 ( 0.696 -3.244 -0.137) 3.321 3.671 ( 3.309 9.684 9.283) 13.817 3.863 ( 1.523 -5.631 1.230) 5.962 3.921 ( 0.110 -6.515 0.924) 6.581 4.027 ( -0.859 -1.326 -3.402) 3.751 4.406 ( -2.016 -6.880 -0.059) 7.169 4.466 ( 1.058 1.418 2.526) 3.084 4.667 ( 0.701 1.838 0.703) 2.089 4.818 ( 0.686 -1.174 3.099) 3.384 5.193 ( 1.407 -2.217 0.976) 2.801 5.242 ( 2.439 3.883 -0.404) 4.603 5.328 ( -1.019 0.137 -5.265) 5.365 5.654 ( -3.953 -4.185 1.096) 5.860 5.718 ( -2.038 -4.654 -2.095) 5.496 5.918 ( -0.671 -0.159 -3.706) 3.769 6.045 ( -0.474 0.831 1.653) 1.910 6.212 ( -0.948 -0.746 -1.605) 2.008 6.275 ( 1.840 4.190 2.145) 5.054 6.392 ( 0.599 -0.564 -1.418) 1.640 6.477 ( -0.437 3.619 1.091) 3.805 6.689 ( -1.048 -1.468 -0.193) 1.815 6.991 ( 1.122 -0.994 1.868) 2.396 7.084 ( -0.781 -0.043 0.633) 1.006 7.491 ( 0.379 1.182 1.541) 1.979 7.740 ( 2.057 1.769 -1.995) 3.368 ======================= Grid point 38 (29/324) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 0.606 -1.399 0.243) 1.544 2.637 ( -0.525 5.381 0.440) 5.424 2.863 ( -1.242 -5.522 -1.537) 5.865 3.002 ( 1.476 -5.002 -3.479) 6.269 3.041 ( -4.045 -2.560 0.840) 4.860 3.229 ( 2.380 -3.691 -0.078) 4.393 3.476 ( 1.433 12.165 4.628) 13.094 3.898 ( 0.367 2.970 0.610) 3.054 3.966 ( -1.444 0.253 -1.765) 2.295 4.086 ( 2.050 -3.856 -0.205) 4.372 4.424 ( -0.419 1.625 0.563) 1.770 4.511 ( 0.947 -1.438 0.517) 1.798 4.628 ( 0.386 2.164 -0.904) 2.377 4.780 ( -2.725 4.168 1.720) 5.268 5.198 ( 1.397 1.527 0.331) 2.096 5.254 ( 4.146 -2.554 -0.009) 4.870 5.316 ( -3.122 -0.909 -4.568) 5.607 5.700 ( -2.509 -2.167 3.444) 4.781 5.821 ( 1.007 -5.847 1.660) 6.161 5.970 ( -1.317 -5.483 -0.738) 5.687 6.000 ( -1.452 2.117 -2.851) 3.836 6.119 ( 0.331 5.026 -1.195) 5.177 6.313 ( 1.536 -0.472 2.498) 2.970 6.369 ( 1.680 1.446 0.044) 2.217 6.445 ( -2.152 -0.070 -0.150) 2.159 6.719 ( 0.849 -1.531 -0.620) 1.857 6.988 ( 0.017 1.828 0.300) 1.852 7.100 ( 0.873 -1.862 0.327) 2.083 7.483 ( 0.013 0.222 0.101) 0.244 7.697 ( -0.579 2.878 -0.335) 2.955 ======================= Grid point 39 (30/324) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 1.349 5.849 -0.137) 6.004 2.530 ( -1.480 4.477 -0.418) 4.733 2.924 ( 1.698 1.214 -0.311) 2.110 2.956 ( 0.350 10.705 4.031) 11.444 3.040 ( -2.522 0.309 -0.070) 2.542 3.267 ( 1.867 0.352 6.558) 6.828 3.372 ( -1.142 -1.800 -8.393) 8.660 3.788 ( 0.368 8.979 -0.134) 8.988 3.894 ( -1.326 6.109 -1.523) 6.435 4.148 ( 2.280 -1.486 0.324) 2.741 4.386 ( -1.780 2.620 -0.718) 3.248 4.473 ( 0.959 4.363 0.185) 4.471 4.595 ( -0.156 0.945 -1.152) 1.498 4.694 ( -1.503 4.038 1.048) 4.434 5.184 ( 2.756 1.445 1.189) 3.332 5.281 ( -3.202 0.794 -3.838) 5.061 5.344 ( 1.853 -3.775 0.298) 4.215 5.757 ( -0.013 -3.839 5.257) 6.509 5.886 ( 0.879 2.416 4.564) 5.238 5.930 ( -0.677 3.263 -5.500) 6.431 6.057 ( 1.802 -2.205 1.882) 3.414 6.120 ( -2.370 -7.082 -2.956) 8.032 6.319 ( 1.595 -2.682 0.778) 3.216 6.386 ( 0.304 -0.667 -0.336) 0.807 6.417 ( -2.295 2.180 0.650) 3.231 6.748 ( 0.359 -1.488 -0.994) 1.825 6.939 ( 0.453 3.354 -0.150) 3.388 7.155 ( 2.511 -2.875 -0.243) 3.825 7.479 ( 0.803 0.271 -0.440) 0.955 7.625 ( -3.531 3.622 0.629) 5.097 ======================= Grid point 40 (31/324) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.569 14.624 -0.255) 14.637 2.417 ( -0.138 11.930 0.756) 11.955 2.669 ( 1.683 10.983 0.897) 11.147 2.933 ( -0.653 1.590 1.882) 2.549 3.001 ( -1.146 3.171 -0.520) 3.411 3.291 ( 1.411 1.503 10.189) 10.396 3.374 ( -2.040 -0.845 -12.700) 12.891 3.547 ( -0.055 16.201 -0.565) 16.211 3.740 ( -0.144 8.800 -0.455) 8.813 4.154 ( 1.811 2.552 0.769) 3.223 4.270 ( -1.480 7.678 -0.155) 7.821 4.438 ( 0.139 0.147 -0.001) 0.203 4.598 ( 0.156 -0.267 1.207) 1.246 4.615 ( -0.904 2.027 -1.830) 2.876 5.156 ( 2.811 3.911 1.578) 5.068 5.220 ( -3.066 2.722 -2.393) 4.747 5.423 ( 0.990 -3.551 0.329) 3.702 5.802 ( 1.246 5.884 1.405) 6.177 5.814 ( -0.537 5.039 1.863) 5.399 5.903 ( 0.695 -6.879 -1.619) 7.101 6.073 ( -0.103 0.299 1.027) 1.074 6.284 ( 0.843 -7.030 0.234) 7.084 6.333 ( -0.670 1.603 0.540) 1.819 6.387 ( -0.726 0.319 -1.467) 1.668 6.472 ( -0.523 -10.355 0.484) 10.379 6.771 ( -0.458 -1.094 -0.686) 1.370 6.868 ( 0.413 4.313 -0.421) 4.353 7.224 ( 3.833 -2.721 -0.437) 4.721 7.481 ( 1.868 0.045 0.262) 1.887 7.536 ( -5.686 3.278 0.165) 6.565 ======================= Grid point 41 (32/324) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.000 19.966 0.000) 19.966 2.028 ( -0.000 25.608 0.000) 25.608 2.622 ( 0.000 -1.269 -0.000) 1.269 2.855 ( -0.000 11.875 0.000) 11.875 2.902 ( -0.000 4.697 0.000) 4.697 3.111 ( -0.000 17.152 0.000) 17.152 3.335 ( -0.000 3.010 0.000) 3.010 3.342 ( -0.000 3.948 0.000) 3.948 3.582 ( -0.000 7.487 0.000) 7.487 4.053 ( -0.000 9.038 0.000) 9.038 4.112 ( -0.000 8.286 0.000) 8.286 4.443 ( 0.000 -0.491 -0.000) 0.491 4.551 ( -0.000 1.290 0.000) 1.290 4.681 ( 0.000 -5.264 -0.000) 5.264 5.063 ( -0.000 6.414 0.000) 6.414 5.153 ( -0.000 3.374 0.000) 3.374 5.486 ( 0.000 -2.790 -0.000) 2.790 5.663 ( -0.000 8.428 0.000) 8.428 5.717 ( -0.000 5.087 0.000) 5.087 6.057 ( 0.000 -6.742 -0.000) 6.742 6.080 ( 0.000 -1.329 -0.000) 1.329 6.224 ( -0.000 3.400 0.000) 3.400 6.367 ( -0.000 0.966 0.000) 0.966 6.498 ( 0.000 -9.932 -0.000) 9.932 6.679 ( 0.000 -10.590 -0.000) 10.590 6.779 ( -0.000 4.969 0.000) 4.969 6.781 ( 0.000 -0.294 -0.000) 0.294 7.273 ( 0.000 -0.787 -0.000) 0.787 7.460 ( -0.000 1.756 0.000) 1.756 7.516 ( 0.000 -2.696 -0.000) 2.696 ======================= Grid point 46 (33/324) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 17.174 0.000 11.094) 20.445 0.853 ( 21.573 0.000 12.273) 24.820 1.292 ( 24.515 0.000 32.004) 40.314 2.148 ( -13.792 -0.000 -22.298) 26.218 2.163 ( -10.181 -0.000 -7.675) 12.750 2.618 ( -5.368 -0.000 -7.459) 9.189 3.124 ( 6.477 0.000 9.367) 11.388 3.212 ( 2.195 0.000 4.409) 4.925 3.319 ( -6.949 -0.000 -15.176) 16.692 3.403 ( 0.130 0.000 8.628) 8.629 4.040 ( 0.899 0.000 3.250) 3.373 4.290 ( 0.228 0.000 0.858) 0.888 4.495 ( -0.165 -0.000 -2.889) 2.894 4.687 ( 0.021 0.000 0.785) 0.786 4.945 ( -1.110 -0.000 -1.748) 2.071 4.998 ( 0.965 0.000 -0.734) 1.212 5.107 ( -0.887 -0.000 -0.583) 1.062 5.457 ( 1.842 0.000 -4.916) 5.249 5.773 ( -1.073 -0.000 3.373) 3.540 6.076 ( 0.734 0.000 4.581) 4.639 6.145 ( 1.009 0.000 0.079) 1.012 6.166 ( -6.863 -0.000 1.260) 6.978 6.386 ( -1.002 -0.000 0.282) 1.041 6.712 ( -9.548 -0.000 0.989) 9.599 6.814 ( -1.330 -0.000 4.748) 4.931 6.832 ( -2.183 -0.000 1.966) 2.938 7.143 ( -1.425 -0.000 4.912) 5.115 7.449 ( 2.615 0.000 -0.015) 2.615 7.792 ( 2.357 0.000 -8.082) 8.419 7.969 ( 6.000 0.000 6.923) 9.161 ======================= Grid point 47 (34/324) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 14.839 -2.673 9.389) 17.763 1.095 ( 18.157 -8.597 16.422) 25.948 1.666 ( 18.321 -19.508 21.087) 34.072 2.054 ( -11.710 -3.294 -18.399) 22.057 2.211 ( -8.456 -10.880 -7.692) 15.781 2.676 ( -6.293 -9.522 -7.144) 13.465 3.123 ( -0.390 0.489 0.826) 1.036 3.228 ( -0.617 0.704 -4.562) 4.657 3.336 ( 1.210 -5.693 2.342) 6.273 3.438 ( 0.475 -2.082 7.678) 7.970 4.015 ( 1.442 2.037 2.498) 3.531 4.395 ( -1.508 -8.038 -1.115) 8.254 4.483 ( 0.029 0.260 -3.030) 3.042 4.657 ( -0.046 2.900 -0.001) 2.901 4.975 ( -1.331 -3.205 -2.144) 4.080 4.990 ( 1.381 0.338 0.049) 1.422 5.174 ( -1.595 -6.913 2.018) 7.376 5.475 ( 2.394 -2.342 -6.612) 7.412 5.762 ( -0.372 1.288 2.523) 2.857 6.045 ( -3.505 4.355 2.172) 5.997 6.114 ( -1.980 0.577 2.399) 3.164 6.164 ( -0.339 0.284 1.074) 1.162 6.374 ( -2.552 0.816 -0.645) 2.756 6.682 ( -6.393 -0.556 0.103) 6.418 6.794 ( 0.496 1.356 -2.930) 3.267 6.841 ( -1.716 -0.559 10.417) 10.573 7.047 ( 2.053 9.102 3.248) 9.880 7.400 ( -1.136 5.413 -0.721) 5.577 7.742 ( 6.855 2.711 -6.137) 9.592 7.968 ( 5.877 4.529 6.713) 10.006 ======================= Grid point 48 (35/324) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 10.771 -10.295 8.518) 17.162 1.397 ( 13.996 -11.143 15.759) 23.841 2.044 ( -8.180 -8.405 -15.629) 19.540 2.247 ( 7.912 -25.560 7.378) 27.755 2.413 ( -3.277 -14.201 -4.075) 15.133 2.810 ( -7.716 -9.838 -5.490) 13.655 3.147 ( -0.427 0.315 3.780) 3.817 3.247 ( -3.182 -8.363 -10.835) 14.052 3.403 ( 2.013 -0.899 7.443) 7.763 3.596 ( 2.105 -10.566 5.303) 12.008 4.012 ( 1.151 -0.545 1.865) 2.258 4.472 ( 0.567 -0.091 -1.578) 1.680 4.523 ( -1.073 -5.994 -3.620) 7.084 4.605 ( 0.204 1.928 0.322) 1.966 4.995 ( 1.306 -0.931 1.445) 2.159 5.044 ( -0.848 -4.289 -0.898) 4.463 5.331 ( -2.359 -8.849 5.145) 10.505 5.525 ( 4.220 -3.532 -10.071) 11.477 5.735 ( 0.139 2.736 4.262) 5.067 5.928 ( -5.938 5.056 -0.409) 7.810 6.113 ( -4.031 -0.814 3.793) 5.594 6.151 ( 2.516 1.468 -0.867) 3.039 6.319 ( -5.090 2.369 -3.223) 6.474 6.660 ( -2.189 1.075 0.369) 2.466 6.779 ( -0.289 -0.365 0.747) 0.881 6.886 ( 2.206 8.562 -1.282) 8.934 6.891 ( 0.974 -1.786 9.168) 9.391 7.252 ( -2.629 8.489 -1.509) 9.014 7.736 ( 7.019 0.595 -4.240) 8.222 7.897 ( 5.178 7.196 5.455) 10.409 ======================= Grid point 49 (36/324) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 7.953 -13.805 8.134) 17.888 1.732 ( 9.717 -14.789 10.065) 20.357 2.149 ( -8.124 -11.158 -11.561) 18.004 2.569 ( 1.253 -9.675 -14.626) 17.581 2.773 ( -3.103 -18.364 5.944) 19.550 3.018 ( -2.798 -17.057 3.314) 17.600 3.129 ( -0.657 0.605 2.216) 2.389 3.337 ( 1.489 -2.476 -0.014) 2.889 3.546 ( -2.863 -13.664 -5.734) 15.093 3.806 ( 3.830 -6.985 8.355) 11.544 4.061 ( -0.394 -4.347 0.031) 4.365 4.480 ( 0.892 -0.704 -0.699) 1.334 4.574 ( 2.683 -0.494 0.554) 2.784 4.631 ( -0.519 -4.276 -0.887) 4.398 5.029 ( 0.940 -1.376 1.634) 2.334 5.134 ( -0.516 -5.581 0.870) 5.672 5.459 ( -1.373 -3.577 1.044) 3.971 5.616 ( 4.131 -6.714 -7.745) 11.051 5.670 ( 0.003 5.339 6.091) 8.100 5.818 ( -5.546 3.061 -0.634) 6.366 6.101 ( -0.734 2.210 -0.959) 2.518 6.148 ( -3.127 -2.131 -1.155) 3.956 6.246 ( -4.623 1.010 -3.388) 5.819 6.623 ( -0.248 2.186 0.354) 2.229 6.724 ( 0.540 7.453 -0.496) 7.489 6.814 ( -0.115 -0.734 2.568) 2.673 6.956 ( 0.321 -1.903 3.693) 4.167 7.074 ( -0.780 7.876 0.108) 7.916 7.743 ( 3.677 2.265 0.646) 4.367 7.792 ( 5.714 5.986 0.009) 8.275 ======================= Grid point 50 (37/324) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 4.850 -11.766 6.450) 14.268 2.087 ( 6.363 -16.674 3.150) 18.123 2.324 ( -5.208 -12.884 -5.098) 14.803 2.693 ( -2.372 -8.513 -12.504) 15.312 2.947 ( -2.118 -2.914 -1.394) 3.863 3.103 ( -3.258 0.147 2.698) 4.233 3.420 ( 3.333 -17.887 7.258) 19.589 3.451 ( 0.301 -10.923 -0.442) 10.936 3.771 ( -2.870 -12.041 -5.932) 13.726 3.915 ( 3.759 -0.719 8.544) 9.362 4.154 ( -2.241 -5.669 -2.231) 6.492 4.499 ( 0.965 -0.594 0.846) 1.414 4.622 ( 2.319 -2.936 1.687) 4.104 4.712 ( 2.347 -3.566 2.075) 4.746 5.069 ( 1.166 -2.227 1.687) 3.027 5.240 ( -0.767 -5.324 0.436) 5.397 5.466 ( 3.305 2.993 -2.821) 5.276 5.583 ( -3.397 2.346 1.401) 4.360 5.666 ( -3.748 2.384 -3.030) 5.377 5.845 ( 1.720 -7.544 2.378) 8.095 6.033 ( -0.050 3.645 -4.365) 5.687 6.167 ( -6.904 -2.605 -4.112) 8.447 6.242 ( -0.508 -2.062 0.934) 2.320 6.582 ( -0.697 4.399 -1.714) 4.772 6.594 ( 1.345 4.063 0.922) 4.378 6.770 ( -4.047 5.731 0.916) 7.075 6.948 ( 1.534 0.067 1.846) 2.401 7.049 ( 1.550 -1.423 2.982) 3.649 7.649 ( 1.826 7.062 4.389) 8.513 7.775 ( 4.508 0.397 -4.367) 6.288 ======================= Grid point 51 (38/324) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 1.615 -7.866 3.272) 8.671 2.420 ( 3.375 -15.538 -1.599) 15.981 2.543 ( -1.549 -12.179 0.215) 12.279 2.815 ( -4.405 -8.723 -6.802) 11.907 2.928 ( 0.800 2.734 -3.281) 4.344 3.101 ( -2.217 -1.287 1.090) 2.785 3.666 ( 0.996 -11.458 0.456) 11.510 3.751 ( 2.832 -11.715 5.684) 13.326 3.884 ( 1.569 1.758 5.294) 5.795 3.954 ( -1.462 -4.125 -3.785) 5.786 4.245 ( -2.861 -6.906 -1.591) 7.642 4.506 ( 0.976 0.922 1.814) 2.257 4.681 ( 0.711 -1.255 0.674) 1.592 4.795 ( 2.715 -2.815 4.041) 5.624 5.139 ( 1.415 -3.803 1.303) 4.262 5.304 ( 0.699 -1.078 -2.575) 2.878 5.374 ( 1.868 6.514 0.195) 6.780 5.565 ( -2.597 -1.494 -2.635) 3.990 5.625 ( -4.567 -2.769 -1.165) 5.467 5.945 ( -0.472 3.008 -2.945) 4.236 6.007 ( 1.384 -5.253 1.515) 5.640 6.171 ( -2.442 -1.686 -1.667) 3.403 6.295 ( -1.086 -3.161 0.002) 3.342 6.445 ( -0.135 7.152 -1.477) 7.304 6.569 ( 1.948 3.494 1.618) 4.316 6.661 ( -3.685 1.256 -0.488) 3.923 6.982 ( 1.633 -1.261 2.346) 3.124 7.078 ( -0.021 -0.507 1.090) 1.203 7.553 ( 1.129 4.601 2.663) 5.434 7.770 ( 2.516 0.945 -2.879) 3.939 ======================= Grid point 52 (39/324) ======================= q-point: ( 0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 0.236 -4.915 0.977) 5.017 2.671 ( 0.475 -8.787 1.454) 8.919 2.720 ( -0.094 -4.957 -2.501) 5.552 2.893 ( 2.223 -2.582 -3.463) 4.858 2.932 ( -4.692 -6.677 -1.185) 8.246 3.149 ( -0.087 -4.270 -0.144) 4.273 3.737 ( 1.947 10.122 5.722) 11.789 3.877 ( 0.759 -5.870 0.255) 5.924 3.931 ( 0.422 -3.281 1.237) 3.532 4.006 ( -0.066 -3.941 -2.634) 4.741 4.387 ( -1.510 -7.996 -0.265) 8.142 4.486 ( 0.719 1.497 1.676) 2.359 4.675 ( 0.507 1.962 0.165) 2.033 4.832 ( -0.464 1.172 2.080) 2.432 5.208 ( 0.759 -2.088 0.778) 2.354 5.274 ( 3.542 2.863 0.025) 4.554 5.294 ( -0.832 1.806 -3.809) 4.297 5.610 ( -4.619 -5.295 -0.315) 7.034 5.709 ( 0.235 -6.483 0.423) 6.502 5.892 ( -0.936 0.435 -2.823) 3.005 6.048 ( -0.370 1.241 1.122) 1.713 6.194 ( -0.696 0.960 -1.436) 1.863 6.309 ( 2.187 1.196 2.949) 3.861 6.382 ( -0.739 -2.098 -2.265) 3.175 6.478 ( -0.312 5.392 0.826) 5.464 6.683 ( -0.185 -2.607 -0.164) 2.619 7.006 ( 0.575 -0.046 1.004) 1.157 7.081 ( -0.311 -0.323 0.372) 0.583 7.501 ( 0.359 1.929 1.050) 2.225 7.745 ( 0.931 2.120 -1.276) 2.644 ======================= Grid point 53 (40/324) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.273 -1.680 0.111) 1.706 2.635 ( -0.231 6.556 0.208) 6.563 2.848 ( -0.542 -6.699 -0.755) 6.763 2.998 ( 0.743 -3.518 -2.123) 4.176 3.019 ( -1.596 -5.017 1.192) 5.398 3.243 ( 0.735 -4.810 -0.121) 4.867 3.505 ( 0.647 14.369 1.975) 14.519 3.906 ( 0.419 3.567 0.719) 3.663 3.946 ( -0.799 0.222 -1.195) 1.455 4.100 ( 0.939 -4.463 -0.081) 4.561 4.420 ( -0.462 2.045 0.012) 2.096 4.520 ( 0.449 -1.385 0.225) 1.473 4.628 ( 0.197 2.629 -0.264) 2.649 4.770 ( -0.944 4.267 0.893) 4.461 5.220 ( 1.981 1.084 1.999) 3.016 5.258 ( -1.995 -0.207 -4.436) 4.868 5.290 ( 1.053 -2.307 0.564) 2.598 5.692 ( -1.391 -4.200 1.220) 4.590 5.848 ( 1.682 -6.691 2.782) 7.439 5.925 ( -2.526 -5.153 -4.071) 7.036 6.004 ( 0.544 2.621 1.128) 2.905 6.112 ( -0.138 4.639 -0.910) 4.729 6.334 ( 0.655 0.206 1.055) 1.259 6.385 ( 1.396 2.100 0.031) 2.522 6.425 ( -1.586 -0.966 -0.115) 1.861 6.722 ( 0.316 -1.478 -0.303) 1.541 6.990 ( 0.043 1.926 0.162) 1.933 7.107 ( 0.378 -2.409 0.130) 2.442 7.483 ( 0.011 0.393 0.051) 0.397 7.691 ( -0.267 3.627 -0.155) 3.640 ======================= Grid point 54 (41/324) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -0.000 5.761 0.000) 5.761 2.522 ( -0.000 4.572 0.000) 4.572 2.930 ( 0.000 -2.182 -0.000) 2.182 2.971 ( -0.000 13.152 0.000) 13.152 3.027 ( 0.000 -0.049 -0.000) 0.049 3.314 ( 0.000 -2.134 -0.000) 2.134 3.325 ( -0.000 1.990 0.000) 1.990 3.791 ( -0.000 9.262 0.000) 9.262 3.882 ( -0.000 5.918 0.000) 5.918 4.161 ( 0.000 -1.701 -0.000) 1.701 4.374 ( -0.000 3.071 0.000) 3.071 4.478 ( -0.000 4.192 0.000) 4.192 4.591 ( -0.000 1.099 0.000) 1.099 4.690 ( -0.000 4.173 0.000) 4.173 5.217 ( -0.000 1.138 0.000) 1.138 5.237 ( -0.000 0.869 0.000) 0.869 5.355 ( 0.000 -3.797 -0.000) 3.797 5.772 ( 0.000 -5.281 -0.000) 5.281 5.907 ( -0.000 2.955 0.000) 2.955 5.907 ( -0.000 4.319 0.000) 4.319 6.078 ( 0.000 -0.786 -0.000) 0.786 6.092 ( 0.000 -9.940 -0.000) 9.940 6.330 ( 0.000 -2.870 -0.000) 2.870 6.387 ( 0.000 -0.362 -0.000) 0.362 6.406 ( -0.000 2.887 0.000) 2.887 6.747 ( 0.000 -1.274 -0.000) 1.274 6.941 ( -0.000 3.294 0.000) 3.294 7.167 ( 0.000 -3.519 -0.000) 3.519 7.483 ( 0.000 -0.197 -0.000) 0.197 7.609 ( -0.000 4.762 0.000) 4.762 ======================= Grid point 61 (42/324) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 14.549 0.000 9.620) 17.442 1.111 ( 20.031 0.000 10.962) 22.834 1.667 ( 20.798 0.000 28.656) 35.408 1.917 ( -11.744 -0.000 -17.951) 21.452 2.035 ( -9.074 -0.000 -6.014) 10.886 2.518 ( -7.282 -0.000 -7.860) 10.715 3.133 ( -9.293 -0.000 -19.966) 22.023 3.223 ( 5.350 0.000 7.299) 9.050 3.260 ( 2.182 0.000 4.071) 4.619 3.471 ( 1.139 0.000 10.325) 10.387 4.056 ( -0.126 -0.000 1.560) 1.565 4.297 ( 0.336 0.000 1.026) 1.080 4.477 ( -0.485 -0.000 -3.157) 3.194 4.690 ( -0.230 -0.000 0.539) 0.586 4.926 ( -0.960 -0.000 -1.753) 1.998 5.003 ( 0.913 0.000 -0.674) 1.134 5.095 ( -1.108 -0.000 -0.254) 1.136 5.446 ( 0.979 0.000 -4.833) 4.931 5.766 ( -0.920 -0.000 -1.755) 1.981 6.101 ( 0.424 0.000 3.450) 3.476 6.117 ( -7.099 -0.000 4.508) 8.410 6.156 ( 1.163 0.000 0.114) 1.169 6.377 ( -1.144 -0.000 0.254) 1.172 6.643 ( -5.649 -0.000 1.111) 5.757 6.799 ( 1.350 0.000 -6.225) 6.370 6.856 ( -1.797 -0.000 10.336) 10.491 7.152 ( -1.439 -0.000 3.984) 4.236 7.449 ( -2.466 -0.000 -0.389) 2.497 7.782 ( 3.717 0.000 -6.900) 7.837 8.061 ( 5.955 0.000 6.112) 8.533 ======================= Grid point 62 (43/324) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 12.600 -1.539 8.622) 15.345 1.347 ( 17.891 -8.809 14.250) 24.510 1.835 ( -6.882 -4.517 -16.334) 18.291 1.943 ( 9.422 -11.360 18.267) 23.484 2.116 ( -5.286 -12.777 -3.726) 14.320 2.577 ( -6.993 -9.908 -5.520) 13.324 3.028 ( -6.905 -2.062 -16.819) 18.298 3.238 ( 1.883 3.111 3.610) 5.124 3.381 ( 2.996 -8.728 5.024) 10.507 3.490 ( 0.809 0.254 7.789) 7.835 4.034 ( 0.531 1.511 1.414) 2.137 4.380 ( -0.789 -6.759 -0.711) 6.842 4.466 ( -0.433 -0.090 -2.799) 2.833 4.657 ( 0.054 2.807 0.108) 2.810 4.951 ( -1.180 -3.097 -2.173) 3.963 5.006 ( 1.567 -0.342 0.408) 1.655 5.170 ( -1.566 -7.562 2.371) 8.078 5.457 ( 0.647 -2.184 -6.400) 6.794 5.758 ( 0.482 0.047 -2.542) 2.588 6.022 ( -5.169 6.025 4.132) 8.950 6.104 ( -2.484 0.501 2.583) 3.618 6.172 ( 0.918 -0.048 0.644) 1.123 6.349 ( -2.072 2.415 -0.348) 3.201 6.644 ( -3.028 -1.573 2.234) 4.079 6.783 ( 1.765 0.736 -4.218) 4.631 6.877 ( -0.685 -0.635 6.971) 7.033 7.076 ( 0.514 7.762 4.187) 8.834 7.369 ( -3.814 5.821 -1.996) 7.240 7.770 ( 5.131 0.993 -4.862) 7.138 8.054 ( 5.387 4.833 5.374) 9.015 ======================= Grid point 63 (44/324) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 11.239 -8.941 9.815) 17.395 1.618 ( 14.848 -7.750 15.469) 22.799 1.871 ( -10.379 -9.282 -14.847) 20.354 2.306 ( 3.227 -16.384 -8.016) 18.523 2.401 ( -2.099 -19.175 6.884) 20.481 2.727 ( -5.180 -11.188 0.130) 12.329 3.116 ( -3.955 -11.506 -10.497) 16.069 3.193 ( -0.215 0.943 0.184) 0.984 3.456 ( 1.552 1.441 5.901) 6.270 3.644 ( 2.068 -11.961 4.516) 12.951 4.028 ( 0.668 -0.211 1.206) 1.395 4.465 ( 0.022 -0.723 -2.147) 2.265 4.503 ( -0.237 -6.650 -1.793) 6.892 4.613 ( 0.757 1.723 1.032) 2.146 4.997 ( -0.684 -2.615 -1.550) 3.116 5.051 ( 1.636 -3.332 1.708) 4.086 5.338 ( -2.471 -8.779 6.521) 11.212 5.498 ( 1.165 -4.259 -10.581) 11.465 5.754 ( 2.392 0.841 -0.717) 2.635 5.883 ( -4.372 6.674 1.942) 8.212 6.083 ( -5.618 0.249 3.054) 6.399 6.171 ( 2.053 1.023 -0.259) 2.308 6.263 ( -3.527 4.345 -2.230) 6.024 6.659 ( 0.084 0.656 2.822) 2.899 6.782 ( 0.561 -0.705 -0.367) 0.973 6.870 ( -1.218 4.542 -2.584) 5.366 6.966 ( 3.276 2.758 7.984) 9.060 7.213 ( -3.496 7.744 -2.345) 8.815 7.771 ( 4.439 0.396 -3.008) 5.377 7.968 ( 4.332 7.787 3.832) 9.700 ======================= Grid point 64 (45/324) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 9.196 -11.494 9.400) 17.465 1.873 ( 7.743 -10.901 5.943) 14.632 2.023 ( -6.110 -13.773 -5.233) 15.950 2.484 ( -3.217 -8.558 -15.500) 17.995 2.756 ( -2.915 -15.738 2.111) 16.144 3.029 ( -2.108 -17.067 6.870) 18.518 3.142 ( 1.329 -2.169 1.986) 3.227 3.332 ( -0.162 -7.422 -4.545) 8.705 3.505 ( -1.277 -8.881 -2.017) 9.196 3.875 ( 2.666 -8.733 5.960) 10.904 4.052 ( -0.813 -2.418 -0.832) 2.684 4.482 ( 0.375 -1.313 -0.802) 1.584 4.603 ( 2.751 -1.385 0.545) 3.128 4.631 ( 0.323 -5.361 0.890) 5.444 5.038 ( 0.095 -2.161 -0.086) 2.164 5.141 ( 0.688 -4.879 1.651) 5.196 5.450 ( -1.821 -2.996 1.085) 3.670 5.591 ( -0.892 -5.692 -4.802) 7.500 5.721 ( 3.058 5.754 3.060) 7.199 5.778 ( -0.749 0.525 -1.512) 1.767 6.067 ( -7.389 -1.433 1.229) 7.627 6.111 ( -0.215 4.920 -3.638) 6.123 6.212 ( -1.163 -0.970 -0.511) 1.598 6.631 ( 0.888 2.806 1.700) 3.399 6.715 ( -0.710 6.877 -2.216) 7.260 6.820 ( -0.609 0.050 1.626) 1.737 6.980 ( 1.206 1.571 1.980) 2.801 7.071 ( -0.474 3.607 0.788) 3.722 7.774 ( 2.237 1.116 0.538) 2.557 7.837 ( 3.694 7.913 -0.172) 8.735 ======================= Grid point 65 (46/324) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 4.415 -8.806 5.202) 11.140 2.147 ( 2.713 -14.950 -0.599) 15.206 2.278 ( -0.471 -14.485 1.656) 14.587 2.591 ( -5.395 -9.499 -10.514) 15.162 2.938 ( 0.875 -3.578 -0.797) 3.768 3.082 ( -3.164 0.086 1.591) 3.542 3.456 ( 0.629 -9.966 0.035) 9.985 3.485 ( 2.787 -18.643 5.865) 19.741 3.713 ( -2.576 -12.467 -5.415) 13.834 3.985 ( 2.814 0.270 6.091) 6.715 4.117 ( -2.492 -5.619 -3.054) 6.863 4.509 ( 0.453 -1.139 0.381) 1.284 4.648 ( 1.309 -2.290 1.367) 2.971 4.746 ( 2.167 -4.861 1.673) 5.578 5.085 ( 0.779 -2.800 0.973) 3.065 5.236 ( -0.302 -4.575 0.162) 4.588 5.482 ( 2.953 -0.176 -2.771) 4.053 5.566 ( -2.459 4.127 3.279) 5.816 5.614 ( -3.486 4.771 -3.073) 6.660 5.881 ( 3.312 -7.683 1.327) 8.471 6.013 ( -0.052 4.052 -2.629) 4.830 6.087 ( -5.999 -3.926 -2.080) 7.465 6.243 ( -0.192 -2.178 0.563) 2.258 6.569 ( -0.495 5.739 -1.093) 5.863 6.606 ( 0.640 2.248 0.382) 2.368 6.744 ( -2.051 6.843 0.300) 7.150 6.968 ( 0.936 -1.039 1.147) 1.808 7.073 ( 1.001 -0.624 1.622) 2.005 7.684 ( 1.005 7.621 3.361) 8.390 7.786 ( 2.283 0.488 -3.342) 4.077 ======================= Grid point 66 (47/324) ======================= q-point: ( 0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.862 -6.319 1.388) 6.527 2.437 ( 1.217 -14.286 -0.770) 14.359 2.542 ( 0.339 -12.750 0.997) 12.793 2.742 ( -3.330 -10.308 -3.463) 11.373 2.932 ( 1.295 3.144 -1.051) 3.559 3.087 ( -1.284 -1.876 0.439) 2.315 3.672 ( 0.324 -11.799 -0.096) 11.804 3.811 ( 2.775 -11.386 5.331) 12.875 3.883 ( -1.836 -7.455 -3.327) 8.368 3.946 ( 0.478 5.124 0.938) 5.231 4.217 ( -1.306 -7.315 -0.812) 7.475 4.519 ( 0.349 0.672 0.684) 1.020 4.689 ( 0.316 -0.854 0.338) 0.971 4.827 ( 0.904 -2.208 1.552) 2.846 5.154 ( 0.603 -3.572 0.652) 3.681 5.298 ( 0.393 -1.550 -1.439) 2.151 5.396 ( 1.721 7.692 0.675) 7.911 5.527 ( -2.235 0.097 -1.506) 2.697 5.593 ( -1.421 -5.203 -0.171) 5.396 5.929 ( -0.302 3.430 -1.177) 3.639 6.024 ( 0.742 -4.152 0.626) 4.264 6.145 ( -1.286 -4.213 -0.771) 4.472 6.292 ( -0.174 -3.143 0.309) 3.163 6.437 ( -0.200 7.017 -0.698) 7.054 6.593 ( 1.515 5.241 1.045) 5.555 6.630 ( -2.046 -0.907 -0.668) 2.336 7.001 ( 0.582 -1.157 0.836) 1.541 7.082 ( 0.043 0.202 0.364) 0.418 7.571 ( 0.453 5.042 1.125) 5.186 7.775 ( 0.804 1.003 -1.181) 1.746 ======================= Grid point 67 (48/324) ======================= q-point: ( 0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.000 -4.633 -0.000) 4.633 2.677 ( 0.000 -10.965 -0.000) 10.965 2.713 ( 0.000 -1.785 -0.000) 1.785 2.899 ( 0.000 -3.050 -0.000) 3.050 2.902 ( 0.000 -7.198 -0.000) 7.198 3.147 ( 0.000 -4.695 -0.000) 4.695 3.762 ( -0.000 10.186 0.000) 10.186 3.882 ( 0.000 -5.815 -0.000) 5.815 3.937 ( 0.000 -1.079 -0.000) 1.079 3.999 ( 0.000 -5.954 -0.000) 5.954 4.379 ( 0.000 -8.409 -0.000) 8.409 4.494 ( -0.000 1.463 0.000) 1.463 4.677 ( -0.000 2.005 0.000) 2.005 4.834 ( -0.000 1.978 0.000) 1.978 5.214 ( 0.000 -2.319 -0.000) 2.319 5.279 ( -0.000 2.676 0.000) 2.676 5.294 ( -0.000 2.880 0.000) 2.880 5.584 ( 0.000 -5.934 -0.000) 5.934 5.713 ( 0.000 -7.440 -0.000) 7.440 5.879 ( -0.000 1.074 0.000) 1.074 6.049 ( -0.000 1.106 0.000) 1.106 6.187 ( -0.000 1.276 0.000) 1.276 6.335 ( -0.000 2.048 0.000) 2.048 6.364 ( 0.000 -4.066 -0.000) 4.066 6.479 ( -0.000 5.886 0.000) 5.886 6.682 ( 0.000 -2.988 -0.000) 2.988 7.012 ( -0.000 0.329 0.000) 0.329 7.081 ( 0.000 -0.458 -0.000) 0.458 7.506 ( -0.000 2.226 0.000) 2.226 7.746 ( -0.000 2.218 0.000) 2.218 ======================= Grid point 77 (49/324) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 8.816 0.000 6.202) 10.779 1.342 ( 17.465 0.000 8.814) 19.563 1.732 ( -4.881 -0.000 -15.302) 16.061 1.932 ( -7.399 -0.000 -3.373) 8.131 2.001 ( 14.132 0.000 29.290) 32.521 2.403 ( -8.058 -0.000 -7.834) 11.238 2.942 ( -8.056 -0.000 -21.300) 22.772 3.299 ( 3.783 0.000 5.003) 6.272 3.300 ( 1.715 0.000 4.028) 4.378 3.525 ( 0.551 0.000 7.402) 7.422 4.056 ( -0.797 -0.000 0.364) 0.876 4.306 ( 0.373 0.000 0.985) 1.053 4.454 ( -0.980 -0.000 -2.893) 3.055 4.688 ( -0.428 -0.000 0.155) 0.455 4.910 ( -0.639 -0.000 -1.317) 1.464 5.008 ( 0.710 0.000 -0.526) 0.883 5.084 ( -0.968 -0.000 -0.048) 0.969 5.424 ( -0.747 -0.000 -3.864) 3.935 5.754 ( 2.710 0.000 -4.501) 5.254 6.051 ( -11.264 -0.000 4.948) 12.303 6.136 ( 2.652 0.000 2.850) 3.893 6.168 ( 1.080 0.000 0.120) 1.087 6.367 ( -1.056 -0.000 0.180) 1.072 6.613 ( -2.773 -0.000 1.620) 3.211 6.791 ( 2.981 0.000 -4.198) 5.148 6.887 ( -1.047 -0.000 5.881) 5.973 7.162 ( -0.857 -0.000 4.952) 5.026 7.403 ( -5.067 -0.000 -2.726) 5.754 7.789 ( 3.630 0.000 -4.376) 5.685 8.139 ( 4.669 0.000 4.448) 6.448 ======================= Grid point 78 (50/324) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 8.644 -3.420 7.276) 11.805 1.574 ( 15.918 -10.377 9.236) 21.128 1.671 ( -7.851 -2.086 -12.237) 14.688 2.070 ( -0.468 -14.702 -3.069) 15.026 2.101 ( 1.351 -3.310 12.903) 13.389 2.514 ( -2.954 -11.723 3.550) 12.600 2.867 ( -6.236 -4.192 -20.076) 21.436 3.273 ( 1.356 3.961 3.371) 5.375 3.432 ( 2.467 -9.392 3.706) 10.394 3.528 ( 0.253 1.223 4.944) 5.099 4.041 ( -0.027 0.772 0.575) 0.963 4.372 ( -0.327 -5.753 -0.419) 5.778 4.447 ( -0.867 -0.530 -2.174) 2.400 4.659 ( 0.127 2.321 0.171) 2.331 4.932 ( -0.766 -2.638 -1.569) 3.164 5.022 ( 1.331 -1.386 0.401) 1.963 5.169 ( -1.182 -8.340 2.236) 8.715 5.423 ( -1.211 -1.477 -5.058) 5.406 5.763 ( 4.851 -0.164 -4.417) 6.563 5.972 ( -10.064 3.859 4.554) 11.701 6.107 ( 0.791 3.114 1.597) 3.588 6.183 ( 0.539 -0.028 0.554) 0.773 6.331 ( -1.325 3.370 -0.312) 3.635 6.639 ( -1.242 -2.806 2.366) 3.875 6.791 ( 3.359 0.792 -2.005) 3.991 6.890 ( -1.531 0.290 1.728) 2.327 7.110 ( 1.302 6.266 6.342) 9.010 7.311 ( -4.852 5.436 -4.004) 8.314 7.790 ( 3.236 0.398 -2.849) 4.330 8.121 ( 3.671 4.964 3.384) 7.041 ======================= Grid point 79 (51/324) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 11.185 -9.148 11.500) 18.467 1.675 ( -9.427 -8.507 -15.103) 19.732 1.856 ( 12.489 -6.730 16.571) 21.814 2.238 ( -5.399 -11.378 -13.780) 18.668 2.408 ( -1.252 -19.353 2.999) 19.624 2.724 ( -0.840 -12.462 7.204) 14.419 3.020 ( -2.612 -16.748 -11.410) 20.433 3.201 ( 0.005 4.009 1.668) 4.343 3.491 ( 0.826 2.249 3.147) 3.955 3.678 ( 1.145 -12.671 2.447) 12.956 4.037 ( 0.334 -0.041 0.601) 0.689 4.455 ( -0.100 -1.298 -1.527) 2.007 4.496 ( -0.020 -7.255 -0.634) 7.282 4.626 ( 0.660 1.222 0.921) 1.666 4.981 ( -0.637 -3.204 -1.404) 3.556 5.077 ( 1.629 -3.255 1.429) 3.910 5.353 ( -2.036 -8.846 7.929) 12.053 5.445 ( -0.360 -4.159 -10.320) 11.133 5.780 ( 5.626 0.027 -3.849) 6.816 5.855 ( -5.316 5.458 3.993) 8.602 6.047 ( -3.977 2.629 1.622) 5.035 6.184 ( 0.785 0.219 -0.040) 0.816 6.230 ( -1.481 5.803 -1.216) 6.111 6.683 ( 0.912 -0.035 3.431) 3.550 6.787 ( 1.420 0.606 -0.812) 1.744 6.839 ( -2.148 3.995 -2.471) 5.165 7.035 ( 3.506 3.245 6.364) 7.957 7.163 ( -3.838 6.530 -3.492) 8.341 7.791 ( 2.165 0.307 -1.513) 2.659 8.015 ( 2.402 8.179 1.939) 8.742 ======================= Grid point 80 (52/324) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 6.578 -8.009 7.034) 12.525 1.839 ( -5.246 -16.147 -7.477) 18.551 2.076 ( 6.135 -9.006 9.231) 14.282 2.363 ( -5.217 -9.280 -10.699) 15.093 2.750 ( -0.249 -15.593 0.583) 15.606 3.035 ( -1.592 -11.949 2.923) 12.404 3.171 ( 1.574 -6.993 2.159) 7.486 3.299 ( -0.847 -12.074 -3.930) 12.725 3.496 ( -0.145 -4.661 -0.067) 4.664 3.915 ( 0.979 -10.640 2.325) 10.935 4.041 ( -0.447 -0.168 -0.640) 0.798 4.481 ( 0.073 -1.716 -0.375) 1.758 4.626 ( 1.393 -1.102 0.033) 1.777 4.639 ( 0.059 -6.930 0.877) 6.985 5.035 ( -0.080 -2.966 -0.323) 2.984 5.156 ( 0.584 -4.051 0.930) 4.197 5.438 ( -1.079 -2.364 0.353) 2.622 5.565 ( -0.523 -6.250 -1.770) 6.517 5.730 ( -0.972 6.810 0.531) 6.899 5.803 ( 3.924 -1.194 -0.308) 4.113 6.003 ( -4.922 -0.864 0.181) 5.001 6.100 ( 0.026 5.836 -0.992) 5.920 6.206 ( -0.162 -1.555 -0.040) 1.564 6.654 ( 1.271 3.919 2.282) 4.710 6.692 ( -1.185 5.980 -2.530) 6.600 6.822 ( -0.282 0.668 0.583) 0.930 6.995 ( 0.598 4.344 0.534) 4.417 7.072 ( -0.203 0.098 0.464) 0.516 7.790 ( 0.754 0.334 0.191) 0.847 7.860 ( 1.270 9.100 -0.076) 9.188 ======================= Grid point 81 (53/324) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 -7.028 -0.000) 7.028 2.145 ( 0.000 -16.860 -0.000) 16.860 2.303 ( 0.000 -12.346 -0.000) 12.346 2.524 ( 0.000 -10.701 -0.000) 10.701 2.943 ( 0.000 -3.958 -0.000) 3.958 3.069 ( -0.000 0.177 0.000) 0.177 3.459 ( 0.000 -9.429 -0.000) 9.429 3.518 ( 0.000 -19.885 -0.000) 19.885 3.682 ( 0.000 -11.815 -0.000) 11.815 4.021 ( -0.000 1.999 0.000) 1.999 4.090 ( 0.000 -7.026 -0.000) 7.026 4.512 ( 0.000 -1.365 -0.000) 1.365 4.658 ( 0.000 -2.052 -0.000) 2.052 4.762 ( 0.000 -5.211 -0.000) 5.211 5.092 ( 0.000 -3.173 -0.000) 3.173 5.235 ( 0.000 -4.082 -0.000) 4.082 5.490 ( 0.000 -3.034 -0.000) 3.034 5.570 ( -0.000 3.489 0.000) 3.489 5.579 ( -0.000 8.237 0.000) 8.237 5.905 ( 0.000 -7.128 -0.000) 7.128 6.007 ( -0.000 4.076 0.000) 4.076 6.048 ( 0.000 -4.623 -0.000) 4.623 6.243 ( 0.000 -2.246 -0.000) 2.246 6.563 ( -0.000 6.190 0.000) 6.190 6.610 ( -0.000 1.642 0.000) 1.642 6.735 ( -0.000 7.192 0.000) 7.192 6.976 ( 0.000 -1.304 -0.000) 1.304 7.082 ( 0.000 -0.397 -0.000) 0.397 7.698 ( -0.000 7.947 0.000) 7.947 7.787 ( -0.000 0.377 0.000) 0.377 ======================= Grid point 93 (54/324) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.977 0.000 1.493) 2.478 1.523 ( 12.182 0.000 5.146) 13.224 1.656 ( 0.326 0.000 -6.523) 6.532 1.862 ( -5.041 -0.000 -0.561) 5.072 2.249 ( 8.575 0.000 23.477) 24.994 2.295 ( -6.283 -0.000 -5.939) 8.646 2.768 ( -5.726 -0.000 -19.464) 20.289 3.332 ( 1.259 0.000 2.539) 2.834 3.346 ( 1.954 0.000 2.543) 3.207 3.557 ( 0.075 0.000 3.863) 3.864 4.047 ( -0.789 -0.000 -0.181) 0.809 4.314 ( 0.258 0.000 0.628) 0.679 4.431 ( -0.935 -0.000 -1.841) 2.065 4.684 ( -0.355 -0.000 -0.062) 0.360 4.900 ( -0.293 -0.000 -0.668) 0.729 5.011 ( 0.387 0.000 -0.291) 0.484 5.077 ( -0.552 -0.000 0.027) 0.553 5.397 ( -1.274 -0.000 -2.177) 2.522 5.779 ( 7.273 0.000 -4.328) 8.464 5.960 ( -11.922 -0.000 3.517) 12.430 6.174 ( 1.992 0.000 2.318) 3.056 6.177 ( 0.675 0.000 0.079) 0.679 6.360 ( -0.658 -0.000 0.090) 0.664 6.598 ( -1.498 -0.000 0.461) 1.567 6.815 ( 4.405 0.000 -0.808) 4.478 6.889 ( -2.454 -0.000 1.276) 2.766 7.194 ( 1.350 0.000 6.647) 6.782 7.332 ( -5.245 -0.000 -5.111) 7.323 7.800 ( 2.104 0.000 -1.996) 2.900 8.192 ( 2.543 0.000 2.328) 3.447 ======================= Grid point 94 (55/324) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 3.424 -8.640 3.733) 10.015 1.555 ( -2.992 3.661 -6.902) 8.366 1.749 ( 8.178 -15.111 6.261) 18.287 2.060 ( -0.748 -17.083 0.577) 17.109 2.106 ( -3.140 5.451 -1.057) 6.379 2.572 ( 2.476 -12.594 16.273) 20.726 2.711 ( -4.340 -5.136 -19.881) 20.988 3.295 ( 0.542 4.407 1.291) 4.624 3.462 ( 0.952 -9.868 1.350) 10.006 3.546 ( 0.002 1.832 1.685) 2.489 4.041 ( -0.103 0.184 0.112) 0.239 4.369 ( -0.058 -5.264 -0.131) 5.266 4.431 ( -0.494 -0.767 -0.867) 1.259 4.661 ( 0.065 1.858 0.085) 1.861 4.921 ( -0.262 -2.303 -0.571) 2.388 5.033 ( 0.551 -2.143 0.159) 2.218 5.170 ( -0.442 -9.043 1.021) 9.111 5.392 ( -0.842 -0.583 -2.047) 2.289 5.805 ( 7.865 0.148 -3.837) 8.752 5.893 ( -9.863 2.160 3.581) 10.713 6.124 ( 0.795 4.637 0.743) 4.763 6.187 ( -0.013 0.201 0.194) 0.280 6.322 ( -0.411 3.733 -0.133) 3.758 6.639 ( -0.443 -3.866 0.770) 3.967 6.824 ( 3.993 1.254 0.636) 4.233 6.868 ( -3.171 1.034 -1.039) 3.493 7.166 ( 3.128 5.500 6.860) 9.333 7.240 ( -4.474 4.788 -5.746) 8.716 7.801 ( 1.109 0.268 -0.917) 1.464 8.156 ( 1.293 5.027 1.152) 5.317 ======================= Grid point 95 (56/324) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 -16.155 -0.000) 16.155 1.512 ( 0.000 -2.188 -0.000) 2.188 2.028 ( 0.000 -0.337 -0.000) 0.337 2.109 ( 0.000 -15.422 -0.000) 15.422 2.411 ( 0.000 -19.296 -0.000) 19.296 2.746 ( 0.000 -11.422 -0.000) 11.422 2.973 ( 0.000 -19.050 -0.000) 19.050 3.206 ( -0.000 4.580 0.000) 4.580 3.503 ( -0.000 2.459 0.000) 2.459 3.689 ( 0.000 -12.850 -0.000) 12.850 4.040 ( 0.000 -0.006 -0.000) 0.006 4.450 ( 0.000 -1.416 -0.000) 1.416 4.495 ( 0.000 -7.666 -0.000) 7.666 4.632 ( -0.000 0.986 0.000) 0.986 4.974 ( 0.000 -3.271 -0.000) 3.271 5.089 ( 0.000 -3.419 -0.000) 3.419 5.375 ( 0.000 -11.580 -0.000) 11.580 5.403 ( 0.000 -1.291 -0.000) 1.291 5.818 ( -0.000 3.263 0.000) 3.263 5.820 ( -0.000 0.574 0.000) 0.574 6.032 ( -0.000 4.486 0.000) 4.486 6.187 ( 0.000 -0.264 -0.000) 0.264 6.221 ( -0.000 6.376 0.000) 6.376 6.699 ( 0.000 -1.061 -0.000) 1.061 6.799 ( -0.000 5.236 0.000) 5.236 6.814 ( -0.000 0.436 0.000) 0.436 7.089 ( -0.000 3.173 0.000) 3.173 7.115 ( -0.000 6.319 0.000) 6.319 7.797 ( -0.000 0.287 0.000) 0.287 8.032 ( -0.000 8.317 0.000) 8.317 ======================= Grid point 110 (57/324) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 0.000 0.000) 0.000 1.601 ( -0.000 -0.000 0.000) 0.000 1.646 ( 0.000 0.000 -0.000) 0.000 1.835 ( 0.000 0.000 -0.000) 0.000 2.245 ( 0.000 0.000 0.000) 0.000 2.368 ( 0.000 0.000 -0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 -0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 -0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.074 ( 0.000 0.000 -0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 -0.000) 0.000 5.890 ( -0.000 -0.000 0.000) 0.000 6.180 ( -0.000 -0.000 -0.000) 0.000 6.191 ( 0.000 0.000 -0.000) 0.000 6.356 ( 0.000 0.000 -0.000) 0.000 6.592 ( 0.000 0.000 0.000) 0.000 6.857 ( -0.000 -0.000 -0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 0.000) 0.000 7.265 ( 0.000 0.000 -0.000) 0.000 7.805 ( 0.000 0.000 -0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 205 (58/324) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 7.803 0.000 19.986) 21.455 0.408 ( -0.881 -0.000 21.695) 21.713 0.847 ( 11.890 0.000 43.743) 45.330 2.390 ( -7.773 -0.000 -11.686) 14.035 2.403 ( -8.841 -0.000 -23.300) 24.920 2.646 ( 3.900 0.000 -2.984) 4.911 3.012 ( 1.977 0.000 10.377) 10.563 3.150 ( 1.747 0.000 5.909) 6.162 3.246 ( 6.347 0.000 11.938) 13.520 3.559 ( -8.543 -0.000 -16.231) 18.342 3.984 ( 5.502 0.000 5.602) 7.852 4.289 ( 0.092 0.000 0.839) 0.844 4.500 ( -0.179 -0.000 -2.396) 2.403 4.683 ( 0.427 0.000 0.699) 0.819 4.971 ( 0.407 0.000 -1.191) 1.259 4.977 ( -1.224 -0.000 -0.866) 1.499 5.141 ( -3.550 -0.000 -1.825) 3.992 5.351 ( 2.805 0.000 -8.003) 8.480 5.824 ( 0.091 0.000 1.405) 1.408 6.130 ( -0.015 -0.000 0.063) 0.064 6.136 ( 1.627 0.000 12.086) 12.195 6.386 ( -7.644 -0.000 -0.654) 7.672 6.401 ( 0.102 0.000 0.260) 0.279 6.726 ( 7.747 0.000 -5.103) 9.277 6.840 ( 19.215 0.000 0.708) 19.228 6.882 ( 1.097 0.000 -0.610) 1.256 7.202 ( -0.633 -0.000 -0.464) 0.785 7.515 ( -8.276 -0.000 0.025) 8.276 7.658 ( 4.407 0.000 0.028) 4.407 7.829 ( 1.208 0.000 2.500) 2.776 ======================= Grid point 206 (59/324) ======================= q-point: ( 0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 0.081 -11.658 17.349) 20.902 0.782 ( 5.730 -17.760 18.663) 26.393 1.229 ( 14.330 -24.917 27.475) 39.763 2.297 ( -9.179 -1.286 -20.324) 22.338 2.431 ( -8.732 -9.119 -12.576) 17.820 2.737 ( 2.713 -7.880 -2.195) 8.618 3.079 ( 1.717 -3.540 7.342) 8.329 3.211 ( 1.907 -3.792 4.777) 6.390 3.284 ( 4.631 1.762 7.910) 9.334 3.513 ( -6.623 -3.937 -11.363) 13.729 3.952 ( 3.657 2.853 4.630) 6.553 4.442 ( -1.075 -8.606 -3.728) 9.441 4.482 ( -0.947 -0.234 -2.813) 2.977 4.666 ( -0.690 2.265 0.620) 2.448 4.951 ( 0.887 1.172 -1.060) 1.812 5.013 ( -1.293 -4.037 -0.974) 4.349 5.194 ( -0.084 -6.074 -1.849) 6.350 5.358 ( 2.761 -1.250 -6.368) 7.052 5.806 ( -0.278 1.942 6.488) 6.778 6.072 ( 3.219 3.508 2.986) 5.620 6.171 ( -0.912 0.999 7.204) 7.330 6.293 ( -6.799 3.676 0.093) 7.730 6.447 ( -3.337 -3.360 -1.501) 4.967 6.721 ( 1.694 0.919 -5.833) 6.143 6.837 ( 8.793 8.028 3.768) 12.489 6.861 ( 3.473 1.845 -0.504) 3.965 7.162 ( -10.914 12.615 14.205) 21.910 7.222 ( 7.720 1.252 -0.423) 7.832 7.609 ( -1.204 3.917 -0.117) 4.099 7.814 ( 5.398 3.513 2.337) 6.852 ======================= Grid point 207 (60/324) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.851 -14.667 14.269) 20.480 1.182 ( 3.467 -18.874 14.985) 24.348 1.905 ( 10.016 -31.005 8.677) 33.718 2.274 ( -7.167 -6.242 -16.061) 18.662 2.551 ( -6.446 -10.056 -7.085) 13.888 2.920 ( 1.459 -10.151 -0.319) 10.260 3.154 ( -0.165 -1.147 2.561) 2.811 3.280 ( 1.751 0.371 3.042) 3.529 3.357 ( 0.820 -10.679 0.525) 10.723 3.596 ( -2.231 -7.966 -1.140) 8.351 3.960 ( 2.800 -1.200 2.553) 3.975 4.452 ( 0.320 0.615 -1.655) 1.795 4.569 ( -3.254 -3.416 -4.976) 6.857 4.619 ( -0.782 0.023 0.545) 0.953 4.952 ( 1.953 -0.813 1.055) 2.364 5.090 ( -1.622 -4.704 0.437) 4.995 5.312 ( 4.119 -4.821 -7.044) 9.477 5.399 ( 0.384 -4.328 -0.193) 4.350 5.793 ( -1.294 1.334 8.013) 8.225 6.043 ( 2.052 1.179 -3.853) 4.522 6.156 ( -2.465 1.927 7.971) 8.563 6.191 ( -3.790 3.734 0.642) 5.359 6.471 ( -5.762 -1.631 -4.002) 7.203 6.681 ( 2.104 2.568 -5.315) 6.267 6.726 ( 4.132 7.358 5.819) 10.250 6.837 ( 0.216 1.161 0.810) 1.432 7.022 ( -3.604 3.576 6.746) 8.443 7.239 ( 2.492 1.068 -0.592) 2.775 7.528 ( 1.236 3.503 -1.043) 3.858 7.757 ( 5.638 5.858 2.446) 8.490 ======================= Grid point 208 (61/324) ======================= q-point: ( 0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 1.059 -17.079 9.607) 19.624 1.598 ( 1.182 -20.582 8.782) 22.409 2.281 ( -4.226 -10.073 -12.010) 16.235 2.472 ( 1.758 -13.677 -11.471) 17.937 2.796 ( 1.355 -19.279 9.564) 21.563 3.104 ( 1.089 -7.202 3.010) 7.882 3.157 ( -1.064 -0.170 0.200) 1.096 3.313 ( 0.218 -4.551 1.243) 4.723 3.599 ( -1.999 -14.506 -6.243) 15.918 3.739 ( 1.435 -5.648 6.288) 8.573 4.040 ( 1.865 -5.550 0.407) 5.869 4.453 ( 0.706 -0.850 -0.002) 1.105 4.541 ( -0.974 1.106 0.014) 1.474 4.663 ( -1.640 -2.835 -2.749) 4.276 5.000 ( 1.791 -2.325 2.420) 3.804 5.178 ( -1.329 -5.201 2.054) 5.748 5.348 ( 4.244 -0.269 -9.001) 9.955 5.532 ( 0.756 -7.611 1.418) 7.779 5.769 ( -3.025 2.086 4.267) 5.631 6.012 ( -1.363 1.349 -4.466) 4.860 6.068 ( -4.906 4.427 2.277) 6.989 6.191 ( 2.068 -1.604 4.160) 4.915 6.419 ( -6.693 2.313 -5.642) 9.054 6.612 ( 5.793 6.402 1.761) 8.812 6.654 ( -1.979 1.582 -2.292) 3.417 6.838 ( -0.107 -0.942 3.151) 3.291 6.978 ( 3.188 3.361 3.520) 5.818 7.179 ( -9.082 2.609 0.390) 9.457 7.514 ( 7.949 0.171 -1.889) 8.172 7.669 ( 4.752 6.431 2.240) 8.304 ======================= Grid point 209 (62/324) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.526 -15.749 5.743) 16.772 2.000 ( -0.260 -20.008 3.435) 20.302 2.422 ( -2.800 -9.863 -6.046) 11.903 2.630 ( 1.249 -8.428 -12.444) 15.081 3.023 ( -0.188 0.029 0.981) 1.000 3.153 ( -0.208 0.473 1.352) 1.447 3.357 ( 2.757 -17.667 8.177) 19.662 3.487 ( -1.977 -12.696 -0.755) 12.871 3.808 ( 0.761 -6.185 2.356) 6.663 3.855 ( -0.182 -7.647 0.665) 7.678 4.161 ( 1.485 -6.022 -2.076) 6.540 4.480 ( 0.595 -0.690 2.452) 2.616 4.557 ( 1.178 -2.921 1.919) 3.688 4.689 ( 0.028 -1.068 -0.381) 1.135 5.055 ( 0.436 -2.431 1.765) 3.035 5.278 ( 0.197 -4.131 2.853) 5.024 5.340 ( 1.541 -0.282 -7.574) 7.734 5.654 ( 0.997 -3.802 -1.719) 4.290 5.708 ( -4.312 2.335 -0.759) 4.962 5.973 ( 0.498 1.655 -1.532) 2.310 5.989 ( -4.897 0.974 1.676) 5.267 6.261 ( 0.910 -3.540 1.868) 4.105 6.320 ( -4.698 3.293 -4.282) 7.159 6.527 ( 3.341 5.185 0.550) 6.193 6.591 ( -0.664 4.353 -1.191) 4.561 6.882 ( -0.023 -2.044 3.915) 4.416 6.907 ( 2.264 5.954 1.315) 6.504 7.123 ( -9.774 -1.912 1.021) 10.012 7.550 ( 8.407 1.944 0.154) 8.630 7.592 ( 3.812 2.402 -0.415) 4.525 ======================= Grid point 210 (63/324) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -0.836 -11.023 2.893) 11.427 2.354 ( -0.052 -16.913 -0.797) 16.932 2.594 ( -1.297 -10.073 0.003) 10.156 2.758 ( 2.761 -6.141 -7.620) 10.168 2.990 ( -1.385 0.199 -4.415) 4.631 3.143 ( -1.243 0.254 0.223) 1.288 3.648 ( 1.502 -9.634 5.613) 11.250 3.711 ( 0.511 -9.744 0.777) 9.788 3.860 ( 1.288 0.431 8.468) 8.576 3.996 ( -2.630 -5.711 -5.310) 8.230 4.287 ( 0.684 -8.274 -2.147) 8.576 4.487 ( 0.681 1.073 3.193) 3.436 4.645 ( 2.013 -3.609 1.240) 4.315 4.712 ( 2.634 -0.855 3.581) 4.527 5.116 ( 0.279 -3.608 1.367) 3.869 5.295 ( 1.847 1.063 -5.125) 5.550 5.347 ( -3.710 0.873 -0.469) 3.840 5.644 ( -2.781 -1.159 0.265) 3.025 5.715 ( -0.789 -2.364 -4.097) 4.796 5.909 ( 1.798 2.826 -5.392) 6.348 6.043 ( -3.065 -4.702 5.658) 7.970 6.231 ( -2.360 2.699 -0.894) 3.695 6.335 ( -0.596 -3.132 -0.890) 3.310 6.423 ( 0.964 7.698 -1.350) 7.875 6.506 ( 2.916 4.006 1.326) 5.129 6.801 ( -3.781 3.827 0.354) 5.391 6.940 ( 1.195 -2.053 3.330) 4.090 7.131 ( -5.001 -1.393 0.572) 5.223 7.512 ( 2.247 2.620 1.796) 3.891 7.623 ( 6.397 -1.233 -2.223) 6.883 ======================= Grid point 211 (64/324) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -1.516 -4.868 1.136) 5.224 2.606 ( 3.257 -7.847 0.131) 8.497 2.764 ( -3.239 -7.118 -2.286) 8.147 2.832 ( 0.758 -5.674 -3.757) 6.847 3.037 ( -0.439 -6.509 -3.672) 7.486 3.137 ( -0.599 -0.026 0.414) 0.729 3.694 ( 2.863 8.545 9.339) 12.978 3.851 ( 0.911 -5.557 1.564) 5.844 3.928 ( -0.293 -5.824 0.504) 5.853 4.014 ( -1.965 -0.213 -5.509) 5.853 4.426 ( 0.311 -3.793 -0.242) 3.813 4.476 ( -0.337 -0.511 1.875) 1.973 4.656 ( 0.525 2.113 -0.207) 2.187 4.802 ( 4.365 -3.999 4.704) 7.561 5.182 ( 0.775 -1.896 1.201) 2.374 5.243 ( -3.636 4.769 -1.468) 6.175 5.288 ( -0.608 -1.162 -6.288) 6.423 5.712 ( 0.084 -4.282 4.222) 6.013 5.745 ( -0.992 -2.449 -2.518) 3.650 5.895 ( -1.158 -3.550 -4.802) 6.083 6.071 ( -0.350 2.952 2.335) 3.780 6.227 ( -2.188 0.115 -1.447) 2.626 6.259 ( 1.598 4.492 2.287) 5.288 6.370 ( 0.354 0.588 -1.056) 1.260 6.473 ( 2.127 1.185 0.890) 2.592 6.733 ( -3.444 1.641 -0.012) 3.815 6.985 ( 1.079 -1.199 1.724) 2.361 7.115 ( -2.230 1.190 0.300) 2.545 7.492 ( 0.324 0.906 0.411) 1.046 7.672 ( 3.632 -1.738 -0.697) 4.086 ======================= Grid point 212 (65/324) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.148 0.771 0.392) 0.878 2.639 ( 0.624 3.128 -0.233) 3.198 2.855 ( -1.196 -5.552 -4.280) 7.112 2.975 ( -1.066 -6.794 -1.842) 7.119 3.123 ( -3.376 -0.754 0.534) 3.500 3.173 ( 4.054 -4.718 1.743) 6.460 3.499 ( 0.674 13.128 4.969) 14.053 3.897 ( 0.198 2.507 0.638) 2.594 3.978 ( -1.645 -0.011 -2.241) 2.780 4.033 ( 2.329 -3.022 -1.414) 4.069 4.425 ( 1.029 1.423 0.454) 1.814 4.500 ( 0.556 1.124 0.478) 1.342 4.612 ( 0.471 2.049 -0.819) 2.257 4.846 ( -1.664 1.731 1.471) 2.816 5.169 ( -0.691 1.173 -1.211) 1.822 5.206 ( 1.544 -1.040 0.772) 2.015 5.318 ( -1.343 -2.875 -4.486) 5.495 5.758 ( 0.976 -0.824 3.829) 4.036 5.830 ( -0.021 -5.612 2.281) 6.058 5.989 ( 0.550 5.236 -0.819) 5.328 6.004 ( -3.220 -8.677 -2.089) 9.488 6.097 ( 0.302 5.527 -1.779) 5.814 6.310 ( 1.110 1.303 2.371) 2.925 6.349 ( 0.373 -1.685 0.119) 1.730 6.473 ( -0.229 -0.001 0.255) 0.343 6.705 ( -0.462 0.315 -0.435) 0.708 6.989 ( 0.238 1.815 0.128) 1.834 7.089 ( 0.318 0.570 0.359) 0.745 7.474 ( 0.489 1.170 -0.772) 1.484 7.714 ( -0.816 -1.757 0.697) 2.059 ======================= Grid point 213 (66/324) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 2.370 6.822 0.242) 7.226 2.572 ( -2.720 2.694 -0.086) 3.830 2.862 ( 1.544 7.732 -2.447) 8.255 3.000 ( -0.296 2.669 3.062) 4.073 3.095 ( -3.097 1.707 -0.850) 3.637 3.274 ( 3.001 -2.622 5.314) 6.642 3.335 ( -1.278 1.807 -4.683) 5.180 3.783 ( 0.148 9.280 0.138) 9.282 3.912 ( -1.351 6.359 -0.657) 6.534 4.089 ( 2.856 -1.671 -0.905) 3.430 4.400 ( 0.007 2.986 -1.861) 3.519 4.446 ( 1.710 2.915 0.870) 3.490 4.584 ( 0.446 1.014 -0.564) 1.243 4.766 ( -4.215 4.509 0.914) 6.240 5.148 ( 0.698 1.524 0.153) 1.683 5.260 ( 1.879 -3.420 -1.827) 4.308 5.335 ( -1.151 -0.326 -1.422) 1.858 5.800 ( 1.732 -1.603 5.151) 5.666 5.869 ( 2.369 6.236 -0.697) 6.707 5.921 ( -1.548 -0.336 -1.173) 1.971 6.046 ( 0.965 -2.894 1.950) 3.621 6.153 ( -3.018 -5.865 -1.349) 6.733 6.302 ( 0.513 -3.075 0.178) 3.122 6.384 ( -0.388 -0.631 -0.229) 0.776 6.463 ( -1.384 0.600 0.763) 1.690 6.719 ( 1.920 -1.568 -0.513) 2.531 6.930 ( 0.315 4.080 0.262) 4.100 7.091 ( 2.879 0.601 -0.630) 3.008 7.455 ( 0.908 0.674 -0.796) 1.382 7.727 ( -5.201 -0.788 1.070) 5.368 ======================= Grid point 214 (67/324) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 2.054 13.232 0.962) 13.425 2.461 ( -3.030 14.504 2.534) 15.032 2.626 ( 2.848 8.082 0.686) 8.596 2.964 ( -0.071 2.453 0.360) 2.481 3.025 ( -3.367 3.681 -3.049) 5.847 3.284 ( -1.274 1.336 -10.354) 10.517 3.363 ( 1.379 -1.423 8.278) 8.512 3.548 ( 0.068 15.550 0.859) 15.573 3.743 ( -0.175 10.166 0.356) 10.174 4.105 ( 2.612 1.685 0.199) 3.115 4.279 ( 0.034 7.636 -2.737) 8.112 4.448 ( -0.467 -0.689 1.083) 1.366 4.586 ( 0.871 -1.641 -0.759) 2.007 4.661 ( -3.417 4.635 1.296) 5.902 5.114 ( 2.113 3.095 1.551) 4.056 5.256 ( -2.822 3.233 -3.041) 5.259 5.380 ( 3.073 -4.345 -0.224) 5.327 5.741 ( 2.435 7.483 -3.707) 8.698 5.839 ( 3.375 1.647 3.219) 4.946 5.898 ( -1.648 -0.289 2.212) 2.774 6.126 ( -2.396 -3.682 3.506) 5.621 6.248 ( 2.188 -4.459 -0.281) 4.975 6.333 ( -1.637 -0.252 -4.272) 4.582 6.411 ( -1.754 -1.209 0.259) 2.146 6.504 ( -1.452 -8.076 1.125) 8.282 6.771 ( 1.150 -2.926 -0.364) 3.164 6.850 ( 1.059 4.833 0.988) 5.045 7.086 ( 6.845 1.846 -0.910) 7.147 7.462 ( 0.611 -1.311 -0.522) 1.538 7.699 ( -8.857 0.364 0.829) 8.903 ======================= Grid point 215 (68/324) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -0.559 17.911 2.680) 18.119 2.044 ( -0.313 25.707 3.431) 25.937 2.607 ( 1.427 -0.706 0.906) 1.831 2.878 ( -1.255 9.897 -4.373) 10.893 2.916 ( -3.877 3.598 -1.343) 5.457 3.075 ( 1.155 17.941 -4.406) 18.510 3.322 ( -2.762 4.687 -6.843) 8.742 3.381 ( 1.578 4.192 9.890) 10.857 3.573 ( 2.322 7.668 3.053) 8.574 4.033 ( 2.101 7.790 1.772) 8.261 4.113 ( -1.138 8.626 -3.987) 9.571 4.452 ( -0.826 -0.188 0.510) 0.989 4.586 ( -1.985 1.766 2.388) 3.573 4.658 ( 1.308 -5.054 -1.311) 5.383 5.051 ( 1.345 5.417 1.521) 5.785 5.158 ( -1.109 4.411 -1.844) 4.908 5.468 ( 1.164 -3.122 -2.134) 3.957 5.600 ( 3.183 7.651 -2.783) 8.741 5.778 ( -2.362 4.239 3.637) 6.064 5.949 ( 6.150 -2.066 2.101) 6.819 6.177 ( -2.686 2.081 -0.457) 3.428 6.233 ( -2.583 -3.199 0.808) 4.190 6.370 ( -1.651 -0.601 -3.756) 4.147 6.487 ( 1.319 -8.076 0.966) 8.240 6.671 ( 0.631 -8.104 0.433) 8.140 6.764 ( 2.132 5.361 1.801) 6.044 6.817 ( -3.057 -1.913 -0.848) 3.704 7.108 ( 10.490 -0.650 0.302) 10.514 7.506 ( 0.222 -3.143 -1.134) 3.349 7.640 ( -11.466 0.561 0.912) 11.516 ======================= Grid point 216 (69/324) ======================= q-point: (-0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -3.439 19.929 5.821) 21.045 1.555 ( -0.656 26.702 4.978) 27.170 2.407 ( -3.941 32.504 -0.494) 32.746 2.624 ( -0.672 0.282 -5.155) 5.206 2.853 ( -0.207 2.637 0.736) 2.746 2.869 ( 3.659 6.499 -2.224) 7.782 3.209 ( -2.426 5.739 -4.648) 7.773 3.280 ( 1.154 6.487 1.181) 6.694 3.479 ( 2.436 7.889 8.074) 11.548 3.860 ( -0.546 8.532 -1.302) 8.648 3.952 ( 0.553 7.523 -0.661) 7.573 4.457 ( -0.712 -0.731 -0.609) 1.188 4.584 ( -1.302 -1.432 2.076) 2.838 4.748 ( 0.516 -2.632 -2.371) 3.580 4.942 ( 0.575 4.998 -0.150) 5.033 5.089 ( 1.117 3.135 1.694) 3.734 5.425 ( 1.961 6.639 -5.190) 8.652 5.517 ( -0.047 2.446 -2.977) 3.853 5.718 ( -2.417 1.881 8.408) 8.949 6.019 ( 6.385 -0.422 1.111) 6.495 6.091 ( -0.410 2.127 -4.064) 4.606 6.328 ( -7.894 -5.755 -4.053) 10.577 6.369 ( 2.380 -1.252 6.407) 6.949 6.631 ( -0.179 -4.487 -5.386) 7.012 6.683 ( 4.145 3.141 5.084) 7.273 6.808 ( -1.747 -0.213 2.046) 2.699 6.815 ( 3.155 -5.088 -1.955) 6.298 7.206 ( 5.963 -4.171 1.213) 7.377 7.542 ( -4.367 -1.049 -2.787) 5.286 7.617 ( -6.807 -3.980 2.235) 8.195 ======================= Grid point 217 (70/324) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -4.898 17.065 12.591) 21.765 1.075 ( -2.029 25.040 8.982) 26.680 1.710 ( -2.019 39.413 4.593) 39.731 2.565 ( -3.572 2.157 -12.771) 13.435 2.776 ( -5.509 4.774 -7.028) 10.126 2.786 ( 7.413 5.875 0.444) 9.469 3.104 ( 3.731 4.013 8.094) 9.774 3.170 ( -0.559 6.455 -1.775) 6.718 3.305 ( 1.298 10.893 7.387) 13.226 3.750 ( -4.798 2.534 -7.311) 9.105 3.852 ( 3.958 3.415 4.618) 6.975 4.468 ( -0.164 -0.884 -1.527) 1.772 4.621 ( -0.390 -1.447 1.133) 1.879 4.684 ( -1.564 5.940 -4.070) 7.368 4.932 ( 0.172 -2.125 -2.225) 3.082 5.054 ( 1.769 2.210 4.371) 5.207 5.297 ( 2.648 6.443 -2.291) 7.333 5.438 ( -0.925 3.571 -6.516) 7.487 5.719 ( -1.943 -0.013 10.626) 10.802 5.995 ( 3.088 2.486 -0.038) 3.964 6.121 ( 1.799 -2.821 -2.005) 3.900 6.336 ( -6.482 -2.169 -4.636) 8.259 6.475 ( 6.132 -2.681 11.817) 13.581 6.576 ( 0.114 3.860 -0.861) 3.957 6.739 ( 0.531 -1.874 -3.654) 4.141 6.807 ( 0.196 -1.969 0.570) 2.059 6.944 ( 6.056 -5.427 2.393) 8.477 7.273 ( -4.819 -1.763 0.765) 5.188 7.555 ( -2.813 -3.685 -0.550) 4.668 7.694 ( -1.995 -4.883 1.072) 5.383 ======================= Grid point 218 (71/324) ======================= q-point: (-0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -5.134 11.244 17.617) 21.521 0.676 ( -2.882 19.117 17.694) 26.207 0.998 ( 5.423 35.361 20.055) 41.012 2.469 ( -6.222 1.157 -15.625) 16.858 2.581 ( -7.566 7.875 -14.051) 17.796 2.704 ( 5.798 5.993 -3.644) 9.100 3.029 ( 0.340 5.916 8.330) 10.223 3.133 ( 5.248 0.715 11.322) 12.500 3.207 ( 2.105 2.470 6.211) 7.008 3.651 ( -7.417 1.616 -13.039) 15.087 3.880 ( 5.106 -1.810 6.691) 8.609 4.461 ( 1.692 5.273 -4.237) 6.973 4.514 ( -1.884 4.326 -3.841) 6.084 4.671 ( -0.811 -1.472 0.498) 1.753 4.956 ( -0.456 -1.341 -2.133) 2.561 5.021 ( 0.008 2.945 0.455) 2.980 5.205 ( -0.820 3.781 -0.735) 3.938 5.371 ( 1.960 1.470 -7.526) 7.915 5.766 ( -0.276 -3.161 10.254) 10.733 6.005 ( 5.347 -1.871 4.899) 7.489 6.160 ( -0.765 -0.797 0.730) 1.325 6.345 ( -3.683 -2.551 -1.106) 4.615 6.480 ( -0.810 3.939 -0.021) 4.022 6.616 ( 17.935 -1.591 12.644) 22.001 6.753 ( -0.950 -2.204 -4.155) 4.798 6.858 ( 0.729 -2.104 -0.165) 2.233 7.119 ( 5.681 -10.281 6.774) 13.560 7.261 ( -12.442 -3.317 2.212) 13.065 7.622 ( -1.651 -3.384 0.824) 3.855 7.773 ( 0.429 -3.478 1.393) 3.771 ======================= Grid point 220 (72/324) ======================= q-point: ( 0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 9.269 0.000 20.825) 22.795 0.606 ( 15.355 0.000 16.993) 22.903 1.206 ( 16.473 0.000 41.182) 44.354 2.186 ( -10.835 -0.000 -23.746) 26.101 2.251 ( -8.051 -0.000 -12.023) 14.470 2.646 ( -1.077 -0.000 -2.638) 2.850 3.092 ( 4.280 0.000 8.873) 9.851 3.197 ( 2.349 0.000 5.029) 5.551 3.311 ( -3.579 -0.000 -9.630) 10.274 3.436 ( 0.095 0.000 0.585) 0.592 4.040 ( 2.070 0.000 3.305) 3.900 4.294 ( 0.132 0.000 1.020) 1.028 4.483 ( -0.477 -0.000 -2.780) 2.821 4.691 ( 0.356 0.000 0.852) 0.924 4.956 ( -1.428 -0.000 -1.532) 2.094 4.973 ( 0.767 0.000 -0.954) 1.224 5.111 ( -1.062 -0.000 -2.477) 2.695 5.344 ( 3.334 0.000 -6.055) 6.912 5.834 ( -0.335 -0.000 2.104) 2.130 6.132 ( 0.375 0.000 0.076) 0.383 6.200 ( -2.115 -0.000 13.367) 13.534 6.294 ( -8.603 -0.000 -0.953) 8.656 6.401 ( -0.321 -0.000 0.295) 0.436 6.725 ( 2.022 0.000 -7.107) 7.389 6.857 ( -3.756 -0.000 -0.831) 3.847 6.941 ( 2.324 0.000 -3.652) 4.329 7.248 ( 9.960 0.000 -1.117) 10.023 7.412 ( -13.743 -0.000 9.213) 16.546 7.693 ( 3.439 0.000 -5.601) 6.572 7.885 ( 6.460 0.000 3.208) 7.213 ======================= Grid point 221 (73/324) ======================= q-point: ( 0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 6.417 -7.813 17.639) 20.331 0.962 ( 11.321 -15.623 17.999) 26.386 1.518 ( 16.076 -16.463 25.922) 34.661 2.098 ( -9.932 -3.037 -20.402) 22.894 2.296 ( -7.562 -10.231 -8.783) 15.459 2.725 ( -2.429 -8.999 -2.797) 9.731 3.124 ( 0.529 -1.638 0.897) 1.941 3.212 ( -1.680 0.405 -4.422) 4.747 3.329 ( 1.133 -5.522 2.126) 6.025 3.466 ( 1.525 -1.927 3.616) 4.372 3.999 ( 2.295 2.992 2.753) 4.668 4.413 ( -1.636 -8.294 -2.044) 8.697 4.464 ( -0.196 0.813 -2.488) 2.624 4.664 ( -0.511 2.817 0.636) 2.933 4.959 ( 1.554 0.503 -0.337) 1.668 4.990 ( -1.879 -4.106 -1.729) 4.835 5.183 ( 0.437 -7.106 -3.298) 7.847 5.358 ( 2.976 -1.243 -4.379) 5.439 5.827 ( -1.229 0.782 3.876) 4.141 6.094 ( 0.837 3.515 -0.705) 3.681 6.197 ( -6.373 1.501 8.625) 10.828 6.241 ( -2.034 2.406 3.871) 4.991 6.414 ( -2.387 -1.187 -0.879) 2.807 6.700 ( 1.053 1.345 -6.739) 6.952 6.824 ( -4.726 0.761 -0.118) 4.789 6.913 ( 2.834 3.197 -2.795) 5.106 7.160 ( -6.415 13.006 15.624) 21.317 7.306 ( 9.501 2.734 -1.197) 9.959 7.600 ( 0.849 4.707 -2.970) 5.630 7.890 ( 7.081 3.848 3.321) 8.717 ======================= Grid point 222 (74/324) ======================= q-point: ( 0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 3.591 -12.689 14.116) 19.317 1.325 ( 8.307 -14.213 17.832) 24.269 1.995 ( 3.002 -17.416 -6.373) 18.786 2.156 ( -1.225 -14.301 -8.511) 16.687 2.489 ( -3.179 -14.691 2.870) 15.302 2.894 ( -4.432 -10.759 -3.118) 12.046 3.177 ( 0.963 0.799 3.953) 4.147 3.230 ( -4.702 -9.624 -11.304) 15.573 3.404 ( 3.471 -0.493 5.482) 6.507 3.601 ( 1.132 -10.244 3.460) 10.872 3.993 ( 2.029 -0.732 1.392) 2.567 4.448 ( 0.546 0.148 -1.417) 1.526 4.520 ( -2.016 -4.086 -3.970) 6.044 4.617 ( -0.643 0.935 1.448) 1.840 4.978 ( 1.958 -1.464 1.676) 2.964 5.067 ( -2.352 -5.314 -1.193) 5.933 5.313 ( 4.664 -5.193 -8.990) 11.381 5.407 ( 0.261 -4.664 1.851) 5.025 5.812 ( -2.117 1.624 5.353) 5.981 6.020 ( -2.617 2.836 -3.796) 5.413 6.139 ( -3.245 3.488 3.656) 6.005 6.215 ( -0.204 1.511 7.663) 7.813 6.397 ( -5.759 0.662 -3.131) 6.588 6.661 ( 0.400 1.322 -4.758) 4.954 6.781 ( 2.375 5.146 1.751) 5.932 6.837 ( 0.114 2.599 -0.780) 2.715 7.024 ( -4.434 2.495 9.760) 11.007 7.256 ( 1.361 6.036 -1.592) 6.389 7.551 ( 5.623 1.092 -3.041) 6.485 7.830 ( 6.452 6.564 3.164) 9.733 ======================= Grid point 223 (75/324) ======================= q-point: ( 0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 2.967 -15.236 9.984) 18.456 1.683 ( 5.174 -16.215 11.981) 20.814 2.177 ( -4.825 -11.521 -11.136) 16.734 2.417 ( 1.225 -11.445 -13.821) 17.987 2.868 ( 0.693 -18.807 10.344) 21.475 3.079 ( -3.534 -12.567 -0.840) 13.082 3.173 ( 0.141 0.054 3.435) 3.438 3.320 ( 0.210 -3.046 -0.053) 3.054 3.536 ( -2.151 -13.382 -7.980) 15.728 3.802 ( 3.338 -7.087 7.337) 10.733 4.053 ( 0.909 -4.686 -0.784) 4.837 4.461 ( 0.777 -1.413 0.201) 1.625 4.540 ( 0.663 -0.648 0.084) 0.931 4.642 ( -0.911 -2.744 -0.411) 2.920 5.027 ( 1.237 -1.898 2.244) 3.189 5.165 ( -2.045 -6.372 0.325) 6.700 5.350 ( 5.467 0.182 -9.094) 10.613 5.545 ( 0.688 -7.586 1.190) 7.710 5.758 ( -2.972 4.060 3.241) 5.985 5.958 ( -6.989 0.709 -0.402) 7.037 6.060 ( 1.112 4.646 -0.288) 4.786 6.224 ( -0.558 -0.988 5.034) 5.160 6.328 ( -6.702 1.878 -3.889) 7.973 6.629 ( -0.745 1.394 -1.981) 2.534 6.664 ( 4.151 7.408 -0.524) 8.508 6.849 ( -0.624 -2.242 2.562) 3.461 7.019 ( 0.851 0.362 4.225) 4.325 7.102 ( -6.390 7.284 -0.774) 9.720 7.579 ( 8.148 -0.846 -2.998) 8.723 7.730 ( 5.238 7.509 2.779) 9.568 ======================= Grid point 224 (76/324) ======================= q-point: ( 0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 1.989 -13.746 6.064) 15.155 2.037 ( 2.768 -16.760 5.793) 17.948 2.366 ( -3.307 -12.524 -4.648) 13.762 2.585 ( 1.981 -10.062 -11.231) 15.208 2.997 ( -4.019 0.573 -2.345) 4.688 3.157 ( -0.589 1.279 1.309) 1.923 3.426 ( 2.375 -15.701 7.695) 17.646 3.469 ( -1.170 -13.920 1.232) 14.023 3.762 ( -2.352 -12.823 -8.036) 15.315 3.918 ( 3.257 -1.604 8.367) 9.120 4.154 ( -0.059 -5.888 -3.464) 6.832 4.498 ( 0.449 -1.202 2.163) 2.515 4.586 ( 2.454 -3.366 2.303) 4.760 4.694 ( 1.086 -2.724 0.724) 3.020 5.070 ( 0.620 -1.970 2.207) 3.023 5.276 ( -2.237 -5.295 1.109) 5.854 5.331 ( 4.411 1.581 -7.833) 9.128 5.650 ( 0.033 -1.242 -1.585) 2.014 5.668 ( -3.370 2.267 -0.174) 4.066 5.947 ( -6.213 -3.339 4.895) 8.586 5.980 ( 2.275 4.048 -3.394) 5.751 6.253 ( -4.917 0.611 -2.770) 5.676 6.273 ( -0.843 -1.748 2.068) 2.836 6.552 ( 2.252 6.203 -1.706) 6.816 6.585 ( 0.090 2.689 0.324) 2.710 6.878 ( -4.431 3.799 1.314) 5.983 6.930 ( 1.619 1.845 1.142) 2.707 7.067 ( -3.209 -2.624 1.812) 4.524 7.622 ( 3.192 5.296 0.191) 6.187 7.630 ( 7.857 0.205 -0.498) 7.876 ======================= Grid point 225 (77/324) ======================= q-point: ( 0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -0.021 -9.298 2.833) 9.720 2.363 ( 1.842 -15.589 0.812) 15.718 2.581 ( -1.692 -11.757 0.535) 11.890 2.755 ( 3.756 -7.724 -5.542) 10.222 2.934 ( -4.375 0.884 -5.381) 6.992 3.137 ( -0.681 0.409 0.498) 0.938 3.672 ( -0.583 -11.436 1.818) 11.595 3.741 ( 3.092 -9.659 4.984) 11.301 3.903 ( 0.412 -0.776 2.864) 2.996 3.951 ( -1.610 -2.302 -2.797) 3.964 4.270 ( -1.386 -8.382 -3.056) 9.029 4.509 ( 0.629 0.967 2.510) 2.762 4.666 ( 1.333 -1.988 0.865) 2.545 4.764 ( 3.889 -3.306 3.584) 6.237 5.131 ( 0.935 -3.464 2.149) 4.182 5.283 ( 1.053 1.666 -5.458) 5.803 5.313 ( -1.191 2.678 -1.738) 3.407 5.625 ( -3.032 -2.778 2.260) 4.692 5.677 ( -2.506 -2.029 -3.631) 4.856 5.906 ( 1.998 3.416 -3.109) 5.033 6.044 ( -2.214 -5.535 4.385) 7.401 6.205 ( -2.196 1.094 -0.878) 2.606 6.322 ( -1.436 -2.463 -0.262) 2.863 6.424 ( 0.879 7.513 -1.485) 7.708 6.539 ( 2.620 3.162 1.214) 4.282 6.754 ( -5.809 3.467 -0.258) 6.770 6.969 ( 1.557 -1.642 2.250) 3.191 7.100 ( -2.272 -1.456 0.252) 2.710 7.540 ( 1.811 3.920 1.183) 4.477 7.672 ( 5.794 -0.685 -1.291) 5.975 ======================= Grid point 226 (78/324) ======================= q-point: ( 0.50 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -0.949 -4.629 0.983) 4.826 2.631 ( 2.449 -11.159 -1.266) 11.495 2.739 ( -1.110 -0.325 0.702) 1.353 2.821 ( 0.969 -6.277 -3.559) 7.281 3.002 ( -3.112 -8.871 -1.825) 9.577 3.143 ( 0.757 -1.107 0.396) 1.398 3.759 ( 1.490 10.284 6.311) 12.158 3.864 ( 0.707 -6.475 0.735) 6.555 3.932 ( 0.428 -4.599 0.928) 4.711 3.976 ( -0.380 -1.813 -4.491) 4.858 4.415 ( -1.579 -6.691 -1.080) 6.958 4.489 ( 0.628 1.424 1.798) 2.378 4.662 ( 0.813 2.258 0.196) 2.408 4.848 ( 1.262 -1.759 1.657) 2.726 5.197 ( 0.880 -1.753 1.368) 2.392 5.218 ( 0.183 4.513 -1.256) 4.688 5.257 ( 0.419 -0.757 -4.486) 4.569 5.709 ( -4.363 -4.280 -1.329) 6.255 5.730 ( -0.728 -6.381 3.733) 7.429 5.872 ( 0.467 -0.772 -3.132) 3.259 6.075 ( -0.922 2.436 1.537) 3.024 6.200 ( -1.358 2.163 -1.530) 2.977 6.290 ( 2.091 1.254 2.773) 3.693 6.366 ( 0.169 -0.261 -1.796) 1.823 6.492 ( 0.715 2.740 1.100) 3.038 6.703 ( -2.610 0.180 -0.238) 2.627 7.001 ( 0.835 -0.548 0.949) 1.378 7.099 ( -1.483 0.306 0.049) 1.515 7.497 ( 0.473 1.659 -0.056) 1.726 7.702 ( 2.999 -0.327 0.003) 3.017 ======================= Grid point 227 (79/324) ======================= q-point: (-0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 0.433 -0.267 0.418) 0.659 2.640 ( -0.132 5.404 -0.376) 5.419 2.822 ( -0.181 -6.996 -5.040) 8.624 2.964 ( -0.013 -6.169 -0.936) 6.239 3.098 ( -3.178 -1.993 2.124) 4.311 3.216 ( 2.886 -5.365 1.954) 6.398 3.519 ( -0.293 14.726 1.830) 14.842 3.905 ( 0.354 3.521 0.861) 3.642 3.954 ( -1.163 -0.566 -1.398) 1.905 4.054 ( 2.969 -3.684 -0.693) 4.782 4.432 ( 0.001 1.923 0.315) 1.948 4.509 ( 0.791 0.059 0.494) 0.934 4.618 ( 0.851 2.355 0.226) 2.514 4.820 ( -3.658 3.199 -0.920) 4.946 5.171 ( 2.232 1.071 -1.273) 2.784 5.226 ( 1.742 -1.075 0.202) 2.057 5.290 ( -0.564 -2.788 -1.460) 3.198 5.760 ( -3.102 -2.971 0.793) 4.368 5.854 ( 1.423 -5.474 4.465) 7.206 5.937 ( -3.336 -4.908 -5.557) 8.130 6.013 ( 0.133 1.595 2.506) 2.973 6.094 ( 0.923 5.174 -1.288) 5.411 6.329 ( 0.836 1.668 0.815) 2.036 6.358 ( 1.098 -1.375 0.544) 1.842 6.466 ( -1.624 0.220 0.450) 1.699 6.704 ( 0.702 -0.685 -0.384) 1.053 6.991 ( 0.099 2.050 0.194) 2.062 7.096 ( 0.703 -0.530 0.297) 0.929 7.474 ( 0.463 0.963 -0.817) 1.345 7.708 ( -1.028 0.352 0.709) 1.298 ======================= Grid point 228 (80/324) ======================= q-point: (-0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 2.155 6.205 0.564) 6.593 2.548 ( -2.373 3.378 0.390) 4.146 2.858 ( 1.937 4.232 -4.973) 6.811 3.008 ( -0.240 1.733 1.102) 2.068 3.060 ( -3.614 4.540 -0.211) 5.807 3.274 ( -0.286 3.091 -6.249) 6.977 3.360 ( 1.884 -2.154 8.448) 8.920 3.791 ( 0.472 9.140 1.252) 9.237 3.895 ( -1.324 5.927 -0.161) 6.075 4.115 ( 3.358 -1.478 -0.954) 3.791 4.389 ( -0.629 3.502 -0.992) 3.694 4.464 ( 1.196 3.236 0.410) 3.474 4.590 ( 0.441 1.195 0.748) 1.477 4.729 ( -3.707 4.041 0.157) 5.486 5.171 ( 3.196 1.015 1.261) 3.582 5.250 ( -0.944 -1.107 -3.147) 3.467 5.335 ( 1.335 -2.184 0.309) 2.578 5.805 ( -2.833 -3.003 -2.153) 4.656 5.878 ( 0.806 4.549 0.100) 4.621 5.922 ( 1.124 2.165 1.145) 2.695 6.069 ( 1.697 -4.312 2.517) 5.273 6.118 ( -3.080 -6.640 -0.894) 7.374 6.311 ( 1.253 -1.398 -0.079) 1.879 6.378 ( -0.303 -0.063 -0.716) 0.780 6.449 ( -2.382 0.755 0.690) 2.593 6.733 ( 1.471 -1.818 0.004) 2.339 6.938 ( 0.587 3.613 0.849) 3.758 7.121 ( 3.708 -0.703 -0.178) 3.778 7.462 ( 1.179 0.484 -0.483) 1.363 7.679 ( -5.473 1.286 0.505) 5.645 ======================= Grid point 229 (81/324) ======================= q-point: (-0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 1.355 13.722 1.557) 13.877 2.442 ( -2.735 12.014 0.843) 12.350 2.655 ( 2.472 9.594 -0.008) 9.908 2.945 ( -4.229 2.454 -3.641) 6.096 2.981 ( -0.072 3.611 -3.129) 4.779 3.218 ( 0.044 2.107 -9.492) 9.724 3.443 ( 2.214 -1.191 12.535) 12.785 3.558 ( 0.078 16.169 2.402) 16.347 3.745 ( 0.052 8.899 0.944) 8.949 4.130 ( 2.605 1.570 -0.815) 3.149 4.259 ( -0.785 8.297 -3.147) 8.909 4.451 ( -0.360 -0.177 1.506) 1.559 4.593 ( 0.509 -1.591 0.100) 1.674 4.639 ( -2.242 3.892 1.674) 4.793 5.151 ( 3.053 3.516 1.918) 5.036 5.216 ( -2.245 2.743 -2.056) 4.098 5.405 ( 2.321 -3.795 -0.734) 4.508 5.737 ( 1.502 6.117 -4.955) 8.014 5.853 ( -2.016 3.669 -0.020) 4.187 5.915 ( 1.658 -4.134 2.921) 5.326 6.115 ( -3.097 -1.147 2.766) 4.308 6.265 ( 1.803 -7.333 -0.999) 7.617 6.299 ( -0.074 2.953 -4.346) 5.255 6.405 ( -0.654 -1.332 1.505) 2.114 6.491 ( -2.088 -8.733 0.240) 8.983 6.775 ( 0.081 -1.824 0.843) 2.011 6.870 ( 1.112 4.408 1.791) 4.887 7.156 ( 8.003 -0.275 -0.323) 8.014 7.470 ( 1.278 -0.890 0.167) 1.566 7.613 ( -9.323 1.879 -0.089) 9.511 ======================= Grid point 230 (82/324) ======================= q-point: (-0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.617 18.576 3.631) 18.938 2.049 ( -1.644 24.801 1.857) 24.924 2.603 ( -1.256 0.215 -3.561) 3.782 2.815 ( -3.181 10.167 -7.943) 13.288 2.907 ( 1.225 4.052 1.014) 4.353 3.084 ( 3.184 12.503 -0.972) 12.938 3.275 ( -1.785 9.061 -2.037) 9.457 3.448 ( 2.046 6.401 8.029) 10.470 3.611 ( 1.278 5.029 5.690) 7.701 4.033 ( -1.663 9.463 -4.313) 10.531 4.100 ( 1.740 7.105 -0.194) 7.317 4.451 ( -0.309 0.254 0.863) 0.952 4.572 ( -2.672 1.008 1.159) 3.082 4.670 ( 1.766 -4.307 -0.149) 4.657 5.062 ( -0.183 6.408 -0.200) 6.414 5.158 ( 1.652 2.952 1.584) 3.735 5.457 ( -0.366 -0.844 -4.026) 4.130 5.617 ( 3.052 6.431 -2.045) 7.406 5.775 ( -2.391 3.390 4.082) 5.819 6.006 ( 4.401 -3.297 -1.257) 5.641 6.142 ( -5.507 -1.438 1.147) 5.806 6.198 ( -1.192 2.066 -3.544) 4.272 6.365 ( 1.696 -1.745 0.367) 2.460 6.492 ( -0.141 -7.471 -0.648) 7.501 6.668 ( -0.738 -9.283 -2.048) 9.535 6.796 ( 1.058 3.675 3.079) 4.910 6.800 ( -0.117 -0.000 2.538) 2.541 7.210 ( 10.190 -0.847 0.282) 10.229 7.506 ( -0.353 -1.311 -1.048) 1.715 7.535 ( -10.062 -0.300 0.953) 10.111 ======================= Grid point 231 (83/324) ======================= q-point: (-0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -1.632 19.865 7.683) 21.361 1.566 ( -2.277 25.837 4.572) 26.337 2.391 ( 0.079 29.785 0.168) 29.786 2.556 ( -3.125 3.439 -10.425) 11.413 2.816 ( -3.426 5.065 -3.633) 7.113 2.945 ( 7.369 5.130 4.965) 10.260 3.178 ( -0.583 1.985 -1.554) 2.588 3.299 ( 0.889 9.079 1.283) 9.212 3.543 ( 1.809 8.290 8.923) 12.313 3.814 ( -3.791 8.661 -6.147) 11.277 3.978 ( 2.718 6.965 2.214) 7.798 4.450 ( -0.101 -0.347 -0.645) 0.739 4.575 ( -2.221 -1.932 1.026) 3.117 4.729 ( -0.706 -0.431 -4.079) 4.162 4.951 ( 1.190 4.187 0.701) 4.409 5.122 ( 2.193 2.699 4.119) 5.391 5.404 ( 0.696 3.953 -7.677) 8.664 5.509 ( 0.563 5.957 -0.677) 6.022 5.743 ( -1.761 0.818 8.447) 8.667 6.065 ( 0.193 0.576 -5.629) 5.662 6.082 ( 4.875 1.040 2.401) 5.533 6.223 ( -8.547 -4.464 -3.423) 10.232 6.443 ( 4.829 -4.630 6.534) 9.351 6.588 ( -2.620 -2.512 -5.423) 6.526 6.721 ( -0.741 0.660 -0.371) 1.060 6.789 ( 0.287 -0.677 2.009) 2.140 6.868 ( 4.462 -5.709 2.749) 7.750 7.262 ( 3.604 0.211 1.070) 3.765 7.475 ( -5.888 -1.966 -0.875) 6.268 7.597 ( 0.090 -4.942 1.122) 5.069 ======================= Grid point 232 (84/324) ======================= q-point: (-0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -1.276 15.885 14.502) 21.547 1.107 ( -1.290 23.152 10.993) 25.661 1.771 ( 6.359 36.990 9.728) 38.772 2.430 ( -7.052 3.300 -16.868) 18.578 2.664 ( -7.169 7.226 -10.021) 14.284 2.872 ( 6.752 8.097 2.409) 10.814 3.153 ( -0.862 3.606 0.803) 3.794 3.203 ( 4.898 0.817 9.145) 10.406 3.346 ( 0.747 11.874 4.103) 12.585 3.658 ( -5.330 5.271 -7.286) 10.454 3.913 ( 3.658 1.909 3.936) 5.702 4.459 ( 0.046 -0.899 -1.787) 2.001 4.617 ( -1.865 -3.104 0.484) 3.653 4.635 ( -2.210 6.965 -5.427) 9.102 4.933 ( 1.379 -0.284 -0.325) 1.445 5.087 ( 0.480 3.253 3.112) 4.527 5.307 ( 3.136 5.557 -4.323) 7.708 5.406 ( -0.053 3.743 -3.663) 5.237 5.758 ( -1.274 -0.614 9.919) 10.019 6.027 ( 3.378 1.014 -0.607) 3.579 6.131 ( 0.986 -2.036 1.495) 2.712 6.254 ( -7.335 -3.805 -1.229) 8.354 6.537 ( -3.499 3.286 -2.643) 5.480 6.608 ( 7.564 -7.290 8.151) 13.297 6.717 ( -0.431 -0.486 -3.638) 3.695 6.823 ( 1.237 -1.871 1.401) 2.644 7.004 ( 2.681 -5.900 3.156) 7.208 7.236 ( -2.652 1.794 0.700) 3.277 7.534 ( -1.701 -4.845 0.287) 5.143 7.704 ( 2.864 -5.155 1.367) 6.053 ======================= Grid point 235 (85/324) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 12.121 0.000 19.749) 23.172 0.842 ( 17.503 0.000 13.037) 21.824 1.566 ( 16.265 0.000 34.815) 38.426 1.965 ( -10.044 -0.000 -20.463) 22.794 2.121 ( -7.043 -0.000 -9.787) 12.058 2.600 ( -5.402 -0.000 -3.123) 6.240 3.140 ( -9.626 -0.000 -20.811) 22.930 3.179 ( 5.155 0.000 6.727) 8.475 3.247 ( 2.563 0.000 4.531) 5.206 3.501 ( 3.498 0.000 7.075) 7.893 4.064 ( 0.470 0.000 1.661) 1.726 4.302 ( 0.190 0.000 1.091) 1.107 4.464 ( -0.485 -0.000 -2.568) 2.613 4.697 ( 0.053 0.000 0.671) 0.673 4.934 ( -1.383 -0.000 -1.527) 2.060 4.977 ( 1.075 0.000 -0.803) 1.342 5.089 ( -0.269 -0.000 -3.687) 3.697 5.350 ( 3.444 0.000 -4.023) 5.296 5.828 ( -2.928 -0.000 0.336) 2.947 6.138 ( 0.746 0.000 0.093) 0.752 6.187 ( -7.785 -0.000 4.164) 8.828 6.277 ( -1.695 -0.000 9.778) 9.924 6.398 ( -0.729 -0.000 0.258) 0.774 6.701 ( 1.234 0.000 -7.193) 7.298 6.794 ( -7.505 -0.000 -1.304) 7.617 6.932 ( -0.143 -0.000 -1.267) 1.275 7.302 ( -3.880 -0.000 5.766) 6.949 7.392 ( 4.034 0.000 2.536) 4.765 7.671 ( -0.176 -0.000 -7.405) 7.407 7.973 ( 7.793 0.000 3.556) 8.566 ======================= Grid point 236 (86/324) ======================= q-point: ( 0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 9.702 -3.842 17.037) 19.979 1.170 ( 13.669 -14.802 15.685) 25.534 1.750 ( 7.365 -7.635 6.173) 12.274 1.931 ( -3.290 -5.418 -8.317) 10.457 2.212 ( -4.255 -12.732 0.783) 13.447 2.669 ( -5.778 -9.715 -2.687) 11.619 3.025 ( -7.825 -1.895 -17.643) 19.394 3.226 ( 2.691 1.440 4.072) 5.089 3.365 ( 2.514 -9.308 4.148) 10.497 3.514 ( 2.200 1.100 4.535) 5.159 4.026 ( 1.282 2.566 1.285) 3.143 4.391 ( -1.250 -6.596 -1.249) 6.829 4.452 ( 0.056 0.246 -1.772) 1.790 4.663 ( -0.393 2.945 0.735) 3.061 4.963 ( -1.810 -3.460 -1.811) 4.304 4.975 ( 1.831 -0.500 0.204) 1.909 5.168 ( 0.781 -7.712 -4.752) 9.092 5.368 ( 2.842 -1.175 -2.319) 3.852 5.813 ( -4.337 -0.397 0.097) 4.356 6.088 ( -1.139 4.857 0.106) 4.990 6.167 ( -3.625 0.381 3.481) 5.040 6.268 ( -2.668 2.145 9.301) 9.911 6.390 ( -2.290 0.780 -0.050) 2.419 6.678 ( 1.583 1.190 -5.379) 5.732 6.769 ( -5.799 -1.401 -0.548) 5.991 6.914 ( 0.790 1.829 -2.249) 3.004 7.179 ( -5.038 10.674 12.068) 16.881 7.369 ( 4.393 4.761 -1.969) 6.770 7.599 ( 4.169 2.828 -5.632) 7.557 7.977 ( 7.243 4.261 3.501) 9.103 ======================= Grid point 237 (87/324) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 6.612 -10.119 14.145) 18.607 1.512 ( 10.839 -11.072 18.055) 23.792 1.903 ( -5.867 -10.847 -14.620) 19.127 2.140 ( 3.620 -14.702 -9.477) 17.862 2.524 ( -0.160 -19.103 12.698) 22.939 2.824 ( -5.810 -10.265 -2.216) 12.001 3.110 ( -5.865 -13.950 -13.497) 20.278 3.207 ( 0.775 1.970 3.237) 3.868 3.456 ( 2.411 2.208 3.257) 4.615 3.637 ( 2.083 -11.948 3.396) 12.595 4.014 ( 1.406 -0.345 0.457) 1.518 4.444 ( 0.220 -0.743 -1.920) 2.071 4.493 ( -0.373 -4.145 -1.661) 4.481 4.623 ( -0.163 0.989 2.296) 2.505 4.999 ( 0.354 -2.035 0.461) 2.116 5.045 ( -0.523 -5.181 -0.111) 5.208 5.307 ( 4.507 -5.932 -10.376) 12.774 5.421 ( 0.094 -4.596 2.770) 5.367 5.802 ( -4.140 -0.015 1.552) 4.421 5.971 ( -4.127 5.388 -0.649) 6.819 6.144 ( 0.462 2.551 2.301) 3.467 6.236 ( -3.689 1.405 7.386) 8.375 6.333 ( -5.241 2.885 -1.539) 6.177 6.651 ( 1.661 1.517 -2.109) 3.083 6.791 ( -1.091 -2.082 0.715) 2.457 6.832 ( 1.110 6.403 -3.618) 7.438 7.040 ( -2.731 3.609 9.488) 10.512 7.244 ( -1.530 8.066 -2.540) 8.593 7.598 ( 8.001 -0.150 -4.261) 9.066 7.907 ( 6.080 7.157 3.154) 9.907 ======================= Grid point 238 (88/324) ======================= q-point: ( 0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 5.643 -12.997 10.027) 17.358 1.809 ( 6.959 -12.154 12.568) 18.818 2.078 ( -5.056 -13.683 -7.775) 16.530 2.361 ( 1.662 -11.229 -13.251) 17.448 2.868 ( -6.500 -12.285 0.468) 13.906 3.090 ( 1.891 -19.829 7.814) 21.397 3.174 ( -2.475 0.328 0.775) 2.614 3.311 ( -0.674 -6.991 -2.380) 7.415 3.489 ( -0.310 -8.816 -5.291) 10.287 3.867 ( 3.129 -8.605 5.348) 10.604 4.049 ( -0.053 -3.239 -1.888) 3.749 4.467 ( 0.542 -1.926 -0.260) 2.017 4.554 ( 2.041 -2.542 0.482) 3.296 4.644 ( 0.218 -2.435 2.111) 3.230 5.042 ( 0.008 -2.102 0.997) 2.326 5.154 ( -0.581 -6.282 1.068) 6.399 5.350 ( 4.850 -0.175 -10.430) 11.504 5.555 ( 0.480 -7.175 0.360) 7.200 5.753 ( -1.500 4.973 3.946) 6.523 5.885 ( -7.844 -0.265 0.096) 7.849 6.072 ( 1.692 5.389 -0.988) 5.734 6.226 ( -4.823 0.039 4.683) 6.722 6.260 ( -4.432 0.688 -0.893) 4.573 6.622 ( 0.689 1.962 -0.299) 2.101 6.684 ( 1.958 7.299 -2.705) 8.027 6.853 ( -0.964 -3.125 1.622) 3.651 7.023 ( -4.366 1.425 3.366) 5.695 7.069 ( 0.724 7.034 -1.077) 7.152 7.636 ( 7.402 -0.719 -3.927) 8.410 7.794 ( 4.751 8.071 3.091) 9.863 ======================= Grid point 239 (89/324) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 3.443 -11.193 5.348) 12.874 2.104 ( 3.869 -13.879 6.351) 15.746 2.318 ( -2.833 -14.486 -1.298) 14.818 2.548 ( 1.132 -11.616 -9.308) 14.928 2.938 ( -4.060 -0.150 -3.832) 5.585 3.150 ( -1.933 1.051 0.334) 2.226 3.448 ( -0.330 -10.565 0.854) 10.605 3.510 ( 1.930 -18.239 8.580) 20.249 3.699 ( -1.843 -13.083 -7.806) 15.346 3.982 ( 2.517 -0.570 5.557) 6.127 4.125 ( -1.478 -5.847 -4.649) 7.615 4.509 ( 0.106 -1.641 1.113) 1.985 4.622 ( 2.438 -3.148 1.761) 4.354 4.719 ( 2.380 -3.985 2.105) 5.096 5.087 ( 0.443 -2.417 1.978) 3.155 5.258 ( -2.026 -3.974 0.345) 4.474 5.336 ( 5.368 0.836 -8.269) 9.894 5.632 ( -1.171 -1.163 -3.768) 4.113 5.648 ( -2.804 5.041 3.643) 6.822 5.921 ( -3.953 -5.919 4.431) 8.384 5.983 ( 1.324 4.035 -2.349) 4.853 6.198 ( -5.029 0.161 -0.140) 5.034 6.270 ( -1.725 -1.925 1.705) 3.097 6.555 ( 0.852 6.184 -2.018) 6.561 6.593 ( 0.817 1.944 0.493) 2.165 6.825 ( -6.132 6.402 -0.035) 8.865 6.950 ( 1.515 -1.122 0.562) 1.967 7.067 ( 0.410 -1.183 1.142) 1.695 7.642 ( 3.138 3.916 -3.311) 6.012 7.704 ( 5.952 2.563 2.900) 7.099 ======================= Grid point 240 (90/324) ======================= q-point: ( 0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.401 -7.518 1.793) 7.739 2.395 ( 2.914 -13.731 2.267) 14.219 2.571 ( -1.349 -13.025 1.653) 13.199 2.761 ( 1.188 -11.734 -3.450) 12.288 2.872 ( -1.733 3.581 -4.561) 6.052 3.130 ( -1.380 -0.058 0.265) 1.407 3.672 ( -0.300 -12.036 0.891) 12.073 3.805 ( 3.561 -9.609 6.481) 12.125 3.880 ( -1.966 -8.088 -5.677) 10.075 3.950 ( -0.062 5.533 1.631) 5.769 4.235 ( -2.069 -8.384 -3.256) 9.229 4.522 ( 0.158 0.653 1.195) 1.370 4.680 ( 0.851 -1.124 0.491) 1.493 4.811 ( 2.629 -3.419 1.698) 4.635 5.151 ( 0.735 -3.306 1.897) 3.882 5.260 ( 0.100 1.027 -3.293) 3.451 5.318 ( 4.026 4.068 -2.519) 6.253 5.597 ( -4.990 -2.497 0.691) 5.623 5.643 ( -2.108 -2.549 0.129) 3.310 5.911 ( 1.425 3.432 -1.110) 3.878 6.047 ( -1.269 -5.297 3.281) 6.359 6.180 ( -2.234 -0.585 -0.281) 2.326 6.308 ( -1.341 -2.467 0.074) 2.809 6.425 ( 0.709 7.246 -0.976) 7.346 6.567 ( 2.177 2.827 0.938) 3.690 6.696 ( -5.535 2.457 -0.579) 6.084 6.990 ( 1.135 -1.415 0.681) 1.937 7.086 ( -0.781 -0.674 -0.360) 1.093 7.556 ( 1.145 4.304 -0.754) 4.517 7.721 ( 4.729 0.248 0.859) 4.812 ======================= Grid point 241 (91/324) ======================= q-point: ( 0.57 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -0.651 -4.508 0.349) 4.568 2.641 ( 1.448 -10.699 -1.700) 10.929 2.745 ( 0.127 2.557 2.276) 3.425 2.818 ( 1.913 -7.142 -2.581) 7.831 2.972 ( -2.559 -9.880 1.257) 10.283 3.149 ( 0.237 -2.621 0.184) 2.638 3.776 ( -1.346 11.029 -0.380) 11.117 3.873 ( 0.647 -6.933 0.314) 6.970 3.939 ( -0.235 -0.690 -0.177) 0.750 3.973 ( 2.517 -5.731 0.291) 6.266 4.391 ( -1.748 -8.262 -1.408) 8.561 4.499 ( -0.028 1.549 0.560) 1.647 4.672 ( 0.702 2.112 0.429) 2.266 4.844 ( -1.385 0.878 -1.993) 2.581 5.210 ( 0.507 -1.889 0.458) 2.009 5.233 ( 3.591 4.316 -0.787) 5.670 5.255 ( 1.999 -0.476 -0.316) 2.079 5.654 ( -5.503 -5.397 -0.689) 7.739 5.739 ( -1.198 -7.291 3.005) 7.976 5.868 ( 0.972 1.035 -0.647) 1.560 6.069 ( -1.500 1.919 0.488) 2.484 6.188 ( -0.225 2.201 -0.007) 2.212 6.323 ( 1.862 1.129 1.809) 2.831 6.354 ( -0.118 -1.882 -2.014) 2.759 6.497 ( -0.693 4.182 1.007) 4.357 6.685 ( -0.945 -1.566 -0.207) 1.840 7.009 ( 0.282 -0.053 -0.054) 0.292 7.087 ( -0.889 -0.340 -0.340) 1.011 7.498 ( 0.302 2.014 -0.933) 2.240 7.729 ( 2.265 1.065 1.142) 2.751 ======================= Grid point 242 (92/324) ======================= q-point: (-0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.313 -1.214 0.264) 1.281 2.633 ( -0.548 5.868 -0.869) 5.957 2.807 ( 1.928 -5.726 -3.541) 7.003 2.964 ( 0.762 -5.204 -0.311) 5.268 3.084 ( -2.753 -2.813 3.054) 4.982 3.247 ( 1.340 -6.072 2.274) 6.621 3.510 ( -1.502 14.482 -2.021) 14.700 3.907 ( -0.246 3.464 -0.414) 3.497 3.947 ( -0.025 -0.183 0.841) 0.861 4.079 ( 2.708 -3.860 -0.242) 4.721 4.429 ( -0.898 1.814 0.236) 2.038 4.518 ( 0.578 -0.742 0.201) 0.962 4.628 ( 0.686 2.516 0.885) 2.754 4.776 ( -3.085 3.274 -2.861) 5.331 5.192 ( 3.197 0.809 -1.453) 3.603 5.236 ( 0.936 -0.264 0.394) 1.049 5.297 ( 1.247 -2.265 1.590) 3.035 5.719 ( -4.503 -3.647 -1.364) 5.953 5.876 ( -3.055 -5.915 -1.571) 6.840 5.905 ( 2.739 -4.308 2.941) 5.892 6.016 ( -1.149 1.569 0.106) 1.948 6.104 ( 1.423 4.691 0.640) 4.944 6.333 ( 0.037 0.734 -0.748) 1.049 6.372 ( 1.382 0.179 0.209) 1.409 6.450 ( -2.240 0.267 0.730) 2.371 6.713 ( 1.242 -1.282 0.073) 1.786 6.992 ( -0.145 1.803 -0.001) 1.809 7.104 ( 0.598 -1.713 0.081) 1.816 7.474 ( 0.420 0.608 -0.894) 1.160 7.703 ( -0.864 2.471 0.935) 2.779 ======================= Grid point 243 (93/324) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 1.159 5.663 0.649) 5.817 2.533 ( -1.340 3.980 0.685) 4.255 2.852 ( 2.652 1.962 -5.693) 6.579 3.008 ( 0.347 0.042 -1.539) 1.578 3.022 ( -4.445 10.138 -0.016) 11.069 3.239 ( -0.431 3.825 -5.220) 6.486 3.423 ( 1.573 -4.355 9.124) 10.232 3.799 ( -0.225 8.460 1.091) 8.534 3.892 ( 0.127 5.886 1.396) 6.050 4.138 ( 2.466 -1.327 -1.328) 3.100 4.381 ( -0.445 4.095 0.214) 4.125 4.473 ( 0.466 3.476 -0.133) 3.510 4.599 ( 0.347 1.245 1.546) 2.015 4.699 ( -2.408 3.103 -0.556) 3.967 5.205 ( 0.621 -0.002 -1.132) 1.291 5.237 ( 2.355 1.145 1.538) 3.037 5.351 ( 1.370 -2.813 0.019) 3.129 5.750 ( -3.817 -2.761 -4.868) 6.774 5.867 ( -1.252 2.704 -3.529) 4.619 5.950 ( 1.896 3.133 3.239) 4.889 6.085 ( -2.368 -7.109 -1.137) 7.579 6.106 ( 1.879 -3.824 4.092) 5.908 6.322 ( 1.148 -1.588 -0.456) 2.012 6.373 ( 0.289 0.452 -0.889) 1.038 6.426 ( -2.730 1.118 0.235) 2.960 6.748 ( 1.252 -1.668 1.019) 2.321 6.946 ( 0.105 3.016 0.862) 3.138 7.153 ( 2.830 -2.492 0.105) 3.773 7.472 ( 1.325 -0.066 -0.240) 1.348 7.633 ( -4.226 3.751 0.104) 5.652 ======================= Grid point 244 (94/324) ======================= q-point: (-0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 0.275 13.839 1.878) 13.968 2.419 ( -2.270 12.028 -0.444) 12.248 2.664 ( -0.331 10.480 -1.231) 10.558 2.873 ( -2.730 3.069 -8.455) 9.400 2.981 ( 1.562 2.350 -1.199) 3.066 3.187 ( 0.765 2.178 -4.894) 5.411 3.524 ( 1.709 -0.796 9.792) 9.972 3.579 ( 0.727 15.013 5.804) 16.113 3.756 ( 0.424 8.473 2.179) 8.759 4.137 ( 0.203 2.605 -2.697) 3.756 4.242 ( 0.957 8.450 -2.314) 8.813 4.454 ( -0.702 -0.210 1.611) 1.769 4.593 ( -0.516 0.786 0.523) 1.076 4.641 ( 0.237 1.172 2.283) 2.577 5.157 ( -1.896 4.050 -1.561) 4.736 5.223 ( 3.417 2.326 2.472) 4.816 5.414 ( 0.660 -2.711 -1.256) 3.060 5.723 ( 1.369 3.660 -5.141) 6.458 5.816 ( -3.838 1.106 -2.668) 4.804 5.939 ( 1.008 -2.168 1.197) 2.674 6.095 ( -3.921 0.678 2.066) 4.483 6.268 ( 1.278 -7.927 -1.993) 8.273 6.298 ( 2.054 5.018 -1.123) 5.537 6.411 ( 0.175 -1.895 1.422) 2.375 6.471 ( -1.700 -9.411 -0.457) 9.575 6.786 ( 0.561 -1.307 2.004) 2.457 6.887 ( 0.353 3.714 2.219) 4.341 7.221 ( 4.961 -2.581 0.179) 5.595 7.487 ( 1.618 -0.732 0.392) 1.819 7.531 ( -6.437 3.909 -0.809) 7.575 ======================= Grid point 245 (95/324) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -0.475 18.332 4.450) 18.871 2.031 ( -3.264 23.837 0.712) 24.070 2.551 ( -3.473 3.712 -6.430) 8.197 2.749 ( -0.476 7.496 -11.220) 13.502 2.943 ( 3.159 4.173 3.963) 6.565 3.116 ( 2.996 6.837 1.024) 7.535 3.267 ( -0.214 13.602 2.533) 13.837 3.494 ( 1.217 9.439 3.352) 10.090 3.662 ( 1.218 2.490 9.739) 10.126 3.977 ( -3.323 10.676 -6.673) 13.021 4.125 ( 2.825 6.251 0.099) 6.860 4.455 ( 0.003 0.445 1.337) 1.410 4.553 ( -2.021 1.074 0.710) 2.396 4.685 ( 1.172 -2.792 0.118) 3.031 5.052 ( -0.850 5.394 -0.539) 5.488 5.197 ( 3.177 2.884 3.579) 5.587 5.422 ( -1.417 0.814 -5.632) 5.864 5.635 ( 2.646 5.751 -1.681) 6.549 5.771 ( -2.786 1.296 3.268) 4.486 6.008 ( 0.903 -3.796 -6.286) 7.398 6.086 ( -7.285 -2.535 2.272) 8.041 6.201 ( 3.147 5.293 -0.176) 6.160 6.387 ( 2.075 -4.759 -0.526) 5.218 6.483 ( -0.713 -5.004 -0.282) 5.062 6.639 ( -2.001 -7.748 -2.862) 8.499 6.819 ( 1.381 -0.670 3.840) 4.135 6.833 ( 1.849 1.716 3.617) 4.410 7.281 ( 1.445 -0.967 0.842) 1.932 7.439 ( -3.368 1.412 -1.696) 4.027 7.530 ( 1.833 -2.681 1.061) 3.417 ======================= Grid point 246 (96/324) ======================= q-point: (-0.07 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -0.121 18.676 9.003) 20.734 1.568 ( -2.113 23.976 5.664) 24.727 2.371 ( -2.120 15.320 -8.381) 17.591 2.497 ( 1.313 14.622 -6.976) 16.254 2.774 ( -2.435 11.456 0.524) 11.724 3.039 ( 6.003 4.384 5.718) 9.378 3.171 ( -0.692 0.463 -0.160) 0.848 3.307 ( -0.013 8.275 0.824) 8.316 3.601 ( 1.555 10.602 5.825) 12.196 3.745 ( -3.548 7.873 -4.437) 9.709 4.014 ( 2.578 6.226 1.535) 6.912 4.449 ( 0.379 0.226 -0.411) 0.603 4.556 ( -2.147 -1.989 0.210) 2.934 4.697 ( -1.505 1.852 -4.017) 4.673 4.972 ( 1.714 3.061 1.755) 3.922 5.162 ( 1.205 3.359 4.120) 5.450 5.368 ( 1.518 1.994 -9.091) 9.430 5.518 ( 0.834 7.322 0.907) 7.425 5.765 ( -2.159 -0.322 6.729) 7.074 6.039 ( 1.112 -0.895 -6.777) 6.925 6.119 ( -5.424 -2.630 3.830) 7.142 6.153 ( 0.516 0.051 0.369) 0.636 6.496 ( -1.369 -5.055 -3.379) 6.233 6.549 ( 2.171 -3.088 1.921) 4.235 6.689 ( -2.641 -1.118 -2.687) 3.930 6.817 ( 0.987 0.083 3.633) 3.765 6.925 ( 4.240 -5.061 3.117) 7.301 7.256 ( -6.292 1.147 0.845) 6.452 7.459 ( 3.942 -2.474 -0.974) 4.755 7.621 ( 3.159 -5.353 1.543) 6.404 ======================= Grid point 250 (97/324) ======================= q-point: ( 0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 11.024 0.000 19.193) 22.134 1.065 ( 17.563 0.000 8.113) 19.346 1.687 ( -6.760 -0.000 -14.818) 16.287 1.972 ( 13.870 0.000 25.763) 29.259 2.022 ( -5.339 -0.000 -5.279) 7.509 2.516 ( -8.358 -0.000 -3.765) 9.167 2.940 ( -9.542 -0.000 -20.073) 22.225 3.255 ( 4.738 0.000 4.347) 6.430 3.291 ( 2.233 0.000 3.308) 3.991 3.553 ( 1.609 0.000 3.840) 4.164 4.068 ( -0.510 -0.000 0.228) 0.559 4.309 ( 0.222 0.000 0.981) 1.006 4.448 ( -0.422 -0.000 -1.897) 1.943 4.698 ( -0.366 -0.000 0.210) 0.422 4.916 ( -1.035 -0.000 -1.083) 1.498 4.985 ( 1.202 0.000 -0.487) 1.297 5.068 ( 0.164 0.000 -4.468) 4.471 5.367 ( 3.378 0.000 -2.009) 3.930 5.778 ( -5.985 -0.000 -2.379) 6.440 6.147 ( 1.038 0.000 0.101) 1.043 6.156 ( -3.070 -0.000 3.759) 4.853 6.298 ( -5.824 -0.000 10.570) 12.068 6.390 ( -1.059 -0.000 0.164) 1.072 6.686 ( 2.954 0.000 -5.621) 6.350 6.717 ( -7.040 -0.000 -0.345) 7.048 6.926 ( 0.047 0.000 -1.155) 1.156 7.282 ( -6.212 -0.000 7.940) 10.081 7.439 ( 2.042 0.000 -1.503) 2.536 7.637 ( 3.067 0.000 -8.106) 8.666 8.063 ( 7.197 0.000 3.154) 7.858 ======================= Grid point 251 (98/324) ======================= q-point: ( 0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 9.762 -1.686 15.890) 18.725 1.372 ( 13.328 -15.141 11.280) 23.111 1.667 ( -5.994 -6.162 -16.651) 18.739 1.973 ( 4.874 -2.064 0.183) 5.297 2.245 ( 0.254 -12.730 14.482) 19.283 2.608 ( -4.569 -11.750 1.639) 12.713 2.850 ( -8.446 -3.049 -18.409) 20.483 3.269 ( 1.998 2.556 2.828) 4.304 3.410 ( 2.637 -10.015 3.060) 10.799 3.544 ( 0.863 1.935 1.370) 2.523 4.037 ( 0.512 1.807 0.089) 1.881 4.376 ( -0.754 -5.123 -0.931) 5.261 4.445 ( -0.128 -0.543 -0.873) 1.036 4.664 ( -0.280 2.517 0.884) 2.682 4.939 ( -1.322 -2.892 -1.305) 3.438 4.995 ( 1.876 -1.267 0.586) 2.338 5.149 ( 0.998 -8.012 -5.850) 9.971 5.387 ( 2.520 -0.934 -0.383) 2.715 5.753 ( -5.819 -1.201 -2.543) 6.463 6.085 ( -0.525 6.169 1.542) 6.381 6.159 ( -2.024 -0.349 2.337) 3.112 6.274 ( -5.553 1.904 8.537) 10.360 6.366 ( -2.839 2.266 -0.183) 3.637 6.685 ( 4.204 0.864 -2.324) 4.881 6.716 ( -4.721 -3.087 -0.181) 5.644 6.906 ( 0.208 1.953 -2.752) 3.381 7.191 ( -3.675 8.271 9.241) 12.935 7.360 ( -2.739 6.163 -4.100) 7.893 7.628 ( 7.972 0.592 -5.638) 9.782 8.058 ( 6.201 4.563 2.790) 8.189 ======================= Grid point 252 (99/324) ======================= q-point: ( 0.36 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 8.945 -8.179 13.687) 18.283 1.676 ( 2.764 -9.880 4.115) 11.054 1.804 ( 1.759 -11.690 0.215) 11.824 2.116 ( 2.978 -11.245 -11.791) 16.564 2.546 ( -6.622 -17.134 4.516) 18.916 2.802 ( -0.899 -10.994 6.095) 12.603 2.993 ( -4.107 -17.321 -10.348) 20.590 3.223 ( -0.305 2.669 1.863) 3.269 3.482 ( 1.323 3.077 -0.038) 3.350 3.670 ( 1.668 -13.011 1.932) 13.259 4.025 ( 0.939 -0.042 -0.345) 1.002 4.435 ( 0.321 -1.818 -1.959) 2.692 4.491 ( 0.339 -4.313 0.300) 4.337 4.636 ( 0.076 0.634 2.644) 2.719 4.989 ( -1.158 -3.170 -0.876) 3.487 5.060 ( 1.676 -4.162 1.854) 4.854 5.289 ( 3.532 -6.277 -11.473) 13.546 5.437 ( 0.208 -4.268 3.199) 5.338 5.757 ( -4.553 -2.302 -1.095) 5.217 5.945 ( -2.355 7.775 1.974) 8.360 6.158 ( -0.345 1.199 1.015) 1.609 6.227 ( -5.016 2.154 6.595) 8.561 6.278 ( -5.166 3.916 -0.438) 6.497 6.674 ( 3.526 2.222 1.132) 4.319 6.775 ( -2.193 -4.035 -0.599) 4.631 6.821 ( 0.952 6.139 -4.371) 7.596 7.067 ( -0.986 4.534 7.374) 8.713 7.203 ( -3.405 7.496 -3.829) 9.079 7.653 ( 8.035 -0.178 -4.341) 9.134 7.974 ( 4.762 7.524 2.492) 9.247 ======================= Grid point 253 (100/324) ======================= q-point: ( 0.43 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 7.360 -10.253 8.120) 15.007 1.886 ( -1.904 -13.025 0.667) 13.180 2.053 ( 3.470 -11.838 7.310) 14.339 2.310 ( 0.904 -11.398 -10.839) 15.755 2.796 ( -5.793 -11.855 -2.400) 13.411 3.110 ( -5.128 -12.715 -2.473) 13.931 3.174 ( 1.932 -8.419 5.769) 10.387 3.298 ( -0.231 -10.287 1.024) 10.340 3.472 ( 0.982 -4.828 -3.381) 5.976 3.911 ( 1.575 -10.348 2.099) 10.676 4.036 ( -0.297 -0.976 -2.164) 2.393 4.470 ( 0.591 -2.201 -0.412) 2.316 4.580 ( 2.368 -3.656 0.727) 4.416 4.662 ( 0.390 -2.785 2.944) 4.072 5.042 ( -0.464 -2.896 0.544) 2.983 5.163 ( 0.319 -5.257 2.030) 5.645 5.334 ( 4.004 -1.010 -11.708) 12.415 5.557 ( 0.013 -5.778 -0.780) 5.831 5.774 ( 0.872 4.875 5.054) 7.076 5.817 ( -6.322 -1.370 0.752) 6.513 6.073 ( -0.104 5.906 -2.524) 6.424 6.190 ( -7.035 1.351 5.826) 9.234 6.231 ( -2.503 -1.248 0.912) 2.942 6.638 ( 2.026 3.322 1.300) 4.102 6.677 ( 0.211 6.342 -3.517) 7.255 6.845 ( -1.581 -2.428 0.229) 2.906 7.001 ( -1.971 5.746 0.853) 6.135 7.074 ( 0.433 1.905 -0.381) 1.991 7.679 ( 6.249 0.219 -4.536) 7.725 7.850 ( 3.481 7.889 3.234) 9.210 ======================= Grid point 254 (101/324) ======================= q-point: ( 0.50 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 2.690 -8.530 2.138) 9.196 2.155 ( 0.945 -14.582 3.836) 15.108 2.314 ( 0.247 -13.375 3.493) 13.826 2.514 ( 0.263 -12.265 -4.011) 12.907 2.896 ( -0.223 -1.387 -3.903) 4.148 3.123 ( -3.352 -0.074 -0.803) 3.448 3.452 ( 0.260 -10.485 0.778) 10.517 3.551 ( -1.285 -18.879 2.816) 19.131 3.663 ( 1.100 -11.827 -1.733) 12.004 4.017 ( 0.484 1.474 0.442) 1.613 4.088 ( -0.925 -6.900 -3.051) 7.601 4.513 ( 0.018 -1.727 0.331) 1.759 4.645 ( 1.236 -2.561 0.240) 2.854 4.752 ( 1.925 -4.555 1.832) 5.274 5.097 ( -0.070 -2.994 1.263) 3.250 5.242 ( -1.187 -2.434 -0.388) 2.736 5.353 ( 6.734 -1.515 -6.905) 9.763 5.594 ( -2.688 0.567 -3.914) 4.782 5.644 ( -2.749 5.745 4.670) 7.898 5.924 ( -0.393 -7.160 4.788) 8.623 5.982 ( 0.752 3.115 -1.490) 3.534 6.154 ( -5.617 0.063 2.760) 6.259 6.259 ( -1.759 -2.084 0.723) 2.821 6.554 ( 0.716 6.085 -0.949) 6.200 6.602 ( 0.688 1.532 0.043) 1.680 6.773 ( -4.355 7.041 -0.336) 8.286 6.962 ( 0.992 -1.677 -0.711) 2.074 7.075 ( 0.555 -0.377 -0.301) 0.736 7.648 ( 2.304 4.480 -4.665) 6.865 7.771 ( 4.236 2.729 4.150) 6.528 ======================= Grid point 255 (102/324) ======================= q-point: ( 0.57 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -0.455 -6.457 -0.427) 6.487 2.434 ( 2.359 -12.697 2.956) 13.248 2.574 ( -1.033 -13.386 2.787) 13.712 2.740 ( -1.483 -11.483 -0.221) 11.581 2.871 ( 4.446 2.667 -2.617) 5.808 3.113 ( -2.240 -0.876 0.125) 2.408 3.677 ( 0.202 -11.910 1.163) 11.969 3.823 ( -3.035 -9.837 -6.065) 11.948 3.868 ( 2.797 -7.938 4.136) 9.378 3.947 ( -0.685 4.862 -0.849) 4.983 4.206 ( -0.684 -7.789 -2.045) 8.082 4.523 ( -0.458 0.623 -0.177) 0.793 4.685 ( 0.220 -0.994 -0.443) 1.111 4.825 ( 0.109 -2.031 -1.176) 2.349 5.160 ( -0.190 -3.328 0.440) 3.362 5.262 ( 2.458 -0.389 -0.738) 2.595 5.355 ( 5.755 5.096 -1.638) 7.860 5.545 ( -5.358 -2.032 -0.476) 5.750 5.633 ( -2.014 -3.511 2.930) 4.997 5.923 ( 1.355 3.272 0.921) 3.660 6.053 ( -0.789 -3.439 2.939) 4.592 6.161 ( -1.922 -2.656 0.794) 3.373 6.295 ( -1.073 -2.674 -0.654) 2.954 6.430 ( 0.902 7.025 0.275) 7.088 6.590 ( 1.671 3.451 0.545) 3.873 6.646 ( -4.033 0.885 -0.797) 4.206 6.996 ( 0.272 -1.388 -0.942) 1.699 7.078 ( -0.272 -0.048 -1.082) 1.117 7.554 ( 0.387 4.184 -2.644) 4.964 7.769 ( 3.305 1.206 2.840) 4.522 ======================= Grid point 256 (103/324) ======================= q-point: ( 0.64 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -0.828 -4.822 -0.626) 4.932 2.643 ( 0.796 -7.047 -1.598) 7.270 2.760 ( 0.219 -0.266 2.846) 2.867 2.837 ( 3.749 -7.515 -0.184) 8.401 2.967 ( -1.364 -8.216 3.756) 9.136 3.151 ( -0.059 -4.110 0.290) 4.121 3.737 ( -2.980 10.371 -5.638) 12.175 3.880 ( 0.402 -6.701 0.194) 6.716 3.930 ( -0.617 -1.880 -1.303) 2.369 4.006 ( 2.144 -4.218 2.293) 5.258 4.373 ( -0.499 -9.020 -1.114) 9.102 4.492 ( -1.085 1.450 -1.071) 2.104 4.677 ( 0.071 1.651 -0.069) 1.654 4.815 ( -1.157 2.102 -3.257) 4.045 5.210 ( -0.235 -1.550 -0.658) 1.700 5.269 ( 3.939 4.346 0.247) 5.871 5.286 ( 2.725 -0.610 1.975) 3.420 5.606 ( -3.953 -5.595 0.230) 6.855 5.736 ( -1.775 -6.568 1.890) 7.061 5.887 ( 1.991 0.895 2.582) 3.381 6.053 ( -1.646 1.953 -0.647) 2.635 6.195 ( 0.622 1.674 1.594) 2.394 6.318 ( -1.416 0.646 -3.048) 3.422 6.367 ( 2.186 -1.897 1.674) 3.343 6.491 ( -1.472 4.954 0.500) 5.193 6.681 ( 0.085 -2.760 -0.044) 2.761 7.006 ( -0.285 0.045 -0.977) 1.019 7.078 ( -0.465 -0.750 -0.754) 1.161 7.492 ( -0.049 1.830 -1.799) 2.567 7.756 ( 1.426 2.316 2.218) 3.510 ======================= Grid point 257 (104/324) ======================= q-point: (-0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -0.125 -1.963 0.041) 1.968 2.624 ( -0.138 5.080 -1.128) 5.206 2.820 ( 3.249 -3.458 -1.575) 5.000 2.977 ( 1.958 -3.702 0.345) 4.202 3.075 ( -2.586 -2.963 3.065) 4.986 3.265 ( -0.324 -5.392 2.278) 5.863 3.474 ( -2.167 11.897 -4.182) 12.795 3.900 ( -0.413 3.012 -0.558) 3.091 3.957 ( 0.711 0.153 1.268) 1.461 4.096 ( 1.013 -3.776 -0.661) 3.965 4.421 ( -0.759 1.529 -0.077) 1.708 4.519 ( -0.235 -1.912 -0.348) 1.957 4.640 ( 0.336 2.208 1.494) 2.687 4.739 ( -0.853 3.635 -3.188) 4.910 5.201 ( 0.462 0.832 -1.374) 1.671 5.268 ( 3.721 -0.763 1.739) 4.177 5.316 ( 0.393 -1.028 2.215) 2.473 5.670 ( -3.157 -2.748 -2.564) 4.909 5.840 ( -2.116 -4.719 -1.242) 5.319 5.957 ( 2.794 -5.108 4.130) 7.139 5.999 ( -1.065 1.413 -0.582) 1.863 6.122 ( 1.015 4.538 1.098) 4.778 6.321 ( -1.071 -0.769 -1.925) 2.333 6.386 ( 1.146 2.003 0.017) 2.308 6.433 ( -1.801 0.142 0.631) 1.913 6.726 ( 0.936 -1.791 0.598) 2.107 6.988 ( -0.322 1.450 -0.307) 1.517 7.107 ( 0.037 -2.621 -0.157) 2.626 7.473 ( 0.401 0.058 -0.937) 1.021 7.702 ( -0.434 4.137 1.201) 4.329 ======================= Grid point 258 (105/324) ======================= q-point: (-0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -0.189 5.321 0.676) 5.367 2.531 ( 0.175 4.398 0.873) 4.488 2.850 ( 2.906 1.603 -5.309) 6.261 2.966 ( -5.070 13.128 -3.178) 14.427 3.009 ( 1.186 0.797 -1.303) 1.934 3.212 ( -0.728 2.416 -3.472) 4.292 3.484 ( 1.358 -5.894 9.347) 11.133 3.802 ( -0.229 7.521 1.539) 7.681 3.907 ( 0.915 5.785 1.709) 6.101 4.141 ( -0.037 -1.084 -2.424) 2.656 4.385 ( 0.678 3.729 0.836) 3.881 4.474 ( 0.122 4.150 0.047) 4.152 4.616 ( 1.064 1.281 2.955) 3.392 4.678 ( -1.117 1.915 -1.094) 2.472 5.187 ( -1.321 0.885 -1.256) 2.026 5.290 ( 4.090 1.883 2.549) 5.174 5.356 ( -0.220 -3.420 0.005) 3.427 5.693 ( -2.310 -2.753 -4.815) 6.008 5.828 ( -1.704 2.743 -5.083) 6.022 5.981 ( 1.397 3.723 1.801) 4.365 6.057 ( -2.566 -5.101 -0.260) 5.716 6.148 ( 2.259 -4.939 4.191) 6.860 6.320 ( -1.034 -2.767 -1.045) 3.133 6.381 ( 2.036 0.419 -0.283) 2.098 6.403 ( -1.812 1.550 -0.397) 2.418 6.765 ( 0.690 -1.700 1.624) 2.450 6.950 ( -0.247 2.516 0.942) 2.698 7.169 ( 0.212 -3.693 0.183) 3.704 7.482 ( 0.803 -0.593 -0.003) 0.999 7.607 ( -0.969 5.501 -0.221) 5.590 ======================= Grid point 259 (106/324) ======================= q-point: (-0.14 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -0.675 13.398 2.176) 13.590 2.394 ( -1.996 14.117 -1.372) 14.324 2.639 ( -2.539 10.334 -1.754) 10.785 2.816 ( 0.418 3.754 -9.349) 10.083 2.993 ( 2.232 1.031 -1.185) 2.730 3.173 ( -0.056 1.518 -2.326) 2.778 3.568 ( 0.732 6.686 4.909) 8.327 3.639 ( 2.410 6.564 9.266) 11.608 3.774 ( 0.152 7.993 3.983) 8.932 4.105 ( -2.575 4.745 -4.553) 7.062 4.255 ( 3.191 7.832 -1.194) 8.541 4.456 ( -0.591 -0.547 1.974) 2.132 4.597 ( 0.481 2.703 1.422) 3.092 4.659 ( 0.796 -0.610 2.295) 2.504 5.130 ( -1.870 3.803 -1.090) 4.375 5.270 ( 3.366 2.188 1.633) 4.334 5.404 ( -1.320 -1.155 -1.163) 2.105 5.709 ( 0.564 0.528 -4.639) 4.703 5.763 ( -3.049 0.840 -3.585) 4.780 5.944 ( 0.780 -0.510 -2.723) 2.878 6.065 ( -4.701 1.595 3.122) 5.864 6.270 ( 0.054 -6.574 -0.781) 6.621 6.316 ( 2.499 5.059 -0.193) 5.646 6.420 ( 0.552 -3.238 0.343) 3.303 6.459 ( 0.048 -8.898 -0.297) 8.903 6.804 ( 0.770 -1.690 2.296) 2.953 6.900 ( -0.102 2.976 2.738) 4.045 7.235 ( -2.880 -3.098 0.688) 4.286 7.475 ( -1.168 2.262 -0.453) 2.586 7.528 ( 4.275 1.448 -0.510) 4.542 ======================= Grid point 260 (107/324) ======================= q-point: (-0.07 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -0.176 17.297 5.162) 18.051 2.005 ( -2.854 22.433 1.309) 22.652 2.483 ( -3.161 6.961 -6.786) 10.223 2.688 ( 0.494 7.240 -12.635) 14.571 2.995 ( 2.857 2.146 3.780) 5.201 3.143 ( 1.192 1.780 1.238) 2.475 3.297 ( 1.631 17.117 6.170) 18.268 3.504 ( -0.720 11.684 -0.029) 11.706 3.735 ( 2.437 1.572 11.563) 11.921 3.908 ( -3.293 11.405 -7.225) 13.896 4.149 ( 2.498 6.058 -0.880) 6.612 4.465 ( 0.278 0.437 1.926) 1.995 4.546 ( -0.476 1.995 1.214) 2.384 4.691 ( 0.223 -0.886 -0.339) 0.975 5.047 ( -0.197 3.758 0.629) 3.815 5.245 ( 2.708 3.086 3.610) 5.468 5.377 ( -1.088 1.426 -6.657) 6.894 5.649 ( 1.903 5.187 -1.632) 5.761 5.750 ( -4.030 -1.122 0.823) 4.264 5.982 ( 1.029 -3.094 -5.621) 6.498 6.033 ( -6.751 -1.203 2.951) 7.465 6.235 ( 2.632 4.565 1.442) 5.464 6.377 ( -2.053 -5.489 -3.984) 7.087 6.492 ( 2.155 -3.930 1.578) 4.752 6.609 ( -1.395 -5.917 -2.135) 6.443 6.854 ( 1.076 1.235 4.408) 4.702 6.871 ( 2.752 -2.767 2.593) 4.686 7.224 ( -11.074 0.568 0.734) 11.113 7.470 ( 8.394 -0.504 -1.255) 8.502 7.558 ( 3.005 -2.514 0.807) 4.000 ======================= Grid point 265 (108/324) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 4.371 0.000 17.288) 17.832 1.252 ( 16.174 0.000 1.559) 16.249 1.550 ( -1.265 -0.000 -15.144) 15.197 1.971 ( -3.343 -0.000 1.677) 3.740 2.229 ( 11.211 0.000 18.163) 21.345 2.407 ( -9.733 -0.000 -4.211) 10.605 2.771 ( -6.964 -0.000 -10.922) 12.953 3.311 ( 3.541 0.000 1.866) 4.003 3.321 ( 1.441 0.000 1.289) 1.934 3.572 ( 0.196 0.000 0.065) 0.206 4.059 ( -1.036 -0.000 -0.913) 1.381 4.315 ( 0.151 0.000 0.617) 0.635 4.436 ( -0.584 -0.000 -0.973) 1.135 4.693 ( -0.615 -0.000 -0.216) 0.652 4.904 ( -0.575 -0.000 -0.372) 0.684 4.994 ( 1.135 0.000 -0.100) 1.139 5.048 ( 0.645 0.000 -4.550) 4.595 5.393 ( 2.762 0.000 0.152) 2.766 5.709 ( -4.418 -0.000 -3.230) 5.473 6.147 ( -3.440 -0.000 1.660) 3.819 6.158 ( 1.167 0.000 0.081) 1.170 6.281 ( -7.963 -0.000 10.352) 13.060 6.380 ( -1.224 -0.000 0.044) 1.225 6.649 ( -3.654 -0.000 -3.786) 5.262 6.716 ( 4.068 0.000 1.422) 4.309 6.917 ( -0.380 -0.000 -2.159) 2.192 7.272 ( -3.997 -0.000 6.884) 7.960 7.399 ( -5.594 -0.000 -5.305) 7.709 7.658 ( 8.017 0.000 -5.677) 9.823 8.137 ( 5.517 0.000 2.039) 5.882 ======================= Grid point 266 (109/324) ======================= q-point: ( 0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 6.848 -2.830 14.718) 16.478 1.470 ( 0.353 -9.074 -8.448) 12.403 1.609 ( 8.970 -11.971 0.008) 14.959 2.010 ( 4.178 -1.580 0.505) 4.495 2.258 ( -8.444 -7.503 2.052) 11.480 2.615 ( -1.721 -17.773 -3.418) 18.180 2.718 ( -2.468 -0.035 3.600) 4.365 3.290 ( 0.774 3.345 0.466) 3.465 3.443 ( 1.931 -10.356 1.082) 10.590 3.545 ( -0.169 2.241 -2.237) 3.171 4.038 ( 0.056 0.929 -0.852) 1.262 4.367 ( -0.213 -4.383 -0.628) 4.433 4.440 ( -0.495 -1.093 0.067) 1.201 4.666 ( -0.272 1.785 0.866) 2.003 4.926 ( -0.613 -2.416 -0.292) 2.510 5.016 ( 1.647 -1.993 0.806) 2.708 5.127 ( 1.073 -7.741 -6.537) 10.189 5.410 ( 1.540 -0.664 1.681) 2.374 5.697 ( -2.214 -1.277 -2.786) 3.781 6.080 ( -2.936 6.152 0.620) 6.844 6.145 ( -2.780 -0.203 2.065) 3.469 6.264 ( -5.326 1.215 8.292) 9.929 6.337 ( -2.119 3.683 -1.099) 4.389 6.675 ( -2.546 -4.498 -1.773) 5.465 6.732 ( 5.023 1.147 1.828) 5.467 6.888 ( -0.535 2.240 -3.349) 4.065 7.208 ( -1.727 6.826 7.206) 10.075 7.289 ( -5.665 5.334 -6.649) 10.235 7.681 ( 8.113 0.190 -4.296) 9.182 8.119 ( 4.240 4.701 1.463) 6.498 ======================= Grid point 267 (110/324) ======================= q-point: ( 0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 10.550 -6.348 11.189) 16.637 1.590 ( -8.475 -12.652 -7.623) 17.030 1.955 ( 11.848 -9.560 14.307) 20.892 2.067 ( -0.515 -9.375 -12.743) 15.829 2.482 ( -6.737 -16.611 0.672) 17.938 2.778 ( -5.532 -12.435 -6.724) 15.180 2.987 ( 3.050 -17.135 9.594) 19.874 3.220 ( -1.240 3.228 -0.000) 3.458 3.482 ( 0.539 2.883 -3.352) 4.454 3.685 ( 0.449 -13.154 -0.184) 13.163 4.029 ( 0.630 0.066 -1.100) 1.270 4.434 ( 1.073 -2.256 -0.825) 2.631 4.498 ( 0.130 -5.262 1.229) 5.405 4.647 ( -0.452 0.332 1.941) 2.020 4.980 ( -0.341 -3.365 0.495) 3.419 5.085 ( 1.332 -3.976 1.762) 4.548 5.254 ( 2.147 -6.067 -12.152) 13.751 5.459 ( 0.735 -3.844 3.407) 5.189 5.723 ( -0.942 -2.910 -0.823) 3.168 5.938 ( -2.027 7.621 2.548) 8.288 6.132 ( -5.633 0.773 0.425) 5.702 6.226 ( -1.972 3.713 5.741) 7.115 6.235 ( -3.551 3.188 0.442) 4.793 6.715 ( 1.061 2.058 1.961) 3.034 6.752 ( 0.869 -1.428 -2.243) 2.798 6.808 ( 0.430 3.546 -2.931) 4.621 7.095 ( 0.208 4.713 4.416) 6.462 7.144 ( -4.071 6.179 -4.380) 8.599 7.704 ( 6.919 0.264 -3.774) 7.886 8.020 ( 2.694 7.563 1.452) 8.159 ======================= Grid point 268 (111/324) ======================= q-point: ( 0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 2.943 -7.376 -0.495) 7.957 1.857 ( -1.502 -17.063 4.659) 17.751 2.109 ( -2.207 -8.674 -2.168) 9.209 2.314 ( 7.055 -11.009 6.082) 14.421 2.749 ( -1.745 -12.852 -1.893) 13.108 3.027 ( -5.198 -12.585 -8.185) 15.887 3.198 ( -1.343 -7.331 1.536) 7.610 3.329 ( 1.429 -11.410 7.707) 13.843 3.468 ( 1.439 -5.144 -2.673) 5.973 3.912 ( -0.957 -10.711 -2.646) 11.074 4.029 ( 0.648 -0.047 -0.900) 1.110 4.477 ( 0.850 -2.040 0.225) 2.222 4.601 ( 1.475 -3.516 0.096) 3.814 4.674 ( -0.677 -3.809 2.119) 4.411 5.044 ( -0.156 -3.065 1.372) 3.362 5.172 ( -0.775 -4.137 1.201) 4.377 5.313 ( 4.630 -3.160 -11.214) 12.537 5.551 ( 0.405 -3.457 -1.760) 3.901 5.770 ( -4.268 3.392 1.602) 5.682 5.827 ( 3.337 -1.222 6.239) 7.180 6.039 ( -3.839 4.198 -3.050) 6.454 6.164 ( -5.348 2.261 7.242) 9.282 6.219 ( -1.135 -1.019 1.120) 1.892 6.650 ( -0.522 4.588 -2.977) 5.494 6.675 ( 2.362 5.236 1.697) 5.990 6.827 ( -1.592 -0.928 -1.189) 2.193 6.992 ( -0.250 5.952 -0.463) 5.975 7.070 ( -0.486 0.036 -1.197) 1.293 7.707 ( 4.829 1.713 -4.870) 7.069 7.891 ( 1.635 6.938 3.285) 7.849 ======================= Grid point 269 (112/324) ======================= q-point: ( 0.57 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -1.409 -7.661 -3.118) 8.390 2.188 ( 1.778 -15.585 6.438) 16.956 2.301 ( -4.699 -14.032 -2.779) 15.056 2.556 ( 6.389 -9.483 9.029) 14.570 2.892 ( 3.106 -2.731 -3.742) 5.577 3.082 ( -3.509 -1.472 -1.738) 4.184 3.456 ( -0.342 -12.904 -0.138) 12.910 3.516 ( -3.395 -15.117 -3.994) 16.000 3.702 ( 3.152 -12.467 5.642) 14.042 3.983 ( -2.801 0.401 -6.832) 7.394 4.093 ( 1.844 -5.402 1.383) 5.873 4.514 ( -0.064 -1.298 0.056) 1.301 4.648 ( -0.069 -2.237 -1.295) 2.586 4.765 ( -0.389 -4.129 -0.233) 4.154 5.097 ( -0.752 -2.872 0.208) 2.976 5.234 ( -0.221 -3.134 -0.166) 3.146 5.392 ( 7.807 -3.655 -5.175) 10.054 5.545 ( -2.980 2.503 -3.853) 5.477 5.643 ( -2.255 5.321 4.560) 7.361 5.952 ( -0.457 -3.719 3.826) 5.356 5.991 ( 2.756 -1.740 1.527) 3.599 6.122 ( -5.203 0.686 5.240) 7.416 6.247 ( -1.109 -1.956 -0.192) 2.256 6.560 ( 0.988 5.445 0.067) 5.535 6.607 ( 0.291 1.912 -0.196) 1.944 6.740 ( -2.128 7.210 -0.582) 7.540 6.961 ( 0.280 -1.429 -1.914) 2.405 7.071 ( -0.275 -0.392 -1.881) 1.941 7.639 ( 1.310 5.171 -5.313) 7.529 7.825 ( 2.235 2.472 4.730) 5.786 ======================= Grid point 270 (113/324) ======================= q-point: (-0.36 -0.71 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -1.971 -6.875 -2.795) 7.679 2.470 ( 1.562 -11.820 3.841) 12.526 2.562 ( -3.680 -15.183 1.339) 15.680 2.768 ( 4.606 -7.240 5.531) 10.208 2.909 ( 4.856 0.553 -0.797) 4.952 3.092 ( -2.027 -1.882 0.084) 2.767 3.685 ( -0.216 -11.327 1.246) 11.397 3.758 ( -3.363 -11.031 -6.683) 13.329 3.873 ( -1.910 0.722 -5.163) 5.552 3.955 ( 1.588 -3.995 3.609) 5.613 4.205 ( 1.611 -6.661 -0.418) 6.866 4.513 ( -1.003 1.052 -1.165) 1.863 4.680 ( -0.281 -1.133 -1.560) 1.948 4.805 ( -1.720 -1.477 -3.296) 4.000 5.155 ( -0.857 -3.481 -0.295) 3.597 5.291 ( 3.198 -1.627 0.399) 3.610 5.396 ( 2.493 6.422 -0.665) 6.921 5.506 ( -0.664 -2.992 -0.647) 3.132 5.633 ( -1.700 -3.740 3.917) 5.676 5.948 ( 1.665 2.565 2.763) 4.121 6.057 ( -2.021 -0.781 2.888) 3.611 6.158 ( -0.004 -4.029 1.993) 4.495 6.283 ( -0.273 -2.747 -0.996) 2.935 6.444 ( 1.082 6.859 1.241) 7.054 6.595 ( -1.604 6.580 -0.801) 6.820 6.621 ( 0.312 -2.689 -0.177) 2.713 6.985 ( -0.738 -1.463 -2.277) 2.806 7.068 ( -0.225 -0.049 -1.830) 1.844 7.538 ( -0.238 3.927 -3.631) 5.354 7.810 ( 1.512 1.838 3.876) 4.549 ======================= Grid point 271 (114/324) ======================= q-point: (-0.29 -0.71 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -0.982 -5.646 -1.412) 5.902 2.640 ( 0.362 -4.132 -1.579) 4.438 2.779 ( 0.156 -5.104 3.956) 6.459 2.885 ( 5.065 -6.358 1.840) 8.334 2.981 ( -0.464 -4.921 5.198) 7.173 3.154 ( 0.215 -5.242 0.758) 5.301 3.666 ( -4.048 9.944 -8.627) 13.772 3.879 ( -0.718 -5.728 -0.600) 5.804 3.916 ( -0.495 -5.230 -1.441) 5.448 4.032 ( 1.114 -2.172 1.742) 2.999 4.371 ( 1.009 -8.797 -0.728) 8.884 4.470 ( -1.579 1.611 -2.188) 3.142 4.669 ( -0.788 1.138 -1.902) 2.352 4.797 ( 0.249 1.456 -1.644) 2.210 5.200 ( -0.620 -1.467 -1.280) 2.043 5.293 ( 0.091 3.186 0.108) 3.189 5.326 ( 2.919 0.137 3.209) 4.340 5.589 ( 0.311 -4.696 0.480) 4.730 5.732 ( -1.148 -5.503 2.575) 6.183 5.927 ( 2.097 0.315 4.310) 4.803 6.034 ( -0.968 2.200 -1.197) 2.685 6.213 ( 0.718 0.378 2.162) 2.310 6.285 ( -1.607 1.863 -3.159) 4.004 6.396 ( 1.824 -1.739 1.462) 2.914 6.476 ( -1.633 5.191 -0.324) 5.451 6.683 ( 0.219 -3.155 0.048) 3.163 6.994 ( -0.795 -0.426 -1.678) 1.905 7.070 ( -0.086 -0.928 -1.056) 1.408 7.480 ( -0.259 1.272 -2.210) 2.563 7.778 ( 0.331 3.170 2.791) 4.237 ======================= Grid point 272 (115/324) ======================= q-point: (-0.21 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -0.535 -2.382 -0.071) 2.442 2.621 ( 0.580 3.918 -0.969) 4.078 2.847 ( 3.180 -1.494 -0.344) 3.531 3.006 ( 3.477 -1.809 0.912) 4.024 3.064 ( -2.614 -1.791 2.106) 3.804 3.259 ( -2.606 -1.254 0.294) 2.907 3.438 ( -1.322 4.829 -2.203) 5.470 3.895 ( -0.214 2.404 -0.112) 2.417 3.971 ( 1.124 0.104 0.861) 1.420 4.090 ( -0.905 -3.255 -1.871) 3.862 4.413 ( -0.354 1.112 -0.793) 1.411 4.511 ( -0.831 -2.971 -0.717) 3.167 4.643 ( -0.670 0.537 -0.147) 0.871 4.740 ( 2.654 4.784 0.419) 5.487 5.196 ( -0.215 0.802 -0.792) 1.148 5.285 ( -1.794 -2.551 -0.063) 3.119 5.343 ( 2.562 0.884 2.653) 3.793 5.643 ( 0.357 -1.327 -2.025) 2.447 5.824 ( -1.029 -2.675 0.427) 2.898 5.964 ( -1.183 -1.881 -0.635) 2.311 6.028 ( 3.459 -2.809 3.809) 5.862 6.129 ( -0.216 5.001 -0.190) 5.010 6.298 ( -1.481 -1.854 -1.823) 2.992 6.385 ( -1.490 2.879 0.017) 3.242 6.431 ( 1.148 0.056 0.236) 1.174 6.734 ( -0.138 -2.246 0.699) 2.356 6.984 ( -0.131 1.027 -0.388) 1.106 7.103 ( -0.613 -2.858 -0.294) 2.937 7.472 ( 0.442 -0.578 -0.895) 1.153 7.707 ( -0.090 4.915 1.289) 5.082 ======================= Grid point 273 (116/324) ======================= q-point: (-0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -1.309 5.150 0.787) 5.372 2.545 ( 1.766 4.805 0.998) 5.216 2.849 ( 2.200 2.263 -4.781) 5.729 2.894 ( -5.573 14.914 -4.239) 16.475 3.021 ( 2.912 1.138 -2.034) 3.730 3.186 ( -1.743 1.317 -2.229) 3.121 3.547 ( 1.741 -6.946 9.671) 12.033 3.813 ( 0.412 6.508 2.285) 6.910 3.922 ( 0.603 5.734 1.039) 5.859 4.113 ( -2.197 -0.608 -3.872) 4.493 4.399 ( 1.306 2.112 0.494) 2.532 4.477 ( -0.230 4.411 0.822) 4.493 4.648 ( 0.934 -0.353 3.490) 3.630 4.673 ( 1.918 3.216 0.202) 3.750 5.173 ( -0.669 1.693 -0.175) 1.829 5.318 ( 0.416 1.401 -1.493) 2.089 5.348 ( -1.656 -3.328 0.664) 3.776 5.667 ( 0.894 -1.612 -2.170) 2.847 5.789 ( -1.045 2.767 -4.573) 5.447 5.980 ( -0.868 4.686 -3.781) 6.083 6.045 ( -1.113 -4.167 3.344) 5.457 6.190 ( 1.907 -4.160 4.075) 6.127 6.295 ( -2.344 -3.249 -1.646) 4.331 6.383 ( -0.999 -1.207 -0.605) 1.679 6.411 ( 3.258 1.814 0.140) 3.732 6.774 ( -0.766 -2.050 1.330) 2.560 6.954 ( 0.014 2.151 1.397) 2.565 7.160 ( -2.116 -3.485 0.272) 4.086 7.486 ( -0.003 -0.309 0.265) 0.407 7.613 ( 2.464 4.930 -0.589) 5.543 ======================= Grid point 274 (117/324) ======================= q-point: (-0.07 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -1.124 12.419 2.551) 12.728 2.369 ( -1.506 16.430 -1.642) 16.581 2.610 ( -1.858 9.532 -0.959) 9.759 2.780 ( 1.697 5.027 -8.893) 10.355 3.005 ( 1.628 0.112 -2.413) 2.913 3.158 ( -1.342 0.570 -0.898) 1.712 3.603 ( 1.356 8.760 5.342) 10.349 3.695 ( 1.513 6.821 3.754) 7.931 3.806 ( 0.464 4.212 7.956) 9.015 4.051 ( -3.064 5.696 -5.261) 8.337 4.279 ( 2.721 8.051 -1.317) 8.600 4.466 ( 0.159 -0.855 2.831) 2.961 4.617 ( 1.837 3.901 1.790) 4.669 4.680 ( 1.072 -0.940 2.574) 2.943 5.114 ( -0.821 3.717 0.120) 3.809 5.296 ( 2.179 0.664 -2.000) 3.031 5.380 ( -2.876 -0.106 -0.218) 2.887 5.677 ( -2.784 -0.805 -2.641) 3.921 5.734 ( 0.470 2.136 -3.820) 4.402 5.927 ( 0.943 -1.266 -6.228) 6.425 6.046 ( -4.050 3.199 5.711) 7.697 6.256 ( -1.936 -4.341 -0.724) 4.808 6.336 ( 1.456 3.871 -0.507) 4.167 6.422 ( 0.476 -6.400 -1.040) 6.501 6.473 ( 2.342 -5.876 0.959) 6.398 6.817 ( -0.609 -2.905 1.464) 3.310 6.916 ( 0.193 2.468 3.371) 4.182 7.187 ( -6.810 -0.485 0.664) 6.860 7.484 ( 2.050 -0.280 0.871) 2.245 7.574 ( 6.088 1.391 -1.655) 6.461 ======================= Grid point 280 (118/324) ======================= q-point: ( 0.36 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -4.875 -0.000 8.927) 10.172 1.383 ( 13.468 0.000 -5.395) 14.509 1.548 ( 9.051 0.000 -2.066) 9.284 1.970 ( -3.239 -0.000 8.366) 8.971 2.296 ( -0.594 -0.000 -12.865) 12.878 2.300 ( -7.600 -0.000 -3.108) 8.211 2.755 ( 1.149 0.000 16.294) 16.334 3.332 ( 0.693 0.000 -1.120) 1.317 3.340 ( 1.902 0.000 -0.658) 2.013 3.558 ( -0.847 -0.000 -4.097) 4.184 4.043 ( -0.804 -0.000 -1.486) 1.689 4.317 ( -0.057 -0.000 0.026) 0.063 4.429 ( -0.428 -0.000 0.317) 0.532 4.686 ( -0.487 -0.000 -0.323) 0.585 4.901 ( -0.185 -0.000 0.348) 0.394 5.005 ( 0.883 0.000 0.256) 0.919 5.034 ( 1.215 0.000 -3.876) 4.062 5.417 ( 0.693 0.000 2.437) 2.533 5.678 ( 1.782 0.000 -2.897) 3.401 6.093 ( -8.493 -0.000 0.276) 8.497 6.169 ( 1.037 0.000 0.027) 1.037 6.268 ( -5.466 -0.000 8.809) 10.367 6.368 ( -1.126 -0.000 -0.070) 1.128 6.605 ( -1.987 -0.000 -2.484) 3.181 6.772 ( 5.000 0.000 1.990) 5.381 6.897 ( -1.109 -0.000 -2.545) 2.776 7.272 ( -2.654 -0.000 1.575) 3.086 7.307 ( -5.662 -0.000 -3.856) 6.850 7.711 ( 7.551 0.000 -3.656) 8.390 8.186 ( 3.126 0.000 0.423) 3.154 ======================= Grid point 281 (119/324) ======================= q-point: ( 0.43 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -3.902 -9.243 6.998) 12.232 1.446 ( 8.270 0.465 -4.213) 9.293 1.714 ( 8.255 -15.519 0.811) 17.597 2.054 ( 2.672 4.158 -2.485) 5.532 2.154 ( -9.727 -12.498 0.637) 15.850 2.506 ( -4.516 -12.989 -13.052) 18.959 2.831 ( 3.307 -4.033 22.228) 22.832 3.289 ( -0.252 3.830 -1.964) 4.312 3.454 ( 0.455 -10.375 -1.317) 10.468 3.520 ( -0.701 2.022 -5.794) 6.177 4.032 ( 0.084 0.314 -1.500) 1.535 4.365 ( 0.224 -4.567 -0.262) 4.580 4.439 ( -0.206 -1.210 1.346) 1.822 4.667 ( -0.398 1.334 0.564) 1.502 4.925 ( 0.053 -2.362 0.925) 2.538 5.033 ( 0.913 -2.448 0.886) 2.759 5.103 ( 1.369 -6.625 -6.588) 9.443 5.432 ( 0.175 -0.927 3.720) 3.838 5.692 ( 4.050 -0.699 -2.248) 4.685 6.027 ( -8.010 2.896 0.679) 8.545 6.138 ( -0.885 2.588 1.434) 3.088 6.253 ( -5.016 1.141 6.209) 8.063 6.320 ( -0.464 4.023 -0.511) 4.082 6.647 ( -1.775 -4.547 -1.444) 5.090 6.787 ( 4.391 1.176 0.195) 4.550 6.867 ( -0.515 2.083 -1.497) 2.617 7.191 ( -5.770 5.111 -7.974) 11.091 7.236 ( 0.302 5.200 5.213) 7.370 7.733 ( 6.615 0.306 -2.926) 7.239 8.151 ( 1.677 4.687 -0.201) 4.982 ======================= Grid point 282 (120/324) ======================= q-point: ( 0.50 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -6.615 -6.515 -9.318) 13.154 1.600 ( 9.005 -11.922 14.672) 20.940 1.950 ( -8.656 -3.873 -12.239) 15.483 2.136 ( 11.240 -16.276 8.025) 21.346 2.450 ( -2.342 -16.553 3.968) 17.182 2.682 ( -4.029 -13.443 -8.760) 16.543 3.086 ( 2.714 -14.708 14.809) 21.047 3.201 ( -1.524 3.641 -1.789) 4.334 3.459 ( -0.133 2.086 -6.254) 6.594 3.675 ( -0.952 -12.666 -2.612) 12.968 4.026 ( 0.367 -0.013 -1.916) 1.950 4.447 ( 1.644 -2.284 0.478) 2.854 4.506 ( -0.060 -6.169 2.040) 6.498 4.645 ( -1.264 0.507 0.682) 1.523 4.988 ( 0.394 -3.403 2.199) 4.071 5.097 ( -0.698 -3.606 0.543) 3.713 5.214 ( 2.801 -5.939 -11.081) 12.881 5.487 ( 1.718 -3.396 3.225) 4.988 5.732 ( 3.006 -2.111 0.071) 3.674 5.928 ( -3.154 4.750 2.886) 6.391 6.072 ( -6.306 3.194 -0.241) 7.073 6.217 ( -1.312 2.100 1.427) 2.858 6.239 ( -1.492 3.714 5.090) 6.475 6.689 ( -2.839 0.005 -3.324) 4.371 6.784 ( 3.034 -0.329 -1.684) 3.486 6.805 ( 1.640 4.791 1.580) 5.305 7.063 ( -4.415 2.839 -6.143) 8.080 7.136 ( 1.443 6.767 3.370) 7.696 7.745 ( 5.332 0.870 -2.981) 6.170 8.038 ( 0.126 7.216 0.311) 7.224 ======================= Grid point 283 (121/324) ======================= q-point: (-0.43 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -5.861 -8.761 -7.449) 12.908 1.936 ( 7.124 -14.978 11.635) 20.260 2.009 ( -9.766 -10.796 -8.232) 16.724 2.469 ( 10.777 -9.312 14.851) 20.577 2.732 ( -0.628 -13.743 -1.600) 13.850 2.944 ( -1.912 -14.250 -9.307) 17.127 3.178 ( -2.990 -5.544 -0.302) 6.306 3.374 ( -0.046 -5.687 4.093) 7.007 3.481 ( 2.548 -11.172 1.937) 11.621 3.871 ( -2.556 -8.791 -6.304) 11.115 4.035 ( 1.093 -1.773 -0.594) 2.166 4.488 ( 0.777 -1.527 0.939) 1.954 4.607 ( 0.165 -2.109 -0.724) 2.236 4.670 ( -1.861 -4.870 1.229) 5.356 5.049 ( -0.477 -2.286 1.155) 2.605 5.157 ( -2.089 -3.913 -0.867) 4.520 5.315 ( 6.331 -5.763 -8.080) 11.772 5.550 ( 1.810 -0.853 -2.597) 3.278 5.747 ( -2.235 3.642 1.746) 4.616 5.894 ( 1.337 -2.132 7.671) 8.073 5.984 ( -2.905 1.377 -2.101) 3.840 6.163 ( -2.547 3.191 6.830) 7.957 6.219 ( -0.707 -0.379 1.735) 1.911 6.627 ( -0.751 3.147 -3.001) 4.413 6.708 ( 1.890 6.445 2.011) 7.011 6.806 ( -0.807 0.004 -2.133) 2.280 6.985 ( -0.499 3.948 -1.800) 4.367 7.056 ( -0.452 1.097 -1.793) 2.150 7.720 ( 3.217 3.474 -5.042) 6.917 7.914 ( -0.580 5.374 3.289) 6.327 ======================= Grid point 284 (122/324) ======================= q-point: (-0.36 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -4.789 -9.176 -5.949) 11.939 2.215 ( -8.054 -16.222 -0.322) 18.114 2.266 ( 5.233 -14.017 5.673) 16.001 2.695 ( 8.476 -6.492 14.157) 17.731 2.906 ( 3.448 -4.178 -3.482) 6.439 3.045 ( -1.569 -2.495 -2.658) 3.969 3.426 ( -3.170 -18.261 -5.076) 19.217 3.479 ( -1.496 -9.268 -0.215) 9.390 3.762 ( 2.869 -11.647 5.665) 13.266 3.911 ( -3.547 -0.800 -8.663) 9.395 4.121 ( 2.404 -4.925 1.019) 5.574 4.512 ( -0.456 -0.508 -0.023) 0.683 4.634 ( -0.776 -2.317 -1.796) 3.032 4.743 ( -2.464 -2.947 -2.360) 4.509 5.087 ( -1.377 -2.762 -0.336) 3.104 5.233 ( -0.079 -4.819 0.051) 4.820 5.443 ( 7.666 -5.122 -4.016) 10.056 5.503 ( -1.491 4.202 -3.887) 5.915 5.650 ( -0.787 4.731 4.019) 6.257 5.939 ( -4.132 -2.921 1.344) 5.235 6.054 ( 4.289 -3.028 6.536) 8.384 6.120 ( -0.933 0.927 6.660) 6.789 6.237 ( -0.523 -1.533 -0.541) 1.708 6.572 ( 1.288 3.718 0.545) 3.973 6.604 ( -0.494 3.554 -0.641) 3.645 6.726 ( -0.097 6.873 -0.782) 6.918 6.948 ( -0.403 -0.634 -2.654) 2.758 7.050 ( -1.257 -0.917 -3.344) 3.689 7.619 ( 0.381 5.714 -5.344) 7.832 7.860 ( -0.079 1.995 4.742) 5.145 ======================= Grid point 285 (123/324) ======================= q-point: (-0.29 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -2.438 -8.452 -3.815) 9.588 2.498 ( -1.857 -12.778 5.344) 13.974 2.538 ( -0.743 -14.474 0.704) 14.510 2.859 ( 6.463 -3.354 6.208) 9.569 2.953 ( 3.796 -1.079 2.983) 4.946 3.080 ( -0.435 -2.890 -0.191) 2.929 3.666 ( -3.545 -9.489 -3.918) 10.861 3.713 ( -0.413 -12.965 -1.213) 13.028 3.803 ( -3.972 2.180 -10.072) 11.044 3.993 ( 1.735 -5.504 4.082) 7.068 4.227 ( 2.960 -5.936 0.061) 6.633 4.494 ( -1.344 1.638 -1.522) 2.609 4.665 ( -0.399 -0.737 -2.687) 2.815 4.765 ( -2.588 -2.757 -3.457) 5.123 5.143 ( -1.370 -3.569 -0.181) 3.828 5.319 ( 2.184 -2.841 0.086) 3.584 5.381 ( -3.384 5.370 -0.654) 6.380 5.541 ( 7.187 -1.573 -0.308) 7.364 5.643 ( -0.712 -3.754 4.387) 5.818 5.976 ( 0.344 -0.016 2.728) 2.749 6.048 ( -2.425 1.264 3.830) 4.706 6.178 ( 1.529 -1.434 2.020) 2.911 6.287 ( 1.636 -3.624 0.671) 4.033 6.460 ( 0.733 7.024 1.293) 7.179 6.566 ( -2.474 4.543 -1.562) 5.403 6.635 ( 2.204 -0.556 -0.230) 2.284 6.960 ( -1.683 -1.580 -3.087) 3.854 7.054 ( -0.264 -0.765 -2.485) 2.613 7.515 ( -0.550 3.601 -3.704) 5.195 7.836 ( -0.599 2.068 4.037) 4.575 ======================= Grid point 286 (124/324) ======================= q-point: (-0.21 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -0.514 -6.611 -1.554) 6.811 2.634 ( -0.235 -2.613 -1.386) 2.967 2.803 ( 0.368 -8.845 4.391) 9.882 2.937 ( 2.497 -5.150 3.064) 6.492 3.019 ( 3.006 -1.690 5.686) 6.650 3.162 ( 0.087 -5.397 1.543) 5.614 3.575 ( -4.663 9.269 -10.211) 14.558 3.855 ( -2.191 -6.013 -2.635) 6.921 3.912 ( 0.384 -7.629 -0.072) 7.639 4.048 ( 0.950 -0.243 0.980) 1.386 4.381 ( 1.751 -7.838 -0.812) 8.072 4.444 ( -1.220 1.776 -2.157) 3.049 4.645 ( -1.107 0.737 -3.709) 3.940 4.800 ( 0.495 -0.773 0.554) 1.072 5.188 ( -0.528 -1.532 -1.262) 2.054 5.275 ( -3.370 3.022 0.152) 4.529 5.363 ( 1.820 -0.568 1.777) 2.606 5.617 ( 4.284 -2.568 1.293) 5.159 5.746 ( 0.680 -5.229 4.011) 6.625 5.960 ( 0.286 1.456 3.245) 3.568 6.026 ( 0.268 0.970 -0.549) 1.146 6.221 ( -0.594 -3.343 -0.308) 3.409 6.268 ( 0.255 7.490 0.163) 7.496 6.412 ( 0.004 -1.507 0.926) 1.768 6.461 ( -0.416 4.406 -0.952) 4.527 6.685 ( 0.257 -2.755 -0.001) 2.767 6.975 ( -1.242 -1.442 -2.031) 2.783 7.066 ( 0.370 -0.979 -1.175) 1.574 7.467 ( -0.152 0.567 -2.100) 2.180 7.789 ( -1.053 3.465 2.789) 4.570 ======================= Grid point 287 (125/324) ======================= q-point: (-0.14 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -0.611 -2.309 0.010) 2.388 2.625 ( 1.056 2.210 -0.667) 2.538 2.871 ( 1.943 0.356 -0.280) 1.995 3.037 ( -1.378 0.717 0.003) 1.553 3.059 ( 3.280 0.784 1.335) 3.627 3.219 ( -4.212 3.069 -2.271) 5.684 3.434 ( 0.194 -4.231 2.723) 5.035 3.894 ( -0.093 1.065 0.132) 1.078 3.986 ( 1.257 0.248 0.469) 1.364 4.063 ( -1.672 -1.898 -3.172) 4.056 4.408 ( 0.247 0.363 -0.715) 0.839 4.500 ( -0.647 -3.005 -0.526) 3.119 4.630 ( -0.615 -0.608 -1.690) 1.899 4.784 ( 3.742 3.878 3.402) 6.373 5.191 ( -0.019 0.435 -0.552) 0.703 5.249 ( -4.964 -2.342 -0.283) 5.496 5.366 ( 1.136 1.549 -1.351) 2.348 5.661 ( 3.641 -0.469 1.247) 3.878 5.821 ( -0.562 0.727 1.164) 1.483 5.957 ( 0.125 -3.068 0.480) 3.108 6.071 ( 1.916 -1.554 1.008) 2.665 6.116 ( -1.351 3.813 -1.418) 4.286 6.281 ( -0.697 -2.010 0.077) 2.129 6.366 ( -1.918 2.456 -0.257) 3.126 6.449 ( 2.031 0.397 0.201) 2.079 6.729 ( -1.262 -2.241 0.334) 2.594 6.983 ( 0.246 0.273 -0.213) 0.425 7.094 ( -0.812 -2.447 -0.182) 2.585 7.472 ( 0.491 -1.054 -0.818) 1.422 7.712 ( -0.089 4.660 1.144) 4.799 ======================= Grid point 288 (126/324) ======================= q-point: (-0.07 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -1.767 5.037 0.990) 5.429 2.573 ( 2.937 5.674 0.874) 6.449 2.820 ( -4.577 10.880 -4.344) 12.577 2.844 ( 0.937 5.735 -3.908) 7.003 3.039 ( 3.139 3.151 -2.891) 5.305 3.156 ( -2.589 0.642 -1.064) 2.872 3.618 ( 2.523 -7.644 9.901) 12.760 3.832 ( 0.872 5.638 2.315) 6.157 3.928 ( -0.069 5.913 0.520) 5.936 4.065 ( -2.711 -0.218 -5.047) 5.733 4.415 ( 1.506 1.478 0.387) 2.146 4.476 ( -0.968 3.236 1.212) 3.588 4.654 ( 0.070 -1.771 -0.156) 1.779 4.729 ( 5.028 4.660 5.148) 8.573 5.172 ( 0.162 2.017 0.659) 2.128 5.289 ( -3.693 -2.780 -1.672) 4.916 5.326 ( -1.353 -0.091 -4.082) 4.302 5.684 ( 2.003 1.041 2.083) 3.072 5.763 ( -0.148 2.376 -3.508) 4.239 5.939 ( -2.174 4.727 -5.299) 7.426 6.059 ( -0.206 -3.299 3.244) 4.631 6.225 ( 0.998 -0.874 3.953) 4.170 6.263 ( -1.963 -5.240 -2.465) 6.114 6.373 ( -0.219 -0.984 -0.799) 1.286 6.444 ( 3.090 0.213 0.600) 3.155 6.762 ( -2.626 -2.245 0.546) 3.498 6.966 ( 0.723 1.773 1.877) 2.681 7.138 ( -2.744 -2.347 0.361) 3.629 7.488 ( 0.015 -0.265 0.453) 0.525 7.640 ( 3.764 3.275 -0.834) 5.059 ======================= Grid point 295 (127/324) ======================= q-point: ( 0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -3.883 -0.000 7.478) 8.427 1.453 ( 9.331 0.000 -9.580) 13.374 1.640 ( 6.993 0.000 4.183) 8.149 1.961 ( -8.342 -0.000 6.968) 10.869 2.159 ( -4.925 -0.000 -23.905) 24.407 2.265 ( 1.167 0.000 3.923) 4.093 2.889 ( 2.246 0.000 23.657) 23.764 3.322 ( -0.328 -0.000 -3.423) 3.438 3.340 ( 0.039 0.000 -3.161) 3.161 3.516 ( -1.155 -0.000 -7.979) 8.062 4.031 ( 0.147 0.000 -1.598) 1.605 4.314 ( -0.315 -0.000 -0.575) 0.656 4.435 ( 0.506 0.000 1.994) 2.057 4.681 ( -0.121 -0.000 -0.235) 0.264 4.904 ( 0.115 0.000 0.998) 1.004 5.013 ( 0.503 0.000 0.498) 0.708 5.032 ( 1.757 0.000 -2.560) 3.105 5.432 ( -0.773 -0.000 4.057) 4.130 5.712 ( 7.818 0.000 -2.234) 8.131 6.006 ( -9.768 -0.000 0.878) 9.808 6.177 ( 0.590 0.000 -0.049) 0.592 6.255 ( -5.445 -0.000 5.401) 7.669 6.359 ( -0.700 -0.000 -0.156) 0.718 6.585 ( -0.479 -0.000 -1.199) 1.291 6.813 ( 2.624 0.000 -2.360) 3.530 6.880 ( -0.652 -0.000 0.797) 1.030 7.191 ( -5.011 -0.000 -8.666) 10.011 7.310 ( 0.823 0.000 4.398) 4.475 7.760 ( 5.789 0.000 -2.051) 6.141 8.200 ( 0.337 0.000 -1.462) 1.501 ======================= Grid point 296 (128/324) ======================= q-point: (-0.50 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -6.909 -4.540 1.157) 8.348 1.544 ( 9.669 -4.958 0.417) 10.874 1.750 ( -1.195 -10.600 1.740) 10.808 1.967 ( -4.746 -0.576 -15.123) 15.861 2.151 ( -1.050 -14.048 5.364) 15.074 2.447 ( 1.405 -11.035 -1.278) 11.198 2.967 ( 1.885 -3.164 20.138) 20.472 3.267 ( -1.118 3.927 -3.698) 5.509 3.437 ( -1.427 -9.381 -3.781) 10.215 3.476 ( -0.526 0.650 -8.401) 8.442 4.025 ( 0.378 0.313 -2.092) 2.148 4.367 ( 0.376 -5.425 0.018) 5.438 4.453 ( 0.758 -0.966 2.850) 3.104 4.665 ( -0.471 1.448 0.192) 1.535 4.935 ( 0.521 -2.740 1.925) 3.389 5.038 ( -0.552 -2.126 -0.195) 2.205 5.091 ( 2.419 -5.255 -4.650) 7.422 5.455 ( 0.343 -1.793 4.718) 5.059 5.743 ( 8.192 0.297 -1.695) 8.371 5.952 ( -8.475 1.139 1.555) 8.692 6.132 ( -1.597 4.303 0.146) 4.592 6.236 ( -3.900 0.610 4.124) 5.709 6.319 ( 0.021 3.397 0.526) 3.437 6.624 ( -1.355 -3.483 -1.900) 4.193 6.799 ( 1.143 1.189 -4.678) 4.961 6.875 ( 0.596 0.866 2.508) 2.719 7.101 ( -3.804 4.590 -7.600) 9.659 7.272 ( 2.100 5.245 3.686) 6.746 7.776 ( 4.775 0.509 -1.479) 5.025 8.148 ( -1.179 4.537 -1.967) 5.084 ======================= Grid point 297 (129/324) ======================= q-point: (-0.43 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -9.580 -6.841 -5.547) 13.013 1.727 ( -1.431 -9.472 -9.107) 13.218 1.830 ( -0.266 -5.588 11.194) 12.514 2.231 ( 5.394 -22.400 -4.017) 23.388 2.470 ( -1.088 -15.798 7.752) 17.631 2.642 ( 2.275 -10.391 -0.878) 10.673 3.149 ( -1.961 -3.851 1.298) 4.512 3.208 ( 2.442 -6.006 9.871) 11.810 3.416 ( -0.831 1.143 -8.558) 8.673 3.641 ( -2.032 -11.943 -4.764) 13.017 4.016 ( 0.138 -0.161 -2.748) 2.756 4.467 ( 1.548 -2.143 1.127) 2.874 4.520 ( 0.078 -6.386 3.190) 7.138 4.632 ( -1.590 1.156 -0.113) 1.969 5.006 ( 0.387 -2.981 2.785) 4.098 5.074 ( -2.472 -3.025 -2.365) 4.567 5.203 ( 4.492 -6.428 -7.132) 10.600 5.524 ( 2.831 -2.872 2.142) 4.566 5.772 ( 4.490 0.054 0.623) 4.533 5.902 ( -5.970 0.851 3.330) 6.889 6.025 ( -1.990 4.747 -1.189) 5.283 6.222 ( -0.385 0.801 3.028) 3.156 6.249 ( -1.217 4.036 4.397) 6.091 6.646 ( -1.971 -0.006 -3.886) 4.357 6.778 ( 0.243 -0.073 -3.323) 3.332 6.849 ( 2.907 4.492 2.983) 6.126 6.987 ( -4.371 1.868 -6.504) 8.056 7.169 ( 2.492 7.323 2.104) 8.016 7.774 ( 3.580 1.641 -2.227) 4.525 8.025 ( -2.687 6.452 -0.683) 7.022 ======================= Grid point 298 (130/324) ======================= q-point: (-0.36 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -8.369 -10.235 -6.504) 14.734 1.860 ( -10.802 -14.394 -8.926) 20.089 2.086 ( 8.660 -11.432 14.177) 20.166 2.639 ( 8.895 -13.010 10.470) 18.921 2.712 ( -2.214 -12.300 1.490) 12.586 2.905 ( 2.925 -13.909 -7.507) 16.074 3.145 ( -3.080 -4.629 -0.643) 5.597 3.365 ( -1.863 -2.133 -2.445) 3.742 3.536 ( 3.342 -14.911 7.079) 16.841 3.803 ( -3.544 -7.014 -8.613) 11.660 4.040 ( 1.047 -3.617 -1.334) 3.995 4.498 ( 0.140 -0.834 1.124) 1.407 4.599 ( -0.790 -0.419 -0.884) 1.258 4.657 ( -1.881 -4.941 1.450) 5.482 5.040 ( -1.441 -1.374 -1.099) 2.274 5.135 ( -1.344 -4.756 -0.419) 4.960 5.341 ( 6.383 -7.250 -5.937) 11.338 5.557 ( 2.964 1.603 -3.774) 5.059 5.744 ( -0.399 3.924 1.760) 4.319 5.877 ( -7.938 -0.542 3.387) 8.647 6.018 ( 6.216 -3.427 3.424) 7.881 6.185 ( -0.699 3.354 7.336) 8.096 6.224 ( 0.021 0.014 2.457) 2.457 6.609 ( -0.025 1.744 -2.165) 2.780 6.722 ( -0.180 6.372 -0.934) 6.443 6.796 ( 0.615 1.361 -1.032) 1.815 6.959 ( -1.973 -0.328 -3.453) 3.990 7.049 ( 0.753 5.354 -1.400) 5.585 7.716 ( 1.531 5.135 -5.129) 7.418 7.914 ( -2.979 3.520 3.248) 5.640 ======================= Grid point 299 (131/324) ======================= q-point: (-0.29 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -5.041 -11.239 -5.482) 13.483 2.132 ( -7.705 -19.745 -0.635) 21.205 2.360 ( 5.773 -10.361 8.111) 14.369 2.837 ( 4.641 -4.660 12.518) 14.141 2.925 ( 4.230 -6.174 -0.046) 7.484 3.029 ( 1.609 -2.693 -3.973) 5.062 3.363 ( -3.625 -16.915 -5.729) 18.223 3.471 ( -0.988 -10.974 1.080) 11.071 3.779 ( -2.441 -2.677 -7.430) 8.266 3.859 ( 0.443 -8.644 1.638) 8.809 4.146 ( 2.275 -5.526 -0.178) 5.979 4.504 ( -1.075 0.304 -0.036) 1.117 4.618 ( -0.985 -2.822 -1.163) 3.207 4.702 ( -2.666 -1.164 -3.103) 4.253 5.069 ( -1.968 -2.997 -0.270) 3.595 5.231 ( -0.192 -5.766 -0.425) 5.785 5.469 ( -0.130 4.036 -2.614) 4.810 5.500 ( 6.756 -5.011 -4.735) 9.653 5.672 ( 1.436 4.153 3.348) 5.524 5.900 ( -5.462 -4.391 2.114) 7.321 6.113 ( 0.438 1.491 7.877) 8.029 6.183 ( 5.799 -2.469 7.147) 9.529 6.232 ( -0.012 -0.679 -0.260) 0.727 6.584 ( -0.653 1.082 -0.950) 1.581 6.594 ( 0.701 6.067 -0.289) 6.114 6.729 ( 1.422 6.122 -0.972) 6.360 6.928 ( -0.753 0.894 -2.618) 2.867 7.014 ( -1.899 -1.827 -4.375) 5.107 7.592 ( -0.346 5.896 -4.903) 7.676 7.871 ( -2.616 1.423 4.310) 5.239 ======================= Grid point 300 (132/324) ======================= q-point: (-0.21 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -1.329 -10.229 -3.211) 10.803 2.489 ( -4.353 -18.623 5.232) 19.828 2.557 ( 2.055 -8.035 1.375) 8.407 2.923 ( 2.433 -1.103 1.936) 3.299 3.031 ( 5.767 -1.858 8.997) 10.847 3.081 ( 0.750 -3.827 -0.156) 3.903 3.603 ( -3.575 -8.025 -5.648) 10.444 3.700 ( -4.885 -0.418 -12.594) 13.515 3.717 ( 0.307 -12.491 1.325) 12.565 4.028 ( 1.546 -4.627 3.276) 5.876 4.255 ( 3.010 -5.790 -0.576) 6.551 4.474 ( -1.355 1.947 -1.146) 2.635 4.643 ( -0.529 0.741 -4.236) 4.332 4.727 ( -2.647 -5.141 -1.294) 5.925 5.127 ( -1.959 -3.751 0.122) 4.233 5.329 ( -0.187 -3.979 -0.309) 3.995 5.351 ( -1.214 5.626 -1.457) 5.937 5.617 ( 8.517 -1.439 -0.024) 8.638 5.665 ( 0.578 -3.807 4.547) 5.959 5.969 ( -3.179 -3.591 0.849) 4.870 6.065 ( -0.005 4.162 6.081) 7.369 6.199 ( 1.421 1.641 0.637) 2.262 6.321 ( 3.047 -4.276 2.953) 6.024 6.468 ( -0.210 7.081 0.558) 7.106 6.535 ( -2.208 4.621 -1.625) 5.373 6.660 ( 3.511 0.347 -0.594) 3.578 6.923 ( -2.396 -1.766 -3.238) 4.398 7.039 ( 0.058 -1.944 -2.782) 3.394 7.492 ( -0.522 3.151 -3.152) 4.487 7.839 ( -2.896 1.934 3.595) 5.005 ======================= Grid point 301 (133/324) ======================= q-point: (-0.14 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.567 -7.222 -1.086) 7.326 2.620 ( -1.290 -2.038 -1.086) 2.645 2.830 ( 0.864 -10.768 3.446) 11.339 2.965 ( 0.065 -3.756 3.922) 5.431 3.088 ( 4.863 -0.303 4.023) 6.319 3.171 ( -0.528 -3.996 3.371) 5.254 3.478 ( -4.249 7.404 -10.370) 13.431 3.819 ( -2.049 -7.763 -2.981) 8.565 3.918 ( 0.493 -7.733 0.415) 7.760 4.060 ( 1.133 1.144 0.010) 1.610 4.395 ( 2.009 -6.669 -1.085) 7.049 4.428 ( -0.356 1.442 -1.136) 1.870 4.614 ( -0.902 0.092 -3.974) 4.076 4.805 ( -0.881 -3.117 1.551) 3.591 5.175 ( -1.308 -2.028 -0.859) 2.562 5.246 ( -1.900 3.922 -0.059) 4.359 5.375 ( 0.119 -0.932 -0.862) 1.275 5.676 ( 5.053 -0.963 3.574) 6.264 5.784 ( 2.618 -5.237 4.174) 7.190 5.966 ( -0.723 2.681 0.236) 2.786 6.028 ( -0.259 -0.379 0.780) 0.905 6.205 ( -1.088 -1.423 -1.565) 2.378 6.283 ( 0.905 8.555 2.035) 8.840 6.403 ( -1.699 0.405 -0.137) 1.752 6.462 ( 0.917 1.213 -0.291) 1.548 6.690 ( 0.943 -1.523 -0.147) 1.797 6.951 ( -1.361 -2.700 -1.831) 3.535 7.066 ( 0.953 -1.060 -1.135) 1.823 7.457 ( 0.192 -0.083 -1.683) 1.696 7.785 ( -2.602 3.162 2.370) 4.732 ======================= Grid point 302 (134/324) ======================= q-point: (-0.07 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -0.312 -1.715 0.213) 1.756 2.633 ( 1.076 -0.244 -0.393) 1.171 2.877 ( 0.162 2.570 -1.663) 3.066 3.005 ( -2.659 5.501 -2.251) 6.511 3.112 ( 4.871 1.138 1.683) 5.278 3.168 ( -3.819 3.457 -1.451) 5.352 3.462 ( 0.854 -9.827 5.435) 11.262 3.894 ( -0.029 -0.804 0.252) 0.843 3.996 ( 0.141 -0.016 -0.301) 0.333 4.033 ( -0.307 0.760 -3.454) 3.550 4.413 ( 1.006 -0.555 0.079) 1.151 4.495 ( 0.001 -2.258 0.026) 2.258 4.617 ( -0.129 -1.440 -1.682) 2.218 4.832 ( 1.949 1.280 3.385) 4.110 5.190 ( -0.062 -0.441 -0.671) 0.805 5.201 ( -3.538 -0.866 -0.113) 3.644 5.352 ( -0.592 2.445 -4.402) 5.070 5.713 ( 3.704 -0.051 3.950) 5.415 5.824 ( -0.440 3.813 1.508) 4.124 5.970 ( 1.220 -4.147 1.606) 4.611 6.057 ( -2.512 6.719 -4.027) 8.226 6.104 ( -0.093 -4.488 -0.883) 4.574 6.288 ( 0.676 -1.345 2.315) 2.761 6.351 ( -0.826 1.955 -0.260) 2.138 6.467 ( 1.271 0.301 0.198) 1.321 6.716 ( -1.425 -1.503 -0.136) 2.075 6.985 ( 0.350 -0.869 -0.027) 0.937 7.088 ( -0.365 -1.598 0.140) 1.645 7.473 ( 0.502 -1.233 -0.772) 1.539 7.715 ( -0.407 3.520 0.888) 3.653 ======================= Grid point 310 (135/324) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -5.770 -0.000 8.019) 9.879 1.452 ( 0.569 0.000 -10.958) 10.973 1.711 ( 4.648 0.000 2.071) 5.089 1.910 ( -5.504 -0.000 3.665) 6.613 1.988 ( -6.117 -0.000 -19.958) 20.874 2.346 ( 6.286 0.000 10.276) 12.046 3.024 ( 2.032 0.000 20.590) 20.690 3.291 ( -1.377 -0.000 -4.572) 4.774 3.308 ( -1.887 -0.000 -5.552) 5.864 3.459 ( -0.765 -0.000 -10.328) 10.357 4.028 ( 0.969 0.000 -2.003) 2.225 4.306 ( -0.470 -0.000 -0.921) 1.034 4.459 ( 1.451 0.000 3.432) 3.727 4.681 ( 0.168 0.000 -0.260) 0.309 4.913 ( 0.383 0.000 1.568) 1.614 5.019 ( 0.073 0.000 0.595) 0.600 5.041 ( 2.094 0.000 -0.823) 2.250 5.449 ( -0.155 -0.000 4.348) 4.351 5.789 ( 9.569 0.000 -1.550) 9.694 5.927 ( -7.485 -0.000 1.396) 7.614 6.179 ( -0.082 -0.000 -0.112) 0.139 6.221 ( -6.013 -0.000 3.072) 6.752 6.354 ( -0.030 -0.000 -0.213) 0.215 6.578 ( -0.057 -0.000 -1.246) 1.247 6.799 ( 0.347 0.000 -6.617) 6.626 6.881 ( -1.743 -0.000 1.733) 2.458 7.123 ( -0.920 -0.000 -5.442) 5.519 7.345 ( 2.635 0.000 2.596) 3.699 7.800 ( 3.989 0.000 -0.289) 3.999 8.177 ( -2.519 -0.000 -3.381) 4.216 ======================= Grid point 311 (136/324) ======================= q-point: (-0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -10.424 -0.440 1.760) 10.580 1.524 ( -8.654 -7.628 -12.579) 17.067 1.804 ( 6.263 -5.832 12.188) 14.892 1.861 ( -0.389 -7.667 -15.069) 16.912 2.146 ( -2.641 -16.373 1.664) 16.668 2.512 ( 6.151 -8.927 9.064) 14.131 3.070 ( 1.436 -1.427 12.098) 12.267 3.240 ( -0.682 2.947 -1.528) 3.389 3.391 ( -2.707 -6.006 -5.613) 8.654 3.426 ( -0.593 -3.006 -9.039) 9.544 4.016 ( 0.440 0.801 -2.909) 3.049 4.372 ( 0.479 -6.474 0.167) 6.494 4.481 ( 1.217 -0.627 3.839) 4.076 4.661 ( -0.375 1.872 -0.011) 1.909 4.953 ( 0.812 -3.287 2.407) 4.154 5.024 ( -1.035 -0.632 -1.433) 1.877 5.099 ( 2.590 -4.605 -1.789) 5.578 5.486 ( 1.179 -2.638 3.831) 4.798 5.817 ( 7.481 1.005 -0.666) 7.578 5.891 ( -5.072 0.852 1.629) 5.394 6.109 ( -2.552 5.030 -0.966) 5.722 6.224 ( -2.830 -0.779 3.592) 4.639 6.325 ( 0.455 2.853 0.718) 2.977 6.602 ( -0.678 -2.216 -2.475) 3.390 6.776 ( 0.211 0.395 -6.847) 6.862 6.877 ( -2.109 -0.279 0.720) 2.246 7.055 ( 0.046 5.602 -3.182) 6.443 7.311 ( 3.109 5.224 1.843) 6.352 7.809 ( 2.990 0.857 0.090) 3.112 8.109 ( -4.028 4.292 -3.617) 6.909 ======================= Grid point 312 (137/324) ======================= q-point: (-0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -11.366 -6.332 -2.158) 13.189 1.550 ( -13.833 -8.719 -14.414) 21.797 1.994 ( 10.356 -7.439 17.460) 21.621 2.212 ( 0.324 -25.898 -10.930) 28.112 2.485 ( -2.270 -18.317 4.804) 19.072 2.718 ( 7.383 -7.005 9.096) 13.650 3.117 ( -1.458 0.056 -4.208) 4.454 3.296 ( 2.266 -8.959 12.174) 15.284 3.356 ( -1.278 -0.479 -10.166) 10.258 3.591 ( -2.455 -10.836 -5.597) 12.440 4.000 ( -0.047 -0.380 -3.494) 3.515 4.484 ( 0.778 -2.009 0.941) 2.351 4.542 ( 0.506 -6.085 4.510) 7.591 4.618 ( -1.219 1.983 -0.107) 2.330 5.009 ( -1.486 -0.758 -1.275) 2.099 5.049 ( -0.428 -3.995 0.455) 4.043 5.216 ( 4.301 -6.875 -4.769) 9.408 5.559 ( 3.179 -2.432 -0.165) 4.006 5.811 ( 0.528 2.655 1.519) 3.104 5.858 ( -3.875 1.021 1.940) 4.452 6.023 ( 2.218 1.539 -1.002) 2.879 6.232 ( -2.428 0.121 5.419) 5.939 6.271 ( 1.903 3.341 3.443) 5.161 6.617 ( -0.083 -0.287 -3.206) 3.220 6.757 ( -0.432 0.296 -4.809) 4.838 6.876 ( -0.069 0.721 0.372) 0.814 6.923 ( -2.408 5.089 -3.481) 6.619 7.204 ( 3.017 7.940 0.984) 8.551 7.789 ( 1.822 2.706 -1.819) 3.735 7.981 ( -5.512 5.244 -1.232) 7.707 ======================= Grid point 313 (138/324) ======================= q-point: (-0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -8.220 -11.465 -3.880) 14.631 1.719 ( -10.348 -18.096 -5.967) 21.683 2.238 ( 8.349 -8.859 13.057) 17.851 2.659 ( 0.243 -21.130 -6.783) 22.193 2.775 ( 0.085 -11.081 12.122) 16.424 2.923 ( 6.470 -8.977 -2.898) 11.439 3.123 ( -0.916 -3.981 0.945) 4.193 3.326 ( -2.339 -3.067 -4.264) 5.750 3.599 ( 2.072 -14.116 4.434) 14.940 3.723 ( -3.264 -6.005 -7.351) 10.038 4.039 ( 0.731 -5.027 -2.359) 5.601 4.501 ( -0.709 -0.212 0.948) 1.203 4.584 ( -1.468 0.403 -0.482) 1.596 4.657 ( -0.215 -3.433 2.647) 4.341 5.014 ( -1.889 -1.680 -2.605) 3.630 5.126 ( -0.560 -4.584 -0.059) 4.619 5.370 ( 5.491 -8.088 -5.022) 10.990 5.563 ( 2.886 3.561 -5.079) 6.842 5.752 ( -1.161 2.378 2.450) 3.606 5.829 ( -4.230 -0.063 2.723) 5.031 6.087 ( 4.320 -4.684 2.566) 6.870 6.210 ( -2.181 1.753 6.792) 7.346 6.266 ( 4.692 0.982 5.974) 7.660 6.606 ( 1.275 0.950 -1.261) 2.029 6.697 ( -1.555 4.926 -4.894) 7.116 6.801 ( 0.131 3.332 0.307) 3.348 6.917 ( -2.262 -3.101 -4.229) 5.712 7.055 ( 1.735 8.625 -0.736) 8.828 7.697 ( -0.034 6.284 -5.132) 8.113 7.890 ( -5.401 1.794 3.145) 6.502 ======================= Grid point 314 (139/324) ======================= q-point: (-0.21 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -3.344 -13.202 -3.272) 14.007 2.068 ( -6.026 -22.690 1.275) 23.512 2.451 ( 4.742 -7.051 7.312) 11.210 2.879 ( -0.286 -5.672 1.651) 5.914 3.009 ( 3.347 -5.173 5.713) 8.402 3.034 ( 4.683 -4.336 -0.173) 6.384 3.304 ( -3.108 -15.420 -4.351) 16.321 3.473 ( 0.209 -12.704 1.671) 12.815 3.674 ( -5.611 0.759 -14.066) 15.163 3.901 ( 2.358 -10.368 5.526) 11.983 4.160 ( 1.559 -6.403 -1.624) 6.787 4.491 ( -1.643 0.843 -0.017) 1.846 4.604 ( -1.290 -3.728 0.105) 3.946 4.669 ( -1.006 1.395 -2.629) 3.142 5.048 ( -2.075 -3.308 0.051) 3.905 5.225 ( -0.291 -5.996 -1.321) 6.147 5.455 ( 0.361 5.852 -2.437) 6.349 5.538 ( 5.818 -7.405 -4.253) 10.333 5.711 ( 3.381 3.131 2.650) 5.316 5.864 ( -4.699 -4.598 3.197) 7.310 6.155 ( -0.105 2.193 7.731) 8.037 6.226 ( 0.184 -2.919 -0.461) 2.961 6.289 ( 6.446 0.719 7.781) 10.130 6.552 ( -2.754 4.357 -3.514) 6.238 6.612 ( 2.083 2.637 0.548) 3.405 6.739 ( 1.768 4.325 -1.718) 4.979 6.911 ( -0.373 3.985 -1.781) 4.381 6.974 ( -1.408 -3.430 -4.401) 5.755 7.563 ( -0.772 5.616 -4.156) 7.030 7.854 ( -5.225 0.837 3.575) 6.386 ======================= Grid point 315 (140/324) ======================= q-point: (-0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.478 -11.617 -1.703) 11.751 2.478 ( -3.521 -19.970 5.207) 20.936 2.580 ( 1.522 -5.630 0.968) 5.912 2.945 ( 0.806 -1.697 1.568) 2.447 3.076 ( 0.417 -3.030 -1.789) 3.543 3.145 ( 5.087 -2.091 11.420) 12.675 3.536 ( -3.939 1.403 -9.478) 10.359 3.594 ( -3.677 -11.022 -9.032) 14.717 3.729 ( 0.636 -12.383 1.442) 12.483 4.056 ( 1.520 -3.438 2.195) 4.353 4.276 ( 2.344 -6.182 -1.481) 6.775 4.458 ( -1.092 1.769 -0.265) 2.096 4.614 ( -0.629 1.764 -4.606) 4.972 4.703 ( -2.426 -6.208 0.911) 6.727 5.108 ( -1.932 -3.652 0.314) 4.143 5.321 ( -0.668 -4.231 -1.282) 4.471 5.340 ( 0.561 5.716 -1.351) 5.900 5.692 ( 6.247 -6.285 -1.536) 8.994 5.704 ( 3.554 0.001 5.490) 6.540 5.939 ( -3.727 -3.945 0.902) 5.502 6.097 ( -0.113 5.017 6.094) 7.895 6.214 ( 1.480 2.758 0.062) 3.130 6.360 ( 1.497 -3.152 2.075) 4.060 6.459 ( -1.510 5.020 -0.926) 5.323 6.512 ( -1.349 6.710 -0.198) 6.847 6.697 ( 5.101 1.167 -0.619) 5.269 6.883 ( -2.599 -2.201 -2.624) 4.299 7.031 ( 1.254 -3.009 -2.512) 4.116 7.474 ( -0.259 2.559 -2.300) 3.450 7.817 ( -5.198 1.480 2.793) 6.084 ======================= Grid point 316 (141/324) ======================= q-point: (-0.07 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 1.730 -7.256 -0.366) 7.468 2.598 ( -2.306 -2.157 -0.637) 3.221 2.852 ( 1.320 -10.401 0.934) 10.526 2.984 ( -0.268 -2.990 3.938) 4.952 3.120 ( -0.517 -1.594 -0.429) 1.730 3.208 ( 2.715 0.418 7.352) 7.848 3.393 ( -2.831 3.365 -8.962) 9.982 3.791 ( -1.007 -8.891 -1.773) 9.122 3.922 ( -0.218 -7.159 0.017) 7.162 4.071 ( 1.762 1.747 -0.764) 2.596 4.405 ( 1.282 -4.408 -1.767) 4.919 4.428 ( 0.984 -0.816 0.404) 1.341 4.591 ( -0.256 -0.601 -2.620) 2.700 4.795 ( -2.994 -4.396 1.519) 5.531 5.155 ( -1.622 -1.971 -0.534) 2.608 5.245 ( 1.628 4.278 -0.374) 4.593 5.360 ( -1.266 -0.606 -2.340) 2.728 5.743 ( 3.893 -0.090 5.460) 6.707 5.833 ( 3.432 -5.211 2.805) 6.842 5.950 ( -1.530 1.269 -2.289) 3.031 6.032 ( -0.150 1.199 1.795) 2.164 6.184 ( -1.941 2.565 -1.338) 3.484 6.297 ( 0.245 6.425 0.944) 6.499 6.390 ( -0.860 0.801 -0.087) 1.178 6.467 ( -0.070 -0.289 0.359) 0.466 6.702 ( 1.903 0.256 -0.370) 1.956 6.933 ( -0.748 -3.767 -0.934) 3.952 7.073 ( 1.757 -1.072 -0.966) 2.274 7.453 ( 0.582 -0.525 -1.204) 1.437 7.764 ( -4.090 2.271 1.738) 4.990 ======================= Grid point 325 (142/324) ======================= q-point: (-0.43 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -13.886 -0.000 3.628) 14.352 1.343 ( -11.051 -0.000 -10.608) 15.318 1.699 ( -2.754 -0.000 -21.184) 21.363 1.909 ( 1.238 0.000 10.280) 10.354 1.922 ( 4.189 0.000 3.305) 5.336 2.468 ( 6.837 0.000 11.815) 13.651 3.134 ( 3.366 0.000 9.456) 10.038 3.247 ( -3.736 -0.000 -7.696) 8.554 3.268 ( 0.057 0.000 1.613) 1.614 3.394 ( -1.441 -0.000 -10.845) 10.940 4.025 ( 1.050 0.000 -3.036) 3.212 4.297 ( -0.460 -0.000 -0.931) 1.039 4.493 ( 1.425 0.000 3.980) 4.227 4.681 ( 0.226 0.000 -0.457) 0.510 4.927 ( 0.615 0.000 1.933) 2.028 5.021 ( -0.327 -0.000 0.573) 0.660 5.062 ( 2.115 0.000 1.141) 2.403 5.470 ( 0.393 0.000 2.683) 2.712 5.840 ( -1.749 -0.000 1.527) 2.322 5.911 ( 6.433 0.000 -0.711) 6.472 6.175 ( -0.704 -0.000 -0.128) 0.716 6.177 ( -5.850 -0.000 1.867) 6.140 6.356 ( 0.618 0.000 -0.249) 0.666 6.571 ( 0.529 0.000 -2.158) 2.222 6.752 ( -1.064 -0.000 -10.341) 10.395 6.871 ( -1.619 -0.000 2.479) 2.961 7.112 ( 1.465 0.000 -1.527) 2.116 7.383 ( 3.445 0.000 0.591) 3.495 7.834 ( 2.516 0.000 1.650) 3.008 8.118 ( -5.098 -0.000 -5.083) 7.200 ======================= Grid point 326 (143/324) ======================= q-point: (-0.36 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -15.579 -0.101 0.936) 15.607 1.324 ( -17.043 -4.504 -13.176) 22.008 1.736 ( -4.801 -16.780 -18.635) 25.532 1.992 ( 11.144 -3.305 18.414) 21.776 2.146 ( 1.499 -16.169 2.954) 16.504 2.630 ( 6.654 -8.683 11.420) 15.814 3.097 ( -0.149 1.502 -3.363) 3.686 3.246 ( 0.439 -0.815 -0.978) 1.346 3.341 ( -2.304 0.920 -4.240) 4.912 3.382 ( 0.079 -8.622 -1.886) 8.826 4.001 ( 0.079 1.342 -3.889) 4.115 4.379 ( 0.767 -7.518 0.180) 7.559 4.511 ( 0.700 -0.335 3.970) 4.045 4.658 ( -0.138 2.156 0.033) 2.160 4.974 ( 0.967 -3.699 2.281) 4.452 5.007 ( -0.955 0.934 -1.218) 1.808 5.118 ( 2.212 -4.090 0.059) 4.651 5.510 ( 0.928 -3.201 0.891) 3.450 5.825 ( -4.659 0.513 1.928) 5.068 5.920 ( 8.001 2.769 -0.040) 8.466 6.079 ( -2.017 4.301 -2.061) 5.178 6.217 ( -2.713 -1.874 3.861) 5.077 6.336 ( 1.311 2.087 0.708) 2.564 6.590 ( 1.159 -1.721 -2.833) 3.511 6.727 ( -1.135 -0.848 -9.842) 9.944 6.864 ( -1.384 0.699 2.039) 2.562 7.052 ( 0.416 6.206 -0.720) 6.261 7.348 ( 3.461 5.159 0.336) 6.221 7.834 ( 1.357 1.540 1.504) 2.545 8.036 ( -6.605 4.028 -4.902) 9.159 ======================= Grid point 327 (144/324) ======================= q-point: (-0.29 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -13.016 -7.361 0.344) 14.958 1.348 ( -14.119 -12.166 -11.092) 21.689 2.136 ( -3.459 -27.302 -9.662) 29.167 2.180 ( 9.472 -7.331 13.849) 18.310 2.497 ( 0.466 -17.680 5.415) 18.497 2.839 ( 6.724 -6.205 9.097) 12.903 3.090 ( 0.364 -1.521 -3.573) 3.900 3.281 ( -2.691 0.157 -9.983) 10.341 3.362 ( 0.583 -10.462 3.777) 11.138 3.554 ( -0.391 -8.747 -0.711) 8.785 3.979 ( -0.342 -0.712 -4.167) 4.241 4.491 ( -0.022 -1.529 0.660) 1.665 4.573 ( 0.609 -5.739 4.618) 7.391 4.612 ( -0.078 2.163 0.929) 2.355 4.979 ( -1.596 0.209 -2.960) 3.369 5.057 ( 0.121 -3.379 1.516) 3.705 5.232 ( 3.733 -7.122 -3.639) 8.826 5.577 ( 2.279 -2.397 -3.152) 4.569 5.772 ( -7.546 2.542 2.634) 8.387 5.881 ( 4.461 3.812 0.254) 5.873 6.046 ( 3.291 -1.389 -1.130) 3.746 6.235 ( -3.492 0.195 7.162) 7.971 6.321 ( 4.600 0.888 3.983) 6.149 6.614 ( 2.682 -0.480 -2.733) 3.859 6.716 ( -1.830 -0.248 -7.444) 7.670 6.849 ( -2.596 -0.319 -1.603) 3.067 6.912 ( -0.511 7.261 0.518) 7.297 7.237 ( 3.200 8.346 0.347) 8.945 7.788 ( 0.177 4.211 -2.392) 4.846 7.910 ( -8.135 3.519 -0.721) 8.893 ======================= Grid point 328 (145/324) ======================= q-point: (-0.21 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -6.991 -13.415 -0.864) 15.152 1.609 ( -8.079 -21.899 -2.417) 23.467 2.374 ( 6.867 -6.547 11.322) 14.772 2.625 ( -0.403 -24.121 -6.905) 25.093 2.800 ( -2.808 -13.996 6.132) 15.536 2.961 ( 3.117 -3.269 -4.167) 6.145 3.156 ( 3.434 -3.429 7.239) 8.715 3.286 ( -1.261 -6.102 -3.482) 7.138 3.567 ( -4.236 -7.408 -10.809) 13.772 3.719 ( 2.270 -10.353 5.778) 12.072 4.029 ( 0.165 -5.967 -3.351) 6.845 4.495 ( -1.334 0.321 0.636) 1.512 4.572 ( -1.105 0.683 0.727) 1.489 4.679 ( 1.366 -1.403 3.251) 3.795 4.982 ( -1.732 -2.352 -2.582) 3.899 5.119 ( -0.527 -4.099 -1.182) 4.298 5.393 ( 4.642 -8.584 -4.535) 10.761 5.558 ( 1.707 4.374 -5.057) 6.900 5.738 ( -4.732 -1.783 4.266) 6.616 5.838 ( 3.158 2.665 1.218) 4.308 6.122 ( 1.891 -4.604 -0.093) 4.978 6.226 ( -2.132 1.129 8.127) 8.477 6.360 ( 6.914 0.332 7.775) 10.409 6.617 ( 0.621 2.626 -0.545) 2.753 6.649 ( -0.193 2.391 -7.795) 8.156 6.791 ( -2.478 3.354 -0.261) 4.178 6.883 ( -0.504 -3.294 -3.370) 4.739 7.073 ( 2.492 10.157 -0.064) 10.459 7.664 ( -1.215 6.569 -4.991) 8.339 7.844 ( -7.694 0.588 2.981) 8.272 ======================= Grid point 329 (146/324) ======================= q-point: (-0.14 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -1.464 -14.982 -0.683) 15.068 2.033 ( -3.578 -24.927 2.962) 25.356 2.523 ( 3.357 -3.861 5.816) 7.746 2.883 ( 0.542 -6.089 0.090) 6.114 3.005 ( -0.287 -3.221 -4.366) 5.433 3.107 ( 1.428 -12.970 5.975) 14.352 3.270 ( -0.801 -10.508 0.656) 10.559 3.492 ( 0.998 -12.831 1.584) 12.967 3.545 ( -4.885 1.240 -14.183) 15.052 3.951 ( 2.345 -9.310 4.887) 10.772 4.158 ( 0.595 -7.267 -2.893) 7.844 4.475 ( -1.736 0.884 0.093) 1.950 4.594 ( -1.638 -3.499 1.378) 4.102 4.656 ( 0.712 3.326 -1.917) 3.904 5.033 ( -1.243 -3.683 0.550) 3.926 5.210 ( -0.858 -5.949 -2.351) 6.454 5.452 ( 1.278 5.821 -1.585) 6.167 5.566 ( 4.554 -8.308 -4.036) 10.299 5.757 ( 2.965 0.802 2.339) 3.861 5.850 ( -1.604 -3.046 3.819) 5.141 6.188 ( -0.671 1.757 6.238) 6.516 6.225 ( -0.041 -2.265 0.180) 2.273 6.384 ( 5.236 2.925 6.766) 9.042 6.497 ( -3.752 4.168 -5.370) 7.765 6.636 ( 1.966 3.326 1.075) 4.010 6.741 ( 1.162 0.337 -2.499) 2.776 6.894 ( -1.747 5.956 -2.444) 6.671 6.962 ( 3.348 -3.146 -1.664) 4.886 7.536 ( -0.825 4.933 -3.223) 5.950 7.809 ( -7.725 0.284 2.674) 8.180 ======================= Grid point 330 (147/324) ======================= q-point: (-0.07 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 1.814 -12.553 -0.142) 12.684 2.473 ( -3.080 -18.214 4.293) 18.965 2.600 ( 1.873 -5.978 0.718) 6.305 2.958 ( 0.479 -2.282 1.168) 2.607 3.061 ( -1.585 -3.543 -1.937) 4.337 3.247 ( 3.894 -1.289 10.838) 11.589 3.424 ( -4.811 3.652 -14.483) 15.692 3.552 ( -0.731 -15.367 -1.644) 15.472 3.740 ( 0.313 -11.563 0.823) 11.597 4.081 ( 1.904 -2.325 1.086) 3.195 4.284 ( 1.386 -6.944 -2.093) 7.384 4.450 ( -0.835 1.305 0.485) 1.623 4.591 ( 0.069 1.735 -2.836) 3.325 4.684 ( -2.929 -5.529 1.443) 6.421 5.099 ( -0.249 -3.280 0.724) 3.368 5.295 ( -2.104 -3.615 -2.900) 5.090 5.353 ( 2.604 4.889 -0.169) 5.542 5.727 ( 3.402 -7.361 -1.323) 8.216 5.776 ( 5.513 -0.125 3.529) 6.547 5.912 ( -3.107 -2.854 1.658) 4.533 6.121 ( -1.143 4.996 5.008) 7.166 6.230 ( 1.802 3.444 -0.089) 3.888 6.363 ( -1.050 -0.601 -1.432) 1.875 6.434 ( -2.223 2.154 -1.319) 3.365 6.507 ( -0.763 7.961 1.425) 8.124 6.745 ( 4.787 2.314 -0.419) 5.333 6.852 ( -1.580 -3.454 -1.084) 3.950 7.042 ( 3.729 -3.135 -1.762) 5.181 7.463 ( 0.127 1.901 -1.383) 2.354 7.769 ( -7.285 0.722 1.823) 7.545 ======================= Grid point 340 (148/324) ======================= q-point: (-0.36 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -19.520 -0.000 -1.797) 19.603 1.150 ( -17.787 -0.000 -9.579) 20.202 1.484 ( -16.158 -0.000 -21.384) 26.802 2.010 ( 9.795 0.000 3.827) 10.517 2.065 ( 12.025 0.000 18.651) 22.191 2.590 ( 5.935 0.000 11.404) 12.856 3.157 ( 2.165 0.000 -7.005) 7.332 3.159 ( -5.388 -0.000 -9.380) 10.817 3.303 ( 0.545 0.000 -11.439) 11.452 3.358 ( 1.936 0.000 14.763) 14.890 4.014 ( 0.411 0.000 -4.475) 4.494 4.289 ( -0.341 -0.000 -0.709) 0.787 4.523 ( 0.590 0.000 3.662) 3.709 4.680 ( 0.131 0.000 -0.644) 0.657 4.943 ( 0.726 0.000 1.908) 2.041 5.019 ( -0.631 -0.000 0.491) 0.800 5.093 ( 1.827 0.000 3.320) 3.790 5.477 ( -0.111 -0.000 -0.831) 0.838 5.814 ( -4.065 -0.000 1.509) 4.336 5.995 ( 9.685 0.000 0.614) 9.705 6.130 ( -5.164 -0.000 0.264) 5.171 6.165 ( -1.054 -0.000 -0.092) 1.058 6.363 ( 1.017 0.000 -0.255) 1.048 6.560 ( 0.907 0.000 -6.656) 6.717 6.694 ( 0.516 0.000 -7.207) 7.225 6.880 ( -0.104 -0.000 3.603) 3.604 7.118 ( 0.490 0.000 -1.025) 1.136 7.415 ( 3.408 0.000 -0.758) 3.491 7.865 ( 1.459 0.000 3.022) 3.355 8.030 ( -7.054 -0.000 -6.128) 9.345 ======================= Grid point 341 (149/324) ======================= q-point: (-0.29 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -18.868 -2.538 -0.579) 19.047 1.086 ( -19.600 -4.517 -10.458) 22.670 1.563 ( -12.810 -22.521 -15.043) 29.959 2.167 ( 7.613 -5.484 9.646) 13.456 2.245 ( 12.790 -10.536 13.061) 21.099 2.747 ( 5.552 -8.961 11.094) 15.304 3.055 ( -1.817 1.407 -8.437) 8.744 3.201 ( -1.351 -2.899 -11.217) 11.664 3.278 ( -3.446 -1.192 -8.220) 8.993 3.449 ( 4.829 -3.825 12.899) 14.295 3.976 ( -0.709 1.612 -4.950) 5.253 4.389 ( 1.328 -8.422 0.034) 8.526 4.533 ( -0.087 -0.268 3.447) 3.458 4.659 ( 0.099 2.009 0.286) 2.032 4.992 ( 0.053 -1.531 1.075) 1.872 4.995 ( 0.122 -0.358 -0.066) 0.384 5.141 ( 1.736 -3.275 1.668) 4.065 5.509 ( -0.070 -3.553 -2.844) 4.552 5.786 ( -5.168 1.402 1.232) 5.495 5.988 ( 4.347 4.895 -0.353) 6.556 6.061 ( 2.313 1.722 -2.005) 3.512 6.214 ( -2.634 -2.668 4.849) 6.129 6.358 ( 2.447 0.582 0.964) 2.694 6.578 ( 0.941 -3.285 -9.184) 9.799 6.683 ( 1.683 0.504 -3.593) 4.000 6.870 ( -0.270 1.868 3.034) 3.573 7.043 ( -1.636 6.618 -1.230) 6.928 7.380 ( 3.219 4.933 -0.266) 5.896 7.849 ( -0.123 2.680 1.740) 3.198 7.936 ( -8.790 3.872 -5.098) 10.874 ======================= Grid point 342 (150/324) ======================= q-point: (-0.21 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -13.632 -10.299 2.355) 17.247 1.179 ( -11.644 -16.939 -5.801) 21.358 2.023 ( -8.832 -31.973 -9.222) 34.428 2.335 ( 8.425 -5.532 11.617) 15.379 2.563 ( 6.038 -13.523 7.837) 16.756 2.913 ( 2.214 -2.748 1.045) 3.680 3.102 ( 3.310 -6.851 2.709) 8.077 3.201 ( -3.174 -1.769 -9.753) 10.408 3.335 ( -3.460 -9.289 -6.452) 11.827 3.592 ( 3.534 -6.276 7.582) 10.458 3.950 ( -0.961 -1.193 -4.891) 5.126 4.491 ( -0.522 -0.830 0.324) 1.033 4.594 ( 0.192 -1.587 2.155) 2.683 4.632 ( 1.630 -2.364 3.729) 4.706 4.955 ( -0.762 1.137 -1.949) 2.381 5.059 ( -0.554 -2.347 -0.303) 2.431 5.249 ( 3.276 -7.187 -2.851) 8.397 5.568 ( 0.760 -2.731 -5.780) 6.437 5.719 ( -6.873 2.242 4.101) 8.312 5.923 ( 4.588 3.387 -1.103) 5.808 6.070 ( 3.099 -1.251 -1.436) 3.638 6.246 ( -2.810 -0.330 9.228) 9.652 6.395 ( 6.114 -1.553 4.417) 7.701 6.623 ( 1.732 -2.609 -9.411) 9.919 6.662 ( 0.041 1.733 -2.328) 2.902 6.828 ( -1.416 2.599 0.912) 3.097 6.902 ( -1.862 5.546 -0.497) 5.871 7.267 ( 2.939 8.476 0.245) 8.974 7.762 ( -1.856 5.816 -5.664) 8.328 7.827 ( -9.578 1.547 2.604) 10.046 ======================= Grid point 343 (151/324) ======================= q-point: (-0.14 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -5.798 -16.014 1.788) 17.125 1.546 ( -4.422 -24.983 1.348) 25.407 2.479 ( 3.534 -7.401 7.628) 11.200 2.578 ( -1.852 -26.016 -4.451) 26.459 2.810 ( -0.107 -9.822 4.071) 10.633 2.940 ( -0.132 -1.980 -7.704) 7.955 3.220 ( 0.335 -2.380 5.569) 6.065 3.286 ( 2.771 -9.628 2.454) 10.315 3.461 ( -3.919 -5.435 -11.945) 13.696 3.779 ( 2.889 -10.463 6.491) 12.647 4.008 ( -0.602 -6.587 -4.161) 7.815 4.483 ( -1.516 0.747 0.171) 1.698 4.572 ( -0.486 0.849 1.978) 2.207 4.712 ( 2.146 0.586 2.727) 3.519 4.956 ( -1.168 -3.142 -1.925) 3.866 5.103 ( -0.797 -3.851 -2.259) 4.535 5.412 ( 3.953 -8.775 -4.297) 10.540 5.547 ( 0.753 3.584 -3.697) 5.204 5.717 ( -4.504 -3.227 5.023) 7.478 5.887 ( 5.875 2.983 0.635) 6.619 6.127 ( 0.325 -4.108 -1.852) 4.518 6.256 ( -1.151 1.001 9.486) 9.608 6.462 ( 5.571 0.379 5.556) 7.877 6.568 ( -3.837 4.839 -4.875) 7.868 6.657 ( 4.900 -0.845 -4.075) 6.429 6.762 ( -2.551 3.245 0.504) 4.158 6.867 ( -0.091 -2.073 -2.734) 3.432 7.103 ( 3.498 10.016 0.588) 10.625 7.624 ( -1.752 5.814 -4.641) 7.643 7.776 ( -9.627 0.212 2.808) 10.031 ======================= Grid point 344 (152/324) ======================= q-point: (-0.07 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -0.588 -16.589 1.353) 16.655 2.029 ( -1.159 -25.962 3.871) 26.275 2.575 ( 2.393 -1.035 3.889) 4.682 2.888 ( 0.990 -6.182 -1.383) 6.412 2.969 ( -3.319 -4.331 -2.972) 6.214 3.104 ( -1.842 -20.721 -3.246) 21.054 3.305 ( 1.999 -4.339 8.216) 9.503 3.416 ( -5.103 -1.136 -11.063) 12.236 3.535 ( 3.025 -9.772 1.676) 10.366 3.996 ( 2.379 -8.301 3.773) 9.423 4.142 ( -0.433 -8.104 -3.807) 8.964 4.461 ( -1.358 0.613 0.306) 1.521 4.589 ( -1.505 -2.435 2.324) 3.687 4.656 ( 0.989 4.389 -1.676) 4.801 5.033 ( 0.366 -4.321 1.270) 4.519 5.185 ( -1.537 -5.523 -2.842) 6.398 5.461 ( 1.820 4.928 -1.159) 5.379 5.585 ( 3.611 -8.479 -3.580) 9.886 5.779 ( -1.058 -3.163 2.937) 4.444 5.882 ( 4.235 0.538 3.270) 5.377 6.197 ( -1.502 -1.457 0.989) 2.315 6.232 ( -0.632 1.403 3.687) 3.995 6.428 ( -4.045 2.783 -6.378) 8.049 6.453 ( 3.230 6.043 4.066) 7.967 6.657 ( 1.034 5.936 1.487) 6.206 6.743 ( 1.673 -4.139 -1.104) 4.599 6.856 ( -3.031 3.748 -2.476) 5.419 7.016 ( 8.173 -0.045 0.097) 8.174 7.516 ( -0.474 4.040 -2.176) 4.613 7.736 ( -9.907 -0.200 1.743) 10.061 ======================= Grid point 355 (153/324) ======================= q-point: (-0.29 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -21.265 -0.000 -4.258) 21.687 0.918 ( -21.166 -0.000 -8.072) 22.653 1.195 ( -24.203 -0.000 -14.915) 28.429 2.137 ( 11.999 0.000 4.419) 12.787 2.296 ( 15.148 0.000 18.901) 24.222 2.695 ( 4.438 0.000 9.749) 10.712 3.051 ( -6.706 -0.000 -10.050) 12.082 3.135 ( 2.507 0.000 -9.806) 10.121 3.220 ( -2.897 -0.000 -11.966) 12.311 3.489 ( 6.386 0.000 15.391) 16.664 3.984 ( -0.915 -0.000 -6.271) 6.337 4.283 ( -0.192 -0.000 -0.386) 0.431 4.541 ( -0.311 -0.000 2.763) 2.781 4.677 ( 0.037 0.000 -0.656) 0.657 4.959 ( 0.653 0.000 1.408) 1.552 5.014 ( -0.796 -0.000 0.422) 0.901 5.132 ( 1.430 0.000 6.062) 6.228 5.459 ( -0.557 -0.000 -4.510) 4.544 5.780 ( -4.480 -0.000 0.439) 4.502 6.071 ( -2.148 -0.000 -0.859) 2.313 6.101 ( 6.725 0.000 0.829) 6.776 6.155 ( -1.114 -0.000 -0.031) 1.114 6.372 ( 1.137 0.000 -0.214) 1.157 6.505 ( -0.608 -0.000 -13.065) 13.079 6.712 ( 5.708 0.000 1.119) 5.817 6.900 ( 0.143 0.000 3.590) 3.593 7.106 ( -1.138 -0.000 -2.249) 2.520 7.440 ( 2.586 0.000 -0.577) 2.650 7.883 ( -0.510 -0.000 -2.414) 2.468 7.933 ( -6.760 -0.000 -0.985) 6.832 ======================= Grid point 356 (154/324) ======================= q-point: (-0.21 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -19.315 -6.080 0.499) 20.256 0.857 ( -19.458 -7.609 -4.850) 21.449 1.348 ( -17.933 -28.269 -10.478) 35.079 2.284 ( 9.870 -6.696 5.607) 13.180 2.457 ( 13.800 -5.102 15.562) 21.416 2.846 ( 3.723 -8.887 9.747) 13.706 2.977 ( -4.306 -1.074 -10.527) 11.424 3.124 ( -1.207 -0.762 -13.455) 13.530 3.208 ( -3.331 -3.022 -5.108) 6.806 3.569 ( 6.072 -1.590 12.257) 13.771 3.935 ( -2.001 1.440 -6.238) 6.707 4.405 ( 2.336 -8.886 -0.389) 9.196 4.545 ( -0.412 -0.719 2.441) 2.578 4.663 ( 0.208 1.486 0.633) 1.629 4.988 ( -0.389 1.950 0.467) 2.043 5.006 ( 0.582 -3.205 0.107) 3.259 5.168 ( 1.229 -1.983 3.173) 3.938 5.482 ( -0.625 -3.672 -5.924) 6.998 5.740 ( -5.798 1.808 1.520) 6.260 5.982 ( -0.788 3.199 -4.519) 5.593 6.112 ( 6.530 2.513 0.266) 7.002 6.222 ( -1.646 -3.701 6.881) 7.984 6.394 ( 3.761 -1.632 1.688) 4.434 6.514 ( -0.977 -4.186 -13.120) 13.806 6.723 ( 6.030 2.366 1.701) 6.698 6.885 ( -0.289 2.404 3.170) 3.989 7.008 ( -3.468 7.078 -2.220) 8.189 7.406 ( 2.045 4.639 0.216) 5.074 7.813 ( -7.044 3.705 -8.968) 11.990 7.855 ( -4.754 4.326 5.394) 8.391 ======================= Grid point 357 (155/324) ======================= q-point: (-0.14 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -12.558 -14.065 4.834) 19.465 1.077 ( -6.944 -21.830 1.000) 22.929 1.884 ( -11.367 -35.484 -6.220) 37.775 2.465 ( 8.622 -5.570 8.073) 13.059 2.674 ( 7.743 -7.968 6.910) 13.084 2.897 ( -2.003 -0.164 -5.590) 5.940 3.122 ( -2.957 -4.399 -8.017) 9.611 3.168 ( 3.399 -12.481 6.978) 14.697 3.262 ( -3.411 -6.177 -6.974) 9.921 3.675 ( 4.586 -4.281 8.431) 10.509 3.908 ( -2.068 -1.947 -5.847) 6.501 4.486 ( -0.623 -0.126 -0.240) 0.680 4.605 ( 0.368 0.568 1.437) 1.589 4.671 ( 2.102 -5.274 3.315) 6.574 4.946 ( 0.176 2.498 -0.568) 2.568 5.043 ( -1.338 -1.782 -1.975) 2.978 5.265 ( 2.938 -7.110 -2.216) 8.006 5.534 ( -0.590 -3.146 -7.318) 7.988 5.689 ( -5.238 1.036 6.829) 8.669 5.953 ( 3.496 0.627 -2.146) 4.150 6.092 ( 3.272 1.089 -1.761) 3.872 6.281 ( -0.623 -0.697 11.368) 11.406 6.473 ( 5.604 -2.726 1.325) 6.371 6.550 ( -3.657 -2.795 -7.898) 9.141 6.694 ( 5.588 3.149 -1.849) 6.675 6.831 ( -0.309 3.784 3.144) 4.929 6.874 ( -2.105 3.766 -1.859) 4.698 7.293 ( 1.779 8.127 0.521) 8.336 7.689 ( -6.061 3.594 -6.431) 9.540 7.767 ( -7.009 3.205 3.773) 8.581 ======================= Grid point 358 (156/324) ======================= q-point: (-0.07 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -4.854 -18.500 3.862) 19.512 1.536 ( -1.131 -26.599 4.228) 26.956 2.466 ( -5.851 -28.885 -2.236) 29.556 2.604 ( 4.171 -5.021 3.901) 7.604 2.833 ( 1.843 -5.982 0.295) 6.266 2.893 ( -1.194 -2.809 -6.278) 6.981 3.235 ( -0.434 -8.229 2.050) 8.492 3.296 ( -2.288 -3.332 -4.280) 5.887 3.421 ( 2.630 -7.662 2.040) 8.353 3.835 ( 2.542 -9.441 4.734) 10.863 3.975 ( -1.305 -7.124 -4.386) 8.467 4.469 ( -1.266 0.871 -0.297) 1.565 4.580 ( -0.471 1.068 2.497) 2.756 4.741 ( 1.776 2.444 0.638) 3.087 4.942 ( -0.216 -4.322 -0.937) 4.427 5.086 ( -0.431 -3.669 -1.430) 3.961 5.424 ( 3.154 -8.341 -4.232) 9.870 5.534 ( 0.232 1.222 -3.329) 3.553 5.707 ( -3.632 -2.994 6.651) 8.148 5.951 ( 6.784 2.037 0.592) 7.108 6.113 ( -0.384 -3.328 -2.895) 4.428 6.301 ( 0.289 1.823 9.823) 9.995 6.440 ( -6.174 3.531 -7.339) 10.220 6.593 ( 5.750 2.275 5.554) 8.312 6.665 ( 1.399 -1.666 -4.831) 5.298 6.767 ( 1.897 4.270 2.760) 5.427 6.846 ( -1.314 -0.956 -3.058) 3.463 7.147 ( 4.903 7.902 1.064) 9.360 7.585 ( -1.782 3.975 -4.075) 5.965 7.693 ( -10.545 1.082 2.733) 10.947 ======================= Grid point 370 (157/324) ======================= q-point: (-0.21 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -20.748 -0.000 -0.626) 20.758 0.672 ( -22.873 -0.000 -5.247) 23.467 0.886 ( -28.727 -0.000 -6.026) 29.353 2.277 ( 12.291 0.000 4.504) 13.090 2.528 ( 14.064 0.000 14.199) 19.986 2.767 ( 2.070 0.000 3.733) 4.269 2.938 ( -6.837 -0.000 -6.079) 9.149 3.096 ( 2.034 0.000 -14.219) 14.364 3.149 ( -2.182 -0.000 -3.651) 4.254 3.623 ( 6.668 0.000 11.561) 13.346 3.928 ( -3.031 -0.000 -8.469) 8.995 4.281 ( -0.064 -0.000 -0.041) 0.076 4.545 ( -0.904 -0.000 1.280) 1.567 4.674 ( 0.039 0.000 -0.458) 0.460 4.969 ( 0.436 0.000 0.540) 0.694 5.008 ( -0.841 -0.000 0.379) 0.922 5.186 ( 1.640 0.000 9.774) 9.910 5.424 ( -0.314 -0.000 -7.049) 7.056 5.733 ( -5.606 -0.000 0.524) 5.630 6.016 ( -3.157 -0.000 -7.104) 7.774 6.145 ( -0.972 -0.000 0.021) 0.972 6.179 ( 5.103 0.000 1.858) 5.431 6.382 ( 1.047 0.000 -0.117) 1.054 6.445 ( 1.092 0.000 -8.186) 8.259 6.788 ( 6.992 0.000 2.509) 7.429 6.912 ( -1.684 -0.000 2.094) 2.688 7.084 ( 0.139 0.000 -2.039) 2.044 7.458 ( 0.615 0.000 1.124) 1.282 7.801 ( -4.902 -0.000 -10.493) 11.581 7.925 ( -2.163 -0.000 5.595) 5.998 ======================= Grid point 371 (158/324) ======================= q-point: (-0.14 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -16.541 -8.903 9.223) 20.927 0.683 ( -14.931 -14.325 2.789) 20.879 1.130 ( -18.605 -33.793 -5.064) 38.908 2.410 ( 10.579 -5.920 4.672) 12.992 2.639 ( 10.132 -2.740 7.076) 12.659 2.868 ( -6.038 -3.301 -11.728) 13.598 2.916 ( 1.601 -7.785 7.507) 10.933 3.049 ( -1.537 -0.355 -8.019) 8.173 3.170 ( -1.381 -3.266 -0.702) 3.615 3.684 ( 6.028 -0.688 9.849) 11.568 3.871 ( -3.796 0.853 -7.976) 8.875 4.429 ( 3.636 -8.130 -1.447) 9.022 4.551 ( -0.216 -2.015 0.626) 2.121 4.669 ( 0.226 0.885 0.863) 1.257 4.993 ( 0.454 1.065 1.304) 1.743 5.003 ( -0.495 -1.741 -1.547) 2.381 5.196 ( 0.672 -0.128 3.761) 3.822 5.440 ( -0.550 -3.428 -7.697) 8.443 5.701 ( -5.285 0.782 5.157) 7.425 5.952 ( 0.293 0.421 -4.956) 4.982 6.159 ( 3.522 2.992 -1.323) 4.807 6.263 ( 1.975 -5.731 9.461) 11.236 6.437 ( -1.238 -4.587 -4.359) 6.448 6.449 ( 4.321 -1.456 -3.141) 5.537 6.792 ( 5.866 3.420 1.057) 6.872 6.880 ( -4.141 2.048 0.138) 4.622 6.979 ( 0.350 7.814 1.107) 7.900 7.414 ( -1.803 4.498 1.051) 4.959 7.701 ( -6.648 3.880 -6.758) 10.243 7.831 ( -5.451 5.232 3.529) 8.339 ======================= Grid point 372 (159/324) ======================= q-point: (-0.07 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -9.381 -16.713 8.646) 21.026 1.054 ( -2.757 -24.860 6.579) 25.863 1.760 ( -9.317 -38.333 -1.751) 39.488 2.575 ( 6.831 -4.600 2.911) 8.734 2.747 ( 4.520 -4.402 -3.874) 7.404 2.843 ( -3.423 -0.798 -3.031) 4.641 3.070 ( -1.150 -7.067 -1.612) 7.339 3.193 ( -0.661 -10.108 -4.282) 10.997 3.250 ( 1.432 -7.802 7.686) 11.046 3.758 ( 4.011 -2.049 6.393) 7.820 3.850 ( -2.985 -3.604 -6.325) 7.868 4.477 ( -0.420 0.503 -0.941) 1.147 4.615 ( 0.188 1.028 1.282) 1.654 4.697 ( 1.022 -6.040 0.091) 6.127 4.945 ( 0.110 3.801 -1.586) 4.120 5.028 ( -0.090 -2.397 0.828) 2.537 5.282 ( 2.690 -6.889 -1.847) 7.623 5.486 ( -1.229 -3.490 -7.573) 8.429 5.691 ( -3.359 0.041 9.457) 10.036 5.972 ( 2.774 -1.917 -1.490) 3.687 6.111 ( 2.823 2.756 -2.355) 4.595 6.352 ( 2.562 0.201 11.423) 11.708 6.439 ( -4.415 0.364 -7.591) 8.789 6.555 ( 3.111 -5.179 2.591) 6.574 6.731 ( 4.405 4.432 -2.807) 6.850 6.825 ( -3.142 1.191 -0.159) 3.363 6.880 ( 4.196 4.818 1.902) 6.666 7.300 ( -1.269 6.281 0.755) 6.452 7.604 ( -5.532 2.148 -3.522) 6.901 7.723 ( -5.344 4.637 2.094) 7.378 ======================= Grid point 385 (160/324) ======================= q-point: (-0.14 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -14.775 -0.000 16.899) 22.447 0.442 ( -22.176 -0.000 1.120) 22.205 0.609 ( -27.901 -0.000 6.663) 28.685 2.409 ( 10.384 0.000 3.567) 10.979 2.663 ( 5.569 0.000 -3.781) 6.731 2.732 ( -3.829 -0.000 -12.387) 12.965 2.905 ( -1.979 -0.000 8.810) 9.030 3.063 ( 3.184 0.000 -4.302) 5.352 3.133 ( -0.111 -0.000 0.422) 0.436 3.733 ( 5.784 0.000 8.460) 10.249 3.840 ( -5.041 -0.000 -9.539) 10.789 4.281 ( 0.021 0.000 0.291) 0.291 4.536 ( -1.378 -0.000 -0.896) 1.644 4.674 ( 0.151 0.000 -0.098) 0.180 4.973 ( 0.263 0.000 -0.327) 0.420 5.002 ( -0.902 -0.000 0.169) 0.918 5.255 ( 1.052 0.000 5.886) 5.979 5.390 ( 1.546 0.000 -6.616) 6.795 5.703 ( -2.698 -0.000 10.958) 11.285 5.948 ( -0.782 -0.000 -8.807) 8.842 6.137 ( -0.713 -0.000 0.049) 0.714 6.217 ( 0.685 0.000 6.485) 6.521 6.390 ( 0.818 0.000 0.019) 0.818 6.453 ( 3.516 0.000 0.655) 3.576 6.852 ( 4.129 0.000 0.915) 4.229 6.873 ( -6.027 -0.000 -2.462) 6.510 7.118 ( 6.925 0.000 2.740) 7.447 7.461 ( -2.007 -0.000 2.797) 3.443 7.717 ( -0.899 -0.000 -9.719) 9.760 7.919 ( -4.335 -0.000 2.686) 5.099 ======================= Grid point 386 (161/324) ======================= q-point: (-0.07 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -11.414 -8.754 17.146) 22.381 0.628 ( -5.842 -19.778 14.566) 25.248 0.970 ( -11.863 -38.924 3.785) 40.867 2.514 ( 6.257 -4.739 0.555) 7.869 2.676 ( 1.140 -2.909 -11.782) 12.190 2.750 ( -5.322 -5.194 -12.545) 14.584 2.973 ( 1.535 -5.762 10.364) 11.957 3.044 ( 1.744 -1.092 6.161) 6.496 3.172 ( 0.416 -3.426 3.008) 4.578 3.770 ( -2.515 -1.349 -5.726) 6.398 3.795 ( 2.509 1.342 3.418) 4.447 4.454 ( 3.662 -5.792 -3.106) 7.523 4.544 ( -0.529 -3.992 -2.434) 4.705 4.674 ( -0.195 0.773 0.563) 0.976 4.980 ( -1.326 0.377 -3.112) 3.403 5.010 ( 0.858 -0.906 1.903) 2.276 5.212 ( -0.503 -0.160 1.431) 1.525 5.399 ( 0.537 -2.501 -7.799) 8.207 5.711 ( -1.751 1.250 12.048) 12.239 5.949 ( 3.373 -1.031 -1.298) 3.758 6.167 ( 0.377 1.759 -1.688) 2.467 6.365 ( 7.718 -7.336 4.595) 11.597 6.394 ( 0.053 0.402 3.076) 3.103 6.497 ( 3.058 -2.801 2.447) 4.816 6.807 ( -4.326 3.051 -3.852) 6.547 6.845 ( 1.489 1.986 0.244) 2.494 7.031 ( 5.452 8.659 5.467) 11.601 7.366 ( -9.565 4.440 0.826) 10.578 7.636 ( -1.709 3.721 -2.414) 4.754 7.792 ( -5.253 4.614 2.103) 7.301 ======================= Grid point 400 (162/324) ======================= q-point: (-0.07 -0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -11.317 -0.000 14.370) 18.292 0.394 ( -16.529 -0.000 16.861) 23.612 0.563 ( -0.968 -0.000 39.342) 39.354 2.481 ( 0.742 0.000 -2.699) 2.799 2.588 ( -5.176 -0.000 -20.631) 21.271 2.638 ( 0.783 0.000 -10.358) 10.388 2.949 ( -0.192 -0.000 10.814) 10.816 3.098 ( 1.270 0.000 7.546) 7.652 3.155 ( 1.931 0.000 5.822) 6.134 3.709 ( -6.744 -0.000 -12.702) 14.381 3.870 ( 9.059 0.000 9.681) 13.258 4.284 ( 0.065 0.000 0.589) 0.593 4.515 ( -0.973 -0.000 -1.917) 2.150 4.676 ( 0.318 0.000 0.331) 0.459 4.972 ( 0.311 0.000 -0.864) 0.918 4.992 ( -1.105 -0.000 -0.351) 1.159 5.210 ( -7.148 -0.000 -4.569) 8.483 5.373 ( 2.170 0.000 -9.040) 9.296 5.810 ( 2.658 0.000 5.039) 5.697 6.010 ( 13.078 0.000 13.293) 18.648 6.132 ( -0.385 -0.000 0.057) 0.389 6.345 ( 17.065 0.000 14.024) 22.088 6.397 ( 0.492 0.000 0.159) 0.517 6.503 ( 6.744 0.000 9.146) 11.364 6.799 ( -4.156 -0.000 -3.547) 5.463 6.878 ( 1.470 0.000 -0.477) 1.546 7.201 ( 4.049 0.000 2.013) 4.521 7.478 ( 5.884 0.000 1.858) 6.171 7.679 ( -0.637 -0.000 -5.250) 5.288 7.862 ( -8.515 -0.000 0.627) 8.538 ======================= Grid point 401 (163/324) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 5.725 0.000 14.508) 15.597 0.808 ( 1.233 0.000 19.940) 19.978 1.611 ( 13.018 0.000 35.133) 37.468 1.970 ( -9.863 -0.000 -20.340) 22.605 2.149 ( -5.866 -0.000 -11.785) 13.164 2.628 ( 1.895 0.000 -0.027) 1.896 3.139 ( -9.079 -0.000 -21.473) 23.314 3.165 ( 1.326 0.000 5.668) 5.821 3.259 ( 0.465 0.000 4.520) 4.544 3.475 ( 4.748 0.000 6.476) 8.030 4.065 ( 1.855 0.000 2.991) 3.519 4.308 ( 0.123 0.000 1.017) 1.025 4.444 ( -0.224 -0.000 -2.915) 2.923 4.698 ( 0.492 0.000 0.773) 0.917 4.945 ( -0.078 -0.000 -1.310) 1.313 4.958 ( -0.829 -0.000 -0.953) 1.263 5.055 ( -0.627 -0.000 -5.998) 6.031 5.285 ( 1.480 0.000 0.454) 1.548 5.847 ( 1.120 0.000 0.627) 1.283 6.131 ( -0.013 -0.000 0.068) 0.069 6.336 ( 2.521 0.000 6.702) 7.161 6.399 ( -6.642 -0.000 3.192) 7.369 6.406 ( 0.099 0.000 0.254) 0.273 6.626 ( -0.856 -0.000 -4.628) 4.707 6.826 ( 8.512 0.000 -2.043) 8.754 6.871 ( 0.144 0.000 -0.418) 0.442 7.192 ( -0.351 -0.000 -0.489) 0.602 7.521 ( 4.307 0.000 0.705) 4.364 7.662 ( -3.781 -0.000 0.132) 3.783 7.873 ( 1.593 0.000 1.826) 2.423 ======================= Grid point 402 (164/324) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.635 -7.870 16.784) 18.548 1.081 ( 7.835 -21.324 12.235) 25.803 1.725 ( 7.498 -1.146 17.700) 19.257 1.910 ( -7.132 -4.928 -18.156) 20.120 2.283 ( -2.427 -14.951 1.479) 15.219 2.719 ( 0.102 -8.528 -0.051) 8.529 3.018 ( -7.472 -1.659 -18.396) 19.925 3.216 ( 1.330 0.169 3.427) 3.680 3.369 ( 0.603 -9.207 3.831) 9.991 3.492 ( 3.187 0.988 3.239) 4.650 4.015 ( 1.295 3.716 2.097) 4.459 4.404 ( -0.547 -6.549 -0.958) 6.641 4.431 ( -0.213 0.342 -2.272) 2.307 4.682 ( -0.590 1.831 1.074) 2.203 4.944 ( 1.627 -0.347 0.490) 1.734 4.986 ( -2.096 -4.119 -1.729) 4.934 5.091 ( 1.184 -4.131 -6.588) 7.866 5.330 ( 1.201 -3.812 1.479) 4.261 5.862 ( -0.347 -1.243 0.666) 1.452 6.086 ( 0.511 4.584 0.196) 4.617 6.299 ( -2.955 3.472 2.134) 5.034 6.373 ( -1.741 2.326 7.996) 8.507 6.431 ( -1.783 -1.594 0.820) 2.529 6.602 ( -0.095 0.870 -5.719) 5.785 6.822 ( 5.436 3.180 -3.393) 7.154 6.860 ( -1.991 0.362 0.288) 2.044 7.206 ( 4.726 0.001 -0.624) 4.767 7.362 ( -0.876 13.786 6.004) 15.062 7.604 ( -5.497 3.311 -0.184) 6.420 7.851 ( 6.282 4.072 1.224) 7.586 ======================= Grid point 403 (165/324) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.778 -10.775 12.251) 16.334 1.504 ( 6.279 -14.855 17.103) 23.508 1.862 ( -2.926 -11.146 -11.615) 16.361 2.033 ( -0.322 -12.787 -9.638) 16.016 2.615 ( 2.062 -18.030 13.172) 22.424 2.895 ( -3.082 -10.609 -2.326) 11.290 3.099 ( -4.802 -14.025 -13.590) 20.111 3.213 ( 0.776 1.170 2.354) 2.741 3.429 ( 2.645 3.389 2.586) 5.017 3.631 ( 0.819 -12.313 2.078) 12.514 3.990 ( 1.321 -0.079 0.653) 1.475 4.427 ( 0.335 -0.679 -0.934) 1.202 4.491 ( -1.254 -3.622 -2.388) 4.516 4.653 ( -0.707 0.884 2.406) 2.659 4.986 ( 2.165 -2.422 2.607) 4.165 5.065 ( -2.540 -5.790 -3.113) 7.048 5.157 ( 2.820 -3.419 -6.597) 7.947 5.437 ( 0.464 -6.159 2.110) 6.527 5.883 ( -2.514 -0.311 1.798) 3.106 5.989 ( 0.845 4.549 -1.443) 4.846 6.210 ( -3.580 4.785 1.375) 6.132 6.334 ( -0.335 3.173 7.728) 8.360 6.423 ( -4.687 1.484 0.113) 4.918 6.579 ( 2.290 0.220 -4.754) 5.281 6.746 ( 2.486 5.691 -2.491) 6.691 6.854 ( -1.780 -0.664 1.048) 2.170 7.118 ( 2.984 9.112 1.455) 9.698 7.256 ( -1.609 0.220 2.695) 3.146 7.509 ( -2.419 3.547 -0.836) 4.374 7.789 ( 7.123 6.142 0.724) 9.434 ======================= Grid point 404 (166/324) ======================= q-point: ( 0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 1.088 -12.642 7.339) 14.658 1.823 ( 3.596 -13.209 14.036) 19.607 2.066 ( -1.493 -14.725 -9.948) 17.833 2.243 ( -0.263 -11.599 -9.717) 15.134 2.976 ( -2.603 -11.279 2.805) 11.911 3.126 ( -0.178 -15.467 5.326) 16.359 3.207 ( 0.562 -2.366 2.318) 3.359 3.311 ( -1.102 -8.105 -1.981) 8.417 3.436 ( -0.194 -8.567 -7.422) 11.336 3.856 ( 2.004 -9.139 4.068) 10.202 4.024 ( 0.783 -2.794 -1.853) 3.443 4.462 ( 0.084 -2.990 0.251) 3.001 4.539 ( 0.172 -2.647 0.373) 2.679 4.656 ( 0.100 -0.655 1.534) 1.671 5.049 ( 1.077 -2.294 2.798) 3.775 5.153 ( -0.070 -4.664 -6.605) 8.086 5.218 ( 1.265 -3.982 -1.691) 4.507 5.554 ( 0.284 -5.052 0.526) 5.087 5.815 ( -2.379 5.144 1.673) 5.910 5.965 ( 0.746 -0.183 -1.389) 1.587 6.097 ( -5.654 4.394 0.574) 7.184 6.299 ( 1.514 2.549 5.771) 6.488 6.351 ( -5.180 2.544 -1.148) 5.884 6.570 ( 3.480 2.418 -2.885) 5.127 6.649 ( -0.746 3.684 -0.492) 3.791 6.878 ( -0.504 -2.195 1.049) 2.484 7.006 ( 3.850 5.460 -0.682) 6.716 7.204 ( -9.861 2.474 1.938) 10.350 7.485 ( 5.435 -0.348 -1.221) 5.581 7.697 ( 6.294 6.892 0.670) 9.358 ======================= Grid point 405 (167/324) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.908 -12.296 3.311) 12.767 2.115 ( 1.300 -13.572 7.753) 15.685 2.338 ( 0.359 -15.475 -2.148) 15.627 2.435 ( 1.537 -11.306 -6.678) 13.220 3.001 ( -4.545 2.511 -2.897) 5.946 3.165 ( -0.283 1.549 -0.447) 1.637 3.477 ( -1.343 -11.750 0.855) 11.857 3.548 ( 2.605 -15.992 10.473) 19.293 3.654 ( -1.727 -14.952 -10.233) 18.200 3.991 ( 1.384 -2.415 5.622) 6.273 4.089 ( 0.472 -5.376 -5.603) 7.779 4.523 ( -0.414 -2.335 0.929) 2.547 4.603 ( 1.166 -3.495 2.481) 4.442 4.688 ( 2.020 -2.093 0.530) 2.956 5.098 ( 0.628 -2.044 2.879) 3.586 5.186 ( 2.590 -0.784 -7.515) 7.988 5.314 ( -2.839 -5.344 0.653) 6.087 5.616 ( 0.038 -1.798 -2.018) 2.703 5.723 ( -2.215 3.765 2.837) 5.209 5.918 ( 3.284 5.070 -1.861) 6.321 6.062 ( -6.810 -3.436 2.624) 8.066 6.269 ( -2.246 2.150 -0.255) 3.120 6.306 ( -0.242 -0.012 1.687) 1.705 6.502 ( 2.331 4.824 -1.872) 5.675 6.589 ( 0.173 3.587 0.308) 3.604 6.909 ( -0.554 5.602 -0.570) 5.659 6.931 ( 0.447 -2.593 0.635) 2.707 7.138 ( -8.643 -0.575 0.366) 8.669 7.535 ( 6.225 -1.651 -1.316) 6.573 7.604 ( 5.634 5.828 1.264) 8.203 ======================= Grid point 406 (168/324) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -0.582 -9.053 1.051) 9.132 2.382 ( 0.970 -12.454 3.633) 13.009 2.605 ( -1.081 -12.438 0.575) 12.499 2.654 ( 5.308 -10.720 -2.047) 12.136 2.913 ( -3.860 1.890 -3.260) 5.394 3.143 ( -0.639 0.273 -0.372) 0.788 3.697 ( -1.265 -11.346 0.532) 11.429 3.775 ( 3.405 -6.627 2.446) 7.842 3.875 ( -1.308 -8.215 -2.406) 8.659 3.979 ( -1.453 4.054 1.434) 4.539 4.230 ( -0.455 -10.604 -3.615) 11.213 4.530 ( -0.012 1.264 0.792) 1.491 4.672 ( 0.560 -1.527 1.105) 1.967 4.755 ( 3.799 -3.362 0.274) 5.081 5.155 ( 1.082 -2.667 2.764) 3.991 5.187 ( 2.302 -0.129 -4.376) 4.946 5.334 ( -5.748 1.903 -1.093) 6.153 5.645 ( -0.780 -3.096 -2.510) 4.061 5.702 ( -1.472 -2.353 4.907) 5.638 5.848 ( 4.098 3.509 -1.075) 5.501 6.122 ( -3.697 -3.217 2.691) 5.591 6.219 ( -2.200 1.006 -0.115) 2.422 6.328 ( -0.481 -1.631 -0.726) 1.849 6.397 ( 1.085 7.131 -0.729) 7.250 6.522 ( 3.167 3.710 0.379) 4.893 6.803 ( -4.608 3.647 -0.103) 5.877 6.976 ( 0.548 -1.693 0.248) 1.797 7.129 ( -4.980 -1.112 -0.790) 5.163 7.526 ( 0.941 2.819 -1.088) 3.164 7.611 ( 7.787 -1.436 1.543) 8.067 ======================= Grid point 407 (169/324) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -1.520 -4.220 0.283) 4.494 2.598 ( 2.540 -8.356 0.099) 8.734 2.719 ( -0.464 1.074 -3.668) 3.850 2.826 ( -0.654 -8.806 3.318) 9.433 3.005 ( 0.721 -11.627 0.628) 11.666 3.144 ( -0.196 -0.431 0.276) 0.548 3.780 ( -0.185 9.551 -3.103) 10.044 3.877 ( -0.284 -6.885 0.200) 6.894 3.935 ( 0.267 -3.716 -0.440) 3.751 3.945 ( 0.573 -0.373 2.526) 2.617 4.408 ( -1.000 -7.476 -1.600) 7.710 4.500 ( 0.273 1.387 0.368) 1.461 4.662 ( 0.848 2.526 0.916) 2.817 4.824 ( 1.287 -1.929 -3.393) 4.110 5.188 ( 1.007 1.140 -0.867) 1.751 5.217 ( 0.492 -2.558 0.531) 2.658 5.239 ( -3.001 2.599 0.731) 4.037 5.714 ( -0.894 -4.711 -0.791) 4.860 5.808 ( -1.279 -6.605 5.193) 8.498 5.824 ( 1.854 -0.610 -2.143) 2.898 6.100 ( -1.065 3.568 0.518) 3.759 6.198 ( -0.966 5.395 -0.431) 5.497 6.307 ( 0.944 -0.996 1.568) 2.083 6.342 ( -0.315 -0.077 -1.571) 1.605 6.489 ( 2.617 1.528 0.718) 3.114 6.731 ( -3.782 1.843 -0.179) 4.211 7.000 ( 0.579 -0.419 -0.206) 0.744 7.115 ( -2.474 0.484 -0.396) 2.552 7.484 ( 0.105 1.615 -1.107) 1.961 7.679 ( 4.015 -2.171 1.390) 4.771 ======================= Grid point 408 (170/324) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.158 0.795 0.409) 0.907 2.632 ( 0.600 3.000 -0.517) 3.102 2.756 ( -1.450 -5.006 -4.736) 7.043 2.964 ( -0.524 -4.938 0.151) 4.968 3.144 ( -1.149 0.077 0.981) 1.512 3.234 ( 2.912 -9.047 4.915) 10.700 3.520 ( -1.702 14.475 -3.164) 14.915 3.910 ( -0.259 2.848 -0.202) 2.867 3.962 ( -0.528 -0.823 1.641) 1.910 4.016 ( 3.056 -2.641 -0.323) 4.052 4.435 ( 0.995 2.045 0.833) 2.421 4.510 ( 0.451 1.025 0.449) 1.206 4.618 ( 1.377 2.103 1.456) 2.905 4.814 ( -3.362 0.593 -4.912) 5.982 5.146 ( -0.829 0.434 -0.886) 1.289 5.220 ( 1.160 0.547 0.796) 1.510 5.288 ( 0.642 -3.078 1.030) 3.308 5.776 ( -0.920 -1.945 -1.467) 2.604 5.867 ( 0.935 -3.958 -0.961) 4.179 5.939 ( -2.925 -3.542 1.481) 4.827 6.039 ( -0.546 0.946 0.011) 1.092 6.077 ( 1.708 3.576 1.392) 4.200 6.318 ( 0.862 1.993 -0.696) 2.281 6.363 ( -0.093 -2.058 0.410) 2.101 6.485 ( -0.088 0.080 0.954) 0.961 6.698 ( -0.436 0.406 -0.249) 0.646 6.992 ( 0.302 1.548 0.153) 1.585 7.095 ( 0.242 0.775 0.230) 0.844 7.458 ( 0.401 1.043 -0.774) 1.359 7.728 ( -0.739 -1.637 0.656) 1.912 ======================= Grid point 409 (171/324) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 2.406 6.216 1.138) 6.762 2.585 ( -2.688 1.441 1.491) 3.395 2.767 ( 0.200 3.105 -6.468) 7.178 2.990 ( -0.639 1.271 -3.407) 3.692 3.102 ( -3.410 7.188 0.526) 7.973 3.194 ( 0.369 7.854 -5.410) 9.544 3.464 ( 2.553 -5.907 9.593) 11.552 3.815 ( 0.262 7.895 2.680) 8.341 3.909 ( -0.848 6.123 0.414) 6.195 4.068 ( 2.885 -1.653 -1.164) 3.523 4.371 ( 1.018 6.711 -0.878) 6.844 4.465 ( 0.942 1.279 1.158) 1.965 4.606 ( 1.077 0.902 2.648) 2.997 4.761 ( -4.226 2.249 -1.317) 4.965 5.164 ( 1.485 -0.648 1.168) 1.997 5.222 ( 0.423 -0.875 -1.175) 1.525 5.323 ( 0.395 -0.480 -0.888) 1.084 5.765 ( -0.272 2.730 -4.014) 4.862 5.887 ( -3.155 -0.348 -3.671) 4.853 5.913 ( 2.674 3.129 2.201) 4.667 6.079 ( 1.674 -6.304 1.072) 6.610 6.159 ( -2.618 -5.089 2.368) 6.193 6.292 ( 1.071 0.314 -0.946) 1.463 6.371 ( -0.840 -0.071 -1.065) 1.358 6.482 ( -2.011 -0.214 1.019) 2.264 6.717 ( 2.477 -1.860 0.365) 3.119 6.950 ( 0.494 3.056 1.625) 3.496 7.087 ( 3.285 1.241 0.343) 3.528 7.448 ( 1.006 0.154 0.119) 1.025 7.733 ( -5.443 -0.478 -0.430) 5.481 ======================= Grid point 410 (172/324) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 1.887 11.630 2.781) 12.106 2.487 ( -4.750 13.204 0.121) 14.033 2.625 ( 2.440 5.795 -0.749) 6.332 2.897 ( -7.733 5.843 -11.113) 14.746 2.928 ( 2.579 4.019 -3.159) 5.726 3.129 ( 1.663 2.657 -1.957) 3.695 3.569 ( 1.167 3.291 7.491) 8.265 3.625 ( 0.970 10.535 8.276) 13.432 3.761 ( 1.159 8.409 2.160) 8.759 4.090 ( 1.554 0.870 -2.213) 2.840 4.209 ( 0.171 8.957 -3.829) 9.743 4.478 ( 0.106 -0.630 2.058) 2.155 4.606 ( 0.963 -0.078 2.687) 2.856 4.688 ( -3.397 3.146 1.537) 4.878 5.155 ( 1.887 2.907 2.245) 4.129 5.206 ( -1.566 2.722 -1.929) 3.686 5.359 ( 2.839 -3.361 -2.143) 4.893 5.666 ( 1.291 5.936 -3.196) 6.864 5.852 ( 0.395 1.367 -1.549) 2.103 5.926 ( -1.546 -2.014 -0.826) 2.670 6.194 ( -2.632 -1.422 4.033) 5.022 6.217 ( 0.806 -4.680 -4.043) 6.237 6.251 ( 1.114 2.818 -1.633) 3.442 6.422 ( -0.844 -4.055 0.010) 4.142 6.517 ( -2.488 -5.808 0.352) 6.328 6.780 ( 2.433 -2.996 1.089) 4.010 6.895 ( 0.904 3.786 3.175) 5.023 7.083 ( 7.008 1.612 0.672) 7.222 7.464 ( 1.125 -1.105 0.780) 1.759 7.696 ( -9.383 0.240 -1.167) 9.459 ======================= Grid point 411 (173/324) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.681 15.389 5.371) 16.313 2.106 ( -2.492 22.557 3.222) 22.922 2.550 ( -1.914 4.023 -6.482) 7.865 2.708 ( -6.886 8.410 -14.048) 17.762 2.887 ( 5.300 2.115 0.646) 5.743 3.062 ( 3.674 7.160 3.233) 8.672 3.309 ( -0.955 14.507 4.490) 15.216 3.499 ( 0.712 10.783 1.873) 10.968 3.711 ( 2.697 2.141 10.461) 11.014 3.967 ( -1.876 9.916 -7.495) 12.570 4.082 ( 1.369 5.175 -0.097) 5.354 4.471 ( -0.419 1.532 1.487) 2.176 4.628 ( -3.836 0.221 2.013) 4.338 4.652 ( 2.051 -1.607 0.660) 2.688 5.065 ( -1.253 6.293 -0.098) 6.417 5.159 ( 2.834 2.272 1.572) 3.958 5.395 ( 0.177 0.996 -4.852) 4.957 5.569 ( 2.952 4.530 -0.453) 5.426 5.846 ( -1.201 -0.641 2.912) 3.214 5.945 ( 0.753 -1.378 -3.740) 4.056 6.126 ( 1.918 6.105 -3.354) 7.225 6.238 ( -5.783 -4.226 1.905) 7.412 6.335 ( 2.518 -4.635 -1.560) 5.501 6.492 ( -0.662 -4.315 0.100) 4.366 6.641 ( -0.640 -6.548 -2.633) 7.086 6.834 ( 2.258 2.490 4.384) 5.525 6.845 ( -1.039 -0.914 2.864) 3.181 7.119 ( 10.035 -1.506 0.842) 10.182 7.495 ( 0.467 -1.099 0.089) 1.197 7.646 ( -11.381 -1.217 -0.338) 11.451 ======================= Grid point 412 (174/324) ======================= q-point: (-0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -2.420 15.615 9.382) 18.377 1.679 ( -2.838 22.292 8.043) 23.868 2.368 ( -5.512 18.939 -8.404) 21.440 2.424 ( -1.303 9.198 -11.338) 14.658 2.811 ( -0.714 10.035 0.252) 10.063 2.935 ( 9.345 6.532 6.275) 13.014 3.191 ( -0.582 0.481 2.389) 2.506 3.308 ( 0.967 8.627 1.317) 8.781 3.613 ( -0.064 12.505 -0.111) 12.506 3.779 ( -2.123 6.069 -0.831) 6.483 3.981 ( 1.942 5.673 1.658) 6.221 4.445 ( -0.387 0.917 -0.427) 1.083 4.622 ( -3.615 -1.292 1.459) 4.107 4.676 ( 0.013 0.844 -3.711) 3.806 4.955 ( 1.069 4.553 1.826) 5.020 5.143 ( 3.260 1.742 2.232) 4.318 5.307 ( -1.222 5.199 -6.549) 8.450 5.497 ( 1.823 5.170 0.978) 5.569 5.864 ( -2.148 -0.608 5.956) 6.361 5.974 ( -0.527 -1.073 -6.797) 6.901 6.058 ( 7.237 0.707 2.204) 7.599 6.286 ( -5.959 -3.341 1.371) 6.968 6.446 ( 2.178 -6.372 -1.540) 6.908 6.560 ( -1.064 -2.666 -0.943) 3.021 6.694 ( 0.468 0.056 -3.144) 3.179 6.817 ( 2.208 0.463 3.587) 4.238 6.890 ( 0.758 -3.101 4.354) 5.400 7.228 ( 6.598 -4.255 0.956) 7.909 7.493 ( -2.281 -0.272 -2.063) 3.088 7.662 ( -7.832 -4.829 2.198) 9.460 ======================= Grid point 413 (175/324) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -2.682 12.246 13.724) 18.588 1.307 ( -2.629 18.516 14.432) 23.623 1.859 ( 1.894 29.498 7.655) 30.533 2.244 ( -4.906 5.503 -18.050) 19.498 2.603 ( -4.757 9.920 -6.351) 12.703 2.836 ( 8.128 10.196 3.015) 13.383 3.181 ( -0.423 0.950 2.037) 2.287 3.278 ( 2.674 -1.523 6.519) 7.209 3.342 ( -1.450 11.582 -5.308) 12.823 3.629 ( -2.405 9.147 -1.765) 9.621 3.936 ( 2.236 0.848 3.634) 4.350 4.432 ( 0.085 0.096 -1.874) 1.878 4.582 ( -2.445 5.629 -5.273) 8.091 4.652 ( -1.551 -1.720 1.789) 2.927 4.922 ( 1.710 0.734 1.189) 2.208 5.112 ( 0.590 4.089 1.064) 4.266 5.192 ( 0.742 3.957 -7.739) 8.724 5.400 ( 0.654 5.760 1.651) 6.027 5.869 ( -0.146 1.316 4.090) 4.299 5.977 ( 1.654 -2.787 -1.198) 3.455 6.153 ( 4.737 -4.451 4.667) 8.002 6.322 ( -3.935 -2.675 2.564) 5.405 6.528 ( -2.222 0.330 -3.184) 3.897 6.602 ( 0.926 -4.823 -1.305) 5.082 6.686 ( 2.726 0.088 0.208) 2.735 6.834 ( 1.779 -0.496 1.942) 2.680 7.011 ( 3.997 -7.525 4.548) 9.659 7.287 ( -3.577 -0.849 0.724) 3.747 7.533 ( 2.566 -4.617 -1.487) 5.488 7.737 ( -5.164 -5.219 2.790) 7.854 ======================= Grid point 414 (176/324) ======================= q-point: (-0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -2.848 8.835 17.043) 19.407 0.970 ( 0.418 22.906 13.646) 26.666 1.517 ( 9.014 9.655 27.294) 30.322 2.086 ( -7.355 2.646 -20.798) 22.218 2.347 ( -5.817 11.635 -8.936) 15.782 2.693 ( 5.140 7.899 0.724) 9.452 3.138 ( -2.532 2.370 -2.309) 4.167 3.211 ( -1.820 -0.892 -3.745) 4.259 3.342 ( 1.036 3.288 5.390) 6.398 3.452 ( 1.013 4.637 -0.700) 4.798 3.982 ( 2.372 -3.465 3.974) 5.781 4.407 ( 0.990 5.693 -1.573) 5.988 4.455 ( -1.783 1.819 -2.781) 3.771 4.683 ( -0.546 -1.342 0.824) 1.667 4.931 ( 0.839 -0.799 -0.398) 1.225 5.013 ( -1.702 4.542 -1.269) 5.014 5.117 ( 0.798 3.317 -7.168) 7.939 5.313 ( 0.705 3.702 1.208) 3.957 5.850 ( 1.428 1.295 1.369) 2.364 6.076 ( 1.124 -5.099 1.283) 5.377 6.263 ( 3.683 -3.318 6.683) 8.321 6.366 ( -1.736 -2.486 3.169) 4.386 6.467 ( -3.949 2.763 -0.657) 4.864 6.639 ( -2.235 -0.811 -5.021) 5.556 6.756 ( 9.619 -2.583 1.281) 10.042 6.859 ( 1.267 -0.837 0.237) 1.537 7.189 ( 0.658 -3.396 1.077) 3.623 7.332 ( -0.465 -10.462 4.597) 11.437 7.631 ( 0.991 -3.865 -0.186) 3.995 7.816 ( -2.122 -4.341 2.567) 5.472 ======================= Grid point 416 (177/324) ======================= q-point: ( 0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 9.767 0.000 8.633) 13.035 0.953 ( 7.981 0.000 17.964) 19.657 1.768 ( -12.109 -0.000 -16.828) 20.732 1.911 ( 14.418 0.000 28.579) 32.010 2.053 ( -3.744 -0.000 -6.857) 7.813 2.618 ( -3.405 -0.000 -0.923) 3.528 2.945 ( -8.331 -0.000 -19.253) 20.978 3.210 ( 2.917 0.000 3.463) 4.528 3.288 ( 0.964 0.000 3.454) 3.586 3.536 ( 2.766 0.000 2.886) 3.998 4.083 ( -0.157 -0.000 1.237) 1.247 4.314 ( 0.107 0.000 0.794) 0.801 4.431 ( 0.249 0.000 -2.139) 2.154 4.704 ( 0.039 0.000 0.379) 0.381 4.930 ( -1.274 -0.000 -0.932) 1.579 4.958 ( 1.032 0.000 -0.482) 1.139 5.024 ( -0.067 -0.000 -4.721) 4.721 5.304 ( 2.085 0.000 0.342) 2.112 5.845 ( -1.773 -0.000 -0.595) 1.870 6.134 ( 0.393 0.000 0.063) 0.398 6.304 ( -8.270 -0.000 2.233) 8.566 6.406 ( -0.381 -0.000 0.153) 0.411 6.432 ( 1.951 0.000 9.930) 10.120 6.595 ( -0.088 -0.000 -5.837) 5.838 6.845 ( -5.110 -0.000 -0.735) 5.163 6.863 ( 3.690 0.000 -4.387) 5.732 7.233 ( 8.563 0.000 -0.589) 8.583 7.529 ( -4.331 -0.000 3.071) 5.309 7.607 ( -5.427 -0.000 -2.822) 6.116 7.930 ( 7.500 0.000 1.242) 7.602 ======================= Grid point 417 (178/324) ======================= q-point: ( 0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 4.886 -6.314 12.898) 15.170 1.229 ( 11.327 -19.816 8.491) 24.353 1.704 ( -10.543 -3.132 -10.653) 15.313 1.883 ( 6.119 0.964 1.522) 6.379 2.327 ( 2.548 -16.966 12.142) 21.018 2.702 ( -3.399 -9.978 0.818) 10.572 2.853 ( -7.006 -1.701 -16.108) 17.648 3.249 ( 2.017 0.693 2.202) 3.066 3.395 ( 1.244 -10.364 2.515) 10.737 3.524 ( 1.509 2.481 0.042) 2.904 4.030 ( 0.477 3.327 0.529) 3.402 4.388 ( -1.371 -4.800 -0.987) 5.089 4.429 ( 1.098 -0.586 -0.678) 1.417 4.683 ( -0.551 1.750 1.204) 2.195 4.958 ( -1.582 -3.569 -1.567) 4.207 4.965 ( 1.636 -1.069 1.091) 2.238 5.071 ( 1.232 -4.618 -5.645) 7.396 5.349 ( 1.502 -3.592 0.915) 3.999 5.843 ( -3.717 -1.364 -0.945) 4.071 6.090 ( 0.343 4.603 0.044) 4.616 6.260 ( -5.802 1.752 2.816) 6.683 6.379 ( -2.162 1.968 1.341) 3.216 6.456 ( -0.409 1.418 8.531) 8.657 6.579 ( 1.913 0.089 -5.626) 5.943 6.821 ( -4.130 -0.099 -1.250) 4.316 6.840 ( 1.913 2.303 -3.602) 4.684 7.268 ( 8.055 1.180 -1.311) 8.246 7.366 ( -4.093 12.577 4.884) 14.099 7.544 ( -5.264 2.338 -2.051) 6.114 7.929 ( 8.449 4.178 0.664) 9.449 ======================= Grid point 418 (179/324) ======================= q-point: ( 0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 3.516 -8.933 9.215) 13.307 1.665 ( 9.353 -14.789 15.836) 23.600 1.762 ( -4.527 -11.085 -11.525) 16.619 1.994 ( 1.113 -10.514 -6.959) 12.657 2.683 ( -2.684 -17.160 5.603) 18.250 2.860 ( -1.153 -9.850 2.764) 10.295 2.994 ( -4.188 -17.175 -8.079) 19.437 3.232 ( 0.830 1.510 1.366) 2.199 3.450 ( 1.057 4.162 -1.297) 4.486 3.651 ( 1.496 -13.225 1.245) 13.367 4.001 ( 0.970 0.136 -0.538) 1.118 4.419 ( -0.389 -1.404 -1.558) 2.133 4.486 ( 0.796 -3.352 0.874) 3.554 4.662 ( -0.238 0.613 2.551) 2.635 5.007 ( -0.847 -2.953 0.264) 3.083 5.040 ( 1.024 -5.016 -0.873) 5.193 5.150 ( 2.370 -4.064 -5.841) 7.500 5.448 ( 0.189 -5.803 0.908) 5.877 5.853 ( -4.726 -1.447 -0.036) 4.943 5.985 ( -0.505 5.362 -0.329) 5.396 6.186 ( -2.667 4.983 1.405) 5.824 6.336 ( -4.074 1.067 1.319) 4.413 6.407 ( -2.919 4.356 6.236) 8.148 6.590 ( 4.098 -0.339 -2.155) 4.643 6.749 ( 1.920 5.861 -4.216) 7.470 6.834 ( -3.069 -1.932 0.394) 3.648 7.138 ( 0.510 8.364 -0.019) 8.380 7.249 ( -3.218 4.485 2.411) 6.023 7.498 ( 2.248 0.322 -2.252) 3.198 7.864 ( 7.810 6.677 0.371) 10.283 ======================= Grid point 419 (180/324) ======================= q-point: ( 0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 3.077 -11.269 4.465) 12.506 1.919 ( 1.490 -11.147 6.259) 12.870 2.041 ( 3.658 -15.557 2.470) 16.171 2.202 ( 0.659 -12.244 -6.175) 13.729 2.907 ( -8.051 -9.229 -4.427) 13.022 3.168 ( -4.720 -4.835 -6.915) 9.668 3.190 ( 2.397 -17.855 7.900) 19.672 3.314 ( 1.096 -9.053 3.840) 9.894 3.414 ( 1.267 -4.654 -3.685) 6.070 3.890 ( 1.953 -10.269 1.310) 10.535 4.017 ( 0.126 -1.415 -2.365) 2.759 4.458 ( -0.121 -3.213 -0.824) 3.319 4.557 ( 1.681 -3.165 2.473) 4.355 4.671 ( 0.874 -0.849 2.085) 2.415 5.060 ( -0.623 -2.862 1.021) 3.102 5.135 ( 2.488 -4.160 -5.081) 7.022 5.216 ( 0.240 -3.837 -1.637) 4.178 5.552 ( -0.370 -4.668 -1.029) 4.794 5.811 ( -0.986 4.633 3.096) 5.659 5.945 ( -4.076 -2.477 -0.564) 4.803 6.058 ( -2.149 6.618 -0.806) 7.005 6.303 ( -4.452 1.286 0.972) 4.735 6.330 ( -1.125 3.225 5.137) 6.168 6.590 ( 3.406 2.760 -1.681) 4.695 6.641 ( -0.038 3.884 -1.196) 4.064 6.873 ( -1.194 -3.051 -0.138) 3.280 7.029 ( 2.354 5.691 -2.565) 6.672 7.126 ( -8.417 4.037 2.449) 9.651 7.529 ( 5.608 -1.383 -2.259) 6.202 7.765 ( 6.941 7.319 0.908) 10.128 ======================= Grid point 420 (181/324) ======================= q-point: ( 0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 1.716 -10.866 1.222) 11.068 2.169 ( 1.792 -12.605 5.622) 13.918 2.346 ( 0.520 -14.566 3.866) 15.079 2.434 ( 3.800 -12.919 -2.702) 13.735 2.928 ( -6.105 0.881 -4.503) 7.637 3.152 ( -1.250 1.000 -1.883) 2.472 3.470 ( -0.950 -11.049 1.049) 11.139 3.582 ( -2.276 -18.344 -7.531) 19.960 3.633 ( 3.188 -12.252 8.419) 15.204 4.017 ( -0.396 0.387 -0.032) 0.555 4.063 ( 0.531 -7.033 -3.807) 8.015 4.518 ( -0.539 -2.596 -0.423) 2.685 4.627 ( 1.207 -2.901 1.632) 3.541 4.718 ( 3.011 -2.648 1.053) 4.145 5.115 ( 0.047 -2.719 2.428) 3.646 5.179 ( 3.654 -1.197 -7.052) 8.032 5.289 ( -2.650 -3.587 0.706) 4.516 5.599 ( -1.061 -1.478 -2.679) 3.238 5.729 ( -1.327 4.083 5.292) 6.814 5.938 ( 2.691 4.177 -1.299) 5.136 6.014 ( -5.566 -5.428 2.288) 8.104 6.246 ( -2.806 2.507 1.535) 4.064 6.310 ( -1.034 0.114 1.202) 1.590 6.515 ( 2.134 5.127 -1.416) 5.731 6.593 ( 0.377 2.436 0.461) 2.508 6.878 ( -5.003 6.410 -0.665) 8.158 6.935 ( 0.734 -2.167 -1.054) 2.519 7.082 ( -3.436 -0.814 -0.410) 3.555 7.561 ( 2.769 0.316 -3.272) 4.298 7.685 ( 7.912 4.450 2.949) 9.545 ======================= Grid point 421 (182/324) ======================= q-point: ( 0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -0.682 -7.970 -0.239) 8.003 2.421 ( 2.336 -11.274 4.899) 12.512 2.602 ( -0.111 -11.854 1.140) 11.909 2.706 ( 5.696 -12.284 1.346) 13.607 2.852 ( -5.043 1.315 -2.869) 5.949 3.135 ( -0.545 -0.166 -0.632) 0.850 3.691 ( -0.626 -11.620 0.996) 11.679 3.788 ( 0.821 -7.413 -5.928) 9.527 3.874 ( 0.345 -6.762 3.384) 7.570 3.966 ( -1.721 3.122 -0.181) 3.570 4.202 ( -1.154 -9.695 -3.369) 10.328 4.530 ( -0.361 0.794 -0.415) 0.966 4.678 ( 0.157 -1.366 -0.243) 1.396 4.786 ( 3.070 -2.455 -1.417) 4.179 5.174 ( -0.130 -2.717 1.745) 3.232 5.199 ( 3.804 -0.704 -1.976) 4.344 5.287 ( -2.279 2.703 -0.789) 3.623 5.621 ( -2.263 -3.174 -1.252) 4.094 5.711 ( -2.325 -2.248 5.391) 6.287 5.885 ( 3.639 3.299 0.718) 4.964 6.104 ( -2.483 -3.727 2.376) 5.069 6.202 ( -1.639 0.577 0.655) 1.857 6.314 ( -1.183 -1.077 -1.459) 2.165 6.408 ( 1.462 6.907 0.264) 7.065 6.551 ( 2.678 2.842 0.111) 3.907 6.749 ( -6.224 3.235 -0.097) 7.015 6.979 ( 0.409 -1.847 -1.185) 2.232 7.088 ( -2.599 -1.216 -1.439) 3.210 7.522 ( 0.399 2.639 -2.531) 3.678 7.695 ( 7.139 0.317 3.025) 7.760 ======================= Grid point 422 (183/324) ======================= q-point: ( 0.50 0.07 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -1.483 -4.539 -0.356) 4.788 2.624 ( 1.617 -7.975 1.393) 8.256 2.703 ( 1.953 3.077 -4.001) 5.412 2.843 ( -0.112 -7.633 4.716) 8.973 3.015 ( -0.324 -13.410 3.135) 13.776 3.147 ( 0.469 -1.305 0.018) 1.387 3.738 ( -2.393 9.803 -7.220) 12.407 3.875 ( 0.204 -6.812 0.058) 6.815 3.929 ( -0.410 -3.000 -1.148) 3.239 3.983 ( 2.288 -1.549 4.109) 4.952 4.384 ( -1.769 -9.391 -2.040) 9.772 4.500 ( -0.307 1.356 -0.593) 1.511 4.673 ( 0.458 1.674 0.475) 1.799 4.804 ( -0.424 0.785 -4.638) 4.723 5.192 ( 1.655 4.066 -0.934) 4.488 5.216 ( -0.355 -1.510 0.284) 1.577 5.252 ( 2.237 -1.748 2.724) 3.935 5.691 ( -3.241 -5.133 0.098) 6.071 5.798 ( -2.480 -5.695 2.061) 6.544 5.859 ( 3.071 0.468 2.657) 4.088 6.086 ( -1.871 3.163 -0.399) 3.697 6.197 ( 0.385 4.104 1.194) 4.292 6.312 ( -0.414 -0.484 -2.288) 2.375 6.343 ( 1.370 -0.550 1.120) 1.853 6.510 ( 0.885 2.439 0.624) 2.668 6.699 ( -2.648 0.264 -0.158) 2.666 7.000 ( 0.096 -0.530 -1.004) 1.139 7.091 ( -1.842 -0.682 -0.871) 2.148 7.477 ( -0.067 1.475 -1.670) 2.229 7.726 ( 3.715 0.220 2.173) 4.310 ======================= Grid point 423 (184/324) ======================= q-point: (-0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.207 -0.634 0.228) 0.705 2.627 ( -0.803 3.474 -0.865) 3.669 2.740 ( 2.156 -3.205 -2.688) 4.706 2.964 ( 0.151 -3.317 0.484) 3.356 3.137 ( -1.583 -0.587 1.363) 2.170 3.281 ( 1.545 -7.909 4.432) 9.197 3.480 ( -2.138 11.781 -4.496) 12.789 3.904 ( -0.413 2.107 -0.338) 2.173 3.965 ( -0.503 -0.045 1.262) 1.359 4.046 ( 3.090 -2.401 -0.348) 3.928 4.441 ( -0.540 1.131 0.417) 1.320 4.515 ( 0.377 -0.268 0.105) 0.474 4.641 ( 1.212 1.965 2.292) 3.253 4.752 ( -3.506 1.041 -4.923) 6.133 5.152 ( 2.468 0.514 -0.272) 2.536 5.233 ( 0.972 -0.140 0.473) 1.090 5.304 ( 1.390 -1.469 1.219) 2.362 5.741 ( -4.203 -1.837 -1.552) 4.842 5.859 ( -0.603 -2.275 -1.966) 3.067 5.945 ( 1.037 -3.928 3.705) 5.498 6.027 ( -1.716 0.105 -0.487) 1.787 6.102 ( 1.848 3.717 1.233) 4.330 6.318 ( 0.033 0.323 -1.158) 1.202 6.365 ( 0.514 -0.198 0.023) 0.551 6.481 ( -1.678 0.690 0.873) 2.013 6.702 ( 1.261 -0.930 0.114) 1.571 6.993 ( -0.158 1.087 -0.050) 1.100 7.100 ( 0.440 -0.827 0.035) 0.938 7.457 ( 0.358 0.423 -0.791) 0.966 7.725 ( -0.691 1.216 0.859) 1.641 ======================= Grid point 424 (185/324) ======================= q-point: (-0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 1.886 5.359 1.009) 5.770 2.566 ( -2.777 2.512 1.254) 3.949 2.749 ( 2.492 2.537 -5.382) 6.450 2.966 ( -0.445 2.500 -4.052) 4.782 3.058 ( -4.836 11.570 -1.744) 12.661 3.181 ( 1.103 4.315 -2.905) 5.317 3.534 ( 1.851 -6.928 9.467) 11.877 3.825 ( -0.515 6.560 2.135) 6.918 3.910 ( 0.081 5.720 1.154) 5.836 4.087 ( 2.625 -0.974 -2.279) 3.610 4.379 ( 1.039 7.718 0.124) 7.788 4.475 ( 0.068 0.946 0.895) 1.304 4.630 ( 0.635 0.946 3.522) 3.702 4.716 ( -3.639 0.957 -1.239) 3.961 5.184 ( 0.979 -1.500 -0.556) 1.876 5.234 ( 2.862 1.315 1.568) 3.519 5.324 ( 1.371 -0.977 -1.896) 2.535 5.730 ( -3.123 0.904 -2.901) 4.357 5.834 ( -3.248 0.859 -4.270) 5.434 5.946 ( 2.683 3.621 -0.406) 4.525 6.091 ( -0.096 -6.604 0.303) 6.612 6.160 ( -0.422 -4.812 3.976) 6.257 6.300 ( 1.395 1.331 -0.699) 2.051 6.360 ( -0.283 -0.354 -1.099) 1.189 6.460 ( -3.252 0.147 0.454) 3.287 6.746 ( 2.588 -2.328 1.049) 3.635 6.961 ( 0.094 2.291 1.433) 2.704 7.124 ( 3.786 -0.542 0.516) 3.859 7.459 ( 1.145 -0.311 0.277) 1.219 7.678 ( -5.439 2.155 -0.654) 5.886 ======================= Grid point 425 (186/324) ======================= q-point: (-0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 0.949 11.789 2.563) 12.102 2.444 ( -3.920 12.106 -0.506) 12.735 2.640 ( 1.711 7.784 -1.432) 8.098 2.773 ( -5.877 7.783 -10.812) 14.561 2.940 ( 2.585 1.749 -1.905) 3.656 3.140 ( 1.711 1.997 -0.597) 2.697 3.606 ( 0.042 8.084 5.565) 9.814 3.673 ( 0.873 7.363 5.961) 9.514 3.798 ( 1.992 5.206 6.071) 8.242 4.083 ( 0.415 2.929 -4.685) 5.541 4.199 ( 1.201 9.232 -1.948) 9.511 4.488 ( -0.399 -0.584 2.249) 2.358 4.625 ( -0.382 0.584 3.231) 3.305 4.671 ( -1.471 1.910 1.440) 2.808 5.152 ( -1.924 3.824 -1.589) 4.566 5.219 ( 3.120 2.032 1.305) 3.945 5.375 ( 2.913 -2.374 -1.813) 4.172 5.658 ( 0.442 4.102 -3.040) 5.125 5.821 ( -4.039 -1.545 -2.220) 4.861 5.908 ( -0.327 0.041 -4.447) 4.459 6.179 ( -3.416 -1.517 2.985) 4.783 6.221 ( 2.661 0.311 -0.718) 2.773 6.267 ( 2.550 -0.159 -0.240) 2.566 6.416 ( -0.250 -4.055 -0.526) 4.096 6.491 ( -2.891 -6.257 0.069) 6.893 6.806 ( 1.411 -2.365 1.831) 3.307 6.918 ( 0.640 2.997 2.941) 4.247 7.159 ( 7.925 -0.263 0.649) 7.956 7.481 ( 1.394 -1.051 0.980) 2.002 7.597 ( -9.693 1.946 -1.619) 10.019 ======================= Grid point 426 (187/324) ======================= q-point: (-0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -0.653 15.362 5.426) 16.305 2.092 ( -3.667 20.970 3.014) 21.500 2.487 ( -3.555 7.806 -7.739) 11.553 2.590 ( -2.522 7.738 -13.540) 15.797 2.951 ( 5.381 0.484 3.047) 6.203 3.112 ( 3.126 2.974 2.884) 5.190 3.336 ( 0.289 16.874 7.201) 18.349 3.510 ( 0.249 11.346 0.412) 11.356 3.782 ( 1.808 3.574 7.809) 8.777 3.907 ( -2.605 10.133 -6.146) 12.134 4.095 ( 1.818 4.730 -1.117) 5.189 4.479 ( 0.127 1.974 2.131) 2.907 4.603 ( -3.571 0.895 2.194) 4.286 4.670 ( 1.388 -0.685 -0.217) 1.563 5.054 ( -0.642 4.936 0.133) 4.980 5.199 ( 3.432 1.959 0.864) 4.045 5.365 ( -1.147 3.222 -4.166) 5.390 5.593 ( 2.534 3.495 -0.448) 4.340 5.838 ( -3.469 -2.005 2.033) 4.494 5.911 ( -0.310 -2.354 -7.282) 7.660 6.156 ( 5.053 4.805 -0.487) 6.990 6.198 ( -5.647 -2.494 4.131) 7.428 6.349 ( 1.969 -4.841 -1.952) 5.579 6.485 ( -0.559 -3.911 -0.353) 3.967 6.619 ( -1.160 -6.562 -2.275) 7.042 6.855 ( 0.298 -1.986 2.791) 3.439 6.874 ( 1.293 2.883 3.925) 5.039 7.221 ( 10.222 -1.523 0.752) 10.362 7.484 ( -4.935 1.432 -1.098) 5.254 7.552 ( -5.697 -3.342 0.764) 6.649 ======================= Grid point 427 (188/324) ======================= q-point: (-0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -1.046 14.837 9.686) 17.750 1.695 ( -2.628 20.319 9.241) 22.476 2.257 ( -5.135 12.209 -12.896) 18.486 2.364 ( -0.180 12.130 -11.108) 16.449 2.839 ( 2.167 16.206 7.743) 18.091 3.051 ( 7.741 6.242 6.422) 11.837 3.191 ( -1.829 1.018 0.955) 2.301 3.320 ( 0.298 5.962 1.159) 6.081 3.574 ( -2.254 14.558 -9.015) 17.271 3.782 ( -0.475 6.314 5.505) 8.390 4.005 ( 1.849 4.655 0.450) 5.029 4.445 ( 0.363 1.700 0.321) 1.768 4.586 ( -3.722 -0.311 -0.795) 3.819 4.663 ( -0.325 1.558 -1.523) 2.203 4.981 ( 1.987 3.397 2.637) 4.737 5.182 ( 3.234 2.115 0.419) 3.887 5.255 ( -2.300 5.165 -6.593) 8.686 5.521 ( 1.603 5.511 1.703) 5.987 5.861 ( -3.388 -2.098 2.807) 4.874 5.949 ( 1.537 -1.499 -4.036) 4.571 6.133 ( 5.523 -0.372 1.584) 5.758 6.242 ( -6.020 -3.795 4.677) 8.516 6.447 ( 0.467 -5.206 -4.142) 6.669 6.546 ( -0.219 -2.771 -0.752) 2.879 6.679 ( -0.765 -1.388 -2.079) 2.614 6.851 ( 1.195 0.981 3.067) 3.435 6.925 ( 2.707 -4.455 2.829) 5.931 7.287 ( 3.512 0.056 1.283) 3.739 7.454 ( -3.533 -2.798 -1.146) 4.650 7.626 ( -1.528 -5.223 1.565) 5.662 ======================= Grid point 428 (189/324) ======================= q-point: (-0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -1.147 11.934 13.424) 17.998 1.379 ( 1.539 16.670 16.210) 23.303 1.904 ( 1.992 19.859 -1.143) 19.991 2.113 ( -3.896 9.261 -14.614) 17.734 2.563 ( -1.472 14.360 3.810) 14.930 2.902 ( 2.954 11.397 0.761) 11.798 3.185 ( -0.502 -0.625 -0.737) 1.089 3.230 ( -4.669 10.446 -9.595) 14.933 3.376 ( 3.917 -1.069 5.315) 6.689 3.618 ( -0.516 11.063 1.818) 11.224 3.969 ( 1.728 0.380 2.016) 2.683 4.427 ( 0.507 0.266 -1.197) 1.327 4.530 ( -2.712 4.203 -4.548) 6.760 4.650 ( -1.120 -1.106 2.112) 2.633 4.951 ( 2.383 1.829 2.164) 3.703 5.103 ( -2.285 5.999 -1.437) 6.578 5.167 ( 2.533 2.751 -7.621) 8.489 5.418 ( 0.796 6.162 2.529) 6.708 5.885 ( -0.945 0.694 3.437) 3.631 5.985 ( 1.629 -4.291 -1.753) 4.913 6.213 ( 2.266 -4.321 2.842) 5.646 6.305 ( -3.673 -3.739 6.958) 8.711 6.478 ( -4.837 0.153 -2.456) 5.427 6.589 ( 1.316 -2.009 -5.332) 5.848 6.724 ( 3.642 -4.067 -0.025) 5.459 6.855 ( 0.197 -0.164 1.761) 1.779 7.071 ( 4.230 -8.640 2.968) 10.068 7.262 ( -2.723 1.342 2.040) 3.658 7.536 ( -1.653 -5.480 -0.142) 5.726 7.733 ( 2.524 -5.403 1.384) 6.122 ======================= Grid point 431 (190/324) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 11.287 0.000 0.819) 11.316 1.132 ( 12.220 0.000 13.248) 18.023 1.575 ( -12.596 -0.000 -11.035) 16.746 2.014 ( -0.761 -0.000 0.484) 0.902 2.148 ( 10.622 0.000 12.046) 16.060 2.557 ( -7.629 -0.000 -1.780) 7.834 2.813 ( -4.037 -0.000 -4.863) 6.320 3.253 ( 3.474 0.000 1.073) 3.636 3.309 ( 0.748 0.000 1.207) 1.420 3.555 ( 0.556 0.000 -1.546) 1.642 4.077 ( -1.429 -0.000 -0.321) 1.464 4.318 ( 0.059 0.000 0.402) 0.406 4.428 ( 0.605 0.000 -0.935) 1.113 4.702 ( -0.486 -0.000 -0.179) 0.517 4.916 ( -0.941 -0.000 -0.210) 0.964 4.969 ( 1.456 0.000 0.051) 1.456 5.004 ( 0.156 0.000 -3.229) 3.232 5.328 ( 2.832 0.000 -0.139) 2.836 5.804 ( -5.419 -0.000 -1.686) 5.675 6.139 ( 0.763 0.000 0.050) 0.765 6.250 ( -6.042 -0.000 3.151) 6.814 6.401 ( -0.826 -0.000 0.019) 0.826 6.487 ( -2.895 -0.000 10.152) 10.557 6.572 ( 2.809 0.000 -6.208) 6.814 6.785 ( -5.809 -0.000 0.085) 5.810 6.866 ( 2.091 0.000 -4.683) 5.128 7.318 ( 8.620 0.000 -1.214) 8.705 7.487 ( -7.560 -0.000 3.889) 8.502 7.536 ( -4.106 -0.000 -5.674) 7.004 8.013 ( 8.409 0.000 0.610) 8.431 ======================= Grid point 432 (191/324) ======================= q-point: ( 0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 7.712 -5.836 4.963) 10.871 1.374 ( 13.018 -17.485 1.446) 21.847 1.558 ( -10.236 -6.660 -3.933) 12.830 1.941 ( 4.729 3.091 2.000) 5.993 2.378 ( -2.128 -13.971 0.621) 14.146 2.650 ( -6.928 -13.026 -6.888) 16.283 2.790 ( 1.681 -0.478 10.847) 10.987 3.271 ( 1.361 1.561 -0.157) 2.077 3.416 ( 1.455 -11.034 0.779) 11.157 3.520 ( -0.276 2.837 -3.928) 4.853 4.030 ( -0.154 2.506 -0.952) 2.685 4.372 ( -0.974 -3.578 -0.677) 3.769 4.439 ( 0.967 -1.585 0.540) 1.933 4.684 ( -0.528 1.180 1.088) 1.690 4.938 ( -1.023 -2.573 -0.842) 2.894 4.989 ( 1.825 -1.946 1.352) 2.990 5.056 ( 1.047 -4.796 -4.262) 6.501 5.369 ( 2.188 -2.924 0.006) 3.652 5.786 ( -6.363 -1.602 -1.329) 6.694 6.093 ( 0.215 4.931 -0.084) 4.937 6.228 ( -4.155 0.726 2.760) 5.041 6.359 ( -2.253 2.993 -0.293) 3.757 6.468 ( -5.518 2.191 6.817) 9.040 6.595 ( 5.283 -1.337 -2.280) 5.907 6.777 ( -3.991 -1.479 1.055) 4.385 6.834 ( 1.595 2.962 -5.225) 6.214 7.306 ( 0.467 5.913 -5.089) 7.815 7.347 ( -4.414 8.237 5.583) 10.886 7.505 ( 1.753 0.246 -3.183) 3.642 8.009 ( 7.900 4.363 -0.007) 9.025 ======================= Grid point 433 (192/324) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 5.932 -7.396 3.120) 9.981 1.669 ( -4.158 -12.955 -7.256) 15.420 1.834 ( 10.444 -17.470 11.617) 23.436 1.986 ( 1.746 -6.200 -1.255) 6.562 2.620 ( -7.504 -14.269 -3.806) 16.565 2.826 ( -6.208 -13.781 -7.695) 16.961 3.015 ( 4.595 -14.115 14.353) 20.648 3.238 ( -0.355 0.957 -0.098) 1.025 3.438 ( -0.080 3.783 -4.999) 6.270 3.668 ( 1.165 -13.446 -0.161) 13.497 4.003 ( 0.639 0.234 -1.710) 1.840 4.411 ( 0.234 -1.865 -0.848) 2.062 4.505 ( 0.995 -3.808 2.523) 4.675 4.673 ( -0.184 0.203 2.096) 2.113 4.990 ( -0.659 -3.649 -1.185) 3.893 5.060 ( 2.158 -3.860 0.619) 4.466 5.140 ( 1.251 -4.317 -4.687) 6.494 5.451 ( 0.378 -4.967 -0.635) 5.021 5.801 ( -5.563 -3.150 0.195) 6.396 5.979 ( -0.920 6.285 0.742) 6.395 6.170 ( -1.541 5.119 -0.717) 5.393 6.298 ( -4.359 1.104 0.981) 4.602 6.403 ( -4.952 3.528 6.749) 9.084 6.634 ( 5.672 0.295 0.237) 5.684 6.740 ( 1.272 5.940 -5.063) 7.908 6.804 ( -3.198 -2.855 0.138) 4.289 7.128 ( -1.082 6.620 -3.068) 7.376 7.218 ( -5.403 7.004 2.699) 9.248 7.529 ( 6.569 -0.873 -2.704) 7.157 7.935 ( 6.848 6.836 -0.107) 9.677 ======================= Grid point 434 (193/324) ======================= q-point: ( 0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 4.070 -9.983 -0.332) 10.786 1.913 ( -1.435 -15.226 -1.931) 15.415 2.133 ( 2.011 -10.269 7.398) 12.815 2.217 ( 7.031 -13.327 5.673) 16.101 2.809 ( -6.957 -9.351 -4.183) 12.383 3.062 ( -6.537 -12.225 -10.714) 17.521 3.233 ( 0.148 -9.153 2.875) 9.595 3.353 ( 1.758 -4.640 2.775) 5.685 3.424 ( 1.973 -10.552 3.274) 11.223 3.898 ( 0.182 -10.334 -2.782) 10.704 4.007 ( 0.304 -0.709 -1.664) 1.834 4.457 ( 0.726 -2.921 -0.533) 3.057 4.587 ( 1.414 -3.058 2.862) 4.421 4.689 ( 0.811 -1.620 1.513) 2.360 5.060 ( 0.126 -3.696 0.909) 3.808 5.134 ( 3.105 -3.004 -6.814) 8.068 5.209 ( -0.967 -3.977 0.580) 4.134 5.536 ( -0.887 -4.008 -2.714) 4.921 5.831 ( 1.012 2.945 4.927) 5.829 5.893 ( -6.243 -2.306 0.952) 6.723 6.039 ( -0.506 6.310 -2.907) 6.966 6.275 ( -3.293 0.596 2.029) 3.913 6.334 ( -3.640 3.063 5.780) 7.486 6.611 ( 2.186 4.606 -2.660) 5.750 6.643 ( 1.588 3.017 0.716) 3.483 6.853 ( -2.075 -3.488 -1.707) 4.403 7.018 ( -1.310 6.855 -3.063) 7.621 7.079 ( -3.596 2.999 1.389) 4.884 7.568 ( 5.456 -0.489 -3.048) 6.268 7.835 ( 6.275 6.755 1.214) 9.300 ======================= Grid point 435 (194/324) ======================= q-point: ( 0.43 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 1.027 -9.605 -1.938) 9.852 2.200 ( 0.978 -14.920 2.204) 15.114 2.369 ( -1.230 -12.925 4.307) 13.679 2.499 ( 7.468 -11.459 7.979) 15.835 2.853 ( -3.904 -0.345 -4.726) 6.140 3.121 ( -2.517 -1.225 -3.339) 4.357 3.471 ( -0.196 -10.878 1.448) 10.976 3.517 ( -2.362 -17.000 -8.427) 19.121 3.708 ( 2.576 -12.307 9.071) 15.504 3.975 ( -2.682 -0.433 -7.511) 7.988 4.071 ( 1.448 -5.152 0.814) 5.413 4.512 ( -0.058 -2.255 -0.684) 2.357 4.638 ( 0.182 -1.973 -0.154) 1.988 4.748 ( 2.261 -2.894 -0.010) 3.673 5.120 ( -1.159 -2.664 1.102) 3.107 5.185 ( 4.859 -2.525 -5.600) 7.833 5.278 ( -0.703 -2.804 1.523) 3.268 5.568 ( -2.285 -1.405 -3.211) 4.184 5.741 ( -2.640 4.758 5.532) 7.760 5.955 ( 1.816 2.508 -0.631) 3.160 5.993 ( -1.472 -6.844 3.741) 7.937 6.233 ( -2.190 2.862 2.781) 4.552 6.298 ( -2.667 0.335 1.068) 2.893 6.529 ( 1.945 4.803 -0.723) 5.232 6.600 ( 0.390 2.081 0.588) 2.197 6.818 ( -6.164 6.575 -0.558) 9.030 6.933 ( 0.555 -1.936 -2.299) 3.057 7.058 ( -0.831 -0.445 -2.002) 2.212 7.564 ( 1.904 2.016 -4.062) 4.918 7.773 ( 6.938 3.384 3.527) 8.487 ======================= Grid point 436 (195/324) ======================= q-point: ( 0.50 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -1.500 -7.465 -2.059) 7.888 2.468 ( 1.963 -11.085 4.720) 12.207 2.619 ( 1.315 -12.058 2.762) 12.440 2.766 ( 1.518 -12.039 4.080) 12.802 2.809 ( 1.164 1.476 -0.992) 2.126 3.124 ( -1.094 -1.023 -0.860) 1.727 3.696 ( 0.169 -11.564 1.471) 11.659 3.747 ( -1.467 -8.696 -7.382) 11.501 3.869 ( -2.172 -0.494 -4.907) 5.389 3.967 ( 0.510 -3.277 4.425) 5.530 4.181 ( -0.125 -7.851 -1.761) 8.047 4.520 ( -0.739 0.815 -1.269) 1.680 4.671 ( -0.474 -1.451 -1.988) 2.506 4.794 ( 0.776 -1.276 -2.669) 3.058 5.170 ( -1.062 -2.911 0.046) 3.099 5.236 ( 4.219 -1.422 0.486) 4.478 5.286 ( 2.562 2.843 -0.528) 3.864 5.587 ( -4.103 -3.588 -0.211) 5.455 5.712 ( -2.857 -2.097 4.774) 5.946 5.925 ( 3.201 2.732 2.434) 4.861 6.103 ( -0.733 -2.026 3.153) 3.819 6.194 ( -1.223 -0.645 1.457) 2.009 6.292 ( -1.598 -0.886 -1.980) 2.694 6.427 ( 1.687 6.670 0.993) 6.952 6.574 ( 2.089 2.482 -0.256) 3.254 6.689 ( -6.072 2.192 -0.036) 6.456 6.971 ( 0.012 -2.003 -2.353) 3.090 7.061 ( -1.246 -0.886 -2.207) 2.685 7.509 ( 0.010 2.556 -3.223) 4.114 7.774 ( 5.723 1.495 3.653) 6.953 ======================= Grid point 437 (196/324) ======================= q-point: ( 0.57 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -1.582 -5.302 -1.135) 5.648 2.633 ( -0.468 -4.086 0.352) 4.128 2.727 ( 5.503 1.180 -0.959) 5.709 2.871 ( 0.459 -7.737 5.441) 9.469 3.033 ( -0.321 -11.822 4.960) 12.825 3.152 ( 0.544 -3.241 0.058) 3.287 3.667 ( -3.577 9.484 -8.887) 13.480 3.878 ( 0.278 -5.910 -0.353) 5.927 3.917 ( -0.746 -4.765 -1.240) 4.980 4.018 ( 1.560 -0.943 1.977) 2.689 4.361 ( -0.867 -9.951 -1.442) 10.092 4.486 ( -1.507 1.106 -1.688) 2.519 4.668 ( -0.983 0.498 -2.216) 2.475 4.784 ( 0.151 2.158 -1.447) 2.603 5.201 ( -0.187 -0.114 -1.096) 1.118 5.228 ( 3.934 2.703 0.003) 4.773 5.292 ( 2.826 -1.810 2.716) 4.318 5.656 ( -4.567 -4.784 0.886) 6.673 5.788 ( -2.057 -4.818 2.722) 5.903 5.907 ( 3.521 0.392 3.913) 5.279 6.062 ( -2.401 3.610 -0.913) 4.430 6.215 ( 1.252 3.510 2.253) 4.355 6.286 ( -1.580 -0.706 -3.535) 3.936 6.367 ( 2.023 -0.373 1.277) 2.421 6.511 ( -1.090 3.295 0.247) 3.479 6.682 ( -0.783 -1.664 -0.061) 1.840 6.991 ( -0.379 -0.747 -1.611) 1.816 7.071 ( -1.170 -1.450 -1.222) 2.228 7.466 ( -0.259 1.052 -1.981) 2.258 7.770 ( 2.934 2.250 2.616) 4.530 ======================= Grid point 438 (197/324) ======================= q-point: (-0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 0.018 -1.964 0.008) 1.964 2.613 ( -0.773 2.972 -0.884) 3.196 2.764 ( 4.335 -0.655 -0.599) 4.425 2.973 ( 1.040 -1.353 0.735) 1.858 3.126 ( -2.098 -0.499 1.120) 2.429 3.300 ( -1.158 -1.287 0.717) 1.874 3.447 ( -0.948 2.958 -1.148) 3.312 3.900 ( -0.303 1.901 0.059) 1.926 3.967 ( -0.110 0.062 0.712) 0.723 4.063 ( 1.556 -2.350 -2.260) 3.613 4.430 ( -1.611 0.293 -0.441) 1.696 4.516 ( -0.182 -2.098 -0.430) 2.149 4.652 ( -0.817 -0.184 -0.913) 1.239 4.719 ( 0.231 3.660 0.980) 3.796 5.178 ( 2.254 0.986 -0.035) 2.460 5.249 ( 2.655 -1.737 0.153) 3.176 5.322 ( 1.408 0.402 0.123) 1.469 5.689 ( -5.035 -1.298 -0.521) 5.225 5.847 ( -0.715 -0.260 0.034) 0.761 5.981 ( 1.792 -2.787 2.441) 4.116 6.008 ( -1.091 -2.126 0.191) 2.397 6.119 ( 0.970 4.117 -0.260) 4.237 6.306 ( -0.892 -1.569 -1.410) 2.291 6.375 ( 1.342 1.504 0.262) 2.033 6.463 ( -2.685 1.195 0.372) 2.963 6.720 ( 1.907 -1.988 0.483) 2.797 6.988 ( -0.536 0.543 -0.302) 0.821 7.103 ( 0.300 -2.354 -0.164) 2.378 7.457 ( 0.340 -0.308 -0.760) 0.888 7.724 ( -0.471 3.870 1.068) 4.042 ======================= Grid point 439 (198/324) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 0.912 4.771 0.803) 4.923 2.549 ( -1.549 3.481 0.800) 3.893 2.755 ( 3.511 3.174 -3.640) 5.970 2.938 ( -1.242 7.740 -4.430) 9.004 3.001 ( -4.033 8.695 -2.519) 9.910 3.179 ( 0.741 2.398 -1.498) 2.923 3.597 ( 1.416 -7.053 9.104) 11.603 3.832 ( -0.339 5.609 2.161) 6.020 3.920 ( 0.543 4.781 1.147) 4.947 4.088 ( 0.897 -0.587 -4.466) 4.593 4.390 ( 0.561 6.651 0.641) 6.705 4.480 ( 0.153 1.599 1.033) 1.909 4.658 ( 1.061 0.755 3.960) 4.169 4.682 ( -2.307 0.418 -0.156) 2.349 5.179 ( -0.480 0.409 -0.964) 1.152 5.273 ( 2.487 2.307 -0.391) 3.414 5.337 ( 3.530 -3.140 -0.436) 4.745 5.681 ( -4.195 -0.474 -1.739) 4.566 5.787 ( -2.168 2.716 -3.357) 4.832 5.953 ( 0.731 5.009 -3.363) 6.077 6.089 ( -0.877 -6.214 1.509) 6.454 6.186 ( 1.408 -5.774 3.440) 6.868 6.309 ( 0.719 0.607 -0.493) 1.063 6.359 ( 1.218 0.222 -0.594) 1.373 6.427 ( -3.685 0.329 -0.104) 3.701 6.774 ( 1.962 -2.355 1.344) 3.347 6.967 ( -0.210 1.527 1.258) 1.989 7.158 ( 2.598 -2.678 0.343) 3.747 7.472 ( 1.200 -0.892 0.266) 1.519 7.628 ( -4.016 5.074 -0.584) 6.497 ======================= Grid point 440 (199/324) ======================= q-point: (-0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.097 11.650 2.275) 11.871 2.409 ( -3.115 12.701 -0.439) 13.085 2.638 ( -1.082 10.973 -1.247) 11.096 2.683 ( -1.315 7.443 -9.557) 12.185 2.955 ( 2.103 -0.758 -1.372) 2.623 3.152 ( 1.214 1.171 -0.153) 1.693 3.635 ( 0.213 8.600 5.789) 10.369 3.702 ( 0.672 8.216 2.353) 8.573 3.852 ( 1.650 2.190 7.364) 7.858 4.050 ( -1.363 5.000 -5.718) 7.717 4.211 ( 2.587 9.389 -0.760) 9.768 4.495 ( -0.525 -0.996 2.555) 2.792 4.633 ( -1.078 2.455 3.362) 4.300 4.676 ( 0.712 0.259 1.268) 1.477 5.128 ( -1.303 3.628 -1.143) 4.021 5.241 ( 1.488 1.341 -2.295) 3.046 5.400 ( 2.571 0.180 1.164) 2.828 5.648 ( 0.801 1.831 -2.790) 3.432 5.765 ( -4.887 -2.606 -1.877) 5.848 5.873 ( -0.659 1.257 -6.572) 6.723 6.166 ( -3.415 -0.912 4.088) 5.405 6.248 ( 2.625 -0.535 -0.215) 2.688 6.292 ( 2.657 1.672 0.352) 3.159 6.410 ( -0.092 -4.554 -1.170) 4.703 6.468 ( -1.822 -6.736 0.142) 6.980 6.826 ( 0.885 -1.998 1.818) 2.843 6.937 ( 0.343 2.221 2.703) 3.516 7.230 ( 5.350 -2.755 0.670) 6.055 7.495 ( -1.913 1.088 0.108) 2.204 7.509 ( -3.550 2.222 -1.055) 4.319 ======================= Grid point 441 (200/324) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -0.360 14.631 5.191) 15.529 2.074 ( -3.433 19.148 4.173) 19.895 2.413 ( -2.799 10.972 -7.928) 13.822 2.517 ( -0.054 8.371 -11.150) 13.943 3.010 ( 3.380 -1.881 2.635) 4.680 3.148 ( 1.828 0.271 1.713) 2.520 3.389 ( 1.678 17.581 9.280) 19.951 3.508 ( -0.659 12.085 -0.352) 12.108 3.792 ( -1.275 11.023 -6.883) 13.058 3.891 ( 0.088 4.643 6.839) 8.267 4.104 ( 1.939 4.740 -2.424) 5.666 4.494 ( 0.443 1.990 2.707) 3.389 4.587 ( -2.167 2.022 2.429) 3.832 4.676 ( 0.607 0.526 -1.062) 1.331 5.057 ( 0.445 3.242 1.392) 3.556 5.221 ( 2.253 1.008 -3.681) 4.432 5.339 ( -1.345 5.667 -0.641) 5.859 5.611 ( 1.874 2.847 -0.778) 3.496 5.796 ( -5.231 -2.882 -1.094) 6.071 5.890 ( 2.060 -3.912 -4.180) 6.084 6.152 ( -5.618 0.104 3.122) 6.428 6.219 ( 4.369 2.526 2.012) 5.433 6.347 ( -0.426 -4.519 -2.272) 5.076 6.482 ( 0.651 -3.654 -0.716) 3.780 6.599 ( -0.986 -6.053 -1.232) 6.255 6.876 ( 1.547 -2.661 1.935) 3.636 6.901 ( 0.751 2.555 3.063) 4.059 7.301 ( 1.922 -1.387 1.039) 2.588 7.408 ( -3.315 1.034 -1.437) 3.758 7.547 ( 1.236 -3.107 0.722) 3.421 ======================= Grid point 442 (201/324) ======================= q-point: (-0.07 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -0.169 13.799 8.958) 16.453 1.736 ( 0.221 17.154 11.924) 20.893 2.149 ( -3.440 12.561 -12.596) 18.118 2.302 ( -0.373 11.418 -11.548) 16.244 2.920 ( 3.488 17.265 10.856) 20.690 3.133 ( 1.029 11.456 3.681) 12.077 3.172 ( 0.003 -0.653 0.972) 1.170 3.325 ( -0.390 3.921 0.296) 3.951 3.497 ( -2.298 13.805 -10.679) 17.604 3.815 ( 1.018 7.814 5.799) 9.784 4.020 ( 1.448 3.792 -0.779) 4.133 4.454 ( 0.658 2.430 0.928) 2.683 4.552 ( -2.167 1.403 -1.175) 2.837 4.654 ( -0.545 1.049 0.128) 1.189 5.017 ( 2.116 2.661 3.102) 4.602 5.197 ( 0.285 2.798 -8.666) 9.111 5.210 ( 0.189 5.287 0.872) 5.362 5.542 ( 0.976 5.350 1.486) 5.638 5.836 ( -3.301 -4.138 0.979) 5.384 5.955 ( 2.306 -1.242 -1.579) 3.058 6.146 ( -3.806 -2.565 0.077) 4.591 6.249 ( 1.141 -2.616 6.917) 7.483 6.408 ( -3.855 -3.462 -3.435) 6.217 6.553 ( 2.929 -2.887 -2.377) 4.750 6.661 ( -1.270 -2.726 -0.597) 3.066 6.871 ( 0.304 1.474 2.042) 2.537 6.967 ( 3.855 -5.224 1.074) 6.581 7.280 ( -6.599 0.798 1.490) 6.812 7.445 ( 3.075 -3.065 -0.564) 4.378 7.644 ( 3.720 -5.728 0.798) 6.876 ======================= Grid point 446 (202/324) ======================= q-point: ( 0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 11.698 0.000 -6.289) 13.281 1.300 ( 13.416 0.000 -2.374) 13.624 1.439 ( -9.624 -0.000 6.276) 11.490 2.044 ( 2.061 0.000 8.128) 8.385 2.194 ( 0.435 0.000 -13.085) 13.092 2.460 ( -10.272 -0.000 -2.483) 10.568 2.857 ( 4.342 0.000 19.366) 19.846 3.283 ( 2.948 0.000 -1.360) 3.247 3.312 ( -0.005 -0.000 -1.503) 1.503 3.532 ( -1.217 -0.000 -5.958) 6.081 4.054 ( -2.030 -0.000 -1.901) 2.781 4.318 ( -0.073 -0.000 -0.119) 0.139 4.432 ( 0.551 0.000 0.244) 0.602 4.694 ( -0.724 -0.000 -0.524) 0.894 4.910 ( -0.458 -0.000 0.557) 0.721 4.985 ( 1.501 0.000 0.496) 1.581 4.995 ( 0.423 0.000 -1.219) 1.291 5.358 ( 4.107 0.000 -0.513) 4.139 5.737 ( -6.610 -0.000 -1.006) 6.686 6.148 ( 1.032 0.000 0.018) 1.032 6.211 ( -5.296 -0.000 1.330) 5.460 6.391 ( -1.159 -0.000 -0.112) 1.165 6.475 ( -6.609 -0.000 5.193) 8.405 6.581 ( 2.047 0.000 -2.450) 3.192 6.758 ( -1.105 -0.000 3.463) 3.635 6.856 ( 1.421 0.000 -5.142) 5.335 7.338 ( -3.127 -0.000 -5.383) 6.225 7.430 ( -7.207 -0.000 2.876) 7.760 7.515 ( 6.032 0.000 -3.384) 6.917 8.089 ( 7.101 0.000 -0.321) 7.108 ======================= Grid point 447 (203/324) ======================= q-point: ( 0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 9.097 -6.209 -4.549) 11.916 1.413 ( 0.279 -10.037 -9.448) 13.787 1.558 ( 5.809 -13.152 11.539) 18.435 1.991 ( 2.955 3.343 0.450) 4.484 2.318 ( -5.886 -12.772 -2.339) 14.256 2.533 ( -8.176 -11.427 -7.708) 16.026 2.934 ( 6.068 -2.057 22.653) 23.542 3.271 ( 0.123 2.245 -2.560) 3.407 3.428 ( 1.062 -11.427 -0.956) 11.516 3.481 ( -1.553 2.547 -7.675) 8.234 4.018 ( -0.497 1.499 -2.436) 2.903 4.363 ( -0.405 -3.473 -0.208) 3.503 4.451 ( 0.450 -2.045 1.379) 2.508 4.683 ( -0.619 0.547 0.653) 1.053 4.931 ( -0.027 -2.126 0.148) 2.132 5.014 ( 1.772 -2.397 1.609) 3.387 5.046 ( 0.477 -4.360 -2.695) 5.148 5.393 ( 3.446 -1.768 -0.695) 3.935 5.723 ( -5.731 -1.906 0.155) 6.042 6.090 ( -0.701 5.219 -0.817) 5.329 6.202 ( -3.843 -0.106 1.182) 4.022 6.335 ( -2.078 3.941 -1.334) 4.651 6.441 ( -6.380 1.571 6.059) 8.938 6.627 ( 2.808 -3.436 -1.689) 4.748 6.764 ( -1.425 0.200 2.692) 3.053 6.823 ( 2.244 2.888 -4.380) 5.706 7.236 ( -5.894 6.179 -8.545) 12.081 7.330 ( -5.017 6.424 5.220) 9.679 7.547 ( 8.601 -0.295 -2.558) 8.978 8.074 ( 6.052 4.424 -0.947) 7.556 ======================= Grid point 448 (204/324) ======================= q-point: ( 0.36 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 5.405 -6.632 -5.096) 9.958 1.619 ( -0.802 -13.651 -2.008) 13.822 1.958 ( 4.965 -16.519 4.038) 17.715 2.020 ( 4.102 -8.084 5.642) 10.677 2.549 ( -4.690 -13.311 1.399) 14.182 2.714 ( -7.063 -14.203 -8.929) 18.202 3.147 ( 4.803 -10.037 15.838) 19.356 3.225 ( -1.770 -0.688 -0.828) 2.072 3.401 ( -0.554 2.645 -7.910) 8.359 3.668 ( -0.156 -12.922 -1.881) 13.059 3.996 ( 0.386 0.115 -2.982) 3.010 4.417 ( 1.315 -2.212 0.343) 2.597 4.527 ( 0.464 -4.661 3.268) 5.711 4.676 ( -0.927 -0.076 0.925) 1.312 4.990 ( 1.297 -3.802 0.002) 4.018 5.079 ( 2.091 -2.762 -1.936) 3.969 5.124 ( -0.778 -4.545 -1.947) 5.006 5.452 ( 1.343 -3.488 -1.844) 4.168 5.762 ( -3.571 -4.436 2.274) 6.132 5.975 ( -1.049 6.119 1.032) 6.294 6.140 ( -2.616 5.228 -3.688) 6.912 6.268 ( -3.441 0.883 1.736) 3.954 6.391 ( -5.286 2.712 7.952) 9.926 6.685 ( 4.518 1.191 -1.582) 4.933 6.717 ( -0.916 2.604 -3.696) 4.613 6.787 ( -0.132 0.085 0.628) 0.648 7.083 ( -3.048 4.249 -6.617) 8.433 7.188 ( -4.024 7.657 3.561) 9.354 7.585 ( 7.722 -0.123 -2.431) 8.097 7.990 ( 4.985 6.557 -0.671) 8.264 ======================= Grid point 449 (205/324) ======================= q-point: ( 0.43 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 1.680 -9.293 -5.346) 10.851 1.899 ( 1.027 -16.323 -2.710) 16.578 2.143 ( -3.920 -10.648 6.748) 13.201 2.373 ( 11.324 -12.428 13.483) 21.552 2.744 ( -3.020 -8.424 -1.533) 9.079 2.943 ( -6.159 -14.428 -11.098) 19.216 3.231 ( -1.981 -6.685 0.512) 6.991 3.360 ( 1.167 -1.693 -4.227) 4.701 3.486 ( 2.361 -14.805 10.350) 18.218 3.864 ( -2.139 -8.286 -6.211) 10.574 4.005 ( 0.822 -2.176 -1.460) 2.746 4.467 ( 1.594 -2.278 0.261) 2.792 4.608 ( 0.238 -2.013 1.964) 2.822 4.699 ( -0.069 -2.837 0.729) 2.929 5.072 ( -0.037 -2.851 2.197) 3.600 5.121 ( 3.940 -3.585 -9.509) 10.899 5.206 ( -1.347 -4.518 2.476) 5.325 5.512 ( -0.613 -2.807 -3.576) 4.587 5.841 ( -5.620 1.945 1.451) 6.122 5.883 ( 3.200 -2.130 6.438) 7.499 6.014 ( -1.202 4.477 -3.752) 5.964 6.258 ( -2.628 -0.177 1.975) 3.292 6.329 ( -4.483 3.533 7.770) 9.641 6.604 ( 0.381 3.948 -3.398) 5.223 6.677 ( 3.129 4.543 2.174) 5.929 6.816 ( -2.649 -2.953 -3.396) 5.222 6.987 ( -1.789 5.685 -2.570) 6.491 7.059 ( -1.626 2.810 -0.769) 3.337 7.600 ( 4.887 1.358 -3.466) 6.143 7.894 ( 4.762 5.519 1.468) 7.435 ======================= Grid point 450 (206/324) ======================= q-point: ( 0.50 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -1.533 -9.166 -4.875) 10.494 2.219 ( 1.727 -16.946 -0.354) 17.038 2.371 ( -3.773 -13.073 7.219) 15.403 2.642 ( 9.634 -7.725 14.355) 18.936 2.812 ( 0.358 -1.362 -4.740) 4.945 3.073 ( -3.231 -4.257 -4.251) 6.829 3.449 ( -3.278 -16.356 -6.517) 17.909 3.482 ( 0.701 -10.719 0.521) 10.754 3.769 ( 1.547 -10.318 5.858) 11.966 3.905 ( -3.094 -1.780 -7.308) 8.133 4.088 ( 1.507 -4.504 0.243) 4.756 4.511 ( 0.350 -1.359 -0.453) 1.474 4.631 ( -0.542 -1.308 -1.346) 1.953 4.753 ( -0.232 -2.276 -2.199) 3.173 5.109 ( -1.244 -2.679 0.089) 2.955 5.212 ( 4.770 -3.646 -2.663) 6.567 5.289 ( 1.657 -3.568 0.630) 3.984 5.524 ( -3.182 -0.928 -3.420) 4.763 5.733 ( -3.876 4.204 3.835) 6.885 5.965 ( 0.834 0.186 -0.131) 0.864 6.029 ( 3.178 -6.355 6.727) 9.785 6.231 ( -1.654 3.427 3.218) 4.983 6.274 ( -3.721 0.718 1.998) 4.284 6.544 ( 1.766 3.521 -0.480) 3.968 6.606 ( 0.090 2.831 0.626) 2.900 6.762 ( -4.609 6.544 -0.830) 8.047 6.923 ( 0.283 -1.423 -2.995) 3.328 7.037 ( -0.695 -0.492 -3.510) 3.612 7.557 ( 1.377 3.316 -4.274) 5.582 7.849 ( 5.059 2.688 3.644) 6.789 ======================= Grid point 451 (207/324) ======================= q-point: ( 0.57 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -2.560 -7.936 -3.503) 9.045 2.506 ( 1.521 -10.564 3.655) 11.282 2.639 ( -1.991 -15.703 4.447) 16.441 2.778 ( 2.692 0.400 0.301) 2.738 2.881 ( 6.969 -6.611 7.190) 11.998 3.106 ( -1.543 -2.076 -0.819) 2.713 3.684 ( -2.622 -8.995 -6.663) 11.497 3.713 ( 0.414 -11.467 1.072) 11.524 3.796 ( -4.333 0.181 -9.923) 10.830 4.003 ( 1.155 -4.431 4.905) 6.710 4.182 ( 1.363 -6.546 -0.440) 6.701 4.504 ( -0.961 1.502 -1.569) 2.376 4.649 ( -0.901 -0.991 -3.577) 3.819 4.777 ( -1.100 -1.872 -2.597) 3.385 5.161 ( -0.717 -2.501 -0.043) 2.602 5.274 ( 2.560 -1.948 1.161) 3.420 5.326 ( 6.335 2.487 -1.277) 6.925 5.541 ( -5.370 -4.466 0.167) 6.986 5.708 ( -2.448 -2.361 3.874) 5.155 5.972 ( 3.093 1.532 3.876) 5.190 6.116 ( -0.762 2.373 3.382) 4.201 6.195 ( -0.785 -2.049 2.484) 3.314 6.270 ( -0.415 -1.656 -1.387) 2.200 6.448 ( 1.552 6.665 1.129) 6.935 6.587 ( 1.063 3.805 -0.866) 4.044 6.638 ( -4.465 -0.123 -0.076) 4.467 6.955 ( -0.530 -2.166 -2.930) 3.682 7.039 ( -0.700 -0.908 -2.869) 3.089 7.490 ( -0.229 2.529 -3.303) 4.166 7.839 ( 3.814 2.235 3.664) 5.742 ======================= Grid point 452 (208/324) ======================= q-point: ( 0.64 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -1.536 -6.441 -1.587) 6.809 2.628 ( -0.331 -1.769 -0.350) 1.833 2.783 ( 5.303 0.121 1.498) 5.512 2.910 ( 1.795 -8.983 5.728) 10.804 3.057 ( -0.522 -6.819 5.227) 8.608 3.162 ( 1.107 -6.062 1.132) 6.265 3.580 ( -4.525 8.938 -9.857) 14.054 3.867 ( -1.289 -5.613 -2.835) 6.419 3.909 ( -0.099 -7.118 0.227) 7.122 4.034 ( 0.921 0.363 0.272) 1.026 4.353 ( 0.368 -9.290 -0.728) 9.326 4.458 ( -2.034 1.265 -2.139) 3.212 4.636 ( -1.658 0.077 -4.125) 4.446 4.792 ( 1.162 0.857 1.674) 2.210 5.187 ( -0.904 -1.183 -1.617) 2.198 5.273 ( 4.332 3.477 0.269) 5.561 5.330 ( 2.639 -1.070 1.584) 3.259 5.619 ( -3.787 -4.535 1.317) 6.054 5.789 ( -1.196 -5.063 3.721) 6.396 5.964 ( 3.553 0.741 4.460) 5.750 6.033 ( -2.292 4.521 -1.135) 5.195 6.238 ( -0.404 -0.919 1.507) 1.811 6.253 ( 0.038 4.275 -2.499) 4.951 6.392 ( 1.991 -0.592 0.899) 2.263 6.493 ( -2.457 3.617 -0.450) 4.396 6.680 ( 0.201 -3.001 -0.029) 3.007 6.977 ( -0.700 -1.102 -1.832) 2.250 7.056 ( -0.581 -1.989 -1.340) 2.468 7.453 ( -0.305 0.515 -1.928) 2.019 7.807 ( 1.740 3.678 2.600) 4.829 ======================= Grid point 453 (209/324) ======================= q-point: (-0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -0.255 -2.969 -0.077) 2.981 2.606 ( 0.036 2.637 -0.576) 2.699 2.808 ( 4.476 1.020 0.507) 4.619 2.993 ( 2.400 0.815 1.009) 2.728 3.105 ( -3.209 1.322 -0.070) 3.471 3.266 ( -3.327 5.679 -3.621) 7.512 3.457 ( 0.766 -7.604 4.339) 8.788 3.899 ( -0.195 1.254 0.376) 1.323 3.971 ( 0.438 0.186 0.334) 0.581 4.052 ( -0.273 -2.065 -4.237) 4.721 4.410 ( -1.410 -0.063 -0.942) 1.697 4.508 ( -0.692 -3.756 -0.709) 3.884 4.627 ( -1.211 -1.115 -2.787) 3.236 4.757 ( 2.810 4.401 5.329) 7.461 5.186 ( 0.067 0.550 -0.627) 0.836 5.281 ( 2.716 -2.692 0.098) 3.825 5.330 ( 0.995 2.189 -1.754) 2.976 5.651 ( -2.751 -0.555 1.303) 3.094 5.845 ( -0.537 2.410 1.264) 2.774 5.979 ( -1.521 -3.178 1.023) 3.669 6.032 ( 2.922 -2.769 1.114) 4.177 6.116 ( -0.257 4.465 -1.959) 4.883 6.292 ( -0.750 -2.769 -0.564) 2.923 6.390 ( 1.214 2.348 0.506) 2.691 6.438 ( -2.428 1.312 -0.221) 2.768 6.738 ( 1.114 -2.729 0.515) 2.993 6.981 ( -0.436 0.019 -0.353) 0.561 7.103 ( -0.130 -3.284 -0.256) 3.297 7.456 ( 0.378 -1.031 -0.695) 1.299 7.726 ( -0.254 5.718 1.119) 5.832 ======================= Grid point 454 (210/324) ======================= q-point: (-0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -0.196 4.434 0.689) 4.492 2.547 ( 0.195 4.287 0.548) 4.327 2.771 ( 2.841 4.643 -2.788) 6.116 2.890 ( -4.183 13.932 -3.383) 14.935 2.970 ( 0.347 2.701 -2.676) 3.818 3.176 ( -0.244 1.475 -0.858) 1.724 3.657 ( 1.583 -6.629 8.553) 10.936 3.842 ( 0.111 4.964 2.142) 5.408 3.930 ( 0.482 3.875 0.948) 4.018 4.058 ( -1.164 -0.359 -6.104) 6.224 4.396 ( 0.389 4.106 0.241) 4.132 4.490 ( 0.436 2.324 1.267) 2.683 4.657 ( -0.976 -2.089 -0.789) 2.437 4.706 ( 2.227 3.515 5.817) 7.153 5.171 ( -0.172 1.389 -0.521) 1.494 5.268 ( -0.015 2.740 -4.515) 5.281 5.372 ( 1.158 -4.729 1.305) 5.041 5.648 ( -0.627 -0.192 -0.434) 0.787 5.759 ( -1.236 3.925 -1.179) 4.280 5.928 ( -1.091 6.470 -4.981) 8.238 6.092 ( -0.599 -5.767 2.151) 6.184 6.216 ( 1.850 -7.205 1.933) 7.686 6.303 ( -1.516 0.564 0.223) 1.632 6.380 ( 3.262 0.454 0.020) 3.294 6.393 ( -2.899 0.393 -0.698) 3.007 6.793 ( 0.418 -2.411 1.047) 2.662 6.972 ( -0.013 0.910 1.215) 1.518 7.173 ( 0.147 -4.065 0.166) 4.071 7.483 ( 0.796 -1.348 0.082) 1.567 7.601 ( -0.968 7.028 -0.312) 7.101 ======================= Grid point 455 (211/324) ======================= q-point: (-0.14 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -0.475 11.089 2.025) 11.283 2.381 ( -2.479 13.727 0.324) 13.953 2.612 ( -1.273 12.417 -1.730) 12.601 2.650 ( 1.564 7.830 -6.373) 10.216 2.963 ( 1.045 -2.364 -1.762) 3.128 3.158 ( 0.009 0.337 -0.116) 0.357 3.672 ( 1.059 8.205 6.175) 10.324 3.712 ( 0.071 9.287 0.511) 9.301 3.896 ( 0.936 1.418 4.095) 4.433 4.006 ( -2.214 4.492 -3.542) 6.134 4.232 ( 2.606 10.023 -1.314) 10.439 4.507 ( 0.038 -1.334 2.823) 3.122 4.643 ( -0.221 2.989 2.893) 4.166 4.693 ( 1.489 0.665 1.159) 2.000 5.119 ( 0.007 3.245 0.368) 3.265 5.227 ( 0.225 0.594 -5.439) 5.476 5.420 ( -1.271 1.429 2.290) 2.984 5.648 ( 2.077 0.749 -2.214) 3.127 5.717 ( -3.568 -1.151 -0.637) 3.803 5.836 ( 0.334 0.044 -5.937) 5.947 6.155 ( -3.485 0.284 4.242) 5.497 6.258 ( -0.129 -1.475 -0.506) 1.565 6.318 ( 1.977 3.301 0.394) 3.868 6.401 ( -0.146 -5.989 -1.622) 6.206 6.465 ( 1.129 -6.255 0.448) 6.371 6.839 ( -0.048 -2.303 1.160) 2.579 6.953 ( 0.293 1.712 2.312) 2.892 7.245 ( -3.266 -3.436 0.263) 4.748 7.467 ( 1.480 4.637 -0.195) 4.871 7.520 ( 2.143 -0.643 -0.366) 2.267 ======================= Grid point 456 (212/324) ======================= q-point: (-0.07 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.074 13.550 4.520) 14.284 2.077 ( -1.289 16.548 6.328) 17.764 2.360 ( -0.607 13.546 -6.062) 14.853 2.467 ( 0.470 9.810 -8.931) 13.275 3.033 ( -0.367 -3.364 0.123) 3.386 3.164 ( 0.433 -0.814 0.604) 1.103 3.458 ( 2.037 15.922 9.263) 18.532 3.499 ( -0.811 13.224 0.952) 13.284 3.726 ( -2.163 13.918 -10.143) 17.357 3.942 ( 1.440 3.335 7.931) 8.723 4.104 ( 1.462 4.950 -3.975) 6.515 4.513 ( 0.362 2.014 2.614) 3.319 4.587 ( -0.444 3.108 2.354) 3.924 4.676 ( 0.786 1.500 -0.743) 1.849 5.075 ( 1.004 2.129 2.537) 3.461 5.207 ( 1.492 0.537 -7.282) 7.453 5.330 ( -1.693 6.544 1.442) 6.912 5.619 ( 0.987 2.332 -1.343) 2.867 5.746 ( -4.047 -3.542 -0.117) 5.380 5.898 ( 3.072 -5.039 -2.597) 6.448 6.111 ( -6.532 1.534 3.360) 7.504 6.264 ( 2.823 1.271 1.107) 3.288 6.320 ( -2.699 -3.113 -1.039) 4.249 6.490 ( 2.047 -4.199 -1.463) 4.895 6.589 ( -0.344 -4.966 -0.234) 4.984 6.900 ( 1.789 -3.941 0.576) 4.366 6.920 ( 0.400 2.553 2.039) 3.292 7.234 ( -11.093 -0.058 0.277) 11.097 7.458 ( 9.288 0.295 -0.032) 9.293 7.567 ( 2.438 -3.867 0.131) 4.573 ======================= Grid point 461 (213/324) ======================= q-point: ( 0.29 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 12.015 0.000 -9.936) 15.591 1.301 ( 1.004 0.000 -8.000) 8.063 1.518 ( 7.214 0.000 12.291) 14.252 2.079 ( -5.084 -0.000 -17.890) 18.598 2.122 ( 1.580 0.000 12.279) 12.380 2.348 ( -9.371 -0.000 -1.888) 9.559 3.034 ( 5.444 0.000 25.851) 26.418 3.293 ( 1.703 0.000 -3.760) 4.127 3.294 ( -0.519 -0.000 -3.999) 4.033 3.472 ( -2.547 -0.000 -10.115) 10.430 4.022 ( -1.630 -0.000 -3.298) 3.679 4.315 ( -0.273 -0.000 -0.625) 0.682 4.441 ( 0.530 0.000 1.401) 1.498 4.685 ( -0.574 -0.000 -0.550) 0.795 4.913 ( -0.064 -0.000 1.204) 1.206 5.000 ( 0.762 0.000 1.215) 1.434 5.001 ( 1.275 0.000 0.717) 1.462 5.401 ( 5.254 0.000 -0.453) 5.274 5.681 ( -4.365 -0.000 0.807) 4.438 6.153 ( -6.901 -0.000 -1.708) 7.109 6.159 ( 1.125 0.000 -0.034) 1.125 6.378 ( -1.298 -0.000 -0.209) 1.314 6.431 ( -6.478 -0.000 2.051) 6.795 6.582 ( -0.076 -0.000 0.472) 0.478 6.778 ( -0.071 -0.000 1.523) 1.524 6.853 ( 3.024 0.000 -1.888) 3.565 7.235 ( -7.785 -0.000 -9.733) 12.463 7.389 ( -5.322 -0.000 3.928) 6.615 7.583 ( 9.631 0.000 -1.998) 9.836 8.141 ( 4.693 0.000 -1.529) 4.936 ======================= Grid point 462 (214/324) ======================= q-point: ( 0.36 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 6.714 -4.595 -9.150) 12.244 1.398 ( 3.702 -10.533 -2.009) 11.344 1.672 ( 7.738 -12.682 3.363) 15.232 1.971 ( -3.917 1.361 -4.754) 6.308 2.283 ( -5.567 -12.377 6.316) 14.969 2.444 ( -2.721 -10.808 -1.683) 11.271 3.094 ( 3.238 -0.994 18.976) 19.276 3.251 ( -0.536 2.763 -3.674) 4.629 3.412 ( -1.730 0.613 -9.911) 10.079 3.429 ( -0.236 -10.341 -2.208) 10.577 3.997 ( -0.333 0.730 -3.850) 3.933 4.362 ( 0.120 -4.283 0.181) 4.288 4.464 ( 0.449 -2.068 2.261) 3.097 4.678 ( -0.760 0.380 0.083) 0.854 4.937 ( 0.711 -2.298 0.828) 2.544 5.035 ( 0.128 -2.613 -1.265) 2.906 5.042 ( 1.355 -3.001 2.311) 4.023 5.427 ( 4.345 -0.457 -0.970) 4.475 5.689 ( -2.210 -2.248 2.288) 3.896 6.063 ( -3.527 4.113 -2.263) 5.872 6.171 ( -2.826 0.567 0.009) 2.883 6.305 ( -2.109 4.121 -2.157) 5.107 6.417 ( -5.407 0.443 6.302) 8.316 6.632 ( 0.157 -4.293 -1.317) 4.493 6.750 ( -1.314 2.379 -3.190) 4.191 6.851 ( 4.183 2.040 2.093) 5.103 7.126 ( -6.528 4.388 -9.583) 12.397 7.313 ( -3.313 5.923 3.817) 7.786 7.622 ( 8.944 0.221 -1.545) 9.079 8.112 ( 3.460 4.263 -2.049) 5.860 ======================= Grid point 463 (215/324) ======================= q-point: ( 0.43 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 1.254 -6.131 -7.349) 9.652 1.622 ( 3.449 -12.368 -5.511) 13.973 1.986 ( -4.037 -6.209 10.780) 13.079 2.094 ( 6.706 -23.060 -1.358) 24.054 2.540 ( -3.093 -14.432 3.331) 15.132 2.635 ( -0.892 -10.064 0.067) 10.104 3.186 ( -2.562 1.011 -3.214) 4.232 3.266 ( 2.353 -10.912 12.768) 16.960 3.351 ( -0.333 1.249 -8.218) 8.319 3.645 ( -1.822 -11.772 -3.088) 12.306 3.980 ( 0.268 -0.200 -4.327) 4.340 4.438 ( 2.055 -2.543 1.200) 3.483 4.548 ( 0.195 -5.351 3.821) 6.578 4.665 ( -1.716 0.048 -0.156) 1.724 5.011 ( 2.510 -4.422 0.652) 5.127 5.065 ( -0.667 -1.416 -6.025) 6.224 5.123 ( 0.225 -4.161 2.715) 4.973 5.460 ( 2.656 -1.770 -2.417) 4.004 5.758 ( -0.637 -4.661 3.919) 6.122 5.970 ( -1.168 4.200 1.047) 4.484 6.083 ( -4.212 5.285 -5.368) 8.630 6.253 ( -1.915 0.702 2.431) 3.173 6.387 ( -4.694 2.252 8.844) 10.262 6.665 ( -2.754 3.051 -4.166) 5.852 6.717 ( 2.327 -3.372 -3.708) 5.526 6.812 ( 3.189 4.969 2.665) 6.478 7.009 ( -4.213 1.995 -7.595) 8.911 7.178 ( -1.693 7.829 2.679) 8.446 7.645 ( 7.072 1.137 -1.974) 7.430 8.022 ( 2.590 5.794 -1.155) 6.451 ======================= Grid point 464 (216/324) ======================= q-point: ( 0.50 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -2.280 -8.951 -6.722) 11.424 1.885 ( 0.360 -16.757 -7.297) 18.280 2.161 ( -2.729 -10.331 14.621) 18.109 2.535 ( 9.334 -16.364 8.149) 20.526 2.741 ( 1.556 -5.578 3.197) 6.615 2.841 ( -3.695 -14.009 -8.217) 16.656 3.207 ( -3.090 -6.076 -0.136) 6.817 3.341 ( 0.482 -3.571 -5.645) 6.697 3.560 ( 1.896 -14.153 9.427) 17.111 3.801 ( -3.490 -6.437 -7.464) 10.456 4.004 ( 0.863 -3.812 -2.478) 4.628 4.487 ( 1.728 -1.495 0.724) 2.396 4.612 ( -0.761 -0.541 0.795) 1.226 4.697 ( -0.951 -3.443 0.722) 3.644 5.059 ( -1.905 -1.448 -2.666) 3.583 5.131 ( 4.593 -5.880 -3.655) 8.308 5.209 ( -0.069 -4.606 1.643) 4.891 5.492 ( 0.416 -1.037 -3.649) 3.816 5.800 ( -4.191 2.622 1.098) 5.064 5.953 ( 3.623 -1.931 3.412) 5.338 5.982 ( -1.376 0.261 0.082) 1.403 6.248 ( -1.730 -0.028 2.859) 3.342 6.332 ( -4.153 3.915 8.915) 10.586 6.589 ( 0.017 2.619 -2.876) 3.889 6.713 ( 1.628 6.583 1.190) 6.885 6.775 ( -1.155 -2.417 -3.997) 4.812 6.957 ( -1.352 2.273 -3.504) 4.390 7.039 ( -1.174 4.733 -1.278) 5.041 7.623 ( 3.814 3.381 -3.618) 6.250 7.938 ( 2.702 3.974 1.639) 5.077 ======================= Grid point 465 (217/324) ======================= q-point: ( 0.57 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -3.717 -9.596 -5.726) 11.776 2.218 ( -0.677 -19.560 -2.563) 19.739 2.392 ( -1.624 -10.900 11.728) 16.093 2.803 ( 3.558 -0.575 -1.918) 4.083 2.820 ( 9.857 -7.183 13.001) 17.827 3.020 ( -2.895 -7.108 -4.360) 8.827 3.385 ( -3.285 -14.727 -5.749) 16.147 3.491 ( 0.119 -11.718 1.058) 11.766 3.761 ( -2.889 -2.052 -8.716) 9.408 3.878 ( 0.080 -8.830 4.405) 9.868 4.101 ( 1.672 -4.902 -0.907) 5.258 4.512 ( 0.248 -0.333 -0.196) 0.459 4.619 ( -0.479 -0.925 -1.277) 1.648 4.723 ( -2.329 -1.095 -3.828) 4.613 5.102 ( -0.889 -3.579 1.000) 3.821 5.234 ( 1.308 -3.750 -1.018) 4.100 5.319 ( 5.429 -5.491 -1.767) 7.921 5.476 ( -3.046 0.492 -3.297) 4.515 5.716 ( -2.834 3.057 2.608) 4.917 5.968 ( -0.472 -2.256 0.355) 2.332 6.111 ( 5.306 -5.457 8.274) 11.243 6.233 ( -0.840 3.029 2.031) 3.742 6.255 ( -3.542 2.671 4.920) 6.625 6.556 ( 1.622 1.850 -0.808) 2.590 6.603 ( -1.225 3.791 -0.483) 4.013 6.727 ( -1.883 6.644 -0.524) 6.926 6.909 ( 0.071 -0.510 -3.024) 3.067 7.007 ( -1.303 -1.078 -4.597) 4.898 7.546 ( 0.867 4.285 -4.014) 5.936 7.905 ( 2.675 2.126 3.379) 4.805 ======================= Grid point 466 (218/324) ======================= q-point: (-0.36 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -2.650 -9.103 -3.594) 10.140 2.536 ( 1.543 -9.746 2.234) 10.117 2.631 ( -4.697 -16.448 6.301) 18.229 2.821 ( 6.229 -0.250 -1.741) 6.472 2.998 ( 7.172 -4.079 11.204) 13.914 3.089 ( -1.154 -3.339 -0.338) 3.549 3.618 ( -3.384 -6.995 -7.198) 10.593 3.693 ( -5.072 -2.317 -11.869) 13.114 3.726 ( 0.258 -11.690 1.956) 11.856 4.035 ( 0.871 -3.421 3.799) 5.186 4.198 ( 2.163 -6.251 -0.402) 6.627 4.487 ( -1.010 2.434 -1.312) 2.944 4.619 ( -0.943 0.156 -4.400) 4.503 4.753 ( -1.490 -4.174 -1.420) 4.654 5.155 ( -0.744 -1.721 0.264) 1.894 5.298 ( 1.750 -2.690 0.224) 3.217 5.376 ( 3.991 3.168 -1.395) 5.283 5.499 ( -1.999 -6.264 -0.056) 6.576 5.708 ( -1.333 -2.767 3.324) 4.526 6.018 ( 1.609 -0.829 4.280) 4.648 6.119 ( -1.471 5.723 2.949) 6.604 6.196 ( -1.076 1.143 0.852) 1.786 6.285 ( 3.046 -4.292 2.446) 5.803 6.465 ( 0.934 6.543 0.631) 6.639 6.573 ( -2.648 6.750 -1.633) 7.432 6.617 ( 0.181 -3.099 -0.150) 3.108 6.932 ( -1.107 -2.288 -2.779) 3.766 7.018 ( -0.452 -1.520 -3.164) 3.539 7.472 ( -0.266 2.485 -2.883) 3.816 7.882 ( 1.540 2.609 3.203) 4.409 ======================= Grid point 467 (219/324) ======================= q-point: (-0.29 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.937 -7.537 -1.375) 7.719 2.624 ( -0.140 -0.885 -0.294) 0.943 2.831 ( 2.610 -1.827 1.777) 3.648 2.964 ( 3.087 -9.715 5.205) 11.446 3.077 ( -0.073 -1.145 4.080) 4.239 3.187 ( 1.711 -6.920 3.338) 7.871 3.482 ( -5.027 7.372 -10.076) 13.459 3.831 ( -2.117 -7.725 -3.768) 8.852 3.914 ( 0.371 -7.119 0.776) 7.171 4.041 ( 0.733 1.873 -0.434) 2.057 4.357 ( 0.981 -8.186 -0.671) 8.271 4.430 ( -1.375 1.488 -1.690) 2.638 4.601 ( -1.253 -0.409 -3.743) 3.968 4.815 ( 1.078 -1.334 2.339) 2.901 5.172 ( -0.377 -1.013 -1.406) 1.774 5.298 ( 0.085 2.933 0.338) 2.953 5.354 ( 1.408 -0.167 -0.400) 1.473 5.611 ( 0.957 -4.258 1.880) 4.752 5.804 ( -0.124 -5.863 4.159) 7.189 6.002 ( -1.918 4.368 1.446) 4.985 6.020 ( 2.306 2.599 1.347) 3.726 6.209 ( -1.726 -2.762 -2.805) 4.298 6.276 ( 1.896 7.864 2.369) 8.429 6.414 ( 1.656 -1.397 0.640) 2.259 6.463 ( -2.678 3.547 -1.142) 4.589 6.682 ( 0.185 -3.444 -0.092) 3.450 6.960 ( -0.920 -1.721 -1.558) 2.497 7.046 ( -0.019 -2.335 -1.242) 2.645 7.442 ( -0.128 0.007 -1.573) 1.579 7.829 ( 0.231 4.414 2.188) 4.932 ======================= Grid point 468 (220/324) ======================= q-point: (-0.21 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -0.403 -3.385 0.033) 3.409 2.607 ( 0.748 1.975 -0.413) 2.152 2.845 ( 2.519 2.034 -0.026) 3.238 3.030 ( 3.730 2.721 1.488) 4.851 3.063 ( -4.027 5.460 -2.009) 7.076 3.218 ( -2.883 4.331 -2.511) 5.777 3.493 ( 1.034 -11.780 5.712) 13.132 3.900 ( -0.177 -0.273 0.514) 0.609 3.978 ( 0.925 0.672 -0.228) 1.166 4.020 ( -1.297 -0.931 -4.605) 4.874 4.398 ( -0.161 -0.518 -0.696) 0.882 4.499 ( -0.490 -4.210 -0.397) 4.257 4.608 ( -0.458 -1.496 -1.858) 2.429 4.812 ( 2.942 3.364 4.800) 6.559 5.181 ( -0.050 -0.105 -0.705) 0.715 5.284 ( -2.270 -2.571 -0.087) 3.431 5.321 ( 0.068 3.341 -3.637) 4.939 5.660 ( 2.492 0.097 2.721) 3.691 5.848 ( -0.474 4.789 1.665) 5.093 5.979 ( -0.443 -5.551 2.407) 6.067 6.052 ( 0.961 1.089 -1.356) 1.988 6.098 ( -0.777 2.338 -2.684) 3.644 6.290 ( 0.294 -3.285 0.729) 3.378 6.388 ( -2.279 3.080 0.355) 3.848 6.432 ( 1.623 0.901 -0.133) 1.861 6.743 ( -0.541 -3.018 0.230) 3.075 6.978 ( 0.099 -0.563 -0.197) 0.605 7.099 ( -0.457 -3.446 -0.117) 3.478 7.457 ( 0.425 -1.545 -0.660) 1.733 7.730 ( -0.202 6.378 0.978) 6.455 ======================= Grid point 469 (221/324) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -1.075 4.255 0.666) 4.439 2.557 ( 1.588 5.329 0.147) 5.562 2.772 ( 0.380 5.681 -3.404) 6.633 2.840 ( -3.427 12.113 -0.524) 12.599 2.973 ( 2.776 3.927 -2.391) 5.371 3.165 ( -1.311 0.982 -0.383) 1.682 3.716 ( 2.179 -6.446 7.309) 9.986 3.854 ( 0.322 4.982 1.868) 5.330 3.938 ( 0.079 3.105 0.769) 3.200 4.008 ( -2.366 -0.146 -6.345) 6.773 4.404 ( 1.166 3.175 -0.002) 3.383 4.497 ( -0.238 1.480 0.914) 1.756 4.649 ( -0.129 -2.499 -0.206) 2.511 4.762 ( 3.371 4.397 4.631) 7.221 5.171 ( 0.557 1.393 -0.036) 1.501 5.239 ( -0.450 2.914 -5.011) 5.814 5.353 ( -5.357 -5.418 0.009) 7.619 5.671 ( 4.679 0.610 0.338) 4.731 5.752 ( -0.529 4.505 1.604) 4.811 5.887 ( -1.894 7.254 -4.825) 8.915 6.098 ( -0.480 -5.195 1.974) 5.578 6.232 ( 0.543 -9.429 -1.066) 9.504 6.290 ( -2.152 3.534 2.438) 4.803 6.367 ( -1.385 -0.784 -1.084) 1.925 6.416 ( 3.989 0.287 0.264) 4.008 6.791 ( -1.685 -2.608 0.453) 3.138 6.981 ( 0.522 0.562 1.077) 1.322 7.164 ( -1.967 -3.703 0.107) 4.194 7.487 ( 0.227 -1.319 -0.172) 1.349 7.607 ( 2.155 6.533 0.038) 6.880 ======================= Grid point 470 (222/324) ======================= q-point: (-0.07 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -0.677 10.180 1.704) 10.344 2.369 ( -1.092 13.670 1.811) 13.833 2.606 ( 0.299 12.814 0.537) 12.829 2.637 ( 2.387 8.970 -5.403) 10.740 2.952 ( -1.033 -2.643 -2.651) 3.883 3.152 ( -0.882 -0.194 -0.246) 0.936 3.705 ( -0.919 10.778 1.535) 10.925 3.724 ( 2.484 7.099 4.266) 8.647 3.902 ( -0.475 5.598 -2.760) 6.259 3.982 ( -1.671 -0.916 1.739) 2.580 4.242 ( 1.337 10.537 -2.560) 10.926 4.522 ( 0.190 -1.531 2.104) 2.609 4.658 ( 0.479 2.343 2.079) 3.169 4.719 ( 2.756 2.441 1.113) 3.846 5.131 ( 1.002 2.826 2.020) 3.615 5.200 ( 0.733 0.256 -5.867) 5.918 5.393 ( -5.454 -0.325 0.289) 5.472 5.657 ( 1.411 2.584 -2.390) 3.792 5.695 ( -1.834 0.925 2.400) 3.159 5.826 ( 2.728 -2.462 -3.512) 5.083 6.141 ( -3.705 1.748 3.651) 5.487 6.243 ( -2.161 -1.126 -0.584) 2.506 6.330 ( 0.515 2.566 -0.123) 2.620 6.395 ( 0.545 -6.983 -1.426) 7.148 6.489 ( 3.012 -4.933 0.527) 5.803 6.834 ( -1.991 -3.135 0.338) 3.729 6.967 ( 0.437 1.580 1.515) 2.232 7.190 ( -6.846 -0.495 -0.364) 6.874 7.507 ( 3.713 -0.806 1.423) 4.057 7.544 ( 4.848 1.756 -1.242) 5.304 ======================= Grid point 476 (223/324) ======================= q-point: ( 0.36 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 11.758 0.000 -10.172) 15.548 1.304 ( 3.737 0.000 0.868) 3.836 1.606 ( 4.610 0.000 -5.760) 7.378 1.961 ( -4.569 -0.000 -4.517) 6.425 2.126 ( -10.902 -0.000 3.258) 11.378 2.332 ( 3.737 0.000 9.391) 10.107 3.180 ( -0.921 -0.000 15.499) 15.527 3.276 ( 0.097 0.000 -5.848) 5.849 3.276 ( 0.776 0.000 -0.121) 0.785 3.389 ( -1.810 -0.000 -11.026) 11.174 3.992 ( -0.404 -0.000 -4.418) 4.436 4.307 ( -0.434 -0.000 -0.922) 1.019 4.458 ( 1.132 0.000 2.587) 2.824 4.678 ( -0.257 -0.000 -0.466) 0.532 4.921 ( 0.226 0.000 1.691) 1.706 5.015 ( 0.875 0.000 0.705) 1.123 5.022 ( 1.102 0.000 3.778) 3.935 5.447 ( 4.289 0.000 -0.251) 4.297 5.671 ( 0.791 0.000 2.679) 2.794 6.067 ( -7.724 -0.000 -3.650) 8.543 6.169 ( 0.969 0.000 -0.092) 0.973 6.365 ( -1.158 -0.000 -0.253) 1.186 6.373 ( -6.318 -0.000 -0.666) 6.353 6.588 ( -0.598 -0.000 2.595) 2.663 6.757 ( -1.595 -0.000 -4.305) 4.591 6.892 ( 3.006 0.000 2.578) 3.960 7.117 ( -5.655 -0.000 -9.073) 10.691 7.368 ( -2.859 -0.000 2.712) 3.941 7.665 ( 8.801 0.000 -0.690) 8.828 8.160 ( 1.756 0.000 -2.885) 3.378 ======================= Grid point 477 (224/324) ======================= q-point: ( 0.43 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 4.160 -1.405 -4.075) 5.991 1.436 ( 5.923 -9.232 -5.335) 12.197 1.695 ( 1.510 -14.716 -13.369) 19.940 1.935 ( -3.870 -0.747 10.552) 11.264 2.230 ( -7.237 -13.853 0.163) 15.630 2.493 ( 5.308 -9.253 11.148) 15.429 3.151 ( -2.818 0.049 0.817) 2.935 3.237 ( -0.458 1.448 -1.732) 2.303 3.349 ( -0.297 0.452 -7.847) 7.866 3.423 ( -0.986 -9.651 3.128) 10.193 3.973 ( 0.209 0.524 -5.147) 5.178 4.365 ( 0.329 -5.624 0.272) 5.640 4.486 ( 1.185 -1.757 3.158) 3.804 4.670 ( -0.738 0.726 -0.301) 1.078 4.951 ( 1.019 -2.652 0.904) 2.981 5.026 ( -0.648 -0.927 -0.661) 1.310 5.074 ( 1.570 -2.781 4.141) 5.229 5.460 ( 3.653 0.179 -1.293) 3.879 5.708 ( 2.633 -2.058 4.026) 5.232 6.003 ( -5.530 1.630 -3.274) 6.630 6.146 ( -2.201 3.600 -1.299) 4.415 6.276 ( -1.558 2.491 -1.878) 3.487 6.402 ( -4.342 -0.890 5.532) 7.088 6.619 ( -1.852 -2.680 -0.521) 3.299 6.719 ( -0.361 1.694 -5.342) 5.616 6.898 ( 1.794 1.167 2.233) 3.093 7.030 ( -3.117 4.268 -7.329) 9.036 7.307 ( -1.267 5.431 2.260) 6.017 7.697 ( 7.719 0.803 -0.428) 7.772 8.118 ( 0.532 3.845 -3.096) 4.965 ======================= Grid point 478 (225/324) ======================= q-point: ( 0.50 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -1.883 -4.265 -3.862) 6.054 1.589 ( -1.328 -11.013 -12.376) 16.620 2.034 ( -0.219 -7.428 17.103) 18.647 2.117 ( 2.214 -26.555 -5.927) 27.298 2.508 ( -1.364 -16.378 -2.500) 16.624 2.708 ( 5.110 -6.459 13.403) 15.731 3.134 ( -3.776 -0.822 -4.684) 6.073 3.276 ( -0.256 -3.581 -9.376) 10.040 3.365 ( 1.104 -6.583 8.351) 10.691 3.607 ( -2.858 -9.983 -1.894) 10.556 3.957 ( 0.326 -0.562 -5.548) 5.586 4.464 ( 1.925 -2.808 1.279) 3.637 4.572 ( 0.462 -5.580 4.360) 7.097 4.645 ( -1.863 0.519 -0.545) 2.009 5.019 ( -0.955 -1.471 -6.466) 6.699 5.041 ( 1.320 -4.035 1.978) 4.683 5.145 ( 1.191 -3.000 2.850) 4.306 5.475 ( 3.381 -0.549 -2.892) 4.483 5.784 ( 1.367 -2.716 3.956) 4.989 5.960 ( -2.433 -0.202 0.004) 2.441 6.017 ( -3.166 5.844 -4.355) 7.946 6.258 ( -0.080 0.361 3.164) 3.186 6.390 ( -4.447 1.797 8.965) 10.168 6.617 ( -2.790 1.224 -3.463) 4.613 6.710 ( 1.210 -2.039 -4.993) 5.528 6.860 ( 3.334 6.181 2.650) 7.506 6.932 ( -3.777 0.497 -7.173) 8.122 7.180 ( -0.054 7.978 1.447) 8.108 7.696 ( 5.523 2.616 -1.683) 6.339 8.027 ( -0.010 4.551 -1.319) 4.739 ======================= Grid point 479 (226/324) ======================= q-point: (-0.43 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -4.587 -8.347 -5.069) 10.790 1.828 ( -4.259 -18.385 -6.653) 20.010 2.242 ( 2.282 -9.080 16.034) 18.567 2.600 ( 1.834 -22.329 -2.892) 22.590 2.758 ( 2.167 -10.428 -7.044) 12.770 2.858 ( 5.341 -4.108 13.054) 14.691 3.175 ( -3.321 -6.241 0.375) 7.080 3.312 ( -0.430 -5.599 -5.487) 7.851 3.605 ( 0.131 -12.091 1.304) 12.161 3.736 ( -2.907 -6.377 -2.372) 7.399 3.996 ( 0.869 -5.114 -3.721) 6.384 4.504 ( 1.076 -0.770 0.650) 1.474 4.605 ( -1.185 0.253 -0.023) 1.212 4.692 ( -1.046 -2.280 1.560) 2.954 5.025 ( -1.629 -3.133 -3.280) 4.820 5.148 ( 0.571 -5.018 -0.433) 5.069 5.227 ( 3.464 -5.083 -1.041) 6.238 5.481 ( 1.333 0.825 -3.677) 3.997 5.775 ( -2.104 3.358 0.832) 4.049 5.929 ( -3.142 -0.165 -2.627) 4.099 6.040 ( 4.075 -5.777 5.757) 9.117 6.262 ( 0.736 0.671 5.234) 5.328 6.341 ( -3.776 3.864 9.063) 10.551 6.575 ( 0.027 1.148 -2.719) 2.951 6.697 ( -2.277 4.549 -4.135) 6.555 6.776 ( 2.541 1.644 -0.003) 3.027 6.922 ( -1.851 -1.188 -4.486) 4.996 7.027 ( -0.080 7.597 -1.002) 7.663 7.634 ( 2.353 5.043 -3.616) 6.636 7.961 ( 0.308 2.474 1.720) 3.029 ======================= Grid point 480 (227/324) ======================= q-point: (-0.36 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -3.781 -10.448 -4.253) 11.897 2.186 ( -3.822 -21.917 -0.589) 22.255 2.454 ( 1.550 -8.077 11.123) 13.833 2.811 ( 3.904 -3.037 -6.157) 7.897 2.973 ( -0.136 -9.849 -2.103) 10.072 2.999 ( 7.705 -4.185 14.503) 16.947 3.330 ( -2.967 -13.122 -3.874) 14.000 3.494 ( -0.556 -12.939 1.088) 12.997 3.659 ( -5.176 0.466 -13.833) 14.777 3.918 ( 1.139 -9.832 6.650) 11.924 4.109 ( 1.671 -5.733 -2.311) 6.403 4.512 ( -0.259 0.517 0.006) 0.578 4.611 ( -0.086 -1.123 -0.410) 1.198 4.678 ( -2.537 0.362 -3.850) 4.625 5.100 ( -1.526 -4.245 2.158) 5.000 5.228 ( -0.797 -4.535 -1.397) 4.812 5.367 ( 6.804 -7.111 -3.344) 10.395 5.437 ( -1.528 2.496 -2.790) 4.043 5.710 ( -0.792 2.267 2.095) 3.187 5.960 ( -2.093 -4.024 1.184) 4.688 6.195 ( 3.016 -6.329 4.313) 8.232 6.241 ( 0.366 4.685 4.007) 6.176 6.268 ( 0.204 3.874 7.840) 8.747 6.562 ( 0.323 3.119 -3.467) 4.675 6.578 ( -1.432 1.238 -1.054) 2.167 6.721 ( 0.219 7.184 0.759) 7.228 6.895 ( 0.060 0.859 -2.459) 2.605 6.967 ( -1.738 -2.084 -4.885) 5.588 7.533 ( 0.351 4.797 -3.435) 5.911 7.934 ( -0.025 1.653 2.814) 3.264 ======================= Grid point 481 (228/324) ======================= q-point: (-0.29 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -1.364 -10.291 -2.278) 10.628 2.556 ( 0.747 -11.690 0.904) 11.749 2.622 ( -4.553 -13.017 6.989) 15.461 2.867 ( 5.766 -2.828 -3.141) 7.149 3.071 ( -0.515 -2.862 0.736) 2.999 3.138 ( 6.788 -2.541 12.334) 14.306 3.535 ( -5.224 2.843 -11.560) 13.000 3.594 ( -3.489 -12.986 -7.173) 15.240 3.738 ( 0.139 -11.692 1.700) 11.815 4.059 ( 0.533 -2.199 2.685) 3.511 4.215 ( 2.262 -6.476 -1.265) 6.976 4.473 ( -0.797 3.000 -0.651) 3.172 4.589 ( -0.714 1.141 -3.949) 4.172 4.737 ( -1.072 -6.217 -0.091) 6.309 5.149 ( -1.027 -1.455 0.679) 1.906 5.308 ( 0.654 -3.475 -0.796) 3.624 5.367 ( -3.285 3.003 -0.943) 4.550 5.524 ( 6.721 -6.533 -1.184) 9.447 5.719 ( 0.077 -2.982 2.987) 4.222 6.032 ( -2.854 -2.773 3.348) 5.200 6.133 ( 0.982 6.701 3.676) 7.706 6.190 ( 0.011 3.824 -0.544) 3.862 6.337 ( 3.487 -4.236 3.881) 6.720 6.469 ( -0.309 4.722 -0.705) 4.785 6.539 ( -2.199 8.075 -1.063) 8.437 6.625 ( 1.735 -2.200 -0.563) 2.858 6.907 ( -1.612 -2.334 -1.940) 3.436 6.999 ( -0.068 -2.526 -2.841) 3.802 7.457 ( -0.115 2.339 -2.154) 3.182 7.900 ( -0.950 2.653 2.419) 3.714 ======================= Grid point 482 (229/324) ======================= q-point: (-0.21 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.196 -8.106 -0.611) 8.131 2.621 ( -0.507 -0.479 -0.148) 0.713 2.850 ( 0.242 -4.207 0.382) 4.232 3.008 ( 1.172 -8.934 3.193) 9.559 3.102 ( 1.659 0.121 2.402) 2.921 3.227 ( 1.857 -2.045 5.526) 6.178 3.387 ( -4.277 3.072 -8.730) 10.195 3.797 ( -1.399 -9.086 -2.463) 9.517 3.921 ( 0.401 -6.919 0.595) 6.956 4.044 ( 0.504 2.888 -0.913) 3.070 4.363 ( 1.222 -6.991 -1.050) 7.174 4.418 ( 0.024 1.066 -0.531) 1.192 4.577 ( -0.507 -0.944 -2.249) 2.491 4.832 ( 0.091 -3.141 1.603) 3.527 5.166 ( 0.299 -0.889 -0.823) 1.248 5.278 ( -3.939 2.758 0.102) 4.810 5.354 ( -0.028 0.208 -1.597) 1.611 5.656 ( 5.830 -3.711 1.668) 7.109 5.827 ( 0.684 -6.737 3.579) 7.660 5.983 ( -2.226 5.240 0.153) 5.696 6.045 ( 0.519 3.273 1.488) 3.633 6.188 ( -0.143 -1.653 -1.713) 2.385 6.300 ( 0.673 8.968 1.431) 9.107 6.416 ( -1.789 -0.564 -0.509) 1.943 6.450 ( 1.378 1.354 0.240) 1.947 6.683 ( 0.125 -2.950 -0.186) 2.959 6.945 ( -0.973 -2.565 -0.813) 2.862 7.043 ( 0.564 -2.515 -0.975) 2.755 7.435 ( 0.209 -0.362 -1.075) 1.153 7.833 ( -1.448 4.449 1.523) 4.920 ======================= Grid point 483 (230/324) ======================= q-point: (-0.14 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -0.329 -3.069 0.251) 3.097 2.615 ( 1.190 0.697 -0.440) 1.447 2.847 ( -0.833 3.237 -2.634) 4.256 3.005 ( -3.702 7.221 -2.121) 8.388 3.091 ( 5.234 4.085 2.259) 7.013 3.188 ( -2.112 2.934 0.089) 3.617 3.528 ( 0.503 -13.870 4.091) 14.469 3.902 ( -0.020 -2.393 0.828) 2.533 3.981 ( 0.316 2.666 -3.386) 4.322 3.990 ( -0.336 -0.186 -0.650) 0.755 4.401 ( 1.196 -1.223 -0.030) 1.711 4.497 ( 0.133 -3.658 0.233) 3.668 4.599 ( 0.128 -1.903 -0.813) 2.073 4.853 ( 1.609 1.701 1.833) 2.973 5.180 ( 0.388 -0.304 -0.357) 0.609 5.243 ( -5.285 -2.045 -0.264) 5.673 5.299 ( -0.409 4.116 -3.236) 5.252 5.714 ( 5.206 0.560 2.243) 5.696 5.853 ( -0.346 5.725 1.789) 6.009 5.989 ( -0.414 -6.549 1.729) 6.786 6.039 ( -1.294 7.079 -1.101) 7.280 6.078 ( -0.341 -2.681 -2.907) 3.969 6.301 ( 0.974 -3.355 0.629) 3.549 6.369 ( -1.905 3.212 0.819) 3.823 6.452 ( 2.304 0.865 0.191) 2.468 6.731 ( -1.841 -2.682 -0.107) 3.255 6.981 ( 0.517 -1.223 -0.009) 1.327 7.094 ( -0.410 -2.976 0.164) 3.008 7.457 ( 0.439 -1.697 -0.684) 1.881 7.732 ( -0.347 5.786 0.757) 5.846 ======================= Grid point 484 (231/324) ======================= q-point: (-0.07 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -1.494 4.173 0.593) 4.472 2.576 ( 2.325 6.945 -0.318) 7.331 2.746 ( -1.348 3.266 -3.460) 4.945 2.822 ( -1.358 9.928 1.665) 10.157 2.991 ( 2.607 7.684 -1.349) 8.226 3.151 ( -1.366 0.588 0.130) 1.493 3.768 ( 2.097 -7.591 3.662) 8.685 3.868 ( 0.463 5.993 1.999) 6.335 3.939 ( -0.574 2.636 0.586) 2.761 3.956 ( -1.791 0.368 -4.617) 4.966 4.414 ( 0.875 4.619 -0.538) 4.732 4.497 ( -0.335 -0.059 0.656) 0.739 4.652 ( 0.510 -2.707 0.417) 2.786 4.809 ( 3.093 3.993 0.931) 5.136 5.180 ( 1.061 0.599 -0.090) 1.222 5.216 ( 0.204 3.147 -2.643) 4.115 5.290 ( -6.750 -5.069 -0.361) 8.449 5.711 ( 2.824 2.563 -1.024) 3.949 5.771 ( 1.438 3.488 4.372) 5.775 5.847 ( -1.889 6.762 -3.389) 7.796 6.102 ( -0.574 -4.421 1.418) 4.678 6.217 ( -1.462 -7.636 -1.851) 7.992 6.293 ( -0.360 2.630 2.692) 3.781 6.353 ( -0.421 -0.613 -1.393) 1.579 6.455 ( 3.673 -0.707 0.563) 3.782 6.767 ( -3.362 -2.572 0.001) 4.233 6.992 ( 0.791 0.428 0.574) 1.067 7.141 ( -2.725 -2.117 -0.032) 3.451 7.487 ( 0.142 -1.439 -0.545) 1.545 7.637 ( 3.668 4.559 0.584) 5.880 ======================= Grid point 491 (232/324) ======================= q-point: ( 0.43 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 8.703 0.000 -8.845) 12.409 1.366 ( 3.018 0.000 7.004) 7.627 1.529 ( -2.184 -0.000 -22.629) 22.734 1.968 ( 0.332 0.000 11.175) 11.180 2.017 ( -11.131 -0.000 -0.073) 11.131 2.451 ( 6.582 0.000 13.690) 15.191 3.158 ( -4.079 -0.000 -7.072) 8.164 3.232 ( -1.671 -0.000 -8.016) 8.188 3.263 ( -1.796 -0.000 -7.013) 7.239 3.397 ( 1.477 0.000 12.508) 12.595 3.969 ( 0.750 0.000 -5.584) 5.634 4.298 ( -0.466 -0.000 -0.917) 1.029 4.488 ( 1.889 0.000 3.259) 3.766 4.675 ( -0.018 -0.000 -0.444) 0.445 4.934 ( 0.423 0.000 1.945) 1.990 5.025 ( 0.411 0.000 0.531) 0.672 5.060 ( 1.352 0.000 6.196) 6.342 5.473 ( 1.644 0.000 -0.753) 1.808 5.725 ( 6.257 0.000 4.253) 7.566 5.977 ( -6.686 -0.000 -4.125) 7.856 6.175 ( 0.534 0.000 -0.128) 0.549 6.304 ( -6.108 -0.000 -3.456) 7.018 6.355 ( -0.703 -0.000 -0.250) 0.747 6.590 ( -2.176 -0.000 3.075) 3.767 6.715 ( -1.858 -0.000 -5.555) 5.858 6.905 ( -1.556 -0.000 -1.146) 1.932 7.063 ( 1.273 0.000 -2.698) 2.983 7.361 ( -0.773 -0.000 1.165) 1.398 7.742 ( 7.327 0.000 0.690) 7.359 8.144 ( -1.254 -0.000 -4.096) 4.284 ======================= Grid point 492 (233/324) ======================= q-point: (-0.50 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -1.125 1.094 0.198) 1.582 1.419 ( -1.312 -2.422 -10.443) 10.800 1.613 ( -0.956 -20.387 -14.300) 24.921 1.999 ( 1.556 -3.190 16.887) 17.256 2.180 ( -3.144 -15.610 -0.131) 15.924 2.617 ( 6.275 -8.825 13.894) 17.615 3.091 ( -4.151 0.774 -8.150) 9.179 3.194 ( -1.136 -1.039 -10.059) 10.176 3.314 ( -0.784 -3.840 -6.431) 7.531 3.458 ( -0.826 -3.791 12.877) 13.449 3.948 ( 0.702 0.748 -6.357) 6.439 4.370 ( 0.327 -6.881 0.131) 6.890 4.517 ( 1.663 -1.416 3.353) 4.002 4.662 ( -0.498 1.232 -0.400) 1.388 4.965 ( 1.125 -2.526 0.781) 2.874 5.016 ( -0.810 0.470 -0.209) 0.959 5.113 ( 1.288 -2.352 5.798) 6.389 5.479 ( 2.164 -0.270 -2.343) 3.201 5.776 ( 6.282 -0.898 5.125) 8.157 5.934 ( -5.189 0.171 -3.338) 6.172 6.110 ( -3.019 6.100 -3.337) 7.580 6.260 ( -0.315 -0.531 -1.027) 1.198 6.390 ( -3.414 -1.850 4.363) 5.841 6.595 ( -2.781 -0.738 0.106) 2.879 6.686 ( -0.923 0.126 -5.406) 5.486 6.888 ( -1.936 0.211 -2.804) 3.414 7.015 ( 2.641 5.486 -0.403) 6.102 7.311 ( 0.331 5.045 0.775) 5.115 7.762 ( 5.976 1.579 0.413) 6.195 8.091 ( -2.317 3.175 -3.682) 5.386 ======================= Grid point 493 (234/324) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -4.992 -2.040 -0.065) 5.393 1.483 ( -7.505 -12.064 -10.550) 17.696 2.079 ( -0.227 -28.713 -7.675) 29.722 2.157 ( 4.918 -6.617 16.772) 18.688 2.500 ( 1.307 -16.985 -1.393) 17.092 2.832 ( 5.094 -5.938 13.912) 15.961 3.072 ( -2.955 -2.974 -5.650) 7.035 3.223 ( -0.479 -3.791 -9.161) 9.926 3.390 ( -1.061 -8.257 -0.549) 8.343 3.589 ( -1.735 -7.292 5.077) 9.053 3.930 ( 0.510 -0.911 -6.522) 6.605 4.485 ( 1.149 -2.926 0.795) 3.243 4.602 ( 0.851 -5.794 4.483) 7.375 4.626 ( -1.383 1.255 -0.384) 1.907 4.979 ( -1.372 0.302 -4.195) 4.424 5.060 ( 1.098 -4.673 0.610) 4.839 5.172 ( 1.327 -2.249 2.607) 3.690 5.490 ( 3.151 -0.173 -3.657) 4.830 5.819 ( 2.142 1.144 2.680) 3.617 5.909 ( -5.279 0.079 -2.990) 6.067 5.999 ( 0.937 0.590 -0.256) 1.136 6.284 ( 1.833 -0.735 3.952) 4.418 6.394 ( -4.365 1.204 8.741) 9.844 6.579 ( -1.673 0.598 -3.248) 3.702 6.689 ( -0.271 -1.439 -4.789) 5.008 6.869 ( -2.319 -0.286 -5.155) 5.660 6.898 ( 2.287 7.238 1.168) 7.680 7.191 ( 1.207 8.102 0.402) 8.201 7.730 ( 3.340 4.247 -1.965) 5.749 8.010 ( -2.448 2.983 -0.832) 3.948 ======================= Grid point 494 (235/324) ======================= q-point: (-0.36 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -5.046 -8.196 -2.030) 9.836 1.749 ( -6.759 -20.710 -2.625) 21.943 2.355 ( 4.833 -7.373 13.512) 16.134 2.579 ( -0.468 -24.327 -4.750) 24.791 2.747 ( 3.596 -8.899 -8.337) 12.713 2.976 ( 2.578 -5.176 11.099) 12.515 3.165 ( 0.355 -6.559 4.755) 8.109 3.280 ( -1.064 -6.886 -3.814) 7.944 3.552 ( -4.085 -6.864 -11.377) 13.900 3.746 ( 0.595 -9.700 7.457) 12.249 3.982 ( 0.845 -6.101 -4.901) 7.871 4.513 ( 0.154 -0.320 0.443) 0.568 4.592 ( -1.049 0.561 -0.208) 1.208 4.696 ( -0.313 -0.140 2.372) 2.397 4.997 ( -1.478 -4.880 -1.972) 5.467 5.139 ( -1.730 -3.601 -0.502) 4.027 5.259 ( 4.987 -5.949 -2.404) 8.127 5.478 ( 1.885 2.140 -3.708) 4.678 5.769 ( 0.066 3.476 0.834) 3.576 5.888 ( -3.457 -1.962 -0.436) 3.999 6.091 ( 2.229 -6.182 2.162) 6.918 6.320 ( 4.070 0.253 7.949) 8.934 6.353 ( -3.289 3.599 8.810) 10.069 6.559 ( 0.309 -0.304 -4.382) 4.403 6.651 ( -2.367 4.719 -4.064) 6.662 6.798 ( 1.577 2.950 0.020) 3.345 6.879 ( -1.991 -2.570 -4.015) 5.167 7.028 ( 1.277 9.371 -0.823) 9.494 7.631 ( 0.745 5.990 -3.511) 6.983 7.961 ( -2.246 1.336 1.725) 3.132 ======================= Grid point 495 (236/324) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -2.166 -11.436 -1.339) 11.716 2.147 ( -4.730 -23.703 1.748) 24.233 2.525 ( 2.149 -5.186 8.883) 10.508 2.812 ( 3.586 -4.453 -7.355) 9.316 2.951 ( 0.167 -10.492 -2.969) 10.905 3.146 ( 4.783 -6.987 12.488) 15.088 3.296 ( -1.233 -9.804 0.611) 9.900 3.492 ( -0.736 -12.820 -0.309) 12.845 3.532 ( -5.483 0.122 -13.377) 14.458 3.962 ( 1.180 -8.865 5.800) 10.659 4.108 ( 1.338 -6.652 -3.817) 7.785 4.506 ( -1.071 0.975 0.087) 1.451 4.614 ( 0.470 -2.598 0.806) 2.760 4.642 ( -1.404 2.790 -2.744) 4.157 5.093 ( -2.738 -4.365 2.927) 5.926 5.209 ( -1.079 -5.540 -2.308) 6.098 5.395 ( 2.640 -2.028 -4.491) 5.590 5.435 ( 4.195 -2.133 -1.563) 4.959 5.723 ( 1.381 1.794 1.831) 2.911 5.943 ( -3.074 -4.652 2.222) 6.002 6.210 ( -0.002 -4.327 -0.137) 4.329 6.268 ( -0.609 5.909 5.813) 8.311 6.346 ( 5.086 2.281 8.621) 10.266 6.515 ( -2.980 4.047 -6.382) 8.124 6.584 ( 1.937 -1.247 -0.456) 2.348 6.730 ( 0.224 7.242 0.998) 7.314 6.886 ( 0.295 3.052 -1.687) 3.500 6.929 ( -1.193 -3.559 -3.687) 5.262 7.518 ( -0.085 4.771 -2.681) 5.473 7.933 ( -2.861 1.266 2.059) 3.745 ======================= Grid point 496 (237/324) ======================= q-point: (-0.21 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.569 -11.037 -0.271) 11.055 2.561 ( -0.412 -16.946 0.915) 16.975 2.614 ( -3.887 -6.173 5.189) 8.952 2.897 ( 4.514 -4.583 -3.977) 7.563 3.068 ( -0.372 -3.912 0.395) 3.949 3.263 ( 5.068 -0.373 12.063) 13.089 3.407 ( -6.123 3.701 -13.950) 15.678 3.554 ( -0.888 -14.913 -1.529) 15.017 3.746 ( 0.069 -11.731 1.169) 11.790 4.072 ( 0.174 -0.955 1.363) 1.673 4.227 ( 2.110 -7.080 -2.137) 7.691 4.465 ( -0.469 2.960 0.087) 2.998 4.568 ( -0.118 1.275 -2.225) 2.568 4.730 ( -0.841 -6.699 0.804) 6.799 5.140 ( -1.899 -1.864 1.068) 2.867 5.301 ( -0.856 -3.463 -1.554) 3.891 5.333 ( -1.897 2.923 -0.845) 3.586 5.588 ( 7.722 -6.940 -2.191) 10.611 5.742 ( 1.769 -2.667 2.632) 4.143 6.011 ( -4.504 -2.153 2.874) 5.760 6.165 ( 0.942 6.323 3.869) 7.473 6.192 ( 1.405 4.277 -1.193) 4.657 6.368 ( -0.154 -2.576 -0.095) 2.582 6.456 ( -0.851 1.942 -0.792) 2.264 6.527 ( -0.322 9.712 1.002) 9.769 6.646 ( 3.650 -1.201 -0.530) 3.879 6.883 ( -1.839 -2.433 -0.548) 3.099 6.990 ( 0.738 -3.389 -1.895) 3.953 7.448 ( 0.154 2.045 -1.309) 2.433 7.889 ( -3.485 2.390 1.459) 4.471 ======================= Grid point 497 (238/324) ======================= q-point: (-0.14 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 1.429 -7.939 0.296) 8.072 2.613 ( -1.181 -0.415 0.212) 1.270 2.840 ( -1.266 -5.110 -2.333) 5.758 3.020 ( -0.327 -5.549 0.595) 5.590 3.121 ( 0.429 -1.762 0.587) 1.906 3.262 ( -0.148 2.754 -0.131) 2.761 3.334 ( 0.254 -2.704 0.942) 2.874 3.784 ( -0.029 -9.431 0.172) 9.432 3.925 ( -0.125 -6.635 0.096) 6.637 4.044 ( 0.776 3.071 -1.158) 3.372 4.368 ( 1.077 -5.699 -1.570) 6.008 4.425 ( 1.357 -0.358 0.765) 1.599 4.570 ( 0.520 -1.156 -0.233) 1.289 4.830 ( -1.612 -3.871 0.277) 4.203 5.165 ( -0.441 -1.312 -0.110) 1.389 5.241 ( -2.834 3.294 -0.479) 4.372 5.341 ( -0.750 0.490 -1.474) 1.724 5.724 ( 6.725 -3.497 -0.049) 7.580 5.851 ( 1.038 -7.004 2.276) 7.437 5.962 ( -2.677 4.333 0.462) 5.114 6.050 ( -0.079 4.663 0.606) 4.703 6.184 ( -0.188 1.177 -0.243) 1.216 6.300 ( -0.689 6.944 -0.770) 7.021 6.397 ( -1.298 0.059 -0.316) 1.337 6.471 ( 1.569 0.404 1.311) 2.084 6.685 ( 0.766 -1.488 -0.250) 1.693 6.936 ( -0.554 -3.321 0.282) 3.378 7.047 ( 1.199 -2.533 -0.598) 2.865 7.435 ( 0.564 -0.519 -0.580) 0.961 7.817 ( -3.111 3.800 0.767) 4.971 ======================= Grid point 498 (239/324) ======================= q-point: (-0.07 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -0.084 -2.117 0.416) 2.160 2.624 ( 1.276 -1.117 -0.492) 1.766 2.806 ( -2.957 4.787 -4.995) 7.524 2.974 ( -1.536 6.365 -0.522) 6.568 3.141 ( 2.041 0.507 0.905) 2.290 3.187 ( 0.916 7.330 3.723) 8.272 3.540 ( -0.626 -14.914 0.373) 14.931 3.908 ( 0.165 -3.795 0.980) 3.923 3.964 ( -0.618 2.573 -0.826) 2.772 3.997 ( 1.721 1.893 -0.779) 2.674 4.417 ( 1.683 -1.946 0.578) 2.637 4.502 ( 0.494 -2.436 0.582) 2.552 4.602 ( 0.871 -2.095 0.335) 2.294 4.855 ( -1.048 0.141 -2.253) 2.489 5.172 ( -2.514 -0.553 -0.953) 2.745 5.208 ( -0.681 -0.974 0.751) 1.406 5.285 ( -0.161 4.020 -1.006) 4.147 5.766 ( 3.580 1.256 0.274) 3.804 5.859 ( 0.070 5.353 1.325) 5.515 5.972 ( -3.156 0.535 -1.132) 3.396 6.037 ( -0.182 1.974 2.104) 2.890 6.065 ( 0.568 -4.302 -1.761) 4.683 6.311 ( 1.003 -2.894 -0.334) 3.081 6.362 ( -0.715 2.979 1.097) 3.254 6.474 ( 1.534 0.515 0.638) 1.739 6.711 ( -1.833 -1.747 -0.310) 2.551 6.986 ( 0.552 -1.643 0.135) 1.738 7.093 ( -0.097 -2.061 0.315) 2.088 7.458 ( 0.429 -1.495 -0.732) 1.719 7.731 ( -0.583 4.109 0.614) 4.196 ======================= Grid point 506 (240/324) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -0.013 -0.000 -7.331) 7.331 1.314 ( -13.778 -0.000 -9.403) 16.681 1.467 ( 4.540 0.000 -4.925) 6.698 1.945 ( -3.307 -0.000 0.620) 3.365 2.052 ( 3.521 0.000 14.162) 14.593 2.583 ( 6.053 0.000 13.338) 14.647 3.070 ( -2.549 -0.000 -12.924) 13.172 3.163 ( -3.296 -0.000 -9.357) 9.921 3.215 ( -0.172 -0.000 -7.579) 7.581 3.479 ( -0.315 -0.000 16.127) 16.130 3.947 ( 1.303 0.000 -6.894) 7.016 4.290 ( -0.372 -0.000 -0.678) 0.773 4.523 ( 1.889 0.000 2.820) 3.394 4.673 ( 0.067 0.000 -0.466) 0.470 4.948 ( 0.495 0.000 1.846) 1.911 5.029 ( -0.018 -0.000 0.310) 0.311 5.111 ( 1.462 0.000 8.256) 8.385 5.471 ( -0.200 -0.000 -2.681) 2.688 5.824 ( 8.543 0.000 5.891) 10.377 5.904 ( -4.357 -0.000 -3.504) 5.592 6.177 ( -0.082 -0.000 -0.113) 0.139 6.220 ( -5.859 -0.000 -7.164) 9.255 6.350 ( -0.031 -0.000 -0.217) 0.219 6.579 ( -3.709 -0.000 3.236) 4.922 6.667 ( -2.334 -0.000 -4.301) 4.894 6.882 ( 0.055 0.000 -2.419) 2.420 7.084 ( 2.730 0.000 0.536) 2.782 7.363 ( 0.784 0.000 -0.239) 0.820 7.809 ( 5.491 0.000 1.422) 5.672 8.097 ( -3.825 -0.000 -4.526) 5.925 ======================= Grid point 507 (241/324) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -11.536 -3.086 -4.603) 12.798 1.334 ( -9.556 3.664 -2.239) 10.476 1.548 ( 0.935 -21.636 -10.628) 24.124 2.134 ( 8.649 -6.186 15.528) 18.820 2.164 ( -0.844 -14.793 1.109) 14.858 2.746 ( 5.635 -9.025 13.298) 17.030 3.008 ( -2.523 0.482 -10.516) 10.825 3.124 ( -1.684 -1.755 -11.654) 11.905 3.267 ( -1.733 -5.087 -6.517) 8.447 3.526 ( -0.030 -1.555 14.621) 14.703 3.920 ( 0.863 1.051 -7.461) 7.584 4.373 ( 0.400 -7.765 -0.065) 7.775 4.547 ( 1.178 -1.189 2.458) 2.974 4.658 ( -0.071 1.508 -0.258) 1.532 4.980 ( 1.123 -1.849 0.804) 2.308 5.008 ( -0.825 0.921 -0.234) 1.258 5.157 ( 0.861 -1.321 6.907) 7.084 5.476 ( 0.603 -1.338 -4.177) 4.428 5.871 ( 4.902 0.261 5.397) 7.296 5.875 ( -1.224 0.702 -2.264) 2.667 6.056 ( -3.392 5.882 -5.517) 8.749 6.257 ( 0.370 -3.429 -0.572) 3.496 6.384 ( -2.074 -2.151 3.422) 4.543 6.569 ( -3.470 -0.172 0.632) 3.531 6.650 ( -1.111 -0.393 -3.258) 3.465 6.867 ( 0.799 1.148 -2.414) 2.790 7.039 ( 1.497 5.709 0.247) 5.907 7.322 ( 1.689 4.721 -0.296) 5.023 7.810 ( 3.502 2.670 -0.155) 4.406 8.040 ( -4.446 2.329 -2.850) 5.772 ======================= Grid point 508 (242/324) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -8.575 -1.755 2.574) 9.123 1.357 ( -9.994 -14.753 -4.648) 18.416 2.036 ( -0.883 -29.658 -6.199) 30.312 2.294 ( 6.544 -5.715 12.614) 15.317 2.512 ( 2.570 -16.384 -0.904) 16.609 2.916 ( -0.099 -2.968 5.576) 6.318 3.046 ( 2.974 -6.875 -1.214) 7.588 3.178 ( -0.958 -6.510 -4.760) 8.121 3.344 ( -3.295 -7.352 -7.361) 10.913 3.626 ( 0.569 -5.430 10.001) 11.394 3.900 ( 0.607 -1.292 -7.310) 7.448 4.494 ( 0.321 -2.744 0.152) 2.767 4.615 ( -0.896 -0.047 0.544) 1.049 4.634 ( 1.305 -4.504 3.214) 5.685 4.952 ( -0.784 1.541 -2.187) 2.788 5.066 ( 0.028 -3.943 -0.579) 3.986 5.196 ( 1.195 -2.020 1.935) 3.041 5.494 ( 2.052 -0.687 -4.625) 5.106 5.847 ( -2.451 3.192 0.746) 4.093 5.853 ( 0.343 1.160 -0.762) 1.430 6.013 ( 1.828 -2.939 -0.238) 3.469 6.331 ( 3.437 -2.895 3.936) 5.974 6.400 ( -3.709 0.618 8.613) 9.398 6.551 ( -0.638 0.668 -3.595) 3.711 6.659 ( -1.375 -1.453 -3.187) 3.763 6.836 ( -0.175 1.477 -3.029) 3.375 6.914 ( 0.405 6.784 0.060) 6.796 7.208 ( 2.354 8.190 -0.319) 8.528 7.736 ( 0.547 5.523 -3.141) 6.377 7.976 ( -4.333 1.659 0.576) 4.675 ======================= Grid point 509 (243/324) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -4.533 -9.264 1.555) 10.430 1.680 ( -6.878 -22.862 1.470) 23.919 2.465 ( 4.946 -5.769 10.367) 12.854 2.557 ( 0.210 -25.481 -2.919) 25.649 2.731 ( 3.118 -7.800 -10.691) 13.596 2.993 ( -4.701 -6.543 2.949) 8.579 3.239 ( 4.459 -11.313 3.382) 12.622 3.266 ( 0.614 -2.741 6.559) 7.135 3.442 ( -4.896 -4.998 -12.755) 14.548 3.797 ( 1.362 -9.963 7.556) 12.578 3.961 ( 0.734 -6.712 -5.872) 8.948 4.510 ( -0.965 0.109 -0.081) 0.975 4.588 ( 0.014 0.496 0.901) 1.029 4.708 ( 0.390 1.818 2.017) 2.743 4.976 ( -1.653 -5.967 -0.633) 6.225 5.114 ( -2.127 -2.914 -1.476) 3.898 5.293 ( 4.793 -6.526 -2.602) 8.505 5.479 ( 2.155 2.344 -3.457) 4.700 5.783 ( 1.517 3.062 1.312) 3.660 5.862 ( -2.456 -2.611 1.444) 3.864 6.108 ( 0.545 -5.581 -0.402) 5.622 6.368 ( -2.513 3.172 7.790) 8.778 6.411 ( 5.435 -0.734 8.097) 9.779 6.532 ( 0.389 -0.104 -7.473) 7.484 6.618 ( -1.593 4.384 -0.897) 4.750 6.795 ( -1.254 1.897 -2.153) 3.132 6.855 ( -0.101 -1.352 -0.882) 1.617 7.042 ( 2.514 10.134 -0.719) 10.466 7.613 ( -0.706 6.013 -3.313) 6.901 7.937 ( -4.797 0.783 1.690) 5.146 ======================= Grid point 510 (244/324) ======================= q-point: (-0.21 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.409 -12.448 1.759) 12.578 2.117 ( -4.051 -24.865 3.283) 25.406 2.580 ( 1.101 -2.183 6.076) 6.550 2.805 ( 3.638 -5.862 -8.243) 10.749 2.948 ( 1.241 -10.490 -0.994) 10.610 3.167 ( -5.240 -14.633 -2.464) 15.737 3.335 ( 1.603 -3.304 6.451) 7.423 3.418 ( -2.415 1.177 -6.116) 6.680 3.505 ( 1.093 -13.694 1.511) 13.820 3.999 ( 0.954 -7.624 4.439) 8.873 4.096 ( 0.952 -7.596 -5.037) 9.164 4.494 ( -1.535 0.642 0.241) 1.681 4.618 ( -0.686 -0.313 -0.513) 0.912 4.633 ( 1.156 1.577 1.017) 2.204 5.079 ( -3.186 -4.133 3.035) 6.037 5.186 ( -1.077 -6.219 -2.815) 6.911 5.395 ( 2.405 2.180 -3.523) 4.790 5.474 ( 5.135 -6.171 -1.708) 8.208 5.754 ( 3.209 1.366 1.644) 3.855 5.927 ( -2.957 -4.455 2.960) 6.112 6.205 ( -0.518 -4.295 -0.821) 4.403 6.289 ( -0.543 5.713 4.275) 7.156 6.415 ( 0.783 6.952 -0.409) 7.008 6.461 ( -0.878 0.413 -0.835) 1.280 6.609 ( 3.730 -1.099 0.343) 3.904 6.732 ( -0.470 5.102 0.257) 5.130 6.877 ( -0.741 3.898 -1.530) 4.252 6.920 ( 2.012 -2.709 -0.468) 3.407 7.504 ( -0.300 4.245 -1.843) 4.637 7.901 ( -5.645 0.974 1.234) 5.860 ======================= Grid point 511 (245/324) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 2.059 -11.322 1.537) 11.610 2.556 ( -2.313 -21.363 1.649) 21.551 2.603 ( -1.895 -0.118 2.093) 2.826 2.913 ( 3.494 -5.385 -4.405) 7.785 3.065 ( -1.332 -4.071 0.449) 4.307 3.242 ( -5.834 -0.068 -14.310) 15.453 3.401 ( 4.021 2.126 11.879) 12.720 3.555 ( 0.578 -14.855 1.934) 14.991 3.750 ( -0.111 -11.408 0.419) 11.416 4.078 ( 0.348 -0.098 0.153) 0.393 4.232 ( 1.648 -7.746 -2.953) 8.452 4.464 ( -0.302 2.401 0.686) 2.515 4.566 ( 0.841 0.687 0.103) 1.090 4.726 ( -1.505 -5.758 1.273) 6.086 5.127 ( -1.870 -2.222 1.534) 3.285 5.276 ( -2.080 -2.717 -2.300) 4.123 5.327 ( 1.215 2.832 -0.774) 3.178 5.639 ( 5.608 -7.648 -2.994) 9.945 5.780 ( 3.781 -2.024 2.004) 4.734 5.982 ( -4.307 -1.112 2.331) 5.022 6.184 ( -0.361 6.836 2.733) 7.371 6.205 ( 2.059 3.295 -0.660) 3.941 6.336 ( -2.869 -1.887 -4.745) 5.858 6.446 ( -1.415 2.891 0.264) 3.230 6.534 ( -0.316 7.350 1.686) 7.547 6.691 ( 5.697 0.692 0.004) 5.739 6.869 ( -1.384 -2.937 1.249) 3.479 6.996 ( 2.143 -3.582 -0.703) 4.233 7.446 ( 0.474 1.658 -0.479) 1.790 7.849 ( -5.880 1.832 0.462) 6.176 ======================= Grid point 512 (246/324) ======================= q-point: (-0.07 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 2.259 -7.188 0.938) 7.593 2.601 ( -1.923 -0.704 0.916) 2.243 2.805 ( -1.484 -4.361 -5.245) 6.981 3.011 ( -0.692 -2.427 -1.974) 3.204 3.119 ( -1.482 -2.750 1.002) 3.280 3.229 ( -1.035 -6.918 -6.225) 9.364 3.389 ( 2.964 3.446 8.913) 10.005 3.795 ( 0.762 -9.030 2.358) 9.363 3.919 ( -0.991 -6.258 -0.204) 6.339 4.050 ( 1.927 2.480 -1.063) 3.316 4.369 ( 0.933 -5.594 -1.519) 5.871 4.446 ( 1.631 -1.340 1.262) 2.459 4.583 ( 1.303 -1.033 1.570) 2.287 4.804 ( -3.427 -3.395 -0.853) 4.899 5.157 ( -0.992 -0.870 0.794) 1.540 5.225 ( 0.226 2.900 -1.388) 3.223 5.328 ( -0.629 0.456 -0.824) 1.132 5.769 ( 3.902 -3.566 -3.087) 6.121 5.875 ( 2.158 -5.518 1.834) 6.202 5.933 ( -3.523 2.608 -0.418) 4.403 6.058 ( 1.127 5.762 1.069) 5.968 6.175 ( -2.066 4.413 0.855) 4.947 6.291 ( 0.233 2.500 -1.254) 2.807 6.385 ( -0.988 0.050 -0.623) 1.169 6.486 ( -0.188 0.473 1.443) 1.530 6.696 ( 1.821 0.480 -0.143) 1.889 6.938 ( 0.229 -3.535 1.296) 3.772 7.061 ( 2.096 -2.216 -0.132) 3.053 7.439 ( 0.832 -0.443 -0.173) 0.959 7.782 ( -4.538 2.477 0.073) 5.170 ======================= Grid point 521 (247/324) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -15.931 -0.000 -8.472) 18.043 1.184 ( -10.724 -0.000 -5.489) 12.047 1.443 ( -7.642 -0.000 -0.860) 7.690 1.968 ( 6.456 0.000 1.849) 6.716 2.186 ( 9.405 0.000 13.620) 16.552 2.697 ( 4.490 0.000 10.524) 11.442 2.990 ( 0.261 0.000 -13.300) 13.303 3.077 ( -4.405 -0.000 -8.947) 9.973 3.179 ( -0.324 -0.000 -5.715) 5.724 3.560 ( 0.405 0.000 15.209) 15.214 3.920 ( 1.134 0.000 -8.229) 8.307 4.284 ( -0.217 -0.000 -0.325) 0.391 4.549 ( 1.084 0.000 1.405) 1.775 4.671 ( 0.064 0.000 -0.435) 0.440 4.961 ( 0.395 0.000 1.304) 1.362 5.028 ( -0.340 -0.000 0.173) 0.381 5.171 ( 1.503 0.000 9.578) 9.696 5.442 ( -1.487 -0.000 -5.040) 5.255 5.851 ( -3.244 -0.000 -1.389) 3.529 5.948 ( 9.668 0.000 6.410) 11.600 6.118 ( -5.641 -0.000 -11.089) 12.441 6.173 ( -0.648 -0.000 -0.049) 0.649 6.352 ( 0.620 0.000 -0.161) 0.640 6.548 ( -6.188 -0.000 3.196) 6.964 6.648 ( 1.360 0.000 0.027) 1.361 6.884 ( 2.445 0.000 -1.671) 2.962 7.102 ( 0.585 0.000 -0.422) 0.721 7.375 ( 2.285 0.000 -0.855) 2.440 7.851 ( 2.143 0.000 -0.824) 2.296 8.035 ( -4.588 -0.000 -2.181) 5.080 ======================= Grid point 522 (248/324) ======================= q-point: (-0.36 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -14.606 -6.393 -1.249) 15.992 1.201 ( -16.823 0.027 0.482) 16.830 1.502 ( -3.467 -20.031 -5.288) 21.005 2.179 ( 3.449 -13.650 1.621) 14.172 2.308 ( 12.251 -5.013 11.157) 17.312 2.855 ( 4.089 -10.173 10.298) 15.042 2.940 ( -1.016 0.392 -9.136) 9.201 3.044 ( -2.221 -1.999 -10.995) 11.394 3.221 ( -1.858 -4.519 -4.008) 6.319 3.606 ( 1.463 -0.943 13.376) 13.489 3.886 ( 0.484 1.168 -8.540) 8.633 4.377 ( 0.594 -8.260 -0.301) 8.287 4.562 ( 0.179 -1.053 0.839) 1.358 4.659 ( 0.392 1.298 0.007) 1.356 4.994 ( 0.906 -1.511 0.826) 1.946 4.999 ( -0.661 1.140 -0.468) 1.398 5.198 ( 0.321 0.447 6.634) 6.657 5.448 ( -0.797 -2.515 -5.665) 6.249 5.832 ( -3.120 0.145 -0.504) 3.164 5.962 ( 2.694 5.608 1.217) 6.339 6.002 ( 1.694 1.162 -3.359) 3.937 6.259 ( 0.716 -5.912 -0.522) 5.978 6.390 ( -0.073 -2.430 3.240) 4.051 6.528 ( -5.633 -0.551 1.223) 5.791 6.650 ( 2.521 0.997 0.541) 2.765 6.875 ( 2.469 1.884 -1.184) 3.324 7.038 ( -1.161 5.872 -1.268) 6.118 7.341 ( 3.038 4.561 -0.650) 5.519 7.814 ( -1.024 3.475 -4.047) 5.432 7.990 ( -4.365 1.986 1.123) 4.926 ======================= Grid point 523 (249/324) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -11.104 -4.451 4.778) 12.882 1.257 ( -9.268 -17.483 2.398) 19.932 1.993 ( -3.523 -31.055 -3.402) 31.439 2.398 ( 4.972 -7.307 6.928) 11.230 2.545 ( 6.210 -10.917 -3.146) 12.947 2.907 ( -2.288 -1.189 0.049) 2.579 3.075 ( 2.252 -6.140 -3.858) 7.593 3.172 ( 0.727 -14.559 2.510) 14.792 3.278 ( -2.631 -3.430 -3.599) 5.625 3.691 ( 1.829 -4.211 9.989) 10.993 3.865 ( 0.332 -1.866 -8.054) 8.274 4.492 ( -0.417 -2.230 -0.613) 2.350 4.613 ( -0.171 -0.054 0.868) 0.886 4.660 ( 1.395 -5.294 1.734) 5.743 4.941 ( -0.142 2.740 -0.411) 2.774 5.055 ( -1.094 -2.661 -1.423) 3.210 5.214 ( 1.205 -2.512 0.820) 2.904 5.481 ( 0.534 -1.877 -5.417) 5.757 5.816 ( -3.298 0.096 2.827) 4.344 5.877 ( 2.844 3.551 -0.447) 4.572 6.028 ( 1.983 -2.431 -1.095) 3.323 6.380 ( 3.529 -5.380 0.648) 6.467 6.416 ( -2.252 0.955 8.842) 9.174 6.531 ( -0.131 -0.830 -1.460) 1.684 6.637 ( -0.354 0.701 -1.525) 1.715 6.832 ( 1.231 3.375 -0.471) 3.623 6.906 ( -1.485 5.597 -1.156) 5.905 7.232 ( 3.355 8.313 -0.676) 8.990 7.706 ( -2.495 5.355 -4.728) 7.567 7.936 ( -5.596 1.612 2.435) 6.312 ======================= Grid point 524 (250/324) ======================= q-point: (-0.21 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -4.246 -11.428 4.669) 13.055 1.639 ( -4.976 -24.235 5.008) 25.242 2.531 ( -1.136 -19.291 0.906) 19.346 2.566 ( 3.354 -12.446 5.026) 13.835 2.700 ( 3.825 -7.333 -12.745) 15.193 2.950 ( -5.354 -4.802 0.441) 7.205 3.248 ( 0.654 -11.137 0.032) 11.156 3.302 ( -3.565 -2.493 -7.592) 8.750 3.401 ( 4.041 -6.051 9.263) 11.779 3.843 ( 1.029 -9.226 5.363) 10.721 3.937 ( 0.702 -7.054 -5.812) 9.167 4.496 ( -1.601 0.394 -0.547) 1.737 4.600 ( 0.587 0.219 1.980) 2.077 4.722 ( 0.711 3.162 0.658) 3.307 4.959 ( -1.768 -6.385 0.250) 6.630 5.089 ( -1.389 -2.813 -1.321) 3.403 5.323 ( 4.137 -6.834 -2.610) 8.405 5.481 ( 1.845 1.194 -3.228) 3.905 5.807 ( 0.538 1.561 3.624) 3.983 5.862 ( 1.185 -1.272 1.531) 2.316 6.100 ( -0.670 -5.046 -2.327) 5.597 6.383 ( -1.550 3.135 4.912) 6.030 6.464 ( -0.588 -0.156 -2.996) 3.057 6.522 ( 3.984 2.804 1.446) 5.082 6.616 ( 1.027 -0.055 2.040) 2.284 6.767 ( -1.417 2.360 -2.514) 3.728 6.858 ( -0.034 -0.600 1.108) 1.260 7.068 ( 3.702 10.185 -0.516) 10.849 7.585 ( -1.683 5.057 -3.030) 6.130 7.888 ( -7.155 0.915 1.679) 7.406 ======================= Grid point 525 (251/324) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.209 -13.532 3.967) 14.104 2.105 ( -2.590 -25.048 4.034) 25.503 2.604 ( -0.414 -0.124 1.720) 1.773 2.802 ( 4.116 -7.087 -6.829) 10.668 2.962 ( 0.902 -7.827 1.302) 7.985 3.058 ( -7.943 -13.688 -11.328) 19.462 3.322 ( -1.419 -6.659 -2.820) 7.370 3.445 ( 0.220 -5.237 8.667) 10.128 3.546 ( 4.102 -7.998 5.333) 10.452 4.022 ( 0.428 -6.633 1.620) 6.842 4.077 ( 0.762 -8.356 -4.724) 9.629 4.481 ( -1.498 0.041 0.541) 1.593 4.615 ( 0.601 2.128 -0.059) 2.212 4.649 ( -0.113 -0.195 2.255) 2.266 5.069 ( -1.959 -4.222 2.906) 5.487 5.160 ( -1.147 -5.922 -2.737) 6.624 5.404 ( 2.802 2.390 -3.307) 4.950 5.511 ( 4.238 -6.558 -1.299) 7.916 5.797 ( 3.647 0.816 1.688) 4.101 5.921 ( -1.452 -3.474 2.996) 4.812 6.188 ( -1.436 -5.258 -2.296) 5.915 6.302 ( -0.652 6.036 2.676) 6.634 6.362 ( -3.072 5.665 -7.280) 9.723 6.484 ( 0.562 2.736 2.989) 4.091 6.649 ( 2.847 3.056 0.384) 4.194 6.737 ( 1.612 -0.830 1.649) 2.451 6.861 ( -1.559 2.776 -0.046) 3.184 6.957 ( 5.263 0.249 0.979) 5.359 7.494 ( -0.188 3.362 -0.992) 3.511 7.839 ( -8.185 0.799 0.463) 8.237 ======================= Grid point 526 (252/324) ======================= q-point: (-0.07 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 2.452 -11.442 2.565) 11.980 2.530 ( -4.671 -17.058 1.268) 17.731 2.607 ( 1.364 -2.843 0.133) 3.156 2.921 ( 2.892 -5.251 -4.187) 7.312 3.021 ( -6.777 -3.873 -6.035) 9.866 3.141 ( -0.432 -2.428 -8.316) 8.674 3.499 ( 2.963 1.735 11.775) 12.265 3.581 ( 0.994 -14.755 5.006) 15.613 3.750 ( 0.042 -10.374 0.267) 10.378 4.083 ( 1.141 -0.050 -0.785) 1.386 4.226 ( 0.709 -8.287 -3.868) 9.172 4.468 ( 0.026 1.417 1.460) 2.035 4.582 ( 1.338 0.154 1.838) 2.278 4.712 ( -2.893 -4.290 1.468) 5.379 5.128 ( 0.372 -2.327 2.265) 3.269 5.241 ( -2.543 -2.895 -2.612) 4.655 5.342 ( 2.601 3.322 -1.313) 4.419 5.663 ( 3.056 -7.227 -3.253) 8.494 5.828 ( 4.278 -1.884 0.594) 4.712 5.952 ( -3.727 0.584 1.061) 3.918 6.192 ( -0.992 5.065 2.900) 5.920 6.219 ( 1.567 4.437 -1.062) 4.823 6.281 ( -2.576 -3.373 -5.502) 6.949 6.432 ( -1.495 3.907 0.292) 4.193 6.533 ( -1.494 5.908 0.967) 6.170 6.744 ( 4.717 2.643 0.314) 5.416 6.873 ( 0.032 -3.818 2.842) 4.760 7.025 ( 4.428 -2.948 0.261) 5.326 7.452 ( 0.805 1.308 0.249) 1.556 7.783 ( -7.933 0.972 -0.448) 8.005 ======================= Grid point 536 (253/324) ======================= q-point: (-0.36 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -16.305 -0.000 0.906) 16.330 1.027 ( -16.959 -0.000 -2.778) 17.185 1.319 ( -17.487 -0.000 0.656) 17.500 2.070 ( 11.685 0.000 2.721) 11.998 2.353 ( 12.765 0.000 7.257) 14.683 2.760 ( 0.838 0.000 1.364) 1.601 2.943 ( 2.449 0.000 -8.873) 9.205 3.003 ( -3.470 -0.000 -2.278) 4.151 3.151 ( -0.682 -0.000 -2.603) 2.691 3.644 ( 1.949 0.000 12.906) 13.052 3.880 ( 0.067 0.000 -9.659) 9.659 4.282 ( -0.055 -0.000 0.057) 0.079 4.557 ( 0.019 0.000 -0.441) 0.442 4.670 ( 0.069 0.000 -0.299) 0.307 4.968 ( 0.149 0.000 0.379) 0.407 5.024 ( -0.544 -0.000 0.167) 0.569 5.234 ( 1.543 0.000 8.559) 8.697 5.396 ( -2.107 -0.000 -5.736) 6.111 5.821 ( -2.583 -0.000 0.863) 2.723 5.998 ( -4.667 -0.000 -13.291) 14.087 6.078 ( 8.690 0.000 7.339) 11.375 6.165 ( -0.984 -0.000 0.028) 0.984 6.359 ( 1.048 0.000 -0.073) 1.050 6.508 ( -6.150 -0.000 5.510) 8.257 6.686 ( 4.968 0.000 2.158) 5.417 6.906 ( 3.110 0.000 -0.780) 3.207 7.088 ( -1.897 -0.000 -2.450) 3.099 7.400 ( 3.748 0.000 -0.508) 3.782 7.821 ( -4.289 -0.000 -6.964) 8.178 8.008 ( -1.887 -0.000 3.556) 4.026 ======================= Grid point 537 (254/324) ======================= q-point: (-0.29 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -13.517 -8.514 8.446) 18.070 1.039 ( -18.057 -4.189 2.619) 18.721 1.413 ( -11.547 -22.691 -1.271) 25.492 2.249 ( 8.610 -10.220 2.751) 13.644 2.455 ( 11.147 -3.589 -0.605) 11.726 2.866 ( -3.864 -8.524 -9.411) 13.272 2.930 ( 2.701 -2.019 2.963) 4.489 3.006 ( 1.362 -2.236 1.517) 3.026 3.196 ( -1.205 -4.227 0.202) 4.400 3.689 ( 2.628 -0.677 11.058) 11.386 3.838 ( -0.674 0.956 -9.745) 9.815 4.381 ( 0.889 -8.341 -0.638) 8.412 4.560 ( -0.571 -1.186 -0.847) 1.565 4.664 ( 0.626 0.750 0.207) 0.999 4.989 ( -0.404 -0.548 -1.304) 1.471 5.006 ( 0.463 0.202 1.235) 1.334 5.226 ( -0.357 2.578 3.601) 4.443 5.406 ( -1.698 -3.224 -5.586) 6.669 5.812 ( -2.297 0.170 2.944) 3.738 5.918 ( -2.158 1.369 -6.532) 7.014 6.071 ( 6.007 3.864 3.046) 7.765 6.268 ( 1.786 -7.209 -0.305) 7.434 6.415 ( 1.822 -3.855 2.868) 5.139 6.488 ( -5.582 0.333 4.958) 7.473 6.693 ( 4.998 2.558 1.476) 5.806 6.898 ( 2.708 2.082 0.262) 3.425 7.005 ( -3.280 5.973 -2.726) 7.340 7.373 ( 4.050 4.709 -0.445) 6.227 7.749 ( -5.718 2.708 -7.487) 9.802 7.970 ( -3.726 3.337 4.453) 6.697 ======================= Grid point 538 (255/324) ======================= q-point: (-0.21 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -11.386 -8.300 7.342) 15.888 1.212 ( -6.278 -19.380 9.036) 22.285 1.928 ( -7.650 -33.224 -0.589) 34.099 2.476 ( 5.706 -8.295 4.117) 10.877 2.570 ( 6.337 -5.493 -11.379) 14.136 2.886 ( -2.936 -1.254 -0.868) 3.309 3.062 ( 0.644 -8.061 -1.686) 8.260 3.170 ( -0.219 -9.429 -2.705) 9.812 3.293 ( 1.383 -7.128 8.217) 10.966 3.759 ( 2.178 -2.499 8.292) 8.930 3.821 ( -0.378 -3.274 -8.398) 9.022 4.481 ( -0.915 -1.505 -1.432) 2.270 4.619 ( 0.280 -1.228 0.871) 1.531 4.677 ( 1.198 -5.079 -0.074) 5.219 4.939 ( -0.392 3.809 -0.292) 3.840 5.039 ( -0.752 -2.001 -0.172) 2.144 5.227 ( 1.411 -3.568 -0.611) 3.885 5.451 ( -0.738 -3.144 -5.458) 6.342 5.814 ( -2.067 -0.325 5.734) 6.104 5.902 ( 3.023 0.675 -0.435) 3.128 6.040 ( 2.267 0.768 -1.704) 2.938 6.394 ( 1.838 -3.888 -5.328) 6.846 6.446 ( -1.330 0.714 9.827) 9.943 6.542 ( 0.881 -5.248 3.083) 6.149 6.639 ( 2.323 4.986 -0.997) 5.590 6.850 ( 1.400 5.720 0.689) 5.929 6.879 ( -2.204 2.590 -0.715) 3.475 7.264 ( 3.892 8.437 -0.668) 9.316 7.644 ( -4.559 3.597 -5.512) 8.007 7.893 ( -6.767 2.878 3.622) 8.197 ======================= Grid point 539 (256/324) ======================= q-point: (-0.14 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -4.381 -13.862 6.784) 16.043 1.637 ( -2.475 -24.400 7.452) 25.633 2.496 ( -4.930 -27.174 -0.954) 27.634 2.588 ( -0.695 -4.042 -6.590) 7.762 2.713 ( 8.515 -8.783 -1.578) 12.334 2.899 ( -4.193 -2.225 -2.807) 5.515 3.222 ( -3.314 -4.271 -5.169) 7.479 3.265 ( 1.530 -9.483 1.035) 9.661 3.501 ( 3.801 -6.953 11.219) 13.735 3.857 ( -0.603 -7.959 -2.187) 8.275 3.928 ( 1.471 -7.450 -0.265) 7.598 4.476 ( -1.740 0.211 -0.867) 1.955 4.617 ( 0.496 0.210 2.579) 2.635 4.723 ( -0.115 3.358 -1.593) 3.718 4.946 ( -1.268 -6.417 0.673) 6.575 5.081 ( 0.433 -2.532 0.528) 2.622 5.342 ( 2.990 -6.666 -3.260) 8.000 5.479 ( 1.197 -1.065 -2.739) 3.174 5.828 ( -1.516 0.021 6.552) 6.725 5.902 ( 5.693 0.870 0.783) 5.812 6.072 ( -1.535 -4.423 -4.463) 6.468 6.379 ( -1.137 1.733 -2.902) 3.567 6.433 ( -2.984 5.133 2.060) 6.284 6.559 ( 2.710 3.416 -1.357) 4.566 6.661 ( 2.993 -5.133 5.519) 8.110 6.751 ( 0.982 4.478 -2.089) 5.038 6.862 ( -1.016 -0.342 2.675) 2.882 7.108 ( 4.983 9.361 -0.132) 10.605 7.552 ( -1.946 3.290 -2.696) 4.678 7.820 ( -9.036 1.736 1.768) 9.370 ======================= Grid point 540 (257/324) ======================= q-point: (-0.07 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -0.225 -14.650 5.019) 15.487 2.106 ( -1.757 -24.115 3.928) 24.496 2.591 ( -1.234 -1.016 -3.489) 3.837 2.810 ( 1.634 -8.362 -4.769) 9.764 2.893 ( -6.301 -3.498 -10.592) 12.812 3.015 ( 3.282 -11.729 1.242) 12.243 3.306 ( -1.386 -11.258 1.378) 11.427 3.479 ( 0.329 -9.798 4.272) 10.694 3.627 ( 3.846 -2.951 9.643) 10.793 4.013 ( -0.680 -8.295 -5.031) 9.725 4.072 ( 0.994 -6.643 -0.529) 6.738 4.472 ( -1.111 -0.715 0.903) 1.600 4.629 ( 1.832 2.155 0.705) 2.914 4.649 ( -2.441 -0.152 2.207) 3.294 5.071 ( -0.793 -5.536 1.936) 5.918 5.142 ( 0.142 -3.995 -1.144) 4.158 5.408 ( 1.871 1.060 -4.048) 4.583 5.542 ( 3.441 -5.766 -0.787) 6.760 5.833 ( 1.267 0.195 2.358) 2.684 5.933 ( 1.591 -1.173 1.353) 2.396 6.153 ( -1.773 -6.028 -4.810) 7.913 6.286 ( -5.056 6.467 0.098) 8.209 6.323 ( 1.703 4.093 -2.619) 5.149 6.494 ( -0.324 3.991 1.031) 4.134 6.656 ( 0.097 6.227 -1.903) 6.512 6.782 ( 3.562 -3.932 4.329) 6.847 6.848 ( -1.816 2.186 1.611) 3.267 7.027 ( 8.098 1.333 1.084) 8.278 7.491 ( 0.210 2.313 -0.251) 2.336 7.752 ( -10.262 0.799 -0.125) 10.293 ======================= Grid point 551 (258/324) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -13.393 -0.000 14.205) 19.523 0.848 ( -19.069 -0.000 1.267) 19.111 1.140 ( -21.682 -0.000 4.549) 22.154 2.206 ( 13.163 0.000 3.076) 13.518 2.464 ( 9.228 0.000 -8.044) 12.242 2.712 ( -4.379 -0.000 -11.207) 12.032 2.963 ( 5.831 0.000 3.253) 6.677 3.003 ( -0.678 -0.000 7.983) 8.012 3.143 ( -0.043 -0.000 1.134) 1.135 3.725 ( 2.646 0.000 8.640) 9.036 3.820 ( -1.650 -0.000 -9.967) 10.103 4.284 ( 0.078 0.000 0.427) 0.435 4.546 ( -0.899 -0.000 -2.143) 2.323 4.670 ( 0.151 0.000 -0.059) 0.162 4.968 ( -0.079 -0.000 -0.576) 0.581 5.019 ( -0.740 -0.000 0.096) 0.747 5.273 ( 0.935 0.000 -0.389) 1.013 5.352 ( -2.538 -0.000 -2.006) 3.235 5.817 ( -1.293 -0.000 5.014) 5.178 5.896 ( -2.628 -0.000 -9.029) 9.404 6.155 ( -1.072 -0.000 0.080) 1.075 6.195 ( 7.302 0.000 7.321) 10.340 6.370 ( 1.212 0.000 0.046) 1.213 6.496 ( -3.681 -0.000 8.159) 8.951 6.753 ( 6.312 0.000 1.529) 6.495 6.927 ( 0.919 0.000 -0.402) 1.003 7.054 ( -0.806 -0.000 -2.604) 2.726 7.439 ( 4.587 0.000 0.297) 4.597 7.720 ( -7.155 -0.000 -8.877) 11.402 8.014 ( -2.077 -0.000 4.517) 4.971 ======================= Grid point 552 (259/324) ======================= q-point: (-0.21 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -15.098 -6.268 9.392) 18.853 0.918 ( -9.880 -11.024 15.431) 21.384 1.287 ( -14.943 -26.309 3.896) 30.506 2.359 ( 10.398 -7.622 2.710) 13.174 2.492 ( 5.674 -2.646 -14.962) 16.219 2.753 ( -6.284 -8.185 -13.653) 17.113 3.003 ( 5.694 -0.520 10.465) 11.925 3.050 ( 1.684 -3.479 6.656) 7.697 3.201 ( -0.135 -4.573 4.016) 6.087 3.748 ( -0.347 -1.191 -5.389) 5.530 3.788 ( 0.952 0.937 2.568) 2.895 4.387 ( 1.317 -7.933 -1.099) 8.116 4.544 ( -0.983 -1.781 -2.176) 2.978 4.672 ( 0.631 0.225 0.376) 0.768 4.975 ( -0.707 -0.275 -2.194) 2.321 5.017 ( 0.326 -0.359 1.501) 1.577 5.224 ( -1.004 3.075 -2.157) 3.888 5.362 ( -2.214 -3.159 -3.956) 5.526 5.816 ( -1.027 0.125 2.801) 2.986 5.891 ( 1.140 -1.040 1.149) 1.924 6.126 ( 3.189 4.036 1.386) 5.327 6.293 ( 3.470 -5.830 0.258) 6.789 6.442 ( 0.633 -5.451 1.857) 5.793 6.489 ( -1.196 1.374 9.207) 9.386 6.749 ( 5.190 3.767 0.274) 6.419 6.904 ( -3.453 1.650 -1.800) 4.230 6.980 ( 2.209 6.560 0.949) 6.986 7.410 ( 3.696 5.159 0.032) 6.347 7.647 ( -6.526 1.603 -7.720) 10.235 7.952 ( -5.414 4.831 4.723) 8.658 ======================= Grid point 553 (260/324) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -9.149 -11.010 10.234) 17.597 1.225 ( -3.639 -20.010 13.161) 24.225 1.855 ( -8.166 -34.895 3.101) 35.971 2.485 ( -0.116 -3.998 -13.916) 14.480 2.612 ( 10.357 -8.065 0.573) 13.139 2.816 ( -5.798 -4.548 -9.222) 11.804 3.102 ( 3.790 -4.839 7.823) 9.949 3.164 ( 0.336 -4.620 0.176) 4.635 3.346 ( 0.844 -10.413 6.842) 12.488 3.755 ( -2.340 -3.138 -8.446) 9.310 3.831 ( 2.812 -3.065 6.404) 7.636 4.462 ( -0.899 -0.780 -2.038) 2.360 4.625 ( 0.348 -3.285 -0.074) 3.305 4.679 ( -0.060 -3.071 -1.252) 3.317 4.924 ( -1.403 3.180 -1.495) 3.784 5.050 ( 1.656 -1.786 2.794) 3.706 5.233 ( 1.362 -4.623 -2.698) 5.524 5.416 ( -1.124 -4.084 -4.000) 5.826 5.829 ( -1.157 -0.729 5.772) 5.932 5.932 ( 2.888 -1.825 1.018) 3.564 6.057 ( 2.967 4.308 -1.100) 5.345 6.372 ( -0.527 -1.051 -4.161) 4.324 6.496 ( 1.413 0.592 9.094) 9.222 6.559 ( 0.247 -4.891 0.572) 4.931 6.669 ( 3.629 5.213 0.054) 6.352 6.829 ( -2.419 3.131 -2.433) 4.645 6.898 ( 2.374 3.888 4.384) 6.322 7.296 ( 3.069 8.096 -0.311) 8.664 7.573 ( -4.125 1.659 -5.131) 6.790 7.843 ( -7.887 4.274 3.933) 9.795 ======================= Grid point 554 (261/324) ======================= q-point: (-0.07 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -3.830 -15.429 8.300) 17.934 1.660 ( -1.807 -23.594 8.125) 25.019 2.439 ( -5.147 -27.409 -1.884) 27.951 2.513 ( -2.743 -4.050 -13.211) 14.088 2.814 ( 9.621 -6.715 4.271) 12.486 2.844 ( -2.876 -4.617 -4.144) 6.838 3.190 ( -1.216 -2.115 0.370) 2.468 3.288 ( 1.582 -9.760 1.618) 10.019 3.579 ( 2.005 -9.006 8.031) 12.232 3.820 ( -1.956 -7.214 -5.561) 9.316 3.952 ( 1.824 -6.814 2.369) 7.441 4.456 ( -1.256 -0.250 -0.877) 1.552 4.631 ( -0.833 0.456 2.848) 3.002 4.703 ( -0.945 1.918 -3.859) 4.412 4.943 ( -0.193 -5.800 1.064) 5.900 5.103 ( 2.380 -1.928 2.320) 3.842 5.340 ( 0.867 -5.834 -5.115) 7.807 5.481 ( 1.375 -3.643 -0.888) 3.994 5.848 ( -1.758 0.077 7.033) 7.249 5.970 ( 6.991 2.447 1.056) 7.482 6.028 ( -1.339 -4.094 -5.964) 7.357 6.337 ( -4.060 2.285 -2.338) 5.213 6.432 ( -0.015 6.670 2.035) 6.973 6.568 ( 1.019 2.737 -1.867) 3.466 6.697 ( 1.077 -2.826 0.125) 3.027 6.773 ( 3.607 2.190 1.764) 4.574 6.869 ( -1.128 1.047 4.325) 4.590 7.162 ( 6.227 7.407 0.417) 9.685 7.522 ( -1.674 1.247 -2.394) 3.176 7.738 ( -9.842 3.185 2.008) 10.538 ======================= Grid point 566 (262/324) ======================= q-point: (-0.21 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -17.511 -0.000 7.100) 18.896 0.824 ( -11.366 -0.000 19.912) 22.928 0.994 ( -16.158 -0.000 17.088) 23.518 2.343 ( 12.039 0.000 2.571) 12.311 2.441 ( 2.183 0.000 -19.860) 19.979 2.591 ( -5.902 -0.000 -14.667) 15.809 3.047 ( -0.492 -0.000 9.799) 9.811 3.073 ( 7.542 0.000 10.619) 13.025 3.166 ( 1.755 0.000 5.289) 5.572 3.701 ( -4.205 -0.000 -14.521) 15.117 3.828 ( 3.894 0.000 8.715) 9.546 4.288 ( 0.157 0.000 0.752) 0.768 4.520 ( -1.448 -0.000 -3.078) 3.402 4.672 ( 0.326 0.000 0.256) 0.415 4.962 ( -0.114 -0.000 -1.194) 1.200 5.011 ( -1.040 -0.000 -0.240) 1.068 5.244 ( -0.664 -0.000 -9.688) 9.711 5.317 ( -4.010 -0.000 -0.654) 4.063 5.813 ( 0.086 0.000 -3.896) 3.897 5.925 ( 6.052 0.000 14.206) 15.442 6.146 ( -0.969 -0.000 0.097) 0.974 6.290 ( 5.170 0.000 7.048) 8.741 6.382 ( 1.152 0.000 0.170) 1.164 6.524 ( 0.081 0.000 9.338) 9.338 6.809 ( 4.470 0.000 -1.021) 4.585 6.891 ( -5.864 -0.000 -3.346) 6.752 7.086 ( 7.307 0.000 2.741) 7.804 7.481 ( 2.152 0.000 0.597) 2.233 7.614 ( -4.047 -0.000 -8.018) 8.982 8.004 ( -4.607 -0.000 3.258) 5.642 ======================= Grid point 567 (263/324) ======================= q-point: (-0.14 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -10.944 -9.706 11.406) 18.550 0.945 ( -7.317 -12.027 18.493) 23.242 1.209 ( -8.933 -26.451 15.685) 32.023 2.388 ( -0.486 -1.496 -17.697) 17.767 2.503 ( 9.881 -8.222 -1.207) 12.910 2.618 ( -6.011 -8.038 -14.063) 17.277 3.094 ( 0.383 -3.128 7.306) 7.957 3.127 ( 6.282 0.294 11.972) 13.523 3.230 ( 0.753 -3.827 5.587) 6.814 3.652 ( -4.919 -2.115 -14.829) 15.766 3.856 ( 3.672 1.004 8.003) 8.863 4.395 ( 1.735 -7.043 -1.578) 7.423 4.519 ( -1.414 -2.572 -2.883) 4.114 4.679 ( 0.354 0.062 0.517) 0.630 4.953 ( -1.151 0.982 -2.432) 2.864 5.027 ( 0.197 -2.225 1.119) 2.498 5.191 ( -0.888 0.867 -6.216) 6.339 5.326 ( -1.904 -3.157 -2.118) 4.251 5.816 ( 0.665 -1.018 -0.508) 1.318 5.955 ( 4.525 2.334 9.822) 11.063 6.154 ( 1.890 2.381 1.632) 3.450 6.330 ( 3.586 -2.109 0.353) 4.175 6.461 ( 1.061 -5.272 3.213) 6.265 6.546 ( 2.910 0.461 8.853) 9.330 6.776 ( -0.207 4.233 -3.191) 5.305 6.844 ( -3.148 1.233 -1.992) 3.924 7.045 ( 6.466 7.492 5.319) 11.235 7.421 ( -2.863 4.948 -0.642) 5.752 7.574 ( 0.422 1.657 -5.207) 5.481 7.913 ( -7.677 5.501 4.242) 10.354 ======================= Grid point 568 (264/324) ======================= q-point: (-0.07 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -5.598 -12.147 12.666) 18.421 1.265 ( -3.305 -19.434 13.989) 24.172 1.823 ( -3.618 -34.341 7.365) 35.308 2.380 ( -3.330 -3.897 -18.407) 19.107 2.701 ( -5.148 -6.584 -9.813) 12.890 2.730 ( 9.483 -9.517 2.589) 13.683 3.173 ( 0.218 -2.955 1.637) 3.385 3.192 ( 4.553 -0.708 10.009) 11.018 3.370 ( -0.733 -11.392 1.323) 11.492 3.683 ( -3.435 -6.127 -7.245) 10.091 3.889 ( 2.699 -1.635 5.351) 6.212 4.445 ( -0.450 -0.263 -2.197) 2.258 4.619 ( -0.398 -6.214 -3.043) 6.930 4.664 ( -1.884 1.025 -0.069) 2.146 4.911 ( 0.001 1.077 -0.348) 1.131 5.087 ( 2.241 -2.300 2.814) 4.270 5.222 ( 0.722 -4.933 -5.584) 7.486 5.395 ( -0.319 -4.940 -0.945) 5.040 5.849 ( -0.359 -1.298 4.577) 4.771 5.962 ( 2.138 -0.427 0.590) 2.259 6.092 ( 4.102 5.279 2.036) 6.988 6.347 ( -2.145 0.901 -0.756) 2.446 6.551 ( 0.904 1.381 -1.627) 2.318 6.564 ( 2.005 -0.304 6.027) 6.359 6.686 ( 0.481 1.673 -2.165) 2.778 6.812 ( 0.632 1.075 0.374) 1.302 6.951 ( 3.337 5.803 5.113) 8.424 7.309 ( -0.685 5.480 0.084) 5.523 7.528 ( 0.083 1.956 -3.612) 4.108 7.786 ( -8.046 5.084 3.669) 10.201 ======================= Grid point 581 (265/324) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -11.253 -0.000 13.608) 17.658 0.766 ( -15.549 -0.000 14.901) 21.536 1.076 ( 1.092 0.000 35.034) 35.051 2.323 ( -2.978 -0.000 -22.661) 22.856 2.405 ( -2.716 -0.000 -9.979) 10.342 2.509 ( 6.191 0.000 -3.373) 7.050 3.090 ( -0.799 -0.000 8.987) 9.023 3.170 ( 2.803 0.000 6.777) 7.334 3.243 ( 5.087 0.000 10.953) 12.076 3.558 ( -6.931 -0.000 -19.033) 20.256 3.923 ( 5.958 0.000 8.394) 10.294 4.294 ( 0.173 0.000 0.982) 0.997 4.490 ( -1.325 -0.000 -3.133) 3.402 4.679 ( 0.537 0.000 0.587) 0.795 4.954 ( 0.059 0.000 -1.446) 1.447 4.997 ( -1.390 -0.000 -0.713) 1.562 5.172 ( -2.828 -0.000 -10.190) 10.576 5.282 ( -1.882 -0.000 -0.733) 2.019 5.808 ( 1.880 0.000 -1.596) 2.466 6.096 ( 11.036 0.000 14.795) 18.458 6.138 ( -0.732 -0.000 0.089) 0.738 6.373 ( 5.491 0.000 5.850) 8.024 6.393 ( 0.916 0.000 0.264) 0.953 6.590 ( 3.392 0.000 9.361) 9.956 6.783 ( -6.090 -0.000 -5.802) 8.411 6.852 ( 1.596 0.000 -0.982) 1.874 7.188 ( 7.766 0.000 4.482) 8.966 7.452 ( -3.741 -0.000 -3.396) 5.053 7.607 ( 6.078 0.000 -1.785) 6.335 7.959 ( -7.626 -0.000 2.148) 7.923 ======================= Grid point 582 (266/324) ======================= q-point: (-0.07 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -5.255 -10.257 15.103) 18.998 0.942 ( -8.273 -19.958 13.293) 25.367 1.306 ( 3.552 -17.382 27.802) 32.980 2.254 ( -4.911 -1.656 -21.391) 22.010 2.467 ( -6.510 -10.157 -13.008) 17.741 2.619 ( 8.857 -7.197 1.102) 11.465 3.128 ( -0.353 -2.604 6.043) 6.590 3.220 ( 1.848 -2.416 5.186) 6.012 3.279 ( 3.132 1.247 7.899) 8.588 3.522 ( -5.492 -5.138 -14.019) 15.909 3.928 ( 3.454 2.391 6.157) 7.453 4.403 ( 1.678 -6.018 -1.836) 6.511 4.488 ( -1.879 -2.832 -2.970) 4.513 4.683 ( -0.195 0.541 0.622) 0.847 4.934 ( -0.445 1.511 -1.571) 2.225 5.028 ( -0.680 -3.969 -0.101) 4.029 5.150 ( -0.022 -1.755 -7.304) 7.512 5.308 ( -0.498 -3.431 -0.170) 3.471 5.828 ( 1.692 -1.342 0.604) 2.242 6.040 ( 3.378 5.548 5.720) 8.655 6.194 ( 3.235 2.048 5.334) 6.566 6.358 ( 1.307 1.085 0.976) 1.959 6.485 ( 0.579 -4.134 0.858) 4.262 6.638 ( 6.846 -0.207 7.747) 10.341 6.711 ( -4.841 2.995 -5.573) 7.967 6.844 ( 1.840 1.347 -0.338) 2.305 7.138 ( 5.940 8.728 5.784) 12.038 7.360 ( -6.585 4.279 -0.810) 7.895 7.596 ( 5.737 3.487 -1.673) 6.919 7.855 ( -8.111 5.137 3.723) 10.298 ======================= Grid point 596 (267/324) ======================= q-point: (-0.07 -0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -1.845 -0.000 16.725) 16.827 0.737 ( -7.977 -0.000 18.726) 20.355 1.317 ( 8.837 0.000 37.335) 38.366 2.160 ( -6.792 -0.000 -22.156) 23.174 2.278 ( -6.850 -0.000 -14.105) 15.680 2.583 ( 6.880 0.000 0.698) 6.916 3.127 ( -0.261 -0.000 7.525) 7.530 3.216 ( 0.910 0.000 4.936) 5.019 3.316 ( -2.970 -0.000 -4.119) 5.078 3.413 ( -0.281 -0.000 -6.548) 6.554 4.012 ( 4.643 0.000 5.529) 7.220 4.301 ( 0.149 0.000 1.077) 1.087 4.464 ( -0.716 -0.000 -3.070) 3.153 4.688 ( 0.646 0.000 0.814) 1.039 4.949 ( 0.338 0.000 -1.429) 1.468 4.977 ( -1.610 -0.000 -1.060) 1.928 5.101 ( -1.975 -0.000 -7.739) 7.987 5.274 ( 0.376 0.000 -0.026) 0.377 5.826 ( 2.221 0.000 0.335) 2.246 6.133 ( -0.402 -0.000 0.076) 0.409 6.245 ( 6.824 0.000 9.669) 11.834 6.402 ( 0.550 0.000 0.295) 0.624 6.430 ( 0.323 0.000 1.782) 1.811 6.658 ( -1.233 -0.000 1.658) 2.066 6.735 ( 6.722 0.000 -1.011) 6.798 6.864 ( 1.603 0.000 -0.883) 1.830 7.224 ( -3.253 -0.000 0.517) 3.294 7.456 ( 7.022 0.000 -0.570) 7.045 7.659 ( 4.217 0.000 -0.135) 4.219 7.894 ( -7.237 -0.000 2.186) 7.560 ======================= Grid point 597 (268/324) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.000 -0.000 0.000) 0.000 1.053 ( -0.000 -0.000 0.000) 0.000 1.685 ( 0.000 0.000 0.000) 0.000 2.022 ( -0.000 -0.000 0.000) 0.000 2.076 ( -0.000 -0.000 0.000) 0.000 2.629 ( -0.000 -0.000 0.000) 0.000 2.832 ( -0.000 -0.000 0.000) 0.000 3.219 ( 0.000 0.000 0.000) 0.000 3.310 ( -0.000 -0.000 0.000) 0.000 3.540 ( -0.000 -0.000 0.000) 0.000 4.094 ( -0.000 -0.000 0.000) 0.000 4.319 ( -0.000 -0.000 0.000) 0.000 4.413 ( -0.000 -0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 4.948 ( -0.000 -0.000 0.000) 0.000 4.989 ( -0.000 -0.000 0.000) 0.000 5.299 ( -0.000 -0.000 0.000) 0.000 5.850 ( -0.000 -0.000 0.000) 0.000 6.132 ( -0.000 -0.000 0.000) 0.000 6.394 ( -0.000 -0.000 0.000) 0.000 6.409 ( -0.000 -0.000 0.000) 0.000 6.437 ( 0.000 0.000 -0.000) 0.000 6.591 ( -0.000 -0.000 0.000) 0.000 6.793 ( -0.000 -0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.531 ( -0.000 -0.000 0.000) 0.000 7.662 ( -0.000 -0.000 0.000) 0.000 7.891 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 599 (269/324) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -0.863 -6.717 -3.566) 7.654 1.161 ( 4.172 -22.575 -5.125) 23.523 1.736 ( -7.188 -4.915 2.800) 9.147 1.845 ( 6.763 4.720 1.546) 8.391 2.372 ( -0.930 -18.377 -6.351) 19.465 2.720 ( -3.446 -9.386 -3.065) 10.458 2.836 ( 4.509 -0.971 13.659) 14.416 3.245 ( 0.357 0.164 -1.099) 1.167 3.402 ( 0.270 -10.701 -0.757) 10.731 3.505 ( -1.097 2.989 -2.028) 3.775 4.028 ( -0.377 3.935 -0.836) 4.041 4.393 ( -1.331 -4.177 -0.098) 4.385 4.417 ( 1.619 -1.286 0.970) 2.284 4.696 ( -0.020 0.914 -0.087) 0.918 4.946 ( -1.199 -1.875 -1.725) 2.816 4.978 ( 1.521 -2.655 2.304) 3.830 5.027 ( -0.022 -3.426 0.778) 3.514 5.344 ( 0.134 -4.422 -0.765) 4.490 5.861 ( -1.679 -1.666 -0.280) 2.381 6.087 ( 0.069 4.645 -0.180) 4.649 6.325 ( -2.389 4.159 -0.336) 4.808 6.412 ( -3.977 0.478 -0.186) 4.010 6.473 ( 5.503 -1.943 -1.027) 5.926 6.568 ( 0.263 2.928 2.564) 3.901 6.763 ( -0.811 2.493 -1.523) 3.032 6.863 ( -2.095 -0.201 -0.052) 2.105 7.197 ( 3.307 0.822 -0.314) 3.422 7.399 ( -1.520 10.564 -1.640) 10.798 7.615 ( -4.726 3.790 1.211) 6.178 7.853 ( 4.866 4.369 -1.026) 6.619 ======================= Grid point 600 (270/324) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 1.250 -9.274 -5.229) 10.720 1.575 ( 0.910 -18.176 -12.464) 22.058 1.833 ( 2.720 -10.187 9.799) 14.394 1.976 ( 1.752 -10.686 7.220) 13.015 2.665 ( -3.838 -16.304 -10.535) 19.788 2.886 ( -3.385 -12.363 -1.451) 12.900 3.059 ( 3.827 -12.912 14.323) 19.660 3.228 ( 0.805 0.137 -0.676) 1.060 3.414 ( -1.639 4.143 -4.016) 5.998 3.643 ( 0.789 -13.017 -0.770) 13.064 3.984 ( -0.201 0.307 -1.414) 1.461 4.413 ( -0.674 -1.205 -0.093) 1.384 4.500 ( 1.927 -3.700 2.975) 5.124 4.679 ( 0.507 0.800 -0.265) 0.984 4.977 ( -1.559 -2.975 -4.560) 5.664 5.060 ( 0.905 -3.430 5.530) 6.570 5.109 ( 0.611 -5.178 0.252) 5.220 5.443 ( -0.499 -6.000 -1.676) 6.250 5.893 ( -3.119 -2.610 0.079) 4.068 5.976 ( 0.800 6.251 -0.451) 6.318 6.216 ( -3.417 5.677 -1.408) 6.774 6.376 ( -1.891 1.479 -0.936) 2.577 6.487 ( -0.017 5.127 1.473) 5.334 6.537 ( 4.413 -0.729 2.516) 5.131 6.698 ( -1.085 3.137 -1.336) 3.578 6.861 ( -2.187 -0.812 -0.544) 2.395 7.092 ( 0.306 8.711 -3.321) 9.327 7.294 ( 0.681 1.076 0.509) 1.372 7.508 ( -4.509 4.262 0.844) 6.261 7.780 ( 6.839 5.889 -1.544) 9.156 ======================= Grid point 601 (271/324) ======================= q-point: ( 0.21 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 1.351 -11.908 -4.781) 12.903 1.853 ( 1.605 -16.537 -9.894) 19.338 2.126 ( 6.728 -12.307 14.118) 19.901 2.222 ( 0.089 -11.812 8.218) 14.390 2.903 ( -6.556 -11.680 -6.706) 14.979 3.095 ( -6.743 -10.099 -10.243) 15.886 3.219 ( 2.931 -6.440 0.858) 7.127 3.334 ( 0.070 -2.934 -1.090) 3.131 3.450 ( 2.630 -13.868 11.003) 17.897 3.858 ( 0.793 -9.136 -3.997) 10.004 3.998 ( -0.552 -2.192 -0.519) 2.319 4.449 ( -0.498 -3.043 -0.877) 3.206 4.582 ( 2.544 -2.886 3.615) 5.279 4.671 ( 1.033 0.230 -0.633) 1.233 5.020 ( -0.555 -3.545 -5.198) 6.317 5.122 ( -0.866 -2.040 3.836) 4.430 5.226 ( 0.727 -6.007 1.756) 6.300 5.536 ( -1.260 -4.425 -2.263) 5.128 5.863 ( 0.210 4.109 3.851) 5.636 5.939 ( 0.647 -0.189 -1.811) 1.932 6.092 ( -6.488 3.072 -1.109) 7.264 6.335 ( 1.607 2.455 -1.830) 3.458 6.382 ( -1.465 5.431 3.284) 6.514 6.547 ( 2.802 2.753 0.609) 3.975 6.649 ( -1.207 1.445 1.130) 2.196 6.873 ( -1.419 -1.853 -1.730) 2.905 6.965 ( 1.627 4.538 -3.361) 5.877 7.232 ( -8.338 3.841 0.660) 9.204 7.472 ( 3.263 -0.627 0.083) 3.324 7.694 ( 7.268 6.271 -1.028) 9.654 ======================= Grid point 602 (272/324) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.771 -12.394 -3.302) 12.849 2.168 ( 2.427 -16.949 -2.834) 17.355 2.410 ( 3.566 -11.981 8.132) 14.913 2.449 ( 3.192 -9.519 9.619) 13.904 2.934 ( -6.878 0.782 -3.625) 7.814 3.131 ( -1.871 -0.355 -3.079) 3.621 3.446 ( -0.557 -15.711 -8.268) 17.763 3.508 ( -0.708 -12.816 -0.652) 12.852 3.749 ( 1.752 -12.080 9.454) 15.440 3.947 ( -1.170 -2.986 -8.109) 8.720 4.064 ( 0.069 -4.293 2.030) 4.749 4.506 ( -0.454 -2.863 -1.952) 3.495 4.640 ( 0.510 -1.613 0.987) 1.959 4.682 ( 2.918 -1.055 -1.712) 3.544 5.081 ( 1.725 -3.762 -2.712) 4.948 5.161 ( -1.510 -2.131 2.291) 3.474 5.326 ( -1.634 -3.506 1.601) 4.187 5.581 ( -1.562 -2.105 -1.517) 3.028 5.817 ( -0.059 2.888 6.583) 7.189 5.893 ( 3.651 3.521 -1.014) 5.172 6.092 ( -6.092 -4.902 1.058) 7.890 6.281 ( 1.859 4.004 -0.192) 4.419 6.308 ( -1.538 1.815 -0.362) 2.407 6.488 ( 1.601 4.084 0.307) 4.398 6.601 ( 0.459 4.247 1.296) 4.464 6.886 ( -0.370 4.153 -1.750) 4.522 6.910 ( -0.846 -3.002 -2.761) 4.165 7.135 ( -9.112 0.953 -0.666) 9.186 7.509 ( 1.700 -0.711 -1.261) 2.233 7.630 ( 9.535 3.795 1.278) 10.342 ======================= Grid point 603 (273/324) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -1.161 -9.518 -1.944) 9.784 2.460 ( 3.261 -11.438 3.292) 12.341 2.605 ( -0.366 -6.696 0.821) 6.756 2.710 ( 6.225 -12.814 6.951) 15.851 2.885 ( -4.563 -0.985 0.612) 4.708 3.130 ( -0.941 -0.992 -0.793) 1.581 3.689 ( 0.162 -9.996 -5.518) 11.419 3.708 ( -0.054 -8.340 -1.388) 8.455 3.869 ( -2.360 -1.041 -5.789) 6.337 4.009 ( -0.389 -3.238 4.970) 5.944 4.180 ( -1.014 -9.683 -0.944) 9.782 4.517 ( -0.261 0.840 -1.774) 1.981 4.665 ( -0.823 -1.477 -2.314) 2.866 4.722 ( 3.794 -1.505 -2.415) 4.742 5.158 ( 3.095 -3.016 0.729) 4.383 5.200 ( -1.623 -2.166 0.720) 2.801 5.320 ( -4.184 2.532 0.720) 4.943 5.629 ( -0.537 -4.153 0.752) 4.255 5.801 ( -1.233 -0.594 4.274) 4.487 5.866 ( 4.971 2.262 3.347) 6.406 6.159 ( -2.903 -1.353 1.872) 3.709 6.227 ( -1.253 0.203 0.687) 1.444 6.280 ( 0.214 0.619 -3.862) 3.917 6.408 ( 0.936 5.476 1.211) 5.685 6.522 ( 3.013 3.947 -0.233) 4.971 6.798 ( -4.045 3.407 -0.546) 5.317 6.952 ( -0.304 -2.381 -2.529) 3.487 7.106 ( -5.864 -1.266 -1.472) 6.177 7.491 ( -0.576 1.503 -1.958) 2.535 7.658 ( 9.060 -0.386 2.670) 9.453 ======================= Grid point 604 (274/324) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -1.973 -4.908 -0.895) 5.365 2.616 ( 4.788 -1.842 -0.289) 5.138 2.672 ( -2.671 -3.048 1.368) 4.277 2.909 ( 0.345 -4.756 4.791) 6.759 3.057 ( 3.124 -15.022 4.217) 15.912 3.147 ( -0.929 -1.105 0.242) 1.464 3.644 ( -2.082 8.135 -9.173) 12.436 3.860 ( 0.734 -5.260 -1.637) 5.557 3.921 ( -0.368 -5.365 -0.770) 5.432 4.030 ( -0.687 0.644 3.601) 3.722 4.375 ( -1.683 -9.795 -1.365) 10.032 4.490 ( -0.190 0.635 -1.202) 1.373 4.667 ( -0.760 0.188 -2.123) 2.263 4.745 ( 2.727 0.653 -1.597) 3.227 5.176 ( -0.076 2.700 -0.318) 2.719 5.225 ( -2.027 -1.330 -0.658) 2.512 5.282 ( 0.440 -0.811 3.219) 3.348 5.718 ( -0.326 -4.114 1.203) 4.298 5.819 ( 2.658 0.170 2.174) 3.438 5.899 ( -0.943 -4.081 3.525) 5.474 6.093 ( -1.341 4.682 -0.776) 4.932 6.201 ( 0.838 6.424 -0.561) 6.503 6.289 ( -1.135 -2.829 -1.408) 3.358 6.349 ( 0.833 0.323 1.252) 1.538 6.495 ( 2.665 0.823 -0.221) 2.798 6.726 ( -3.454 2.017 -0.409) 4.020 6.982 ( -0.005 -1.365 -1.500) 2.028 7.101 ( -3.057 -0.641 -0.938) 3.261 7.460 ( -0.625 0.824 -1.135) 1.535 7.712 ( 4.966 -0.793 1.688) 5.305 ======================= Grid point 605 (275/324) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -0.000 0.000 0.000) 0.000 2.626 ( -0.000 -0.000 0.000) 0.000 2.709 ( -0.000 0.000 0.000) 0.000 2.967 ( -0.000 0.000 0.000) 0.000 3.153 ( -0.000 0.000 0.000) 0.000 3.314 ( 0.000 -0.000 0.000) 0.000 3.451 ( -0.000 0.000 -0.000) 0.000 3.904 ( -0.000 0.000 0.000) 0.000 3.982 ( -0.000 0.000 0.000) 0.000 4.023 ( -0.000 0.000 0.000) 0.000 4.447 ( -0.000 0.000 0.000) 0.000 4.514 ( -0.000 -0.000 0.000) 0.000 4.657 ( -0.000 0.000 0.000) 0.000 4.728 ( -0.000 0.000 0.000) 0.000 5.139 ( -0.000 0.000 0.000) 0.000 5.231 ( -0.000 0.000 0.000) 0.000 5.306 ( -0.000 0.000 0.000) 0.000 5.752 ( -0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 5.967 ( -0.000 0.000 0.000) 0.000 6.033 ( -0.000 -0.000 0.000) 0.000 6.101 ( -0.000 0.000 0.000) 0.000 6.309 ( -0.000 -0.000 0.000) 0.000 6.363 ( -0.000 0.000 0.000) 0.000 6.497 ( -0.000 0.000 0.000) 0.000 6.696 ( -0.000 0.000 0.000) 0.000 6.993 ( -0.000 0.000 0.000) 0.000 7.098 ( -0.000 0.000 0.000) 0.000 7.450 ( -0.000 0.000 0.000) 0.000 7.734 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 614 (276/324) ======================= q-point: ( 0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 3.151 0.000 -7.873) 8.480 1.049 ( 5.332 0.000 -10.858) 12.096 1.670 ( -7.761 -0.000 6.830) 10.338 2.038 ( 2.921 0.000 -15.474) 15.748 2.057 ( 3.181 0.000 7.442) 8.094 2.601 ( -5.201 -0.000 -0.952) 5.287 2.920 ( 6.318 0.000 19.414) 20.416 3.221 ( 1.422 0.000 -2.289) 2.695 3.303 ( -0.322 -0.000 -2.060) 2.085 3.517 ( -2.238 -0.000 -4.690) 5.197 4.081 ( -1.872 -0.000 -1.720) 2.542 4.317 ( -0.069 -0.000 -0.447) 0.452 4.420 ( 0.787 0.000 1.112) 1.363 4.702 ( -0.534 -0.000 -0.529) 0.752 4.927 ( -0.704 -0.000 0.637) 0.950 4.959 ( 1.529 0.000 0.656) 1.664 4.996 ( 0.149 0.000 2.311) 2.316 5.300 ( 0.916 0.000 -1.325) 1.611 5.832 ( -3.233 -0.000 -0.448) 3.264 6.134 ( 0.405 0.000 -0.018) 0.405 6.342 ( -7.208 -0.000 -0.150) 7.209 6.406 ( -0.493 -0.000 -0.137) 0.512 6.470 ( 4.130 0.000 -3.106) 5.168 6.609 ( 1.349 0.000 4.768) 4.955 6.771 ( -2.266 -0.000 -3.759) 4.389 6.850 ( -2.900 -0.000 0.496) 2.942 7.227 ( 7.055 0.000 -0.094) 7.055 7.491 ( -5.624 -0.000 -3.720) 6.743 7.633 ( -6.609 -0.000 2.571) 7.091 7.929 ( 7.423 0.000 -1.219) 7.523 ======================= Grid point 615 (277/324) ======================= q-point: ( 0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 1.486 -9.650 -9.542) 13.652 1.178 ( 8.146 -18.728 -11.307) 23.344 1.671 ( -7.046 -4.567 -1.532) 8.535 1.935 ( 6.316 0.795 7.226) 9.630 2.332 ( 0.346 -15.751 -3.316) 16.100 2.655 ( -7.306 -8.451 -2.581) 11.465 2.992 ( 7.206 -1.434 20.842) 22.099 3.239 ( 0.543 0.635 -3.008) 3.122 3.399 ( 0.668 -10.065 -2.334) 10.354 3.466 ( -2.855 1.516 -5.103) 6.040 4.012 ( -1.139 3.320 -2.643) 4.393 4.381 ( -1.300 -3.476 0.486) 3.742 4.442 ( 1.822 -2.578 1.776) 3.622 4.694 ( -0.127 0.485 -0.237) 0.554 4.929 ( -0.558 -0.633 -1.070) 1.362 5.007 ( 1.741 -3.744 2.588) 4.873 5.034 ( -0.143 -2.874 2.526) 3.829 5.340 ( 0.739 -3.887 -1.955) 4.413 5.830 ( -4.287 -1.770 -0.155) 4.641 6.085 ( 0.044 4.856 -0.734) 4.911 6.284 ( -4.542 3.067 -1.791) 5.766 6.378 ( -3.010 1.100 -0.515) 3.246 6.504 ( 2.040 -1.828 -2.120) 3.464 6.605 ( 2.036 2.598 6.257) 7.074 6.738 ( -0.394 1.678 -4.561) 4.876 6.835 ( -3.307 -0.073 0.468) 3.341 7.229 ( 2.419 4.623 -3.263) 6.154 7.370 ( -0.125 6.278 -2.100) 6.622 7.558 ( -7.959 3.870 2.433) 9.179 7.914 ( 8.578 4.561 -2.154) 9.951 ======================= Grid point 616 (278/324) ======================= q-point: ( 0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 2.907 -9.598 -8.792) 13.337 1.525 ( 2.573 -16.063 -12.956) 20.796 1.900 ( 3.504 -19.665 4.164) 20.404 2.054 ( 2.724 -6.923 13.299) 15.238 2.600 ( -1.204 -13.710 -3.180) 14.125 2.808 ( -8.371 -12.202 -4.787) 15.553 3.178 ( 3.793 -4.802 10.775) 12.391 3.238 ( 1.683 -6.329 3.509) 7.430 3.363 ( -2.669 2.898 -7.301) 8.296 3.647 ( 0.930 -12.407 -1.228) 12.502 3.969 ( -0.483 0.081 -2.993) 3.033 4.411 ( -0.054 -1.211 0.905) 1.512 4.538 ( 1.836 -4.503 4.116) 6.371 4.683 ( 0.633 0.658 -0.531) 1.056 4.945 ( -0.274 -2.171 -3.831) 4.412 5.086 ( -0.950 -2.303 3.774) 4.522 5.124 ( 1.303 -5.997 1.970) 6.445 5.426 ( -0.543 -5.393 -2.677) 6.045 5.858 ( -4.180 -3.273 0.958) 5.395 5.981 ( 0.706 5.202 -0.602) 5.284 6.166 ( -4.111 6.250 -3.552) 8.281 6.351 ( -2.800 0.412 0.208) 2.838 6.496 ( -0.433 4.013 2.839) 4.935 6.595 ( 4.346 0.712 1.887) 4.791 6.680 ( -0.269 2.912 -2.116) 3.610 6.830 ( -3.093 -1.070 -0.868) 3.386 7.064 ( -1.117 7.278 -6.065) 9.539 7.298 ( -1.654 5.047 1.535) 5.529 7.482 ( -0.597 0.972 0.912) 1.461 7.845 ( 8.262 6.089 -2.282) 10.514 ======================= Grid point 617 (279/324) ======================= q-point: ( 0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 2.485 -12.202 -6.808) 14.192 1.823 ( 1.921 -18.266 -8.811) 20.371 2.250 ( 2.546 -9.512 12.610) 15.999 2.299 ( 6.408 -14.370 12.572) 20.140 2.817 ( -5.403 -9.548 -3.373) 11.478 2.973 ( -7.177 -11.846 -10.773) 17.547 3.236 ( 1.159 -3.617 -1.748) 4.181 3.321 ( -0.736 -4.577 -2.341) 5.194 3.534 ( 2.507 -14.407 10.936) 18.261 3.836 ( -0.142 -7.287 -5.689) 9.246 3.989 ( -0.460 -3.388 -1.173) 3.615 4.446 ( 0.521 -2.330 -0.052) 2.388 4.623 ( 1.447 -1.989 4.095) 4.776 4.678 ( 1.619 -0.124 -1.475) 2.193 4.996 ( 1.050 -4.397 -4.746) 6.554 5.119 ( -2.224 -1.696 1.234) 3.057 5.247 ( 0.384 -5.368 3.725) 6.545 5.508 ( -1.722 -4.253 -2.919) 5.438 5.895 ( 1.119 1.868 5.917) 6.305 5.932 ( -0.394 -1.361 -1.620) 2.152 6.020 ( -5.906 3.792 -2.825) 7.566 6.328 ( -1.738 1.121 0.327) 2.094 6.399 ( 1.035 6.434 3.002) 7.175 6.568 ( 1.274 3.586 -0.590) 3.851 6.652 ( 0.474 0.973 2.338) 2.576 6.841 ( -2.650 -2.272 -3.183) 4.724 6.958 ( 1.230 3.468 -4.610) 5.898 7.159 ( -7.699 6.168 0.877) 9.904 7.502 ( 3.231 -0.856 -0.335) 3.359 7.766 ( 8.511 5.614 -0.808) 10.228 ======================= Grid point 618 (280/324) ======================= q-point: ( 0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.512 -12.077 -4.699) 12.969 2.174 ( 1.913 -19.110 -3.096) 19.454 2.462 ( 0.655 -9.075 7.896) 12.047 2.582 ( 8.971 -8.727 14.707) 19.311 2.849 ( -6.778 -0.756 -3.150) 7.512 3.089 ( -2.705 -3.506 -4.472) 6.294 3.403 ( 0.258 -15.697 -7.800) 17.530 3.499 ( -0.956 -11.989 0.438) 12.035 3.790 ( -0.348 -7.323 0.735) 7.369 3.905 ( -0.803 -5.259 -1.650) 5.570 4.073 ( 0.272 -4.330 0.590) 4.378 4.495 ( 0.229 -2.333 -1.494) 2.780 4.639 ( -1.023 0.067 -0.321) 1.074 4.703 ( 3.246 -1.463 -2.563) 4.387 5.094 ( 3.236 -5.375 -1.724) 6.507 5.145 ( -2.395 -2.216 -0.124) 3.265 5.327 ( -1.257 -1.571 3.749) 4.255 5.554 ( -2.388 -3.067 -1.836) 4.299 5.834 ( -2.544 3.857 3.763) 5.959 5.927 ( 3.309 0.740 0.513) 3.430 6.059 ( -2.182 -6.237 3.412) 7.437 6.285 ( -2.553 3.608 1.872) 4.800 6.303 ( 2.016 3.551 -1.186) 4.252 6.505 ( 1.678 3.802 -0.130) 4.158 6.613 ( 0.339 3.843 1.861) 4.284 6.855 ( -4.160 2.931 -2.286) 5.578 6.892 ( 0.419 -0.858 -2.932) 3.083 7.057 ( -5.856 0.385 -1.868) 6.158 7.509 ( 0.620 1.021 -2.044) 2.367 7.732 ( 9.582 2.529 1.901) 10.091 ======================= Grid point 619 (281/324) ======================= q-point: ( 0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -1.980 -9.299 -2.955) 9.956 2.509 ( 2.863 -13.766 3.358) 14.456 2.611 ( 1.652 -4.139 -0.095) 4.457 2.819 ( 7.375 -9.586 10.093) 15.753 2.847 ( -4.976 -3.952 2.489) 6.825 3.117 ( -0.894 -1.774 -1.069) 2.256 3.655 ( -0.668 -8.473 -6.876) 10.932 3.703 ( 0.443 -9.163 -1.642) 9.320 3.800 ( -3.876 -2.790 -7.879) 9.213 4.034 ( -0.041 -2.655 4.861) 5.539 4.173 ( -0.241 -8.349 0.706) 8.383 4.503 ( -0.578 0.905 -2.004) 2.274 4.640 ( -1.212 -1.210 -3.469) 3.869 4.743 ( 2.796 -1.827 -2.073) 3.931 5.174 ( -1.387 -2.048 -1.956) 3.154 5.200 ( 3.561 -3.106 1.579) 4.982 5.303 ( -1.692 2.812 2.273) 3.992 5.622 ( -2.150 -5.314 1.175) 5.852 5.800 ( -3.189 -0.961 3.322) 4.705 5.927 ( 4.375 2.173 3.109) 5.790 6.156 ( -0.799 0.087 3.567) 3.656 6.221 ( -0.772 -0.677 1.233) 1.605 6.263 ( 0.065 0.991 -3.465) 3.604 6.425 ( 1.498 5.770 0.987) 6.042 6.546 ( 2.348 3.379 -0.546) 4.151 6.749 ( -5.692 3.150 -0.082) 6.506 6.934 ( -0.274 -2.816 -3.169) 4.249 7.051 ( -3.667 -1.943 -2.113) 4.657 7.474 ( -0.622 1.506 -2.085) 2.647 7.753 ( 7.899 0.959 2.624) 8.379 ======================= Grid point 620 (282/324) ======================= q-point: ( 0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -2.158 -5.856 -1.350) 6.385 2.634 ( 0.410 0.424 -2.507) 2.575 2.695 ( 3.855 -3.482 5.274) 7.403 2.938 ( 0.619 -4.023 4.902) 6.372 3.107 ( 1.709 -15.142 6.041) 16.392 3.141 ( 0.034 -1.392 -0.651) 1.536 3.570 ( -3.115 8.029 -9.759) 13.016 3.854 ( 0.081 -5.857 -2.743) 6.468 3.916 ( -0.132 -6.769 0.009) 6.770 4.034 ( -0.855 1.438 1.131) 2.020 4.357 ( -1.124 -9.368 -0.389) 9.444 4.475 ( -1.287 0.142 -1.725) 2.157 4.638 ( -1.785 -0.303 -3.757) 4.171 4.773 ( 2.795 0.449 1.516) 3.211 5.178 ( 1.205 1.989 -1.001) 2.531 5.211 ( -0.257 0.074 -0.122) 0.294 5.306 ( 1.335 -1.128 2.114) 2.743 5.712 ( -2.756 -4.093 2.108) 5.366 5.844 ( -0.737 -2.697 3.347) 4.362 5.920 ( 2.817 -0.369 2.156) 3.567 6.072 ( -2.117 5.069 -0.721) 5.541 6.211 ( 1.981 6.214 -1.297) 6.650 6.271 ( -1.665 -2.364 -0.265) 2.903 6.367 ( 1.464 0.049 1.176) 1.879 6.509 ( 0.790 1.456 -0.741) 1.815 6.696 ( -2.335 0.504 -0.100) 2.391 6.971 ( -0.375 -1.905 -1.857) 2.687 7.070 ( -2.191 -1.910 -1.039) 3.087 7.448 ( -0.643 0.351 -1.127) 1.344 7.766 ( 4.404 1.662 1.713) 5.009 ======================= Grid point 621 (283/324) ======================= q-point: (-0.43 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.024 -1.580 -0.206) 1.594 2.618 ( -1.249 0.577 0.027) 1.376 2.734 ( 3.631 1.728 2.017) 4.499 2.971 ( 0.690 2.002 0.141) 2.122 3.149 ( -1.017 -0.053 0.042) 1.019 3.283 ( -2.536 8.357 -5.139) 10.133 3.475 ( 1.508 -10.357 4.879) 11.548 3.906 ( -0.004 -0.095 0.450) 0.460 3.981 ( -0.560 0.471 0.678) 0.997 4.013 ( -0.121 -0.338 -3.438) 3.456 4.436 ( -1.611 -1.177 -0.984) 2.225 4.512 ( -0.254 -1.721 -0.398) 1.785 4.633 ( -1.841 -1.710 -2.893) 3.833 4.762 ( 2.192 2.296 5.856) 6.661 5.157 ( 2.971 0.310 0.615) 3.050 5.228 ( 0.259 -1.604 -1.027) 1.922 5.303 ( 0.179 2.010 -1.398) 2.455 5.739 ( -3.203 -0.269 1.583) 3.583 5.853 ( 0.580 3.520 0.900) 3.679 5.980 ( 2.373 0.098 -0.058) 2.376 6.025 ( -1.594 -3.283 0.440) 3.676 6.098 ( 0.144 1.747 -1.851) 2.549 6.304 ( -0.796 -1.798 -0.051) 1.967 6.368 ( 0.883 1.661 0.249) 1.898 6.487 ( -1.869 0.786 -0.393) 2.065 6.706 ( 1.793 -1.545 0.259) 2.381 6.990 ( -0.515 -0.557 -0.203) 0.785 7.098 ( 0.186 -1.747 -0.181) 1.766 7.450 ( -0.024 -0.725 0.035) 0.726 7.735 ( 0.063 3.017 0.190) 3.023 ======================= Grid point 622 (284/324) ======================= q-point: (-0.36 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 1.544 4.331 0.426) 4.618 2.577 ( -3.052 3.898 -0.269) 4.958 2.700 ( 3.044 3.451 0.688) 4.653 2.883 ( -0.002 6.890 -4.245) 8.093 3.005 ( -3.981 11.805 -2.613) 12.729 3.156 ( 1.243 1.315 -0.471) 1.870 3.703 ( 1.078 -7.425 7.944) 10.927 3.862 ( -0.434 5.181 1.546) 5.424 3.929 ( 0.451 3.698 0.885) 3.829 4.010 ( 0.262 -0.325 -5.767) 5.782 4.396 ( 0.788 8.086 1.263) 8.222 4.494 ( -0.087 -0.548 0.844) 1.010 4.668 ( -0.778 -2.199 -0.921) 2.507 4.746 ( -1.071 1.906 5.489) 5.909 5.175 ( -0.515 0.016 -0.120) 0.529 5.238 ( -0.026 2.660 -2.606) 3.724 5.288 ( 5.160 -3.233 -0.309) 6.097 5.704 ( -2.503 3.304 -0.364) 4.161 5.785 ( -2.553 0.852 -0.115) 2.694 5.888 ( 1.002 6.281 -4.752) 7.940 6.106 ( 0.596 -4.867 0.792) 4.967 6.203 ( 0.634 -7.596 0.422) 7.634 6.306 ( 0.905 3.092 1.274) 3.465 6.341 ( 0.368 -0.459 -0.771) 0.970 6.463 ( -3.866 -0.451 -0.175) 3.896 6.762 ( 3.344 -2.654 0.573) 4.308 6.986 ( -0.365 0.763 1.012) 1.319 7.135 ( 3.196 -1.219 0.538) 3.463 7.472 ( 0.580 -1.231 0.911) 1.638 7.658 ( -4.640 3.719 -1.311) 6.089 ======================= Grid point 623 (285/324) ======================= q-point: (-0.29 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.598 9.874 1.009) 9.943 2.420 ( -1.828 10.899 -2.472) 11.325 2.599 ( -1.093 8.462 -2.007) 8.765 2.636 ( -2.927 14.679 -2.906) 15.248 2.922 ( 2.939 -1.918 0.306) 3.523 3.144 ( 1.169 0.458 0.545) 1.369 3.708 ( 0.755 10.892 0.749) 10.944 3.720 ( -0.870 6.654 5.041) 8.393 3.895 ( 0.463 4.041 -0.775) 4.141 4.000 ( 1.091 -0.007 -0.865) 1.392 4.197 ( 1.019 11.392 1.529) 11.539 4.526 ( 0.015 -1.372 1.398) 1.959 4.679 ( 0.552 1.380 0.299) 1.516 4.701 ( -3.147 2.325 2.738) 4.776 5.135 ( -1.550 2.622 0.650) 3.115 5.192 ( -0.473 1.609 -3.737) 4.096 5.377 ( 6.375 -0.775 1.599) 6.618 5.627 ( -0.411 2.839 -0.034) 2.868 5.784 ( 0.329 1.117 -4.853) 4.990 5.801 ( -5.467 -2.526 -1.873) 6.307 6.183 ( 3.173 -0.844 -1.134) 3.474 6.238 ( 1.336 1.777 0.183) 2.230 6.299 ( 0.293 -0.127 3.201) 3.217 6.395 ( -0.513 -5.334 -1.268) 5.507 6.493 ( -3.086 -4.939 0.035) 5.823 6.830 ( 2.187 -2.889 0.719) 3.694 6.965 ( 0.165 1.812 1.601) 2.423 7.176 ( 7.283 -0.344 0.957) 7.354 7.504 ( 0.418 -1.591 1.366) 2.138 7.558 ( -9.032 2.398 -2.222) 9.605 ======================= Grid point 624 (286/324) ======================= q-point: (-0.21 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.390 12.385 1.721) 12.510 2.160 ( -1.908 14.757 2.266) 15.052 2.323 ( -3.602 14.542 -7.081) 16.570 2.414 ( 0.246 10.681 -3.363) 11.201 3.006 ( 4.367 -3.043 2.555) 5.904 3.157 ( 1.017 -0.884 1.478) 2.000 3.488 ( 1.059 12.656 2.570) 12.957 3.529 ( 0.618 15.323 7.532) 17.085 3.676 ( -2.151 14.533 -10.983) 18.343 3.996 ( 0.208 3.830 7.561) 8.478 4.050 ( 0.291 4.178 -3.783) 5.644 4.522 ( 0.742 2.806 1.810) 3.421 4.623 ( -1.498 3.392 -1.214) 3.902 4.668 ( -1.232 0.561 0.511) 1.447 5.090 ( -0.188 2.377 4.047) 4.698 5.148 ( -0.237 1.673 -4.668) 4.965 5.340 ( 1.636 6.012 0.225) 6.234 5.599 ( 0.805 1.411 0.854) 1.835 5.783 ( -0.421 -2.549 -4.450) 5.146 5.869 ( -2.328 -5.721 0.896) 6.242 6.146 ( 5.688 3.810 -0.865) 6.900 6.263 ( -2.870 -2.642 1.481) 4.173 6.323 ( 1.407 -2.303 -0.345) 2.721 6.473 ( -1.107 -3.738 -0.323) 3.912 6.592 ( -0.379 -5.061 -0.651) 5.116 6.893 ( -0.344 -3.059 1.243) 3.320 6.927 ( 0.409 2.688 1.369) 3.044 7.233 ( 10.576 -1.229 0.408) 10.655 7.466 ( -8.231 1.437 -0.781) 8.392 7.564 ( -3.058 -4.353 0.454) 5.339 ======================= Grid point 625 (287/324) ======================= q-point: (-0.14 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -0.351 11.602 1.719) 11.734 1.900 ( 0.275 13.383 10.318) 16.901 2.005 ( -3.647 14.919 -12.076) 19.538 2.195 ( 0.162 12.022 -2.854) 12.357 2.993 ( 4.387 10.368 4.885) 12.272 3.175 ( -2.546 5.806 -2.452) 6.798 3.200 ( 3.912 13.540 7.779) 16.098 3.316 ( -2.172 9.440 -4.266) 10.584 3.391 ( -0.672 6.050 -3.534) 7.038 3.865 ( -0.470 10.059 1.374) 10.163 4.004 ( 0.252 1.718 0.166) 1.744 4.461 ( 0.615 3.486 0.814) 3.633 4.547 ( -1.406 3.253 -1.741) 3.948 4.666 ( -0.412 -0.399 0.104) 0.583 5.057 ( 1.214 2.853 5.463) 6.282 5.097 ( -0.720 2.391 -5.330) 5.886 5.216 ( -0.237 6.600 -0.326) 6.612 5.552 ( 0.444 4.407 0.829) 4.506 5.850 ( 0.074 -5.532 -1.283) 5.680 5.940 ( -0.375 -0.613 0.748) 1.038 6.145 ( 3.318 -2.387 0.168) 4.091 6.321 ( -2.042 -4.394 1.035) 4.954 6.388 ( 1.541 -4.028 -1.358) 4.522 6.521 ( -1.537 -1.553 -0.356) 2.214 6.655 ( 0.653 -2.198 -0.343) 2.319 6.887 ( 0.444 1.538 0.549) 1.692 6.964 ( -0.769 -5.021 1.230) 5.226 7.299 ( 5.049 -0.008 -0.220) 5.053 7.440 ( -2.744 -3.014 -0.199) 4.081 7.647 ( -2.969 -5.717 0.551) 6.465 ======================= Grid point 626 (288/324) ======================= q-point: (-0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.000 9.096 -0.000) 9.096 1.614 ( -0.000 21.910 -0.000) 21.910 1.781 ( 0.000 3.017 0.000) 3.017 1.950 ( -0.000 12.910 0.000) 12.910 2.733 ( -0.000 17.710 -0.000) 17.710 2.883 ( 0.000 10.245 0.000) 10.245 3.005 ( -0.000 16.560 -0.000) 16.560 3.226 ( -0.000 -1.510 0.000) 1.510 3.433 ( -0.000 -4.646 0.000) 4.646 3.641 ( -0.000 13.220 0.000) 13.220 3.988 ( 0.000 -0.372 0.000) 0.372 4.419 ( -0.000 1.196 0.000) 1.196 4.480 ( 0.000 3.463 0.000) 3.463 4.677 ( 0.000 -0.858 -0.000) 0.858 5.017 ( -0.000 3.973 -0.000) 3.973 5.020 ( 0.000 2.979 0.000) 2.979 5.106 ( -0.000 4.963 0.000) 4.963 5.450 ( 0.000 6.174 0.000) 6.174 5.909 ( 0.000 2.712 0.000) 2.712 5.973 ( 0.000 -6.963 0.000) 6.963 6.238 ( -0.000 -5.374 0.000) 5.374 6.390 ( -0.000 -2.775 0.000) 2.775 6.483 ( 0.000 -5.419 0.000) 5.419 6.505 ( -0.000 2.155 0.000) 2.155 6.707 ( -0.000 -3.306 0.000) 3.306 6.873 ( 0.000 0.428 0.000) 0.428 7.098 ( 0.000 -8.726 0.000) 8.726 7.289 ( 0.000 -0.037 0.000) 0.037 7.533 ( 0.000 -5.630 0.000) 5.630 7.747 ( -0.000 -5.548 0.000) 5.548 ======================= Grid point 630 (289/324) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 7.148 0.000 -12.230) 14.166 1.051 ( 9.447 0.000 -14.617) 17.404 1.593 ( -7.907 -0.000 -7.474) 10.880 2.018 ( 2.913 0.000 -1.599) 3.323 2.151 ( 5.276 0.000 12.504) 13.571 2.525 ( -9.144 -0.000 -1.754) 9.311 3.113 ( 8.617 0.000 24.695) 26.155 3.220 ( 1.888 0.000 -4.504) 4.884 3.281 ( -1.160 -0.000 -3.721) 3.898 3.452 ( -4.026 -0.000 -8.751) 9.633 4.041 ( -3.357 -0.000 -3.938) 5.175 4.313 ( -0.172 -0.000 -0.815) 0.833 4.437 ( 1.120 0.000 1.973) 2.269 4.692 ( -0.741 -0.000 -0.747) 1.052 4.927 ( -0.351 -0.000 1.228) 1.277 4.979 ( 1.686 0.000 0.934) 1.927 5.017 ( 0.516 0.000 4.923) 4.950 5.306 ( 2.564 0.000 -2.013) 3.259 5.790 ( -5.014 -0.000 0.263) 5.021 6.140 ( 0.756 0.000 -0.045) 0.757 6.266 ( -7.332 -0.000 -3.099) 7.960 6.398 ( -0.918 -0.000 -0.239) 0.948 6.464 ( -0.785 -0.000 -4.835) 4.898 6.647 ( -1.727 -0.000 6.154) 6.392 6.743 ( 3.788 0.000 -4.586) 5.948 6.827 ( -2.732 -0.000 1.135) 2.958 7.276 ( 1.186 0.000 -3.862) 4.040 7.424 ( -1.064 -0.000 -2.127) 2.378 7.575 ( -8.194 -0.000 2.698) 8.627 7.999 ( 8.276 0.000 -1.793) 8.468 ======================= Grid point 631 (290/324) ======================= q-point: ( 0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 5.566 -9.729 -11.582) 16.118 1.202 ( 9.397 -15.986 -11.794) 21.976 1.588 ( -2.227 -8.877 -12.902) 15.818 2.030 ( 2.384 -1.272 13.347) 13.618 2.363 ( 3.128 -12.512 8.071) 15.214 2.557 ( -9.821 -8.225 -2.933) 13.142 3.151 ( 5.076 -0.886 13.257) 14.224 3.226 ( 0.363 1.561 -2.330) 2.828 3.371 ( -2.310 0.155 -8.901) 9.197 3.428 ( -0.090 -9.437 1.547) 9.563 3.979 ( -1.708 2.199 -4.678) 5.444 4.373 ( -0.985 -4.092 0.777) 4.280 4.468 ( 1.350 -2.874 2.287) 3.913 4.690 ( -0.417 -0.028 -0.400) 0.578 4.926 ( 0.521 0.111 0.153) 0.555 5.031 ( 0.958 -4.111 0.570) 4.260 5.055 ( 0.303 -1.928 5.773) 6.094 5.342 ( 2.197 -2.770 -2.240) 4.185 5.787 ( -4.831 -2.004 1.207) 5.368 6.076 ( -0.690 5.102 -2.220) 5.606 6.227 ( -4.241 1.925 -3.727) 5.965 6.344 ( -3.326 1.608 -0.858) 3.792 6.499 ( -0.692 -2.845 -1.460) 3.272 6.634 ( -1.763 1.163 2.268) 3.099 6.738 ( 4.428 2.556 -2.564) 5.719 6.812 ( -1.812 0.385 1.659) 2.487 7.176 ( -5.919 7.005 -7.980) 12.157 7.398 ( 3.619 4.068 1.276) 5.592 7.507 ( -3.730 2.200 2.405) 4.953 7.981 ( 7.917 4.688 -2.807) 9.619 ======================= Grid point 632 (291/324) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 4.891 -9.445 -9.709) 14.401 1.486 ( 3.027 -15.101 -12.793) 20.022 1.947 ( 5.688 -26.161 -2.616) 26.900 2.149 ( 0.575 -5.959 16.643) 17.687 2.618 ( 2.428 -10.080 7.323) 12.694 2.692 ( -9.556 -11.366 -5.709) 15.909 3.196 ( -0.863 -0.309 -2.128) 2.317 3.291 ( -3.100 0.451 -9.309) 9.822 3.323 ( 3.851 -9.733 10.788) 15.031 3.649 ( 0.334 -10.901 0.045) 10.906 3.943 ( -0.753 -0.369 -4.731) 4.805 4.422 ( 0.856 -1.427 1.788) 2.442 4.573 ( 0.911 -5.486 4.163) 6.947 4.683 ( -0.117 0.357 -0.731) 0.822 4.935 ( 1.784 -1.102 -2.853) 3.540 5.082 ( -1.888 -1.606 0.508) 2.530 5.150 ( 0.526 -5.745 4.203) 7.137 5.410 ( 0.294 -4.254 -2.394) 4.890 5.831 ( -3.257 -4.275 2.431) 5.899 5.982 ( 0.338 3.673 -0.870) 3.790 6.104 ( -4.104 6.783 -5.410) 9.598 6.328 ( -3.007 -0.317 1.589) 3.415 6.506 ( -1.289 2.615 4.034) 4.977 6.619 ( 1.477 0.900 -3.092) 3.542 6.682 ( 1.272 2.412 -0.738) 2.825 6.803 ( -1.365 0.513 0.202) 1.472 7.011 ( -2.574 4.618 -7.237) 8.963 7.275 ( -4.763 7.959 2.109) 9.512 7.511 ( 4.993 -0.246 1.127) 5.124 7.908 ( 7.396 5.744 -2.664) 9.736 ======================= Grid point 633 (292/324) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 2.711 -11.850 -7.504) 14.286 1.795 ( 1.650 -19.468 -8.623) 21.356 2.327 ( -0.192 -8.186 14.804) 16.917 2.435 ( 8.496 -18.721 8.648) 22.303 2.773 ( -3.329 -3.969 1.116) 5.299 2.858 ( -5.004 -13.313 -8.206) 16.420 3.229 ( 0.221 -2.808 -2.735) 3.926 3.299 ( -1.053 -7.419 -2.733) 7.976 3.599 ( 1.268 -13.177 6.113) 14.581 3.801 ( -1.371 -5.577 -3.976) 6.985 3.976 ( -0.372 -4.866 -2.378) 5.429 4.458 ( 1.562 -1.544 0.706) 2.307 4.640 ( -1.030 -0.282 1.602) 1.925 4.692 ( 2.107 -0.863 -0.011) 2.277 4.990 ( 2.558 -5.228 -4.502) 7.358 5.100 ( -2.004 -1.585 -0.227) 2.566 5.266 ( -1.017 -5.151 4.417) 6.861 5.478 ( -1.477 -3.417 -2.425) 4.443 5.907 ( -4.746 -0.932 0.227) 4.842 5.931 ( 0.300 3.103 0.789) 3.216 5.975 ( 0.749 -0.976 0.576) 1.359 6.315 ( -2.191 1.125 2.293) 3.365 6.425 ( 0.832 6.204 3.477) 7.160 6.566 ( -0.189 2.836 -1.610) 3.266 6.680 ( 2.392 1.852 2.526) 3.941 6.789 ( -3.905 -2.103 -4.823) 6.552 6.940 ( 0.175 1.775 -4.793) 5.114 7.099 ( -5.721 7.596 0.752) 9.539 7.531 ( 3.429 0.878 -0.547) 3.581 7.841 ( 7.808 4.235 -0.458) 8.895 ======================= Grid point 634 (293/324) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -0.713 -11.473 -5.571) 12.774 2.174 ( 1.700 -21.011 -3.246) 21.328 2.513 ( 0.582 -7.542 9.532) 12.168 2.745 ( 6.235 -8.165 9.276) 13.841 2.789 ( -0.577 -0.794 4.251) 4.363 3.037 ( -3.056 -7.199 -4.933) 9.247 3.367 ( -0.184 -14.066 -6.153) 15.354 3.496 ( -0.177 -12.217 0.513) 12.229 3.740 ( -3.398 -1.719 -10.340) 11.018 3.925 ( 0.516 -8.993 7.073) 11.453 4.075 ( 0.236 -4.799 -0.767) 4.865 4.495 ( 0.890 -1.342 -0.903) 1.846 4.623 ( -1.235 1.022 -1.003) 1.891 4.709 ( 1.059 -1.301 -3.427) 3.815 5.121 ( 2.951 -6.802 -0.464) 7.429 5.127 ( 0.282 -2.063 -1.387) 2.501 5.334 ( -1.773 -0.717 3.899) 4.343 5.517 ( -3.271 -3.704 -1.794) 5.257 5.809 ( -4.630 3.022 1.006) 5.620 5.951 ( 1.683 -1.676 -0.324) 2.397 6.094 ( 3.107 -6.064 6.935) 9.722 6.270 ( -2.043 3.290 1.569) 4.179 6.318 ( 1.031 5.753 1.022) 5.933 6.517 ( 1.526 2.758 -0.874) 3.271 6.625 ( -0.184 3.994 2.010) 4.475 6.793 ( -5.510 2.139 -2.756) 6.522 6.883 ( 0.354 0.740 -2.160) 2.311 7.002 ( -3.131 -0.291 -3.393) 4.626 7.504 ( 0.607 2.322 -1.991) 3.119 7.825 ( 7.912 1.941 1.850) 8.354 ======================= Grid point 635 (294/324) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -2.654 -9.496 -3.448) 10.446 2.541 ( 0.634 -14.390 2.572) 14.632 2.642 ( 5.245 -4.137 -0.922) 6.744 2.818 ( -4.736 -6.281 4.318) 8.974 2.952 ( 8.228 -5.755 12.513) 16.043 3.102 ( -1.055 -2.639 -1.058) 3.032 3.605 ( -1.972 -5.475 -7.633) 9.598 3.673 ( -2.308 -6.431 -9.552) 11.744 3.746 ( -1.384 -9.746 -0.324) 9.849 4.055 ( 0.165 -0.976 3.114) 3.267 4.180 ( 0.198 -8.084 1.776) 8.279 4.488 ( -0.521 1.749 -1.779) 2.548 4.608 ( -1.488 -0.655 -3.715) 4.055 4.751 ( 0.879 -3.245 -1.617) 3.731 5.158 ( 0.067 -1.495 -1.384) 2.038 5.246 ( 4.461 -3.188 0.864) 5.550 5.304 ( -0.431 2.256 1.633) 2.819 5.597 ( -4.383 -6.208 1.305) 7.711 5.779 ( -3.733 -1.713 1.972) 4.556 5.983 ( 4.350 0.924 2.461) 5.083 6.167 ( -1.204 5.058 2.871) 5.940 6.228 ( -0.357 -0.012 0.837) 0.910 6.253 ( 1.541 -1.917 0.261) 2.473 6.445 ( 1.666 5.902 0.627) 6.165 6.560 ( 1.435 3.665 -1.075) 4.080 6.692 ( -6.158 1.716 0.083) 6.393 6.916 ( 0.000 -2.864 -3.143) 4.252 7.013 ( -2.049 -2.345 -2.312) 3.878 7.459 ( -0.549 1.609 -1.789) 2.468 7.832 ( 6.081 1.893 2.183) 6.732 ======================= Grid point 636 (295/324) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -1.949 -7.028 -1.432) 7.432 2.625 ( -0.058 0.085 -0.950) 0.956 2.767 ( 5.147 -2.042 4.335) 7.033 2.971 ( 1.068 -5.016 4.737) 6.982 3.126 ( -1.666 -2.492 1.861) 3.528 3.167 ( 3.279 -11.307 4.047) 12.449 3.485 ( -3.996 6.872 -9.865) 12.669 3.830 ( -1.185 -7.683 -3.845) 8.673 3.918 ( 0.116 -6.863 0.736) 6.903 4.031 ( -0.246 2.570 0.154) 2.586 4.350 ( -0.410 -8.077 0.249) 8.092 4.450 ( -1.949 0.029 -1.769) 2.632 4.601 ( -1.834 -0.563 -3.250) 3.774 4.807 ( 2.103 -1.144 2.272) 3.300 5.175 ( -0.565 -0.974 -1.233) 1.670 5.232 ( 4.141 3.094 0.375) 5.183 5.326 ( 1.331 -0.441 0.773) 1.601 5.688 ( -4.693 -4.425 2.473) 6.908 5.847 ( -1.373 -5.493 2.615) 6.236 5.966 ( 4.169 2.455 1.215) 4.989 6.049 ( -2.046 5.694 0.019) 6.050 6.212 ( -0.003 2.719 -2.970) 4.026 6.267 ( 0.294 2.323 2.217) 3.225 6.387 ( 1.564 -0.194 0.855) 1.793 6.501 ( -1.451 2.004 -1.327) 2.807 6.682 ( -0.742 -1.522 0.062) 1.694 6.957 ( -0.353 -2.217 -1.752) 2.848 7.049 ( -1.297 -2.693 -0.804) 3.096 7.437 ( -0.561 -0.078 -0.895) 1.059 7.811 ( 3.246 3.451 1.378) 4.934 ======================= Grid point 637 (296/324) ======================= q-point: (-0.36 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.028 -2.910 -0.254) 2.921 2.608 ( -0.894 1.290 0.207) 1.583 2.787 ( 4.335 2.715 2.800) 5.832 2.984 ( 1.805 3.968 0.513) 4.389 3.128 ( -3.309 2.154 -1.015) 4.077 3.232 ( -1.966 7.353 -4.591) 8.888 3.516 ( 1.387 -13.408 4.794) 14.307 3.908 ( -0.091 -1.118 0.628) 1.286 3.974 ( -1.194 1.449 -0.594) 1.969 3.994 ( 0.397 -0.335 -3.106) 3.149 4.412 ( -1.884 -1.415 -1.110) 2.605 4.505 ( -0.570 -3.405 -0.587) 3.502 4.606 ( -1.079 -1.794 -1.671) 2.679 4.812 ( 1.841 2.506 5.480) 6.301 5.179 ( 0.455 0.285 -0.053) 0.539 5.243 ( 4.203 -2.544 -0.342) 4.925 5.295 ( -0.004 3.538 -2.063) 4.096 5.712 ( -4.315 0.120 1.926) 4.727 5.862 ( 0.220 5.507 0.846) 5.576 6.005 ( 2.818 0.127 -0.730) 2.914 6.016 ( -1.126 -5.249 2.146) 5.781 6.084 ( -0.358 3.025 -2.995) 4.272 6.297 ( -0.623 -2.872 0.367) 2.962 6.380 ( 1.550 2.252 0.032) 2.734 6.460 ( -2.955 1.327 -0.552) 3.285 6.727 ( 2.101 -2.647 0.291) 3.392 6.983 ( -0.660 -0.932 -0.220) 1.163 7.099 ( 0.184 -3.032 -0.262) 3.049 7.450 ( -0.019 -1.344 0.052) 1.345 7.737 ( 0.076 5.411 0.234) 5.417 ======================= Grid point 638 (297/324) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 0.868 4.062 0.138) 4.156 2.556 ( -1.341 4.510 0.083) 4.706 2.731 ( 2.317 5.667 0.787) 6.173 2.867 ( 0.351 9.973 -2.820) 10.370 2.958 ( -3.499 6.900 -1.160) 7.823 3.165 ( 0.952 1.274 -0.300) 1.619 3.744 ( 0.333 -6.185 5.094) 8.019 3.867 ( -0.114 5.135 1.542) 5.363 3.938 ( 0.501 1.992 0.764) 2.191 3.981 ( 0.007 -0.168 -5.333) 5.335 4.400 ( -0.514 5.100 0.358) 5.138 4.500 ( 0.393 0.424 0.650) 0.870 4.655 ( -0.723 -3.053 -0.760) 3.228 4.768 ( -0.180 3.905 4.209) 5.744 5.169 ( -0.426 1.130 0.027) 1.208 5.216 ( -0.766 3.043 -2.965) 4.317 5.349 ( 6.013 -5.250 0.571) 8.003 5.669 ( -4.137 2.039 -0.071) 4.612 5.773 ( -0.734 3.014 1.241) 3.341 5.869 ( 0.081 8.007 -4.065) 8.980 6.113 ( 0.227 -4.987 0.554) 5.023 6.213 ( 0.966 -9.336 0.285) 9.390 6.319 ( 0.730 2.934 0.601) 3.082 6.350 ( 2.046 0.180 -0.028) 2.054 6.422 ( -4.345 -0.294 -0.395) 4.373 6.791 ( 2.058 -2.741 0.413) 3.452 6.986 ( -0.384 0.273 0.504) 0.690 7.163 ( 2.134 -3.273 0.174) 3.911 7.480 ( 0.461 -1.541 0.506) 1.686 7.615 ( -3.032 6.521 -0.700) 7.226 ======================= Grid point 639 (298/324) ======================= q-point: (-0.21 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.191 10.093 0.304) 10.099 2.401 ( -0.448 11.234 -0.924) 11.281 2.569 ( -1.590 12.266 -1.264) 12.433 2.622 ( 0.005 12.360 -0.412) 12.367 2.941 ( 0.923 -3.613 0.212) 3.735 3.155 ( 0.627 0.115 0.229) 0.678 3.714 ( 0.183 9.742 0.015) 9.744 3.737 ( -0.235 6.821 2.603) 7.305 3.886 ( -0.007 7.161 -1.820) 7.388 4.010 ( 0.526 -2.719 0.461) 2.807 4.210 ( 0.349 12.241 0.693) 12.265 4.532 ( 0.044 -1.857 0.637) 1.963 4.680 ( 0.091 0.342 -0.443) 0.567 4.692 ( -1.137 4.212 1.398) 4.581 5.137 ( 0.109 1.972 2.752) 3.387 5.162 ( -0.986 1.681 -4.179) 4.611 5.438 ( 3.677 1.029 1.137) 3.984 5.621 ( -0.737 1.200 0.171) 1.418 5.748 ( -1.922 0.042 -2.303) 3.000 5.770 ( -0.723 -1.154 -0.664) 1.515 6.199 ( 1.040 -3.386 -0.525) 3.581 6.251 ( 0.833 4.029 0.322) 4.126 6.317 ( 0.621 1.369 1.478) 2.108 6.385 ( -0.350 -5.958 -0.781) 6.019 6.470 ( -1.508 -5.997 -0.019) 6.183 6.847 ( 0.664 -2.366 0.323) 2.479 6.972 ( 0.044 1.444 0.548) 1.545 7.242 ( 4.698 -3.199 0.539) 5.710 7.475 ( -5.194 5.180 -1.127) 7.422 7.512 ( 0.120 -1.465 0.540) 1.566 ======================= Grid point 640 (299/324) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.000 12.322 -0.000) 12.322 2.157 ( -0.000 13.512 -0.000) 13.512 2.286 ( -0.000 15.970 0.000) 15.970 2.407 ( -0.000 11.142 0.000) 11.142 3.035 ( -0.000 -4.380 -0.000) 4.380 3.165 ( -0.000 -0.850 0.000) 0.850 3.495 ( -0.000 12.154 0.000) 12.154 3.582 ( 0.000 10.568 0.000) 10.568 3.611 ( -0.000 20.387 -0.000) 20.387 4.026 ( -0.000 7.758 0.000) 7.758 4.032 ( 0.000 0.673 0.000) 0.673 4.532 ( -0.000 2.578 0.000) 2.578 4.610 ( 0.000 4.078 0.000) 4.078 4.664 ( -0.000 0.541 0.000) 0.541 5.114 ( -0.000 1.841 -0.000) 1.841 5.119 ( -0.000 1.478 0.000) 1.478 5.350 ( 0.000 7.177 0.000) 7.177 5.605 ( 0.000 1.186 0.000) 1.186 5.769 ( 0.000 -2.759 0.000) 2.759 5.860 ( -0.000 -6.482 0.000) 6.482 6.176 ( 0.000 3.587 0.000) 3.587 6.249 ( -0.000 -2.294 0.000) 2.294 6.329 ( -0.000 -2.492 0.000) 2.492 6.466 ( -0.000 -3.480 0.000) 3.480 6.588 ( 0.000 -5.477 0.000) 5.477 6.894 ( 0.000 -2.770 0.000) 2.770 6.932 ( -0.000 2.696 0.000) 2.696 7.312 ( 0.000 -1.552 0.000) 1.552 7.393 ( 0.000 0.684 0.000) 0.684 7.554 ( -0.000 -3.314 0.000) 3.314 ======================= Grid point 646 (300/324) ======================= q-point: ( 0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 11.377 0.000 -12.248) 16.717 1.085 ( 12.192 0.000 -11.904) 17.039 1.465 ( -2.094 -0.000 -21.291) 21.393 2.066 ( -0.286 -0.000 13.641) 13.644 2.272 ( 4.183 0.000 13.577) 14.207 2.420 ( -9.661 -0.000 -0.952) 9.708 3.207 ( 1.330 0.000 -6.578) 6.711 3.237 ( -1.796 -0.000 -5.940) 6.206 3.322 ( 7.138 0.000 23.469) 24.531 3.353 ( -5.510 -0.000 -11.254) 12.530 3.981 ( -3.396 -0.000 -6.230) 7.095 4.306 ( -0.285 -0.000 -1.010) 1.050 4.460 ( 1.141 0.000 2.719) 2.949 4.682 ( -0.612 -0.000 -0.673) 0.910 4.933 ( 0.011 0.000 1.618) 1.618 4.999 ( 1.455 0.000 0.866) 1.693 5.056 ( 0.788 0.000 7.595) 7.636 5.332 ( 4.889 0.000 -1.765) 5.198 5.749 ( -4.507 -0.000 2.099) 4.972 6.148 ( 0.998 0.000 -0.080) 1.002 6.166 ( -7.902 -0.000 -7.492) 10.889 6.387 ( -1.206 -0.000 -0.281) 1.239 6.415 ( -3.066 -0.000 -6.337) 7.040 6.636 ( -2.359 -0.000 0.668) 2.452 6.778 ( 0.854 0.000 -1.074) 1.372 6.827 ( 3.239 0.000 3.460) 4.739 7.190 ( -8.940 -0.000 -7.944) 11.959 7.464 ( 3.070 0.000 1.553) 3.440 7.523 ( -2.010 -0.000 2.522) 3.225 8.059 ( 6.334 0.000 -2.511) 6.814 ======================= Grid point 647 (301/324) ======================= q-point: ( 0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 9.590 -8.292 -9.868) 16.065 1.229 ( 8.556 -11.360 -11.734) 18.438 1.512 ( 3.669 -15.151 -17.324) 23.306 2.118 ( -1.120 -2.193 18.424) 18.588 2.409 ( -8.754 -10.207 1.492) 13.529 2.495 ( 2.940 -8.805 9.177) 13.053 3.170 ( -1.449 -0.259 -5.218) 5.422 3.229 ( -2.087 -0.474 -5.724) 6.111 3.299 ( -1.015 -0.168 -6.518) 6.598 3.483 ( 2.660 -7.247 12.955) 15.080 3.933 ( -1.614 1.075 -6.611) 6.889 4.370 ( -0.533 -5.272 0.766) 5.354 4.491 ( 1.014 -2.616 2.782) 3.952 4.682 ( -0.736 -0.113 -0.556) 0.929 4.938 ( 1.077 -0.014 1.201) 1.613 5.034 ( -0.219 -2.458 -0.198) 2.476 5.097 ( 1.180 -1.727 7.320) 7.613 5.361 ( 3.901 -1.213 -1.878) 4.497 5.759 ( -3.076 -2.348 3.329) 5.104 6.041 ( -2.725 3.944 -5.787) 7.515 6.173 ( -2.778 2.244 -3.602) 5.072 6.306 ( -3.404 0.951 -1.220) 3.739 6.480 ( -1.725 -4.406 -1.326) 4.914 6.619 ( -0.180 0.654 -2.322) 2.420 6.739 ( -2.844 3.000 -0.628) 4.181 6.846 ( 5.139 1.516 3.458) 6.377 7.068 ( -7.091 5.271 -7.949) 11.885 7.396 ( -4.695 6.016 1.875) 7.858 7.546 ( 7.371 0.177 2.663) 7.839 8.030 ( 5.697 4.481 -3.460) 8.031 ======================= Grid point 648 (302/324) ======================= q-point: ( 0.36 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 6.237 -8.043 -8.150) 13.039 1.448 ( 3.203 -14.711 -13.441) 20.182 1.984 ( 6.320 -29.650 -5.024) 30.729 2.235 ( -1.725 -5.661 18.900) 19.805 2.570 ( -8.738 -11.578 -4.894) 15.309 2.716 ( 5.634 -7.102 12.312) 15.289 3.163 ( -3.028 -2.296 -4.201) 5.665 3.215 ( -1.945 -1.463 -9.432) 9.741 3.387 ( 1.525 -9.528 2.969) 10.096 3.659 ( -0.546 -7.925 4.602) 9.180 3.907 ( -0.792 -1.011 -6.432) 6.559 4.444 ( 1.517 -1.866 2.107) 3.197 4.598 ( 0.322 -5.853 3.460) 6.807 4.672 ( -1.205 -0.273 -0.629) 1.387 4.946 ( 2.730 0.065 -2.076) 3.430 5.060 ( -1.913 -1.464 -1.001) 2.609 5.175 ( -0.040 -4.388 4.586) 6.348 5.409 ( 1.429 -2.913 -1.214) 3.465 5.823 ( -1.580 -4.229 3.294) 5.589 5.975 ( -0.361 0.833 -2.919) 3.057 6.038 ( -3.710 7.140 -4.261) 9.105 6.313 ( -2.424 -1.112 2.994) 4.009 6.511 ( -2.010 1.244 3.651) 4.349 6.614 ( 2.016 1.013 -4.143) 4.718 6.665 ( -2.505 0.140 -3.383) 4.212 6.819 ( 2.561 4.635 2.377) 5.805 6.945 ( -3.440 1.997 -6.645) 7.745 7.240 ( -4.405 8.439 1.923) 9.712 7.575 ( 6.416 1.144 1.571) 6.704 7.956 ( 5.595 4.826 -2.786) 7.897 ======================= Grid point 649 (303/324) ======================= q-point: ( 0.43 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 1.565 -10.482 -6.904) 12.649 1.768 ( 1.995 -20.579 -8.051) 22.188 2.401 ( -1.514 -7.486 16.409) 18.099 2.528 ( 5.140 -22.766 1.690) 23.400 2.714 ( -4.843 -9.367 -7.616) 13.008 2.857 ( 4.071 -3.741 8.081) 9.791 3.218 ( -0.198 -3.041 -1.003) 3.209 3.274 ( -0.886 -10.028 -2.990) 10.502 3.603 ( -1.564 -9.818 -5.225) 11.231 3.788 ( -0.963 -6.535 4.130) 7.791 3.956 ( -0.435 -6.101 -3.851) 7.228 4.480 ( 1.892 -0.827 0.934) 2.266 4.629 ( -1.496 0.201 -0.470) 1.581 4.709 ( 0.647 0.099 1.067) 1.252 4.992 ( 2.115 -6.101 -3.915) 7.551 5.089 ( 0.521 -2.141 -0.553) 2.272 5.270 ( -2.567 -4.924 3.644) 6.642 5.457 ( -0.871 -1.749 -1.250) 2.320 5.852 ( -5.684 2.729 -0.539) 6.328 5.917 ( 0.432 -0.146 -4.236) 4.260 6.023 ( 3.076 -4.550 5.740) 7.944 6.315 ( -1.279 1.262 4.674) 5.008 6.447 ( -0.281 5.549 3.565) 6.602 6.555 ( -0.145 2.294 -1.882) 2.970 6.717 ( 2.875 -0.511 0.302) 2.936 6.721 ( -4.234 1.774 -4.531) 6.450 6.913 ( -0.796 -0.115 -4.286) 4.361 7.057 ( -3.749 8.682 0.469) 9.468 7.560 ( 3.141 3.052 -0.522) 4.411 7.906 ( 6.105 2.789 -0.196) 6.715 ======================= Grid point 650 (304/324) ======================= q-point: ( 0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -1.892 -10.941 -5.211) 12.266 2.175 ( 1.940 -22.424 -2.836) 22.686 2.568 ( -0.106 -6.334 10.603) 12.352 2.723 ( -1.978 -3.695 -3.896) 5.722 2.948 ( 10.125 -6.046 16.474) 20.260 2.985 ( -2.348 -9.423 -4.046) 10.520 3.336 ( -0.886 -11.735 -3.721) 12.342 3.500 ( 0.533 -12.875 0.160) 12.887 3.638 ( -4.933 -0.474 -13.100) 14.006 3.968 ( 0.336 -8.888 7.480) 11.621 4.069 ( 0.208 -5.679 -2.230) 6.105 4.501 ( 1.032 -0.412 -0.499) 1.218 4.610 ( -0.448 1.819 -0.500) 1.939 4.687 ( -1.377 -1.065 -3.811) 4.190 5.127 ( 0.433 -2.985 1.530) 3.382 5.153 ( 4.568 -6.880 -3.030) 8.796 5.333 ( -1.992 -1.139 3.128) 3.879 5.474 ( -3.879 -3.262 -1.548) 5.300 5.769 ( -4.079 2.011 0.249) 4.554 5.962 ( 1.441 -3.605 -0.709) 3.947 6.165 ( 3.753 -6.274 5.251) 9.001 6.269 ( -0.543 4.548 3.955) 6.052 6.333 ( 0.269 7.003 2.435) 7.419 6.523 ( 0.981 1.730 -2.171) 2.945 6.621 ( -2.683 2.848 0.303) 3.925 6.739 ( -2.567 3.656 -1.283) 4.648 6.876 ( 0.106 1.270 -1.346) 1.854 6.959 ( -1.998 -1.169 -4.094) 4.703 7.501 ( 0.590 3.410 -1.502) 3.772 7.899 ( 5.594 1.615 1.433) 5.996 ======================= Grid point 651 (305/324) ======================= q-point: ( 0.57 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -2.406 -10.036 -2.823) 10.700 2.554 ( 0.200 -12.531 1.467) 12.618 2.691 ( 5.834 -7.456 -1.693) 9.617 2.800 ( -4.244 -6.967 4.886) 9.509 3.084 ( 1.014 -4.097 -0.266) 4.229 3.105 ( 6.508 -1.671 13.534) 15.110 3.529 ( -4.284 2.126 -11.563) 12.513 3.597 ( -2.785 -13.205 -6.780) 15.103 3.747 ( 0.132 -11.310 1.096) 11.364 4.071 ( 0.493 0.204 1.851) 1.927 4.190 ( 0.008 -8.256 1.359) 8.367 4.476 ( -0.319 2.904 -1.132) 3.133 4.577 ( -1.202 0.180 -2.899) 3.143 4.746 ( -0.198 -5.284 -0.968) 5.375 5.157 ( 0.505 -0.493 -0.534) 0.885 5.287 ( 2.708 -4.577 0.192) 5.321 5.318 ( 2.901 2.579 0.550) 3.920 5.553 ( -6.069 -6.893 1.245) 9.268 5.756 ( -2.455 -2.576 1.014) 3.700 6.034 ( 4.250 -1.252 1.383) 4.641 6.162 ( -1.964 6.255 1.681) 6.769 6.211 ( -1.713 4.856 -1.258) 5.300 6.301 ( 3.926 -4.125 4.788) 7.440 6.460 ( 1.007 5.156 -0.035) 5.253 6.559 ( -0.303 6.203 -1.924) 6.501 6.640 ( -4.257 -1.069 0.235) 4.395 6.903 ( 0.216 -2.735 -2.253) 3.550 6.988 ( -1.107 -2.834 -1.821) 3.546 7.446 ( -0.374 1.773 -1.185) 2.165 7.889 ( 3.824 2.497 1.437) 4.788 ======================= Grid point 652 (306/324) ======================= q-point: ( 0.64 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -1.185 -8.027 -0.929) 8.167 2.623 ( 0.110 0.071 -0.251) 0.283 2.826 ( 3.259 -1.611 2.418) 4.366 3.006 ( 1.481 -8.104 3.575) 8.980 3.117 ( -1.217 -0.751 0.601) 1.551 3.223 ( 3.158 -5.939 5.528) 8.707 3.396 ( -4.227 3.570 -8.901) 10.480 3.799 ( -1.222 -9.083 -2.865) 9.602 3.923 ( 0.008 -6.570 0.577) 6.595 4.032 ( 0.248 3.457 0.082) 3.467 4.349 ( -0.111 -7.179 0.252) 7.184 4.425 ( -1.491 0.357 -1.158) 1.921 4.574 ( -1.028 -1.032 -1.824) 2.334 4.833 ( 1.133 -2.661 1.564) 3.288 5.163 ( -0.751 -0.822 -0.596) 1.263 5.278 ( 4.402 3.013 0.161) 5.337 5.338 ( 0.781 0.405 -0.020) 0.880 5.654 ( -4.294 -5.136 1.692) 6.905 5.849 ( -0.544 -7.170 1.577) 7.361 5.996 ( 1.629 6.002 -1.068) 6.310 6.044 ( 0.189 4.872 1.887) 5.228 6.188 ( -1.537 -1.142 -2.103) 2.844 6.291 ( 1.693 7.453 2.151) 7.940 6.405 ( 1.693 -0.675 0.572) 1.910 6.471 ( -2.802 1.818 -1.618) 3.712 6.680 ( 0.060 -3.024 0.049) 3.025 6.948 ( -0.108 -2.267 -1.039) 2.496 7.037 ( -0.623 -3.144 -0.427) 3.233 7.429 ( -0.334 -0.376 -0.492) 0.704 7.840 ( 1.714 4.528 0.763) 4.902 ======================= Grid point 653 (307/324) ======================= q-point: (-0.29 0.21 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 0.012 -3.689 -0.112) 3.691 2.603 ( -0.295 1.739 0.115) 1.768 2.832 ( 2.024 2.771 1.461) 3.730 3.015 ( 3.863 5.661 1.693) 7.060 3.075 ( -5.170 5.911 -2.600) 8.272 3.207 ( -0.349 3.346 -1.355) 3.627 3.544 ( 0.570 -14.375 2.016) 14.527 3.910 ( -0.119 -3.420 0.302) 3.436 3.958 ( -0.449 3.600 -1.339) 3.867 3.989 ( 0.153 -0.220 -0.428) 0.505 4.394 ( -0.825 -1.277 -0.469) 1.591 4.498 ( -0.305 -4.290 -0.280) 4.310 4.595 ( -0.281 -1.886 -0.492) 1.969 4.846 ( 0.714 2.328 2.245) 3.312 5.176 ( -0.277 -0.371 -0.231) 0.517 5.282 ( 2.501 -1.849 0.054) 3.111 5.285 ( 0.151 3.772 -0.995) 3.904 5.685 ( -2.289 0.622 0.790) 2.501 5.866 ( 0.019 6.079 0.344) 6.089 6.014 ( 0.338 -5.661 -0.011) 5.671 6.031 ( 0.757 -1.476 1.774) 2.429 6.064 ( -0.434 5.148 -2.406) 5.700 6.296 ( -0.119 -3.496 0.365) 3.517 6.397 ( 1.766 2.456 -0.184) 3.031 6.430 ( -2.494 1.547 -0.210) 2.942 6.744 ( 0.906 -3.224 0.119) 3.351 6.977 ( -0.306 -1.065 -0.087) 1.112 7.099 ( 0.067 -3.677 -0.128) 3.679 7.450 ( -0.005 -1.716 0.026) 1.716 7.739 ( 0.033 6.724 0.103) 6.725 ======================= Grid point 654 (308/324) ======================= q-point: (-0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -0.000 3.989 0.000) 3.989 2.551 ( -0.000 4.582 0.000) 4.582 2.745 ( -0.000 7.189 0.000) 7.189 2.861 ( -0.000 12.190 0.000) 12.190 2.936 ( 0.000 3.491 0.000) 3.491 3.169 ( -0.000 1.192 0.000) 1.192 3.760 ( -0.000 -5.456 0.000) 5.456 3.872 ( -0.000 5.239 0.000) 5.239 3.944 ( -0.000 0.261 0.000) 0.261 3.964 ( -0.000 0.613 -0.000) 0.613 4.397 ( 0.000 3.897 0.000) 3.897 4.504 ( 0.000 0.719 0.000) 0.719 4.649 ( -0.000 -3.176 0.000) 3.176 4.779 ( 0.000 4.649 0.000) 4.649 5.168 ( -0.000 0.940 0.000) 0.940 5.202 ( -0.000 3.524 0.000) 3.524 5.384 ( -0.000 -6.149 0.000) 6.149 5.644 ( 0.000 2.042 0.000) 2.042 5.775 ( -0.000 3.528 0.000) 3.528 5.857 ( 0.000 8.831 0.000) 8.831 6.116 ( -0.000 -4.951 0.000) 4.951 6.219 ( 0.000 -10.132 0.000) 10.132 6.324 ( 0.000 2.595 0.000) 2.595 6.375 ( 0.000 3.211 0.000) 3.211 6.384 ( -0.000 -2.698 0.000) 2.698 6.803 ( 0.000 -2.702 0.000) 2.702 6.985 ( -0.000 0.075 0.000) 0.075 7.175 ( -0.000 -4.262 0.000) 4.262 7.484 ( -0.000 -1.722 0.000) 1.722 7.598 ( 0.000 7.841 -0.000) 7.841 ======================= Grid point 662 (309/324) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 14.232 0.000 -9.375) 17.042 1.153 ( 12.802 0.000 -10.133) 16.327 1.355 ( 3.631 0.000 -21.417) 21.723 2.139 ( -2.778 -0.000 19.096) 19.297 2.252 ( -12.595 -0.000 -1.067) 12.640 2.449 ( 5.941 0.000 13.996) 15.204 3.166 ( -4.994 -0.000 -10.419) 11.554 3.176 ( 0.164 0.000 -8.364) 8.365 3.243 ( -4.094 -0.000 -10.290) 11.075 3.495 ( 4.416 0.000 20.703) 21.169 3.918 ( -1.913 -0.000 -7.785) 8.017 4.298 ( -0.337 -0.000 -0.977) 1.033 4.487 ( 1.253 0.000 3.320) 3.549 4.674 ( -0.351 -0.000 -0.489) 0.602 4.943 ( 0.259 0.000 1.754) 1.773 5.015 ( 1.051 0.000 0.573) 1.197 5.109 ( 0.838 0.000 9.564) 9.600 5.377 ( 5.866 0.000 -1.512) 6.057 5.735 ( -1.702 -0.000 4.715) 5.012 6.046 ( -6.920 -0.000 -10.228) 12.349 6.157 ( 1.078 0.000 -0.113) 1.084 6.342 ( -4.499 -0.000 -7.884) 9.077 6.373 ( -1.293 -0.000 -0.258) 1.319 6.624 ( 0.743 0.000 -2.037) 2.169 6.750 ( -4.483 -0.000 0.088) 4.484 6.895 ( 4.511 0.000 3.122) 5.486 7.071 ( -6.975 -0.000 -5.782) 9.060 7.436 ( -5.552 -0.000 1.081) 5.656 7.597 ( 8.933 0.000 3.721) 9.677 8.090 ( 3.446 0.000 -3.530) 4.933 ======================= Grid point 663 (310/324) ======================= q-point: ( 0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 12.351 -6.034 -6.034) 15.012 1.231 ( 6.692 -6.338 -15.849) 18.334 1.491 ( 6.594 -19.819 -10.214) 23.251 2.196 ( -3.469 -2.611 19.549) 20.025 2.298 ( -10.521 -10.597 -2.369) 15.119 2.618 ( 6.505 -9.098 14.557) 18.357 3.102 ( -5.419 -0.192 -10.548) 11.860 3.144 ( -2.503 -0.758 -10.058) 10.392 3.271 ( -0.127 -4.857 -5.635) 7.440 3.581 ( 1.384 -2.583 15.576) 15.849 3.883 ( -0.869 0.526 -8.150) 8.213 4.370 ( -0.205 -6.549 0.554) 6.575 4.517 ( 1.146 -2.115 3.049) 3.884 4.671 ( -0.814 0.294 -0.552) 1.027 4.956 ( 0.956 -0.515 1.636) 1.964 5.027 ( -0.583 -0.781 -0.616) 1.153 5.150 ( 1.435 -0.988 8.114) 8.299 5.391 ( 4.134 0.096 -2.056) 4.618 5.767 ( 0.162 -2.280 5.532) 5.986 5.972 ( -3.556 1.204 -7.903) 8.749 6.133 ( -2.535 4.964 -3.310) 6.483 6.271 ( -2.491 -1.457 -1.092) 3.085 6.454 ( -2.132 -5.433 -1.552) 6.039 6.612 ( 2.161 0.933 -3.985) 4.629 6.700 ( -4.561 2.835 0.102) 5.371 6.904 ( 1.534 1.000 1.256) 2.221 6.980 ( -2.690 5.250 -3.399) 6.808 7.359 ( -4.259 5.427 1.285) 7.017 7.639 ( 8.159 1.066 3.557) 8.964 8.052 ( 2.981 3.819 -4.035) 6.305 ======================= Grid point 664 (311/324) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 6.036 -4.962 -5.272) 9.426 1.412 ( 3.345 -14.962 -12.133) 19.551 2.009 ( 3.589 -30.411 -4.387) 30.934 2.309 ( -3.305 -5.797 18.192) 19.378 2.485 ( -3.753 -11.984 -3.714) 13.095 2.839 ( 6.080 -5.590 12.238) 14.765 3.092 ( -4.399 -5.210 -7.728) 10.306 3.170 ( -0.415 -3.960 -4.036) 5.669 3.382 ( -0.924 -9.247 -5.188) 10.643 3.687 ( -1.121 -4.994 9.175) 10.506 3.863 ( -0.486 -1.669 -7.923) 8.112 4.469 ( 1.464 -2.392 1.724) 3.292 4.615 ( 0.341 -4.402 1.935) 4.821 4.657 ( -1.570 -1.962 0.250) 2.525 4.955 ( 0.969 1.410 -2.049) 2.669 5.046 ( 0.000 -2.292 -0.397) 2.326 5.196 ( -0.034 -2.202 3.665) 4.276 5.422 ( 1.789 -1.886 -0.160) 2.604 5.830 ( -0.442 -2.149 2.845) 3.593 5.934 ( -2.215 1.066 -6.797) 7.228 6.006 ( -1.419 2.722 0.581) 3.124 6.314 ( -1.240 -2.156 4.139) 4.829 6.504 ( -2.163 -0.056 1.189) 2.469 6.613 ( -2.974 3.973 -0.966) 5.056 6.622 ( 2.570 -2.902 -5.522) 6.747 6.851 ( 0.795 7.056 -0.581) 7.124 6.889 ( -1.609 0.195 -2.221) 2.750 7.214 ( -2.922 8.363 1.330) 8.958 7.642 ( 5.468 3.091 1.732) 6.516 7.985 ( 3.490 3.430 -2.512) 5.500 ======================= Grid point 665 (312/324) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.187 -8.609 -5.030) 9.973 1.752 ( 2.190 -21.521 -5.793) 22.394 2.464 ( -2.492 -7.545 15.332) 17.269 2.556 ( 0.974 -24.081 -1.287) 24.135 2.641 ( -1.139 -8.411 -8.194) 11.797 2.962 ( 6.834 -3.402 8.547) 11.460 3.217 ( -1.248 -5.494 2.940) 6.355 3.258 ( 0.744 -9.845 -1.128) 9.937 3.528 ( -3.877 -6.515 -12.001) 14.195 3.816 ( -0.352 -8.127 7.952) 11.375 3.929 ( -0.352 -7.067 -5.288) 8.833 4.501 ( 1.446 -0.299 0.726) 1.646 4.611 ( -1.374 0.131 -1.047) 1.733 4.716 ( -0.150 1.851 0.958) 2.090 4.990 ( 0.835 -7.411 -2.152) 7.762 5.103 ( 2.836 -2.734 -0.862) 4.033 5.257 ( -3.162 -4.227 2.289) 5.754 5.446 ( -0.597 0.065 -0.463) 0.758 5.804 ( -3.560 3.335 -0.660) 4.922 5.901 ( 0.214 -2.136 -2.956) 3.653 6.074 ( 2.180 -5.765 3.564) 7.120 6.343 ( 0.708 0.891 7.261) 7.350 6.456 ( -1.077 4.573 2.494) 5.319 6.538 ( -1.206 1.633 -3.182) 3.775 6.656 ( -2.488 1.343 -5.190) 5.910 6.752 ( 2.672 1.777 1.229) 3.436 6.883 ( -1.430 -1.273 -3.309) 3.823 7.031 ( -2.145 9.576 0.260) 9.816 7.584 ( 2.199 4.823 -0.356) 5.313 7.953 ( 3.853 1.634 -0.056) 4.186 ======================= Grid point 666 (313/324) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -1.638 -10.703 -3.197) 11.289 2.181 ( 1.478 -23.238 -1.678) 23.346 2.617 ( -1.120 -5.061 10.579) 11.781 2.689 ( 0.244 -4.404 -6.302) 7.692 2.946 ( -1.624 -12.574 -2.310) 12.888 3.124 ( 8.848 -6.397 13.483) 17.350 3.319 ( -0.367 -8.324 0.696) 8.361 3.504 ( 0.353 -10.184 -2.919) 10.600 3.516 ( -5.877 -3.298 -11.368) 13.215 4.006 ( -0.032 -8.184 6.580) 10.501 4.056 ( 0.307 -6.669 -3.791) 7.677 4.508 ( 0.756 0.333 -0.191) 0.848 4.611 ( 0.389 2.051 0.542) 2.157 4.651 ( -2.036 -0.740 -3.154) 3.826 5.145 ( 0.731 -3.171 2.885) 4.348 5.172 ( 2.966 -6.738 -4.026) 8.391 5.333 ( -0.703 -3.946 2.254) 4.599 5.431 ( -3.411 -1.054 -1.218) 3.772 5.739 ( -2.185 1.515 0.099) 2.660 5.971 ( 0.940 -4.876 -0.503) 4.992 6.202 ( 1.100 -4.970 0.773) 5.149 6.301 ( 1.195 5.756 4.081) 7.156 6.358 ( 1.475 6.294 6.067) 8.866 6.504 ( -1.508 1.402 -5.440) 5.817 6.587 ( -2.704 0.090 -0.660) 2.785 6.733 ( 0.393 6.589 0.866) 6.657 6.871 ( 0.008 1.644 -0.551) 1.734 6.923 ( -1.327 -2.514 -3.191) 4.274 7.499 ( 0.373 4.155 -0.792) 4.246 7.945 ( 2.892 1.441 0.778) 3.323 ======================= Grid point 667 (314/324) ======================= q-point: ( 0.64 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -0.977 -10.495 -1.091) 10.597 2.561 ( 0.139 -11.418 0.480) 11.429 2.727 ( 3.220 -10.958 -1.551) 11.526 2.787 ( -2.504 -5.701 2.860) 6.852 3.077 ( -0.298 -4.019 -0.433) 4.053 3.253 ( 7.346 0.209 13.910) 15.732 3.411 ( -6.101 3.037 -13.328) 14.970 3.557 ( -0.937 -14.720 -1.975) 14.881 3.752 ( 0.073 -11.399 0.404) 11.406 4.082 ( 0.311 0.745 0.693) 1.064 4.194 ( -0.078 -8.423 0.416) 8.434 4.470 ( -0.139 3.639 -0.381) 3.661 4.559 ( -0.419 0.848 -1.090) 1.443 4.741 ( -0.190 -6.747 -0.307) 6.756 5.158 ( 0.119 0.405 -0.096) 0.433 5.300 ( 0.490 -4.814 0.086) 4.839 5.356 ( 3.488 2.692 -0.213) 4.411 5.505 ( -4.103 -8.066 0.688) 9.076 5.744 ( -0.790 -3.157 0.327) 3.271 6.074 ( 2.584 -4.595 0.271) 5.279 6.149 ( -1.766 7.131 0.853) 7.396 6.193 ( -0.711 7.639 -0.583) 7.694 6.358 ( 2.651 -3.213 3.215) 5.262 6.460 ( -0.441 2.252 -0.954) 2.485 6.540 ( -1.015 10.443 -1.193) 10.560 6.618 ( -0.966 -3.037 0.222) 3.194 6.897 ( 0.129 -2.678 -0.804) 2.799 6.974 ( -0.374 -3.226 -0.699) 3.322 7.440 ( -0.132 1.899 -0.412) 1.948 7.919 ( 1.304 2.795 0.501) 3.125 ======================= Grid point 668 (315/324) ======================= q-point: ( 0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -0.000 -8.421 -0.000) 8.421 2.623 ( -0.000 0.093 0.000) 0.093 2.848 ( -0.000 -1.550 0.000) 1.550 3.025 ( -0.000 -10.892 -0.000) 10.892 3.112 ( -0.000 0.219 0.000) 0.219 3.269 ( 0.000 3.257 0.000) 3.257 3.335 ( -0.000 -3.494 -0.000) 3.494 3.785 ( -0.000 -9.499 0.000) 9.499 3.924 ( -0.000 -6.461 0.000) 6.461 4.034 ( -0.000 3.778 0.000) 3.778 4.349 ( -0.000 -6.954 0.000) 6.954 4.414 ( -0.000 0.607 0.000) 0.607 4.564 ( -0.000 -1.261 0.000) 1.261 4.843 ( -0.000 -3.269 0.000) 3.269 5.158 ( -0.000 -0.667 0.000) 0.667 5.302 ( -0.000 3.009 0.000) 3.009 5.341 ( -0.000 0.748 0.000) 0.748 5.635 ( -0.000 -5.557 0.000) 5.557 5.851 ( -0.000 -7.847 0.000) 7.847 5.998 ( -0.000 7.565 0.000) 7.565 6.055 ( -0.000 5.008 0.000) 5.008 6.173 ( -0.000 -2.655 0.000) 2.655 6.307 ( -0.000 9.377 0.000) 9.377 6.422 ( 0.000 -1.662 0.000) 1.662 6.445 ( -0.000 1.935 -0.000) 1.935 6.681 ( -0.000 -3.535 0.000) 3.535 6.945 ( -0.000 -2.241 0.000) 2.241 7.033 ( -0.000 -3.298 0.000) 3.298 7.426 ( -0.000 -0.483 0.000) 0.483 7.850 ( -0.000 4.887 -0.000) 4.887 ======================= Grid point 678 (316/324) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 14.241 0.000 -5.665) 15.326 1.175 ( 7.499 0.000 -19.701) 21.081 1.357 ( 10.280 0.000 -3.520) 10.866 2.117 ( -12.977 -0.000 -2.125) 13.150 2.202 ( -4.389 -0.000 17.744) 18.279 2.584 ( 6.205 0.000 14.268) 15.559 3.039 ( -6.502 -0.000 -14.106) 15.532 3.124 ( -1.115 -0.000 -9.435) 9.501 3.180 ( -1.471 -0.000 -5.333) 5.532 3.618 ( 1.167 0.000 16.713) 16.754 3.865 ( -0.348 -0.000 -8.850) 8.857 4.290 ( -0.290 -0.000 -0.742) 0.796 4.517 ( 1.319 0.000 3.204) 3.465 4.670 ( -0.140 -0.000 -0.309) 0.339 4.955 ( 0.353 0.000 1.564) 1.603 5.025 ( 0.615 0.000 0.225) 0.655 5.169 ( 0.940 0.000 10.261) 10.304 5.413 ( 3.544 0.000 -3.183) 4.764 5.772 ( 2.803 0.000 7.811) 8.299 5.941 ( -4.312 -0.000 -8.690) 9.701 6.166 ( 0.942 0.000 -0.119) 0.950 6.247 ( -5.902 -0.000 -9.757) 11.404 6.360 ( -1.120 -0.000 -0.186) 1.135 6.627 ( 2.650 0.000 -3.547) 4.427 6.704 ( -4.993 -0.000 0.527) 5.021 6.900 ( -4.086 -0.000 -1.630) 4.400 7.038 ( 2.265 0.000 1.532) 2.734 7.394 ( -3.898 -0.000 0.442) 3.923 7.701 ( 8.144 0.000 4.619) 9.362 8.088 ( 0.634 0.000 -4.397) 4.442 ======================= Grid point 679 (317/324) ======================= q-point: ( 0.43 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 5.732 -5.948 -10.968) 13.731 1.232 ( 12.543 -2.698 -5.601) 13.999 1.504 ( 2.358 -18.693 -4.169) 19.297 2.202 ( -6.658 -12.882 0.195) 14.502 2.253 ( -3.952 -3.731 14.042) 15.057 2.752 ( 5.946 -9.273 13.799) 17.656 2.985 ( -5.165 -1.348 -11.707) 12.867 3.078 ( -2.258 -1.030 -8.407) 8.766 3.238 ( -0.541 -5.572 -5.227) 7.659 3.661 ( -0.508 -0.674 13.712) 13.738 3.834 ( 0.038 0.523 -9.218) 9.233 4.371 ( -0.098 -7.496 0.288) 7.502 4.543 ( 1.162 -1.732 2.481) 3.241 4.662 ( -0.645 0.869 -0.393) 1.151 4.972 ( 0.796 -0.733 1.656) 1.978 5.017 ( -0.685 0.382 -0.930) 1.217 5.203 ( 1.190 0.042 7.397) 7.492 5.411 ( 2.610 -0.081 -2.822) 3.844 5.816 ( 3.206 -0.779 6.155) 6.984 5.907 ( -2.225 -0.350 -4.908) 5.400 6.080 ( -4.156 6.049 -5.076) 8.923 6.251 ( -0.919 -4.046 -0.400) 4.169 6.425 ( -1.928 -5.345 -1.619) 5.908 6.617 ( 2.989 1.138 -3.855) 5.009 6.661 ( -3.645 2.285 0.515) 4.333 6.865 ( -4.669 0.802 -2.441) 5.329 7.001 ( 3.381 5.469 2.271) 6.819 7.331 ( -2.613 4.893 0.592) 5.579 7.729 ( 6.393 2.173 3.759) 7.728 8.047 ( 0.616 2.746 -3.966) 4.864 ======================= Grid point 680 (318/324) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 3.786 -1.067 -2.541) 4.683 1.390 ( 2.461 -15.588 -7.075) 17.295 2.006 ( 0.153 -30.237 -2.946) 30.381 2.356 ( -3.029 -6.393 11.877) 13.824 2.462 ( 0.806 -12.338 -1.439) 12.447 2.942 ( 5.036 -3.581 5.557) 8.310 3.018 ( -4.074 -7.621 -3.682) 9.393 3.162 ( 0.588 -9.074 0.697) 9.119 3.330 ( -2.110 -6.861 -7.947) 10.709 3.727 ( -1.239 -3.642 10.455) 11.140 3.817 ( 0.121 -2.159 -9.142) 9.394 4.487 ( 0.807 -2.844 0.907) 3.093 4.622 ( 0.097 0.238 -0.157) 0.301 4.650 ( -0.791 -6.339 1.434) 6.547 4.947 ( -0.272 2.400 -1.395) 2.789 5.052 ( 0.843 -3.485 0.145) 3.589 5.211 ( 0.128 0.001 2.036) 2.040 5.437 ( 1.178 -1.235 0.214) 1.720 5.840 ( -0.055 0.878 1.487) 1.728 5.884 ( -1.712 1.741 -4.466) 5.089 6.003 ( -0.449 -2.228 0.891) 2.441 6.330 ( -0.051 -3.643 3.926) 5.356 6.483 ( -1.957 -1.503 -1.290) 2.784 6.575 ( -1.713 3.872 -2.057) 4.708 6.636 ( 2.298 -1.254 -1.065) 2.826 6.817 ( -2.513 1.819 -3.019) 4.329 6.902 ( 1.436 5.736 1.410) 6.078 7.198 ( -1.423 8.224 0.637) 8.371 7.692 ( 3.157 4.861 1.219) 5.922 7.998 ( 1.561 1.961 -1.588) 2.967 ======================= Grid point 681 (319/324) ======================= q-point: ( 0.57 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -0.148 -7.316 -1.876) 7.554 1.748 ( 0.997 -22.004 -2.089) 22.125 2.506 ( -1.445 -8.684 7.325) 11.452 2.547 ( -1.008 -25.592 -0.231) 25.613 2.610 ( 1.258 -4.264 -4.937) 6.643 3.044 ( 3.396 -5.134 2.313) 6.576 3.214 ( -1.096 -13.996 0.851) 14.065 3.297 ( 2.828 -2.666 8.228) 9.100 3.422 ( -4.035 -5.195 -12.165) 13.830 3.854 ( -0.157 -8.510 7.178) 11.135 3.896 ( -0.096 -7.700 -6.065) 9.802 4.514 ( 0.632 -0.208 0.350) 0.752 4.595 ( -0.749 0.420 -0.636) 1.069 4.719 ( -0.069 2.849 0.409) 2.879 4.988 ( 0.234 -8.509 -0.577) 8.531 5.124 ( 1.812 -3.064 -0.522) 3.597 5.239 ( -1.738 -3.383 0.855) 3.899 5.440 ( -0.282 1.182 -0.144) 1.224 5.779 ( -1.164 3.290 -0.229) 3.497 5.892 ( 0.059 -3.090 -1.046) 3.263 6.099 ( 0.683 -6.012 1.029) 6.138 6.398 ( 2.379 -0.898 7.054) 7.499 6.454 ( -1.252 4.557 0.631) 4.768 6.494 ( -2.190 0.860 -5.417) 5.906 6.628 ( -0.267 4.105 -1.377) 4.338 6.778 ( 1.470 0.514 0.623) 1.678 6.856 ( -1.060 -1.220 -1.490) 2.198 7.019 ( -0.705 10.067 0.088) 10.092 7.597 ( 0.788 5.788 -0.125) 5.843 7.978 ( 1.314 0.994 -0.007) 1.648 ======================= Grid point 682 (320/324) ======================= q-point: ( 0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -0.000 -10.656 -0.000) 10.656 2.184 ( -0.000 -23.498 0.000) 23.498 2.650 ( -0.000 -1.806 -0.000) 1.806 2.664 ( -0.000 -7.503 0.000) 7.503 2.932 ( -0.000 -13.191 0.000) 13.191 3.212 ( -0.000 -11.406 -0.000) 11.406 3.348 ( -0.000 -2.966 -0.000) 2.966 3.409 ( 0.000 0.735 0.000) 0.735 3.508 ( -0.000 -14.001 0.000) 14.001 4.034 ( -0.000 -6.651 -0.000) 6.651 4.037 ( -0.000 -8.305 0.000) 8.305 4.511 ( -0.000 0.797 0.000) 0.797 4.623 ( 0.000 5.557 0.000) 5.557 4.623 ( -0.000 -4.268 -0.000) 4.268 5.163 ( -0.000 -0.531 0.000) 0.531 5.169 ( -0.000 -8.950 -0.000) 8.950 5.339 ( -0.000 -7.432 0.000) 7.432 5.408 ( -0.000 1.784 0.000) 1.784 5.729 ( -0.000 1.371 -0.000) 1.371 5.974 ( -0.000 -5.329 0.000) 5.329 6.207 ( -0.000 -3.969 0.000) 3.969 6.315 ( -0.000 7.183 0.000) 7.183 6.408 ( -0.000 6.753 -0.000) 6.753 6.457 ( -0.000 -1.023 0.000) 1.023 6.574 ( -0.000 -0.645 0.000) 0.645 6.739 ( -0.000 7.795 0.000) 7.795 6.870 ( -0.000 2.023 0.000) 2.023 6.907 ( -0.000 -3.608 0.000) 3.608 7.499 ( -0.000 4.419 0.000) 4.419 7.961 ( -0.000 1.385 -0.000) 1.385 ======================= Grid point 694 (321/324) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 3.916 0.000 -13.372) 13.934 1.155 ( 9.836 0.000 -2.447) 10.136 1.452 ( 8.335 0.000 1.436) 8.458 1.999 ( -8.997 -0.000 -1.442) 9.112 2.235 ( -4.123 -0.000 10.832) 11.590 2.703 ( 4.429 0.000 10.762) 11.638 2.924 ( -3.774 -0.000 -9.764) 10.468 3.063 ( -1.740 -0.000 -8.214) 8.396 3.151 ( -0.550 -0.000 -2.533) 2.592 3.694 ( -0.789 -0.000 12.541) 12.566 3.820 ( 0.637 0.000 -8.990) 9.012 4.285 ( -0.163 -0.000 -0.391) 0.424 4.542 ( 0.888 0.000 1.973) 2.164 4.668 ( -0.034 -0.000 -0.151) 0.155 4.965 ( 0.257 0.000 0.963) 0.997 5.029 ( 0.255 0.000 0.007) 0.255 5.228 ( 0.910 0.000 8.583) 8.631 5.409 ( 0.669 0.000 -5.026) 5.071 5.852 ( 3.432 0.000 2.977) 4.543 5.891 ( 0.947 0.000 3.125) 3.265 6.132 ( -6.799 -0.000 -11.284) 13.174 6.173 ( 0.562 0.000 -0.079) 0.568 6.351 ( -0.663 -0.000 -0.093) 0.669 6.633 ( 2.038 0.000 -3.139) 3.743 6.668 ( -2.799 -0.000 0.628) 2.868 6.849 ( -3.846 -0.000 -0.923) 3.955 7.078 ( 2.610 0.000 2.088) 3.342 7.367 ( -2.035 -0.000 -0.022) 2.035 7.791 ( 5.541 0.000 4.112) 6.900 8.062 ( -1.088 -0.000 -3.963) 4.109 ======================= Grid point 695 (322/324) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 1.804 -6.345 -5.408) 8.530 1.341 ( 9.953 3.315 0.180) 10.491 1.476 ( -4.173 -19.965 -2.047) 20.499 2.168 ( -1.136 -16.684 -0.018) 16.722 2.274 ( -2.522 -3.608 5.981) 7.427 2.863 ( 3.688 -10.523 8.364) 13.939 2.906 ( -1.850 -2.347 -3.893) 4.908 3.012 ( -2.398 0.093 -7.401) 7.780 3.214 ( -0.272 -5.141 -2.089) 5.555 3.714 ( -0.916 -0.243 8.752) 8.803 3.792 ( 0.553 0.820 -7.321) 7.388 4.371 ( -0.039 -7.955 0.083) 7.956 4.561 ( 0.517 -1.602 0.962) 1.939 4.656 ( -0.261 1.290 -0.147) 1.325 4.988 ( 0.709 -1.277 1.362) 1.997 5.005 ( -0.690 1.485 -1.101) 1.973 5.241 ( 0.487 1.195 3.406) 3.642 5.414 ( 0.776 -1.471 -1.765) 2.425 5.851 ( 0.329 0.284 -1.349) 1.418 5.917 ( 3.868 1.335 7.128) 8.219 6.003 ( -5.114 3.912 -7.058) 9.553 6.246 ( -0.120 -5.210 -0.027) 5.212 6.405 ( -0.825 -4.614 -0.750) 4.747 6.625 ( 1.516 0.980 -1.701) 2.480 6.639 ( -1.351 1.808 0.325) 2.280 6.823 ( -2.081 1.009 -0.691) 2.414 7.034 ( 1.354 5.632 1.007) 5.879 7.316 ( -0.898 4.553 0.127) 4.642 7.790 ( 2.665 3.270 1.920) 4.634 8.031 ( -0.291 1.608 -1.971) 2.561 ======================= Grid point 696 (323/324) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.000 0.735 0.000) 0.735 1.384 ( -0.000 -15.786 -0.000) 15.786 1.996 ( -0.000 -30.288 0.000) 30.288 2.373 ( -0.000 -6.624 -0.000) 6.624 2.465 ( -0.000 -12.399 0.000) 12.399 2.977 ( -0.000 -8.496 0.000) 8.496 2.992 ( -0.000 -1.627 0.000) 1.627 3.176 ( -0.000 -15.429 -0.000) 15.429 3.289 ( -0.000 -2.888 0.000) 2.888 3.766 ( 0.000 -4.475 -0.000) 4.475 3.776 ( -0.000 -1.180 0.000) 1.180 4.493 ( -0.000 -3.030 -0.000) 3.030 4.621 ( -0.000 2.022 0.000) 2.022 4.651 ( -0.000 -7.940 0.000) 7.940 4.941 ( -0.000 2.701 0.000) 2.701 5.057 ( -0.000 -4.002 -0.000) 4.002 5.218 ( -0.000 0.947 0.000) 0.947 5.444 ( -0.000 -0.981 0.000) 0.981 5.843 ( -0.000 2.176 0.000) 2.176 5.863 ( -0.000 1.853 0.000) 1.853 6.003 ( -0.000 -4.021 0.000) 4.021 6.343 ( -0.000 -4.736 -0.000) 4.736 6.466 ( -0.000 -1.756 0.000) 1.756 6.562 ( -0.000 4.875 0.000) 4.875 6.646 ( -0.000 -1.460 0.000) 1.460 6.795 ( -0.000 1.085 -0.000) 1.085 6.913 ( -0.000 6.621 0.000) 6.621 7.193 ( -0.000 8.159 0.000) 8.159 7.710 ( -0.000 5.635 0.000) 5.635 8.001 ( -0.000 1.276 0.000) 1.276 ======================= Grid point 711 (324/324) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.000 0.000 -0.000) 0.000 1.199 ( 0.000 0.000 -0.000) 0.000 1.500 ( 0.000 0.000 -0.000) 0.000 1.949 ( 0.000 0.000 -0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 -0.000) 0.000 2.879 ( 0.000 0.000 -0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 -0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 -0.000) 0.000 4.283 ( 0.000 0.000 -0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 -0.000) 0.000 4.968 ( 0.000 0.000 -0.000) 0.000 5.031 ( 0.000 0.000 -0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 -0.000) 0.000 5.851 ( 0.000 0.000 -0.000) 0.000 5.975 ( -0.000 -0.000 -0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 -0.000) 0.000 6.348 ( 0.000 0.000 -0.000) 0.000 6.633 ( 0.000 0.000 -0.000) 0.000 6.659 ( 0.000 0.000 -0.000) 0.000 6.828 ( 0.000 0.000 0.000) 0.000 7.097 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 -0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 8.043 ( -0.000 -0.000 -0.000) 0.000 =================== 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 3/35280 10.0 357.407 315.106 541.060 0.000 140.489 0.000 3/35280 20.0 86.920 186.955 164.280 0.000 37.718 0.000 3/35280 30.0 40.248 106.783 77.608 0.000 18.492 0.000 3/35280 40.0 23.452 67.922 45.423 0.000 11.215 0.000 3/35280 50.0 15.543 47.186 30.278 0.000 7.693 0.000 3/35280 60.0 11.260 35.216 22.066 0.000 5.723 0.000 3/35280 70.0 8.705 27.777 17.146 0.000 4.509 0.000 3/35280 80.0 7.061 22.841 13.960 0.000 3.704 0.000 3/35280 90.0 5.935 19.376 11.763 0.000 3.138 0.000 3/35280 100.0 5.123 16.831 10.169 0.000 2.722 0.000 3/35280 110.0 4.513 14.889 8.965 0.000 2.404 0.000 3/35280 120.0 4.038 13.362 8.024 0.000 2.154 0.000 3/35280 130.0 3.659 12.128 7.270 0.000 1.953 0.000 3/35280 140.0 3.348 11.112 6.651 0.000 1.787 0.000 3/35280 150.0 3.089 10.259 6.133 0.000 1.647 0.000 3/35280 160.0 2.869 9.533 5.694 0.000 1.529 0.000 3/35280 170.0 2.680 8.907 5.316 0.000 1.427 0.000 3/35280 180.0 2.515 8.361 4.987 0.000 1.338 0.000 3/35280 190.0 2.371 7.881 4.698 0.000 1.260 0.000 3/35280 200.0 2.243 7.455 4.442 0.000 1.191 0.000 3/35280 210.0 2.129 7.074 4.214 0.000 1.129 0.000 3/35280 220.0 2.026 6.731 4.009 0.000 1.074 0.000 3/35280 230.0 1.933 6.421 3.823 0.000 1.024 0.000 3/35280 240.0 1.848 6.139 3.654 0.000 0.978 0.000 3/35280 250.0 1.771 5.882 3.501 0.000 0.937 0.000 3/35280 260.0 1.700 5.646 3.359 0.000 0.899 0.000 3/35280 270.0 1.635 5.428 3.230 0.000 0.864 0.000 3/35280 280.0 1.575 5.227 3.110 0.000 0.831 0.000 3/35280 290.0 1.519 5.041 2.998 0.000 0.802 0.000 3/35280 300.0 1.467 4.868 2.895 0.000 0.774 0.000 3/35280 310.0 1.419 4.706 2.799 0.000 0.748 0.000 3/35280 320.0 1.374 4.555 2.709 0.000 0.724 0.000 3/35280 330.0 1.331 4.414 2.625 0.000 0.701 0.000 3/35280 340.0 1.291 4.281 2.546 0.000 0.680 0.000 3/35280 350.0 1.254 4.157 2.471 0.000 0.660 0.000 3/35280 360.0 1.219 4.039 2.401 0.000 0.641 0.000 3/35280 370.0 1.185 3.928 2.335 0.000 0.623 0.000 3/35280 380.0 1.154 3.823 2.273 0.000 0.606 0.000 3/35280 390.0 1.124 3.723 2.213 0.000 0.590 0.000 3/35280 400.0 1.096 3.629 2.157 0.000 0.575 0.000 3/35280 410.0 1.069 3.539 2.104 0.000 0.561 0.000 3/35280 420.0 1.043 3.454 2.053 0.000 0.547 0.000 3/35280 430.0 1.019 3.373 2.005 0.000 0.534 0.000 3/35280 440.0 0.995 3.295 1.959 0.000 0.522 0.000 3/35280 450.0 0.973 3.222 1.915 0.000 0.510 0.000 3/35280 460.0 0.952 3.151 1.873 0.000 0.499 0.000 3/35280 470.0 0.932 3.083 1.832 0.000 0.488 0.000 3/35280 480.0 0.912 3.019 1.794 0.000 0.478 0.000 3/35280 490.0 0.893 2.957 1.757 0.000 0.468 0.000 3/35280 500.0 0.876 2.897 1.722 0.000 0.459 0.000 3/35280 510.0 0.858 2.840 1.688 0.000 0.450 0.000 3/35280 520.0 0.842 2.785 1.655 0.000 0.441 0.000 3/35280 530.0 0.826 2.732 1.624 0.000 0.432 0.000 3/35280 540.0 0.811 2.681 1.593 0.000 0.424 0.000 3/35280 550.0 0.796 2.632 1.564 0.000 0.416 0.000 3/35280 560.0 0.782 2.585 1.536 0.000 0.409 0.000 3/35280 570.0 0.768 2.540 1.509 0.000 0.402 0.000 3/35280 580.0 0.755 2.496 1.483 0.000 0.395 0.000 3/35280 590.0 0.742 2.453 1.458 0.000 0.388 0.000 3/35280 600.0 0.730 2.412 1.433 0.000 0.382 0.000 3/35280 610.0 0.718 2.373 1.410 0.000 0.375 0.000 3/35280 620.0 0.706 2.334 1.387 0.000 0.369 0.000 3/35280 630.0 0.695 2.297 1.365 0.000 0.363 0.000 3/35280 640.0 0.684 2.261 1.344 0.000 0.358 0.000 3/35280 650.0 0.673 2.226 1.323 0.000 0.352 0.000 3/35280 660.0 0.663 2.192 1.303 0.000 0.347 0.000 3/35280 670.0 0.653 2.160 1.283 0.000 0.341 0.000 3/35280 680.0 0.644 2.128 1.264 0.000 0.336 0.000 3/35280 690.0 0.634 2.097 1.246 0.000 0.331 0.000 3/35280 700.0 0.625 2.067 1.228 0.000 0.327 0.000 3/35280 710.0 0.617 2.038 1.211 0.000 0.322 0.000 3/35280 720.0 0.608 2.010 1.194 0.000 0.318 0.000 3/35280 730.0 0.600 1.982 1.178 0.000 0.313 0.000 3/35280 740.0 0.592 1.955 1.162 0.000 0.309 0.000 3/35280 750.0 0.584 1.929 1.146 0.000 0.305 0.000 3/35280 760.0 0.576 1.904 1.131 0.000 0.301 0.000 3/35280 770.0 0.569 1.879 1.116 0.000 0.297 0.000 3/35280 780.0 0.561 1.855 1.102 0.000 0.293 0.000 3/35280 790.0 0.554 1.831 1.088 0.000 0.289 0.000 3/35280 800.0 0.547 1.809 1.075 0.000 0.286 0.000 3/35280 810.0 0.541 1.786 1.061 0.000 0.282 0.000 3/35280 820.0 0.534 1.764 1.048 0.000 0.279 0.000 3/35280 830.0 0.528 1.743 1.036 0.000 0.275 0.000 3/35280 840.0 0.521 1.722 1.023 0.000 0.272 0.000 3/35280 850.0 0.515 1.702 1.011 0.000 0.269 0.000 3/35280 860.0 0.509 1.682 1.000 0.000 0.266 0.000 3/35280 870.0 0.504 1.663 0.988 0.000 0.263 0.000 3/35280 880.0 0.498 1.644 0.977 0.000 0.260 0.000 3/35280 890.0 0.492 1.626 0.966 0.000 0.257 0.000 3/35280 900.0 0.487 1.608 0.955 0.000 0.254 0.000 3/35280 910.0 0.481 1.590 0.945 0.000 0.251 0.000 3/35280 920.0 0.476 1.573 0.934 0.000 0.248 0.000 3/35280 930.0 0.471 1.556 0.924 0.000 0.246 0.000 3/35280 940.0 0.466 1.539 0.915 0.000 0.243 0.000 3/35280 950.0 0.461 1.523 0.905 0.000 0.241 0.000 3/35280 960.0 0.456 1.507 0.896 0.000 0.238 0.000 3/35280 970.0 0.452 1.492 0.886 0.000 0.236 0.000 3/35280 980.0 0.447 1.477 0.877 0.000 0.233 0.000 3/35280 990.0 0.443 1.462 0.868 0.000 0.231 0.000 3/35280 1000.0 0.438 1.447 0.860 0.000 0.228 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m14146.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:33:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|