----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:42:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.786536839459728 1.608807794368880 4.483865889999994 b -2.786536839459723 1.608807794368880 4.483865889999994 c 0.000000000000003 -3.217615588737764 4.483865889999994 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *2 Na 0.26948679067887 0.26948679067888 0.26948679067887 22.990 3 Na 0.73051320932113 0.73051320932113 0.73051320932113 22.990 *4 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 *5 F 0.29498539762427 0.82069322328333 0.62092567881518 18.998 6 F 0.37907432118482 0.70501460237574 0.17930677671667 18.998 7 F 0.17930677671667 0.37907432118482 0.70501460237573 18.998 8 F 0.82069322328333 0.62092567881518 0.29498539762427 18.998 9 F 0.62092567881518 0.29498539762427 0.82069322328333 18.998 10 F 0.70501460237573 0.17930677671667 0.37907432118482 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.573073678919451 0.000000000000000 0.000000000000000 b -2.786536839459726 4.826423383106644 0.000000000000000 c 0.000000000000000 0.000000000000000 13.451597669999998 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 *2 Na 0.66666666666667 0.33333333333333 0.60282012401221 22.990 > 2 3 Na 0.66666666666667 0.33333333333333 0.06384654265446 22.990 > 3 4 Na 0.66666666666667 0.33333333333333 0.33333333333333 22.990 > 1 5 Na 0.33333333333333 0.66666666666667 0.93615345734554 22.990 > 2 6 Na 0.33333333333333 0.66666666666667 0.39717987598779 22.990 > 3 7 Na 0.33333333333333 0.66666666666667 0.66666666666667 22.990 > 1 8 Na 0.00000000000000 0.00000000000000 0.26948679067887 22.990 > 2 9 Na 0.00000000000000 0.00000000000000 0.73051320932112 22.990 > 3 *10 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 4 11 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 4 12 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 4 *13 F 0.38278396438334 0.29127575442574 0.91220143324092 18.998 > 5 14 F 0.62460908775908 0.57515845670907 0.75446523342574 18.998 > 6 15 F 0.42484154329093 0.04945063105001 0.75446523342574 18.998 > 7 16 F 0.90849179004240 0.61721603561666 0.91220143324092 18.998 > 8 17 F 0.70872424557425 0.09150820995760 0.91220143324092 18.998 > 9 18 F 0.95054936894999 0.37539091224092 0.75446523342574 18.998 > 10 19 F 0.04945063105001 0.62460908775908 0.24553476657426 18.998 > 5 20 F 0.29127575442574 0.90849179004240 0.08779856675908 18.998 > 6 21 F 0.09150820995760 0.38278396438334 0.08779856675908 18.998 > 7 22 F 0.57515845670907 0.95054936894999 0.24553476657426 18.998 > 8 23 F 0.37539091224092 0.42484154329093 0.24553476657426 18.998 > 9 24 F 0.61721603561666 0.70872424557425 0.08779856675908 18.998 > 10 25 F 0.71611729771667 0.95794242109241 0.57886809990759 18.998 > 5 26 F 0.95794242109241 0.24182512337574 0.42113190009241 18.998 > 6 27 F 0.75817487662426 0.71611729771667 0.42113190009241 18.998 > 7 28 F 0.24182512337574 0.28388270228333 0.57886809990759 18.998 > 8 29 F 0.04205757890759 0.75817487662426 0.57886809990759 18.998 > 9 30 F 0.28388270228333 0.04205757890759 0.42113190009241 18.998 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.146147357838903 0.000000000000000 0.000000000000000 b -5.573073678919452 9.652846766213289 0.000000000000000 c 0.000000000000000 0.000000000000000 13.451597669999998 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 *5 Na 0.33333333333333 0.16666666666667 0.60282012401221 22.990 > 2 6 Na 0.83333333333333 0.16666666666667 0.60282012401221 22.990 > 2 7 Na 0.33333333333333 0.66666666666667 0.60282012401221 22.990 > 2 8 Na 0.83333333333333 0.66666666666667 0.60282012401221 22.990 > 2 9 Na 0.33333333333333 0.16666666666667 0.06384654265446 22.990 > 3 10 Na 0.83333333333333 0.16666666666667 0.06384654265446 22.990 > 3 11 Na 0.33333333333333 0.66666666666667 0.06384654265446 22.990 > 3 12 Na 0.83333333333333 0.66666666666667 0.06384654265446 22.990 > 3 13 Na 0.33333333333333 0.16666666666667 0.33333333333333 22.990 > 1 14 Na 0.83333333333333 0.16666666666667 0.33333333333333 22.990 > 1 15 Na 0.33333333333333 0.66666666666667 0.33333333333333 22.990 > 1 16 Na 0.83333333333333 0.66666666666667 0.33333333333333 22.990 > 1 17 Na 0.16666666666667 0.33333333333333 0.93615345734554 22.990 > 2 18 Na 0.66666666666667 0.33333333333333 0.93615345734554 22.990 > 2 19 Na 0.16666666666667 0.83333333333333 0.93615345734554 22.990 > 2 20 Na 0.66666666666667 0.83333333333333 0.93615345734554 22.990 > 2 21 Na 0.16666666666667 0.33333333333333 0.39717987598779 22.990 > 3 22 Na 0.66666666666667 0.33333333333333 0.39717987598779 22.990 > 3 23 Na 0.16666666666667 0.83333333333333 0.39717987598779 22.990 > 3 24 Na 0.66666666666667 0.83333333333333 0.39717987598779 22.990 > 3 25 Na 0.16666666666667 0.33333333333333 0.66666666666667 22.990 > 1 26 Na 0.66666666666667 0.33333333333333 0.66666666666667 22.990 > 1 27 Na 0.16666666666667 0.83333333333333 0.66666666666667 22.990 > 1 28 Na 0.66666666666667 0.83333333333333 0.66666666666667 22.990 > 1 29 Na 0.00000000000000 0.00000000000000 0.26948679067887 22.990 > 2 30 Na 0.50000000000000 0.00000000000000 0.26948679067887 22.990 > 2 31 Na 0.00000000000000 0.50000000000000 0.26948679067887 22.990 > 2 32 Na 0.50000000000000 0.50000000000000 0.26948679067887 22.990 > 2 33 Na 0.00000000000000 0.00000000000000 0.73051320932112 22.990 > 3 34 Na 0.50000000000000 0.00000000000000 0.73051320932112 22.990 > 3 35 Na 0.00000000000000 0.50000000000000 0.73051320932112 22.990 > 3 36 Na 0.50000000000000 0.50000000000000 0.73051320932112 22.990 > 3 *37 Al 0.33333333333333 0.16666666666667 0.83333333333333 26.982 > 4 38 Al 0.83333333333333 0.16666666666667 0.83333333333333 26.982 > 4 39 Al 0.33333333333333 0.66666666666667 0.83333333333333 26.982 > 4 40 Al 0.83333333333333 0.66666666666667 0.83333333333333 26.982 > 4 41 Al 0.16666666666667 0.33333333333333 0.16666666666667 26.982 > 4 42 Al 0.66666666666667 0.33333333333333 0.16666666666667 26.982 > 4 43 Al 0.16666666666667 0.83333333333333 0.16666666666667 26.982 > 4 44 Al 0.66666666666667 0.83333333333333 0.16666666666667 26.982 > 4 45 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 4 46 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 4 47 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 4 48 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 4 *49 F 0.19139198219167 0.14563787721287 0.91220143324092 18.998 > 5 50 F 0.69139198219167 0.14563787721287 0.91220143324092 18.998 > 5 51 F 0.19139198219167 0.64563787721287 0.91220143324092 18.998 > 5 52 F 0.69139198219167 0.64563787721287 0.91220143324092 18.998 > 5 53 F 0.31230454387954 0.28757922835453 0.75446523342574 18.998 > 6 54 F 0.81230454387954 0.28757922835453 0.75446523342574 18.998 > 6 55 F 0.31230454387954 0.78757922835453 0.75446523342574 18.998 > 6 56 F 0.81230454387954 0.78757922835453 0.75446523342574 18.998 > 6 57 F 0.21242077164546 0.02472531552500 0.75446523342574 18.998 > 7 58 F 0.71242077164546 0.02472531552500 0.75446523342574 18.998 > 7 59 F 0.21242077164546 0.52472531552500 0.75446523342574 18.998 > 7 60 F 0.71242077164546 0.52472531552500 0.75446523342574 18.998 > 7 61 F 0.45424589502120 0.30860801780833 0.91220143324092 18.998 > 8 62 F 0.95424589502120 0.30860801780833 0.91220143324092 18.998 > 8 63 F 0.45424589502120 0.80860801780833 0.91220143324092 18.998 > 8 64 F 0.95424589502120 0.80860801780833 0.91220143324092 18.998 > 8 65 F 0.35436212278713 0.04575410497880 0.91220143324092 18.998 > 9 66 F 0.85436212278713 0.04575410497880 0.91220143324092 18.998 > 9 67 F 0.35436212278713 0.54575410497880 0.91220143324092 18.998 > 9 68 F 0.85436212278713 0.54575410497880 0.91220143324092 18.998 > 9 69 F 0.47527468447500 0.18769545612046 0.75446523342574 18.998 > 10 70 F 0.97527468447500 0.18769545612046 0.75446523342574 18.998 > 10 71 F 0.47527468447500 0.68769545612046 0.75446523342574 18.998 > 10 72 F 0.97527468447500 0.68769545612046 0.75446523342574 18.998 > 10 73 F 0.02472531552500 0.31230454387954 0.24553476657426 18.998 > 5 74 F 0.52472531552500 0.31230454387954 0.24553476657426 18.998 > 5 75 F 0.02472531552500 0.81230454387954 0.24553476657426 18.998 > 5 76 F 0.52472531552500 0.81230454387954 0.24553476657426 18.998 > 5 77 F 0.14563787721287 0.45424589502120 0.08779856675908 18.998 > 6 78 F 0.64563787721287 0.45424589502120 0.08779856675908 18.998 > 6 79 F 0.14563787721287 0.95424589502120 0.08779856675908 18.998 > 6 80 F 0.64563787721287 0.95424589502120 0.08779856675908 18.998 > 6 81 F 0.04575410497880 0.19139198219167 0.08779856675908 18.998 > 7 82 F 0.54575410497880 0.19139198219167 0.08779856675908 18.998 > 7 83 F 0.04575410497880 0.69139198219167 0.08779856675908 18.998 > 7 84 F 0.54575410497880 0.69139198219167 0.08779856675908 18.998 > 7 85 F 0.28757922835453 0.47527468447500 0.24553476657426 18.998 > 8 86 F 0.78757922835453 0.47527468447500 0.24553476657426 18.998 > 8 87 F 0.28757922835453 0.97527468447500 0.24553476657426 18.998 > 8 88 F 0.78757922835453 0.97527468447500 0.24553476657426 18.998 > 8 89 F 0.18769545612046 0.21242077164546 0.24553476657426 18.998 > 9 90 F 0.68769545612046 0.21242077164546 0.24553476657426 18.998 > 9 91 F 0.18769545612046 0.71242077164546 0.24553476657426 18.998 > 9 92 F 0.68769545612046 0.71242077164546 0.24553476657426 18.998 > 9 93 F 0.30860801780833 0.35436212278713 0.08779856675908 18.998 > 10 94 F 0.80860801780833 0.35436212278713 0.08779856675908 18.998 > 10 95 F 0.30860801780833 0.85436212278713 0.08779856675908 18.998 > 10 96 F 0.80860801780833 0.85436212278713 0.08779856675908 18.998 > 10 97 F 0.35805864885834 0.47897121054621 0.57886809990759 18.998 > 5 98 F 0.85805864885834 0.47897121054621 0.57886809990759 18.998 > 5 99 F 0.35805864885834 0.97897121054621 0.57886809990759 18.998 > 5 100 F 0.85805864885834 0.97897121054621 0.57886809990759 18.998 > 5 101 F 0.47897121054621 0.12091256168787 0.42113190009241 18.998 > 6 102 F 0.97897121054621 0.12091256168787 0.42113190009241 18.998 > 6 103 F 0.47897121054621 0.62091256168787 0.42113190009241 18.998 > 6 104 F 0.97897121054621 0.62091256168787 0.42113190009241 18.998 > 6 105 F 0.37908743831213 0.35805864885834 0.42113190009241 18.998 > 7 106 F 0.87908743831213 0.35805864885834 0.42113190009241 18.998 > 7 107 F 0.37908743831213 0.85805864885834 0.42113190009241 18.998 > 7 108 F 0.87908743831213 0.85805864885834 0.42113190009241 18.998 > 7 109 F 0.12091256168787 0.14194135114166 0.57886809990759 18.998 > 8 110 F 0.62091256168787 0.14194135114166 0.57886809990759 18.998 > 8 111 F 0.12091256168787 0.64194135114166 0.57886809990759 18.998 > 8 112 F 0.62091256168787 0.64194135114166 0.57886809990759 18.998 > 8 113 F 0.02102878945379 0.37908743831213 0.57886809990759 18.998 > 9 114 F 0.52102878945379 0.37908743831213 0.57886809990759 18.998 > 9 115 F 0.02102878945379 0.87908743831213 0.57886809990759 18.998 > 9 116 F 0.52102878945379 0.87908743831213 0.57886809990759 18.998 > 9 117 F 0.14194135114166 0.02102878945379 0.42113190009241 18.998 > 10 118 F 0.64194135114166 0.02102878945379 0.42113190009241 18.998 > 10 119 F 0.14194135114166 0.52102878945379 0.42113190009241 18.998 > 10 120 F 0.64194135114166 0.52102878945379 0.42113190009241 18.998 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.8761546 0.0000000 0.0000000 -0.0000000 1.8761546 0.0000000 0.0000000 0.0000000 1.8871911 -------------------------- Born effective charges -------------------------- 1 Na 1.0724441 0.0253216 0.0000000 -0.0253216 1.0724441 -0.0000000 0.0000000 0.0000000 1.0134170 2 Na 1.0591889 -0.0081732 0.0000000 0.0081732 1.0591889 -0.0000000 0.0000000 0.0000000 1.0911240 3 Na 1.0591889 -0.0081732 0.0000000 0.0081732 1.0591889 -0.0000000 0.0000000 0.0000000 1.0911240 4 Al 2.6086123 -0.0010783 0.0000000 0.0010783 2.6086123 -0.0000000 0.0000000 0.0000000 2.7092680 5 F -1.0978326 -0.0319977 0.1846920 -0.0293655 -0.8353122 0.0243015 0.1898591 0.0245720 -0.9841555 6 F -0.9275133 0.1276994 -0.1133917 0.1303316 -1.0056315 0.1477972 -0.1162096 0.1521368 -0.9841555 7 F -0.8743712 -0.0996500 -0.0713002 -0.0970178 -1.0587735 -0.1720987 -0.0736496 -0.1767088 -0.9841555 8 F -0.8743712 -0.0996500 -0.0713002 -0.0970178 -1.0587735 -0.1720987 -0.0736496 -0.1767088 -0.9841555 9 F -0.9275133 0.1276994 -0.1133917 0.1303316 -1.0056315 0.1477972 -0.1162096 0.1521368 -0.9841555 10 F -1.0978326 -0.0319977 0.1846920 -0.0293655 -0.8353122 0.0243015 0.1898591 0.0245720 -0.9841555 ---------------------------------------------------------------------------- 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: 7176/7176 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 476 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 126 Use standard eigh solver. Tree of FC basis block matrices: - (952, 935), data: False |-- (126, 122), data: True |-- (388, 384), data: True |-- (438, 429), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.015 Solver_block: 100 / 240 - Time: 1.102 Solver_block: 200 / 240 - Time: 1.067 Solver_block: 240 / 240 - Time: 0.485 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.683 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 7176/7176 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 476 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 126 Use standard eigh solver. Tree of FC basis block matrices: - (952, 935), data: False |-- (126, 122), data: True |-- (388, 384), data: True |-- (438, 429), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:42:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:42:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.786536839459728 1.608807794368880 4.483865889999994 b -2.786536839459723 1.608807794368880 4.483865889999994 c 0.000000000000003 -3.217615588737764 4.483865889999994 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Na 0.26948679067887 0.26948679067888 0.26948679067887 22.990 3 Na 0.73051320932113 0.73051320932113 0.73051320932113 22.990 4 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 5 F 0.29498539762427 0.82069322328333 0.62092567881518 18.998 6 F 0.37907432118482 0.70501460237574 0.17930677671667 18.998 7 F 0.17930677671667 0.37907432118482 0.70501460237573 18.998 8 F 0.82069322328333 0.62092567881518 0.29498539762427 18.998 9 F 0.62092567881518 0.29498539762427 0.82069322328333 18.998 10 F 0.70501460237573 0.17930677671667 0.37907432118482 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.146147357838903 0.000000000000000 0.000000000000000 b -5.573073678919452 9.652846766213289 0.000000000000000 c 0.000000000000000 0.000000000000000 13.451597669999998 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 5 Na 0.33333333333333 0.16666666666667 0.60282012401221 22.990 > 5 6 Na 0.83333333333333 0.16666666666667 0.60282012401221 22.990 > 5 7 Na 0.33333333333333 0.66666666666667 0.60282012401221 22.990 > 5 8 Na 0.83333333333333 0.66666666666667 0.60282012401221 22.990 > 5 9 Na 0.33333333333333 0.16666666666667 0.06384654265446 22.990 > 9 10 Na 0.83333333333333 0.16666666666667 0.06384654265446 22.990 > 9 11 Na 0.33333333333333 0.66666666666667 0.06384654265446 22.990 > 9 12 Na 0.83333333333333 0.66666666666667 0.06384654265446 22.990 > 9 13 Na 0.33333333333333 0.16666666666667 0.33333333333333 22.990 > 1 14 Na 0.83333333333333 0.16666666666667 0.33333333333333 22.990 > 1 15 Na 0.33333333333333 0.66666666666667 0.33333333333333 22.990 > 1 16 Na 0.83333333333333 0.66666666666667 0.33333333333333 22.990 > 1 17 Na 0.16666666666667 0.33333333333333 0.93615345734554 22.990 > 5 18 Na 0.66666666666667 0.33333333333333 0.93615345734554 22.990 > 5 19 Na 0.16666666666667 0.83333333333333 0.93615345734554 22.990 > 5 20 Na 0.66666666666667 0.83333333333333 0.93615345734554 22.990 > 5 21 Na 0.16666666666667 0.33333333333333 0.39717987598779 22.990 > 9 22 Na 0.66666666666667 0.33333333333333 0.39717987598779 22.990 > 9 23 Na 0.16666666666667 0.83333333333333 0.39717987598779 22.990 > 9 24 Na 0.66666666666667 0.83333333333333 0.39717987598779 22.990 > 9 25 Na 0.16666666666667 0.33333333333333 0.66666666666667 22.990 > 1 26 Na 0.66666666666667 0.33333333333333 0.66666666666667 22.990 > 1 27 Na 0.16666666666667 0.83333333333333 0.66666666666667 22.990 > 1 28 Na 0.66666666666667 0.83333333333333 0.66666666666667 22.990 > 1 29 Na 0.00000000000000 0.00000000000000 0.26948679067887 22.990 > 5 30 Na 0.50000000000000 0.00000000000000 0.26948679067887 22.990 > 5 31 Na 0.00000000000000 0.50000000000000 0.26948679067887 22.990 > 5 32 Na 0.50000000000000 0.50000000000000 0.26948679067887 22.990 > 5 33 Na 0.00000000000000 0.00000000000000 0.73051320932112 22.990 > 9 34 Na 0.50000000000000 0.00000000000000 0.73051320932112 22.990 > 9 35 Na 0.00000000000000 0.50000000000000 0.73051320932112 22.990 > 9 36 Na 0.50000000000000 0.50000000000000 0.73051320932112 22.990 > 9 37 Al 0.33333333333333 0.16666666666667 0.83333333333333 26.982 > 37 38 Al 0.83333333333333 0.16666666666667 0.83333333333333 26.982 > 37 39 Al 0.33333333333333 0.66666666666667 0.83333333333333 26.982 > 37 40 Al 0.83333333333333 0.66666666666667 0.83333333333333 26.982 > 37 41 Al 0.16666666666667 0.33333333333333 0.16666666666667 26.982 > 37 42 Al 0.66666666666667 0.33333333333333 0.16666666666667 26.982 > 37 43 Al 0.16666666666667 0.83333333333333 0.16666666666667 26.982 > 37 44 Al 0.66666666666667 0.83333333333333 0.16666666666667 26.982 > 37 45 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 37 46 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 37 47 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 37 48 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 37 49 F 0.19139198219167 0.14563787721287 0.91220143324092 18.998 > 49 50 F 0.69139198219167 0.14563787721287 0.91220143324092 18.998 > 49 51 F 0.19139198219167 0.64563787721287 0.91220143324092 18.998 > 49 52 F 0.69139198219167 0.64563787721287 0.91220143324092 18.998 > 49 53 F 0.31230454387954 0.28757922835453 0.75446523342574 18.998 > 53 54 F 0.81230454387954 0.28757922835453 0.75446523342574 18.998 > 53 55 F 0.31230454387954 0.78757922835453 0.75446523342574 18.998 > 53 56 F 0.81230454387954 0.78757922835453 0.75446523342574 18.998 > 53 57 F 0.21242077164546 0.02472531552500 0.75446523342574 18.998 > 57 58 F 0.71242077164546 0.02472531552500 0.75446523342574 18.998 > 57 59 F 0.21242077164546 0.52472531552500 0.75446523342574 18.998 > 57 60 F 0.71242077164546 0.52472531552500 0.75446523342574 18.998 > 57 61 F 0.45424589502120 0.30860801780833 0.91220143324092 18.998 > 61 62 F 0.95424589502120 0.30860801780833 0.91220143324092 18.998 > 61 63 F 0.45424589502120 0.80860801780833 0.91220143324092 18.998 > 61 64 F 0.95424589502120 0.80860801780833 0.91220143324092 18.998 > 61 65 F 0.35436212278713 0.04575410497880 0.91220143324092 18.998 > 65 66 F 0.85436212278713 0.04575410497880 0.91220143324092 18.998 > 65 67 F 0.35436212278713 0.54575410497880 0.91220143324092 18.998 > 65 68 F 0.85436212278713 0.54575410497880 0.91220143324092 18.998 > 65 69 F 0.47527468447500 0.18769545612046 0.75446523342574 18.998 > 69 70 F 0.97527468447500 0.18769545612046 0.75446523342574 18.998 > 69 71 F 0.47527468447500 0.68769545612046 0.75446523342574 18.998 > 69 72 F 0.97527468447500 0.68769545612046 0.75446523342574 18.998 > 69 73 F 0.02472531552500 0.31230454387954 0.24553476657426 18.998 > 49 74 F 0.52472531552500 0.31230454387954 0.24553476657426 18.998 > 49 75 F 0.02472531552500 0.81230454387954 0.24553476657426 18.998 > 49 76 F 0.52472531552500 0.81230454387954 0.24553476657426 18.998 > 49 77 F 0.14563787721287 0.45424589502120 0.08779856675908 18.998 > 53 78 F 0.64563787721287 0.45424589502120 0.08779856675908 18.998 > 53 79 F 0.14563787721287 0.95424589502120 0.08779856675908 18.998 > 53 80 F 0.64563787721287 0.95424589502120 0.08779856675908 18.998 > 53 81 F 0.04575410497880 0.19139198219167 0.08779856675908 18.998 > 57 82 F 0.54575410497880 0.19139198219167 0.08779856675908 18.998 > 57 83 F 0.04575410497880 0.69139198219167 0.08779856675908 18.998 > 57 84 F 0.54575410497880 0.69139198219167 0.08779856675908 18.998 > 57 85 F 0.28757922835453 0.47527468447500 0.24553476657426 18.998 > 61 86 F 0.78757922835453 0.47527468447500 0.24553476657426 18.998 > 61 87 F 0.28757922835453 0.97527468447500 0.24553476657426 18.998 > 61 88 F 0.78757922835453 0.97527468447500 0.24553476657426 18.998 > 61 89 F 0.18769545612046 0.21242077164546 0.24553476657426 18.998 > 65 90 F 0.68769545612046 0.21242077164546 0.24553476657426 18.998 > 65 91 F 0.18769545612046 0.71242077164546 0.24553476657426 18.998 > 65 92 F 0.68769545612046 0.71242077164546 0.24553476657426 18.998 > 65 93 F 0.30860801780833 0.35436212278713 0.08779856675908 18.998 > 69 94 F 0.80860801780833 0.35436212278713 0.08779856675908 18.998 > 69 95 F 0.30860801780833 0.85436212278713 0.08779856675908 18.998 > 69 96 F 0.80860801780833 0.85436212278713 0.08779856675908 18.998 > 69 97 F 0.35805864885834 0.47897121054621 0.57886809990759 18.998 > 49 98 F 0.85805864885834 0.47897121054621 0.57886809990759 18.998 > 49 99 F 0.35805864885834 0.97897121054621 0.57886809990759 18.998 > 49 100 F 0.85805864885834 0.97897121054621 0.57886809990759 18.998 > 49 101 F 0.47897121054621 0.12091256168787 0.42113190009241 18.998 > 53 102 F 0.97897121054621 0.12091256168787 0.42113190009241 18.998 > 53 103 F 0.47897121054621 0.62091256168787 0.42113190009241 18.998 > 53 104 F 0.97897121054621 0.62091256168787 0.42113190009241 18.998 > 53 105 F 0.37908743831213 0.35805864885834 0.42113190009241 18.998 > 57 106 F 0.87908743831213 0.35805864885834 0.42113190009241 18.998 > 57 107 F 0.37908743831213 0.85805864885834 0.42113190009241 18.998 > 57 108 F 0.87908743831213 0.85805864885834 0.42113190009241 18.998 > 57 109 F 0.12091256168787 0.14194135114166 0.57886809990759 18.998 > 61 110 F 0.62091256168787 0.14194135114166 0.57886809990759 18.998 > 61 111 F 0.12091256168787 0.64194135114166 0.57886809990759 18.998 > 61 112 F 0.62091256168787 0.64194135114166 0.57886809990759 18.998 > 61 113 F 0.02102878945379 0.37908743831213 0.57886809990759 18.998 > 65 114 F 0.52102878945379 0.37908743831213 0.57886809990759 18.998 > 65 115 F 0.02102878945379 0.87908743831213 0.57886809990759 18.998 > 65 116 F 0.52102878945379 0.87908743831213 0.57886809990759 18.998 > 65 117 F 0.14194135114166 0.02102878945379 0.42113190009241 18.998 > 69 118 F 0.64194135114166 0.02102878945379 0.42113190009241 18.998 > 69 119 F 0.14194135114166 0.52102878945379 0.42113190009241 18.998 > 69 120 F 0.64194135114166 0.52102878945379 0.42113190009241 18.998 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.8761546 0.0000000 0.0000000 -0.0000000 1.8761546 0.0000000 0.0000000 0.0000000 1.8871911 -------------------------- Born effective charges -------------------------- 1 Na 1.0724441 0.0253216 0.0000000 -0.0253216 1.0724441 -0.0000000 0.0000000 0.0000000 1.0134170 2 Na 1.0591889 -0.0081732 0.0000000 0.0081732 1.0591889 -0.0000000 0.0000000 0.0000000 1.0911240 3 Na 1.0591889 -0.0081732 0.0000000 0.0081732 1.0591889 -0.0000000 0.0000000 0.0000000 1.0911240 4 Al 2.6086123 -0.0010783 0.0000000 0.0010783 2.6086123 -0.0000000 0.0000000 0.0000000 2.7092680 5 F -1.0978326 -0.0319977 0.1846920 -0.0293655 -0.8353122 0.0243015 0.1898591 0.0245720 -0.9841555 6 F -0.9275133 0.1276994 -0.1133917 0.1303316 -1.0056315 0.1477972 -0.1162096 0.1521368 -0.9841555 7 F -0.8743712 -0.0996500 -0.0713002 -0.0970178 -1.0587735 -0.1720987 -0.0736496 -0.1767088 -0.9841555 8 F -0.8743712 -0.0996500 -0.0713002 -0.0970178 -1.0587735 -0.1720987 -0.0736496 -0.1767088 -0.9841555 9 F -0.9275133 0.1276994 -0.1133917 0.1303316 -1.0056315 0.1477972 -0.1162096 0.1521368 -0.9841555 10 F -1.0978326 -0.0319977 0.1846920 -0.0293655 -0.8353122 0.0243015 0.1898591 0.0245720 -0.9841555 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zxx) -0.00000001 (zxx) -0.00000001 (zxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (xy) -0.00000005 (xy) 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 21:42:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:42:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.786536839459728 1.608807794368880 4.483865889999994 b -2.786536839459723 1.608807794368880 4.483865889999994 c 0.000000000000003 -3.217615588737764 4.483865889999994 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Na 0.26948679067887 0.26948679067888 0.26948679067887 22.990 3 Na 0.73051320932113 0.73051320932113 0.73051320932113 22.990 4 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 5 F 0.29498539762427 0.82069322328333 0.62092567881518 18.998 6 F 0.37907432118482 0.70501460237574 0.17930677671667 18.998 7 F 0.17930677671667 0.37907432118482 0.70501460237573 18.998 8 F 0.82069322328333 0.62092567881518 0.29498539762427 18.998 9 F 0.62092567881518 0.29498539762427 0.82069322328333 18.998 10 F 0.70501460237573 0.17930677671667 0.37907432118482 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.146147357838903 0.000000000000000 0.000000000000000 b -5.573073678919452 9.652846766213289 0.000000000000000 c 0.000000000000000 0.000000000000000 13.451597669999998 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 5 Na 0.33333333333333 0.16666666666667 0.60282012401221 22.990 > 5 6 Na 0.83333333333333 0.16666666666667 0.60282012401221 22.990 > 5 7 Na 0.33333333333333 0.66666666666667 0.60282012401221 22.990 > 5 8 Na 0.83333333333333 0.66666666666667 0.60282012401221 22.990 > 5 9 Na 0.33333333333333 0.16666666666667 0.06384654265446 22.990 > 9 10 Na 0.83333333333333 0.16666666666667 0.06384654265446 22.990 > 9 11 Na 0.33333333333333 0.66666666666667 0.06384654265446 22.990 > 9 12 Na 0.83333333333333 0.66666666666667 0.06384654265446 22.990 > 9 13 Na 0.33333333333333 0.16666666666667 0.33333333333333 22.990 > 1 14 Na 0.83333333333333 0.16666666666667 0.33333333333333 22.990 > 1 15 Na 0.33333333333333 0.66666666666667 0.33333333333333 22.990 > 1 16 Na 0.83333333333333 0.66666666666667 0.33333333333333 22.990 > 1 17 Na 0.16666666666667 0.33333333333333 0.93615345734554 22.990 > 5 18 Na 0.66666666666667 0.33333333333333 0.93615345734554 22.990 > 5 19 Na 0.16666666666667 0.83333333333333 0.93615345734554 22.990 > 5 20 Na 0.66666666666667 0.83333333333333 0.93615345734554 22.990 > 5 21 Na 0.16666666666667 0.33333333333333 0.39717987598779 22.990 > 9 22 Na 0.66666666666667 0.33333333333333 0.39717987598779 22.990 > 9 23 Na 0.16666666666667 0.83333333333333 0.39717987598779 22.990 > 9 24 Na 0.66666666666667 0.83333333333333 0.39717987598779 22.990 > 9 25 Na 0.16666666666667 0.33333333333333 0.66666666666667 22.990 > 1 26 Na 0.66666666666667 0.33333333333333 0.66666666666667 22.990 > 1 27 Na 0.16666666666667 0.83333333333333 0.66666666666667 22.990 > 1 28 Na 0.66666666666667 0.83333333333333 0.66666666666667 22.990 > 1 29 Na 0.00000000000000 0.00000000000000 0.26948679067887 22.990 > 5 30 Na 0.50000000000000 0.00000000000000 0.26948679067887 22.990 > 5 31 Na 0.00000000000000 0.50000000000000 0.26948679067887 22.990 > 5 32 Na 0.50000000000000 0.50000000000000 0.26948679067887 22.990 > 5 33 Na 0.00000000000000 0.00000000000000 0.73051320932112 22.990 > 9 34 Na 0.50000000000000 0.00000000000000 0.73051320932112 22.990 > 9 35 Na 0.00000000000000 0.50000000000000 0.73051320932112 22.990 > 9 36 Na 0.50000000000000 0.50000000000000 0.73051320932112 22.990 > 9 37 Al 0.33333333333333 0.16666666666667 0.83333333333333 26.982 > 37 38 Al 0.83333333333333 0.16666666666667 0.83333333333333 26.982 > 37 39 Al 0.33333333333333 0.66666666666667 0.83333333333333 26.982 > 37 40 Al 0.83333333333333 0.66666666666667 0.83333333333333 26.982 > 37 41 Al 0.16666666666667 0.33333333333333 0.16666666666667 26.982 > 37 42 Al 0.66666666666667 0.33333333333333 0.16666666666667 26.982 > 37 43 Al 0.16666666666667 0.83333333333333 0.16666666666667 26.982 > 37 44 Al 0.66666666666667 0.83333333333333 0.16666666666667 26.982 > 37 45 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 37 46 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 37 47 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 37 48 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 37 49 F 0.19139198219167 0.14563787721287 0.91220143324092 18.998 > 49 50 F 0.69139198219167 0.14563787721287 0.91220143324092 18.998 > 49 51 F 0.19139198219167 0.64563787721287 0.91220143324092 18.998 > 49 52 F 0.69139198219167 0.64563787721287 0.91220143324092 18.998 > 49 53 F 0.31230454387954 0.28757922835453 0.75446523342574 18.998 > 53 54 F 0.81230454387954 0.28757922835453 0.75446523342574 18.998 > 53 55 F 0.31230454387954 0.78757922835453 0.75446523342574 18.998 > 53 56 F 0.81230454387954 0.78757922835453 0.75446523342574 18.998 > 53 57 F 0.21242077164546 0.02472531552500 0.75446523342574 18.998 > 57 58 F 0.71242077164546 0.02472531552500 0.75446523342574 18.998 > 57 59 F 0.21242077164546 0.52472531552500 0.75446523342574 18.998 > 57 60 F 0.71242077164546 0.52472531552500 0.75446523342574 18.998 > 57 61 F 0.45424589502120 0.30860801780833 0.91220143324092 18.998 > 61 62 F 0.95424589502120 0.30860801780833 0.91220143324092 18.998 > 61 63 F 0.45424589502120 0.80860801780833 0.91220143324092 18.998 > 61 64 F 0.95424589502120 0.80860801780833 0.91220143324092 18.998 > 61 65 F 0.35436212278713 0.04575410497880 0.91220143324092 18.998 > 65 66 F 0.85436212278713 0.04575410497880 0.91220143324092 18.998 > 65 67 F 0.35436212278713 0.54575410497880 0.91220143324092 18.998 > 65 68 F 0.85436212278713 0.54575410497880 0.91220143324092 18.998 > 65 69 F 0.47527468447500 0.18769545612046 0.75446523342574 18.998 > 69 70 F 0.97527468447500 0.18769545612046 0.75446523342574 18.998 > 69 71 F 0.47527468447500 0.68769545612046 0.75446523342574 18.998 > 69 72 F 0.97527468447500 0.68769545612046 0.75446523342574 18.998 > 69 73 F 0.02472531552500 0.31230454387954 0.24553476657426 18.998 > 49 74 F 0.52472531552500 0.31230454387954 0.24553476657426 18.998 > 49 75 F 0.02472531552500 0.81230454387954 0.24553476657426 18.998 > 49 76 F 0.52472531552500 0.81230454387954 0.24553476657426 18.998 > 49 77 F 0.14563787721287 0.45424589502120 0.08779856675908 18.998 > 53 78 F 0.64563787721287 0.45424589502120 0.08779856675908 18.998 > 53 79 F 0.14563787721287 0.95424589502120 0.08779856675908 18.998 > 53 80 F 0.64563787721287 0.95424589502120 0.08779856675908 18.998 > 53 81 F 0.04575410497880 0.19139198219167 0.08779856675908 18.998 > 57 82 F 0.54575410497880 0.19139198219167 0.08779856675908 18.998 > 57 83 F 0.04575410497880 0.69139198219167 0.08779856675908 18.998 > 57 84 F 0.54575410497880 0.69139198219167 0.08779856675908 18.998 > 57 85 F 0.28757922835453 0.47527468447500 0.24553476657426 18.998 > 61 86 F 0.78757922835453 0.47527468447500 0.24553476657426 18.998 > 61 87 F 0.28757922835453 0.97527468447500 0.24553476657426 18.998 > 61 88 F 0.78757922835453 0.97527468447500 0.24553476657426 18.998 > 61 89 F 0.18769545612046 0.21242077164546 0.24553476657426 18.998 > 65 90 F 0.68769545612046 0.21242077164546 0.24553476657426 18.998 > 65 91 F 0.18769545612046 0.71242077164546 0.24553476657426 18.998 > 65 92 F 0.68769545612046 0.71242077164546 0.24553476657426 18.998 > 65 93 F 0.30860801780833 0.35436212278713 0.08779856675908 18.998 > 69 94 F 0.80860801780833 0.35436212278713 0.08779856675908 18.998 > 69 95 F 0.30860801780833 0.85436212278713 0.08779856675908 18.998 > 69 96 F 0.80860801780833 0.85436212278713 0.08779856675908 18.998 > 69 97 F 0.35805864885834 0.47897121054621 0.57886809990759 18.998 > 49 98 F 0.85805864885834 0.47897121054621 0.57886809990759 18.998 > 49 99 F 0.35805864885834 0.97897121054621 0.57886809990759 18.998 > 49 100 F 0.85805864885834 0.97897121054621 0.57886809990759 18.998 > 49 101 F 0.47897121054621 0.12091256168787 0.42113190009241 18.998 > 53 102 F 0.97897121054621 0.12091256168787 0.42113190009241 18.998 > 53 103 F 0.47897121054621 0.62091256168787 0.42113190009241 18.998 > 53 104 F 0.97897121054621 0.62091256168787 0.42113190009241 18.998 > 53 105 F 0.37908743831213 0.35805864885834 0.42113190009241 18.998 > 57 106 F 0.87908743831213 0.35805864885834 0.42113190009241 18.998 > 57 107 F 0.37908743831213 0.85805864885834 0.42113190009241 18.998 > 57 108 F 0.87908743831213 0.85805864885834 0.42113190009241 18.998 > 57 109 F 0.12091256168787 0.14194135114166 0.57886809990759 18.998 > 61 110 F 0.62091256168787 0.14194135114166 0.57886809990759 18.998 > 61 111 F 0.12091256168787 0.64194135114166 0.57886809990759 18.998 > 61 112 F 0.62091256168787 0.64194135114166 0.57886809990759 18.998 > 61 113 F 0.02102878945379 0.37908743831213 0.57886809990759 18.998 > 65 114 F 0.52102878945379 0.37908743831213 0.57886809990759 18.998 > 65 115 F 0.02102878945379 0.87908743831213 0.57886809990759 18.998 > 65 116 F 0.52102878945379 0.87908743831213 0.57886809990759 18.998 > 65 117 F 0.14194135114166 0.02102878945379 0.42113190009241 18.998 > 69 118 F 0.64194135114166 0.02102878945379 0.42113190009241 18.998 > 69 119 F 0.14194135114166 0.52102878945379 0.42113190009241 18.998 > 69 120 F 0.64194135114166 0.52102878945379 0.42113190009241 18.998 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.8761546 0.0000000 0.0000000 -0.0000000 1.8761546 0.0000000 0.0000000 0.0000000 1.8871911 -------------------------- Born effective charges -------------------------- 1 Na 1.0724441 0.0253216 0.0000000 -0.0253216 1.0724441 -0.0000000 0.0000000 0.0000000 1.0134170 2 Na 1.0591889 -0.0081732 0.0000000 0.0081732 1.0591889 -0.0000000 0.0000000 0.0000000 1.0911240 3 Na 1.0591889 -0.0081732 0.0000000 0.0081732 1.0591889 -0.0000000 0.0000000 0.0000000 1.0911240 4 Al 2.6086123 -0.0010783 0.0000000 0.0010783 2.6086123 -0.0000000 0.0000000 0.0000000 2.7092680 5 F -1.0978326 -0.0319977 0.1846920 -0.0293655 -0.8353122 0.0243015 0.1898591 0.0245720 -0.9841555 6 F -0.9275133 0.1276994 -0.1133917 0.1303316 -1.0056315 0.1477972 -0.1162096 0.1521368 -0.9841555 7 F -0.8743712 -0.0996500 -0.0713002 -0.0970178 -1.0587735 -0.1720987 -0.0736496 -0.1767088 -0.9841555 8 F -0.8743712 -0.0996500 -0.0713002 -0.0970178 -1.0587735 -0.1720987 -0.0736496 -0.1767088 -0.9841555 9 F -0.9275133 0.1276994 -0.1133917 0.1303316 -1.0056315 0.1477972 -0.1162096 0.1521368 -0.9841555 10 F -1.0978326 -0.0319977 0.1846920 -0.0293655 -0.8353122 0.0243015 0.1898591 0.0245720 -0.9841555 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zxx) -0.00000001 (zxx) -0.00000001 (zxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.84, Number of G-points: 301, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 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 2.355 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 9.361 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.544 ( 0.000 0.000 0.000) 0.000 11.544 ( 0.000 0.000 0.000) 0.000 11.945 ( 0.000 0.000 0.000) 0.000 11.945 ( 0.000 0.000 0.000) 0.000 16.142 ( 0.000 0.000 0.000) 0.000 17.177 ( 0.000 0.000 0.000) 0.000 17.177 ( 0.000 0.000 0.000) 0.000 17.355 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 15.304 20.250 19.083) 31.755 0.683 ( 26.661 20.339 6.644) 34.185 1.112 ( 49.322 19.549 12.621) 54.536 2.319 ( -2.659 -0.982 -2.114) 3.536 2.376 ( 2.219 -2.886 5.386) 6.501 3.405 ( -2.140 -1.147 -2.767) 3.681 3.650 ( -13.305 -5.593 50.771) 52.783 4.848 ( -11.583 -6.890 -2.580) 13.722 5.065 ( -8.309 -3.986 -1.538) 9.343 5.670 ( 6.254 9.134 2.166) 11.280 5.794 ( -6.374 -16.304 22.270) 28.327 6.243 ( -4.651 -4.576 -4.334) 7.833 6.310 ( -7.757 4.338 -0.142) 8.889 6.846 ( 4.943 4.913 0.181) 6.971 6.892 ( 5.125 -0.717 1.486) 5.384 7.364 ( 0.919 0.505 -3.574) 3.725 7.694 ( 2.665 1.005 0.202) 2.856 8.659 ( -7.166 -1.444 -5.716) 9.279 9.350 ( -0.165 0.366 -4.849) 4.866 9.914 ( 0.136 -1.519 -0.085) 1.528 9.973 ( 6.909 -0.793 -0.712) 6.991 11.511 ( -3.769 -0.029 1.810) 4.181 11.553 ( -0.211 3.840 -1.146) 4.013 11.936 ( 1.230 1.426 -6.686) 6.946 11.994 ( 2.503 3.085 0.670) 4.029 12.054 ( 4.393 -0.147 -0.634) 4.441 16.152 ( 0.852 0.482 0.135) 0.988 17.175 ( -0.017 1.144 -2.303) 2.571 17.334 ( 1.457 0.333 -3.786) 4.070 19.789 ( -2.771 -3.130 4.189) 5.918 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 12.638 18.361 18.157) 28.750 1.328 ( 24.077 17.809 7.419) 30.853 2.038 ( 29.835 10.594 0.050) 31.661 2.257 ( 0.708 1.911 -1.709) 2.659 2.483 ( 10.208 -0.260 12.141) 15.865 3.344 ( 0.127 -1.016 -3.626) 3.768 3.743 ( -2.606 0.542 22.039) 22.199 4.398 ( -23.279 -11.453 -3.061) 26.124 5.033 ( 1.663 -1.517 2.100) 3.079 5.552 ( -11.412 -19.194 8.952) 24.058 5.857 ( 0.672 4.510 6.789) 8.178 6.149 ( -0.737 -2.117 -1.697) 2.811 6.211 ( -9.146 7.909 -1.314) 12.163 6.945 ( 0.611 5.112 4.084) 6.572 7.005 ( 9.621 -2.851 -3.191) 10.529 7.359 ( 2.297 -0.353 -5.646) 6.105 7.759 ( 3.149 1.197 0.683) 3.438 8.438 ( -13.482 -3.759 -0.835) 14.021 9.280 ( -3.171 -0.603 -7.539) 8.201 9.902 ( 0.582 -2.051 0.258) 2.148 10.108 ( 10.791 -1.262 -0.506) 10.877 11.461 ( -4.437 0.678 3.240) 5.536 11.584 ( -0.773 6.337 -2.214) 6.757 11.929 ( 2.643 0.085 -6.519) 7.035 12.043 ( 0.259 1.818 0.741) 1.981 12.172 ( 5.577 2.731 5.807) 8.502 16.180 ( 1.613 0.857 0.371) 1.864 17.164 ( -0.567 2.200 -4.291) 4.856 17.337 ( 0.681 -0.923 0.487) 1.246 19.724 ( -2.973 -4.413 1.573) 5.548 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 6.792 14.344 16.184) 22.667 1.865 ( 16.596 8.749 9.263) 20.923 2.130 ( -0.975 5.500 -6.557) 8.613 2.390 ( 5.605 0.190 0.056) 5.609 2.778 ( 3.186 -0.143 -4.025) 5.135 3.502 ( 18.553 5.722 5.665) 20.225 3.879 ( 2.881 -0.782 13.242) 13.575 3.975 ( -10.771 -5.080 0.809) 11.936 5.072 ( 2.651 -1.661 2.651) 4.101 5.222 ( -10.530 -17.987 2.930) 21.047 5.821 ( -13.519 2.387 4.855) 14.562 6.124 ( -0.736 -2.067 1.777) 2.823 6.218 ( -0.084 9.822 0.889) 9.862 7.024 ( 0.170 2.368 5.977) 6.431 7.091 ( 7.677 -2.018 -5.882) 9.879 7.364 ( 3.945 -1.139 -5.270) 6.680 7.813 ( 2.317 0.453 -1.092) 2.601 8.151 ( -16.080 -4.391 -0.571) 16.679 9.144 ( -5.083 -1.959 -7.764) 9.485 9.899 ( 0.847 -1.665 0.534) 1.943 10.276 ( 10.883 -1.251 0.216) 10.957 11.429 ( -3.573 1.353 3.710) 5.326 11.610 ( -1.532 6.775 -2.988) 7.561 11.937 ( 3.973 -1.969 -4.582) 6.376 12.056 ( -1.520 2.090 1.162) 2.834 12.335 ( 5.079 3.966 5.826) 8.688 16.224 ( 2.113 1.018 0.718) 2.453 17.139 ( -1.376 2.630 -5.202) 5.990 17.345 ( 0.649 -1.505 1.926) 2.529 19.638 ( -2.910 -4.801 0.644) 5.651 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -4.407 6.489 9.593) 12.392 2.032 ( -1.311 0.676 4.730) 4.954 2.214 ( 2.034 1.924 -1.522) 3.186 2.471 ( 2.703 2.307 -3.728) 5.151 2.687 ( 2.463 -0.098 -2.502) 3.512 3.733 ( 2.699 0.771 -1.645) 3.253 3.855 ( 1.836 1.683 2.981) 3.885 4.261 ( 17.343 3.075 11.967) 21.294 4.955 ( -1.213 -15.612 2.557) 15.867 5.148 ( 3.649 2.485 1.586) 4.691 5.600 ( -16.872 2.264 0.398) 17.028 6.099 ( -1.427 -2.455 2.430) 3.737 6.346 ( 1.662 9.031 4.671) 10.302 7.049 ( -1.493 -3.616 4.644) 6.072 7.166 ( 6.969 1.815 -4.864) 8.691 7.396 ( 4.383 -1.194 -2.910) 5.395 7.777 ( -8.566 -0.168 -10.509) 13.559 7.886 ( -6.598 -3.773 5.509) 9.388 8.995 ( -4.614 -2.281 -5.580) 7.591 9.904 ( 0.700 -0.981 0.475) 1.296 10.428 ( 8.148 -0.922 0.652) 8.226 11.417 ( -2.462 1.599 2.735) 4.013 11.620 ( -1.515 4.739 -2.523) 5.579 11.958 ( 4.440 -3.142 -2.764) 6.101 12.051 ( -2.751 2.783 1.024) 4.045 12.476 ( 3.470 3.273 4.221) 6.369 16.273 ( 1.990 0.857 0.909) 2.349 17.103 ( -1.610 2.083 -4.434) 5.157 17.354 ( 0.513 -1.319 1.792) 2.283 19.557 ( -2.138 -3.759 0.241) 4.331 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -7.511 0.763 1.448) 7.687 2.004 ( -2.027 -1.301 1.505) 2.840 2.232 ( 1.591 -0.062 -0.172) 1.602 2.479 ( 0.856 -0.180 -1.286) 1.555 2.812 ( 4.148 3.568 0.523) 5.497 3.799 ( 4.279 3.518 -1.536) 5.748 3.878 ( -1.579 -2.809 2.380) 4.006 4.453 ( 0.493 0.970 1.317) 1.709 4.975 ( 10.241 -7.985 4.303) 13.680 5.254 ( 4.817 0.748 0.445) 4.895 5.365 ( -13.187 4.500 -1.471) 14.011 6.072 ( -0.913 -1.051 1.063) 1.751 6.485 ( 2.244 5.089 3.722) 6.692 6.986 ( -2.681 -3.515 0.798) 4.492 7.289 ( 7.847 1.236 1.142) 8.025 7.426 ( 2.143 -1.733 -2.767) 3.906 7.510 ( -11.629 0.153 -5.202) 12.741 7.860 ( -0.237 -0.963 1.236) 1.585 8.896 ( -1.879 -1.018 -1.983) 2.915 9.908 ( 0.266 -0.315 0.184) 0.452 10.520 ( 3.090 -0.355 0.359) 3.131 11.412 ( -0.979 0.787 0.925) 1.560 11.620 ( -0.590 1.575 -0.922) 1.918 11.980 ( 2.666 -2.126 -1.165) 3.603 12.038 ( -2.073 1.971 0.621) 2.927 12.557 ( 1.225 1.256 1.539) 2.333 16.309 ( 0.862 0.342 0.461) 1.036 17.074 ( -0.747 0.782 -1.798) 2.098 17.360 ( 0.189 -0.517 0.709) 0.897 19.508 ( -0.785 -1.427 0.060) 1.630 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 13.018 23.309 13.700) 30.008 0.722 ( 4.295 23.277 20.021) 31.002 1.304 ( -8.783 46.116 26.632) 53.973 2.318 ( -0.537 -3.642 0.668) 3.742 2.359 ( -2.780 -0.912 2.220) 3.673 3.386 ( 0.048 -2.169 -3.697) 4.287 4.039 ( 2.128 -29.386 47.026) 55.493 4.897 ( -0.583 -10.251 1.395) 10.362 5.035 ( 0.417 -5.281 -3.456) 6.325 5.655 ( 3.210 8.791 0.547) 9.375 5.823 ( -7.480 -29.878 17.661) 35.504 6.224 ( -0.454 -7.732 -3.985) 8.710 6.467 ( 2.381 -2.105 13.780) 14.141 6.838 ( 1.808 0.903 1.049) 2.277 6.915 ( -2.057 10.063 2.281) 10.521 7.436 ( 1.875 3.719 3.330) 5.333 7.683 ( -2.058 4.044 -1.154) 4.682 8.421 ( 3.547 -6.921 -23.882) 25.117 9.323 ( 0.045 -2.109 -2.706) 3.431 9.918 ( -1.219 0.122 -0.447) 1.304 9.980 ( -6.162 4.403 -0.428) 7.585 11.511 ( 6.369 -0.555 -1.509) 6.568 11.554 ( 1.550 0.399 1.920) 2.500 11.929 ( -1.070 6.604 -10.268) 12.255 11.958 ( 1.770 1.387 -0.460) 2.296 12.090 ( -1.250 8.138 6.243) 10.333 16.152 ( -0.016 0.832 0.202) 0.856 17.215 ( 1.943 2.754 1.529) 3.701 17.317 ( -1.132 6.604 -5.583) 8.721 19.755 ( -1.950 -10.786 1.727) 11.096 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 14.529 17.895 18.882) 29.797 1.278 ( 19.877 20.246 14.112) 31.689 1.862 ( 9.991 32.480 9.540) 35.296 2.248 ( -2.022 -1.003 0.378) 2.289 2.416 ( 6.206 -0.759 9.474) 11.351 3.336 ( -1.373 -0.070 -1.914) 2.357 4.019 ( -8.758 -6.835 25.380) 27.705 4.609 ( -17.812 -14.748 -0.566) 23.132 5.008 ( 0.924 -0.592 0.611) 1.257 5.496 ( -7.192 -26.461 6.215) 28.117 5.884 ( 11.523 3.182 1.633) 12.065 6.099 ( -3.974 -4.655 -0.463) 6.138 6.452 ( -7.535 -1.670 10.528) 13.054 6.853 ( 2.635 -1.819 -1.769) 3.658 7.056 ( -0.224 12.739 2.911) 13.069 7.393 ( -8.324 5.016 -2.818) 10.119 7.719 ( 2.606 1.548 0.148) 3.034 8.359 ( 9.513 -13.744 -12.131) 20.653 9.261 ( -1.704 -2.029 -6.176) 6.720 9.902 ( -0.913 0.983 -1.626) 2.108 9.948 ( 2.260 0.471 -0.948) 2.496 11.553 ( -1.511 0.769 1.341) 2.162 11.613 ( 2.254 1.663 2.394) 3.685 11.890 ( -1.571 4.033 -7.651) 8.790 12.026 ( 4.128 1.019 -0.754) 4.318 12.236 ( 0.893 10.271 9.708) 14.161 16.170 ( 0.933 0.994 0.212) 1.380 17.235 ( -4.240 6.554 -0.699) 7.838 17.343 ( 0.538 2.537 -0.006) 2.594 19.637 ( 1.374 -12.602 -2.308) 12.886 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 9.005 8.945 17.217) 21.390 1.823 ( 13.974 15.610 13.125) 24.722 2.114 ( 3.271 8.624 -9.103) 12.959 2.322 ( 3.296 5.804 5.657) 8.749 2.684 ( 9.265 5.323 2.094) 10.889 3.402 ( 6.695 6.882 9.760) 13.691 3.990 ( -6.806 -3.422 12.162) 14.351 4.160 ( -17.596 -8.065 0.723) 19.370 5.038 ( 1.376 -3.134 3.560) 4.938 5.175 ( -6.386 -19.629 1.321) 20.684 5.957 ( 0.131 -10.240 -3.009) 10.674 6.128 ( 2.942 7.807 5.641) 10.071 6.363 ( -7.532 -0.780 7.114) 10.390 6.886 ( 7.168 -3.668 -4.445) 9.198 7.142 ( -4.616 9.165 2.450) 10.550 7.315 ( -0.854 1.770 -4.511) 4.921 7.771 ( 2.030 0.938 -0.253) 2.250 8.242 ( -3.243 -9.709 -4.609) 11.227 9.144 ( -3.807 -2.837 -7.485) 8.863 9.892 ( -0.329 0.596 -0.199) 0.709 10.043 ( 10.877 -2.297 -2.349) 11.362 11.533 ( -3.408 0.923 3.501) 4.973 11.670 ( 0.191 4.348 -0.385) 4.370 11.855 ( -0.036 1.234 -5.774) 5.904 12.089 ( 1.957 1.703 0.604) 2.664 12.416 ( 0.236 10.510 10.185) 14.637 16.203 ( 1.838 0.919 0.321) 2.080 17.211 ( -5.021 8.220 -4.197) 10.506 17.372 ( -0.775 0.376 5.207) 5.278 19.529 ( 3.162 -13.163 -4.437) 14.246 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 1.224 -2.596 5.952) 6.608 2.145 ( 3.866 7.779 5.229) 10.139 2.206 ( 0.610 5.453 -4.205) 6.913 2.494 ( -0.943 8.789 10.390) 13.641 2.690 ( -2.211 2.572 -1.170) 3.588 3.688 ( 4.197 2.823 0.699) 5.106 3.870 ( 1.794 -1.742 6.283) 6.762 4.128 ( 6.465 1.988 11.097) 12.996 4.850 ( -4.986 -19.450 1.493) 20.135 5.144 ( 2.119 5.178 0.703) 5.639 5.802 ( -6.327 -7.949 -1.288) 10.241 6.136 ( -6.202 -0.870 0.991) 6.341 6.426 ( 3.943 6.189 6.816) 10.015 6.955 ( 9.775 -3.954 -5.227) 11.768 7.124 ( -4.822 1.978 1.895) 5.545 7.330 ( 2.750 1.162 -2.938) 4.189 7.786 ( -1.609 2.124 -2.955) 3.979 8.033 ( -9.995 -5.624 0.279) 11.472 9.002 ( -3.961 -3.340 -5.425) 7.501 9.897 ( 0.161 0.444 0.447) 0.650 10.199 ( 13.321 -3.932 -3.165) 14.245 11.513 ( -3.509 1.565 3.919) 5.489 11.687 ( -2.517 5.384 -2.968) 6.643 11.841 ( 2.681 -2.219 -2.902) 4.531 12.129 ( -0.516 3.065 1.137) 3.310 12.563 ( -1.607 9.106 8.513) 12.568 16.248 ( 2.329 0.549 0.413) 2.428 17.173 ( -4.982 7.672 -4.932) 10.392 17.396 ( -1.883 0.314 7.385) 7.628 19.438 ( 4.653 -12.123 -5.504) 14.104 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -6.783 -2.003 -6.700) 9.742 2.039 ( -7.064 -7.229 2.188) 10.342 2.268 ( 1.235 6.053 -4.102) 7.415 2.535 ( -4.920 1.134 15.828) 16.614 2.848 ( 2.051 11.925 3.777) 12.676 3.743 ( 5.074 2.389 -1.507) 5.807 3.916 ( -2.441 -0.051 3.781) 4.500 4.392 ( 10.348 -1.507 3.946) 11.177 4.680 ( 6.612 -15.584 2.091) 17.057 5.227 ( 0.775 4.151 -0.210) 4.228 5.618 ( -8.455 -0.602 -1.453) 8.600 6.045 ( -1.648 -3.296 -1.327) 3.916 6.573 ( 0.026 8.371 2.235) 8.664 7.020 ( -0.872 -1.440 -1.239) 2.091 7.111 ( 7.787 -3.246 2.363) 8.761 7.349 ( 2.801 -1.999 -5.975) 6.895 7.676 ( -10.452 2.729 -2.366) 11.059 7.906 ( -3.450 -1.734 5.077) 6.379 8.900 ( -1.855 -2.226 -1.871) 3.449 9.908 ( 0.148 0.674 0.453) 0.825 10.341 ( 11.854 -5.008 -4.284) 13.563 11.494 ( -4.241 2.530 2.731) 5.643 11.659 ( -2.915 2.869 -2.374) 4.728 11.859 ( 4.249 -3.272 -1.402) 5.543 12.145 ( -2.584 3.909 1.528) 4.929 12.641 ( -3.904 6.546 5.438) 9.363 16.288 ( 1.897 -0.111 0.087) 1.902 17.133 ( -4.192 5.979 -2.999) 7.894 17.416 ( -2.919 1.414 7.509) 8.180 19.385 ( 6.448 -9.729 -6.123) 13.180 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -2.959 -1.418 -6.628) 7.395 1.982 ( 0.275 -2.192 3.069) 3.781 2.282 ( -0.941 4.720 -6.539) 8.120 2.561 ( -4.517 -2.128 14.623) 15.452 2.912 ( -6.733 4.834 2.658) 8.705 3.841 ( 1.292 -1.070 0.500) 1.751 3.873 ( -2.147 2.632 1.047) 3.555 4.407 ( 0.525 -2.725 -5.226) 5.917 4.819 ( 18.368 -14.400 4.115) 23.700 5.215 ( -3.321 1.795 -2.483) 4.518 5.517 ( -7.741 7.163 -1.425) 10.643 6.001 ( 1.534 -3.147 -2.722) 4.435 6.540 ( -9.144 2.321 -6.243) 11.313 6.988 ( 0.559 2.896 -1.673) 3.391 7.278 ( 3.528 -4.137 3.017) 6.218 7.326 ( 10.150 -1.244 -2.722) 10.582 7.569 ( -6.881 2.182 6.010) 9.393 7.893 ( -1.791 0.475 3.083) 3.596 8.886 ( 1.619 -0.092 2.023) 2.593 9.920 ( -0.185 1.326 0.165) 1.349 10.421 ( 8.053 -5.601 -5.904) 11.449 11.458 ( -4.681 2.597 1.300) 5.509 11.624 ( -1.782 -0.313 -0.241) 1.825 11.895 ( 4.524 -2.794 -0.817) 5.380 12.140 ( -4.001 3.789 2.259) 5.955 12.631 ( -6.076 3.615 1.972) 7.341 16.302 ( 0.490 -0.800 -0.689) 1.164 17.115 ( -2.548 3.885 0.331) 4.658 17.428 ( -3.903 2.957 6.515) 8.150 19.385 ( 8.209 -6.793 -6.443) 12.452 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 3.369 0.925 -3.796) 5.159 2.005 ( 1.601 -0.081 1.220) 2.015 2.247 ( -2.950 3.419 -7.066) 8.386 2.534 ( -4.738 -7.389 11.195) 14.226 2.811 ( -8.427 2.740 3.412) 9.495 3.779 ( -2.406 -0.441 -0.524) 2.502 3.884 ( -3.819 -0.170 1.140) 3.989 4.336 ( -3.154 -3.529 -9.025) 10.191 4.929 ( 8.710 -10.148 -2.907) 13.686 5.174 ( -2.785 3.573 -2.569) 5.208 5.487 ( -1.824 9.552 0.128) 9.725 6.007 ( 5.417 -2.901 -3.144) 6.902 6.334 ( -8.338 -2.575 -5.553) 10.344 7.028 ( 1.584 4.137 -6.877) 8.181 7.233 ( -1.898 -3.558 4.163) 5.795 7.514 ( -0.173 -0.236 3.488) 3.500 7.607 ( 10.820 1.830 7.313) 13.187 7.884 ( -1.650 0.795 0.396) 1.874 8.974 ( 4.734 1.504 5.560) 7.455 9.930 ( -0.712 2.466 -0.217) 2.576 10.414 ( 3.247 -5.664 -7.458) 9.912 11.418 ( -3.469 1.920 1.199) 4.142 11.590 ( -0.867 -2.912 1.237) 3.281 11.940 ( 3.827 -1.465 -0.587) 4.140 12.119 ( -4.637 2.818 3.476) 6.444 12.543 ( -7.686 1.149 -1.018) 7.838 16.281 ( -0.986 -1.127 -1.126) 1.874 17.127 ( -0.874 1.987 2.904) 3.625 17.431 ( -4.685 4.150 5.186) 8.128 19.434 ( 9.404 -4.259 -6.471) 12.183 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -9.700 -0.522 -4.713) 10.797 2.026 ( -10.147 1.567 -5.156) 11.489 2.084 ( -2.463 -8.931 3.956) 10.074 2.445 ( -3.468 -3.256 2.127) 5.211 2.838 ( 1.290 3.501 4.978) 6.221 3.735 ( -13.686 -5.411 0.821) 14.740 3.813 ( 5.467 4.065 -0.598) 6.839 4.020 ( -17.070 -1.819 -13.522) 21.853 4.998 ( 13.728 -7.613 -5.521) 16.640 5.153 ( -1.255 5.601 -2.532) 6.274 5.656 ( 8.336 11.721 -1.447) 14.455 6.072 ( 6.484 -2.721 -0.273) 7.037 6.165 ( -5.813 -3.951 -1.708) 7.233 6.996 ( -1.836 -0.220 -5.932) 6.213 7.223 ( -2.589 0.299 5.965) 6.509 7.494 ( -4.060 0.259 4.614) 6.151 7.823 ( 2.504 -5.319 3.334) 6.759 7.915 ( 11.583 5.470 -2.699) 13.091 9.124 ( 5.787 1.645 7.310) 9.468 9.941 ( -1.296 3.829 -0.495) 4.073 10.325 ( -0.896 -5.485 -8.461) 10.123 11.405 ( -1.556 2.071 2.112) 3.342 11.558 ( -0.122 -4.850 2.353) 5.392 11.980 ( 2.165 -0.021 -0.262) 2.181 12.092 ( -4.386 1.531 4.549) 6.502 12.399 ( -8.420 -0.366 -3.061) 8.967 16.241 ( -1.745 -0.992 -0.877) 2.190 17.157 ( 0.046 0.839 3.700) 3.795 17.423 ( -4.982 4.221 3.865) 7.588 19.516 ( 9.619 -2.635 -6.183) 11.735 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -21.103 1.666 -2.663) 21.335 1.583 ( -25.812 -12.465 1.133) 28.686 2.157 ( 4.875 0.731 2.334) 5.454 2.369 ( -5.733 -0.203 -1.472) 5.922 2.680 ( -26.124 -5.159 -7.887) 27.773 3.423 ( -8.565 -0.676 -1.199) 8.675 3.712 ( -8.905 -0.622 -5.617) 10.547 4.136 ( 20.879 6.578 2.502) 22.033 5.039 ( 1.244 -1.819 -4.090) 4.646 5.274 ( 16.293 -2.867 -6.960) 17.948 5.898 ( 3.999 18.007 -5.277) 19.186 6.031 ( -0.902 -9.781 3.504) 10.429 6.166 ( 4.199 0.175 3.694) 5.595 6.918 ( -2.280 -1.333 -2.800) 3.849 7.193 ( -7.130 1.830 2.586) 7.802 7.453 ( -3.158 -2.335 3.986) 5.596 7.777 ( -1.770 -2.506 -0.868) 3.188 8.183 ( 16.132 1.725 -0.763) 16.242 9.270 ( 4.601 0.811 6.181) 7.748 9.952 ( -1.765 4.483 -0.434) 4.838 10.178 ( -3.349 -5.151 -9.151) 11.022 11.438 ( 0.281 2.819 3.800) 4.739 11.530 ( 0.245 -4.800 2.992) 5.662 12.005 ( -0.062 0.597 1.854) 1.948 12.068 ( -3.307 1.029 3.348) 4.818 12.231 ( -7.990 -1.173 -3.850) 8.946 16.199 ( -1.821 -0.552 -0.388) 1.942 17.189 ( 0.028 0.580 3.255) 3.306 17.401 ( -4.194 2.698 2.223) 5.459 19.607 ( 8.581 -1.651 -5.292) 10.216 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -26.568 10.412 5.490) 29.058 1.035 ( -30.283 -10.018 7.628) 32.797 1.833 ( -51.395 0.688 -6.454) 51.803 2.267 ( 4.132 1.033 3.284) 5.378 2.347 ( -0.511 -0.651 -8.768) 8.807 3.400 ( 1.910 0.003 -1.160) 2.235 3.550 ( -8.389 -0.627 3.978) 9.306 4.587 ( 24.840 0.544 1.668) 24.902 5.011 ( 0.263 -0.202 -1.641) 1.674 5.472 ( 16.305 -1.996 -5.023) 17.178 5.847 ( -9.498 -2.275 1.855) 9.941 6.147 ( 8.234 4.977 -4.505) 10.624 6.277 ( 3.733 1.312 7.016) 8.055 6.875 ( -1.521 1.096 -0.195) 1.885 7.039 ( -11.430 -2.115 -1.281) 11.694 7.410 ( -1.403 -2.461 0.796) 2.942 7.726 ( -2.546 0.441 -0.786) 2.701 8.458 ( 15.415 0.807 2.404) 15.622 9.358 ( 1.924 0.029 1.702) 2.568 9.954 ( -1.771 0.500 0.257) 1.858 10.016 ( -4.020 -0.451 -9.142) 9.997 11.495 ( 2.139 -3.833 4.092) 6.001 11.535 ( -0.431 3.793 3.599) 5.246 12.011 ( -2.799 0.852 2.922) 4.135 12.051 ( -0.895 1.848 -1.309) 2.435 12.075 ( -6.301 -2.748 -1.127) 6.966 16.168 ( -1.472 -0.006 -0.034) 1.473 17.205 ( -0.991 0.325 1.601) 1.911 17.369 ( -1.768 -0.259 -0.525) 1.863 19.693 ( 6.245 -0.032 -2.345) 6.671 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -15.881 17.337 8.028) 24.844 1.133 ( -12.644 17.210 18.920) 28.531 2.075 ( -14.903 32.934 14.430) 38.923 2.248 ( 4.423 -3.080 1.397) 5.568 2.499 ( -8.824 3.632 5.843) 11.189 3.342 ( 0.419 1.014 -1.442) 1.812 3.971 ( 8.746 -7.544 25.773) 28.242 4.562 ( 17.986 -16.048 -1.276) 24.139 5.079 ( -1.532 1.257 4.798) 5.192 5.656 ( 2.413 -18.926 10.721) 21.885 5.824 ( -12.480 -8.828 -0.223) 15.288 6.127 ( 0.850 -1.938 -6.843) 7.163 6.319 ( 21.294 2.260 11.370) 24.245 6.876 ( -3.510 -0.165 0.568) 3.559 7.088 ( -2.826 11.064 2.789) 11.755 7.375 ( 5.623 3.919 -2.333) 7.240 7.748 ( -0.981 1.421 1.178) 2.090 8.262 ( -8.317 -14.541 -16.310) 23.380 9.256 ( 2.298 -3.449 -3.900) 5.691 9.939 ( -0.369 1.701 -1.133) 2.077 10.121 ( -5.575 5.193 0.066) 7.619 11.409 ( 2.180 -0.584 -3.970) 4.567 11.544 ( 1.681 -0.395 3.980) 4.339 11.929 ( -0.010 3.941 -3.385) 5.195 11.999 ( -2.937 1.879 -2.234) 4.141 12.216 ( -0.510 6.751 7.311) 9.965 16.171 ( -0.993 1.068 0.254) 1.481 17.182 ( 4.561 4.326 -1.674) 6.505 17.368 ( -0.387 3.348 0.721) 3.447 19.701 ( -2.539 -9.969 -1.367) 10.378 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 11.795 20.933 9.108) 25.695 1.402 ( 3.949 20.659 18.582) 28.066 2.134 ( -5.045 4.091 0.974) 6.568 2.398 ( -0.905 0.245 6.154) 6.225 2.468 ( -5.171 22.340 12.742) 26.233 3.376 ( -0.634 6.442 4.181) 7.706 4.138 ( 2.137 -6.546 16.396) 17.784 4.609 ( 2.648 -16.302 2.945) 16.776 5.045 ( -4.908 0.049 3.482) 6.018 5.423 ( -8.487 -25.304 2.666) 26.822 5.700 ( 4.600 -5.157 -0.640) 6.940 6.078 ( 1.970 -1.070 -2.748) 3.546 6.565 ( -0.418 -7.406 11.238) 13.466 6.829 ( -1.441 -1.614 0.497) 2.220 7.196 ( 0.497 12.139 2.763) 12.459 7.519 ( 1.043 0.260 0.573) 1.218 7.784 ( -1.977 4.805 3.282) 6.146 7.903 ( 6.150 -10.148 -21.116) 24.222 9.209 ( 0.001 -4.600 -4.717) 6.589 9.920 ( -1.901 0.564 -0.031) 1.983 10.012 ( -7.089 1.509 -3.690) 8.133 11.523 ( 6.629 3.094 -0.375) 7.325 11.607 ( 2.074 0.667 4.660) 5.144 11.925 ( -2.118 4.466 -5.453) 7.359 11.983 ( 0.922 2.536 -1.353) 3.019 12.378 ( 2.671 9.894 10.434) 14.625 16.172 ( -0.069 0.965 0.006) 0.967 17.310 ( 4.255 4.631 1.596) 6.488 17.385 ( -2.549 5.995 -2.095) 6.843 19.498 ( -3.605 -15.164 -3.043) 15.881 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 13.972 7.185 13.607) 20.784 1.804 ( 9.118 17.852 8.135) 21.633 2.104 ( 0.849 6.223 -4.626) 7.800 2.456 ( 1.227 3.531 13.644) 14.146 2.680 ( 0.699 12.907 0.572) 12.939 3.534 ( 0.045 14.137 15.159) 20.728 4.132 ( -7.334 -8.598 8.897) 14.383 4.368 ( -14.500 -6.710 1.196) 16.022 5.007 ( -2.727 -11.270 4.114) 12.303 5.119 ( -2.578 -9.528 0.585) 9.888 5.722 ( 8.314 -10.963 -4.131) 14.366 6.159 ( 5.516 2.823 2.811) 6.804 6.456 ( -5.723 -13.346 8.922) 17.044 6.786 ( -0.874 -2.471 -2.568) 3.669 7.283 ( 0.426 2.324 -5.923) 6.377 7.380 ( -10.113 7.261 -3.828) 13.025 7.804 ( -1.252 5.607 3.726) 6.847 8.014 ( 14.435 -7.670 -4.491) 16.952 9.109 ( -1.958 -4.532 -6.746) 8.360 9.902 ( -0.157 -0.528 0.245) 0.603 9.933 ( -0.776 1.213 -3.482) 3.768 11.592 ( -0.339 1.743 1.230) 2.160 11.682 ( 1.754 0.859 4.194) 4.627 11.884 ( -3.402 4.864 -5.421) 8.039 12.049 ( 4.200 2.850 -1.250) 5.227 12.595 ( 1.339 11.312 11.828) 16.421 16.188 ( 1.046 0.709 -0.141) 1.272 17.361 ( -5.423 8.529 -3.757) 10.783 17.420 ( 1.675 3.049 4.439) 5.640 19.297 ( 1.413 -17.361 -4.973) 18.115 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.278 -3.410 5.556) 6.525 2.092 ( 8.180 6.993 -0.552) 10.775 2.240 ( 1.446 8.907 -1.483) 9.144 2.706 ( 5.633 9.546 19.081) 22.066 2.762 ( -0.600 9.927 -1.052) 10.000 3.746 ( -6.934 3.755 8.590) 11.660 3.863 ( -2.862 -8.455 7.200) 11.468 4.229 ( -6.101 4.220 2.433) 7.807 4.773 ( -5.528 -17.858 2.590) 18.873 5.174 ( 2.618 6.754 1.407) 7.379 5.685 ( 3.739 -11.935 -4.200) 13.193 6.202 ( -3.747 -9.329 0.880) 10.092 6.404 ( 7.280 -0.966 6.615) 9.884 6.754 ( 4.598 -3.520 -4.590) 7.389 7.217 ( -0.912 -0.765 -4.655) 4.805 7.337 ( -6.032 8.083 -1.962) 10.275 7.863 ( -2.190 5.568 4.382) 7.416 8.054 ( 0.874 -5.576 -1.905) 5.957 8.982 ( -2.581 -4.493 -5.793) 7.772 9.907 ( 0.250 0.390 0.191) 0.501 9.961 ( 7.231 -1.830 -3.482) 8.232 11.597 ( -2.017 1.235 3.319) 4.076 11.729 ( 0.543 0.881 1.885) 2.150 11.833 ( -3.845 3.664 -4.202) 6.772 12.134 ( 3.140 3.782 -1.519) 5.145 12.769 ( -2.493 10.505 10.878) 15.326 16.217 ( 1.986 0.271 -0.178) 2.013 17.314 ( -6.116 8.721 -5.582) 12.026 17.500 ( -1.004 3.188 8.906) 9.512 19.151 ( 5.959 -17.486 -7.317) 19.869 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -2.351 -0.478 -4.537) 5.132 2.158 ( -11.018 -3.084 0.469) 11.451 2.220 ( 3.820 3.110 -1.821) 5.252 2.777 ( -6.997 1.299 11.986) 13.940 3.033 ( 0.463 17.733 11.388) 21.080 3.664 ( 4.599 0.531 -2.378) 5.205 3.956 ( 2.044 -3.946 8.654) 9.729 4.235 ( 3.217 -2.473 4.266) 5.888 4.559 ( -4.534 -10.138 -2.510) 11.386 5.273 ( 0.180 6.075 0.324) 6.086 5.584 ( 1.065 -10.882 -2.952) 11.325 6.055 ( -2.608 -4.513 -2.462) 5.765 6.594 ( 7.378 3.540 1.895) 8.400 6.826 ( 11.063 -3.815 -1.300) 11.775 7.184 ( -3.822 0.402 4.750) 6.110 7.276 ( -3.657 3.172 -7.694) 9.090 7.853 ( -7.725 3.156 0.047) 8.345 7.976 ( -3.119 -2.473 3.688) 5.426 8.884 ( -1.009 -3.366 -2.399) 4.255 9.919 ( 0.208 0.816 0.563) 1.013 10.059 ( 11.065 -4.220 -5.187) 12.929 11.602 ( -2.595 1.969 4.482) 5.541 11.730 ( -3.397 2.860 -1.920) 4.838 11.788 ( -0.080 -0.924 -0.434) 1.024 12.194 ( 0.930 4.229 -1.773) 4.679 12.849 ( -6.281 8.010 8.012) 12.954 16.250 ( 2.229 -0.363 -0.381) 2.290 17.258 ( -5.689 7.094 -3.967) 9.921 17.569 ( -3.529 4.927 11.125) 12.669 19.066 ( 9.867 -15.778 -9.594) 20.937 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -8.241 3.309 -8.127) 12.038 2.014 ( -4.101 -4.020 7.226) 9.230 2.272 ( 0.898 4.438 -4.045) 6.072 2.724 ( -6.757 -4.406 11.466) 14.019 3.155 ( -9.277 10.600 5.318) 15.057 3.791 ( 4.995 2.289 2.485) 6.031 3.966 ( -3.042 2.089 1.583) 4.015 4.305 ( 5.656 -7.429 -3.501) 9.972 4.438 ( 8.440 -12.521 1.286) 15.155 5.291 ( -2.983 4.136 -0.784) 5.159 5.509 ( 3.606 -7.402 -3.268) 8.858 6.007 ( -1.689 2.841 -2.326) 4.042 6.670 ( -3.373 5.158 -5.772) 8.443 6.960 ( 4.475 -1.575 -1.610) 5.010 7.140 ( 2.146 0.129 -3.693) 4.274 7.249 ( 1.572 -1.363 6.272) 6.608 7.735 ( -7.304 0.065 3.291) 8.011 7.954 ( -2.590 -0.043 3.774) 4.578 8.864 ( 1.898 -1.111 1.177) 2.494 9.937 ( 0.253 1.552 0.533) 1.660 10.151 ( 10.610 -5.796 -7.299) 14.122 11.597 ( -5.470 3.844 3.908) 7.744 11.666 ( -3.846 0.457 -1.100) 4.026 11.805 ( 3.340 -2.006 0.493) 3.927 12.220 ( -1.049 3.743 -1.331) 4.109 12.825 ( -9.027 4.811 4.492) 11.172 16.271 ( 1.506 -0.958 -0.838) 1.972 17.214 ( -4.398 4.688 -0.751) 6.472 17.624 ( -6.181 6.991 11.345) 14.690 19.050 ( 13.251 -12.855 -10.960) 21.470 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -0.528 8.899 -0.358) 8.922 1.997 ( -0.115 -2.629 4.567) 5.271 2.285 ( -1.762 7.752 -6.572) 10.315 2.630 ( -6.584 -9.609 11.894) 16.647 3.041 ( -13.247 2.776 2.141) 13.703 3.799 ( -3.730 -2.721 -1.709) 4.923 3.969 ( -1.637 4.327 1.933) 5.014 4.228 ( 1.066 -5.307 -8.384) 9.980 4.587 ( 16.312 -12.430 1.696) 20.578 5.269 ( -4.006 5.464 -1.189) 6.879 5.521 ( 5.560 -2.500 -2.534) 6.602 5.987 ( -3.766 5.231 -1.844) 6.704 6.484 ( -14.902 2.205 -5.564) 16.059 6.971 ( 2.751 2.020 -6.427) 7.277 7.202 ( 5.964 -2.129 -2.376) 6.764 7.374 ( 7.448 -2.654 8.212) 11.400 7.685 ( -3.094 0.004 7.377) 8.000 7.927 ( -2.657 -0.268 1.118) 2.895 8.939 ( 5.017 0.722 4.201) 6.583 9.964 ( 0.053 2.958 0.347) 2.979 10.188 ( 7.834 -6.528 -9.380) 13.855 11.546 ( -6.372 3.039 1.809) 7.287 11.615 ( -3.117 -0.715 2.516) 4.069 11.859 ( 4.494 -1.088 0.262) 4.631 12.216 ( -2.430 2.531 0.055) 3.510 12.715 ( -10.546 1.877 1.570) 10.826 16.269 ( 0.252 -1.113 -1.041) 1.545 17.194 ( -2.690 2.497 1.810) 4.092 17.646 ( -8.167 7.330 9.301) 14.386 19.107 ( 15.141 -9.059 -10.379) 20.470 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -4.636 9.009 0.825) 10.165 2.023 ( 2.600 0.112 3.431) 4.306 2.232 ( -10.474 1.134 -1.265) 10.611 2.512 ( -5.520 -4.213 7.769) 10.421 2.892 ( -5.056 -0.241 0.508) 5.087 3.704 ( -0.040 -3.401 -4.048) 5.287 3.951 ( -6.482 1.053 4.330) 7.866 4.107 ( -5.099 -4.072 -12.101) 13.748 4.677 ( 8.793 -8.361 -2.721) 12.435 5.241 ( -4.455 3.519 -0.952) 5.757 5.614 ( 7.922 3.172 -1.071) 8.600 6.000 ( 1.128 6.091 -0.490) 6.214 6.268 ( -9.890 0.438 -0.493) 9.912 6.976 ( 0.303 1.440 -5.521) 5.714 7.262 ( 2.461 -0.716 3.721) 4.518 7.462 ( 4.553 -6.558 -0.803) 8.024 7.739 ( 2.856 -1.487 7.825) 8.461 7.896 ( -0.610 2.423 -0.975) 2.682 9.080 ( 6.600 1.003 5.120) 8.413 9.997 ( -0.485 3.952 0.268) 3.990 10.157 ( 4.018 -5.585 -10.825) 12.826 11.491 ( -3.476 -0.066 2.076) 4.049 11.583 ( -3.548 0.898 4.402) 5.724 11.926 ( 4.089 0.076 -0.352) 4.105 12.192 ( -3.207 1.151 1.648) 3.785 12.549 ( -10.995 -0.286 0.060) 10.999 16.248 ( -0.845 -0.746 -0.698) 1.326 17.196 ( -1.139 1.211 2.702) 3.172 17.615 ( -8.575 4.612 5.100) 10.992 19.227 ( 14.711 -4.609 -7.672) 17.220 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -14.507 7.080 -0.387) 16.147 1.925 ( -22.815 -7.692 8.008) 25.374 2.129 ( 3.618 4.674 3.368) 6.803 2.448 ( -7.208 1.876 0.798) 7.491 2.869 ( -1.454 -1.049 -2.380) 2.980 3.597 ( -13.445 -2.106 -6.136) 14.929 3.836 ( -8.091 -2.351 -2.814) 8.883 3.935 ( 4.656 0.606 1.268) 4.864 4.782 ( 14.350 -3.793 -2.906) 15.124 5.178 ( -3.403 0.256 -1.911) 3.911 5.811 ( 11.678 2.778 -1.118) 12.056 6.120 ( 5.218 3.012 2.663) 6.587 6.142 ( -8.360 3.388 2.768) 9.435 6.944 ( -2.279 1.927 -2.243) 3.733 7.296 ( -2.562 -0.299 2.613) 3.672 7.409 ( 1.774 -9.099 -3.178) 9.800 7.772 ( -0.099 -1.354 1.807) 2.260 8.009 ( 9.326 3.428 2.146) 10.165 9.220 ( 6.145 -0.018 2.617) 6.679 10.004 ( -0.462 -2.635 -1.502) 3.068 10.094 ( -0.644 3.626 -8.765) 9.507 11.459 ( -0.551 -3.504 2.957) 4.618 11.586 ( -2.734 3.820 5.464) 7.205 11.983 ( 2.970 0.514 -1.092) 3.206 12.153 ( -3.683 0.249 0.798) 3.777 12.366 ( -10.458 -1.591 1.497) 10.683 16.222 ( -1.497 -0.102 -0.154) 1.508 17.214 ( -0.148 0.820 2.494) 2.630 17.520 ( -7.273 -0.465 -0.427) 7.300 19.389 ( 12.332 -0.069 -3.573) 12.839 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -20.705 0.164 7.945) 22.177 1.558 ( -24.568 5.598 10.767) 27.401 2.254 ( 2.927 5.238 0.951) 6.075 2.318 ( -7.036 -2.126 -5.622) 9.254 2.601 ( -31.210 8.522 1.225) 32.376 3.368 ( -3.531 0.761 -4.589) 5.840 3.723 ( -6.740 -1.976 8.948) 11.375 4.158 ( 21.202 -6.833 -0.885) 22.294 4.982 ( 6.633 1.992 0.987) 6.995 5.183 ( 11.406 0.324 -1.735) 11.542 5.936 ( 0.893 -7.830 5.737) 9.748 6.085 ( 0.093 5.861 -2.102) 6.227 6.253 ( 3.171 0.423 3.381) 4.655 6.931 ( -1.877 4.378 0.753) 4.823 7.149 ( -8.227 -5.775 -3.688) 10.706 7.381 ( 1.025 -0.989 -2.292) 2.698 7.771 ( -1.427 1.854 0.315) 2.360 8.243 ( 14.151 -0.763 4.224) 14.788 9.297 ( 4.147 -1.751 -3.375) 5.626 9.924 ( -0.823 -4.656 -3.112) 5.661 10.094 ( -3.497 9.884 -3.377) 11.014 11.448 ( 1.195 -4.651 4.005) 6.253 11.625 ( -1.802 3.591 4.081) 5.727 12.005 ( 0.997 -0.563 -5.385) 5.505 12.077 ( -4.084 -0.372 -1.721) 4.448 12.226 ( -8.261 -0.642 6.956) 10.819 16.198 ( -1.718 0.539 0.232) 1.816 17.229 ( -0.859 -0.122 0.869) 1.229 17.381 ( -3.921 -3.661 -4.148) 6.781 19.572 ( 9.275 2.930 0.572) 9.744 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -14.474 7.571 12.039) 20.292 1.659 ( -20.779 12.848 9.341) 26.155 2.153 ( 4.768 -2.525 2.434) 5.919 2.417 ( -1.072 7.627 3.581) 8.494 2.749 ( -4.417 6.415 -1.948) 8.029 3.483 ( -8.650 11.605 7.889) 16.485 4.010 ( 2.858 0.140 13.134) 13.442 4.133 ( 14.735 -5.434 4.533) 16.346 5.129 ( 0.965 1.258 4.370) 4.649 5.418 ( 7.969 -21.231 6.323) 23.542 5.953 ( 4.897 -8.368 -2.881) 10.114 6.001 ( -1.029 3.817 1.642) 4.281 6.156 ( 2.548 -1.079 4.539) 5.316 6.950 ( -5.764 -0.596 0.792) 5.849 7.195 ( 3.313 7.585 2.732) 8.716 7.343 ( -0.558 4.693 -6.550) 8.077 7.761 ( -2.290 -3.198 -3.917) 5.551 8.127 ( 1.079 -11.244 -5.173) 12.423 9.137 ( 3.997 -4.202 -4.591) 7.397 9.942 ( 1.277 2.454 -1.261) 3.040 10.263 ( -6.562 4.250 -0.852) 7.864 11.372 ( -1.414 -1.215 -3.167) 3.675 11.551 ( 0.802 -0.210 4.834) 4.904 11.957 ( -0.593 4.383 -2.072) 4.884 12.031 ( -1.045 -0.085 -0.326) 1.098 12.345 ( -2.057 6.295 6.178) 9.057 16.207 ( -1.879 1.095 0.313) 2.197 17.140 ( 3.673 4.214 -2.417) 6.090 17.400 ( 1.212 2.111 3.260) 4.068 19.625 ( -1.112 -9.001 -3.308) 9.654 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -5.513 18.704 4.013) 19.908 1.708 ( -3.945 15.687 17.948) 24.161 2.157 ( -0.492 -5.730 2.288) 6.189 2.497 ( -2.729 4.592 5.859) 7.929 2.761 ( -2.334 11.000 -1.936) 11.411 3.573 ( -2.303 13.134 12.796) 18.481 4.123 ( 4.902 -5.386 8.566) 11.243 4.376 ( 11.223 0.028 7.191) 13.329 5.124 ( -1.393 -10.798 7.525) 13.235 5.295 ( -3.321 -18.851 2.641) 19.322 5.703 ( -10.027 -3.966 -4.650) 11.743 6.028 ( 0.091 -0.781 -3.091) 3.189 6.417 ( 14.968 -7.825 6.218) 17.998 6.870 ( -4.037 -1.270 1.450) 4.474 7.277 ( -0.400 4.606 -3.623) 5.874 7.418 ( 8.942 2.394 -0.695) 9.283 7.631 ( -1.789 -5.416 -7.357) 9.309 7.990 ( -6.586 1.259 -0.734) 6.745 9.111 ( 1.957 -5.865 -4.254) 7.505 9.954 ( -0.913 1.930 -1.601) 2.669 10.119 ( -9.024 -1.536 -4.047) 10.008 11.443 ( 6.939 5.909 -0.503) 9.128 11.622 ( 1.826 1.062 6.713) 7.038 11.963 ( -1.216 3.286 -1.758) 3.920 12.012 ( -1.854 3.058 -2.732) 4.501 12.484 ( 3.298 9.195 9.782) 13.824 16.190 ( -1.187 0.730 -0.189) 1.407 17.268 ( 6.105 6.689 -1.782) 9.230 17.457 ( -0.279 3.317 2.710) 4.293 19.412 ( -5.939 -15.422 -4.864) 17.227 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 7.997 17.389 4.463) 19.653 1.954 ( 0.465 9.468 15.006) 17.750 2.122 ( 1.296 4.119 -0.845) 4.400 2.533 ( -0.916 2.076 10.193) 10.442 2.810 ( -1.617 9.804 -3.681) 10.597 3.798 ( 0.623 11.594 16.824) 20.441 4.167 ( 0.232 -7.245 6.650) 9.837 4.519 ( -4.426 3.831 4.945) 7.663 4.965 ( -6.485 -23.318 -0.128) 24.204 5.073 ( -1.218 -3.258 4.082) 5.363 5.542 ( -1.017 -5.487 -4.292) 7.040 6.076 ( 6.132 0.192 1.396) 6.292 6.392 ( -0.990 -19.935 -0.711) 19.972 6.800 ( -4.214 -2.256 0.322) 4.791 7.220 ( -0.602 -0.846 -9.483) 9.540 7.564 ( -4.308 5.755 -1.286) 7.302 7.662 ( 17.155 0.088 0.008) 17.155 7.955 ( -3.850 5.313 4.782) 8.119 9.033 ( -0.218 -5.972 -5.956) 8.437 9.934 ( -4.028 -0.902 0.699) 4.186 9.954 ( -3.152 0.954 -5.593) 6.491 11.592 ( 3.933 3.809 0.106) 5.477 11.709 ( 0.987 1.566 6.983) 7.224 11.954 ( -2.672 4.465 -2.983) 5.998 12.016 ( 1.560 3.852 -2.451) 4.825 12.727 ( 4.716 10.671 11.781) 16.580 16.182 ( -0.060 0.360 -0.523) 0.638 17.410 ( 4.883 5.622 -1.832) 7.668 17.484 ( -2.400 5.242 0.834) 5.825 19.128 ( -4.620 -17.988 -4.219) 19.045 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -0.480 0.759 2.835) 2.974 2.082 ( 3.509 11.085 1.154) 11.685 2.301 ( 2.652 9.369 3.499) 10.347 2.707 ( 10.405 2.859 14.006) 17.681 2.880 ( 0.538 12.259 -0.095) 12.271 3.906 ( -6.981 -11.854 8.081) 15.955 4.047 ( -12.255 2.005 11.097) 16.653 4.387 ( -9.368 4.770 -5.077) 11.674 4.734 ( -4.427 -12.373 5.329) 14.180 5.168 ( 7.271 3.139 2.751) 8.384 5.482 ( 3.306 -6.960 -4.421) 8.883 6.089 ( -0.454 -20.155 -0.110) 20.161 6.272 ( 8.763 -1.070 -0.565) 8.846 6.700 ( -3.307 -1.800 -2.352) 4.440 7.181 ( 0.542 0.817 -2.437) 2.627 7.521 ( -6.220 6.059 -2.340) 8.993 7.896 ( 10.623 -2.063 -0.591) 10.838 7.991 ( -2.557 4.638 5.442) 7.594 8.924 ( -1.065 -5.463 -6.066) 8.233 9.852 ( -0.466 -1.567 -3.188) 3.583 9.941 ( -0.630 1.679 -0.274) 1.814 11.646 ( -0.316 1.624 1.576) 2.285 11.759 ( -0.892 0.445 5.329) 5.421 11.924 ( -4.123 4.983 -2.660) 6.993 12.094 ( 4.269 4.693 -2.858) 6.958 12.954 ( 0.907 9.754 10.985) 14.718 16.189 ( 1.145 -0.027 -0.634) 1.310 17.437 ( -4.104 6.206 -4.802) 8.856 17.567 ( 3.577 5.102 4.258) 7.547 18.886 ( -0.333 -18.265 -4.575) 18.833 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -2.565 1.510 -3.093) 4.293 2.192 ( -0.706 5.646 -3.287) 6.571 2.351 ( -5.756 3.270 6.910) 9.569 2.952 ( -2.868 4.817 7.812) 9.616 3.129 ( 14.381 8.368 10.933) 19.909 3.607 ( -5.926 -6.768 -4.947) 10.266 4.011 ( -6.084 -5.560 15.792) 17.814 4.282 ( -5.096 3.116 -5.213) 7.928 4.578 ( -8.108 -5.504 0.343) 9.805 5.316 ( 3.130 3.890 1.992) 5.376 5.414 ( 1.969 -10.518 -4.923) 11.779 5.955 ( 4.528 -9.680 -1.718) 10.824 6.450 ( 11.272 0.856 -0.449) 11.313 6.672 ( 3.418 -1.208 -0.072) 3.626 7.206 ( 1.027 0.607 3.561) 3.756 7.442 ( -8.798 6.088 -2.780) 11.054 7.923 ( -0.878 -3.208 -4.241) 5.390 8.030 ( -1.824 2.140 5.037) 5.769 8.835 ( 0.196 -4.203 -3.198) 5.285 9.846 ( 4.236 -2.062 -3.612) 5.936 9.953 ( 0.283 1.487 0.404) 1.567 11.658 ( -0.461 0.432 2.596) 2.672 11.771 ( -1.487 0.116 3.355) 3.672 11.873 ( -5.966 4.103 -0.749) 7.279 12.180 ( 3.293 4.627 -3.927) 6.905 13.068 ( -4.641 6.839 7.963) 11.477 16.208 ( 1.908 -0.470 -0.705) 2.088 17.383 ( -5.264 5.528 -3.777) 8.517 17.717 ( 2.512 7.100 8.119) 11.074 18.710 ( 4.574 -17.502 -7.706) 19.663 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -4.566 5.879 -8.375) 11.205 2.116 ( -6.923 -2.676 2.254) 7.757 2.358 ( -4.677 6.125 7.236) 10.571 2.856 ( -9.008 -5.428 5.346) 11.798 3.380 ( -2.716 7.389 0.278) 7.877 3.700 ( 18.004 0.897 4.100) 18.487 3.973 ( -2.249 -4.554 10.400) 11.573 4.193 ( -4.637 -0.606 -3.208) 5.671 4.365 ( -7.639 -6.058 -5.404) 11.147 5.307 ( 2.404 -7.333 -3.710) 8.562 5.390 ( 0.468 1.246 1.498) 2.003 5.990 ( 4.554 0.323 -1.921) 4.953 6.615 ( 8.034 3.256 -4.173) 9.621 6.783 ( 10.371 -2.345 1.721) 10.771 7.254 ( -4.664 3.136 -1.694) 5.870 7.302 ( -7.952 1.472 5.268) 9.652 7.818 ( -3.595 -3.166 -2.716) 5.507 8.025 ( -3.134 -0.320 3.259) 4.532 8.816 ( 2.530 -1.990 -0.199) 3.225 9.885 ( 5.786 -2.550 -3.714) 7.333 9.984 ( 1.587 1.533 -0.248) 2.220 11.684 ( 0.804 -0.138 2.942) 3.053 11.748 ( -3.378 1.068 -0.687) 3.608 11.809 ( -5.634 1.821 3.230) 6.745 12.231 ( 1.552 3.629 -4.040) 5.648 13.043 ( -8.772 3.105 4.206) 10.212 16.228 ( 1.892 -0.814 -0.814) 2.215 17.327 ( -4.944 3.579 -0.727) 6.147 17.875 ( -2.913 10.585 11.997) 16.262 18.612 ( 11.837 -16.057 -12.250) 23.409 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -2.054 10.095 -5.091) 11.492 2.027 ( -3.176 -3.784 6.014) 7.783 2.379 ( -3.785 6.988 -1.140) 8.029 2.714 ( -5.615 -8.571 8.557) 13.349 3.282 ( -11.893 2.625 -1.001) 12.220 3.851 ( -5.844 -1.844 -2.236) 6.523 4.041 ( -6.159 0.059 -2.123) 6.515 4.115 ( 11.619 0.647 0.206) 11.639 4.253 ( 7.424 -9.006 2.134) 11.865 5.313 ( 5.983 -3.673 -0.957) 7.086 5.404 ( -1.586 4.362 -0.854) 4.720 6.047 ( 1.541 2.545 -1.038) 3.151 6.690 ( -3.430 5.880 -4.269) 8.035 6.933 ( 5.458 -1.352 1.159) 5.741 7.049 ( -5.002 1.354 -7.578) 9.180 7.357 ( 1.405 -3.099 9.456) 10.050 7.746 ( -1.355 -2.573 1.797) 3.419 7.976 ( -3.297 -1.331 0.851) 3.656 8.876 ( 5.324 -0.317 1.504) 5.542 9.928 ( 5.268 -2.811 -3.604) 6.975 10.028 ( 1.925 2.828 -1.205) 3.627 11.647 ( -5.060 -1.260 -0.456) 5.234 11.737 ( -4.078 4.104 4.532) 7.349 11.783 ( 1.956 -1.388 0.666) 2.489 12.248 ( 0.049 1.987 -2.516) 3.206 12.913 ( -10.729 -0.213 1.400) 10.822 16.241 ( 1.216 -0.752 -0.674) 1.581 17.282 ( -3.972 1.655 1.883) 4.696 17.932 ( -10.050 7.545 8.549) 15.199 18.665 ( 18.871 -8.888 -10.198) 23.219 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 1.336 7.568 -1.164) 7.773 2.031 ( 1.260 1.869 4.938) 5.428 2.329 ( -2.972 -1.782 -4.696) 5.837 2.624 ( -5.050 -4.761 8.543) 11.007 3.083 ( -16.409 3.709 3.006) 17.090 3.662 ( -3.242 -4.588 -9.239) 10.813 3.977 ( -0.618 0.059 -4.757) 4.797 4.114 ( -4.708 -2.026 2.283) 5.611 4.467 ( 13.192 -2.008 1.397) 13.417 5.325 ( -2.931 -0.356 0.630) 3.019 5.480 ( 7.608 3.030 -1.560) 8.336 6.068 ( -1.230 2.855 -0.090) 3.109 6.517 ( -16.996 5.355 0.208) 17.821 6.951 ( 1.526 4.567 -3.851) 6.165 7.132 ( 10.853 -3.104 -1.590) 11.400 7.374 ( 0.073 -6.057 4.332) 7.447 7.744 ( 1.086 -2.836 4.993) 5.844 7.918 ( -1.779 -0.446 -1.382) 2.297 8.989 ( 7.302 -0.370 0.975) 7.376 9.945 ( 3.603 -3.906 -3.948) 6.620 10.088 ( 0.970 6.563 -0.906) 6.696 11.547 ( -4.614 -2.151 0.282) 5.098 11.714 ( -5.053 2.449 4.761) 7.362 11.846 ( 4.949 0.453 -1.265) 5.128 12.239 ( -1.213 0.168 -0.386) 1.284 12.725 ( -11.076 -2.432 0.580) 11.354 16.245 ( 0.232 -0.252 -0.183) 0.388 17.255 ( -2.601 0.557 2.934) 3.960 17.816 ( -10.423 -0.610 -0.891) 10.478 18.894 ( 17.740 0.850 -2.518) 17.938 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -5.690 3.534 -1.849) 6.949 2.146 ( 0.483 4.711 -0.504) 4.762 2.187 ( -6.738 -10.354 11.911) 17.160 2.596 ( 1.807 2.041 -5.208) 5.878 2.857 ( -14.107 -0.139 1.355) 14.173 3.621 ( 3.363 2.213 -0.644) 4.077 3.894 ( -5.938 0.145 -7.105) 9.261 4.027 ( -7.182 0.225 3.162) 7.850 4.606 ( 6.635 1.455 -0.244) 6.797 5.245 ( -5.599 -2.155 0.435) 6.015 5.644 ( 9.688 2.003 0.015) 9.893 6.082 ( 1.645 -1.280 1.182) 2.396 6.357 ( -10.238 5.377 4.129) 12.279 6.993 ( -0.718 5.858 -1.804) 6.171 7.236 ( 6.638 -5.357 -4.401) 9.599 7.322 ( -1.133 -3.529 2.686) 4.578 7.776 ( 1.095 -1.953 4.735) 5.238 7.920 ( 4.384 -0.515 -1.429) 4.640 9.098 ( 7.393 -1.773 -2.483) 7.998 9.922 ( 1.121 -3.647 -2.875) 4.777 10.165 ( -0.603 9.698 -0.593) 9.735 11.469 ( -2.662 -3.177 1.813) 4.524 11.699 ( -2.923 2.145 3.908) 5.331 11.916 ( 4.013 1.026 -2.688) 4.938 12.201 ( -2.684 -1.447 -0.473) 3.086 12.533 ( -10.058 -3.069 2.891) 10.906 16.243 ( -0.739 0.448 0.377) 0.943 17.247 ( -1.177 0.182 2.806) 3.049 17.597 ( -8.469 -6.044 -7.124) 12.610 19.189 ( 13.944 5.752 2.098) 15.229 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -10.612 0.348 5.604) 12.006 1.959 ( -13.044 -2.976 9.770) 16.567 2.251 ( 0.870 2.313 -0.508) 2.523 2.488 ( -13.636 2.509 -3.203) 14.230 2.773 ( 6.176 -2.818 -6.242) 9.222 3.652 ( -18.474 11.881 1.472) 22.014 3.778 ( 4.943 -1.694 2.224) 5.678 3.945 ( -4.556 -0.051 4.571) 6.454 4.815 ( 15.383 5.290 1.651) 16.351 5.137 ( -4.115 -1.842 0.002) 4.508 5.800 ( 8.580 -4.849 1.457) 9.963 6.090 ( 1.739 -5.219 3.298) 6.414 6.314 ( -5.295 3.435 3.517) 7.226 7.009 ( -1.673 2.211 1.886) 3.353 7.162 ( -2.928 -1.039 -6.666) 7.354 7.354 ( 1.502 1.719 -0.494) 2.336 7.805 ( -0.028 1.617 1.475) 2.189 8.025 ( 11.322 -5.622 0.972) 12.678 9.151 ( 5.791 -3.288 -6.977) 9.645 9.891 ( -0.101 -1.397 -0.374) 1.450 10.234 ( -2.662 10.968 -0.390) 11.293 11.429 ( -0.428 -3.577 3.615) 5.104 11.698 ( -2.023 0.003 1.902) 2.777 11.948 ( 1.548 1.228 -5.448) 5.795 12.116 ( -3.616 -2.493 -1.524) 4.649 12.399 ( -7.763 -1.287 6.761) 10.374 16.235 ( -1.499 1.072 0.727) 1.981 17.242 ( -1.479 -2.051 -0.052) 2.529 17.373 ( -4.333 -4.570 -6.279) 8.893 19.463 ( 10.182 5.539 3.093) 11.997 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -5.847 -1.487 10.230) 11.876 2.036 ( -3.958 -0.445 0.824) 4.068 2.159 ( -7.440 5.930 5.901) 11.196 2.470 ( 2.825 2.516 6.152) 7.222 2.714 ( 3.420 2.839 -6.133) 7.575 3.748 ( -3.339 7.046 1.822) 8.007 3.823 ( 2.214 -4.592 0.837) 5.166 4.349 ( -4.950 13.201 15.531) 20.976 5.084 ( 2.506 -13.670 2.772) 14.172 5.206 ( 5.033 1.836 2.312) 5.835 5.660 ( 14.055 -5.275 -1.387) 15.076 6.078 ( -2.692 -6.171 0.528) 6.753 6.249 ( -7.755 3.372 6.075) 10.412 7.064 ( -7.554 0.929 -0.891) 7.663 7.188 ( 5.553 3.257 4.853) 8.062 7.368 ( -2.345 4.144 -7.369) 8.773 7.667 ( 1.465 -8.980 -11.472) 14.642 7.985 ( 5.495 -3.880 3.723) 7.689 9.000 ( 4.037 -3.924 -3.832) 6.810 9.932 ( 1.372 1.883 -1.311) 2.673 10.390 ( -6.542 1.200 -1.823) 6.896 11.383 ( -2.014 0.305 -1.011) 2.274 11.574 ( 0.236 0.390 3.970) 3.996 11.986 ( -0.160 0.842 -0.444) 0.965 12.042 ( 0.219 2.162 0.451) 2.220 12.475 ( -2.341 5.611 4.062) 7.312 16.253 ( -2.279 0.725 0.155) 2.396 17.115 ( 2.933 4.716 -1.153) 5.672 17.412 ( 2.241 1.233 3.884) 4.650 19.530 ( -0.935 -8.463 -4.746) 9.748 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -6.462 10.239 4.355) 12.867 2.008 ( -4.616 6.827 10.771) 13.562 2.130 ( -1.515 -3.945 2.515) 4.917 2.633 ( -0.459 7.178 11.803) 13.822 2.768 ( 4.720 5.353 -7.090) 10.059 3.739 ( -2.063 2.259 5.646) 6.421 3.932 ( 10.819 -2.302 1.817) 11.210 4.524 ( -2.209 14.035 12.878) 19.176 4.950 ( 2.040 -24.804 4.393) 25.273 5.273 ( 0.044 -1.123 1.493) 1.869 5.733 ( 0.904 -7.701 -5.441) 9.473 6.014 ( -1.230 -2.267 -0.752) 2.687 6.220 ( 0.282 0.159 3.150) 3.166 6.960 ( -6.093 -0.210 3.330) 6.946 7.254 ( -0.733 -3.217 -5.988) 6.837 7.346 ( 2.118 4.176 -3.919) 6.106 7.577 ( 2.747 -1.866 -2.904) 4.412 8.037 ( 1.221 -0.911 2.657) 3.063 8.989 ( 2.756 -5.626 -3.430) 7.143 9.957 ( 0.966 1.907 -2.774) 3.502 10.218 ( -9.323 -3.718 -4.124) 10.851 11.419 ( 2.941 6.487 0.315) 7.130 11.650 ( 2.327 1.790 6.741) 7.353 11.986 ( 0.294 0.412 0.064) 0.510 12.060 ( -1.950 4.228 -1.928) 5.039 12.583 ( 2.466 9.083 7.701) 12.161 16.220 ( -2.021 0.242 -0.474) 2.090 17.236 ( 4.537 8.061 -1.641) 9.394 17.494 ( 1.864 1.660 5.361) 5.913 19.320 ( -5.268 -14.945 -7.176) 17.395 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -0.137 18.223 3.589) 18.574 2.054 ( -0.590 -7.810 7.179) 10.624 2.181 ( 2.518 12.294 6.420) 14.096 2.694 ( -6.508 5.163 9.395) 12.542 2.852 ( 2.601 7.052 -4.967) 9.009 3.849 ( 7.405 -2.301 9.861) 12.545 4.096 ( 7.288 -0.610 4.313) 8.490 4.684 ( -1.398 7.132 2.140) 7.577 4.783 ( 1.731 -18.102 6.537) 19.324 5.163 ( -8.808 -7.626 1.945) 11.812 5.557 ( -7.809 -2.270 -6.796) 10.598 5.990 ( 3.963 -7.224 2.808) 8.705 6.196 ( -0.733 -6.463 -6.582) 9.253 6.884 ( -6.592 -0.964 2.949) 7.286 7.168 ( 0.637 -0.752 -6.009) 6.090 7.427 ( 7.677 0.201 -2.057) 7.951 7.654 ( 2.920 4.698 2.992) 6.289 8.061 ( -0.839 1.791 3.431) 3.960 8.933 ( 0.680 -6.113 -4.782) 7.791 9.956 ( -0.475 1.104 -4.513) 4.670 10.015 ( -7.427 -2.803 -1.846) 8.150 11.557 ( 5.056 5.207 0.544) 7.278 11.757 ( 2.054 2.584 7.042) 7.777 12.003 ( -0.742 2.633 -0.690) 2.821 12.040 ( -1.732 3.933 -2.738) 5.096 12.814 ( 5.853 10.549 10.626) 16.077 16.189 ( -1.161 -0.077 -0.799) 1.411 17.367 ( 4.557 7.061 -3.338) 9.043 17.560 ( -0.571 2.899 3.828) 4.836 19.022 ( -5.996 -17.327 -5.709) 19.203 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -3.146 3.001 0.674) 4.400 2.145 ( 6.037 11.872 5.045) 14.242 2.377 ( 2.010 8.499 4.614) 9.877 2.706 ( -0.376 0.350 10.175) 10.188 2.958 ( 3.517 11.505 -1.237) 12.094 3.936 ( -1.647 -11.616 9.508) 15.102 4.195 ( 0.402 0.699 4.039) 4.119 4.476 ( -6.609 -11.752 -8.066) 15.711 4.805 ( -5.886 -2.074 7.733) 9.938 5.071 ( 4.636 1.000 1.257) 4.906 5.424 ( -1.770 -1.581 -2.832) 3.695 5.890 ( -1.577 -17.704 -3.779) 18.172 6.165 ( 4.067 3.613 -0.491) 5.462 6.766 ( -6.792 -0.693 -0.307) 6.834 7.175 ( 1.229 0.798 1.106) 1.836 7.512 ( 5.814 -2.233 -5.419) 8.255 7.786 ( 4.297 4.528 3.520) 7.166 8.092 ( -1.189 2.512 4.069) 4.928 8.841 ( -0.409 -5.542 -5.561) 7.862 9.855 ( -3.665 -1.532 -4.093) 5.704 9.967 ( -0.943 1.222 0.043) 1.544 11.658 ( 2.153 2.323 0.859) 3.282 11.832 ( -1.481 0.997 6.706) 6.939 11.991 ( -0.913 3.925 -3.960) 5.650 12.074 ( 1.201 4.609 -0.744) 4.821 13.071 ( 4.264 9.216 10.098) 14.321 16.172 ( 0.028 -0.280 -0.825) 0.872 17.464 ( 3.059 4.858 -4.769) 7.463 17.589 ( -0.460 3.601 1.823) 4.063 18.751 ( -4.371 -15.775 -2.541) 16.565 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -3.343 2.944 -2.911) 5.321 2.297 ( -4.509 8.825 -0.487) 9.922 2.477 ( 0.589 4.021 6.478) 7.647 2.897 ( 15.140 -1.444 10.709) 18.601 3.153 ( 1.909 13.813 3.603) 14.402 3.645 ( -14.551 -15.229 -5.078) 21.667 4.162 ( -4.981 -6.531 13.336) 15.662 4.332 ( -2.961 4.249 -10.340) 11.565 4.697 ( -7.425 -4.647 2.666) 9.157 5.183 ( 7.878 -4.143 0.244) 8.904 5.375 ( -3.347 -1.470 -2.221) 4.277 5.769 ( 5.771 -6.226 -0.560) 8.508 6.297 ( 8.045 2.262 0.202) 8.360 6.680 ( -3.360 1.014 0.826) 3.605 7.223 ( 1.369 0.261 5.093) 5.281 7.518 ( 1.615 -0.470 -5.748) 5.989 7.862 ( 0.234 0.238 -2.008) 2.036 8.112 ( -2.008 1.484 3.296) 4.135 8.763 ( 0.762 -4.161 -3.341) 5.391 9.791 ( -0.522 -0.247 -2.488) 2.554 9.970 ( -0.178 1.084 0.526) 1.218 11.684 ( -0.819 0.587 0.740) 1.250 11.834 ( -2.662 -0.623 5.692) 6.314 11.989 ( -2.643 4.094 -0.951) 4.965 12.137 ( 2.854 4.199 -3.618) 6.234 13.225 ( -1.423 5.312 6.592) 8.584 16.174 ( 1.091 -0.428 -0.703) 1.366 17.469 ( -2.625 3.544 -4.064) 5.997 17.699 ( 8.184 3.737 2.015) 9.220 18.541 ( -4.042 -12.132 -1.572) 12.883 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -3.459 6.512 -6.819) 10.043 2.234 ( -7.447 2.050 0.022) 7.724 2.535 ( -2.988 0.595 8.581) 9.106 3.020 ( -15.196 -7.135 1.994) 16.906 3.308 ( 20.669 -0.606 3.268) 20.935 3.463 ( 2.466 3.158 -1.587) 4.309 4.125 ( -6.190 -1.226 9.923) 11.759 4.239 ( -3.345 3.447 -9.214) 10.391 4.492 ( -13.759 -3.355 -0.416) 14.168 5.176 ( 0.709 -6.623 -3.041) 7.323 5.392 ( 5.139 1.303 4.240) 6.788 5.863 ( 7.436 -0.651 -1.139) 7.550 6.465 ( 10.381 1.980 -1.611) 10.690 6.695 ( 1.644 1.916 2.913) 3.855 7.290 ( 1.561 -0.292 6.699) 6.884 7.475 ( -4.091 1.301 -3.965) 5.844 7.780 ( -3.122 -3.158 -6.760) 8.088 8.091 ( -3.343 -0.566 1.852) 3.863 8.750 ( 2.626 -1.946 -0.416) 3.295 9.793 ( 1.872 0.546 -1.308) 2.348 9.990 ( 0.667 1.290 0.887) 1.702 11.675 ( -0.123 -0.805 0.421) 0.917 11.810 ( -3.372 -0.614 2.692) 4.359 11.962 ( -5.597 2.777 3.388) 7.107 12.188 ( 3.135 2.910 -5.644) 7.082 13.211 ( -6.811 0.462 2.092) 7.140 16.188 ( 1.647 -0.463 -0.509) 1.785 17.422 ( -3.878 1.740 -0.671) 4.303 17.945 ( 14.381 5.312 2.977) 15.617 18.352 ( -5.888 -8.347 -3.116) 10.680 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -2.469 10.140 -8.078) 13.197 2.122 ( -7.280 -1.665 4.607) 8.775 2.470 ( -6.016 -4.818 -2.420) 8.079 2.772 ( -5.546 -7.511 5.177) 10.676 3.477 ( -5.312 8.554 0.863) 10.106 3.674 ( 18.149 -5.949 -2.574) 19.272 4.018 ( -5.437 -1.385 -0.508) 5.634 4.202 ( -2.198 -0.534 -4.569) 5.098 4.246 ( -12.672 4.147 5.592) 14.458 5.175 ( 5.549 -0.997 -0.325) 5.647 5.487 ( -0.884 3.373 2.606) 4.353 5.971 ( 7.366 -0.361 -0.696) 7.407 6.640 ( 10.381 2.441 -2.848) 11.038 6.792 ( 5.030 1.313 3.718) 6.391 7.280 ( -13.103 3.649 -3.559) 14.060 7.373 ( -1.551 -4.152 6.487) 7.857 7.685 ( 2.249 -4.638 -5.911) 7.843 8.025 ( -4.104 -1.404 0.228) 4.343 8.796 ( 4.078 -0.341 0.266) 4.101 9.833 ( 2.492 0.525 -0.149) 2.551 10.035 ( 1.898 2.946 1.043) 3.656 11.671 ( 0.447 -2.766 0.163) 2.806 11.755 ( -2.996 0.389 -0.504) 3.063 11.909 ( -6.474 1.787 4.231) 7.938 12.220 ( 2.397 1.081 -3.962) 4.755 13.063 ( -9.286 -3.446 -0.993) 9.955 16.210 ( 1.650 -0.198 -0.090) 1.664 17.370 ( -3.937 -0.121 2.137) 4.481 18.128 ( -2.157 -11.757 -11.111) 16.320 18.306 ( 11.374 13.091 9.662) 19.852 ======================= Grid point 52 (44/226) ======================= q-point: (-0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.127 7.385 -4.691) 8.749 2.079 ( -0.760 1.306 6.129) 6.312 2.270 ( -3.804 -7.787 -11.355) 14.284 2.688 ( -4.080 -8.150 7.070) 11.535 3.476 ( -13.712 12.090 9.167) 20.450 3.556 ( -2.459 -9.693 -16.090) 18.945 4.034 ( -2.654 2.053 -1.058) 3.518 4.170 ( -0.445 0.782 0.578) 1.070 4.265 ( 7.689 3.999 5.182) 10.098 5.293 ( 5.676 0.440 1.881) 5.996 5.478 ( -2.269 4.012 -1.310) 4.792 6.061 ( 3.180 -1.009 0.876) 3.449 6.798 ( 0.446 7.827 -0.218) 7.843 6.905 ( 7.044 -4.298 2.015) 8.494 7.030 ( -11.786 4.153 -2.192) 12.688 7.356 ( -0.531 -5.671 3.868) 6.885 7.673 ( 4.778 -5.087 -2.677) 7.475 7.944 ( -3.780 -0.695 -1.356) 4.075 8.871 ( 5.536 -0.357 -1.044) 5.645 9.869 ( 1.542 -0.335 0.511) 1.659 10.127 ( 2.766 6.407 1.598) 7.159 11.602 ( -4.311 -3.459 0.210) 5.531 11.751 ( 2.248 -1.250 -1.677) 3.070 11.857 ( -4.331 3.282 1.759) 5.711 12.232 ( 0.928 -1.028 -1.009) 1.713 12.855 ( -9.377 -5.496 -1.401) 10.959 16.235 ( 1.138 0.324 0.491) 1.281 17.323 ( -3.231 -1.309 3.336) 4.826 17.872 ( -6.625 -9.583 -12.139) 16.825 18.706 ( 13.959 12.544 8.815) 20.734 ======================= Grid point 53 (45/226) ======================= q-point: (-0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 0.370 2.956 -0.623) 3.043 2.072 ( 0.662 -11.847 -8.501) 14.597 2.194 ( 3.735 4.326 6.385) 8.569 2.553 ( -5.448 -5.196 -2.507) 7.935 3.160 ( -16.679 -5.874 -5.112) 18.407 3.624 ( 2.500 9.387 5.026) 10.937 3.956 ( -5.904 -0.031 -2.554) 6.433 4.181 ( -3.963 11.555 2.592) 12.488 4.489 ( 10.153 0.955 1.362) 10.289 5.297 ( -2.807 -3.035 0.979) 4.249 5.557 ( 4.941 4.447 -0.098) 6.648 6.057 ( -0.514 -4.157 0.755) 4.256 6.648 ( -16.677 2.742 4.838) 17.580 7.003 ( 6.067 -6.191 0.409) 8.677 7.079 ( 4.974 11.196 -4.685) 13.116 7.321 ( -0.327 -3.480 3.742) 5.120 7.701 ( 6.542 -6.829 0.422) 9.466 7.878 ( -2.272 0.530 -3.027) 3.822 8.943 ( 5.947 -1.397 -3.681) 7.132 9.884 ( 0.428 -0.657 0.887) 1.184 10.254 ( 1.710 9.294 1.961) 9.652 11.503 ( -3.793 -3.336 0.893) 5.130 11.738 ( 0.140 -2.925 -0.613) 2.992 11.874 ( 0.974 4.648 -1.821) 5.086 12.208 ( -1.224 -3.130 -0.448) 3.390 12.657 ( -7.885 -5.205 1.291) 9.536 16.258 ( 0.266 0.916 0.994) 1.378 17.286 ( -1.975 -2.230 3.044) 4.259 17.583 ( -7.090 -8.661 -12.828) 17.024 19.092 ( 11.865 11.412 7.958) 18.285 ======================= Grid point 54 (46/226) ======================= q-point: (-0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -4.365 -2.248 0.307) 4.920 2.019 ( 5.377 -9.646 3.869) 11.701 2.262 ( -2.371 -2.798 3.505) 5.073 2.475 ( 3.538 4.126 -10.058) 11.433 2.836 ( -14.444 -1.903 -2.229) 14.738 3.757 ( -0.119 3.794 2.497) 4.544 3.854 ( -2.737 -0.168 -0.229) 2.751 4.253 ( -9.919 16.005 7.226) 20.169 4.663 ( 9.951 5.862 0.631) 11.567 5.217 ( -5.189 -1.032 1.141) 5.412 5.631 ( 4.724 -6.896 0.047) 8.359 6.036 ( 2.027 -2.091 2.109) 3.596 6.481 ( -9.719 -1.164 5.416) 11.187 7.006 ( 1.982 -4.890 1.336) 5.442 7.185 ( -0.649 9.809 -6.734) 11.916 7.355 ( 1.620 2.042 3.003) 3.976 7.765 ( 9.775 -9.415 1.097) 13.616 7.840 ( -0.827 1.412 -3.494) 3.858 8.984 ( 5.122 -2.378 -5.812) 8.103 9.890 ( -0.028 -0.010 1.174) 1.174 10.367 ( -0.716 9.925 1.573) 10.075 11.438 ( -1.690 -3.132 2.323) 4.250 11.703 ( -0.446 -3.584 -1.179) 3.800 11.921 ( 1.181 4.619 -3.500) 5.914 12.127 ( -2.864 -4.458 -1.200) 5.433 12.532 ( -5.631 -2.455 4.717) 7.745 16.273 ( -0.748 1.364 1.216) 1.975 17.226 ( -2.562 -6.510 -3.135) 7.666 17.365 ( -3.202 -1.499 -4.841) 5.995 19.395 ( 8.597 7.251 5.030) 12.320 ======================= Grid point 56 (47/226) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 3.745 -4.142 6.558) 8.613 2.016 ( 2.297 -4.208 2.902) 5.604 2.290 ( -1.137 5.527 -4.880) 7.460 2.463 ( 2.626 -0.836 5.503) 6.155 2.803 ( -4.800 8.750 4.700) 11.031 3.756 ( -0.930 2.529 -1.825) 3.254 3.918 ( -2.554 1.934 3.028) 4.408 4.463 ( 3.080 -1.714 2.780) 4.489 4.959 ( -1.060 -18.221 -0.024) 18.252 5.222 ( 0.424 3.486 1.697) 3.900 5.474 ( 5.919 7.820 -0.972) 9.855 6.044 ( -0.548 -5.373 0.299) 5.409 6.476 ( -6.770 7.627 7.323) 12.555 7.082 ( 6.253 0.578 -3.004) 6.962 7.252 ( -5.791 0.572 8.254) 10.099 7.389 ( -3.305 1.494 -7.820) 8.620 7.439 ( 4.346 -8.045 -9.074) 12.882 7.917 ( 3.904 -1.060 3.293) 5.216 8.898 ( 1.902 -2.421 -1.604) 3.471 9.917 ( 0.809 0.817 -1.429) 1.834 10.462 ( -4.851 -3.051 -2.508) 6.255 11.420 ( -0.485 2.759 0.629) 2.871 11.603 ( -0.456 1.157 2.406) 2.708 11.970 ( 0.200 -4.062 1.814) 4.453 12.076 ( 0.901 5.794 -0.012) 5.863 12.568 ( -0.546 4.736 1.394) 4.967 16.289 ( -1.759 -0.152 -0.486) 1.831 17.123 ( 2.520 6.341 1.614) 7.011 17.404 ( 2.761 0.345 3.650) 4.590 19.442 ( -2.547 -8.237 -5.721) 10.348 ======================= Grid point 57 (48/226) ======================= q-point: ( 0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 2.696 3.041 8.004) 8.976 2.046 ( 2.164 -5.913 6.468) 9.027 2.202 ( -4.164 1.562 -3.889) 5.908 2.640 ( 8.636 5.922 -0.956) 10.515 2.879 ( -4.694 11.527 12.947) 17.959 3.786 ( 1.358 -0.268 0.877) 1.638 3.884 ( -3.285 5.616 0.077) 6.507 4.571 ( 9.763 -5.550 4.459) 12.083 4.745 ( 0.039 -21.922 0.124) 21.922 5.274 ( -0.500 2.033 -1.087) 2.359 5.572 ( 4.397 -1.144 -2.452) 5.163 6.008 ( -0.982 -1.242 -0.436) 1.642 6.427 ( -12.995 6.819 4.522) 15.356 7.093 ( -4.136 2.322 3.223) 5.734 7.184 ( -2.328 -8.366 -5.066) 10.054 7.357 ( -0.810 5.947 -2.978) 6.700 7.437 ( 8.873 -2.407 -1.826) 9.374 7.995 ( 4.197 -1.449 3.100) 5.415 8.887 ( 1.521 -3.894 -1.796) 4.550 9.929 ( 1.363 0.855 -3.031) 3.432 10.287 ( -7.734 -5.737 -4.111) 10.471 11.464 ( 0.098 6.408 1.039) 6.493 11.665 ( 2.660 1.940 4.669) 5.713 11.965 ( 1.696 -2.392 1.936) 3.514 12.123 ( -1.486 4.937 -1.205) 5.295 12.668 ( 2.872 8.601 4.816) 10.267 16.249 ( -2.068 -0.455 -0.945) 2.319 17.254 ( 2.702 9.495 -0.641) 9.892 17.505 ( 3.614 1.138 8.116) 8.957 19.211 ( -5.492 -14.540 -9.301) 18.113 ======================= Grid point 58 (49/226) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 2.686 -0.680 8.491) 8.931 2.040 ( -1.954 5.055 4.225) 6.872 2.241 ( 5.033 5.819 1.308) 7.804 2.787 ( 6.568 6.102 -6.169) 10.882 2.976 ( -9.511 8.557 13.360) 18.498 3.786 ( 1.777 -2.272 5.525) 6.232 4.005 ( 8.138 5.178 0.701) 9.671 4.522 ( 1.718 -23.141 0.585) 23.212 4.733 ( 9.182 -3.614 0.538) 9.882 5.193 ( -4.775 -5.315 -1.708) 7.346 5.587 ( -1.261 -0.351 -5.019) 5.187 5.915 ( -4.447 -5.924 -0.563) 7.428 6.300 ( -10.861 7.128 0.198) 12.993 7.008 ( -6.011 -2.730 -4.029) 7.734 7.121 ( -0.393 0.275 6.776) 6.793 7.365 ( 0.670 2.373 -2.910) 3.815 7.604 ( 9.009 2.132 1.787) 9.429 8.064 ( 3.093 -0.560 2.621) 4.093 8.846 ( 0.224 -4.572 -2.871) 5.403 9.926 ( 0.591 -0.289 -4.657) 4.703 10.090 ( -6.912 -3.743 -2.297) 8.189 11.551 ( 2.291 5.351 1.195) 5.942 11.769 ( 3.746 2.227 3.743) 5.745 12.011 ( 2.826 0.886 2.238) 3.712 12.103 ( -3.823 3.093 -2.234) 5.401 12.879 ( 6.048 10.103 8.084) 14.282 16.205 ( -1.770 -0.497 -1.006) 2.096 17.363 ( 2.246 7.857 -3.252) 8.795 17.623 ( 0.476 3.014 8.212) 8.761 18.903 ( -5.109 -16.879 -8.771) 19.696 ======================= Grid point 59 (50/226) ======================= q-point: ( 0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.102 -5.909 3.693) 6.969 2.221 ( 3.467 14.977 5.123) 16.204 2.417 ( 4.996 7.147 1.525) 8.853 2.891 ( -12.254 3.245 6.197) 14.110 2.947 ( 8.132 8.046 -0.340) 11.445 3.858 ( 4.366 -9.006 4.857) 11.125 4.177 ( 5.601 3.003 1.952) 6.648 4.345 ( 0.132 -15.169 -0.969) 15.200 4.803 ( 4.244 -8.644 -1.785) 9.794 5.079 ( -2.631 0.025 0.379) 2.658 5.435 ( -5.971 -1.785 -6.033) 8.674 5.816 ( -3.065 -5.542 -0.296) 6.340 6.227 ( -5.623 6.679 0.676) 8.757 6.868 ( -5.492 -1.540 -2.926) 6.411 7.176 ( 0.153 0.053 7.820) 7.822 7.383 ( 2.582 0.303 -4.486) 5.185 7.772 ( 6.305 2.915 2.881) 7.520 8.122 ( 1.886 0.453 2.455) 3.129 8.773 ( -1.065 -4.025 -3.886) 5.696 9.861 ( -2.372 -2.217 -4.398) 5.467 9.997 ( -2.008 0.115 -0.117) 2.014 11.642 ( 2.949 2.627 1.077) 4.094 11.866 ( 3.152 2.076 1.540) 4.076 12.036 ( -4.682 1.314 -0.291) 4.872 12.091 ( 2.411 2.894 0.661) 3.824 13.131 ( 6.124 8.477 7.895) 13.103 16.172 ( -0.975 -0.397 -0.774) 1.307 17.434 ( 1.971 4.898 -3.425) 6.293 17.664 ( -3.321 2.810 3.269) 5.442 18.650 ( -2.120 -13.698 -4.210) 14.486 ======================= Grid point 60 (51/226) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -1.463 0.031 -0.171) 1.473 2.440 ( 1.491 9.637 1.400) 9.852 2.500 ( 1.016 1.493 1.366) 2.264 2.795 ( -0.674 -1.788 5.273) 5.609 3.235 ( 9.204 15.710 5.081) 18.903 3.671 ( -10.291 -18.489 -6.125) 22.028 4.227 ( -1.147 -6.261 10.110) 11.947 4.321 ( 2.552 5.742 -6.917) 9.345 4.700 ( -1.833 -7.683 -1.532) 8.046 5.077 ( 1.371 -1.329 -0.423) 1.955 5.401 ( 0.967 0.486 -0.472) 1.180 5.697 ( -2.672 -1.771 -0.531) 3.250 6.249 ( 1.160 2.952 0.875) 3.290 6.773 ( -4.200 0.964 0.198) 4.314 7.227 ( 1.395 -1.157 5.808) 6.085 7.389 ( 3.199 -1.045 -6.376) 7.209 7.877 ( 1.197 1.546 1.206) 2.297 8.158 ( -0.105 0.592 1.504) 1.620 8.703 ( -0.249 -2.477 -2.453) 3.495 9.794 ( -1.263 -0.577 -1.695) 2.191 9.984 ( -0.362 0.444 0.101) 0.582 11.697 ( 0.746 0.742 0.516) 1.173 11.913 ( -1.698 -0.297 3.895) 4.259 11.995 ( 0.734 2.045 -3.285) 3.939 12.144 ( 0.247 2.242 0.231) 2.267 13.302 ( 1.699 3.863 4.177) 5.938 16.157 ( 0.041 -0.243 -0.413) 0.481 17.471 ( 1.139 1.869 -2.913) 3.644 17.655 ( 0.074 1.295 0.792) 1.519 18.513 ( -1.928 -6.439 -0.401) 6.734 ======================= Grid point 61 (52/226) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -2.695 5.192 -4.317) 7.270 2.379 ( -7.842 1.094 -0.930) 7.972 2.556 ( 1.229 -6.211 4.298) 7.653 2.960 ( 16.319 -1.010 1.890) 16.459 3.215 ( -16.755 -15.107 -7.361) 23.730 3.540 ( 2.701 16.748 6.910) 18.318 4.227 ( -0.821 0.982 1.561) 2.019 4.273 ( -6.015 0.216 -6.180) 8.627 4.637 ( -4.012 1.029 1.491) 4.402 5.109 ( 2.528 -2.515 -0.349) 3.583 5.353 ( -0.279 -0.571 3.310) 3.371 5.761 ( 5.827 1.665 0.222) 6.064 6.320 ( 6.407 -1.053 -0.542) 6.516 6.762 ( -1.585 3.756 3.628) 5.457 7.285 ( 3.592 -1.289 2.505) 4.565 7.380 ( 2.931 -2.678 -6.158) 7.327 7.836 ( -6.122 -0.237 -2.502) 6.617 8.144 ( -2.487 -0.082 0.077) 2.490 8.701 ( 1.990 -0.217 0.788) 2.151 9.789 ( 0.515 1.430 0.731) 1.686 9.992 ( 0.613 0.358 0.495) 0.865 11.685 ( -1.735 -0.750 -0.531) 1.963 11.880 ( -3.610 -1.598 3.908) 5.555 12.036 ( 2.197 1.581 -0.431) 2.741 12.142 ( -0.700 0.891 -3.121) 3.320 13.298 ( -4.350 -2.029 -0.992) 4.901 16.162 ( 0.933 -0.062 -0.027) 0.935 17.465 ( -1.102 -0.718 -0.318) 1.353 17.735 ( 8.887 -0.921 -0.876) 8.978 18.445 ( -4.356 2.387 1.762) 5.271 ======================= Grid point 63 (53/226) ======================= q-point: (-0.36 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -2.482 9.276 -6.907) 11.828 2.259 ( -6.341 -0.836 0.072) 6.397 2.439 ( -5.177 -15.062 -2.425) 16.111 2.846 ( -9.535 -7.496 2.053) 12.301 3.240 ( 18.984 -4.838 -5.527) 20.355 3.705 ( -2.880 11.558 4.422) 12.706 4.105 ( -8.287 -3.099 -2.761) 9.268 4.229 ( -1.958 7.395 -4.940) 9.106 4.552 ( -12.654 6.562 5.006) 15.108 5.114 ( 2.717 1.389 0.112) 3.053 5.497 ( 6.553 1.426 6.469) 9.318 5.849 ( 5.320 1.248 -1.085) 5.572 6.431 ( 10.818 -4.265 -0.905) 11.663 6.832 ( 0.553 5.650 5.525) 7.922 7.333 ( 5.141 -2.922 -9.819) 11.462 7.355 ( 0.147 -3.096 3.589) 4.742 7.669 ( -9.610 -1.472 -3.222) 10.242 8.084 ( -4.023 -0.212 -0.940) 4.137 8.755 ( 2.294 1.522 1.634) 3.201 9.836 ( 0.891 2.368 3.037) 3.953 10.026 ( 2.520 1.474 0.911) 3.058 11.640 ( -0.862 -2.609 -0.885) 2.887 11.818 ( -4.289 -1.204 0.732) 4.515 12.035 ( -4.794 -0.299 2.681) 5.501 12.141 ( 4.115 -0.001 -4.443) 6.056 13.134 ( -7.533 -6.546 -4.499) 10.947 16.185 ( 1.550 0.257 0.473) 1.640 17.425 ( -2.371 -2.984 2.423) 4.516 17.835 ( 8.307 -6.961 -8.029) 13.488 18.491 ( -1.036 13.411 7.910) 15.604 ======================= Grid point 64 (54/226) ======================= q-point: (-0.27 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -2.806 10.040 -8.137) 13.224 2.162 ( -5.978 -5.436 1.096) 8.154 2.176 ( -2.281 -6.521 -5.902) 9.086 2.718 ( -4.282 -7.851 6.135) 10.844 3.312 ( 6.580 -10.450 -16.083) 20.277 3.766 ( -3.512 3.931 3.584) 6.374 3.969 ( 0.971 -4.345 1.423) 4.674 4.282 ( -2.892 18.280 -1.093) 18.540 4.446 ( -12.521 8.099 4.109) 15.467 5.230 ( 5.831 3.187 2.251) 7.016 5.546 ( -3.016 0.540 0.741) 3.152 5.980 ( 6.611 0.406 1.763) 6.854 6.584 ( 14.366 -5.377 -0.782) 15.360 6.949 ( 1.332 7.482 5.284) 9.257 7.244 ( -5.342 -4.548 -5.000) 8.615 7.347 ( -2.761 -0.999 2.581) 3.909 7.517 ( -0.291 -4.064 -5.191) 6.599 8.006 ( -4.546 0.536 -1.563) 4.837 8.814 ( 1.941 1.912 0.581) 2.786 9.881 ( -0.338 0.953 3.513) 3.656 10.131 ( 5.129 5.144 2.421) 7.657 11.592 ( -0.282 -5.071 -0.878) 5.154 11.739 ( -3.196 -0.818 -1.855) 3.785 11.958 ( -4.647 1.045 -0.752) 4.822 12.179 ( 2.939 -2.146 -0.199) 3.645 12.904 ( -7.267 -8.373 -4.670) 12.030 16.222 ( 1.699 0.643 0.965) 2.057 17.367 ( -2.540 -4.920 3.562) 6.584 17.738 ( -0.959 -8.186 -13.588) 15.893 18.765 ( 6.744 16.786 11.686) 21.536 ======================= Grid point 65 (55/226) ======================= q-point: (-0.18 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -1.823 -1.388 -7.489) 7.831 2.004 ( -4.158 -0.173 -6.612) 7.812 2.216 ( 3.370 2.652 6.347) 7.660 2.584 ( -6.083 -6.915 -0.214) 9.213 3.129 ( -0.844 -11.664 -13.534) 17.887 3.742 ( -2.431 1.548 4.631) 5.455 4.000 ( 0.674 -2.550 -2.142) 3.398 4.387 ( -3.032 4.963 2.804) 6.456 4.463 ( -1.293 24.371 3.232) 24.618 5.299 ( -0.390 -3.017 0.836) 3.155 5.540 ( 1.627 2.349 0.287) 2.872 6.026 ( 0.368 -3.199 0.751) 3.307 6.736 ( 10.156 -9.586 -3.373) 14.367 7.003 ( -12.167 3.726 5.951) 14.047 7.127 ( 1.416 8.797 -0.380) 8.918 7.325 ( -0.435 -0.761 3.312) 3.426 7.493 ( 6.643 -7.244 -4.991) 11.023 7.929 ( -4.223 1.174 -2.046) 4.837 8.859 ( 1.915 1.152 -0.916) 2.415 9.896 ( -0.581 -0.043 2.579) 2.644 10.301 ( 4.828 7.773 3.477) 9.789 11.518 ( -1.885 -5.292 -0.366) 5.630 11.682 ( 0.010 -2.381 -3.058) 3.876 11.919 ( -1.724 4.036 -2.006) 4.825 12.178 ( 0.303 -4.397 0.232) 4.414 12.703 ( -5.043 -7.254 -1.621) 8.983 16.262 ( 1.320 0.966 1.253) 2.061 17.294 ( -2.051 -7.398 1.969) 7.926 17.526 ( -5.092 -4.495 -12.473) 14.202 19.115 ( 7.965 13.931 10.198) 19.014 ======================= Grid point 66 (56/226) ======================= q-point: (-0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 1.252 -7.228 -5.610) 9.234 1.956 ( -0.741 3.955 -0.363) 4.040 2.299 ( -1.756 -5.746 6.452) 8.816 2.455 ( -0.719 4.209 -6.612) 7.870 2.932 ( -4.320 -6.589 -5.349) 9.523 3.795 ( 3.381 1.062 2.938) 4.604 3.903 ( -6.431 -0.138 -2.676) 6.967 4.440 ( 1.445 1.077 1.925) 2.637 4.722 ( 0.828 24.354 5.051) 24.887 5.250 ( -0.446 -1.770 -0.795) 1.991 5.531 ( -1.186 -10.256 -0.190) 10.326 6.020 ( 1.045 1.611 0.992) 2.162 6.625 ( -6.126 -8.489 -0.872) 10.504 6.950 ( -1.176 0.449 2.994) 3.248 7.259 ( 0.050 11.015 -1.961) 11.189 7.370 ( 2.109 1.885 3.522) 4.517 7.510 ( 7.813 -9.413 -2.598) 12.506 7.870 ( -2.508 1.095 -1.481) 3.112 8.886 ( 1.862 -0.009 -1.947) 2.694 9.902 ( -0.289 -0.025 1.507) 1.535 10.453 ( 2.058 7.132 2.536) 7.845 11.445 ( -1.537 -3.504 0.249) 3.835 11.650 ( 1.021 -2.928 -2.074) 3.731 11.939 ( 0.215 5.305 -2.530) 5.882 12.111 ( -1.885 -5.756 -0.555) 6.082 12.592 ( -2.505 -3.684 1.721) 4.776 16.296 ( 0.492 1.064 1.182) 1.665 17.170 ( -2.561 -7.889 -4.047) 9.229 17.382 ( -2.838 0.079 -3.474) 4.486 19.390 ( 5.511 8.011 5.923) 11.385 ======================= Grid point 135 (57/226) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -0.000 -0.000 28.327) 28.327 0.601 ( -0.000 -0.000 28.327) 28.327 1.094 ( -0.000 -0.000 52.810) 52.810 2.364 ( -0.000 -0.000 1.221) 1.221 2.364 ( -0.000 -0.000 1.221) 1.221 3.372 ( 0.000 0.000 -6.442) 6.442 4.915 ( 0.000 0.000 -10.366) 10.366 4.959 ( -0.000 -0.000 3.406) 3.406 4.959 ( -0.000 -0.000 3.406) 3.406 5.508 ( -0.000 -0.000 6.037) 6.037 6.316 ( 0.000 0.000 -3.844) 3.844 6.316 ( 0.000 0.000 -3.844) 3.844 6.774 ( -0.000 -0.000 2.549) 2.549 6.774 ( -0.000 -0.000 2.549) 2.549 7.250 ( -0.000 -0.000 0.399) 0.399 7.371 ( 0.000 0.000 0.452) 0.452 7.371 ( 0.000 -0.000 0.452) 0.452 8.156 ( 0.000 0.000 -10.885) 10.885 9.444 ( -0.000 -0.000 7.243) 7.243 9.911 ( 0.000 0.000 -1.032) 1.032 9.911 ( 0.000 0.000 -1.032) 1.032 11.500 ( 0.000 0.000 -3.609) 3.609 11.500 ( 0.000 0.000 -3.609) 3.609 11.701 ( 0.000 0.000 -0.966) 0.966 12.002 ( -0.000 -0.000 4.914) 4.914 12.002 ( -0.000 -0.000 4.914) 4.914 16.147 ( -0.000 -0.000 0.515) 0.515 17.171 ( 0.000 0.000 -0.563) 0.563 17.171 ( -0.000 -0.000 -0.563) 0.563 19.938 ( 0.000 0.000 -0.182) 0.182 ======================= Grid point 136 (58/226) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 14.730 20.099 16.921) 30.121 1.087 ( 13.786 12.578 24.894) 31.112 1.676 ( 22.971 3.886 35.916) 42.810 2.297 ( -3.350 -3.422 0.595) 4.825 2.466 ( 5.849 2.675 5.178) 8.257 3.320 ( -0.348 -0.316 -4.596) 4.619 4.425 ( -25.781 -12.451 15.977) 32.787 4.786 ( -16.382 -7.128 -3.068) 18.127 5.046 ( 3.378 -3.349 1.080) 4.878 5.740 ( 10.503 9.190 3.499) 14.388 6.080 ( -9.425 -14.190 -4.613) 17.648 6.290 ( -3.030 -10.255 1.077) 10.748 6.437 ( -28.703 -0.371 19.626) 34.773 6.836 ( 5.145 1.379 -0.233) 5.331 6.988 ( 1.728 -0.292 7.010) 7.225 7.295 ( -2.556 -0.774 -3.143) 4.124 7.701 ( 5.838 1.061 0.592) 5.963 8.279 ( 8.680 10.340 -24.203) 27.713 9.350 ( -8.223 -4.868 5.445) 10.999 9.910 ( 0.171 -0.899 -0.717) 1.162 9.952 ( 7.795 -3.167 -1.523) 8.551 11.463 ( -4.341 9.248 -5.282) 11.501 11.556 ( 1.906 -0.336 0.145) 1.941 11.800 ( 7.482 1.388 -5.138) 9.181 12.001 ( 0.538 1.924 2.986) 3.593 12.142 ( 5.289 2.637 6.235) 8.591 16.159 ( 0.795 0.427 0.568) 1.067 17.126 ( -2.000 0.625 -2.366) 3.160 17.301 ( 6.607 2.677 0.088) 7.130 19.827 ( -5.832 -5.267 0.134) 7.860 ======================= Grid point 137 (59/226) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 16.998 24.869 9.807) 31.680 1.568 ( 10.144 13.439 21.442) 27.263 2.117 ( 7.327 -9.637 7.598) 14.293 2.281 ( 5.636 2.703 5.766) 8.504 2.655 ( 7.021 2.469 3.450) 8.203 3.379 ( 7.981 2.921 8.909) 12.312 4.161 ( -10.094 -4.699 14.677) 18.422 4.340 ( -22.097 -10.862 -2.921) 24.795 5.079 ( 3.196 -3.688 2.311) 5.400 5.684 ( -12.972 -23.733 0.720) 27.056 5.995 ( 3.602 10.096 6.468) 12.519 6.124 ( -4.132 -9.280 0.266) 10.162 6.273 ( -14.529 12.379 6.756) 20.248 6.921 ( 5.933 -1.761 -1.793) 6.443 7.096 ( 3.891 0.211 7.676) 8.608 7.241 ( 0.305 0.345 -5.844) 5.862 7.752 ( 1.248 0.165 -2.523) 2.820 8.245 ( -3.409 4.255 -15.002) 15.962 9.202 ( -6.979 -4.871 1.186) 8.593 9.899 ( 0.635 -1.351 -0.785) 1.687 10.076 ( 12.051 -2.977 -2.556) 12.674 11.448 ( -4.405 9.940 -4.797) 11.884 11.576 ( 0.250 0.090 1.814) 1.833 11.856 ( 3.867 -1.964 -1.947) 4.754 12.065 ( 1.031 2.880 2.319) 3.838 12.300 ( 4.263 5.150 6.266) 9.163 16.189 ( 1.689 0.876 0.483) 1.963 17.088 ( -1.442 1.206 -3.005) 3.544 17.403 ( 2.239 0.565 4.889) 5.407 19.687 ( -3.497 -5.554 -4.141) 7.760 ======================= Grid point 138 (60/226) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -0.619 10.525 9.595) 14.256 2.000 ( 9.990 10.880 0.746) 14.790 2.141 ( 5.328 -0.715 13.838) 14.846 2.433 ( 4.169 -0.487 5.548) 6.957 2.682 ( -2.517 -0.279 -2.506) 3.563 3.672 ( 7.293 3.022 9.277) 12.181 3.935 ( -11.510 -5.173 -1.087) 12.666 4.219 ( 9.248 -1.819 14.139) 16.993 5.111 ( 2.253 -1.623 0.705) 2.865 5.268 ( -11.395 -20.636 1.271) 23.607 5.883 ( -16.158 -1.064 0.858) 16.216 6.142 ( -0.188 0.875 0.514) 1.032 6.304 ( 0.077 10.446 6.332) 12.216 6.983 ( 6.494 -1.892 -3.098) 7.440 7.165 ( 0.549 -3.314 5.024) 6.044 7.268 ( 4.672 2.820 -2.715) 6.095 7.702 ( -3.817 2.125 -10.510) 11.382 8.100 ( -7.275 -1.361 -1.983) 7.662 9.053 ( -5.948 -4.110 -0.825) 7.276 9.896 ( 0.731 -0.560 -0.929) 1.308 10.235 ( 12.409 -1.991 -4.012) 13.192 11.441 ( -3.595 7.976 -2.966) 9.238 11.592 ( -0.057 0.486 1.782) 1.848 11.886 ( 4.131 -3.049 -1.028) 5.237 12.107 ( -1.178 1.929 3.789) 4.412 12.450 ( 2.419 6.231 5.111) 8.414 16.234 ( 2.187 1.155 0.178) 2.480 17.064 ( -0.674 1.183 -1.964) 2.390 17.456 ( -0.992 -0.681 8.321) 8.408 19.554 ( -1.567 -4.737 -8.128) 9.537 ======================= Grid point 139 (61/226) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -6.076 -4.002 -2.188) 7.597 2.146 ( -1.767 4.422 2.833) 5.541 2.213 ( -3.631 -6.707 3.460) 8.375 2.543 ( -0.691 7.677 9.422) 12.173 2.739 ( 5.804 3.366 9.899) 11.958 3.710 ( 1.467 -0.430 -0.127) 1.534 3.913 ( 1.696 2.931 1.646) 3.766 4.452 ( 4.960 -3.374 5.310) 8.011 5.003 ( 3.331 -13.669 2.304) 14.257 5.168 ( 2.941 0.885 0.377) 3.094 5.591 ( -18.487 1.235 -1.187) 18.567 6.105 ( -1.719 -2.262 -1.919) 3.428 6.452 ( 2.135 6.379 4.398) 8.037 7.042 ( 2.602 -1.700 -2.864) 4.226 7.192 ( 4.797 -2.899 5.509) 7.859 7.329 ( 3.309 -1.010 -6.451) 7.320 7.554 ( -8.659 6.503 -6.962) 12.874 7.989 ( -5.084 -2.864 4.732) 7.513 8.935 ( -3.686 -2.333 -0.480) 4.389 9.897 ( 0.394 0.191 -1.091) 1.176 10.371 ( 9.769 -1.265 -5.876) 11.470 11.439 ( -2.562 4.579 -0.547) 5.275 11.607 ( 0.005 0.619 1.151) 1.307 11.918 ( 4.235 -3.331 -0.947) 5.471 12.122 ( -2.558 1.445 5.530) 6.262 12.552 ( 0.014 4.901 2.963) 5.727 16.277 ( 1.755 1.071 -0.609) 2.144 17.066 ( 0.555 0.553 0.865) 1.167 17.473 ( -3.291 -1.180 9.589) 10.206 19.444 ( 0.519 -2.629 -10.944) 11.267 ======================= Grid point 140 (62/226) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -2.175 -7.955 -0.946) 8.301 2.044 ( -5.793 -1.613 1.864) 6.295 2.211 ( 1.392 -0.508 -1.886) 2.398 2.626 ( -5.661 5.631 13.061) 15.308 2.903 ( 1.725 -0.703 8.839) 9.033 3.787 ( 3.679 4.182 1.101) 5.678 3.927 ( -2.561 -3.513 1.518) 4.605 4.404 ( -0.054 -1.824 -6.094) 6.361 5.027 ( -1.978 -1.916 0.163) 2.758 5.235 ( 7.068 -4.502 -1.830) 8.577 5.357 ( -9.231 3.773 0.593) 9.990 6.039 ( -0.957 -1.695 -4.112) 4.550 6.511 ( 0.159 -2.831 -1.539) 3.226 6.968 ( -3.920 -1.796 -2.150) 4.819 7.282 ( 2.824 -0.830 -9.530) 9.975 7.361 ( 9.824 0.436 5.750) 11.391 7.510 ( -6.260 7.505 4.419) 10.726 7.932 ( -3.668 -1.462 4.862) 6.264 8.899 ( 0.234 0.233 1.847) 1.877 9.896 ( -0.126 0.738 -1.342) 1.536 10.439 ( 5.347 -0.929 -7.723) 9.439 11.432 ( -2.004 1.135 1.269) 2.629 11.623 ( 0.937 0.037 0.824) 1.248 11.944 ( 3.124 -2.405 -1.241) 4.133 12.131 ( -2.734 0.509 7.610) 8.103 12.577 ( -2.556 2.339 0.275) 3.475 16.296 ( 0.435 0.576 -1.577) 1.734 17.105 ( 1.936 -0.578 4.422) 4.861 17.460 ( -4.626 -1.038 8.999) 10.171 19.381 ( 2.827 0.376 -12.344) 12.670 ======================= Grid point 141 (63/226) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 6.973 -7.628 1.225) 10.407 1.985 ( -2.424 2.065 -0.895) 3.308 2.206 ( 1.724 -1.547 -1.782) 2.922 2.662 ( -5.796 4.341 13.145) 15.008 2.869 ( -7.010 -7.278 5.826) 11.664 3.800 ( -4.695 -2.249 -3.375) 6.204 3.881 ( -0.541 1.716 4.407) 4.760 4.365 ( -1.360 -3.864 -6.399) 7.597 4.873 ( -12.468 10.319 -5.393) 17.059 5.219 ( -2.705 -4.632 -2.717) 6.013 5.405 ( 10.775 -3.514 2.110) 11.528 6.002 ( 1.375 0.497 -5.355) 5.551 6.396 ( -2.436 -8.016 -4.387) 9.457 6.937 ( 1.608 1.078 -3.577) 4.067 7.279 ( 1.193 0.078 -1.024) 1.574 7.495 ( -7.431 7.062 4.660) 11.261 7.579 ( 11.630 1.333 1.411) 11.791 7.906 ( -2.453 -0.389 4.726) 5.339 8.974 ( 4.323 2.406 4.962) 7.007 9.889 ( -0.502 1.105 -1.548) 1.967 10.423 ( 0.761 -1.046 -8.502) 8.600 11.412 ( -1.940 -0.380 1.605) 2.546 11.647 ( 2.055 -1.819 0.923) 2.896 11.960 ( 1.572 -0.594 -0.974) 1.943 12.144 ( -2.514 -1.016 9.387) 9.770 12.518 ( -4.908 -0.200 -2.307) 5.427 16.282 ( -0.839 -0.079 -1.872) 2.052 17.170 ( 2.383 -1.894 6.810) 7.459 17.429 ( -4.841 -0.427 7.376) 8.833 19.379 ( 5.009 3.211 -12.410) 13.763 ======================= Grid point 142 (64/226) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -3.016 -10.506 -1.690) 11.061 1.955 ( -4.305 1.597 -2.970) 5.469 2.234 ( 3.347 -3.476 1.634) 5.095 2.602 ( -12.625 -9.359 5.320) 16.591 2.796 ( 2.234 5.280 7.462) 9.410 3.738 ( 1.462 2.265 -5.325) 5.969 3.847 ( -9.244 -3.672 6.726) 12.008 4.062 ( -19.026 -8.124 -4.932) 21.267 4.896 ( 3.509 14.067 -3.331) 14.875 5.105 ( -2.200 -3.804 -2.522) 5.067 5.579 ( 13.027 -3.394 -1.417) 13.536 6.023 ( 2.762 3.380 -4.477) 6.253 6.284 ( 0.093 -6.880 -1.740) 7.098 6.940 ( 1.405 -0.393 -5.365) 5.560 7.286 ( -2.655 -0.703 5.548) 6.191 7.468 ( -6.402 6.001 4.139) 9.702 7.767 ( 7.683 4.994 -5.927) 10.913 7.920 ( 3.393 -1.551 3.866) 5.373 9.128 ( 5.991 2.994 5.668) 8.774 9.882 ( -0.358 1.173 -1.287) 1.778 10.338 ( -2.561 -1.723 -7.741) 8.334 11.392 ( -1.392 0.159 1.770) 2.257 11.658 ( 1.477 -3.249 0.313) 3.583 11.977 ( 1.072 0.413 0.053) 1.150 12.152 ( -2.887 -2.328 10.393) 11.035 12.390 ( -6.647 -1.720 -4.116) 8.005 16.248 ( -1.473 -0.594 -1.412) 2.125 17.228 ( 1.387 -2.637 7.150) 7.746 17.399 ( -4.009 0.136 5.858) 7.100 19.432 ( 6.668 4.729 -11.658) 14.238 ======================= Grid point 143 (65/226) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -13.231 -13.439 -0.999) 18.885 1.744 ( -18.752 -5.543 -2.163) 19.674 2.258 ( 3.379 -6.485 5.610) 9.216 2.361 ( -8.122 -0.606 -4.614) 9.361 2.802 ( -16.121 -8.911 0.138) 18.421 3.462 ( -13.634 -6.583 -0.732) 15.158 3.771 ( -8.190 -2.398 8.674) 12.168 4.018 ( 15.071 7.835 4.280) 17.516 5.026 ( -1.943 2.949 -1.460) 3.821 5.150 ( 11.568 9.598 -4.344) 15.647 5.714 ( 9.158 -2.844 -5.107) 10.865 6.079 ( 2.246 3.256 -1.963) 4.415 6.254 ( 2.698 -4.262 3.444) 6.108 6.906 ( 0.349 -1.711 -5.066) 5.359 7.236 ( -7.720 -1.520 7.430) 10.822 7.463 ( -3.932 4.359 4.157) 7.193 7.801 ( -1.802 0.854 -1.395) 2.434 8.075 ( 13.742 3.614 -7.587) 16.108 9.271 ( 4.512 2.567 1.805) 5.496 9.887 ( 0.592 0.500 -0.113) 0.783 10.214 ( -3.949 -3.160 -5.743) 7.653 11.403 ( -0.310 1.965 2.821) 3.451 11.636 ( -0.531 -2.686 -0.672) 2.819 12.000 ( 1.144 0.249 -0.052) 1.172 12.142 ( -3.310 -4.116 9.558) 10.920 12.230 ( -7.489 -1.034 -3.095) 8.169 16.208 ( -1.552 -0.824 -0.735) 1.905 17.257 ( -0.682 -2.018 5.836) 6.212 17.384 ( -2.375 -0.059 4.979) 5.517 19.518 ( 7.515 4.433 -10.488) 13.643 ======================= Grid point 144 (66/226) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -19.293 -12.563 6.424) 23.902 1.252 ( -29.987 -8.939 0.399) 31.294 2.116 ( -38.268 -25.725 4.170) 46.299 2.267 ( -0.382 0.501 -1.140) 1.303 2.317 ( 3.251 -2.914 2.739) 5.154 3.373 ( 0.699 0.096 -2.395) 2.497 3.698 ( -6.921 -1.507 20.576) 21.760 4.489 ( 21.634 12.834 6.245) 25.918 5.009 ( -0.051 -0.808 0.114) 0.818 5.421 ( 14.059 7.862 -3.318) 16.446 5.745 ( -0.448 0.759 -3.917) 4.015 6.131 ( 4.915 -0.113 -2.205) 5.388 6.339 ( 3.279 0.678 9.594) 10.162 6.862 ( -0.111 -1.622 -3.155) 3.549 7.106 ( -10.352 -4.009 5.377) 12.335 7.463 ( -3.639 2.143 4.381) 6.085 7.749 ( -2.592 -2.387 0.229) 3.531 8.288 ( 14.015 8.020 -14.491) 21.696 9.332 ( 1.420 1.856 -4.377) 4.962 9.907 ( 1.523 -0.892 0.899) 1.981 10.083 ( -3.027 -5.589 -2.907) 6.989 11.457 ( 0.296 4.197 3.888) 5.729 11.588 ( -2.314 -0.616 -1.275) 2.713 12.004 ( -0.740 0.544 -2.234) 2.416 12.051 ( -3.631 -4.308 -3.801) 6.796 12.149 ( -5.425 -1.271 10.511) 11.897 16.174 ( -1.274 -0.753 -0.198) 1.493 17.249 ( -2.539 -0.813 3.820) 4.658 17.382 ( -1.298 -0.720 2.904) 3.261 19.614 ( 7.715 2.881 -7.669) 11.254 ======================= Grid point 147 (67/226) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 8.378 10.349 17.636) 22.098 1.252 ( 1.592 16.346 25.307) 30.168 1.953 ( -5.136 16.457 31.998) 36.347 2.358 ( -2.651 0.625 5.125) 5.804 2.442 ( 1.403 0.911 6.266) 6.485 3.300 ( -0.214 2.808 -2.436) 3.724 4.499 ( 1.582 -19.502 4.595) 20.098 4.854 ( 5.937 -11.522 -2.291) 13.163 5.056 ( -9.066 1.903 5.014) 10.534 5.677 ( 0.868 1.957 0.661) 2.240 6.052 ( -6.243 -20.145 3.695) 21.411 6.125 ( 5.409 -12.641 -4.751) 14.548 6.703 ( 0.502 -2.625 6.038) 6.603 6.934 ( -2.311 -7.827 6.869) 10.667 6.971 ( 2.230 11.905 4.376) 12.878 7.491 ( 2.507 4.313 1.841) 5.318 7.638 ( -7.197 10.733 -3.967) 13.518 7.943 ( 7.187 -7.005 -20.185) 22.542 9.370 ( 0.007 -12.850 5.936) 14.155 9.893 ( -1.323 0.961 -1.934) 2.532 9.957 ( -4.938 3.238 -1.752) 6.159 11.452 ( 8.862 2.609 -2.935) 9.693 11.573 ( -1.214 5.614 -1.544) 5.948 11.761 ( -2.487 7.447 -5.140) 9.384 11.995 ( 0.604 -2.888 3.774) 4.790 12.228 ( 0.551 10.662 6.718) 12.614 16.160 ( -0.025 0.466 0.602) 0.761 17.202 ( 5.021 5.893 -3.520) 8.505 17.249 ( -4.568 5.824 0.027) 7.401 19.788 ( -1.406 -14.035 0.991) 14.140 ======================= Grid point 148 (68/226) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 20.187 16.102 7.275) 26.827 1.684 ( 10.812 16.879 19.726) 28.124 2.081 ( -3.516 -4.494 9.370) 10.971 2.391 ( -3.818 8.896 13.764) 16.827 2.600 ( 6.131 1.288 7.016) 9.406 3.400 ( 3.833 9.455 11.167) 15.126 4.328 ( -7.293 -7.677 3.232) 11.071 4.582 ( -20.373 -14.755 1.343) 25.191 5.028 ( 1.209 1.055 1.757) 2.380 5.569 ( -4.415 -22.823 -1.284) 23.281 5.931 ( 5.962 -12.894 2.700) 14.460 6.110 ( 3.143 2.003 1.312) 3.951 6.679 ( -9.845 -0.846 10.504) 14.421 6.817 ( -3.889 -1.071 -1.620) 4.347 7.141 ( 1.486 6.763 4.754) 8.399 7.279 ( -9.348 0.818 -8.666) 12.773 7.730 ( 1.208 3.326 0.756) 3.619 8.050 ( 15.194 -0.994 -14.933) 21.327 9.243 ( -4.238 -11.597 3.677) 12.883 9.882 ( 0.685 0.704 -1.434) 1.738 9.916 ( 1.125 -0.177 -1.970) 2.276 11.564 ( 2.039 1.777 0.181) 2.711 11.590 ( -2.734 9.312 -4.340) 10.631 11.786 ( 1.745 2.377 -2.634) 3.954 12.035 ( 3.950 -1.056 2.078) 4.587 12.411 ( 1.113 13.622 7.164) 15.431 16.177 ( 1.001 0.545 0.444) 1.223 17.177 ( -6.102 7.381 -3.288) 10.126 17.378 ( 6.338 3.897 1.911) 7.682 19.604 ( -2.333 -16.111 -1.118) 16.317 ======================= Grid point 149 (69/226) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 14.423 9.969 -1.613) 17.607 1.983 ( -2.798 -1.842 -0.436) 3.378 2.144 ( 10.082 6.468 20.856) 24.051 2.516 ( -1.626 9.847 6.629) 11.981 2.721 ( 2.316 3.564 8.615) 9.607 3.709 ( 5.255 8.846 17.984) 20.720 4.089 ( -18.576 -11.315 -2.954) 21.951 4.222 ( -2.472 -2.885 6.067) 7.158 5.085 ( 1.753 2.632 1.024) 3.324 5.219 ( -8.874 -24.705 1.608) 26.300 5.887 ( 3.426 -12.513 -3.454) 13.426 6.234 ( -0.384 4.820 4.206) 6.409 6.504 ( -11.159 0.987 4.731) 12.160 6.810 ( 6.311 -5.540 -1.530) 8.536 7.173 ( 1.217 0.816 -7.583) 7.723 7.218 ( -0.660 2.605 2.694) 3.805 7.757 ( -3.386 6.997 -1.258) 7.875 8.105 ( 2.441 -1.707 -6.339) 7.004 9.087 ( -4.758 -8.651 1.368) 9.968 9.888 ( -0.057 1.111 -0.559) 1.246 9.981 ( 9.999 -2.713 -3.837) 11.048 11.572 ( -4.156 7.162 -1.610) 8.436 11.615 ( -0.328 4.169 -1.334) 4.390 11.808 ( 1.839 -1.216 -0.232) 2.217 12.107 ( 3.535 -0.413 1.762) 3.971 12.590 ( -1.223 13.771 6.480) 15.268 16.208 ( 1.942 0.567 0.097) 2.025 17.135 ( -4.694 6.766 -2.242) 8.534 17.509 ( 2.559 2.078 6.783) 7.541 19.413 ( 0.123 -14.728 -6.532) 16.112 ======================= Grid point 150 (70/226) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -4.034 -5.625 -5.078) 8.585 2.121 ( 5.652 3.528 -2.753) 7.209 2.294 ( -5.790 -5.869 9.258) 12.397 2.721 ( 6.661 16.210 6.742) 18.777 2.868 ( -5.641 7.082 20.408) 22.326 3.702 ( -3.813 -5.226 1.435) 6.626 3.955 ( -1.718 4.473 0.932) 4.882 4.334 ( 9.464 -2.762 8.126) 12.776 4.863 ( -6.102 -19.958 -0.135) 20.870 5.164 ( 1.491 4.243 1.115) 4.633 5.755 ( -4.182 -9.302 -3.154) 10.675 6.125 ( -8.188 -3.278 -2.068) 9.059 6.528 ( 0.997 5.521 1.460) 5.797 6.887 ( 9.753 -3.731 -1.184) 10.510 7.191 ( 3.124 -0.444 -9.980) 10.467 7.207 ( -1.965 -0.051 6.626) 6.911 7.736 ( -7.160 9.086 -0.860) 11.600 8.055 ( -2.665 -3.110 1.956) 4.539 8.958 ( -3.259 -5.370 0.404) 6.295 9.896 ( -0.026 1.465 -0.681) 1.616 10.105 ( 12.386 -4.298 -5.919) 14.384 11.556 ( -4.861 7.097 -1.071) 8.668 11.633 ( -0.850 2.505 0.154) 2.650 11.829 ( 2.782 -2.565 0.639) 3.837 12.160 ( 1.609 -0.178 2.539) 3.011 12.704 ( -4.364 11.488 4.780) 13.186 16.247 ( 2.196 0.396 -0.635) 2.320 17.125 ( -3.047 5.649 0.630) 6.449 17.591 ( -1.699 1.122 10.798) 10.989 19.252 ( 3.689 -11.812 -12.253) 17.415 ======================= Grid point 151 (71/226) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -5.854 -6.297 -3.456) 9.266 2.156 ( -8.470 -4.496 7.647) 12.265 2.171 ( 1.542 1.499 -4.735) 5.201 2.908 ( -6.949 -1.576 18.841) 20.143 2.975 ( -1.041 11.924 8.130) 14.469 3.757 ( 6.172 3.053 3.594) 7.767 3.948 ( -2.030 0.703 -1.224) 2.473 4.352 ( -3.142 -4.624 -7.256) 9.160 4.770 ( 13.208 -16.856 5.732) 22.168 5.208 ( -1.540 3.592 -1.567) 4.211 5.570 ( -7.618 -1.604 -3.356) 8.478 5.987 ( -2.196 -3.279 -4.017) 5.631 6.547 ( -3.787 4.137 -4.093) 6.943 6.978 ( 0.298 -2.122 -1.639) 2.698 7.100 ( 5.295 -2.060 -11.451) 12.783 7.317 ( 4.270 1.075 11.162) 11.999 7.705 ( -6.230 6.172 3.349) 9.388 8.006 ( -3.148 -2.134 4.660) 6.015 8.901 ( 0.122 -1.860 1.281) 2.262 9.903 ( -0.305 1.802 -0.996) 2.082 10.205 ( 10.906 -5.225 -8.456) 14.757 11.533 ( -4.913 4.982 0.996) 7.068 11.637 ( -1.260 1.611 0.267) 2.062 11.861 ( 3.560 -2.978 1.172) 4.787 12.194 ( 0.200 -0.214 4.089) 4.099 12.726 ( -7.214 8.053 2.615) 11.124 16.272 ( 1.461 0.033 -1.586) 2.157 17.150 ( -1.506 3.808 4.538) 6.113 17.621 ( -5.489 1.396 12.119) 13.377 19.155 ( 7.750 -7.984 -16.230) 19.678 ======================= Grid point 152 (72/226) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 1.009 -2.523 4.642) 5.378 2.069 ( -5.259 0.844 4.284) 6.835 2.156 ( 0.302 -0.315 -4.256) 4.278 2.887 ( -6.660 -4.368 16.158) 18.015 3.004 ( -8.886 2.009 5.858) 10.830 3.824 ( -4.214 -2.534 -4.324) 6.548 3.936 ( 1.394 2.679 6.682) 7.333 4.243 ( 2.530 -2.868 -10.216) 10.908 4.874 ( 11.598 -15.038 0.920) 19.013 5.158 ( -4.865 3.604 -2.856) 6.695 5.470 ( -4.388 5.502 -3.053) 7.671 5.923 ( 0.005 -1.223 -4.464) 4.629 6.420 ( -8.938 0.091 -4.856) 10.172 6.902 ( -0.215 -0.106 -5.561) 5.566 7.182 ( 8.453 0.907 -5.679) 10.224 7.475 ( 5.239 -0.943 9.167) 10.600 7.694 ( -5.021 4.570 5.946) 9.025 7.968 ( -2.990 -1.899 3.827) 5.214 8.950 ( 4.286 1.005 3.392) 5.558 9.906 ( -0.755 2.455 -1.532) 2.990 10.241 ( 7.649 -5.794 -10.501) 14.225 11.505 ( -4.739 2.884 3.353) 6.482 11.629 ( -0.762 0.216 0.090) 0.797 11.902 ( 3.471 -2.407 1.339) 4.431 12.220 ( -0.767 -0.911 6.288) 6.400 12.660 ( -9.365 4.724 0.854) 10.523 16.272 ( 0.247 -0.287 -2.010) 2.045 17.200 ( -0.490 1.035 7.542) 7.629 17.607 ( -7.736 2.739 10.431) 13.273 19.138 ( 10.990 -4.061 -17.359) 20.943 ======================= Grid point 153 (73/226) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -1.150 -0.146 6.190) 6.297 2.043 ( -3.778 2.940 2.433) 5.370 2.157 ( 2.770 0.430 -0.325) 2.822 2.766 ( -12.407 -11.461 9.848) 19.551 2.903 ( -5.612 1.545 5.479) 7.994 3.698 ( -1.318 -0.818 -7.607) 7.763 3.996 ( -3.212 -0.285 8.977) 9.538 4.151 ( -4.812 -7.138 -7.048) 11.125 4.842 ( 3.804 -8.620 -5.615) 10.968 5.135 ( -2.802 4.903 -1.024) 5.739 5.481 ( 0.487 7.183 -0.579) 7.222 5.927 ( 5.646 0.742 -4.435) 7.218 6.268 ( -5.641 -1.377 -1.102) 5.910 6.889 ( 1.517 1.753 -6.487) 6.889 7.284 ( 5.210 0.726 -0.614) 5.296 7.558 ( 1.994 -3.281 2.458) 4.559 7.736 ( -0.382 7.368 5.421) 9.155 7.917 ( -2.543 -3.833 2.158) 5.082 9.083 ( 6.455 2.025 3.632) 7.678 9.906 ( -1.142 3.526 -2.102) 4.261 10.206 ( 4.162 -6.319 -11.002) 13.353 11.485 ( -3.967 2.329 5.017) 6.806 11.619 ( 0.043 -1.702 0.727) 1.851 11.944 ( 2.797 -1.364 0.954) 3.255 12.233 ( -1.871 -2.172 7.527) 8.055 12.533 ( -10.529 2.368 0.819) 10.823 16.251 ( -0.763 -0.384 -1.653) 1.861 17.247 ( -0.093 -1.841 8.417) 8.617 17.568 ( -8.011 3.755 7.231) 11.427 19.195 ( 12.348 -0.613 -16.201) 20.379 ======================= Grid point 154 (74/226) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -12.463 -0.033 5.141) 13.482 1.980 ( -11.501 2.564 1.031) 11.828 2.201 ( 0.392 -4.115 7.772) 8.802 2.485 ( -12.858 -5.928 -0.061) 14.159 2.898 ( -1.971 -1.846 1.044) 2.896 3.618 ( -9.489 -4.561 -6.248) 12.242 3.914 ( -1.122 -4.676 -0.111) 4.810 3.972 ( -5.858 -0.475 15.162) 16.261 4.869 ( 13.240 -7.033 -6.971) 16.534 5.117 ( -3.636 5.180 -0.802) 6.379 5.615 ( 5.999 10.548 -2.391) 12.368 6.058 ( 8.213 4.332 -0.626) 9.306 6.184 ( -2.754 -3.569 2.798) 5.305 6.876 ( -0.160 1.603 -5.650) 5.876 7.339 ( -0.535 -0.752 3.583) 3.700 7.537 ( -0.398 -3.986 -0.232) 4.012 7.838 ( -3.015 -2.660 0.554) 4.059 7.890 ( 7.120 6.976 -0.458) 9.978 9.217 ( 5.617 1.606 -0.234) 5.847 9.909 ( -1.251 4.548 -2.347) 5.268 10.117 ( 1.341 -6.913 -9.301) 11.666 11.495 ( -2.180 2.737 6.072) 7.008 11.607 ( -0.024 -2.616 1.639) 3.088 11.978 ( 2.019 -0.496 -0.147) 2.084 12.200 ( -4.268 -3.106 2.924) 6.034 12.400 ( -9.540 0.737 6.620) 11.635 16.222 ( -1.346 -0.263 -0.951) 1.669 17.276 ( -0.019 -3.170 7.661) 8.291 17.513 ( -6.816 2.074 3.688) 8.023 19.302 ( 11.809 2.545 -13.613) 18.200 ======================= Grid point 155 (75/226) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -18.512 4.229 12.643) 22.813 1.681 ( -25.731 -3.658 7.068) 26.934 2.223 ( 0.661 -1.876 0.743) 2.123 2.294 ( -5.850 0.104 -3.627) 6.884 2.606 ( -28.410 -8.027 3.683) 29.751 3.375 ( -4.901 -3.377 0.811) 6.007 3.892 ( -3.545 -4.334 15.010) 16.020 4.237 ( 21.600 1.399 7.815) 23.013 4.978 ( 6.204 -1.998 -1.421) 6.671 5.157 ( 10.412 0.756 -4.167) 11.240 5.804 ( 3.844 14.779 -4.139) 15.821 6.099 ( -3.251 -2.294 3.119) 5.055 6.279 ( 9.298 0.311 7.502) 11.951 6.849 ( -0.667 1.795 -3.545) 4.028 7.268 ( -8.771 -4.261 3.723) 10.438 7.481 ( 1.234 -7.593 -2.022) 7.954 7.763 ( -2.457 -2.475 0.230) 3.495 8.114 ( 10.218 13.040 -5.024) 17.311 9.276 ( 2.966 0.670 -6.487) 7.164 9.917 ( -1.114 4.232 -2.313) 4.950 10.008 ( -0.454 -6.406 -5.037) 8.162 11.540 ( 0.130 0.956 4.894) 4.988 11.596 ( -1.198 0.034 3.127) 3.349 11.988 ( 0.635 -1.104 -3.684) 3.898 12.083 ( -5.887 -1.167 -2.027) 6.335 12.328 ( -7.863 -2.016 12.677) 15.053 16.192 ( -1.529 -0.002 -0.301) 1.558 17.290 ( -0.880 -2.902 6.191) 6.894 17.429 ( -4.464 -2.589 -0.553) 5.190 19.444 ( 10.304 5.935 -9.068) 14.954 ======================= Grid point 158 (76/226) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -14.702 7.510 12.534) 20.728 1.602 ( -6.296 11.765 22.742) 26.368 2.269 ( -3.625 -1.630 6.549) 7.661 2.395 ( 4.358 10.958 12.774) 17.385 2.605 ( -6.462 4.145 2.679) 8.131 3.423 ( -4.806 10.836 11.708) 16.662 4.303 ( 6.551 -8.364 6.917) 12.678 4.516 ( 17.734 -12.291 -2.029) 21.672 5.190 ( 0.729 3.563 5.741) 6.796 5.793 ( -14.147 -5.926 1.248) 15.389 5.827 ( 5.245 -23.214 -1.316) 23.836 6.004 ( -1.360 -5.917 -2.680) 6.637 6.548 ( 20.693 -0.318 8.035) 22.200 6.928 ( -1.345 -1.237 5.168) 5.482 7.123 ( -2.831 8.051 -0.014) 8.535 7.335 ( 10.874 5.442 -1.063) 12.206 7.707 ( -0.001 -7.007 -9.878) 12.111 7.945 ( -15.525 0.734 -7.854) 17.414 9.256 ( 3.646 -10.268 3.072) 11.321 9.907 ( -0.403 1.405 -2.060) 2.526 10.071 ( -6.189 4.580 -3.920) 8.640 11.347 ( 4.154 2.189 -2.046) 5.122 11.610 ( 0.630 2.942 1.377) 3.308 11.856 ( -3.225 5.935 -3.752) 7.726 12.015 ( -2.896 -2.408 3.877) 5.405 12.355 ( 1.043 9.525 6.191) 11.408 16.178 ( -1.044 0.610 0.381) 1.268 17.131 ( 5.382 4.969 -2.690) 7.803 17.404 ( -4.968 4.777 2.026) 7.184 19.660 ( 0.618 -12.733 -2.267) 12.948 ======================= Grid point 159 (77/226) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 9.230 14.817 7.967) 19.189 1.861 ( 3.598 14.422 20.525) 25.342 2.178 ( -7.543 -5.898 5.797) 11.193 2.582 ( 3.246 1.011 11.516) 12.007 2.617 ( -2.695 8.053 1.963) 8.716 3.618 ( -0.919 17.662 19.333) 26.202 4.317 ( 0.372 -4.463 0.377) 4.494 4.601 ( 3.506 -12.176 -0.237) 12.673 5.148 ( -10.751 -1.394 6.404) 12.591 5.448 ( -6.856 -20.428 -1.342) 21.589 5.700 ( 3.671 -17.083 -0.679) 17.486 6.036 ( 6.701 2.850 -0.855) 7.332 6.701 ( 1.703 -7.616 1.743) 7.997 6.917 ( -3.399 -7.291 6.774) 10.517 7.152 ( 0.124 0.192 -9.927) 9.930 7.429 ( -11.371 3.359 -7.373) 13.963 7.632 ( 19.675 2.786 -2.690) 20.052 7.864 ( -3.509 7.741 3.994) 9.391 9.182 ( -0.679 -12.302 1.785) 12.449 9.891 ( -1.492 1.850 -3.029) 3.850 9.949 ( -5.479 -0.278 -2.324) 5.958 11.505 ( 7.465 4.947 -0.792) 8.991 11.663 ( 0.237 5.500 -0.408) 5.520 11.834 ( -3.379 6.536 -2.901) 7.909 11.996 ( 0.571 -1.748 2.872) 3.410 12.554 ( 3.392 13.632 6.721) 15.572 16.174 ( -0.029 0.288 0.188) 0.345 17.273 ( 5.307 6.588 -3.567) 9.182 17.375 ( -4.283 6.845 0.451) 8.087 19.473 ( -2.755 -19.400 -0.191) 19.595 ======================= Grid point 160 (78/226) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 13.128 11.281 -0.094) 17.309 2.022 ( -5.282 -1.557 -0.845) 5.572 2.233 ( 6.354 7.342 23.685) 25.598 2.639 ( -1.741 7.962 -2.842) 8.631 2.772 ( 6.993 3.438 16.079) 17.868 3.924 ( 0.341 14.937 20.346) 25.242 4.259 ( -5.324 3.012 -6.828) 9.168 4.291 ( -18.955 -18.631 3.915) 26.865 5.091 ( 0.875 -6.606 3.533) 7.542 5.160 ( -7.311 -12.706 2.377) 14.851 5.634 ( 7.175 -12.840 -4.528) 15.390 6.209 ( 8.942 2.553 2.008) 9.513 6.558 ( -3.492 -22.383 -2.120) 22.753 6.737 ( -4.818 -3.880 -2.208) 6.568 7.109 ( 1.127 4.288 -4.782) 6.521 7.362 ( -6.676 8.720 -0.049) 10.983 7.899 ( 2.854 6.414 4.944) 8.586 7.923 ( 6.915 1.262 -4.510) 8.351 9.055 ( -1.909 -11.173 1.053) 11.384 9.850 ( 0.879 -0.825 -4.275) 4.442 9.908 ( -0.905 1.628 -0.194) 1.873 11.614 ( 2.279 2.488 0.831) 3.475 11.699 ( -2.185 7.559 -3.269) 8.520 11.826 ( -2.798 3.701 0.358) 4.653 12.045 ( 4.191 -0.106 1.465) 4.441 12.775 ( 1.104 14.720 5.689) 15.820 16.186 ( 1.137 0.074 -0.085) 1.143 17.283 ( -5.745 7.677 -2.422) 9.889 17.491 ( 6.709 5.121 1.799) 8.630 19.231 ( -2.447 -20.332 -2.069) 20.583 ======================= Grid point 161 (79/226) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -2.745 -3.343 -5.490) 6.989 2.057 ( 4.338 6.420 -0.945) 7.806 2.421 ( -3.876 -2.444 14.960) 15.646 2.792 ( 6.258 14.970 5.014) 16.982 3.078 ( 8.280 7.806 16.380) 19.945 3.789 ( -17.065 -13.230 -0.802) 21.608 4.074 ( -5.345 5.026 3.559) 8.155 4.265 ( 2.345 0.551 6.693) 7.113 4.812 ( -9.626 -19.240 0.864) 21.531 5.206 ( 1.239 6.902 1.653) 7.205 5.595 ( 5.279 -11.963 -4.648) 13.877 6.177 ( -6.688 -12.806 -4.001) 14.991 6.452 ( 9.871 -2.270 -1.692) 10.269 6.709 ( 5.118 -3.097 -0.397) 5.995 7.160 ( 0.086 5.889 -0.847) 5.950 7.323 ( -5.949 4.567 2.255) 7.832 7.907 ( -4.506 4.438 -2.228) 6.706 8.034 ( 3.076 -0.280 2.386) 3.903 8.939 ( -1.569 -8.128 0.788) 8.315 9.867 ( 6.372 -2.890 -4.383) 8.257 9.917 ( -0.074 2.267 -0.487) 2.320 11.663 ( 0.489 1.241 2.732) 3.040 11.693 ( -3.854 7.693 -4.593) 9.754 11.817 ( -2.187 1.644 1.892) 3.327 12.125 ( 3.853 0.280 1.292) 4.074 12.920 ( -3.449 12.695 3.774) 13.686 16.209 ( 1.911 -0.132 -0.608) 2.010 17.259 ( -4.777 7.102 0.770) 8.594 17.656 ( 4.653 4.312 5.779) 8.581 18.995 ( 0.342 -18.315 -7.842) 19.927 ======================= Grid point 162 (80/226) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -4.881 -2.431 -5.174) 7.517 2.131 ( 1.309 2.164 -1.994) 3.221 2.362 ( -10.704 -0.897 12.104) 16.183 3.003 ( 0.023 -0.869 11.386) 11.419 3.253 ( -5.969 7.975 7.510) 12.475 3.687 ( 10.075 1.719 5.173) 11.455 4.002 ( -5.323 2.319 -4.110) 7.114 4.314 ( -0.908 -5.869 1.120) 6.044 4.521 ( -2.090 -16.358 0.797) 16.510 5.271 ( -1.208 5.340 -0.433) 5.492 5.510 ( 1.247 -10.477 -4.408) 11.435 5.992 ( -2.304 -3.331 -3.554) 5.388 6.550 ( 4.501 1.143 -4.193) 6.257 6.822 ( 10.808 -1.480 -1.251) 10.980 7.112 ( -10.030 4.999 -6.469) 12.940 7.361 ( 1.658 1.118 11.303) 11.479 7.844 ( -3.995 0.719 -0.583) 4.101 8.058 ( -1.866 -0.642 4.058) 4.513 8.873 ( 0.502 -4.114 0.569) 4.183 9.913 ( 3.306 -1.098 -1.977) 4.006 9.949 ( 5.234 -0.731 -4.363) 6.853 11.661 ( -4.371 5.886 -3.695) 8.210 11.695 ( -0.992 1.592 3.598) 4.058 11.812 ( -0.546 -0.333 1.773) 1.885 12.191 ( 2.573 0.082 2.444) 3.550 12.950 ( -7.474 8.842 1.794) 11.715 16.232 ( 1.881 -0.334 -1.302) 2.311 17.271 ( -3.539 5.031 5.178) 8.040 17.792 ( -0.680 5.414 10.142) 11.516 18.809 ( 6.241 -14.818 -15.253) 22.163 ======================= Grid point 163 (81/226) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -1.128 1.112 1.253) 2.020 2.128 ( -0.914 -1.931 0.593) 2.217 2.263 ( -9.906 4.217 6.651) 12.654 2.982 ( -2.671 -10.542 13.537) 17.364 3.236 ( -9.335 3.816 2.763) 10.456 3.849 ( -4.336 -0.352 -3.902) 5.844 3.982 ( 3.189 5.382 5.751) 8.497 4.136 ( -2.656 -4.135 -10.446) 11.544 4.514 ( 12.982 -16.124 3.902) 21.065 5.276 ( -3.923 5.490 -0.569) 6.772 5.414 ( 2.928 -6.116 -5.999) 9.053 5.960 ( -1.571 4.164 -2.233) 4.979 6.558 ( -4.486 4.655 -4.551) 7.906 6.917 ( -9.185 1.469 -5.477) 10.795 6.984 ( 11.293 0.081 -3.666) 11.874 7.476 ( 2.319 -1.754 10.395) 10.794 7.806 ( -1.740 -0.689 3.706) 4.152 8.025 ( -3.519 -1.953 3.075) 5.065 8.895 ( 4.328 -0.806 1.018) 4.519 9.934 ( 0.127 2.350 -0.905) 2.522 9.993 ( 7.122 -4.057 -7.062) 10.819 11.616 ( -3.922 2.921 -1.492) 5.113 11.698 ( -4.100 3.311 2.630) 5.890 11.828 ( 3.017 -2.720 1.619) 4.373 12.245 ( 1.303 -0.595 4.818) 5.026 12.877 ( -9.921 4.763 0.686) 11.027 16.244 ( 1.178 -0.339 -1.618) 2.030 17.298 ( -2.935 1.538 8.456) 9.082 17.853 ( -7.743 6.228 10.606) 14.533 18.740 ( 13.967 -9.161 -18.955) 25.264 ======================= Grid point 164 (82/226) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 3.152 4.210 5.228) 7.416 2.094 ( -1.163 -3.349 3.986) 5.334 2.236 ( -3.643 8.311 2.904) 9.527 2.899 ( -7.649 -13.068 13.647) 20.384 3.070 ( -11.754 -0.523 1.334) 11.841 3.668 ( -4.780 -3.221 -10.763) 12.209 3.979 ( 0.294 -3.379 -5.306) 6.298 4.160 ( -0.200 1.179 5.736) 5.859 4.596 ( 10.276 -11.806 -0.865) 15.675 5.250 ( -4.398 6.991 -0.555) 8.278 5.448 ( 7.864 -0.225 -4.254) 8.944 5.948 ( -4.488 7.072 -1.882) 8.585 6.424 ( -12.227 4.341 -0.284) 12.977 6.836 ( 0.965 2.639 -6.656) 7.225 7.141 ( 10.027 0.396 -2.930) 10.454 7.523 ( 0.621 -4.964 5.545) 7.468 7.822 ( 0.282 -0.462 5.801) 5.827 7.955 ( -3.959 -2.872 1.714) 5.183 8.997 ( 7.088 0.211 0.236) 7.095 9.953 ( -1.000 5.267 -1.912) 5.692 10.003 ( 5.125 -5.185 -6.702) 9.903 11.572 ( -2.739 -0.146 0.997) 2.918 11.672 ( -4.255 3.492 1.770) 5.782 11.873 ( 4.143 -2.764 1.031) 5.086 12.281 ( -0.486 -1.797 6.494) 6.755 12.741 ( -10.695 1.508 1.595) 10.918 16.243 ( 0.204 -0.054 -1.319) 1.335 17.312 ( -2.496 -1.678 9.272) 9.747 17.797 ( -10.277 3.135 4.346) 11.590 18.834 ( 16.756 -0.869 -15.064) 22.549 ======================= Grid point 165 (83/226) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -4.619 3.024 1.890) 5.835 2.097 ( -0.782 0.336 3.706) 3.802 2.343 ( -1.079 7.244 9.909) 12.322 2.644 ( -13.905 -10.773 3.390) 17.914 2.911 ( -6.812 -4.169 2.149) 8.271 3.583 ( 3.101 -0.445 -4.230) 5.264 3.884 ( -2.820 -5.113 -7.269) 9.324 4.140 ( -5.444 -4.569 9.911) 12.196 4.617 ( 5.769 -4.594 -3.009) 7.965 5.240 ( -5.190 3.481 0.906) 6.315 5.572 ( 8.094 4.673 -2.814) 9.760 5.989 ( 3.309 8.604 -0.578) 9.236 6.306 ( -8.251 3.127 3.902) 9.648 6.850 ( 1.250 4.263 -6.590) 7.947 7.268 ( 7.615 -0.149 -3.114) 8.229 7.479 ( -1.458 -8.516 2.079) 8.887 7.844 ( -1.957 -3.600 3.127) 5.154 7.920 ( 1.669 2.582 3.085) 4.356 9.104 ( 7.080 -0.704 -3.756) 8.046 9.961 ( 0.040 1.772 -6.132) 6.383 9.991 ( 0.470 1.215 -1.305) 1.844 11.541 ( -0.991 -2.496 2.675) 3.790 11.660 ( -2.868 3.461 2.478) 5.132 11.916 ( 3.569 -2.130 -0.693) 4.213 12.264 ( -3.774 -2.810 3.526) 5.879 12.603 ( -9.211 -1.002 6.883) 11.542 16.234 ( -0.724 0.394 -0.705) 1.085 17.315 ( -1.642 -3.003 8.496) 9.160 17.650 ( -8.627 -2.540 -2.368) 9.299 19.039 ( 14.654 6.549 -9.655) 18.731 ======================= Grid point 166 (84/226) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -7.096 4.053 7.079) 10.812 2.058 ( -12.170 2.154 3.390) 12.816 2.286 ( -10.700 -5.719 9.314) 15.296 2.429 ( -9.712 3.205 -0.335) 10.233 2.809 ( -2.325 -4.428 -3.036) 5.850 3.541 ( -13.586 0.298 5.178) 14.542 3.832 ( 10.355 -3.417 -0.233) 10.907 4.087 ( -0.911 -7.405 10.493) 12.875 4.746 ( 14.273 2.053 -0.380) 14.425 5.158 ( -5.674 -0.060 -0.012) 5.674 5.763 ( 9.920 7.197 -3.317) 12.697 6.168 ( 6.521 2.276 2.146) 7.233 6.250 ( -5.284 4.246 7.278) 9.945 6.861 ( -0.375 5.672 -5.276) 7.755 7.321 ( 2.756 -9.682 -4.902) 11.197 7.350 ( -3.793 -3.348 1.210) 5.202 7.796 ( -2.337 -0.909 1.768) 3.068 8.056 ( 7.938 4.216 1.646) 9.138 9.151 ( 5.223 -1.910 -8.550) 10.200 9.921 ( -0.170 -2.136 -2.762) 3.495 10.015 ( -2.286 8.385 -1.914) 8.899 11.529 ( 0.493 -3.684 3.528) 5.125 11.676 ( -1.700 3.310 3.132) 4.864 11.925 ( 1.457 -2.533 -4.229) 5.140 12.161 ( -5.805 -1.818 -0.604) 6.113 12.516 ( -7.650 -3.685 12.222) 14.882 16.219 ( -1.406 0.841 -0.111) 1.642 17.321 ( -1.023 -3.319 7.557) 8.316 17.449 ( -6.031 -7.046 -6.014) 11.054 19.287 ( 11.839 10.740 -6.046) 17.090 ======================= Grid point 169 (85/226) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -18.889 1.946 6.857) 20.189 1.936 ( -7.018 7.790 13.301) 16.936 2.270 ( 2.482 -2.768 9.748) 10.433 2.565 ( 0.909 8.986 11.332) 14.491 2.652 ( -0.432 0.533 -4.409) 4.462 3.696 ( -3.822 5.873 10.615) 12.720 4.084 ( 17.976 -10.694 0.593) 20.926 4.344 ( -3.783 10.620 10.038) 15.096 5.201 ( 4.674 2.994 2.383) 6.041 5.484 ( 10.553 -18.506 -0.524) 21.310 5.858 ( 0.332 -12.419 -6.186) 13.878 6.043 ( -8.271 -1.523 3.739) 9.204 6.296 ( 9.284 -1.758 6.427) 11.428 6.984 ( -2.244 0.738 2.929) 3.763 7.187 ( -2.235 2.755 -7.869) 8.631 7.289 ( 1.905 3.336 5.172) 6.443 7.581 ( 1.028 -3.849 -11.922) 12.571 8.066 ( -3.127 -0.700 -0.105) 3.206 9.109 ( 5.213 -7.918 1.181) 9.554 9.904 ( 0.555 1.631 -2.545) 3.074 10.189 ( -7.058 4.017 -5.496) 9.806 11.329 ( -0.544 1.802 -0.900) 2.087 11.633 ( 1.290 2.624 1.925) 3.500 11.919 ( -1.073 4.677 -1.975) 5.189 12.078 ( -3.452 -2.899 5.362) 7.005 12.461 ( 0.487 7.760 4.970) 9.228 16.209 ( -1.917 0.598 -0.122) 2.012 17.094 ( 3.031 4.961 -1.547) 6.015 17.516 ( -1.349 1.624 6.835) 7.154 19.504 ( 1.042 -9.922 -7.689) 12.595 ======================= Grid point 170 (86/226) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -5.529 12.847 7.416) 15.830 2.056 ( 0.621 8.993 10.163) 13.585 2.273 ( -3.913 -7.565 12.973) 15.518 2.660 ( 0.346 4.335 3.308) 5.464 2.698 ( -1.769 6.219 4.740) 8.017 3.846 ( 5.156 7.474 11.416) 14.586 4.266 ( 11.234 -11.405 6.165) 17.154 4.444 ( -0.996 13.630 1.153) 13.715 5.270 ( 2.368 -13.780 4.973) 14.840 5.330 ( -6.131 -17.211 1.415) 18.325 5.590 ( -8.172 -7.473 -7.423) 13.332 6.001 ( -0.226 2.627 1.123) 2.866 6.446 ( 11.063 -16.295 -3.599) 20.022 6.951 ( -4.901 -3.959 2.901) 6.936 7.101 ( -1.021 1.641 -7.811) 8.046 7.402 ( 8.517 1.954 -0.598) 8.759 7.562 ( -0.096 6.077 -0.221) 6.081 8.030 ( -4.032 4.344 3.369) 6.817 9.073 ( 1.093 -10.907 0.199) 10.964 9.903 ( -0.411 1.569 -3.413) 3.779 10.033 ( -7.703 -0.886 -4.002) 8.725 11.439 ( 6.475 6.993 0.130) 9.531 11.698 ( 1.383 5.006 0.071) 5.194 11.925 ( -1.909 5.610 -1.969) 6.244 12.029 ( -3.495 -1.998 4.834) 6.291 12.650 ( 4.982 12.404 6.181) 14.727 16.185 ( -1.108 0.058 -0.268) 1.142 17.212 ( 5.594 6.882 -2.307) 9.164 17.525 ( -4.792 4.217 3.000) 7.053 19.321 ( -1.746 -17.835 -4.081) 18.379 ======================= Grid point 171 (87/226) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 4.396 14.276 2.884) 15.213 2.095 ( -3.850 -0.175 -0.369) 3.872 2.369 ( 3.043 3.453 22.283) 22.754 2.727 ( -1.884 7.839 -0.285) 8.067 2.779 ( 4.772 1.896 10.299) 11.508 4.081 ( 5.555 5.029 5.752) 9.447 4.281 ( -1.554 -10.033 5.854) 11.719 4.505 ( -10.919 7.674 -1.200) 13.400 4.998 ( -2.666 -17.492 1.634) 17.770 5.188 ( -3.107 -10.610 6.010) 12.583 5.450 ( -0.400 -3.991 -4.225) 5.826 6.094 ( 6.918 3.412 -0.389) 7.723 6.279 ( 1.751 -25.635 -8.869) 27.182 6.797 ( -7.279 -3.014 -1.343) 7.993 7.131 ( 1.104 4.399 2.057) 4.980 7.489 ( 0.647 2.292 -4.479) 5.073 7.714 ( 8.868 5.120 2.777) 10.610 8.054 ( -2.540 5.251 4.291) 7.241 8.968 ( -0.454 -10.865 -0.491) 10.886 9.844 ( -3.399 -0.507 -4.730) 5.847 9.943 ( -1.796 1.350 -0.314) 2.268 11.590 ( 4.398 4.556 -0.618) 6.363 11.763 ( 0.227 6.513 -2.290) 6.908 11.937 ( -3.484 5.379 1.490) 6.580 12.012 ( 0.643 -0.484 2.852) 2.964 12.898 ( 4.487 13.904 4.778) 15.372 16.173 ( 0.050 -0.264 -0.321) 0.419 17.349 ( 4.464 5.427 -1.892) 7.278 17.506 ( -3.077 6.215 0.378) 6.945 19.079 ( -3.204 -20.380 -1.457) 20.681 ======================= Grid point 172 (88/226) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -2.627 1.375 -4.833) 5.670 2.114 ( -0.733 9.813 1.932) 10.028 2.548 ( -0.067 -2.463 18.247) 18.413 2.875 ( 5.076 15.981 3.468) 17.123 3.006 ( 13.153 0.351 11.205) 17.283 3.934 ( -18.476 -16.607 -4.059) 25.172 4.169 ( -2.607 2.550 -6.255) 7.241 4.396 ( -6.580 -1.155 11.404) 13.217 4.829 ( -8.513 -11.461 3.102) 14.610 5.227 ( 7.684 1.117 2.897) 8.288 5.385 ( 0.490 -4.877 -4.735) 6.815 6.012 ( 1.671 -19.987 -6.678) 21.139 6.261 ( 9.477 1.489 -0.019) 9.593 6.684 ( -3.299 -0.972 0.703) 3.511 7.217 ( 1.275 4.140 4.865) 6.514 7.463 ( -3.193 3.417 -2.887) 5.496 7.851 ( 4.186 -0.809 -3.624) 5.595 8.094 ( -1.470 3.983 4.422) 6.130 8.870 ( 0.291 -8.924 0.405) 8.938 9.778 ( -0.224 -0.506 -3.350) 3.396 9.944 ( -0.486 1.997 -0.059) 2.056 11.661 ( 1.592 1.814 -0.370) 2.442 11.784 ( -2.626 6.405 -3.834) 7.913 11.933 ( -4.256 4.102 4.118) 7.204 12.072 ( 3.682 0.776 1.385) 4.010 13.085 ( -0.034 12.026 1.707) 12.146 16.177 ( 1.100 -0.418 -0.483) 1.272 17.396 ( -2.899 4.717 1.892) 5.851 17.607 ( 7.407 5.949 -0.388) 9.508 18.819 ( -4.174 -18.890 -2.696) 19.533 ======================= Grid point 173 (89/226) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -4.544 0.910 -5.808) 7.430 2.171 ( -2.623 5.648 0.675) 6.264 2.606 ( -5.870 -0.097 16.487) 17.501 3.088 ( -1.850 4.924 5.445) 7.570 3.321 ( 11.092 0.781 5.947) 12.610 3.537 ( 0.401 -9.801 -0.931) 9.854 4.077 ( -5.165 3.447 -9.678) 11.499 4.329 ( -4.300 -8.773 9.662) 13.741 4.558 ( -14.081 -6.545 -1.989) 15.655 5.296 ( -0.155 -6.392 -4.858) 8.030 5.371 ( 4.480 1.451 2.197) 5.196 5.908 ( 4.059 -6.111 -2.654) 7.801 6.416 ( 8.665 1.003 -1.826) 8.912 6.692 ( 3.527 0.354 1.407) 3.814 7.282 ( -3.843 4.948 1.059) 6.354 7.434 ( -2.017 1.957 3.654) 4.610 7.817 ( 0.562 -4.372 -5.116) 6.753 8.119 ( -1.972 0.324 3.503) 4.033 8.818 ( 1.160 -5.418 0.744) 5.590 9.780 ( 3.181 -0.591 -2.240) 3.935 9.957 ( -0.262 2.334 -0.287) 2.366 11.689 ( 1.486 -0.406 0.340) 1.578 11.754 ( -4.028 5.178 -4.277) 7.831 11.924 ( -5.467 4.404 3.589) 7.884 12.151 ( 4.059 -0.295 2.473) 4.762 13.136 ( -5.175 7.616 -1.171) 9.282 16.192 ( 1.621 -0.415 -0.775) 1.844 17.411 ( -3.397 3.112 6.804) 8.217 17.821 ( 10.311 7.669 1.344) 12.921 18.552 ( -3.950 -16.148 -7.470) 18.225 ======================= Grid point 174 (90/226) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -2.146 3.377 -2.709) 4.832 2.161 ( -3.093 1.027 1.910) 3.777 2.532 ( -13.221 -0.847 7.858) 15.403 2.993 ( -2.355 -10.037 8.451) 13.331 3.383 ( -3.863 2.833 1.414) 4.995 3.772 ( 16.279 -4.163 -0.677) 16.816 3.955 ( -2.865 3.504 -7.842) 9.055 4.237 ( -13.837 -0.724 1.852) 13.979 4.289 ( 1.169 -9.552 1.608) 9.757 5.228 ( 3.601 -5.831 -3.790) 7.832 5.421 ( -3.235 4.652 1.363) 5.828 5.950 ( 4.540 1.328 -1.874) 5.088 6.542 ( 5.800 3.941 -2.451) 7.428 6.803 ( 8.271 0.427 0.156) 8.283 7.157 ( -14.970 5.968 -3.319) 16.454 7.485 ( 1.733 -2.582 6.822) 7.497 7.771 ( 2.879 -6.043 -0.861) 6.749 8.080 ( -3.455 -2.669 2.125) 4.856 8.820 ( 3.140 -2.047 -0.000) 3.748 9.828 ( 4.343 -0.696 -0.994) 4.509 9.975 ( -0.221 3.304 -1.023) 3.466 11.689 ( -3.447 2.661 -3.534) 5.608 11.726 ( 1.953 -0.893 0.529) 2.212 11.879 ( -6.426 3.228 1.402) 7.326 12.232 ( 3.386 -1.270 5.242) 6.368 13.058 ( -8.225 2.727 -2.409) 8.994 16.210 ( 1.564 -0.136 -0.840) 1.780 17.425 ( -3.823 -0.302 10.048) 10.755 18.082 ( 1.876 12.812 7.770) 15.101 18.310 ( 5.980 -14.381 -16.854) 22.948 ======================= Grid point 175 (91/226) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 3.602 5.119 1.754) 6.500 2.130 ( -2.601 -1.022 4.304) 5.132 2.343 ( -6.365 -4.943 -2.267) 8.372 2.958 ( -3.044 -11.719 13.411) 18.068 3.303 ( -10.090 7.475 3.148) 12.946 3.638 ( -7.796 -7.531 -12.963) 16.898 3.973 ( -3.856 0.040 -6.534) 7.587 4.195 ( 2.863 4.355 5.891) 7.866 4.314 ( 10.469 -9.294 2.665) 14.250 5.274 ( 8.131 0.182 -2.888) 8.631 5.390 ( -5.753 5.120 -0.337) 7.709 6.024 ( 1.649 4.317 -1.088) 4.747 6.634 ( -1.237 7.736 -0.895) 7.885 6.907 ( -8.480 5.273 -6.025) 11.662 6.972 ( 4.006 -0.741 2.785) 4.934 7.497 ( 0.476 -6.035 3.360) 6.924 7.782 ( 4.550 -5.872 2.025) 7.700 7.996 ( -3.929 -4.046 1.210) 5.768 8.876 ( 5.675 -0.916 -1.654) 5.982 9.881 ( 3.086 -0.940 -0.010) 3.226 10.005 ( -0.027 5.950 -1.597) 6.161 11.624 ( -3.812 0.675 -1.668) 4.215 11.766 ( 2.684 -0.286 0.006) 2.700 11.809 ( -4.161 0.740 -0.114) 4.228 12.298 ( 1.527 -2.700 6.953) 7.613 12.908 ( -8.915 -1.053 -1.170) 9.053 16.228 ( 1.019 0.408 -0.547) 1.226 17.413 ( -4.065 -3.075 10.513) 11.684 17.962 ( -9.615 -6.224 -7.356) 13.612 18.502 ( 17.347 9.805 -3.819) 20.289 ======================= Grid point 176 (92/226) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.841 3.897 1.116) 4.140 2.139 ( -0.587 0.295 5.108) 5.150 2.262 ( 8.530 -7.382 -3.428) 11.790 2.767 ( -11.110 -14.193 5.011) 18.708 3.197 ( -20.305 3.762 4.923) 21.230 3.495 ( 5.890 2.803 -0.406) 6.536 3.874 ( -4.230 2.514 -6.494) 8.148 4.191 ( -2.141 -6.034 4.024) 7.562 4.480 ( 9.116 -0.373 -0.167) 9.125 5.337 ( -3.410 0.422 0.621) 3.492 5.440 ( 9.096 5.600 -2.382) 10.944 6.055 ( -1.493 4.486 -1.143) 4.864 6.573 ( -14.186 7.552 4.874) 16.794 6.848 ( 0.441 8.001 -5.580) 9.764 7.103 ( 8.812 -2.387 -0.757) 9.161 7.440 ( -1.044 -7.477 0.948) 7.608 7.831 ( 5.320 -4.799 3.293) 7.886 7.906 ( -2.669 -4.101 0.566) 4.926 8.945 ( 6.338 -1.570 -4.648) 8.015 9.904 ( 1.003 -1.083 0.128) 1.482 10.066 ( -0.398 9.466 -1.645) 9.617 11.562 ( -2.663 -1.876 1.170) 3.461 11.750 ( -3.327 2.812 -0.486) 4.383 11.819 ( 4.410 -2.474 -1.259) 5.211 12.306 ( -1.899 -4.259 4.494) 6.476 12.757 ( -7.394 -3.486 3.803) 9.016 16.243 ( 0.140 1.030 -0.099) 1.044 17.385 ( -3.322 -3.944 9.341) 10.670 17.684 ( -7.489 -9.436 -10.774) 16.162 18.860 ( 13.899 14.526 -1.523) 20.162 ======================= Grid point 177 (93/226) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -2.457 2.848 1.918) 4.222 2.157 ( 1.500 -0.783 0.506) 1.766 2.389 ( 8.110 -3.190 -10.407) 13.574 2.489 ( -8.005 -12.895 14.209) 20.790 2.893 ( -17.250 -3.314 2.622) 17.760 3.696 ( 5.030 5.628 5.424) 9.295 3.792 ( -6.143 6.556 -0.842) 9.023 4.135 ( -3.332 -2.561 5.919) 7.259 4.594 ( 7.463 2.204 -1.014) 7.847 5.259 ( -6.114 -1.971 0.881) 6.484 5.629 ( 9.554 4.497 -1.497) 10.666 6.087 ( 3.806 0.180 -0.642) 3.864 6.478 ( -9.790 5.444 7.245) 13.340 6.907 ( -0.408 10.647 -5.433) 11.960 7.164 ( 4.329 -7.106 -1.894) 8.533 7.365 ( -1.402 -2.509 -0.478) 2.914 7.836 ( -2.363 -2.101 1.514) 3.506 7.922 ( 8.716 -5.519 1.590) 10.438 8.984 ( 5.378 -2.053 -6.892) 8.980 9.903 ( -0.149 -0.729 0.562) 0.933 10.137 ( -1.848 12.187 -2.429) 12.563 11.523 ( -0.909 -3.296 3.308) 4.757 11.736 ( -1.154 1.066 0.457) 1.636 11.843 ( 2.403 -1.257 -3.883) 4.736 12.219 ( -4.714 -4.153 0.233) 6.287 12.658 ( -5.733 -5.435 9.272) 12.181 16.250 ( -0.824 1.551 0.284) 1.779 17.362 ( -2.584 -5.626 7.293) 9.567 17.413 ( -5.003 -8.278 -8.683) 12.998 19.189 ( 10.947 14.562 -2.675) 18.413 ======================= Grid point 180 (94/226) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -3.779 -0.941 4.646) 6.063 2.117 ( -2.151 2.441 2.438) 4.066 2.292 ( 0.690 -7.763 10.360) 12.964 2.531 ( 4.170 3.873 -2.932) 6.402 2.809 ( -3.807 6.673 18.306) 19.853 3.779 ( 6.374 0.844 1.644) 6.637 3.844 ( -3.038 -1.018 0.247) 3.214 4.582 ( 1.633 6.936 6.420) 9.591 5.108 ( 3.250 -7.937 -0.189) 8.578 5.231 ( 5.523 -1.987 -0.234) 5.874 5.601 ( 9.618 -9.173 -3.966) 13.870 6.078 ( -0.431 -5.044 -1.008) 5.162 6.381 ( -8.663 2.513 5.765) 10.705 7.052 ( -1.064 3.517 0.566) 3.718 7.198 ( -4.700 0.950 -7.498) 8.900 7.354 ( -3.257 -2.671 7.931) 8.981 7.417 ( 7.357 -0.117 -10.135) 12.524 8.059 ( 2.934 -2.259 3.476) 5.079 8.970 ( 4.147 -5.365 0.294) 6.787 9.890 ( 0.368 1.017 -2.702) 2.910 10.292 ( -6.916 1.942 -6.982) 10.017 11.374 ( -2.177 2.708 0.428) 3.501 11.642 ( 1.721 2.214 1.670) 3.264 11.954 ( -0.111 3.226 -1.853) 3.722 12.138 ( -1.583 -2.769 8.262) 8.856 12.548 ( 0.467 6.155 2.776) 6.768 16.244 ( -2.116 0.232 -0.967) 2.338 17.108 ( 1.135 5.661 0.890) 5.842 17.573 ( 2.048 -0.726 10.790) 11.007 19.344 ( -0.462 -7.707 -12.826) 14.971 ======================= Grid point 181 (95/226) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -8.177 9.303 7.072) 14.263 2.131 ( -0.472 1.490 0.342) 1.600 2.320 ( 2.541 -8.173 15.090) 17.348 2.636 ( 5.417 5.585 -3.709) 8.619 2.925 ( -7.093 7.129 15.901) 18.814 3.830 ( 3.541 1.568 3.066) 4.940 3.978 ( 14.214 -2.975 2.652) 14.762 4.682 ( -2.526 8.739 2.856) 9.534 5.007 ( 3.808 -24.877 1.035) 25.188 5.271 ( 3.251 -3.799 -2.367) 5.532 5.574 ( -1.643 -4.143 -8.908) 9.961 6.030 ( 1.141 -4.868 0.939) 5.087 6.267 ( -8.296 -3.697 2.420) 9.399 7.014 ( -6.113 -1.705 -7.124) 9.540 7.110 ( 0.330 3.843 2.703) 4.710 7.340 ( 1.168 -0.015 2.035) 2.346 7.556 ( 6.525 4.307 0.639) 7.844 8.096 ( 0.815 -0.184 3.063) 3.175 8.955 ( 1.741 -8.399 -0.304) 8.583 9.889 ( 0.559 1.108 -3.699) 3.902 10.119 ( -7.814 -1.607 -5.246) 9.548 11.436 ( 2.574 7.039 1.046) 7.568 11.710 ( 2.175 4.062 -0.434) 4.628 11.968 ( 0.248 3.400 -1.884) 3.895 12.120 ( -4.109 -1.836 7.524) 8.767 12.715 ( 5.390 11.485 4.792) 13.561 16.205 ( -1.757 -0.207 -0.896) 1.983 17.206 ( 2.570 7.481 0.058) 7.910 17.643 ( -2.128 1.473 7.662) 8.087 19.138 ( -1.058 -15.157 -10.186) 18.293 ======================= Grid point 182 (96/226) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -3.910 14.261 3.434) 15.181 2.118 ( 0.470 -1.418 1.804) 2.343 2.455 ( 5.315 -1.304 16.461) 17.347 2.762 ( 4.765 6.967 -0.502) 8.456 2.911 ( -8.843 2.900 9.732) 13.465 3.997 ( 9.599 0.754 3.652) 10.298 4.161 ( 8.076 -5.390 1.882) 9.890 4.668 ( -5.478 -6.622 -1.994) 8.822 4.862 ( 4.031 -9.752 0.322) 10.557 5.173 ( -5.037 -9.856 -2.069) 11.260 5.439 ( -2.642 -1.600 -3.705) 4.823 6.002 ( 1.382 -15.261 -3.368) 15.690 6.116 ( -5.331 4.867 1.536) 7.381 6.870 ( -5.164 -0.993 -4.545) 6.950 7.188 ( -0.163 4.096 7.170) 8.259 7.382 ( 3.943 -2.165 -2.063) 4.949 7.709 ( 5.219 5.761 2.417) 8.141 8.131 ( 0.163 1.261 3.175) 3.421 8.873 ( -0.481 -8.955 -1.199) 9.048 9.857 ( -2.079 -0.508 -4.166) 4.684 9.988 ( -3.497 0.351 -1.620) 3.870 11.562 ( 4.102 5.759 -0.585) 7.095 11.777 ( 2.149 4.788 -2.926) 6.009 12.010 ( 1.078 4.997 -1.201) 5.251 12.082 ( -4.944 -1.093 7.785) 9.287 12.963 ( 6.304 12.816 3.552) 14.718 16.175 ( -0.922 -0.411 -0.587) 1.168 17.324 ( 3.391 6.257 0.584) 7.141 17.634 ( -5.168 3.119 2.526) 6.544 18.912 ( -0.852 -17.836 -5.394) 18.653 ======================= Grid point 183 (97/226) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -5.910 3.608 -3.688) 7.845 2.236 ( 2.241 11.310 3.793) 12.138 2.609 ( 2.581 -5.141 16.247) 17.236 2.898 ( 4.092 -2.427 6.974) 8.442 2.967 ( 5.122 15.026 3.716) 16.304 3.980 ( -9.055 -17.274 -5.435) 20.246 4.173 ( 0.057 3.665 -6.573) 7.526 4.473 ( -2.975 -11.187 7.038) 13.548 4.844 ( -1.749 -8.678 -2.762) 9.273 5.085 ( 4.693 -0.313 -0.066) 4.704 5.405 ( -0.476 -0.971 1.150) 1.579 5.802 ( -2.083 -11.156 -3.220) 11.796 6.183 ( 3.450 3.984 1.307) 5.430 6.764 ( -5.033 0.038 0.068) 5.034 7.270 ( 0.237 2.519 7.444) 7.863 7.391 ( 4.582 -3.562 -6.342) 8.597 7.832 ( 1.166 3.865 0.877) 4.131 8.159 ( -0.580 1.187 2.364) 2.708 8.783 ( 0.343 -7.475 -0.129) 7.484 9.786 ( -2.420 -0.070 -2.292) 3.333 9.967 ( -0.530 1.408 -0.396) 1.556 11.648 ( 2.012 3.431 -2.040) 4.470 11.827 ( 1.108 5.175 -4.702) 7.079 12.047 ( -1.732 -2.113 7.112) 7.619 12.072 ( -1.310 5.559 0.745) 5.760 13.170 ( 3.160 10.850 -0.631) 11.318 16.161 ( 0.088 -0.423 -0.280) 0.515 17.434 ( 2.952 3.130 2.781) 5.123 17.609 ( -1.654 4.151 0.237) 4.475 18.702 ( -2.450 -15.348 -3.137) 15.856 ======================= Grid point 184 (98/226) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -5.803 3.557 -5.217) 8.576 2.316 ( -5.498 7.015 1.783) 9.089 2.719 ( 3.071 -4.953 16.269) 17.282 3.061 ( 16.073 -5.681 4.177) 17.552 3.236 ( 0.214 15.502 2.985) 15.788 3.515 ( -13.184 -17.413 -5.921) 22.630 4.110 ( -3.512 3.399 -11.083) 12.113 4.392 ( -5.576 -7.695 8.655) 12.853 4.675 ( -6.201 -6.190 -4.542) 9.869 5.167 ( 4.044 -3.826 -1.411) 5.743 5.385 ( -0.516 0.873 3.426) 3.573 5.764 ( 5.400 -3.114 0.071) 6.234 6.298 ( 6.583 2.321 0.122) 6.981 6.723 ( -2.501 2.388 3.228) 4.730 7.334 ( 1.981 -0.733 1.940) 2.867 7.400 ( 4.217 -2.587 -2.993) 5.782 7.809 ( -5.204 0.854 -2.410) 5.798 8.162 ( -1.393 -0.684 1.499) 2.158 8.752 ( 1.807 -4.571 1.723) 5.208 9.763 ( -0.251 1.563 0.028) 1.584 9.976 ( 0.073 1.488 -0.153) 1.498 11.671 ( 0.347 0.942 -1.802) 2.063 11.829 ( -2.643 4.872 -5.344) 7.699 12.066 ( -3.152 2.142 5.655) 6.819 12.101 ( 2.305 -0.302 1.711) 2.886 13.239 ( -2.177 5.899 -5.021) 8.046 16.165 ( 0.903 -0.257 -0.123) 0.946 17.507 ( 0.100 -0.255 7.376) 7.381 17.697 ( 7.831 4.589 -1.312) 9.171 18.496 ( -5.656 -9.309 -3.566) 11.462 ======================= Grid point 185 (99/226) ======================= q-point: (-0.36 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -3.935 5.437 -4.282) 7.962 2.269 ( -5.824 1.833 2.188) 6.487 2.722 ( -9.885 -12.131 6.916) 17.109 3.005 ( -6.837 -8.250 0.171) 10.716 3.321 ( 18.002 -5.597 -3.066) 19.100 3.546 ( 3.357 7.655 7.268) 11.077 4.001 ( -4.749 4.175 -9.997) 11.829 4.263 ( -5.453 -6.904 2.445) 9.131 4.475 ( -11.871 1.927 -2.247) 12.235 5.128 ( 0.691 -3.334 -1.173) 3.601 5.493 ( 3.028 3.553 5.117) 6.927 5.838 ( 6.317 -0.713 -1.176) 6.465 6.446 ( 8.572 2.167 0.379) 8.850 6.765 ( 0.637 4.076 3.798) 5.607 7.338 ( -0.776 -0.067 -3.351) 3.440 7.419 ( 2.987 -3.900 -2.200) 5.383 7.698 ( -4.434 -3.347 0.511) 5.579 8.115 ( -2.999 -2.783 0.445) 4.116 8.766 ( 1.842 -1.518 1.646) 2.900 9.804 ( 1.399 2.834 2.575) 4.076 9.994 ( 0.462 2.107 -0.560) 2.228 11.668 ( 0.887 -1.321 -0.835) 1.797 11.773 ( -4.218 3.603 -5.347) 7.705 12.018 ( -6.291 2.455 -0.924) 6.816 12.186 ( 4.697 -2.600 7.110) 8.909 13.155 ( -5.824 0.187 -7.017) 9.121 16.183 ( 1.394 0.163 0.058) 1.405 17.533 ( -2.219 -3.437 10.564) 11.329 17.885 ( 13.072 -1.727 -7.278) 15.061 18.329 ( -6.758 4.082 0.008) 7.895 ======================= Grid point 186 (100/226) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 0.305 6.282 -1.323) 6.427 2.211 ( -3.853 -0.238 2.885) 4.819 2.361 ( -12.012 -14.044 -5.185) 19.194 2.957 ( -0.666 -11.004 9.573) 14.600 3.384 ( 3.860 -5.825 -11.366) 13.342 3.694 ( -2.273 5.782 6.840) 9.240 3.942 ( -0.258 5.439 -5.310) 7.606 4.160 ( 0.932 -4.599 0.614) 4.733 4.329 ( -9.351 5.019 0.396) 10.620 5.171 ( 5.289 2.711 0.177) 5.946 5.520 ( -5.253 2.748 0.477) 5.947 5.968 ( 7.956 1.876 0.667) 8.201 6.616 ( 8.843 3.062 0.912) 9.402 6.856 ( 2.610 4.047 2.365) 5.365 7.229 ( -12.983 4.123 -1.185) 13.674 7.399 ( 4.480 -7.027 -5.505) 9.988 7.639 ( 2.478 -8.277 2.625) 9.030 8.029 ( -3.850 -3.293 0.057) 5.066 8.801 ( 2.226 0.107 0.405) 2.265 9.875 ( 0.701 2.275 4.112) 4.752 10.036 ( 1.792 5.098 -1.054) 5.506 11.658 ( -0.224 -2.152 -1.501) 2.633 11.710 ( -1.184 0.864 -3.166) 3.488 11.915 ( -6.476 1.588 -2.603) 7.158 12.275 ( 3.333 -3.903 7.553) 9.132 12.987 ( -6.417 -3.980 -5.700) 9.461 16.212 ( 1.454 0.766 0.301) 1.670 17.514 ( -3.688 -5.697 11.184) 13.083 17.836 ( 0.596 -11.824 -15.504) 19.507 18.482 ( 6.366 19.007 6.082) 20.947 ======================= Grid point 187 (101/226) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 4.094 3.144 1.125) 5.283 2.057 ( -3.855 -11.288 -9.268) 15.106 2.213 ( -0.587 1.925 6.493) 6.797 2.801 ( -7.374 -14.016 0.891) 15.863 3.280 ( 0.913 -11.809 -7.412) 13.973 3.697 ( -9.245 10.714 10.907) 17.866 3.953 ( -3.288 7.792 -4.748) 9.699 4.193 ( -0.734 -0.341 0.797) 1.136 4.326 ( 7.348 3.133 0.261) 7.992 5.318 ( 5.607 3.205 0.598) 6.486 5.446 ( -3.567 3.671 -1.589) 5.359 6.070 ( 1.768 0.356 0.033) 1.803 6.811 ( 8.487 6.680 0.684) 10.822 6.910 ( -4.434 1.952 -0.702) 4.896 7.038 ( -10.219 2.645 3.102) 11.002 7.362 ( 2.724 -5.553 -4.355) 7.565 7.650 ( 7.048 -9.425 1.390) 11.851 7.939 ( -3.708 -2.622 0.632) 4.585 8.841 ( 2.678 0.211 -1.232) 2.955 9.910 ( -0.584 0.462 2.805) 2.902 10.137 ( 2.124 9.687 -0.821) 9.951 11.596 ( -2.834 -2.386 -0.471) 3.734 11.710 ( 3.124 -3.247 -1.968) 4.917 11.829 ( -3.798 3.095 -2.696) 5.593 12.305 ( 0.119 -5.673 4.875) 7.481 12.822 ( -4.686 -6.002 -0.786) 7.655 16.246 ( 1.017 1.346 0.474) 1.752 17.465 ( -3.867 -6.437 10.079) 12.569 17.587 ( -4.189 -10.939 -14.297) 18.483 18.841 ( 9.566 19.432 3.492) 21.938 ======================= Grid point 188 (102/226) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -1.357 -4.633 -6.921) 8.438 1.914 ( 8.988 -5.343 -0.296) 10.461 2.315 ( 2.079 5.968 2.419) 6.767 2.552 ( -6.319 -12.910 3.851) 14.880 3.077 ( -8.646 -10.519 0.123) 13.617 3.761 ( -1.401 4.902 4.302) 6.671 3.912 ( -3.797 1.551 0.343) 4.116 4.258 ( -1.028 15.736 4.505) 16.400 4.482 ( 7.732 2.150 -2.235) 8.331 5.303 ( -2.356 -3.389 -0.284) 4.137 5.549 ( 5.200 6.070 -0.922) 8.046 6.048 ( -0.707 -2.762 -1.463) 3.204 6.737 ( -11.512 -1.113 1.220) 11.630 6.998 ( 0.850 13.725 -1.500) 13.832 7.019 ( 3.378 -5.646 2.721) 7.120 7.342 ( 1.507 0.251 -3.683) 3.988 7.690 ( 7.586 -10.208 0.305) 12.722 7.882 ( -1.727 -1.561 2.847) 3.677 8.873 ( 2.664 -0.071 -2.298) 3.519 9.915 ( -0.710 -0.144 1.594) 1.751 10.253 ( 0.315 12.443 -2.420) 12.680 11.532 ( -1.686 -4.089 2.092) 4.893 11.703 ( 2.028 -4.186 -2.140) 5.120 11.821 ( -0.214 4.459 -2.222) 4.987 12.237 ( -3.080 -6.051 0.783) 6.835 12.718 ( -2.796 -6.909 4.937) 8.941 16.274 ( 0.199 1.749 0.472) 1.822 17.323 ( -4.579 -11.038 -8.260) 14.527 17.422 ( -2.568 -4.139 6.856) 8.410 19.170 ( 8.067 16.522 -0.814) 18.404 ======================= Grid point 191 (103/226) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 7.147 2.638 7.069) 10.393 2.080 ( 5.359 -3.892 0.193) 6.626 2.229 ( 0.877 -1.871 0.358) 2.097 2.577 ( -3.531 -3.249 6.879) 8.387 3.044 ( 0.422 7.650 17.127) 18.762 3.737 ( -0.893 0.137 0.618) 1.095 3.955 ( -4.480 3.051 -0.299) 5.429 4.436 ( 9.545 -3.460 -5.449) 11.523 4.927 ( 3.529 -23.337 -3.169) 23.814 5.229 ( -1.228 3.621 -0.951) 3.940 5.465 ( 2.969 7.153 0.435) 7.757 6.014 ( 1.111 -3.005 -3.222) 4.544 6.576 ( -3.881 8.550 1.343) 9.485 7.015 ( 6.840 -1.859 -2.677) 7.576 7.252 ( 2.430 2.017 -8.558) 9.122 7.268 ( -8.439 -4.365 -2.996) 9.962 7.466 ( -2.850 1.071 11.511) 11.907 7.998 ( 4.047 -3.133 4.422) 6.764 8.899 ( 0.199 -2.208 1.057) 2.457 9.876 ( -0.105 0.204 -2.432) 2.443 10.348 ( -5.166 -0.540 -7.885) 9.442 11.436 ( -0.647 3.003 1.136) 3.276 11.650 ( 0.922 2.442 1.386) 2.955 11.957 ( 0.176 0.379 -1.735) 1.785 12.193 ( 0.002 -1.752 10.358) 10.505 12.588 ( 2.399 4.726 0.238) 5.305 16.264 ( -1.478 -0.324 -1.761) 2.322 17.169 ( 0.088 5.877 3.188) 6.686 17.586 ( 4.977 -1.183 13.142) 14.102 19.215 ( -4.058 -6.029 -16.139) 17.700 ======================= Grid point 192 (104/226) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 0.959 6.864 10.864) 12.886 2.126 ( 0.978 0.294 -3.964) 4.093 2.213 ( 5.058 -10.733 7.381) 13.974 2.599 ( 2.771 2.917 2.528) 4.751 3.235 ( -5.231 9.491 18.555) 21.488 3.795 ( 7.396 -0.783 0.634) 7.464 3.874 ( -4.186 3.784 -1.761) 5.911 4.547 ( 13.178 -6.460 -7.032) 16.274 4.725 ( 3.472 -26.446 -1.868) 26.738 5.229 ( -2.010 1.656 -2.628) 3.700 5.523 ( 0.492 1.918 -2.169) 2.936 5.983 ( -0.858 -2.076 -2.212) 3.152 6.496 ( -13.222 4.094 2.163) 14.010 7.011 ( -3.907 -3.968 -8.913) 10.510 7.170 ( 1.615 4.865 3.328) 6.111 7.316 ( 6.687 1.095 -2.110) 7.097 7.527 ( 0.020 1.356 9.416) 9.513 8.060 ( 3.783 -2.765 3.213) 5.682 8.873 ( 0.027 -4.645 -0.032) 4.645 9.863 ( 0.350 0.427 -3.033) 3.083 10.180 ( -6.665 -2.617 -6.037) 9.366 11.486 ( 0.461 6.153 0.787) 6.220 11.706 ( 1.843 2.923 0.119) 3.457 11.956 ( 1.585 0.264 -2.140) 2.677 12.217 ( -2.660 -1.868 9.147) 9.707 12.749 ( 6.309 10.232 2.750) 12.331 16.223 ( -1.705 -0.386 -1.403) 2.242 17.256 ( 1.139 6.619 2.280) 7.093 17.735 ( 0.875 1.789 12.513) 12.671 18.948 ( -3.277 -12.731 -16.052) 20.748 ======================= Grid point 193 (105/226) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -2.165 -3.658 -0.262) 4.259 2.151 ( -2.956 11.749 4.456) 12.909 2.365 ( 13.046 -3.704 9.788) 16.725 2.731 ( 6.177 3.906 3.962) 8.313 3.210 ( -15.592 3.903 9.012) 18.428 3.872 ( 6.157 -5.551 3.024) 8.824 4.010 ( 9.926 5.033 -0.774) 11.156 4.529 ( 1.587 -19.722 -1.498) 19.842 4.632 ( 11.874 -7.605 -8.110) 16.267 5.162 ( -2.761 -3.123 -0.748) 4.235 5.470 ( -5.707 -0.197 -5.607) 8.003 5.908 ( -2.183 -4.892 -0.509) 5.381 6.336 ( -12.013 5.267 2.841) 13.421 6.869 ( -2.323 -2.379 -7.183) 7.916 7.263 ( 1.741 4.663 -0.492) 5.001 7.386 ( -2.762 -0.664 9.067) 9.502 7.652 ( 7.685 3.064 3.346) 8.924 8.116 ( 3.358 -1.760 2.397) 4.485 8.810 ( -1.292 -5.554 -0.824) 5.761 9.845 ( -0.373 -0.607 -2.852) 2.939 10.035 ( -4.365 -0.858 -3.230) 5.498 11.564 ( 1.808 5.607 -0.567) 5.919 11.758 ( 2.034 2.689 -2.149) 3.998 11.995 ( 3.477 2.097 -2.341) 4.687 12.207 ( -4.137 -1.130 8.976) 9.948 12.984 ( 7.209 11.028 1.818) 13.300 16.186 ( -1.439 -0.304 -0.750) 1.651 17.361 ( 1.887 5.530 4.097) 7.137 17.780 ( -6.395 3.477 6.010) 9.439 18.696 ( 1.007 -15.393 -11.257) 19.096 ======================= Grid point 194 (106/226) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -4.814 -0.623 -1.548) 5.095 2.283 ( 4.882 9.803 0.072) 10.951 2.584 ( 6.469 -5.163 12.795) 15.239 2.923 ( 1.833 6.262 1.953) 6.810 3.060 ( -3.265 3.813 7.467) 8.998 3.834 ( 0.270 -18.122 -4.549) 18.687 4.142 ( 2.806 3.666 -7.049) 8.426 4.427 ( 1.852 -7.718 5.886) 9.881 4.690 ( 7.099 -6.830 -5.761) 11.412 5.091 ( -3.974 -0.508 0.574) 4.047 5.351 ( 1.296 -2.429 -2.117) 3.473 5.809 ( -5.322 -4.070 -0.107) 6.700 6.259 ( -5.801 5.494 1.783) 8.186 6.792 ( -0.253 -1.651 -3.756) 4.111 7.273 ( 0.464 -2.314 -5.786) 6.249 7.392 ( -4.341 2.219 11.647) 12.626 7.822 ( 5.506 2.963 1.903) 6.536 8.161 ( 2.024 -1.093 1.228) 2.608 8.734 ( -1.270 -4.256 0.155) 4.444 9.804 ( -1.513 -0.766 -1.243) 2.102 9.982 ( -0.883 0.762 -1.361) 1.792 11.634 ( 2.098 4.047 -2.340) 5.123 11.797 ( 2.486 2.615 -4.053) 5.427 12.056 ( 2.598 1.289 -0.664) 2.975 12.186 ( -4.451 -0.319 7.807) 8.992 13.183 ( 5.121 8.933 -2.868) 10.689 16.163 ( -0.790 -0.152 -0.055) 0.807 17.470 ( 1.082 3.271 7.673) 8.411 17.702 ( -6.825 2.059 0.134) 7.130 18.544 ( 2.584 -11.370 -6.505) 13.352 ======================= Grid point 195 (107/226) ======================= q-point: (-0.45 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -5.779 3.059 -3.556) 7.443 2.440 ( 1.170 5.785 -0.958) 5.980 2.653 ( 4.931 -7.688 8.354) 12.378 2.865 ( 1.429 -9.041 4.090) 10.026 3.361 ( 7.869 17.672 4.032) 19.761 3.510 ( -10.623 -17.709 -5.360) 21.335 4.094 ( -0.818 1.365 -11.857) 11.963 4.474 ( -1.899 -2.711 9.212) 9.788 4.624 ( -1.010 -4.190 -4.657) 6.345 5.074 ( 3.090 -0.646 0.277) 3.169 5.416 ( 2.083 -0.387 1.513) 2.603 5.703 ( -0.748 -1.442 1.064) 1.942 6.258 ( 0.422 1.774 0.198) 1.834 6.784 ( 1.273 0.422 0.885) 1.607 7.205 ( 0.808 -3.765 -6.575) 7.620 7.423 ( -2.370 0.892 7.751) 8.154 7.873 ( -1.744 0.909 -1.437) 2.435 8.170 ( -0.039 -1.264 -0.238) 1.287 8.714 ( 0.886 -1.617 3.292) 3.773 9.787 ( -0.224 1.067 1.023) 1.495 9.981 ( 0.279 0.697 -0.396) 0.849 11.666 ( 0.324 2.322 -3.134) 3.914 11.832 ( 2.094 2.873 -5.730) 6.743 12.086 ( 0.547 -1.613 3.601) 3.984 12.164 ( -3.187 0.156 3.907) 5.044 13.254 ( 0.332 4.100 -8.550) 9.488 16.157 ( 0.006 0.034 0.448) 0.449 17.536 ( -1.096 0.475 5.872) 5.992 17.670 ( 1.106 -0.479 3.998) 4.176 18.458 ( 0.031 -3.048 -5.258) 6.077 ======================= Grid point 196 (108/226) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -5.114 5.919 -4.138) 8.849 2.367 ( -5.733 -3.954 -1.632) 7.153 2.725 ( -0.951 -16.460 11.647) 20.187 2.900 ( 14.020 -5.624 -8.277) 17.224 3.106 ( -10.434 -8.362 -2.914) 13.685 3.643 ( 2.116 11.302 0.280) 11.502 4.057 ( -0.833 7.450 -4.146) 8.566 4.342 ( -9.595 -7.292 3.173) 12.462 4.609 ( -2.543 8.103 -5.050) 9.880 5.106 ( 0.164 -2.026 0.432) 2.078 5.460 ( 5.907 0.431 6.323) 8.664 5.762 ( 3.328 1.093 -0.203) 3.509 6.319 ( 7.041 -2.053 1.086) 7.415 6.847 ( 1.426 3.668 4.566) 6.028 7.148 ( 3.254 -4.528 -8.656) 10.297 7.428 ( -1.702 -0.779 3.444) 3.920 7.789 ( -6.165 -0.962 -1.833) 6.503 8.132 ( -2.022 -2.020 -1.197) 3.099 8.758 ( 1.080 0.736 4.549) 4.733 9.836 ( 1.717 3.235 3.624) 5.152 9.994 ( 0.673 0.617 -0.162) 0.927 11.652 ( -0.820 -0.017 -2.107) 2.261 11.816 ( -2.006 2.534 -7.309) 7.991 12.091 ( -1.904 -0.690 -1.454) 2.493 12.154 ( 1.107 -3.128 8.231) 8.875 13.161 ( -3.871 -1.782 -11.687) 12.440 16.170 ( 0.822 0.339 0.771) 1.177 17.551 ( 0.966 -3.235 3.257) 4.691 17.723 ( 2.413 -4.628 4.130) 6.656 18.445 ( -0.484 8.695 -1.326) 8.809 ======================= Grid point 197 (109/226) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -2.612 7.388 -3.096) 8.426 2.220 ( -2.853 -8.616 -4.653) 10.199 2.448 ( -13.232 -14.153 4.595) 19.913 2.925 ( -0.768 -5.733 0.687) 5.825 3.077 ( 11.217 -10.120 -7.509) 16.871 3.703 ( 3.031 2.570 -4.792) 6.225 4.092 ( -5.002 1.269 2.760) 5.852 4.188 ( -5.483 7.698 0.758) 9.482 4.561 ( -10.172 10.595 -4.729) 15.430 5.133 ( 3.962 2.146 1.924) 4.899 5.603 ( -0.346 1.254 2.624) 2.929 5.846 ( 8.687 2.283 1.717) 9.145 6.450 ( 10.639 -5.516 2.920) 12.335 6.945 ( -0.636 7.568 5.430) 9.336 7.110 ( 6.754 -6.704 -10.218) 13.963 7.406 ( -2.277 0.671 0.191) 2.381 7.649 ( -7.183 -4.043 0.654) 8.269 8.060 ( -3.274 -1.806 -1.476) 4.020 8.809 ( -0.068 2.045 3.762) 4.282 9.933 ( 0.501 3.215 6.164) 6.971 10.025 ( 3.183 3.016 -1.134) 4.529 11.619 ( -0.380 -2.757 -0.762) 2.886 11.734 ( -3.236 1.128 -7.639) 8.372 12.003 ( -5.410 -0.130 -2.644) 6.023 12.224 ( 3.883 -4.878 7.794) 9.981 12.971 ( -4.518 -6.093 -10.638) 13.065 16.200 ( 1.449 0.737 0.885) 1.851 17.538 ( 0.423 -7.307 2.998) 7.909 17.672 ( -1.872 -7.389 -3.015) 8.198 18.619 ( 4.104 18.021 4.799) 19.096 ======================= Grid point 198 (110/226) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -1.509 3.370 -1.935) 4.169 2.014 ( -5.774 -7.514 -5.243) 10.829 2.283 ( -1.969 -2.602 6.639) 7.397 2.775 ( -6.359 -10.365 -6.676) 13.872 3.052 ( 6.203 -12.787 -4.053) 14.778 3.771 ( 5.093 -0.215 -2.545) 5.697 4.016 ( -0.998 -6.140 3.098) 6.950 4.280 ( -1.030 17.593 -0.457) 17.629 4.449 ( -11.069 11.732 -2.793) 16.370 5.272 ( 5.492 3.660 1.923) 6.875 5.537 ( -5.461 1.551 -1.296) 5.823 6.020 ( 4.946 0.217 2.095) 5.376 6.582 ( 12.581 -9.709 0.002) 15.892 7.020 ( -1.455 8.498 0.413) 8.632 7.133 ( 6.909 -3.272 -3.098) 8.249 7.348 ( -8.784 5.528 -1.455) 10.480 7.530 ( -0.480 -7.874 4.528) 9.095 7.978 ( -3.587 -1.303 -1.290) 4.029 8.845 ( -0.736 2.388 2.725) 3.698 9.958 ( -1.948 0.120 3.489) 3.998 10.160 ( 5.246 8.523 0.160) 10.009 11.576 ( 0.004 -5.444 -0.184) 5.447 11.650 ( -1.029 -0.749 -5.814) 5.951 11.906 ( -4.743 1.928 -2.245) 5.591 12.264 ( 1.684 -6.509 4.830) 8.278 12.789 ( -2.204 -7.715 -5.585) 9.776 16.240 ( 1.637 1.056 0.703) 2.071 17.437 ( -2.021 -9.909 -6.771) 12.171 17.544 ( -4.274 -6.351 4.581) 8.922 18.929 ( 6.506 19.871 4.369) 21.360 ======================= Grid point 199 (111/226) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -2.929 -5.805 -5.916) 8.791 1.942 ( -1.005 3.038 0.237) 3.208 2.361 ( 2.380 3.965 5.821) 7.434 2.513 ( -4.110 -11.547 -5.165) 13.301 2.996 ( 2.779 -13.044 0.391) 13.343 3.805 ( 1.514 -0.759 0.919) 1.927 3.956 ( -2.474 -4.070 -0.855) 4.839 4.370 ( 1.621 4.655 -4.437) 6.632 4.534 ( -0.384 24.419 3.336) 24.649 5.293 ( -1.986 -4.461 -1.043) 4.993 5.546 ( 1.513 4.751 -0.113) 4.987 6.019 ( -0.883 -3.996 -1.194) 4.263 6.623 ( 7.775 -13.053 -7.153) 16.793 7.083 ( -4.685 4.654 -3.728) 7.583 7.151 ( -0.113 4.433 7.172) 8.432 7.301 ( -1.510 7.574 -2.096) 8.002 7.539 ( 3.640 -6.676 6.583) 10.058 7.911 ( -2.209 -1.331 0.180) 2.585 8.869 ( -0.890 2.124 2.129) 3.137 9.942 ( -1.665 -0.609 1.761) 2.499 10.318 ( 3.277 10.696 -2.605) 11.486 11.513 ( -0.684 -6.235 0.494) 6.292 11.618 ( 2.036 -2.240 -2.394) 3.859 11.869 ( -1.895 4.321 -1.539) 4.963 12.218 ( -1.375 -7.023 1.181) 7.253 12.687 ( 0.225 -7.792 0.525) 7.813 16.279 ( 1.322 1.167 0.208) 1.776 17.246 ( -3.684 -8.321 -6.214) 11.020 17.468 ( -3.029 -6.088 6.771) 9.596 19.219 ( 5.077 16.890 -0.259) 17.638 ======================= Grid point 202 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 2.606 7.991 5.723) 10.168 1.971 ( 5.722 -0.620 1.176) 5.874 2.222 ( -0.602 0.057 -0.115) 0.615 2.628 ( -2.496 -7.168 9.494) 12.155 3.107 ( 11.084 3.948 9.815) 15.322 3.742 ( -1.047 -6.409 -3.439) 7.349 3.953 ( 4.703 1.201 3.478) 5.971 4.354 ( -1.683 0.525 -5.563) 5.836 4.621 ( -1.083 -21.138 -4.998) 21.748 5.241 ( 1.314 1.198 -1.722) 2.475 5.539 ( 0.218 8.222 0.820) 8.266 5.963 ( 0.646 1.449 -4.326) 4.607 6.576 ( 12.367 6.405 -4.478) 14.629 6.920 ( -1.149 1.047 -0.765) 1.733 7.237 ( -2.844 2.402 -6.211) 7.241 7.324 ( -6.980 -10.512 2.528) 12.869 7.599 ( -2.283 4.571 4.954) 7.117 7.947 ( 2.174 -2.953 5.127) 6.304 8.945 ( -4.667 0.895 2.886) 5.560 9.867 ( -0.387 0.226 -1.456) 1.524 10.343 ( -2.600 -2.646 -7.627) 8.481 11.451 ( 2.156 1.429 1.374) 2.929 11.679 ( 0.012 3.354 -0.015) 3.354 11.945 ( -0.825 -1.739 -0.345) 1.956 12.239 ( 1.258 -1.945 11.041) 11.281 12.557 ( 5.482 3.500 -1.989) 6.802 16.263 ( -0.457 -0.601 -1.893) 2.038 17.240 ( -0.053 3.237 3.696) 4.913 17.574 ( 7.207 1.142 13.299) 15.169 19.158 ( -8.566 -4.072 -16.257) 18.821 ======================= Grid point 203 (113/226) ======================= q-point: ( 0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 7.144 -1.830 -1.200) 7.472 2.131 ( 0.244 -2.979 2.015) 3.604 2.226 ( 1.006 4.813 12.868) 13.776 2.606 ( 0.396 -1.739 3.704) 4.111 3.423 ( 10.463 9.197 10.884) 17.678 3.669 ( 2.708 -7.676 -0.538) 8.158 3.998 ( -5.633 3.237 -2.074) 6.820 4.285 ( 1.902 -2.395 -6.318) 7.019 4.403 ( 3.642 -21.408 -2.751) 21.890 5.257 ( -1.036 1.997 -2.998) 3.749 5.543 ( -1.800 -0.874 0.546) 2.075 5.985 ( -0.272 4.180 -3.175) 5.256 6.742 ( -6.228 9.597 -3.326) 11.914 6.918 ( 5.721 -4.757 -1.763) 7.646 7.125 ( 2.153 -4.971 -1.112) 5.531 7.251 ( -0.401 3.399 -1.203) 3.628 7.641 ( -1.696 1.888 7.242) 7.674 7.992 ( 3.229 -3.203 3.846) 5.956 8.882 ( -4.157 -0.966 0.595) 4.309 9.856 ( -0.790 0.692 -0.823) 1.334 10.202 ( -4.639 -3.708 -5.950) 8.407 11.520 ( 2.145 4.161 0.145) 4.684 11.716 ( 0.701 2.998 -0.163) 3.083 11.908 ( 0.439 -3.176 -1.063) 3.378 12.285 ( -0.592 -2.620 8.986) 9.379 12.731 ( 8.226 8.123 0.996) 11.603 16.234 ( -1.143 -0.228 -1.407) 1.827 17.298 ( 1.643 2.275 3.039) 4.136 17.812 ( 5.578 4.973 14.039) 15.904 18.825 ( -9.741 -9.177 -17.764) 22.241 ======================= Grid point 204 (114/226) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 1.522 -2.016 -5.154) 5.740 2.117 ( 10.186 -7.838 6.268) 14.299 2.370 ( -1.641 8.693 7.663) 11.704 2.691 ( 6.381 0.798 6.847) 9.393 3.592 ( -16.880 5.712 9.098) 20.008 3.678 ( 8.964 -10.955 -3.243) 14.521 3.925 ( 5.235 5.892 -3.238) 8.521 4.299 ( 10.578 -6.523 -8.578) 15.100 4.327 ( 5.196 -10.836 2.454) 12.265 5.183 ( -4.246 -1.888 -2.128) 5.111 5.510 ( -2.244 -0.892 -2.429) 3.425 5.949 ( -4.904 1.308 -1.308) 5.241 6.607 ( -12.987 5.483 0.780) 14.118 6.835 ( -3.105 -4.425 -5.193) 7.495 7.262 ( 0.458 3.035 -3.443) 4.613 7.338 ( 14.316 0.332 3.655) 14.779 7.678 ( -1.452 1.537 8.312) 8.576 8.044 ( 3.998 -2.539 2.229) 5.234 8.807 ( -3.246 -1.916 -0.360) 3.787 9.839 ( -1.274 0.014 -0.256) 1.299 10.066 ( -3.964 -1.997 -4.058) 6.014 11.589 ( 1.076 5.042 -1.428) 5.350 11.744 ( 0.473 1.135 -0.209) 1.247 11.911 ( 4.579 -1.410 -2.948) 5.626 12.303 ( -1.874 -2.189 8.681) 9.147 12.954 ( 8.441 8.012 0.112) 11.639 16.205 ( -1.471 0.148 -0.632) 1.607 17.384 ( 3.529 0.918 5.520) 6.615 17.995 ( -3.296 8.933 10.969) 14.525 18.468 ( -4.311 -13.321 -17.068) 22.076 ======================= Grid point 205 (115/226) ======================= q-point: (-0.55 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.284 -4.654 -0.066) 4.663 2.252 ( 6.243 1.922 -2.865) 7.132 2.504 ( 7.198 0.067 5.701) 9.183 2.906 ( 9.784 4.950 7.358) 13.205 3.291 ( -19.213 -0.983 0.229) 19.239 3.642 ( 1.768 -13.453 0.429) 13.575 4.047 ( 4.567 0.975 -9.954) 10.995 4.360 ( 5.561 -1.911 3.941) 7.079 4.447 ( 13.179 -1.529 -1.156) 13.317 5.124 ( -0.282 -0.108 1.215) 1.252 5.378 ( -8.020 -1.073 -4.858) 9.438 5.870 ( -5.226 -0.323 0.881) 5.310 6.463 ( -11.456 3.662 1.700) 12.147 6.732 ( -0.451 -3.721 -3.847) 5.372 7.231 ( -0.944 0.171 -6.655) 6.723 7.523 ( 2.284 0.005 6.983) 7.346 7.775 ( 4.310 2.846 6.345) 8.181 8.099 ( 3.887 -2.055 0.532) 4.429 8.745 ( -2.444 -0.974 0.847) 2.764 9.813 ( -1.447 -0.688 0.559) 1.697 9.991 ( -1.392 -0.014 -2.460) 2.827 11.630 ( 0.815 3.633 -2.416) 4.438 11.759 ( 1.309 0.970 -2.473) 2.961 11.976 ( 6.019 -0.460 -2.530) 6.546 12.295 ( -3.487 -2.506 8.170) 9.230 13.133 ( 6.573 5.839 -4.486) 9.870 16.182 ( -1.362 0.372 0.177) 1.423 17.500 ( 4.437 -1.666 9.977) 11.046 17.927 ( -16.479 5.246 -0.338) 17.297 18.320 ( 7.806 -6.636 -7.735) 12.838 ======================= Grid point 206 (116/226) ======================= q-point: (-0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -1.122 -1.881 -1.242) 2.518 2.357 ( 7.480 3.243 -5.012) 9.570 2.593 ( 1.764 -8.169 3.896) 9.221 2.882 ( -10.475 -6.539 -1.330) 12.420 3.301 ( 9.983 0.862 -0.851) 10.056 3.522 ( -2.769 -3.054 7.401) 8.472 4.000 ( 2.447 0.746 -14.630) 14.852 4.489 ( 4.988 -1.299 7.480) 9.084 4.581 ( 3.579 1.162 -2.143) 4.331 5.108 ( -5.532 2.636 -0.457) 6.145 5.335 ( 6.186 2.152 0.962) 6.620 5.761 ( -6.768 -2.237 0.439) 7.142 6.326 ( -7.528 -0.155 0.053) 7.530 6.709 ( 3.566 -2.617 -1.294) 4.608 7.172 ( -1.244 0.896 -5.515) 5.724 7.553 ( -3.724 0.204 7.693) 8.549 7.873 ( 0.949 0.593 0.784) 1.367 8.129 ( 2.370 -2.211 -1.418) 3.538 8.739 ( -0.466 1.419 4.713) 4.944 9.801 ( -0.113 0.163 1.555) 1.568 9.975 ( 0.355 0.176 -0.908) 0.990 11.657 ( 1.051 2.456 -3.106) 4.097 11.773 ( 2.185 0.967 -4.483) 5.081 12.044 ( 4.332 -1.253 -1.007) 4.621 12.250 ( -4.592 -3.450 6.659) 8.793 13.195 ( 2.332 1.927 -10.545) 10.970 16.171 ( -0.862 0.390 0.799) 1.238 17.615 ( 2.693 -5.177 13.521) 14.727 17.707 ( -9.411 0.649 -3.860) 10.193 18.379 ( 4.732 4.027 -4.179) 7.488 ======================= Grid point 207 (117/226) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -2.167 2.225 -2.781) 4.169 2.351 ( -5.473 -11.194 -6.276) 13.952 2.555 ( 9.891 -2.386 -5.525) 11.578 2.730 ( -2.802 -12.969 8.074) 15.532 3.158 ( -7.191 -10.137 -3.528) 12.919 3.678 ( 2.239 8.633 -6.053) 10.779 4.066 ( 7.762 9.279 -2.142) 12.286 4.476 ( -8.304 -4.787 7.317) 12.058 4.646 ( 3.660 8.699 -7.330) 11.949 5.088 ( -0.045 0.275 0.647) 0.704 5.434 ( 1.779 -0.019 2.203) 2.832 5.722 ( 3.157 2.713 1.789) 4.531 6.236 ( -0.891 -3.456 0.092) 3.570 6.775 ( 6.541 -1.349 0.488) 6.696 7.138 ( -2.143 3.011 -2.003) 4.204 7.520 ( -6.069 0.410 5.412) 8.142 7.827 ( -3.353 -2.265 -3.502) 5.351 8.114 ( 0.413 -2.514 -2.599) 3.640 8.807 ( 0.311 3.141 7.351) 8.000 9.844 ( 2.647 1.927 2.517) 4.129 9.986 ( 0.811 -0.288 0.846) 1.207 11.657 ( -0.780 1.005 -2.686) 2.972 11.780 ( 1.679 0.604 -6.944) 7.170 12.074 ( 1.612 -2.098 -0.157) 2.650 12.185 ( -3.081 -4.745 6.058) 8.289 13.100 ( -2.497 -2.876 -14.685) 15.171 16.173 ( -0.035 0.346 1.165) 1.216 17.561 ( -4.370 -1.002 -1.469) 4.718 17.685 ( 1.730 -8.075 8.461) 11.824 18.505 ( 3.779 11.930 0.507) 12.525 ======================= Grid point 208 (118/226) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -2.623 6.008 -3.553) 7.457 2.104 ( -1.752 -14.478 -6.003) 15.771 2.494 ( -6.429 -20.269 6.532) 22.245 2.716 ( 10.196 -3.116 -9.253) 14.116 2.986 ( -4.176 -4.687 1.087) 6.371 3.673 ( -1.486 5.872 -9.940) 11.640 4.139 ( -4.287 -4.406 -1.561) 6.343 4.413 ( -5.753 12.771 3.093) 14.345 4.713 ( -0.493 7.684 -9.565) 12.279 5.087 ( 3.590 -0.997 1.362) 3.967 5.567 ( 8.669 1.592 5.742) 10.520 5.812 ( 0.636 5.996 -0.071) 6.030 6.257 ( 6.655 -5.377 3.322) 9.178 6.874 ( 6.655 -1.493 -1.467) 6.977 7.133 ( -3.840 5.855 3.046) 7.636 7.448 ( -4.643 -0.411 1.756) 4.981 7.708 ( -4.476 -3.644 -3.398) 6.698 8.069 ( -1.065 -1.727 -2.581) 3.283 8.885 ( -1.092 3.775 6.889) 7.931 9.959 ( 5.881 4.023 2.004) 7.402 10.003 ( -0.008 -0.562 3.376) 3.422 11.617 ( -2.277 -1.595 -0.875) 2.915 11.720 ( -1.959 -0.571 -9.541) 9.757 12.045 ( -2.084 -1.527 -1.592) 3.035 12.174 ( 1.996 -5.819 7.381) 9.608 12.892 ( -4.115 -6.672 -14.594) 16.566 16.192 ( 0.925 0.346 1.172) 1.532 17.481 ( -1.895 -3.575 -3.112) 5.104 17.648 ( -1.408 -8.270 4.115) 9.344 18.740 ( 5.351 16.892 5.705) 18.615 ======================= Grid point 209 (119/226) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -2.851 -0.250 -3.062) 4.191 1.979 ( 1.224 -5.759 -1.000) 5.972 2.267 ( -1.286 -13.851 2.292) 14.098 2.690 ( 0.160 -7.095 -12.592) 14.454 2.906 ( -2.100 -5.743 3.290) 6.944 3.671 ( 3.313 3.062 -4.703) 6.517 3.993 ( -3.679 -6.856 -0.469) 7.795 4.461 ( -4.389 14.941 -8.779) 17.877 4.644 ( -3.523 3.066 -4.569) 6.534 5.222 ( 6.208 3.569 1.176) 7.256 5.640 ( -4.368 3.599 0.386) 5.673 5.957 ( 7.222 3.979 3.672) 9.026 6.314 ( 5.808 -9.563 0.598) 11.204 6.945 ( 6.122 -0.736 -2.268) 6.570 7.177 ( -2.153 7.961 4.766) 9.525 7.422 ( 0.566 -0.076 1.461) 1.569 7.579 ( -5.690 -2.292 0.353) 6.145 8.012 ( -2.822 -0.407 -2.522) 3.807 8.934 ( -2.505 3.944 5.786) 7.437 10.004 ( -0.967 -0.998 2.187) 2.591 10.135 ( 6.860 6.485 2.214) 9.696 11.537 ( -2.503 -5.778 -0.029) 6.297 11.617 ( -1.372 -0.684 -8.278) 8.419 11.979 ( -3.677 0.496 -1.089) 3.867 12.200 ( 2.244 -6.786 4.951) 8.695 12.687 ( -1.253 -8.077 -9.863) 12.809 16.223 ( 1.647 0.301 0.737) 1.829 17.364 ( -3.487 -5.825 -5.586) 8.792 17.568 ( -2.420 -7.539 4.561) 9.137 19.044 ( 5.779 18.497 5.252) 20.078 ======================= Grid point 210 (120/226) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -5.387 -5.319 -2.535) 7.984 1.983 ( -0.206 3.017 -0.080) 3.025 2.286 ( 11.295 -7.377 2.645) 13.747 2.472 ( -7.074 -4.066 -8.986) 12.138 2.853 ( 0.464 -8.147 3.501) 8.880 3.750 ( 4.218 2.001 -2.026) 5.090 3.897 ( 0.629 -8.316 1.396) 8.456 4.386 ( -1.983 1.835 -12.906) 13.185 4.724 ( 2.399 16.826 -1.808) 17.092 5.268 ( -0.653 -3.997 -1.277) 4.247 5.612 ( -5.472 4.746 1.202) 7.343 6.008 ( -2.072 -1.144 -0.307) 2.387 6.325 ( 8.637 -9.216 -4.718) 13.483 7.054 ( 7.298 1.365 -1.811) 7.642 7.199 ( -4.315 1.036 0.733) 4.498 7.464 ( 0.995 3.470 1.752) 4.013 7.547 ( -3.127 4.247 10.088) 11.383 7.936 ( -3.386 -0.479 -2.623) 4.310 8.960 ( -3.255 3.749 5.409) 7.342 9.977 ( -2.282 -1.663 1.685) 3.288 10.311 ( 5.838 7.778 -2.960) 10.166 11.459 ( -0.119 -6.113 0.798) 6.166 11.561 ( 0.866 -1.156 -3.238) 3.546 11.935 ( -2.626 2.960 -0.728) 4.023 12.171 ( -0.080 -7.082 1.749) 7.295 12.580 ( 2.356 -7.909 -3.210) 8.855 16.258 ( 1.896 0.123 -0.075) 1.902 17.210 ( -3.850 -5.362 -3.497) 7.470 17.492 ( -2.442 -7.199 5.348) 9.295 19.309 ( 3.277 16.220 0.212) 16.549 ======================= Grid point 213 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 8.211 0.572 1.572) 8.380 1.933 ( 3.471 6.543 -1.980) 7.666 2.259 ( -1.813 -0.750 3.950) 4.411 2.697 ( -4.986 -4.750 9.217) 11.505 2.884 ( 17.446 -3.364 0.993) 17.795 3.649 ( -0.878 -2.869 -6.638) 7.285 3.957 ( 2.976 -1.224 9.998) 10.503 4.167 ( 9.872 -12.389 -0.784) 15.860 4.638 ( -10.018 -2.374 -1.749) 10.443 5.183 ( 5.169 2.164 -2.231) 6.032 5.626 ( -3.573 5.672 -0.203) 6.706 5.966 ( -0.688 5.181 -4.695) 7.025 6.388 ( 8.492 0.719 -3.578) 9.243 6.955 ( 0.879 5.268 -3.750) 6.525 7.287 ( -4.580 0.377 -2.102) 5.053 7.339 ( -3.696 -10.384 6.445) 12.768 7.681 ( -2.789 3.976 -3.962) 6.268 7.950 ( -0.642 -0.943 4.539) 4.680 9.078 ( -6.845 1.941 1.735) 7.324 9.880 ( -0.341 2.031 0.825) 2.218 10.287 ( -0.234 -3.848 -6.051) 7.175 11.428 ( 2.615 0.321 2.064) 3.347 11.685 ( 1.002 0.850 -2.814) 3.105 11.959 ( -2.047 -1.119 1.433) 2.738 12.258 ( 2.002 -3.802 10.110) 10.985 12.454 ( 8.428 2.835 -2.621) 9.270 16.245 ( 0.510 -0.479 -1.403) 1.568 17.272 ( -0.070 -1.432 3.298) 3.596 17.552 ( 8.114 3.649 10.199) 13.534 19.201 ( -11.512 -0.659 -13.117) 17.465 ======================= Grid point 214 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 0.437 0.134 -3.313) 3.344 2.098 ( 1.127 -2.147 -1.479) 2.840 2.319 ( 5.956 1.845 15.427) 16.639 2.616 ( -3.804 -4.330 2.088) 6.131 3.150 ( 19.976 -5.178 -4.299) 21.079 3.626 ( 2.592 2.383 1.484) 3.821 4.042 ( 0.233 -1.379 8.300) 8.417 4.153 ( 4.754 -8.953 -0.762) 10.165 4.438 ( -14.716 0.834 -3.304) 15.105 5.258 ( 1.853 3.803 -2.861) 5.107 5.567 ( -3.676 -3.692 1.104) 5.326 6.013 ( 0.892 6.878 -3.489) 7.764 6.583 ( 17.412 -0.428 -1.954) 17.526 6.964 ( -3.240 3.687 -2.817) 5.659 7.118 ( -8.054 -2.795 -1.856) 8.725 7.300 ( -2.282 0.405 2.867) 3.687 7.678 ( 0.864 1.245 -1.044) 1.840 7.960 ( 0.778 -2.478 3.934) 4.714 8.975 ( -6.714 0.277 -1.300) 6.844 9.902 ( -1.963 3.145 2.847) 4.674 10.185 ( -2.606 -4.290 -4.692) 6.871 11.504 ( 3.579 2.015 1.408) 4.342 11.696 ( 2.817 0.531 -4.100) 5.003 11.903 ( -3.454 -3.400 2.022) 5.251 12.301 ( 1.663 -3.667 6.524) 7.667 12.650 ( 9.940 5.275 0.935) 11.292 16.238 ( -0.303 0.238 -0.973) 1.046 17.288 ( 1.846 -2.095 3.246) 4.282 17.797 ( 9.833 3.012 6.538) 12.186 18.887 ( -15.531 -0.943 -10.740) 18.906 ======================= Grid point 215 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 6.277 1.786 -4.755) 8.075 2.018 ( -0.776 -10.315 4.164) 11.151 2.482 ( -3.060 -1.646 2.302) 4.168 2.613 ( 9.355 -0.154 6.951) 11.656 3.362 ( 15.549 -6.022 -2.371) 16.842 3.795 ( 7.768 6.253 2.684) 10.327 4.034 ( -10.427 1.431 4.262) 11.355 4.125 ( -9.539 -2.805 -6.047) 11.637 4.198 ( 5.564 -3.093 0.646) 6.399 5.244 ( -4.668 2.487 -2.775) 5.973 5.497 ( -0.750 -4.357 0.712) 4.478 6.035 ( -2.561 3.841 -1.685) 4.914 6.787 ( 3.826 -0.529 -3.868) 5.466 6.864 ( -10.596 2.636 0.387) 10.926 7.107 ( 11.592 -0.260 5.181) 12.700 7.273 ( -2.128 0.584 -3.276) 3.950 7.712 ( 2.644 0.218 0.809) 2.773 7.986 ( 2.388 -2.041 2.281) 3.883 8.864 ( -5.093 -0.291 -1.688) 5.374 9.904 ( -3.877 2.478 3.568) 5.822 10.074 ( -3.153 -2.537 -3.611) 5.424 11.589 ( 2.865 3.527 -0.656) 4.591 11.734 ( 3.933 0.925 -3.472) 5.327 11.825 ( -1.837 -4.638 1.123) 5.113 12.336 ( 1.027 -3.308 6.531) 7.392 12.860 ( 9.669 4.138 -0.523) 10.530 16.227 ( -1.055 0.820 -0.333) 1.377 17.343 ( 4.283 -2.954 5.446) 7.531 17.988 ( 10.819 -2.608 -2.820) 11.481 18.559 ( -19.470 4.462 -3.516) 20.282 ======================= Grid point 216 (124/226) ======================= q-point: (-0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 0.468 -2.761 -2.790) 3.953 2.089 ( 12.802 -2.630 4.513) 13.826 2.411 ( 1.718 -3.919 -5.925) 7.308 2.822 ( 8.968 -1.590 8.754) 12.632 3.516 ( 7.862 -4.186 4.136) 9.820 3.642 ( -25.248 0.101 -5.376) 25.814 3.882 ( 3.735 -2.769 -11.497) 12.401 4.232 ( 10.280 2.709 3.275) 11.124 4.301 ( 7.225 1.050 3.815) 8.237 5.183 ( -3.946 4.886 0.680) 6.317 5.431 ( -3.084 -3.048 -2.464) 4.987 5.988 ( -6.066 2.144 0.834) 6.487 6.703 ( -12.263 3.359 -0.070) 12.715 6.724 ( -4.965 -3.226 0.308) 5.929 7.202 ( -1.059 0.103 -7.976) 8.046 7.390 ( 14.241 -2.152 5.518) 15.423 7.790 ( 4.137 1.834 3.488) 5.713 8.023 ( 3.133 -1.859 0.036) 3.643 8.795 ( -2.798 0.644 0.474) 2.910 9.874 ( -4.517 1.339 3.362) 5.788 9.996 ( -1.946 -0.500 -2.671) 3.343 11.636 ( 0.460 2.920 -3.055) 4.251 11.748 ( -0.997 -0.240 -0.123) 1.033 11.834 ( 7.295 -2.331 -2.159) 7.957 12.350 ( -0.744 -4.084 6.568) 7.770 13.018 ( 7.922 1.938 -4.929) 9.529 16.215 ( -1.515 0.999 0.272) 1.835 17.441 ( 6.046 -4.986 8.954) 11.899 17.995 ( 3.869 -11.385 -15.050) 19.263 18.375 ( -14.013 15.750 7.468) 22.365 ======================= Grid point 217 (125/226) ======================= q-point: (-0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 1.148 -3.224 -2.094) 4.012 2.259 ( 4.274 1.362 -1.279) 4.665 2.433 ( 9.854 -7.326 -1.098) 12.328 2.952 ( 1.378 -3.462 -0.942) 3.844 3.230 ( -12.033 -6.347 -3.875) 14.146 3.601 ( -0.844 0.006 10.036) 10.072 3.823 ( 6.079 0.130 -17.290) 18.328 4.393 ( 8.256 -3.219 3.497) 9.527 4.493 ( 7.805 4.171 0.386) 8.858 5.232 ( -2.690 7.892 1.989) 8.572 5.337 ( -2.028 1.976 -0.799) 2.942 5.885 ( -8.824 0.304 1.116) 8.900 6.487 ( -12.895 -2.335 -0.076) 13.105 6.661 ( -0.843 -0.302 0.160) 0.909 7.159 ( 0.188 1.950 -5.035) 5.403 7.553 ( 6.247 -3.505 3.172) 7.834 7.896 ( 1.308 2.351 3.512) 4.424 8.045 ( 3.001 -2.691 -2.470) 4.727 8.802 ( -0.271 2.678 4.897) 5.588 9.840 ( -3.092 0.922 2.776) 4.256 9.964 ( -0.087 -0.097 -1.420) 1.426 11.638 ( 0.739 1.161 -2.994) 3.295 11.735 ( 0.140 0.391 -2.770) 2.801 11.925 ( 6.833 -1.639 -1.289) 7.144 12.318 ( -3.047 -5.275 5.942) 8.510 13.073 ( 4.318 -0.920 -10.703) 11.577 16.201 ( -1.482 0.729 0.764) 1.820 17.551 ( 5.903 -7.680 10.707) 14.439 17.790 ( -4.761 -6.616 -10.876) 13.591 18.439 ( -3.623 15.727 4.908) 16.869 ======================= Grid point 218 (126/226) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 1.744 -2.544 -3.572) 4.719 2.260 ( 0.318 -8.408 -4.522) 9.552 2.440 ( -1.200 -1.059 -5.026) 5.275 2.745 ( -8.616 -11.359 1.593) 14.346 3.091 ( -0.254 -11.103 -2.957) 11.493 3.668 ( 2.465 6.225 -4.994) 8.353 3.945 ( 13.447 6.341 -3.782) 15.340 4.499 ( 7.131 -4.025 1.215) 8.278 4.592 ( 1.711 2.035 -2.669) 3.767 5.163 ( -7.624 2.662 -1.470) 8.208 5.431 ( 1.358 2.807 2.461) 3.972 5.790 ( -3.705 8.277 1.714) 9.229 6.288 ( -7.909 -1.880 -0.654) 8.156 6.695 ( 3.416 0.488 2.314) 4.154 7.171 ( 0.349 2.838 0.259) 2.871 7.608 ( 1.638 -1.829 2.717) 3.662 7.872 ( -6.865 0.100 -1.089) 6.952 8.035 ( 2.462 -3.890 -3.979) 6.085 8.891 ( 0.812 4.080 8.763) 9.701 9.841 ( 0.369 1.216 1.752) 2.164 9.970 ( 1.369 -0.662 1.115) 1.886 11.647 ( 1.223 0.438 -2.320) 2.659 11.715 ( 0.440 0.203 -5.418) 5.440 11.996 ( 4.605 -2.086 -0.686) 5.102 12.237 ( -4.371 -6.350 5.404) 9.414 12.992 ( -0.533 -4.010 -15.303) 15.829 16.192 ( -0.916 0.257 1.132) 1.479 17.599 ( -1.357 -5.880 -1.604) 6.244 17.623 ( 0.226 -5.910 2.320) 6.353 18.604 ( 1.181 15.804 6.253) 17.037 ======================= Grid point 219 (127/226) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 3.260 -5.514 -6.248) 8.948 2.027 ( -8.325 -8.345 -6.297) 13.364 2.397 ( -0.989 -12.895 1.124) 12.982 2.542 ( 0.209 -9.893 -2.486) 10.203 2.981 ( -0.649 -6.352 -0.030) 6.385 3.704 ( -0.597 8.444 -10.260) 13.301 4.109 ( 2.494 -3.564 -4.041) 5.938 4.538 ( 4.421 -2.576 -17.791) 18.512 4.660 ( 1.534 10.614 8.754) 13.843 5.049 ( -2.463 -2.429 -0.567) 3.506 5.493 ( 5.017 2.811 3.388) 6.675 5.916 ( -1.210 13.278 -0.029) 13.333 6.214 ( 0.072 1.072 3.125) 3.305 6.784 ( 4.266 0.482 1.732) 4.629 7.229 ( 0.478 3.889 5.478) 6.735 7.604 ( -6.707 2.326 3.460) 7.897 7.694 ( -6.229 -5.131 -5.522) 9.779 8.012 ( 2.593 -3.836 -3.353) 5.716 8.995 ( -0.783 4.323 8.905) 9.930 9.899 ( 4.156 1.888 -0.649) 4.611 10.013 ( 2.286 -0.889 5.530) 6.049 11.635 ( -1.460 -0.601 -0.896) 1.816 11.669 ( -0.708 -1.084 -8.469) 8.567 12.021 ( 1.450 -2.081 -0.929) 2.702 12.158 ( -1.542 -6.813 6.347) 9.438 12.791 ( -3.930 -6.457 -16.517) 18.165 16.193 ( 0.023 -0.157 1.184) 1.194 17.483 ( -3.575 -2.576 -4.261) 6.130 17.598 ( 0.626 -7.554 1.754) 7.781 18.857 ( 4.650 15.891 9.236) 18.959 ======================= Grid point 220 (128/226) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 4.894 -16.329 -2.591) 17.242 1.877 ( -0.261 -5.085 -7.352) 8.943 2.181 ( -4.588 -13.708 3.962) 14.989 2.530 ( 4.557 -4.510 -6.092) 8.844 2.930 ( -1.207 -4.167 1.424) 4.567 3.658 ( -1.490 0.188 -7.205) 7.360 4.005 ( -4.524 -1.402 -4.222) 6.345 4.397 ( 1.269 -8.103 -21.885) 23.372 4.762 ( -5.792 14.308 1.265) 15.487 5.142 ( 8.373 3.944 -0.186) 9.257 5.677 ( 7.434 3.273 4.662) 9.365 5.961 ( -0.488 7.148 0.610) 7.190 6.279 ( -2.640 2.616 1.263) 3.926 6.862 ( 4.082 0.027 1.754) 4.443 7.308 ( -1.617 4.055 4.836) 6.515 7.450 ( -6.388 -1.427 -1.407) 6.695 7.617 ( -0.996 -0.167 1.653) 1.937 8.008 ( 1.478 -1.098 -1.483) 2.365 9.063 ( -2.587 4.299 7.584) 9.093 9.977 ( 3.939 0.455 -1.340) 4.186 10.111 ( 4.433 1.679 5.973) 7.626 11.540 ( -4.621 -4.571 -4.896) 8.138 11.588 ( -1.993 -0.731 -3.446) 4.047 12.006 ( -0.420 -0.988 -0.473) 1.173 12.143 ( 1.216 -6.662 5.811) 8.924 12.561 ( -2.315 -7.379 -13.414) 15.483 16.205 ( 0.983 -0.491 0.769) 1.341 17.359 ( -4.833 -3.530 -4.324) 7.384 17.540 ( -0.203 -6.661 1.038) 6.744 19.157 ( 5.657 16.064 7.876) 18.763 ======================= Grid point 221 (129/226) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.467 -16.244 -1.249) 16.299 1.860 ( 16.707 -11.038 -2.886) 20.231 2.100 ( -1.632 -0.777 -0.180) 1.817 2.469 ( -1.919 -3.564 -4.222) 5.849 2.874 ( -2.240 -3.175 2.549) 4.647 3.643 ( 7.596 -5.418 -2.555) 9.674 3.904 ( -6.574 2.025 -1.148) 6.974 4.170 ( 2.688 -13.479 -20.141) 24.383 4.856 ( -1.119 19.836 -4.328) 20.333 5.228 ( 0.840 -0.942 -2.687) 2.969 5.801 ( -3.123 9.831 1.903) 10.489 6.062 ( -1.717 1.936 3.077) 4.021 6.147 ( -1.806 -6.722 -2.915) 7.546 6.947 ( 5.449 -0.318 1.005) 5.550 7.275 ( -4.580 -1.665 -0.332) 4.884 7.435 ( 3.819 -0.439 1.319) 4.064 7.684 ( 1.316 6.770 6.531) 9.498 7.997 ( -3.902 3.358 -0.974) 5.239 9.100 ( -3.638 4.204 7.090) 9.010 9.998 ( -0.742 -2.057 1.304) 2.547 10.243 ( 6.193 3.908 -3.055) 7.935 11.427 ( -1.081 -3.855 0.718) 4.068 11.528 ( -0.953 -1.416 -2.120) 2.722 11.988 ( -1.440 0.842 0.089) 1.670 12.121 ( 0.032 -6.309 2.811) 6.907 12.430 ( 2.898 -7.287 -6.519) 10.198 16.224 ( 1.636 -0.781 -0.007) 1.813 17.219 ( -4.439 -3.408 -2.270) 6.039 17.482 ( -0.932 -6.804 2.874) 7.445 19.412 ( 2.793 14.593 1.650) 14.950 ======================= Grid point 224 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 18.426 3.720 2.628) 18.981 1.825 ( 9.475 -5.281 -2.728) 11.185 2.254 ( 0.203 -8.456 -1.152) 8.537 2.484 ( 12.808 -2.532 -1.660) 13.161 2.892 ( -1.652 -0.191 4.620) 4.911 3.606 ( 5.937 -2.230 -1.887) 6.616 3.920 ( 6.254 -3.735 9.713) 12.141 3.962 ( 3.826 -1.080 11.621) 12.283 4.787 ( -13.862 -3.026 -1.182) 14.237 5.140 ( 2.469 4.969 0.159) 5.551 5.752 ( -4.454 6.859 -3.044) 8.726 6.013 ( -2.503 5.376 -3.874) 7.083 6.282 ( 1.143 -3.984 -0.124) 4.147 6.934 ( 2.595 3.051 -4.463) 5.997 7.312 ( 2.467 -2.300 5.700) 6.623 7.373 ( -4.838 -3.878 2.253) 6.597 7.725 ( -3.767 1.441 -6.104) 7.316 8.002 ( -3.563 1.945 -0.753) 4.128 9.193 ( -5.947 0.568 -3.422) 6.884 9.928 ( 0.448 4.967 2.946) 5.792 10.209 ( 1.368 -3.169 -3.125) 4.656 11.414 ( 1.160 -0.148 3.134) 3.345 11.629 ( 1.271 -3.279 -3.896) 5.248 11.994 ( -1.325 0.179 0.615) 1.471 12.222 ( 3.002 -5.844 1.917) 6.844 12.330 ( 9.008 2.313 4.686) 10.414 16.220 ( 1.234 -0.183 -0.733) 1.446 17.269 ( -0.308 -4.098 3.326) 5.287 17.508 ( 6.995 2.103 4.898) 8.795 19.333 ( -11.228 4.064 -8.671) 14.757 ======================= Grid point 225 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 1.755 -2.041 -0.340) 2.713 2.013 ( 7.026 1.531 -4.771) 8.630 2.232 ( 9.826 -6.319 6.435) 13.337 2.578 ( 4.273 -8.428 -2.613) 9.804 2.897 ( 3.369 0.039 3.529) 4.879 3.630 ( 0.607 4.689 -0.183) 4.732 3.984 ( 6.554 -3.890 0.550) 7.641 4.165 ( -1.244 0.057 16.302) 16.349 4.610 ( -7.145 0.405 0.286) 7.162 5.239 ( 3.401 4.332 -0.424) 5.524 5.639 ( -8.395 -1.201 -0.122) 8.481 6.035 ( 0.087 4.911 -3.385) 5.965 6.316 ( 10.772 -4.361 -0.291) 11.625 6.969 ( 1.733 2.678 -3.034) 4.403 7.243 ( -6.761 0.289 -2.100) 7.085 7.374 ( -2.245 2.097 5.142) 5.989 7.658 ( -0.959 1.071 -6.179) 6.344 7.962 ( -1.336 -2.673 2.371) 3.815 9.059 ( -6.246 -0.610 -5.441) 8.306 9.996 ( -0.866 4.178 2.949) 5.187 10.166 ( -2.026 -1.192 -0.609) 2.428 11.474 ( 3.243 0.461 3.038) 4.468 11.600 ( 2.918 -3.197 -4.316) 6.112 11.954 ( -3.531 -1.879 1.438) 4.250 12.245 ( 4.172 -3.908 1.343) 5.872 12.534 ( 9.707 1.839 3.772) 10.575 16.235 ( 0.659 0.728 -0.431) 1.073 17.255 ( 1.016 -4.239 3.452) 5.561 17.655 ( 8.944 -2.146 -1.619) 9.339 19.129 ( -14.806 7.078 -3.480) 16.776 ======================= Grid point 226 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 1.141 -4.319 -1.562) 4.732 1.967 ( -1.428 -5.410 -0.666) 5.635 2.439 ( 4.128 -0.879 -8.571) 9.553 2.514 ( 5.612 -6.663 13.089) 15.723 3.068 ( 14.670 -1.220 -0.630) 14.735 3.734 ( 4.838 5.060 0.462) 7.016 4.059 ( 6.000 -4.593 -0.333) 7.564 4.175 ( -5.804 4.676 8.985) 11.674 4.431 ( -18.138 2.733 -1.555) 18.409 5.306 ( 0.757 3.543 -1.356) 3.868 5.508 ( -5.607 -2.859 1.366) 6.441 6.056 ( 1.465 0.498 -1.274) 2.004 6.553 ( 18.323 -1.419 2.722) 18.579 6.994 ( -2.686 2.911 1.063) 4.101 7.139 ( -4.882 4.461 -1.162) 6.714 7.324 ( -7.254 -1.354 0.088) 7.380 7.636 ( 3.555 -0.600 -5.472) 6.553 7.950 ( 1.045 -2.438 1.526) 3.060 8.923 ( -4.986 -0.646 -4.471) 6.728 10.000 ( -1.657 -0.653 0.023) 1.781 10.127 ( -5.623 4.347 2.946) 7.694 11.563 ( 4.088 1.391 2.263) 4.875 11.608 ( 4.789 -2.739 -3.866) 6.737 11.872 ( -4.722 -2.277 1.360) 5.416 12.292 ( 4.063 -3.776 2.322) 6.013 12.721 ( 9.638 0.335 0.859) 9.682 16.248 ( -0.223 1.412 -0.073) 1.432 17.278 ( 3.443 -4.741 5.175) 7.817 17.725 ( 8.974 -7.039 -8.585) 14.275 18.949 ( -16.997 11.617 1.811) 20.667 ======================= Grid point 227 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 11.670 -5.211 3.174) 13.169 1.907 ( -1.664 -0.966 -1.439) 2.403 2.341 ( -2.500 -2.569 -5.368) 6.455 2.694 ( 9.423 -5.052 6.464) 12.494 3.282 ( 14.538 -4.942 -2.536) 15.563 3.803 ( -0.742 -0.479 -1.319) 1.588 3.986 ( -14.551 -1.444 -7.273) 16.331 4.178 ( -4.937 2.128 2.976) 6.145 4.278 ( 3.611 8.836 3.809) 10.277 5.322 ( -2.549 5.769 0.077) 6.307 5.421 ( -3.138 -2.232 0.906) 3.956 6.064 ( -0.735 -0.401 0.618) 1.040 6.780 ( 2.761 -0.053 3.766) 4.670 6.913 ( -9.533 2.734 -0.843) 9.953 7.152 ( -3.196 -4.039 -6.624) 8.391 7.224 ( 6.993 1.651 6.470) 9.669 7.700 ( 7.804 0.671 -2.693) 8.283 7.958 ( 2.045 -2.247 -0.988) 3.195 8.841 ( -2.309 0.605 -1.245) 2.692 9.956 ( -1.580 -1.152 -1.126) 2.257 10.087 ( -8.099 5.248 3.848) 10.389 11.615 ( 1.791 -0.215 -2.862) 3.383 11.682 ( 7.293 -1.064 0.478) 7.385 11.791 ( -3.950 -0.913 1.047) 4.187 12.326 ( 2.631 -4.814 2.941) 6.225 12.854 ( 8.277 -1.772 -3.494) 9.158 16.250 ( -1.167 1.499 0.112) 1.903 17.348 ( 5.743 -6.205 8.178) 11.762 17.703 ( 6.888 -9.268 -12.601) 17.091 18.828 ( -16.082 15.818 4.804) 23.064 ======================= Grid point 228 (134/226) ======================= q-point: (-0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -1.326 -1.285 -1.678) 2.495 2.141 ( 18.291 0.103 5.027) 18.970 2.254 ( -2.260 -0.726 -3.764) 4.450 2.800 ( 8.129 -7.875 -0.093) 11.318 3.291 ( -2.986 -16.113 -6.835) 17.755 3.693 ( -5.572 9.567 -14.750) 18.443 3.730 ( -8.187 -0.863 6.323) 10.381 4.238 ( 6.896 -2.933 -0.036) 7.494 4.452 ( 4.654 6.316 2.816) 8.336 5.351 ( 0.015 -2.210 -0.421) 2.250 5.388 ( -3.251 11.122 2.392) 11.832 6.026 ( -4.840 0.584 1.649) 5.146 6.667 ( -13.244 -5.720 -1.826) 14.541 6.757 ( -7.983 4.296 1.756) 9.234 7.129 ( 3.242 2.788 -4.227) 6.012 7.397 ( 8.695 -4.458 4.834) 10.901 7.856 ( 8.654 2.458 0.724) 9.025 7.953 ( 2.207 -3.078 -3.538) 5.183 8.851 ( 0.907 2.589 3.546) 4.483 9.921 ( -1.266 -0.042 -0.553) 1.382 10.017 ( -7.897 3.481 2.932) 9.115 11.606 ( 1.028 -1.162 -3.432) 3.767 11.741 ( -1.805 -0.137 -0.144) 1.816 11.799 ( 6.377 -0.110 0.771) 6.424 12.320 ( 0.260 -6.043 3.097) 6.796 12.900 ( 5.525 -4.026 -8.862) 11.193 16.240 ( -1.684 0.956 0.279) 1.956 17.445 ( 6.237 -7.956 9.765) 14.055 17.621 ( 4.077 -8.297 -12.171) 15.284 18.794 ( -12.032 18.315 5.739) 22.652 ======================= Grid point 229 (135/226) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -0.844 -1.581 -4.121) 4.494 2.174 ( -1.191 -4.151 -3.838) 5.777 2.415 ( 4.883 -0.288 6.482) 8.120 2.748 ( -3.994 -11.467 -10.675) 16.168 2.970 ( -3.446 -12.121 -4.177) 13.276 3.657 ( 0.809 6.321 -7.976) 10.209 3.762 ( 7.096 0.029 1.797) 7.321 4.307 ( 7.641 -5.602 -4.288) 10.400 4.570 ( 3.149 4.346 0.929) 5.447 5.273 ( -4.970 -3.052 -2.080) 6.191 5.504 ( -0.604 9.707 3.910) 10.483 5.977 ( -5.647 9.734 0.651) 11.272 6.402 ( -9.798 -3.151 -4.656) 11.297 6.726 ( -2.848 2.993 5.074) 6.543 7.198 ( 1.733 3.932 2.487) 4.965 7.491 ( 7.232 -6.334 1.316) 9.704 7.923 ( 2.099 -4.516 -4.868) 6.964 7.965 ( -0.397 3.506 -0.528) 3.567 8.959 ( 2.908 3.899 8.368) 9.679 9.899 ( -3.008 1.274 1.445) 3.572 9.961 ( -1.935 0.426 1.426) 2.441 11.597 ( 2.016 -0.989 -2.979) 3.730 11.705 ( -1.889 0.442 -2.581) 3.229 11.898 ( 5.295 -0.880 1.110) 5.481 12.262 ( -2.329 -6.902 3.144) 7.934 12.836 ( 1.728 -5.925 -13.650) 14.980 16.221 ( -1.524 0.137 0.598) 1.643 17.497 ( 2.968 -5.754 -2.623) 6.985 17.547 ( 3.381 -8.542 0.354) 9.194 18.863 ( -6.184 18.348 7.728) 20.847 ======================= Grid point 230 (136/226) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -2.113 -6.071 -9.345) 11.342 2.037 ( -6.566 -8.615 -3.321) 11.329 2.369 ( -5.143 -6.322 1.562) 8.298 2.439 ( -4.424 -14.296 -6.875) 16.469 2.899 ( 2.138 -7.831 0.768) 8.154 3.659 ( 1.754 -2.929 -10.105) 10.666 3.939 ( 10.956 2.088 -2.470) 11.423 4.301 ( 4.823 -4.221 -13.898) 15.305 4.732 ( 7.843 10.140 5.526) 13.959 5.124 ( -6.958 -2.537 -1.389) 7.535 5.559 ( -4.762 8.457 3.194) 10.217 6.064 ( -1.071 13.972 -1.283) 14.071 6.247 ( -1.958 -0.052 -2.840) 3.450 6.772 ( 0.651 1.823 4.475) 4.876 7.295 ( 1.238 4.328 6.703) 8.074 7.541 ( 5.993 -6.701 -0.460) 9.002 7.881 ( 0.903 -3.814 -2.514) 4.657 7.896 ( -9.364 3.354 -2.240) 10.196 9.097 ( 1.139 3.953 9.586) 10.431 9.879 ( -0.896 1.377 0.353) 1.680 9.988 ( 3.139 -1.437 4.208) 5.443 11.606 ( 1.814 -1.102 -3.111) 3.766 11.648 ( -2.266 0.219 -4.340) 4.901 11.965 ( 3.090 -1.203 1.217) 3.532 12.168 ( -3.133 -7.205 3.791) 8.723 12.668 ( -2.058 -6.974 -15.989) 17.565 16.203 ( -0.841 -0.583 0.818) 1.310 17.439 ( 1.141 -3.343 -7.530) 8.318 17.530 ( 0.817 -7.215 2.300) 7.617 19.037 ( -0.336 15.913 10.857) 19.267 ======================= Grid point 231 (137/226) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -0.500 -16.782 -10.777) 19.951 1.775 ( -6.592 -18.613 -4.468) 20.245 2.207 ( -4.870 -8.293 7.724) 12.335 2.371 ( 5.823 -1.497 -6.097) 8.563 2.836 ( 2.677 -14.713 -1.539) 15.034 3.522 ( 1.378 -13.704 -8.537) 16.204 4.018 ( -0.325 0.263 -8.691) 8.701 4.239 ( -0.125 9.901 -18.435) 20.926 5.017 ( -6.392 5.317 0.108) 8.315 5.047 ( 9.181 11.867 4.637) 15.704 5.623 ( 3.398 5.180 3.985) 7.366 6.058 ( -3.967 3.368 -0.037) 5.204 6.338 ( 3.458 8.263 -4.416) 9.987 6.824 ( 2.109 0.306 2.812) 3.528 7.343 ( -0.729 -3.805 -0.732) 3.943 7.524 ( -3.691 -2.154 -2.437) 4.919 7.754 ( -9.739 6.444 4.871) 12.653 7.919 ( 6.805 -1.423 3.823) 7.934 9.189 ( -1.459 3.602 8.062) 8.950 9.906 ( 3.131 1.100 -1.635) 3.700 10.080 ( 4.860 -1.846 6.632) 8.427 11.531 ( -3.775 -0.774 -8.115) 8.983 11.612 ( -1.691 -1.739 0.713) 2.528 11.989 ( 0.525 -0.952 0.847) 1.378 12.106 ( 0.300 -6.889 5.307) 8.701 12.446 ( -3.302 -6.835 -15.041) 16.848 16.194 ( 0.054 -1.069 0.661) 1.258 17.364 ( -2.107 -3.290 -4.620) 6.051 17.476 ( 0.242 -4.449 -2.355) 5.039 19.280 ( 3.481 13.300 10.884) 17.535 ======================= Grid point 232 (138/226) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 15.967 -19.877 -1.400) 25.534 1.452 ( -1.351 -25.479 -3.915) 25.814 2.167 ( -2.675 1.467 3.835) 4.901 2.408 ( 2.428 -2.809 -3.816) 5.325 2.706 ( 9.790 -23.486 -6.890) 26.361 3.418 ( 3.862 -8.211 -2.044) 9.302 3.853 ( -1.442 -7.489 -17.260) 18.870 4.216 ( -10.733 17.714 -5.562) 21.446 5.009 ( -1.164 8.121 -3.570) 8.947 5.233 ( -0.780 12.221 -3.014) 12.611 5.808 ( 9.397 2.068 5.993) 11.335 6.093 ( 1.376 5.016 2.448) 5.748 6.273 ( -13.043 -0.283 -5.783) 14.271 6.889 ( 2.674 -1.046 2.370) 3.724 7.248 ( 1.807 -7.647 -4.574) 9.092 7.414 ( -3.158 0.270 -1.024) 3.331 7.749 ( -0.934 1.626 2.556) 3.170 8.100 ( 1.796 10.080 8.622) 13.385 9.237 ( -2.544 3.442 6.933) 8.148 9.967 ( 3.596 -0.122 -0.528) 3.636 10.160 ( 3.328 -1.498 -1.056) 3.800 11.426 ( -1.690 -0.201 -2.115) 2.714 11.549 ( -3.864 -2.694 1.751) 5.025 11.996 ( 0.487 -0.915 1.773) 2.054 12.093 ( 0.043 -5.521 4.258) 6.972 12.272 ( 1.313 -5.993 -10.355) 12.036 16.194 ( 0.873 -1.316 0.174) 1.589 17.249 ( -4.303 -2.793 -2.445) 5.683 17.435 ( 0.807 -4.376 -0.770) 4.515 19.512 ( 2.651 11.716 4.630) 12.874 ======================= Grid point 268 (139/226) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.000 -0.000 21.980) 21.980 1.119 ( -0.000 -0.000 21.980) 21.980 2.098 ( -0.000 -0.000 43.804) 43.804 2.428 ( -0.000 -0.000 5.733) 5.733 2.428 ( -0.000 -0.000 5.733) 5.733 3.245 ( 0.000 0.000 -2.914) 2.914 4.657 ( 0.000 0.000 -14.750) 14.750 5.050 ( -0.000 -0.000 5.204) 5.204 5.050 ( -0.000 -0.000 5.204) 5.204 5.623 ( -0.000 -0.000 4.732) 4.732 6.209 ( 0.000 0.000 -6.575) 6.575 6.209 ( 0.000 0.000 -6.575) 6.575 6.845 ( -0.000 -0.000 4.305) 4.305 6.845 ( -0.000 -0.000 4.305) 4.305 7.252 ( 0.000 0.000 -0.667) 0.667 7.381 ( 0.000 0.000 0.347) 0.347 7.381 ( -0.000 -0.000 0.347) 0.347 7.882 ( 0.000 0.000 -14.952) 14.952 9.613 ( -0.000 -0.000 8.700) 8.700 9.879 ( 0.000 0.000 -2.165) 2.165 9.879 ( 0.000 0.000 -2.165) 2.165 11.427 ( 0.000 0.000 -3.167) 3.167 11.427 ( 0.000 0.000 -3.167) 3.167 11.674 ( 0.000 0.000 -1.583) 1.583 12.115 ( -0.000 -0.000 5.785) 5.785 12.115 ( -0.000 -0.000 5.785) 5.785 16.162 ( -0.000 -0.000 0.854) 0.854 17.155 ( 0.000 0.000 -0.985) 0.985 17.155 ( 0.000 0.000 -0.985) 0.985 19.933 ( 0.000 0.000 -0.307) 0.307 ======================= Grid point 269 (140/226) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 7.284 11.193 15.044) 20.116 1.516 ( 14.141 7.443 16.603) 23.044 2.345 ( 0.899 -10.035 18.480) 21.048 2.391 ( -2.587 3.794 17.477) 18.070 2.590 ( 3.988 4.178 5.340) 7.866 3.340 ( 8.326 4.082 11.321) 14.634 4.436 ( -9.326 -5.384 -10.395) 14.967 4.828 ( -23.048 -4.739 6.451) 24.398 5.107 ( 5.094 -8.147 4.214) 10.491 5.752 ( 6.927 -1.361 -3.954) 8.092 5.997 ( -6.977 3.265 -1.439) 7.836 6.250 ( -0.204 -1.809 -3.847) 4.256 6.698 ( -20.842 -3.933 5.579) 21.931 6.870 ( 5.584 -6.251 4.421) 9.477 7.136 ( -2.208 4.131 5.982) 7.598 7.241 ( -2.909 -5.744 -1.891) 6.710 7.707 ( 2.555 -1.296 -2.218) 3.623 7.825 ( 11.187 12.287 -17.834) 24.376 9.493 ( -12.275 -5.785 7.482) 15.495 9.882 ( 0.245 0.125 -2.051) 2.070 9.909 ( 6.946 -2.671 -2.691) 7.913 11.369 ( -3.940 6.412 -3.479) 8.291 11.540 ( 6.189 0.753 -1.133) 6.337 11.720 ( 6.010 2.010 -3.273) 7.133 12.094 ( -0.528 -0.505 5.491) 5.539 12.264 ( 4.586 4.003 5.466) 8.181 16.173 ( 0.579 0.323 0.745) 0.997 17.085 ( -2.627 -0.190 -1.536) 3.049 17.303 ( 9.398 4.325 -0.248) 10.349 19.820 ( -8.251 -5.797 -0.619) 10.103 ======================= Grid point 270 (141/226) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 12.118 17.103 5.043) 21.559 1.874 ( 9.818 6.242 7.919) 14.073 2.328 ( 0.643 -7.286 13.432) 15.295 2.534 ( 0.028 -2.882 10.944) 11.317 2.686 ( 1.064 6.311 8.650) 10.761 3.686 ( 9.442 5.726 18.668) 21.690 4.200 ( -6.587 -6.612 -6.656) 11.464 4.416 ( -18.792 -7.733 7.981) 21.832 5.123 ( 2.646 -6.242 1.726) 6.996 5.585 ( -7.148 -13.855 -8.409) 17.714 6.086 ( -1.508 -0.421 -0.595) 1.675 6.152 ( -3.838 3.973 4.755) 7.288 6.406 ( -14.690 3.113 3.814) 15.493 6.931 ( 4.575 -5.650 2.918) 7.834 7.116 ( 0.208 -0.422 -6.085) 6.103 7.265 ( 3.875 -1.368 7.632) 8.668 7.591 ( -5.866 4.985 -12.615) 14.778 8.029 ( 7.390 4.903 -4.294) 9.854 9.278 ( -11.368 -6.733 4.955) 14.110 9.868 ( 0.287 -0.093 -2.292) 2.312 10.006 ( 10.296 -2.468 -4.192) 11.387 11.362 ( -2.757 8.059 -2.882) 8.992 11.601 ( 1.801 0.131 0.801) 1.975 11.812 ( 5.509 0.176 -2.645) 6.114 12.149 ( 1.970 0.142 5.638) 5.974 12.409 ( 2.873 6.549 4.176) 8.281 16.197 ( 1.292 0.757 0.220) 1.513 17.050 ( -1.060 0.911 -0.569) 1.509 17.494 ( 7.433 3.464 3.325) 8.849 19.592 ( -8.873 -7.607 -4.644) 12.576 ======================= Grid point 271 (142/226) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 1.120 2.199 -0.159) 2.473 2.055 ( 6.583 1.650 -0.546) 6.809 2.475 ( -5.525 -5.014 8.487) 11.300 2.493 ( 5.382 8.626 8.981) 13.566 2.891 ( 2.197 5.511 21.285) 22.097 3.839 ( -4.899 0.989 6.295) 8.037 3.893 ( -9.460 -6.567 -2.238) 11.732 4.447 ( 10.937 -2.601 7.799) 13.682 5.085 ( -1.225 -5.191 -3.315) 6.280 5.272 ( -6.963 -13.278 -0.362) 14.997 5.864 ( -15.469 -2.392 -2.437) 15.841 6.141 ( -5.472 -0.296 -1.003) 5.572 6.406 ( 1.069 7.188 2.166) 7.582 6.958 ( 5.000 -4.574 -0.750) 6.818 7.138 ( 4.992 1.718 -2.995) 6.070 7.304 ( 0.432 -6.952 -0.748) 7.005 7.515 ( -5.120 11.937 -1.533) 13.079 8.098 ( 0.415 -0.195 1.164) 1.251 9.078 ( -8.512 -5.514 2.315) 10.403 9.862 ( 0.427 0.813 -2.383) 2.554 10.124 ( 10.442 -1.658 -6.556) 12.440 11.390 ( -1.000 7.028 -1.128) 7.187 11.624 ( 0.339 -0.024 0.895) 0.957 11.871 ( 4.173 -1.453 -0.629) 4.463 12.217 ( 1.600 -1.295 6.981) 7.278 12.527 ( 0.341 7.725 2.275) 8.061 16.228 ( 1.542 1.018 -0.751) 1.995 17.064 ( 0.781 1.548 1.916) 2.584 17.641 ( 2.558 1.455 8.798) 9.277 19.345 ( -5.949 -6.583 -11.572) 14.582 ======================= Grid point 272 (143/226) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -1.861 -9.893 4.015) 10.838 2.101 ( -0.109 0.620 -5.257) 5.294 2.317 ( -8.692 -5.225 5.728) 11.647 2.759 ( -0.392 14.347 11.509) 18.397 3.091 ( 0.774 -1.038 21.367) 21.406 3.748 ( 0.558 -0.082 4.154) 4.192 3.893 ( 3.106 3.331 -3.835) 5.954 4.441 ( -6.845 -9.377 -6.346) 13.231 5.056 ( 8.541 -7.913 2.803) 11.977 5.159 ( -1.893 -0.788 -1.310) 2.434 5.558 ( -17.134 0.431 -1.950) 17.250 6.029 ( -3.154 -3.186 -5.197) 6.864 6.470 ( 1.954 1.319 -2.972) 3.793 7.005 ( 3.739 -1.231 -1.516) 4.218 7.110 ( -0.410 -8.162 -10.484) 13.293 7.325 ( 2.839 7.211 7.188) 10.571 7.580 ( -2.266 7.413 6.238) 9.950 8.078 ( -3.104 -1.914 4.006) 5.418 8.949 ( -3.668 -2.241 1.047) 4.423 9.861 ( 0.150 1.307 -2.305) 2.654 10.213 ( 8.380 -1.419 -8.889) 12.299 11.440 ( 0.020 4.676 1.362) 4.870 11.626 ( -0.119 -0.326 0.148) 0.377 11.915 ( 2.921 -1.598 0.797) 3.424 12.274 ( 1.227 -2.733 9.231) 9.705 12.586 ( -2.671 6.509 0.309) 7.042 16.251 ( 1.078 0.915 -1.822) 2.307 17.129 ( 2.297 1.705 4.977) 5.740 17.716 ( -2.971 -1.133 13.490) 13.860 19.138 ( -0.710 -3.150 -18.521) 18.801 ======================= Grid point 273 (144/226) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 1.970 -11.256 11.575) 16.265 2.016 ( -4.977 1.020 -4.871) 7.038 2.226 ( -2.495 -3.246 4.279) 5.922 2.878 ( -7.056 9.407 10.648) 15.864 3.161 ( -3.808 -6.024 14.974) 16.584 3.817 ( -3.234 1.238 -2.905) 4.520 3.950 ( 3.327 0.562 4.584) 5.692 4.222 ( 2.485 -3.611 -10.775) 11.633 4.973 ( -14.342 3.277 -4.920) 15.512 5.195 ( 6.299 -4.964 -2.250) 8.330 5.385 ( -1.657 -1.468 2.074) 3.034 5.927 ( -1.065 -2.119 -6.212) 6.650 6.439 ( -0.548 -5.740 -4.836) 7.526 6.916 ( -3.275 -4.316 -2.730) 6.067 7.113 ( 7.762 1.508 -6.446) 10.202 7.484 ( 0.885 8.317 5.523) 10.023 7.634 ( -2.807 2.695 6.860) 7.887 8.033 ( -3.602 -1.644 4.710) 6.153 8.943 ( 2.154 1.567 1.568) 3.091 9.859 ( -0.075 1.205 -1.976) 2.315 10.246 ( 5.486 -1.871 -10.137) 11.678 11.482 ( -1.421 2.186 3.935) 4.721 11.626 ( 1.262 -0.667 -0.970) 1.725 11.948 ( 1.501 -0.877 1.858) 2.544 12.331 ( 1.006 -4.052 11.272) 12.021 12.565 ( -5.815 4.466 -1.044) 7.406 16.254 ( 0.298 0.527 -2.305) 2.383 17.227 ( 2.491 1.414 7.061) 7.620 17.705 ( -6.954 -3.636 14.354) 16.359 19.028 ( 5.200 1.373 -21.764) 22.418 ======================= Grid point 274 (145/226) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.378 -10.754 11.411) 15.684 1.950 ( -2.774 5.240 -0.941) 6.003 2.222 ( 3.575 -3.603 3.795) 6.338 2.894 ( -6.110 5.168 9.227) 12.214 3.018 ( -14.786 -9.535 6.667) 18.815 3.648 ( -4.054 -0.491 -10.272) 11.054 4.062 ( -0.482 0.790 12.063) 12.099 4.244 ( 3.472 -5.133 -4.103) 7.432 4.759 ( -10.181 10.010 -5.957) 15.470 5.158 ( -1.964 -4.734 -2.962) 5.920 5.445 ( 7.963 -3.978 1.714) 9.065 5.880 ( 2.080 0.220 -6.095) 6.444 6.318 ( -1.773 -6.123 -3.262) 7.161 6.860 ( 1.594 -2.308 -3.690) 4.635 7.226 ( 6.979 3.387 -3.928) 8.695 7.579 ( -3.184 10.733 2.138) 11.398 7.631 ( -2.406 -1.522 4.929) 5.692 7.998 ( -2.281 -1.981 3.787) 4.845 9.044 ( 5.146 3.660 0.403) 6.327 9.859 ( 0.432 0.454 -0.926) 1.118 10.224 ( 2.852 -2.750 -9.910) 10.673 11.489 ( -3.148 1.097 5.740) 6.638 11.640 ( 1.919 -0.916 -1.173) 2.428 11.974 ( 0.749 -0.363 2.282) 2.429 12.369 ( 0.230 -6.239 8.348) 10.425 12.480 ( -8.733 3.942 2.496) 9.901 16.241 ( -0.340 0.053 -2.033) 2.062 17.318 ( 0.910 1.026 7.444) 7.569 17.630 ( -7.357 -4.560 11.023) 14.015 19.036 ( 9.452 4.276 -20.154) 22.667 ======================= Grid point 275 (146/226) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -7.888 -10.087 7.110) 14.646 1.935 ( -6.329 3.148 1.744) 7.281 2.308 ( 3.932 -3.167 5.528) 7.486 2.621 ( -21.558 -8.879 -3.766) 23.617 2.929 ( -0.553 1.051 4.945) 5.086 3.615 ( 2.155 2.185 -2.387) 3.888 4.042 ( -7.863 -5.107 2.773) 9.777 4.142 ( -7.279 -5.884 18.588) 20.812 4.809 ( 6.897 9.949 -5.689) 13.376 5.059 ( -2.204 -2.794 -1.616) 3.908 5.547 ( 8.561 -4.005 -1.909) 9.642 5.942 ( 5.648 5.612 -2.943) 8.489 6.258 ( 1.830 -3.055 -1.290) 3.788 6.843 ( 1.683 -2.009 -4.015) 4.794 7.329 ( 4.223 2.334 -2.356) 5.369 7.571 ( -8.107 3.902 6.075) 10.856 7.666 ( 2.267 6.963 -3.557) 8.141 7.965 ( -0.497 -4.258 1.510) 4.545 9.148 ( 4.154 3.889 -4.347) 7.161 9.874 ( 1.820 -0.938 0.821) 2.206 10.160 ( 1.113 -3.820 -8.597) 9.473 11.496 ( -2.860 1.708 7.646) 8.341 11.642 ( -0.114 -0.600 -1.099) 1.257 11.993 ( 0.399 -0.524 1.393) 1.541 12.276 ( -5.334 -4.542 -4.494) 8.323 12.451 ( -6.442 0.814 15.421) 16.732 16.219 ( -0.731 -0.356 -1.373) 1.596 17.368 ( -1.643 0.693 6.497) 6.737 17.545 ( -5.335 -3.656 6.603) 9.242 19.130 ( 11.793 4.519 -16.269) 20.595 ======================= Grid point 280 (147/226) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 4.124 1.718 14.277) 14.960 1.656 ( -0.107 17.712 13.477) 22.257 2.393 ( -4.473 -8.319 13.325) 16.333 2.574 ( -1.046 1.463 11.253) 11.396 2.620 ( 3.783 3.550 11.039) 12.198 3.456 ( -0.739 12.665 21.387) 24.867 4.371 ( -0.203 -5.874 -13.402) 14.634 4.904 ( 8.672 -15.591 5.269) 18.602 5.183 ( -11.448 2.341 6.962) 13.601 5.657 ( -5.620 -6.324 -2.882) 8.938 5.960 ( 10.362 -4.788 -8.006) 13.943 6.122 ( -2.681 -11.789 0.945) 12.127 6.776 ( 4.033 -3.437 2.634) 5.918 6.999 ( -9.748 1.490 1.895) 10.042 7.111 ( 7.387 1.017 5.731) 9.404 7.400 ( -15.742 -5.332 -16.672) 23.541 7.523 ( 17.585 6.664 -0.410) 18.810 7.724 ( -2.264 6.935 -2.432) 7.690 9.511 ( 1.350 -17.171 7.175) 18.659 9.845 ( -1.943 0.977 -2.630) 3.413 9.910 ( -3.104 2.557 -2.856) 4.932 11.406 ( 8.676 4.184 -1.494) 9.748 11.519 ( -4.695 8.124 -2.792) 9.790 11.693 ( -0.916 4.738 -2.395) 5.387 12.092 ( -0.356 -4.681 5.296) 7.077 12.349 ( 1.173 11.135 5.001) 12.263 16.175 ( 0.002 0.060 0.737) 0.739 17.143 ( 2.403 4.027 -2.033) 5.111 17.245 ( -2.284 6.441 -0.717) 6.871 19.798 ( -0.711 -13.312 0.168) 13.332 ======================= Grid point 281 (148/226) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 13.681 7.927 6.175) 16.975 1.912 ( 2.589 12.717 3.272) 13.385 2.357 ( -0.209 -4.662 15.352) 16.045 2.601 ( -3.046 -1.620 7.135) 7.926 2.805 ( 3.950 4.886 15.624) 16.840 3.794 ( 4.752 13.036 24.704) 28.334 4.187 ( -5.008 -2.607 -12.778) 13.970 4.703 ( -19.430 -19.245 7.363) 28.322 5.080 ( -1.741 1.690 3.133) 3.962 5.473 ( -2.675 -12.719 -6.707) 14.626 5.938 ( 3.819 -19.979 -2.606) 20.507 6.156 ( 8.357 4.930 3.136) 10.197 6.787 ( -13.178 0.115 -1.617) 13.277 6.841 ( -3.666 -3.399 4.573) 6.775 7.020 ( -0.443 -7.646 -13.158) 15.225 7.256 ( 1.209 3.085 4.395) 5.504 7.724 ( -5.974 11.679 -2.713) 13.396 7.855 ( 15.075 4.236 -2.856) 15.917 9.356 ( -5.376 -16.473 6.438) 18.485 9.831 ( 3.002 -0.228 -3.233) 4.417 9.873 ( -0.811 1.173 -2.416) 2.805 11.496 ( -4.564 10.020 -3.874) 11.672 11.571 ( 4.901 2.631 0.465) 5.582 11.740 ( 2.381 4.512 -2.378) 5.629 12.108 ( 3.056 -3.603 4.800) 6.735 12.521 ( 1.017 14.000 3.670) 14.509 16.185 ( 0.794 0.071 0.377) 0.882 17.134 ( -4.845 6.251 -0.739) 7.943 17.395 ( 9.995 5.577 -0.425) 11.454 19.586 ( -6.546 -16.919 -0.779) 18.158 ======================= Grid point 282 (149/226) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 6.429 1.431 -1.032) 6.667 1.976 ( 2.118 0.883 -0.810) 2.433 2.525 ( 0.891 7.663 -0.245) 7.718 2.617 ( 1.821 1.536 23.803) 23.922 3.050 ( 4.586 6.887 17.703) 19.542 3.944 ( -7.143 -1.025 -8.047) 10.809 4.068 ( -11.888 -2.655 13.911) 18.490 4.347 ( 0.067 -6.592 5.737) 8.740 5.079 ( -4.508 -0.691 -1.674) 4.858 5.229 ( -4.234 -14.454 0.252) 15.064 5.815 ( 3.432 -14.885 -3.951) 15.778 6.283 ( -5.088 -0.288 -0.009) 5.096 6.498 ( -6.071 -0.927 -3.855) 7.251 6.791 ( 4.587 -7.816 -5.037) 10.368 7.036 ( 3.428 3.290 -0.606) 4.790 7.304 ( -0.402 1.080 4.840) 4.975 7.724 ( -6.113 12.871 -1.722) 14.352 8.044 ( 6.682 0.812 -0.036) 6.731 9.149 ( -6.942 -11.823 3.697) 14.200 9.863 ( -0.301 2.512 -1.895) 3.161 9.894 ( 8.422 -3.072 -4.453) 10.010 11.496 ( -3.456 9.236 -3.282) 10.393 11.643 ( 0.578 2.348 1.836) 3.036 11.798 ( 2.820 1.151 -1.003) 3.207 12.174 ( 4.261 -2.983 4.800) 7.078 12.673 ( -1.497 14.252 1.830) 14.447 16.205 ( 1.383 0.174 -0.431) 1.459 17.134 ( -2.776 6.520 2.106) 7.393 17.611 ( 9.222 4.260 2.723) 10.518 19.284 ( -7.596 -16.631 -5.673) 19.144 ======================= Grid point 283 (150/226) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -1.703 -9.201 1.322) 9.451 2.055 ( 3.024 2.819 -3.445) 5.381 2.479 ( -9.003 -1.440 8.060) 12.169 2.940 ( 5.793 13.294 14.456) 20.476 3.250 ( -2.128 2.150 14.979) 15.281 3.758 ( -1.008 -5.635 4.038) 7.006 3.917 ( -6.136 2.658 -3.670) 7.628 4.403 ( -1.668 -5.566 -1.895) 6.111 4.873 ( -0.428 -15.147 1.736) 15.253 5.184 ( -0.828 1.959 0.823) 2.280 5.676 ( -3.076 -10.335 -4.803) 11.804 6.054 ( -8.911 -5.134 -4.644) 11.284 6.481 ( -1.100 3.778 -4.998) 6.361 6.820 ( 9.082 -2.352 -6.888) 11.639 7.052 ( -2.804 -2.096 -0.796) 3.590 7.396 ( 2.987 3.808 10.609) 11.661 7.744 ( -4.028 9.299 1.089) 10.192 8.105 ( 0.585 -1.327 2.668) 3.036 8.981 ( -4.311 -6.588 1.020) 7.939 9.868 ( -0.479 2.701 -1.953) 3.368 9.977 ( 9.586 -4.046 -6.026) 12.024 11.513 ( -1.667 6.869 -1.771) 7.287 11.665 ( -2.291 2.981 1.452) 4.030 11.849 ( 3.697 -1.717 1.399) 4.309 12.247 ( 3.633 -2.844 5.911) 7.498 12.755 ( -4.733 11.888 0.591) 12.809 16.224 ( 1.391 0.204 -1.455) 2.024 17.194 ( -0.883 6.462 5.761) 8.702 17.795 ( 4.417 2.283 8.235) 9.619 18.974 ( -3.914 -13.516 -14.131) 19.943 ======================= Grid point 284 (151/226) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 1.313 -9.614 8.705) 13.036 2.062 ( -1.783 3.637 -4.935) 6.384 2.351 ( -10.477 -3.095 10.463) 15.127 3.143 ( -5.910 9.879 7.413) 13.692 3.261 ( -1.257 -8.040 15.974) 17.927 3.822 ( -2.055 -0.591 -6.341) 6.692 3.916 ( 8.318 6.162 5.020) 11.505 4.152 ( -9.370 -6.577 -10.002) 15.202 4.862 ( 10.751 -16.537 2.581) 19.893 5.171 ( -4.651 4.193 -1.969) 6.564 5.481 ( -5.591 -4.740 -5.197) 8.985 5.902 ( -3.402 -0.626 -3.910) 5.220 6.444 ( -3.793 3.933 -5.434) 7.706 6.869 ( 1.565 -2.621 -8.577) 9.104 6.986 ( 2.555 -1.020 1.201) 3.002 7.552 ( 2.562 1.605 9.751) 10.209 7.775 ( -3.271 6.414 3.349) 7.941 8.090 ( -2.397 -2.452 3.505) 4.903 8.919 ( 1.348 -1.513 -0.235) 2.040 9.869 ( -0.770 2.562 -2.160) 3.438 10.037 ( 7.942 -4.453 -7.056) 11.519 11.545 ( -0.003 3.597 0.235) 3.604 11.649 ( -3.645 2.839 0.886) 4.704 11.902 ( 3.671 -2.970 2.870) 5.526 12.319 ( 2.698 -2.704 7.365) 8.297 12.754 ( -7.443 8.354 0.940) 11.228 16.233 ( 0.907 0.203 -2.077) 2.275 17.293 ( -0.239 5.270 8.749) 10.216 17.884 ( -4.324 -0.474 13.220) 13.917 18.751 ( 5.324 -7.351 -22.779) 24.521 ======================= Grid point 285 (152/226) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 3.893 -7.383 12.228) 14.805 2.054 ( -0.300 7.532 -0.173) 7.540 2.240 ( -7.516 -3.253 8.525) 11.822 3.094 ( -8.921 0.873 4.183) 9.891 3.217 ( -9.832 -9.816 13.464) 19.347 3.638 ( -5.752 -2.133 -12.388) 13.823 4.009 ( 4.838 -4.218 -9.263) 11.269 4.158 ( 5.496 4.239 10.962) 12.974 4.840 ( 2.253 -12.608 -4.419) 13.548 5.111 ( -3.293 4.817 -1.506) 6.026 5.409 ( 1.981 1.098 -2.570) 3.425 5.839 ( -2.918 1.998 -3.526) 4.994 6.352 ( -6.947 2.124 -2.029) 7.542 6.791 ( 0.425 -2.356 -4.943) 5.492 7.097 ( 8.179 1.970 -2.420) 8.754 7.621 ( 0.227 -1.448 4.719) 4.941 7.801 ( -4.057 6.131 4.338) 8.536 8.037 ( -3.081 -3.604 2.976) 5.598 8.977 ( 5.498 1.397 -1.835) 5.962 9.864 ( -0.790 2.306 -2.125) 3.234 10.056 ( 5.274 -4.545 -6.745) 9.693 11.579 ( 0.272 0.569 2.685) 2.758 11.624 ( -2.701 2.351 0.803) 3.669 11.947 ( 2.866 -3.204 2.823) 5.143 12.367 ( -0.020 -2.491 5.632) 6.159 12.700 ( -8.282 4.662 5.298) 10.881 16.230 ( 0.231 0.250 -2.010) 2.039 17.387 ( -0.789 2.280 10.063) 10.348 17.820 ( -10.239 -2.356 9.436) 14.122 18.720 ( 13.247 -0.239 -22.324) 25.960 ======================= Grid point 286 (153/226) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -3.403 -4.450 5.573) 7.902 2.143 ( -9.058 1.893 7.010) 11.609 2.241 ( 7.128 4.517 8.656) 12.089 2.858 ( -18.363 -9.521 -2.187) 20.800 3.019 ( -7.920 -3.592 4.718) 9.894 3.567 ( 2.968 0.882 -0.878) 3.219 3.990 ( 4.545 -9.411 -5.028) 11.597 4.286 ( -1.390 -2.388 14.075) 14.343 4.709 ( 0.853 -5.784 -7.315) 9.365 5.135 ( -2.444 6.363 0.944) 6.881 5.465 ( 2.177 3.502 -1.071) 4.260 5.843 ( 5.643 4.616 -3.512) 8.092 6.271 ( -4.705 2.283 0.861) 5.301 6.771 ( 2.186 -0.478 -5.004) 5.482 7.222 ( 7.066 1.869 -3.999) 8.332 7.614 ( -0.551 -3.893 1.982) 4.403 7.825 ( -3.997 8.464 3.373) 9.950 7.964 ( -3.008 -5.241 2.808) 6.663 9.062 ( 5.531 1.739 -6.072) 8.396 9.864 ( -0.141 1.962 -1.378) 2.402 10.035 ( 2.518 -4.264 -5.514) 7.411 11.596 ( -0.973 -0.599 5.002) 5.131 11.626 ( -0.263 1.276 1.115) 1.715 11.971 ( 1.879 -3.039 1.504) 3.877 12.318 ( -5.534 -1.720 -1.203) 5.918 12.671 ( -6.396 0.967 13.857) 15.293 16.219 ( -0.427 0.336 -1.489) 1.585 17.437 ( -1.729 -1.531 9.522) 9.798 17.676 ( -8.689 -2.029 2.085) 9.163 18.841 ( 14.324 4.619 -16.544) 22.366 ======================= Grid point 291 (154/226) ======================= q-point: ( 0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -10.248 3.099 10.578) 15.051 1.911 ( -3.205 12.634 7.020) 14.804 2.486 ( -2.766 -4.684 12.511) 13.642 2.602 ( 4.157 1.411 1.249) 4.564 2.713 ( -2.432 1.957 18.177) 18.444 3.788 ( -2.070 9.383 20.771) 22.886 4.243 ( 0.575 4.032 -8.461) 9.390 4.579 ( 15.751 -16.712 6.221) 23.792 5.298 ( 5.316 4.796 4.575) 8.497 5.664 ( 8.308 -5.562 -11.558) 15.282 5.780 ( -17.789 -16.752 -2.319) 24.545 6.063 ( -2.322 -10.034 5.638) 11.741 6.608 ( 14.852 -2.399 -1.042) 15.081 7.032 ( 2.270 -2.329 -1.553) 3.604 7.074 ( -1.654 -3.195 -0.796) 3.685 7.341 ( 3.259 4.658 1.267) 5.825 7.446 ( -0.735 1.441 -9.119) 9.262 7.931 ( -8.280 8.158 1.981) 11.791 9.342 ( 4.752 -14.836 4.762) 16.290 9.857 ( -0.275 0.944 -2.820) 2.987 9.981 ( -4.905 3.470 -4.728) 7.645 11.328 ( 4.395 3.849 0.117) 5.843 11.611 ( -1.117 3.849 -0.546) 4.045 11.782 ( -3.998 7.075 -3.601) 8.889 12.127 ( -3.935 -3.554 6.491) 8.381 12.458 ( 1.924 10.573 3.737) 11.378 16.185 ( -0.761 0.027 0.290) 0.815 17.094 ( 4.209 4.085 -0.740) 5.912 17.428 ( -8.979 7.030 0.072) 11.404 19.617 ( 5.305 -14.700 -1.852) 15.738 ======================= Grid point 292 (155/226) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 4.627 8.512 8.514) 12.898 2.024 ( -1.794 8.733 0.044) 8.916 2.446 ( -1.671 0.414 9.810) 9.960 2.709 ( -2.500 -1.912 15.168) 15.491 2.837 ( 5.447 1.901 12.409) 13.684 4.018 ( 3.442 5.363 10.018) 11.873 4.203 ( -6.331 11.427 -1.291) 13.127 4.667 ( 5.211 -16.857 5.061) 18.356 5.282 ( -15.733 -8.290 4.820) 18.425 5.389 ( -3.428 -6.297 -2.291) 7.527 5.628 ( 6.891 -17.687 -6.225) 19.977 6.058 ( 6.233 -0.598 2.852) 6.880 6.656 ( 4.562 -18.821 -8.646) 21.209 6.850 ( -4.468 -6.174 -8.515) 11.427 7.066 ( -3.440 3.807 3.556) 6.243 7.364 ( -3.683 7.815 -1.008) 8.698 7.630 ( 13.660 5.387 0.618) 14.697 7.933 ( -5.079 10.232 2.750) 11.749 9.256 ( 0.632 -17.698 4.873) 18.368 9.818 ( -2.657 0.041 -3.613) 4.485 9.903 ( -2.547 1.968 -2.513) 4.084 11.492 ( 7.411 5.207 -0.507) 9.072 11.620 ( -2.562 6.500 -2.646) 7.471 11.791 ( -1.532 8.426 -1.921) 8.777 12.091 ( -1.109 -3.225 5.972) 6.877 12.646 ( 2.969 14.359 2.259) 14.836 16.179 ( 0.063 -0.346 0.227) 0.419 17.227 ( 4.677 6.450 -0.558) 7.986 17.367 ( -4.385 7.726 -1.318) 8.981 19.472 ( -1.457 -20.601 -0.097) 20.652 ======================= Grid point 293 (156/226) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 5.690 4.122 1.759) 7.243 2.000 ( -3.258 2.644 -0.630) 4.243 2.596 ( 2.690 12.756 1.421) 13.113 2.769 ( -0.133 -2.922 25.282) 25.451 3.070 ( 9.862 1.779 12.846) 16.292 3.967 ( -5.791 0.773 -14.157) 15.315 4.341 ( -7.214 5.868 12.217) 15.353 4.387 ( -10.849 -15.311 4.894) 19.393 5.143 ( 0.255 -11.989 1.703) 12.112 5.215 ( -11.030 -0.292 3.893) 11.700 5.534 ( 7.649 -15.339 -5.596) 18.031 6.240 ( 10.986 1.093 1.243) 11.110 6.353 ( -2.468 -22.168 -13.818) 26.238 6.731 ( -3.582 -3.406 1.076) 5.059 7.117 ( -1.370 9.363 2.387) 9.759 7.378 ( -2.064 4.286 2.005) 5.162 7.812 ( 4.552 2.669 -5.769) 7.818 8.007 ( 0.658 8.336 4.846) 9.665 9.117 ( -1.835 -15.504 4.202) 16.168 9.768 ( 1.040 -0.960 -3.398) 3.680 9.892 ( -0.914 2.989 -1.460) 3.450 11.600 ( -0.975 5.680 -3.107) 6.547 11.635 ( 2.229 4.304 -1.168) 4.986 11.834 ( -2.208 7.138 -0.189) 7.474 12.121 ( 2.876 -2.269 5.791) 6.852 12.826 ( 0.761 14.892 -0.487) 14.919 16.183 ( 0.830 -0.423 -0.167) 0.946 17.286 ( -4.224 8.450 2.666) 9.816 17.489 ( 10.067 5.751 -1.829) 11.737 19.198 ( -6.422 -21.802 -1.322) 22.766 ======================= Grid point 294 (157/226) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -1.934 -6.271 -0.223) 6.567 2.048 ( 0.913 6.668 -0.180) 6.733 2.681 ( -6.136 5.695 8.473) 11.912 3.023 ( 8.002 5.308 18.140) 20.525 3.328 ( 6.678 3.238 7.123) 10.287 3.734 ( -5.610 -8.457 -4.295) 11.020 4.012 ( -9.074 -6.049 -5.211) 12.086 4.442 ( -4.367 1.205 5.837) 7.389 4.829 ( -11.820 -18.643 1.627) 22.134 5.242 ( -1.038 5.659 2.180) 6.152 5.493 ( 6.112 -11.736 -5.610) 14.372 6.051 ( -3.837 -11.742 -7.115) 14.255 6.409 ( 8.008 -1.323 -1.693) 8.291 6.691 ( 1.329 0.306 -1.278) 1.869 7.158 ( -5.992 6.721 0.342) 9.011 7.439 ( 2.568 2.447 7.471) 8.271 7.824 ( 0.951 1.620 -4.486) 4.863 8.111 ( 0.675 2.908 3.860) 4.880 8.973 ( -3.012 -10.117 1.776) 10.704 9.789 ( 5.297 -2.088 -2.669) 6.288 9.898 ( -0.863 3.273 -1.472) 3.691 11.592 ( -2.814 6.646 -4.625) 8.572 11.708 ( 2.866 0.670 1.350) 3.238 11.847 ( -3.065 4.714 0.751) 5.673 12.203 ( 4.017 -1.525 6.239) 7.576 12.929 ( -2.765 12.269 -2.439) 12.811 16.193 ( 1.210 -0.315 -0.830) 1.501 17.344 ( -2.734 9.040 7.032) 11.775 17.712 ( 11.836 4.462 -0.563) 12.661 18.851 ( -8.471 -20.012 -5.812) 22.495 ======================= Grid point 295 (158/226) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.056 -6.311 4.716) 7.878 2.098 ( -0.951 5.118 -1.206) 5.343 2.615 ( -13.387 0.220 10.977) 17.313 3.241 ( 2.884 -8.932 10.059) 13.758 3.335 ( -3.327 5.200 3.590) 7.142 3.798 ( 5.125 -0.031 -3.845) 6.407 3.848 ( 2.636 1.223 -2.743) 3.996 4.270 ( -14.891 -3.365 -2.476) 15.466 4.587 ( 3.006 -18.028 3.194) 18.554 5.267 ( -1.734 3.385 0.408) 3.825 5.404 ( -1.130 -7.554 -5.824) 9.605 5.924 ( -0.914 -1.060 -2.824) 3.152 6.471 ( 2.330 2.486 -3.120) 4.620 6.754 ( 5.219 2.895 -4.250) 7.327 7.064 ( -9.544 2.048 1.286) 9.846 7.562 ( 3.620 -0.695 6.782) 7.719 7.843 ( 1.869 0.091 0.587) 1.961 8.129 ( -2.155 -0.795 2.755) 3.587 8.876 ( -0.254 -4.364 -0.773) 4.439 9.849 ( 6.270 -2.519 -1.938) 7.029 9.901 ( -1.202 3.316 -1.947) 4.029 11.580 ( -1.590 4.665 -3.763) 6.201 11.748 ( -0.908 1.561 1.382) 2.274 11.846 ( -0.118 -0.108 1.721) 1.728 12.301 ( 3.583 -1.034 7.503) 8.379 12.937 ( -5.577 7.916 -2.254) 9.942 16.204 ( 1.166 -0.011 -1.309) 1.753 17.445 ( -2.544 7.263 11.148) 13.546 17.943 ( 9.198 5.284 3.120) 11.057 18.490 ( -5.382 -16.377 -14.115) 22.280 ======================= Grid point 296 (159/226) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 4.797 -4.215 9.345) 11.318 2.112 ( -1.351 4.645 -0.201) 4.842 2.451 ( -11.049 -3.765 9.270) 14.906 3.211 ( -2.405 -3.059 4.582) 6.011 3.316 ( -6.426 -9.134 6.923) 13.140 3.639 ( -6.486 -1.107 -10.827) 12.670 3.930 ( -3.808 -0.586 -9.727) 10.462 4.165 ( 5.457 3.526 9.137) 11.211 4.561 ( 9.188 -15.223 0.459) 17.787 5.267 ( -7.427 5.814 -2.166) 9.678 5.288 ( 4.750 -3.549 -3.735) 7.008 5.918 ( -1.534 4.883 -1.791) 5.422 6.499 ( -3.230 6.765 -1.334) 7.614 6.773 ( -3.584 2.804 -6.127) 7.632 7.003 ( 2.168 -0.435 3.352) 4.015 7.613 ( 1.380 -3.857 3.049) 5.106 7.877 ( 1.284 -1.071 2.527) 3.030 8.077 ( -3.546 -3.037 2.015) 5.085 8.877 ( 4.280 -0.781 -3.021) 5.296 9.896 ( -1.252 3.159 -2.438) 4.182 9.910 ( 4.599 -1.658 -1.009) 4.992 11.580 ( -0.118 2.119 -1.569) 2.640 11.727 ( -4.183 2.736 0.667) 5.042 11.870 ( 3.441 -4.239 2.474) 5.994 12.386 ( 1.308 -1.068 6.717) 6.926 12.884 ( -6.314 3.327 1.500) 7.293 16.213 ( 0.767 0.468 -1.339) 1.612 17.526 ( -3.652 2.232 13.153) 13.832 18.019 ( -10.974 -3.046 3.747) 11.989 18.328 ( 16.142 -0.107 -18.944) 24.889 ======================= Grid point 297 (160/226) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.730 -1.966 5.543) 5.927 2.175 ( 2.548 0.619 4.817) 5.485 2.359 ( -1.218 -2.167 6.824) 7.263 3.027 ( -14.423 -7.469 -3.436) 16.601 3.155 ( -9.988 -2.411 4.963) 11.411 3.540 ( 1.356 -3.307 5.008) 6.153 3.814 ( -0.006 -1.910 -9.841) 10.025 4.325 ( 2.888 -2.420 7.736) 8.605 4.551 ( 5.358 -9.037 -3.427) 11.050 5.246 ( -1.843 8.134 0.032) 8.340 5.367 ( 8.293 0.703 -3.283) 8.947 5.912 ( -4.701 7.893 -1.604) 9.326 6.454 ( -9.975 7.706 2.493) 12.849 6.715 ( 0.173 1.872 -4.838) 5.190 7.107 ( 6.614 0.746 0.116) 6.657 7.584 ( -0.302 -6.312 0.518) 6.340 7.906 ( 1.561 -0.283 2.210) 2.721 7.996 ( -3.589 -4.039 2.298) 5.872 8.928 ( 5.643 -0.278 -6.257) 8.430 9.891 ( -1.068 3.609 -2.411) 4.470 9.950 ( 2.044 -0.490 -0.535) 2.169 11.591 ( 0.446 -0.479 1.271) 1.430 11.697 ( -2.678 2.238 1.287) 3.720 11.898 ( 3.379 -4.940 1.355) 6.137 12.384 ( -3.841 -1.459 0.854) 4.196 12.843 ( -4.352 -0.909 9.616) 10.594 16.219 ( 0.103 0.981 -1.035) 1.430 17.540 ( -4.475 -3.109 12.376) 13.522 17.770 ( -8.540 -6.597 -7.477) 13.128 18.571 ( 15.162 10.823 -9.442) 20.884 ======================= Grid point 302 (161/226) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -13.904 3.076 6.101) 15.492 2.061 ( -1.108 6.155 0.396) 6.266 2.530 ( 1.986 -2.427 -1.815) 3.624 2.575 ( 3.243 0.627 17.145) 17.460 2.950 ( -6.977 2.509 20.569) 21.865 3.835 ( 3.875 -1.787 2.374) 4.884 4.117 ( 18.598 -7.579 3.498) 20.385 4.506 ( -7.398 10.362 5.881) 14.025 5.202 ( 9.749 1.326 -3.026) 10.294 5.418 ( 8.014 -6.975 -3.991) 11.350 5.724 ( -3.586 -21.214 -6.733) 22.543 6.124 ( -1.418 -4.668 2.536) 5.498 6.377 ( 3.476 -2.401 2.044) 4.694 7.009 ( -7.548 -5.253 -7.494) 11.863 7.050 ( 3.422 4.143 0.940) 5.456 7.350 ( 1.840 0.547 -1.851) 2.667 7.455 ( 0.655 6.345 3.765) 7.407 8.092 ( -3.125 2.872 1.894) 4.647 9.152 ( 6.136 -11.160 2.526) 12.984 9.842 ( 0.300 1.097 -3.329) 3.517 10.064 ( -5.665 3.407 -6.514) 9.281 11.336 ( -0.118 3.566 1.539) 3.886 11.641 ( 0.391 2.591 -0.305) 2.638 11.874 ( -2.504 5.052 -2.363) 6.114 12.226 ( -5.170 -2.941 8.315) 10.223 12.535 ( 2.494 9.244 2.115) 9.806 16.202 ( -1.348 0.007 -0.556) 1.458 17.094 ( 1.174 4.670 1.692) 5.104 17.633 ( -7.353 4.534 3.898) 9.477 19.344 ( 7.663 -13.003 -7.426) 16.821 ======================= Grid point 303 (162/226) ======================= q-point: ( 0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -5.477 9.383 7.474) 13.187 2.107 ( -0.701 4.075 -0.969) 4.247 2.518 ( 0.448 1.661 3.207) 3.639 2.781 ( 5.304 -0.922 18.066) 18.851 2.950 ( -7.594 0.145 13.331) 15.343 3.950 ( 6.628 1.769 -1.334) 6.989 4.363 ( 16.588 -9.177 3.000) 19.193 4.511 ( -7.591 10.927 5.486) 14.391 5.271 ( 0.477 -21.389 -2.652) 21.558 5.353 ( -1.848 -12.945 -5.791) 14.302 5.438 ( 0.778 -0.562 -1.565) 1.836 6.074 ( -4.199 0.052 5.198) 6.682 6.322 ( 2.454 -19.629 -6.884) 20.945 6.832 ( -2.409 0.264 -7.731) 8.102 7.150 ( 1.104 4.065 5.166) 6.666 7.397 ( 0.621 0.464 0.178) 0.795 7.583 ( 4.770 9.207 1.957) 10.552 8.095 ( -3.016 5.140 2.556) 6.484 9.104 ( 1.806 -14.877 2.469) 15.188 9.830 ( -1.024 0.499 -3.274) 3.467 9.954 ( -4.298 1.402 -4.010) 6.043 11.441 ( 4.810 6.180 0.002) 7.832 11.676 ( 0.040 4.285 -1.099) 4.424 11.879 ( -1.230 7.392 -2.550) 7.916 12.166 ( -5.009 -2.123 7.499) 9.265 12.725 ( 4.606 13.353 1.149) 14.172 16.180 ( -0.662 -0.472 -0.224) 0.843 17.205 ( 3.990 6.890 1.736) 8.148 17.556 ( -8.885 6.315 -0.071) 10.901 19.247 ( 3.861 -20.172 -3.200) 20.786 ======================= Grid point 304 (163/226) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.984 6.133 2.404) 6.661 2.098 ( -2.896 5.186 0.903) 6.008 2.670 ( 6.265 12.252 2.609) 14.006 2.896 ( -2.622 -6.355 20.301) 21.433 3.004 ( 6.282 -1.130 11.502) 13.154 3.973 ( -2.779 4.043 -11.386) 12.398 4.374 ( -4.549 -19.196 0.111) 19.728 4.555 ( -2.802 6.652 3.573) 8.054 5.021 ( 1.888 -11.457 1.121) 11.665 5.226 ( 2.425 -15.691 -2.640) 16.096 5.440 ( -4.709 -0.585 3.924) 6.158 6.024 ( 0.571 -11.757 -5.296) 12.908 6.165 ( 4.147 -5.284 -1.405) 6.862 6.772 ( -2.616 -1.071 -0.683) 2.908 7.234 ( -1.219 6.282 6.189) 8.902 7.396 ( 2.303 -0.236 -4.576) 5.128 7.747 ( 3.176 5.495 0.455) 6.363 8.120 ( -1.724 5.285 2.249) 5.997 9.000 ( 0.944 -14.566 3.108) 14.923 9.769 ( -2.908 0.019 -2.505) 3.838 9.922 ( -0.721 2.640 -1.702) 3.223 11.563 ( 4.547 3.789 -1.776) 6.179 11.695 ( -1.639 5.725 -3.533) 6.924 11.937 ( -0.459 8.358 -0.926) 8.421 12.138 ( -2.079 -1.739 7.840) 8.296 12.917 ( 3.168 13.834 -2.735) 14.454 16.170 ( 0.109 -0.615 -0.043) 0.626 17.364 ( 5.733 6.244 2.623) 8.873 17.497 ( -5.245 7.684 -0.435) 9.313 19.048 ( -1.532 -22.325 -1.763) 22.447 ======================= Grid point 305 (164/226) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -3.801 -2.279 -0.517) 4.462 2.153 ( -2.623 10.232 1.697) 10.698 2.890 ( -1.651 13.369 6.322) 14.880 3.008 ( 9.529 -4.628 14.811) 18.210 3.200 ( 11.218 -2.863 8.338) 14.268 3.765 ( -12.158 -7.243 -9.709) 17.162 4.043 ( -8.418 -9.323 -5.862) 13.862 4.544 ( -3.608 -1.739 0.066) 4.006 4.878 ( -9.811 -16.881 3.266) 19.797 5.232 ( 10.059 -5.401 -3.112) 11.834 5.363 ( -5.568 3.021 3.554) 7.264 5.893 ( 2.877 -11.199 -3.938) 12.215 6.266 ( 7.607 0.865 0.678) 7.686 6.721 ( -3.004 -0.115 2.823) 4.124 7.295 ( -2.306 5.923 0.538) 6.379 7.429 ( 4.666 -1.260 0.120) 4.835 7.775 ( -0.932 1.337 -2.823) 3.260 8.164 ( -0.170 2.462 2.401) 3.443 8.910 ( 0.182 -10.888 2.794) 11.242 9.736 ( -0.110 0.946 -0.550) 1.100 9.931 ( -0.488 2.850 -1.116) 3.100 11.633 ( 2.211 1.902 -2.053) 3.567 11.689 ( -1.636 5.384 -4.659) 7.305 11.974 ( -3.592 6.760 -0.152) 7.657 12.181 ( 2.383 -1.549 8.200) 8.679 13.032 ( -0.000 11.126 -6.409) 12.839 16.171 ( 0.674 -0.460 -0.142) 0.828 17.524 ( 0.328 6.018 9.749) 11.462 17.554 ( 6.766 7.279 -4.208) 10.793 18.761 ( -6.466 -20.594 -3.078) 21.804 ======================= Grid point 306 (165/226) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -2.158 -2.796 2.287) 4.208 2.192 ( -3.643 7.187 1.139) 8.138 2.905 ( -13.618 1.424 5.023) 14.585 3.167 ( 4.399 -8.234 7.659) 12.075 3.351 ( 6.322 -1.412 -2.489) 6.940 3.595 ( 9.331 -6.522 6.048) 12.891 3.864 ( -5.323 2.745 -9.289) 11.052 4.425 ( -6.051 -3.150 -2.561) 7.287 4.529 ( -13.319 -14.853 1.464) 20.004 5.215 ( 0.979 -6.896 -2.632) 7.446 5.426 ( -0.056 6.138 2.754) 6.727 5.862 ( 3.573 -3.029 -1.403) 4.890 6.400 ( 6.614 1.985 0.604) 6.932 6.726 ( 0.157 2.627 2.059) 3.341 7.262 ( -7.504 5.083 -1.637) 9.210 7.492 ( 5.600 -4.428 -1.040) 7.215 7.773 ( 2.319 -2.123 1.422) 3.450 8.167 ( -1.667 -1.477 1.190) 2.525 8.839 ( -0.685 -5.501 1.009) 5.634 9.774 ( 2.531 1.644 1.660) 3.444 9.939 ( -0.951 2.978 -1.317) 3.392 11.631 ( -2.376 4.709 -5.306) 7.481 11.705 ( 2.738 -0.926 -0.300) 2.906 11.948 ( -5.533 4.298 -0.523) 7.026 12.281 ( 4.098 -1.277 8.512) 9.533 13.041 ( -2.830 6.237 -7.360) 10.054 16.180 ( 0.983 0.004 -0.292) 1.026 17.639 ( -1.972 3.534 14.082) 14.652 17.759 ( 13.389 7.710 -6.481) 16.755 18.425 ( -9.762 -15.517 -4.940) 18.986 ======================= Grid point 307 (166/226) ======================= q-point: (-0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 2.545 -1.610 6.302) 6.984 2.194 ( -3.309 3.878 1.289) 5.258 2.595 ( -13.387 -11.945 -1.835) 18.035 3.221 ( 2.875 -8.765 10.545) 14.010 3.351 ( -2.770 1.254 -6.482) 7.160 3.692 ( -4.214 -0.847 -0.412) 4.318 3.842 ( 6.717 0.315 -3.786) 7.717 4.230 ( -7.178 -0.640 -0.885) 7.260 4.353 ( 1.666 -9.125 1.789) 9.447 5.166 ( 1.769 -3.340 -1.966) 4.261 5.442 ( -5.878 6.020 0.836) 8.455 5.923 ( 4.202 2.565 -0.606) 4.960 6.531 ( 4.217 5.391 1.437) 6.994 6.790 ( 2.299 4.436 -1.202) 5.140 7.141 ( -11.330 3.772 1.404) 12.024 7.515 ( 5.719 -7.375 -2.836) 9.755 7.801 ( 3.411 -5.838 2.248) 7.125 8.106 ( -2.867 -3.950 0.298) 4.890 8.810 ( 0.899 -1.162 -0.757) 1.653 9.857 ( 2.796 2.180 3.425) 4.929 9.939 ( -1.264 3.656 -2.289) 4.494 11.603 ( -1.509 3.389 -3.853) 5.349 11.740 ( 3.145 -2.529 0.609) 4.082 11.876 ( -5.417 1.075 -0.653) 5.561 12.385 ( 3.048 -1.748 7.292) 8.094 12.978 ( -3.570 1.121 -4.371) 5.754 16.198 ( 1.001 0.699 -0.323) 1.263 17.700 ( -3.673 -2.126 15.122) 15.707 17.942 ( 6.464 -7.605 -16.167) 19.000 18.195 ( -1.561 8.833 1.750) 9.139 ======================= Grid point 308 (167/226) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 4.654 -0.241 7.058) 8.457 2.180 ( -0.040 -1.127 -1.244) 1.679 2.316 ( -4.942 -12.696 1.674) 13.726 3.045 ( -6.660 -12.939 -9.162) 17.197 3.433 ( 3.173 7.475 11.775) 14.304 3.534 ( -13.439 -1.795 3.158) 13.921 3.820 ( -4.051 1.975 -6.540) 7.943 4.268 ( 4.537 -1.269 0.737) 4.769 4.342 ( 7.654 -7.778 -0.163) 10.913 5.214 ( 5.886 4.267 -2.512) 7.691 5.396 ( -5.305 3.535 0.985) 6.451 6.004 ( 0.630 5.649 -0.873) 5.751 6.650 ( 0.587 8.397 2.147) 8.687 6.800 ( -7.376 7.123 -4.560) 11.222 7.059 ( -1.130 -0.180 5.797) 5.909 7.489 ( 3.063 -9.335 -3.445) 10.411 7.816 ( 5.164 -6.548 0.665) 8.366 8.018 ( -2.900 -4.581 0.707) 5.468 8.826 ( 2.459 0.276 -2.538) 3.545 9.917 ( -0.527 0.921 1.933) 2.205 9.961 ( 0.551 6.715 -1.902) 7.001 11.598 ( -0.152 1.100 -0.051) 1.111 11.757 ( -0.673 0.759 -0.725) 1.247 11.808 ( 0.289 -4.593 0.596) 4.641 12.415 ( -1.270 -2.871 1.725) 3.582 12.916 ( -1.600 -3.215 3.227) 4.828 16.220 ( 0.647 1.405 -0.295) 1.575 17.675 ( -7.171 -8.296 9.743) 14.668 17.706 ( -2.534 -9.504 -9.787) 13.876 18.468 ( 10.199 19.321 -1.912) 21.931 ======================= Grid point 313 (168/226) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -3.601 4.584 7.909) 9.825 2.078 ( 1.136 1.611 -5.107) 5.475 2.414 ( 6.879 -5.644 1.843) 9.087 2.668 ( -2.131 -3.121 15.713) 16.161 3.234 ( -5.327 4.288 20.841) 21.934 3.798 ( 0.523 -0.131 -2.559) 2.616 3.849 ( 7.226 -1.893 3.512) 8.254 4.568 ( 9.743 -1.128 -8.234) 12.806 5.107 ( -1.039 0.349 0.920) 1.431 5.193 ( 7.358 -10.211 -3.288) 13.008 5.522 ( 2.832 -8.852 -3.382) 9.890 6.028 ( 2.921 -4.227 -3.881) 6.439 6.439 ( -4.192 3.492 -0.459) 5.475 7.010 ( -1.878 -0.227 -5.634) 5.943 7.137 ( -8.977 -1.234 1.733) 9.226 7.251 ( 10.123 3.898 -2.462) 11.124 7.569 ( -3.058 1.532 9.931) 10.503 8.124 ( 1.447 -1.206 2.898) 3.456 8.986 ( 4.490 -6.746 0.749) 8.138 9.830 ( -0.429 0.736 -2.899) 3.021 10.134 ( -5.338 2.547 -8.094) 10.025 11.404 ( -2.152 3.091 2.536) 4.541 11.649 ( 1.110 2.491 -0.575) 2.787 11.927 ( -1.289 1.969 -0.625) 2.435 12.338 ( -3.957 -3.082 10.474) 11.613 12.578 ( 3.436 8.200 0.264) 8.895 16.218 ( -1.410 -0.083 -1.463) 2.033 17.162 ( -0.837 5.289 4.432) 6.951 17.796 ( -3.250 1.378 9.832) 10.446 19.045 ( 5.455 -9.718 -15.532) 19.116 ======================= Grid point 314 (169/226) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -9.618 8.803 5.225) 14.046 2.101 ( 2.765 1.018 -3.491) 4.568 2.486 ( 5.683 -2.660 3.938) 7.408 2.805 ( 5.040 -2.195 18.157) 18.971 3.216 ( -13.092 2.094 11.245) 17.385 3.870 ( 6.359 3.813 0.818) 7.460 4.040 ( 14.891 -5.526 3.882) 16.351 4.601 ( 4.044 -1.149 -11.525) 12.267 5.011 ( 3.152 -24.421 -0.632) 24.631 5.197 ( 2.930 -2.668 -2.212) 4.539 5.438 ( -3.505 -0.474 -4.359) 5.613 6.010 ( 3.708 -6.303 -2.739) 7.809 6.336 ( -10.796 -3.141 3.733) 11.847 6.835 ( -4.774 -0.573 -7.776) 9.142 7.175 ( 2.757 5.321 1.302) 6.132 7.431 ( 3.371 2.252 5.790) 7.068 7.604 ( 0.413 4.335 4.023) 5.929 8.154 ( 0.754 0.148 2.401) 2.521 8.962 ( 1.884 -10.532 0.722) 10.724 9.821 ( 0.210 1.069 -2.594) 2.814 10.008 ( -5.001 0.649 -5.617) 7.549 11.451 ( 1.099 5.359 0.456) 5.490 11.696 ( 1.145 3.332 -0.049) 3.524 11.925 ( -0.036 3.572 -2.265) 4.230 12.291 ( -5.387 -1.677 8.134) 9.900 12.768 ( 5.433 12.132 0.659) 13.310 16.187 ( -1.072 -0.360 -0.765) 1.365 17.261 ( 1.105 7.940 5.316) 9.619 17.757 ( -8.943 3.577 2.676) 9.997 18.935 ( 6.895 -17.628 -9.076) 20.992 ======================= Grid point 315 (170/226) ======================= q-point: ( 0.45 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -7.176 5.757 0.373) 9.208 2.151 ( 3.606 4.117 0.097) 5.474 2.644 ( 8.138 6.214 2.843) 10.626 2.975 ( 4.068 -6.024 19.961) 21.244 3.083 ( -9.435 0.350 7.168) 11.854 3.973 ( 0.737 4.020 -6.231) 7.452 4.179 ( 7.004 -14.243 -0.242) 15.874 4.544 ( 2.523 -4.249 -10.597) 11.692 4.858 ( 5.443 -14.572 0.961) 15.585 5.145 ( -5.185 -4.539 0.892) 6.949 5.402 ( 4.292 -3.411 -0.467) 5.502 5.943 ( -2.387 -11.068 -1.831) 11.470 6.180 ( -6.999 3.541 3.633) 8.644 6.770 ( 0.239 0.886 -4.486) 4.579 7.266 ( 4.115 0.427 -2.322) 4.744 7.432 ( -6.990 1.856 8.164) 10.907 7.751 ( 5.237 5.777 1.565) 7.952 8.178 ( -0.123 0.914 1.257) 1.559 8.880 ( 0.530 -10.914 1.681) 11.055 9.800 ( -1.985 0.162 -1.412) 2.442 9.942 ( -1.003 2.036 -2.913) 3.693 11.528 ( 2.812 4.714 -2.265) 5.938 11.731 ( -0.085 2.868 -1.440) 3.211 11.977 ( 2.386 5.710 -1.967) 6.493 12.249 ( -5.211 -0.446 7.893) 9.469 12.954 ( 4.144 12.014 -3.979) 13.317 16.168 ( -0.512 -0.409 -0.044) 0.657 17.403 ( 1.069 8.383 6.172) 10.465 17.657 ( -6.846 4.171 0.405) 8.027 18.802 ( 4.064 -20.123 -5.300) 21.203 ======================= Grid point 316 (171/226) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -6.848 0.810 -0.804) 6.942 2.284 ( 2.183 9.457 0.371) 9.713 2.813 ( 8.434 -2.201 -2.885) 9.182 3.087 ( -0.203 2.095 16.727) 16.859 3.119 ( 4.444 0.107 9.679) 10.651 3.808 ( -10.736 -12.432 -8.246) 18.379 4.018 ( -3.064 -6.332 -8.572) 11.089 4.504 ( 2.437 -2.618 -7.258) 8.091 4.848 ( -2.238 -14.605 6.427) 16.113 5.075 ( 4.529 0.434 -0.500) 4.577 5.449 ( 1.198 -2.124 2.419) 3.435 5.781 ( -2.427 -6.602 0.842) 7.084 6.206 ( 2.192 3.423 1.298) 4.267 6.773 ( 0.309 1.005 1.017) 1.463 7.258 ( 3.037 -5.557 -6.464) 9.049 7.435 ( -3.606 4.139 7.314) 9.144 7.826 ( -1.444 3.121 -1.185) 3.637 8.187 ( -0.033 0.178 0.489) 0.521 8.822 ( 1.416 -8.009 3.434) 8.828 9.768 ( -1.597 1.401 0.464) 2.174 9.949 ( 0.339 2.235 -1.132) 2.528 11.592 ( 2.653 2.819 -2.627) 4.678 11.732 ( -1.071 4.017 -4.751) 6.313 12.050 ( 0.781 4.778 -1.473) 5.061 12.228 ( -2.740 -1.036 8.651) 9.134 13.058 ( 1.587 9.284 -9.619) 13.463 16.162 ( 0.038 -0.250 0.435) 0.503 17.487 ( 0.334 5.028 -1.795) 5.349 17.695 ( 0.145 6.316 11.754) 13.344 18.611 ( -0.818 -17.895 -5.643) 18.782 ======================= Grid point 317 (172/226) ======================= q-point: (-0.36 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -5.017 0.481 0.824) 5.107 2.341 ( -4.591 6.262 0.393) 7.775 2.919 ( 14.597 -6.463 -11.039) 19.409 3.140 ( -11.483 -5.285 5.348) 13.726 3.198 ( 3.991 -7.407 6.143) 10.417 3.545 ( -0.851 -3.399 6.698) 7.559 3.910 ( -2.028 4.345 -7.646) 9.025 4.448 ( -2.439 1.143 -7.182) 7.671 4.607 ( -11.266 -15.196 2.961) 19.147 5.150 ( 1.426 -2.124 0.012) 2.559 5.473 ( 2.596 2.453 3.930) 5.310 5.772 ( 3.113 -2.395 1.001) 4.053 6.319 ( 6.861 2.419 2.439) 7.673 6.806 ( -1.635 3.420 4.873) 6.174 7.222 ( 6.208 -7.465 -7.208) 12.092 7.433 ( -3.886 1.725 0.065) 4.252 7.793 ( -2.857 0.292 0.742) 2.966 8.172 ( -1.031 -2.266 -0.383) 2.519 8.810 ( 0.469 -3.692 3.576) 5.162 9.794 ( 0.776 3.306 2.552) 4.248 9.967 ( -0.203 2.086 -0.176) 2.103 11.629 ( 1.639 0.749 -1.889) 2.611 11.705 ( -2.174 3.979 -6.226) 7.702 12.052 ( -3.446 3.009 -2.130) 5.046 12.270 ( 2.085 -2.126 9.200) 9.670 13.051 ( -0.830 4.303 -12.547) 13.291 16.170 ( 0.520 0.152 0.656) 0.851 17.547 ( 6.141 2.030 -5.490) 8.484 17.858 ( -0.591 3.925 18.643) 19.061 18.383 ( -4.269 -9.452 -7.592) 12.853 ======================= Grid point 318 (173/226) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -1.136 1.023 3.477) 3.798 2.288 ( -4.588 -0.332 -0.882) 4.684 2.700 ( -16.581 -9.657 -6.817) 20.363 3.045 ( 8.014 -10.575 -7.943) 15.464 3.265 ( 7.094 -10.633 6.629) 14.399 3.642 ( 6.434 1.768 1.277) 6.794 3.928 ( -5.248 11.487 3.769) 13.179 4.299 ( -9.385 -11.099 1.359) 14.598 4.361 ( -5.508 4.119 -8.468) 10.909 5.136 ( 0.268 -1.015 1.787) 2.073 5.564 ( -1.566 4.259 1.292) 4.719 5.839 ( 7.008 0.053 1.888) 7.258 6.497 ( 8.073 3.039 4.724) 9.835 6.843 ( -2.593 5.657 3.714) 7.247 7.222 ( 8.947 -9.428 -6.700) 14.623 7.353 ( -5.859 2.015 -3.552) 7.142 7.752 ( -1.466 -4.595 2.347) 5.364 8.108 ( -2.413 -3.785 -1.163) 4.637 8.811 ( -0.752 0.024 2.697) 2.800 9.883 ( 2.358 5.079 3.580) 6.646 9.975 ( -1.187 2.034 0.088) 2.357 11.626 ( -1.046 1.979 -4.625) 5.138 11.678 ( 1.021 -0.932 -1.370) 1.946 11.976 ( -5.977 1.176 -2.507) 6.587 12.357 ( 3.563 -3.039 7.542) 8.878 12.964 ( -1.211 -1.007 -10.744) 10.859 16.191 ( 0.897 0.753 0.655) 1.342 17.613 ( 6.643 -3.265 -8.601) 11.347 17.904 ( -5.525 -10.888 14.192) 18.722 18.312 ( 0.005 14.116 -1.422) 14.187 ======================= Grid point 319 (174/226) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 3.545 0.867 5.561) 6.652 2.145 ( -6.496 -8.477 -6.798) 12.659 2.391 ( -9.285 -4.395 5.755) 11.774 2.912 ( -1.156 -11.198 -15.087) 18.824 3.303 ( 6.905 -13.177 4.441) 15.525 3.770 ( 5.921 -0.845 0.112) 5.982 3.954 ( -11.327 16.018 7.580) 21.031 4.175 ( 2.872 -2.819 -0.853) 4.113 4.251 ( -4.401 0.749 -6.693) 8.045 5.192 ( 2.910 4.787 2.006) 5.951 5.513 ( -6.049 0.956 -0.823) 6.179 5.997 ( 5.752 3.696 1.887) 7.093 6.680 ( 6.435 2.870 5.027) 8.655 6.881 ( -1.361 6.167 -0.013) 6.316 7.223 ( 0.028 -3.541 -1.326) 3.781 7.250 ( -0.328 -3.466 -5.599) 6.593 7.700 ( 1.116 -7.195 2.056) 7.565 8.021 ( -2.531 -3.713 -0.998) 4.603 8.823 ( -0.852 1.839 1.833) 2.732 9.968 ( -2.143 1.397 1.893) 3.182 9.997 ( 2.220 7.426 -0.183) 7.753 11.603 ( 0.126 1.042 -2.460) 2.675 11.687 ( 2.814 -4.346 0.791) 5.238 11.864 ( -6.074 0.671 -2.267) 6.518 12.397 ( 0.700 -4.335 2.136) 4.883 12.879 ( 1.060 -5.059 -3.547) 6.269 16.220 ( 0.990 1.352 0.390) 1.720 17.533 ( -0.267 -8.613 -12.607) 15.271 17.790 ( -4.870 -11.015 13.658) 18.209 18.544 ( 4.700 21.975 0.461) 22.476 ======================= Grid point 324 (175/226) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 4.547 -2.450 -5.815) 7.778 2.128 ( 5.763 8.652 14.511) 17.850 2.287 ( 3.069 -5.102 3.886) 7.110 2.771 ( -4.511 -7.793 11.531) 14.631 3.388 ( 7.248 2.488 14.476) 16.379 3.786 ( 2.246 -4.478 1.696) 5.289 3.894 ( -10.470 5.814 -4.007) 12.629 4.265 ( 9.675 -1.654 -9.496) 13.658 4.836 ( 6.420 -24.397 -5.480) 25.816 5.199 ( -1.102 2.344 -1.657) 3.074 5.487 ( 0.156 5.736 1.442) 5.916 5.924 ( 2.886 -0.854 -5.215) 6.021 6.523 ( 0.061 9.210 -5.453) 10.704 6.992 ( 1.769 -3.369 0.018) 3.805 7.089 ( 6.159 5.062 -6.336) 10.184 7.291 ( -9.474 -5.847 3.917) 11.802 7.679 ( -0.373 0.621 8.583) 8.614 8.086 ( 2.799 -3.241 3.940) 5.819 8.914 ( -0.963 -2.129 -0.144) 2.341 9.833 ( -0.952 0.800 -1.326) 1.818 10.172 ( -3.943 1.531 -8.836) 9.797 11.479 ( -1.531 1.201 3.318) 3.846 11.649 ( 1.224 3.155 -1.150) 3.574 11.952 ( -1.220 -1.002 1.460) 2.150 12.428 ( -2.534 -5.031 10.455) 11.876 12.579 ( 5.855 8.032 0.386) 9.947 16.225 ( -1.023 -0.076 -1.916) 2.173 17.263 ( -1.148 4.160 6.031) 7.416 17.882 ( 3.918 -0.896 15.015) 15.544 18.813 ( -2.633 -4.668 -22.708) 23.332 ======================= Grid point 325 (176/226) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 6.261 -0.283 -8.665) 10.694 2.213 ( -7.838 4.364 1.709) 9.133 2.388 ( 6.368 -4.356 14.860) 16.743 2.815 ( 4.786 -3.935 16.152) 17.299 3.544 ( -11.618 4.902 9.205) 15.612 3.782 ( 5.189 3.858 -4.702) 7.995 3.848 ( 8.138 -5.418 1.836) 9.947 4.327 ( 9.139 -4.178 -11.488) 15.263 4.674 ( 6.442 -24.365 -3.209) 25.405 5.192 ( -0.741 0.406 -0.899) 1.233 5.487 ( -4.086 1.810 -1.354) 4.669 5.924 ( 0.878 -0.711 -3.303) 3.491 6.502 ( -7.399 5.092 -1.753) 9.151 6.864 ( -6.195 -3.420 -5.548) 8.992 7.207 ( -1.264 2.595 0.849) 3.009 7.327 ( 13.911 2.702 3.227) 14.534 7.718 ( -2.693 0.956 7.745) 8.255 8.122 ( 2.778 -3.061 2.818) 5.003 8.870 ( -0.118 -5.143 -0.425) 5.162 9.823 ( -0.780 1.389 -0.734) 1.754 10.049 ( -4.670 -0.060 -6.638) 8.116 11.498 ( -0.722 3.562 0.856) 3.734 11.704 ( 1.806 3.233 -0.070) 3.704 11.925 ( -0.310 -1.161 -0.570) 1.330 12.398 ( -3.100 -2.149 6.846) 7.817 12.785 ( 6.142 9.866 1.790) 11.759 16.197 ( -1.094 0.021 -1.078) 1.536 17.361 ( 1.424 6.503 7.904) 10.334 17.957 ( -7.061 3.121 8.021) 11.133 18.594 ( 4.469 -13.519 -17.364) 22.455 ======================= Grid point 326 (177/226) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 4.370 -1.566 -5.138) 6.925 2.126 ( -4.939 5.895 -4.107) 8.719 2.580 ( 9.075 0.213 10.574) 13.936 2.987 ( 4.611 -3.732 18.347) 19.283 3.324 ( -15.470 -0.792 2.374) 15.671 3.905 ( 4.676 -7.417 -3.438) 9.418 3.944 ( 7.763 -1.552 -3.873) 8.814 4.344 ( 6.665 -1.824 -9.774) 11.970 4.601 ( 9.563 -13.439 1.238) 16.541 5.183 ( 0.707 -3.406 2.909) 4.535 5.372 ( -6.877 -1.275 -4.047) 8.080 5.893 ( -1.190 -2.373 -0.767) 2.763 6.391 ( -10.346 3.765 2.231) 11.233 6.745 ( -1.501 -0.435 -4.548) 4.809 7.205 ( 0.243 -0.734 -3.762) 3.841 7.556 ( 4.736 1.717 5.562) 7.504 7.753 ( 0.453 4.026 6.085) 7.310 8.156 ( 2.547 -2.520 1.402) 3.847 8.810 ( -0.646 -5.755 0.849) 5.853 9.819 ( -0.939 0.543 0.173) 1.098 9.956 ( -2.056 1.117 -4.377) 4.963 11.530 ( 0.484 4.292 -1.739) 4.656 11.743 ( 0.040 0.815 0.477) 0.945 11.944 ( 3.849 1.852 -2.675) 5.040 12.375 ( -4.070 -0.533 6.533) 7.716 12.959 ( 4.353 8.976 -3.444) 10.554 16.178 ( -0.882 0.133 -0.079) 0.895 17.534 ( 2.418 7.986 12.359) 14.913 17.829 ( -12.459 3.252 -1.930) 13.020 18.477 ( 8.076 -16.353 -9.267) 20.458 ======================= Grid point 327 (178/226) ======================= q-point: (-0.45 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -6.495 -0.215 -0.618) 6.527 2.202 ( 9.973 5.576 -8.055) 13.980 2.721 ( 0.971 -2.800 -2.892) 4.140 3.088 ( 0.576 -8.324 13.943) 16.249 3.236 ( 1.166 4.867 10.794) 11.898 3.768 ( -5.098 -14.572 -1.028) 15.472 3.909 ( 0.943 -3.019 -14.058) 14.410 4.389 ( 4.363 3.487 -8.002) 9.758 4.733 ( 10.130 -7.125 7.329) 14.391 5.102 ( -7.668 -2.263 0.724) 8.027 5.342 ( 7.426 -2.327 0.907) 7.835 5.814 ( -5.071 -3.412 0.694) 6.152 6.293 ( -6.956 3.688 1.841) 8.086 6.736 ( 3.107 -0.439 -1.342) 3.413 7.151 ( 0.018 -3.037 -5.938) 6.670 7.601 ( -4.264 1.117 7.694) 8.868 7.844 ( 0.922 2.867 0.258) 3.023 8.169 ( 1.374 -2.209 -0.459) 2.642 8.779 ( 0.489 -3.007 4.058) 5.075 9.805 ( -1.236 0.439 1.036) 1.672 9.947 ( 1.007 1.921 -1.710) 2.762 11.571 ( 1.544 3.755 -2.716) 4.884 11.737 ( -0.332 0.694 -2.514) 2.629 12.023 ( 4.562 2.159 -2.343) 5.564 12.339 ( -4.710 -1.028 6.581) 8.158 13.036 ( 1.699 6.548 -10.415) 12.419 16.170 ( -0.512 0.215 0.784) 0.961 17.608 ( -9.922 5.961 -2.809) 11.911 17.793 ( 4.443 1.770 16.732) 17.402 18.385 ( 4.281 -12.025 -9.095) 15.673 ======================= Grid point 328 (179/226) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -6.454 1.533 0.197) 6.637 2.380 ( 8.253 4.663 -5.702) 11.062 2.571 ( 2.094 -10.430 -13.396) 17.106 3.120 ( 2.551 -12.055 13.201) 18.058 3.279 ( -9.626 -6.109 -1.195) 11.464 3.592 ( -3.183 -2.952 3.388) 5.507 3.884 ( 6.369 7.282 -5.009) 10.894 4.426 ( 1.527 6.867 -10.342) 12.508 4.695 ( -9.805 -12.216 8.104) 17.636 5.093 ( 4.683 0.129 1.674) 4.975 5.442 ( 4.253 -0.426 0.560) 4.311 5.739 ( -0.070 -1.703 2.524) 3.045 6.274 ( 1.179 0.465 1.849) 2.242 6.812 ( 6.103 -0.742 1.911) 6.438 7.086 ( -1.079 -1.267 -4.504) 4.802 7.554 ( -7.289 0.370 3.951) 8.299 7.827 ( -2.112 -0.170 -2.875) 3.572 8.153 ( 0.102 -2.800 -1.428) 3.145 8.817 ( 0.627 0.417 6.178) 6.224 9.820 ( 0.917 2.006 1.472) 2.652 9.982 ( 1.091 1.538 1.337) 2.312 11.606 ( 1.106 2.054 -1.962) 3.048 11.715 ( -0.564 1.835 -6.087) 6.382 12.074 ( 1.228 0.915 -2.586) 3.006 12.307 ( -2.205 -2.807 7.603) 8.399 12.997 ( -0.760 2.476 -15.520) 15.734 16.175 ( -0.056 0.325 1.314) 1.355 17.510 ( -2.864 2.975 -5.385) 6.786 17.974 ( 1.713 -8.872 20.280) 22.202 18.309 ( 1.648 4.220 -7.883) 9.092 ======================= Grid point 329 (180/226) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -4.199 2.676 1.435) 5.182 2.290 ( -3.627 -9.459 -5.925) 11.737 2.637 ( 14.892 0.814 -15.926) 21.819 2.930 ( -16.991 -13.188 1.122) 21.538 3.111 ( 3.111 -13.471 7.359) 15.662 3.568 ( 2.235 0.051 -3.887) 4.484 4.104 ( 3.301 11.000 6.020) 12.967 4.400 ( -9.425 -4.115 -3.342) 10.813 4.439 ( -7.095 5.164 -5.089) 10.144 5.133 ( 0.682 -1.529 2.220) 2.781 5.562 ( 7.414 2.294 2.548) 8.168 5.772 ( 2.147 0.009 2.200) 3.074 6.377 ( 9.663 -3.032 4.380) 11.034 6.922 ( 7.375 -3.257 1.148) 8.143 7.031 ( -4.628 3.833 -0.763) 6.058 7.447 ( -6.341 1.079 -1.440) 6.591 7.757 ( -2.503 -3.445 -1.916) 4.669 8.099 ( -1.596 -3.090 -2.053) 4.039 8.869 ( -1.229 2.537 5.795) 6.444 9.890 ( 3.390 3.757 0.003) 5.061 10.024 ( -0.277 1.393 4.867) 5.070 11.614 ( 0.037 0.331 -2.275) 2.300 11.667 ( -1.503 0.741 -5.771) 6.010 12.041 ( -3.086 0.151 -3.114) 4.387 12.326 ( 1.809 -4.403 7.688) 9.042 12.870 ( -0.901 -2.160 -15.884) 16.056 16.192 ( 0.491 0.540 1.384) 1.565 17.479 ( 1.140 -0.251 -6.715) 6.816 17.914 ( -1.978 -15.326 6.286) 16.682 18.462 ( 1.909 16.970 6.806) 18.384 ======================= Grid point 330 (181/226) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -0.425 2.872 2.717) 3.976 2.124 ( -3.063 -7.982 -3.683) 9.309 2.566 ( -13.039 -11.260 4.357) 17.770 2.685 ( 3.904 -2.964 -16.726) 17.430 3.086 ( 5.599 -13.626 2.424) 14.930 3.627 ( 7.146 -0.919 -0.910) 7.263 4.133 ( -2.933 -7.663 1.112) 8.280 4.222 ( -6.315 5.405 -2.557) 8.696 4.414 ( -7.715 16.542 -5.025) 18.932 5.190 ( 4.244 1.678 3.467) 5.731 5.599 ( -4.464 0.886 -1.763) 4.881 5.923 ( 9.379 3.022 4.934) 11.020 6.530 ( 10.514 -9.596 3.899) 14.758 6.958 ( 2.701 -2.080 -3.623) 4.975 7.048 ( -1.274 7.104 4.427) 8.467 7.373 ( -3.830 3.378 -3.092) 5.970 7.665 ( -2.087 -5.268 0.554) 5.693 8.023 ( -2.581 -2.430 -2.296) 4.224 8.902 ( -2.579 3.587 4.935) 6.623 9.976 ( 2.965 4.233 -3.570) 6.281 10.068 ( -1.133 2.620 6.644) 7.231 11.578 ( -0.094 -0.259 -5.802) 5.808 11.630 ( 0.244 -3.534 1.492) 3.844 11.952 ( -5.313 0.827 -2.569) 5.959 12.349 ( 1.134 -5.517 3.003) 6.383 12.751 ( 2.471 -5.712 -9.441) 11.308 16.219 ( 0.949 0.776 0.938) 1.544 17.409 ( -1.088 -4.559 -8.197) 9.442 17.798 ( -1.000 -11.784 6.264) 13.383 18.714 ( 1.708 19.788 5.846) 20.704 ======================= Grid point 335 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -0.543 -2.752 -4.423) 5.237 2.124 ( 10.310 0.744 10.541) 14.763 2.332 ( 0.726 7.630 11.383) 13.722 2.817 ( -4.148 -11.119 8.637) 14.678 3.235 ( 16.778 -6.684 0.756) 18.076 3.606 ( 4.705 -2.319 -7.867) 9.455 4.126 ( -2.601 0.506 12.746) 13.019 4.240 ( -6.757 6.588 -5.351) 10.848 4.518 ( -1.354 -18.603 -5.108) 19.339 5.189 ( 1.679 0.843 -3.008) 3.546 5.564 ( 0.202 6.734 1.318) 6.865 5.859 ( 1.685 3.062 -5.501) 6.517 6.477 ( 10.750 7.195 -5.077) 13.896 6.909 ( 3.796 1.284 0.212) 4.013 7.108 ( -7.149 1.419 -5.945) 9.406 7.391 ( -7.095 -6.897 3.540) 10.509 7.695 ( 2.753 -1.356 4.143) 5.156 8.042 ( 1.947 -2.961 3.814) 5.206 8.959 ( -5.255 0.351 -2.142) 5.685 9.863 ( -1.000 2.421 1.197) 2.880 10.172 ( -2.049 0.703 -8.584) 8.853 11.515 ( 0.361 -0.971 4.899) 5.007 11.651 ( 0.722 2.055 -1.754) 2.797 11.975 ( -1.616 -2.095 2.967) 3.975 12.431 ( 1.407 -5.364 0.290) 5.553 12.571 ( 6.129 4.780 10.160) 12.792 16.225 ( -0.409 0.130 -1.789) 1.840 17.341 ( -0.479 0.377 6.244) 6.273 17.838 ( 10.267 -1.890 10.968) 15.142 18.772 ( -11.515 2.196 -20.156) 23.317 ======================= Grid point 336 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 3.655 -0.232 -7.441) 8.294 2.225 ( 2.682 -7.246 4.996) 9.201 2.508 ( -4.486 3.644 12.418) 13.697 2.771 ( 6.843 -7.522 12.891) 16.419 3.446 ( 17.666 -5.759 -5.911) 19.498 3.682 ( 7.443 4.377 -2.697) 9.046 4.008 ( -21.139 4.410 1.162) 21.625 4.191 ( 1.096 -2.521 1.261) 3.024 4.352 ( 5.783 -16.494 -2.407) 17.643 5.190 ( -0.551 0.856 -3.294) 3.448 5.560 ( -3.547 -0.702 0.973) 3.744 5.907 ( 1.314 5.824 -4.151) 7.272 6.623 ( -0.369 9.351 -7.014) 11.695 6.902 ( -6.384 -3.569 -1.533) 7.473 7.118 ( 13.956 2.220 2.367) 14.328 7.284 ( -4.913 -1.779 3.125) 6.088 7.748 ( 2.750 -1.976 2.921) 4.472 8.066 ( 2.279 -3.796 3.024) 5.362 8.866 ( -3.472 -1.263 -2.175) 4.287 9.874 ( -2.443 2.941 2.195) 4.408 10.068 ( -3.652 -0.672 -6.895) 7.831 11.543 ( -0.385 1.498 2.568) 2.998 11.688 ( 2.798 2.139 -1.616) 3.875 11.925 ( -2.483 -4.269 2.235) 5.421 12.427 ( 1.124 -2.274 2.222) 3.372 12.779 ( 6.356 5.243 5.666) 9.999 16.208 ( -0.788 0.616 -1.087) 1.477 17.419 ( 3.132 1.370 8.559) 9.216 18.038 ( 9.291 -3.048 6.032) 11.489 18.444 ( -14.335 0.627 -17.256) 22.443 ======================= Grid point 337 (184/226) ======================= q-point: ( 0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 6.330 1.458 -9.574) 11.570 2.202 ( -1.817 -2.998 1.150) 3.689 2.500 ( 3.853 -7.225 6.263) 10.309 2.983 ( 7.522 -3.744 18.505) 20.324 3.529 ( -3.971 -1.843 -9.946) 10.867 3.723 ( -3.979 -5.935 0.956) 7.209 3.837 ( 4.612 3.423 -4.467) 7.276 4.200 ( 4.701 -2.119 0.264) 5.163 4.363 ( 8.395 -5.409 0.682) 10.010 5.153 ( -0.728 -1.262 -0.596) 1.574 5.465 ( -6.601 -1.912 -1.669) 7.072 5.926 ( -2.318 3.685 -0.842) 4.434 6.585 ( -6.960 6.322 -2.918) 9.845 6.775 ( -5.485 -0.811 -0.451) 5.563 7.192 ( -3.627 -2.795 -3.236) 5.607 7.428 ( 14.376 1.680 4.867) 15.270 7.799 ( 2.910 -0.146 3.030) 4.203 8.089 ( 2.838 -3.805 1.853) 5.096 8.801 ( -1.735 -1.411 -0.039) 2.236 9.867 ( -3.038 2.020 2.444) 4.391 9.969 ( -2.609 0.173 -5.107) 5.738 11.563 ( -0.797 2.901 -0.099) 3.010 11.746 ( 1.745 1.103 0.058) 2.065 11.874 ( 1.336 -3.110 -0.706) 3.458 12.439 ( -0.323 -1.179 2.982) 3.222 12.934 ( 4.591 4.122 -0.558) 6.195 16.197 ( -0.947 0.861 -0.167) 1.291 17.585 ( 6.721 0.357 13.722) 15.283 18.094 ( -6.934 -6.923 -18.214) 20.683 18.163 ( -1.750 4.647 4.436) 6.658 ======================= Grid point 338 (185/226) ======================= q-point: (-0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 5.837 -1.066 -7.142) 9.286 2.151 ( -2.303 4.547 -4.510) 6.806 2.577 ( 8.312 -8.685 -1.663) 12.136 3.122 ( -0.861 -7.666 12.442) 14.639 3.302 ( -4.808 -2.634 2.069) 5.860 3.709 ( 4.024 -4.098 -2.252) 6.169 3.782 ( -3.341 -6.783 -5.749) 9.499 4.313 ( 5.612 6.432 -5.260) 10.026 4.526 ( 13.015 -2.231 3.938) 13.779 5.172 ( 1.344 -0.512 3.770) 4.035 5.305 ( -6.900 -0.200 -2.394) 7.307 5.889 ( -5.273 0.645 1.128) 5.430 6.487 ( -10.435 2.800 0.530) 10.817 6.698 ( -1.556 -2.038 0.946) 2.733 7.100 ( -0.414 -0.805 -5.955) 6.024 7.617 ( 5.481 -1.053 2.322) 6.045 7.877 ( 1.483 1.962 2.800) 3.727 8.102 ( 2.356 -3.905 -0.399) 4.578 8.796 ( 0.175 0.924 3.978) 4.088 9.847 ( -2.727 0.400 2.387) 3.647 9.934 ( 0.631 1.704 -2.747) 3.293 11.576 ( 0.000 2.984 -1.581) 3.377 11.737 ( -1.479 -1.300 -0.425) 2.015 11.924 ( 6.320 0.193 -2.677) 6.867 12.424 ( -2.514 -1.923 3.358) 4.615 12.988 ( 1.687 2.291 -8.084) 8.570 16.192 ( -0.846 0.781 0.763) 1.381 17.772 ( -2.682 -2.702 -0.438) 3.832 17.825 ( -0.039 -4.866 7.207) 8.696 18.213 ( 1.395 6.230 -3.065) 7.082 ======================= Grid point 339 (186/226) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 0.592 -3.289 -1.753) 3.774 2.195 ( 6.201 8.670 -10.603) 15.035 2.452 ( -5.188 -10.387 -12.187) 16.833 3.065 ( -0.087 -11.975 10.543) 15.955 3.291 ( -0.778 -12.036 2.454) 12.309 3.607 ( -3.560 -3.029 -8.049) 9.308 3.817 ( 8.849 6.894 5.696) 12.581 4.394 ( 2.689 7.362 -10.318) 12.957 4.707 ( 5.789 -7.271 8.080) 12.315 5.099 ( -5.443 1.849 -0.151) 5.750 5.367 ( 5.715 3.454 1.836) 6.926 5.784 ( -5.976 -2.314 1.892) 6.682 6.329 ( -7.412 -1.988 0.445) 7.687 6.717 ( 3.935 -1.346 2.094) 4.656 7.092 ( 0.518 3.938 -2.031) 4.461 7.653 ( -0.598 -1.556 1.747) 2.415 7.863 ( -5.073 0.241 -1.773) 5.379 8.090 ( 1.988 -4.013 -2.295) 5.032 8.873 ( 1.071 3.651 7.305) 8.237 9.833 ( -0.617 0.658 1.282) 1.568 9.974 ( 2.677 1.261 1.503) 3.319 11.601 ( 1.000 2.498 -1.568) 3.114 11.691 ( -0.961 -0.791 -4.051) 4.237 12.004 ( 4.962 -0.114 -2.614) 5.609 12.370 ( -3.514 -3.644 4.245) 6.606 12.922 ( -1.371 -0.142 -14.557) 14.622 16.194 ( -0.547 0.481 1.484) 1.653 17.579 ( -6.743 0.741 -8.306) 10.725 17.888 ( 3.529 -15.247 6.992) 17.141 18.363 ( 3.239 15.048 7.637) 17.183 ======================= Grid point 340 (187/226) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -1.673 -0.690 0.320) 1.838 2.158 ( -3.606 -10.527 -13.726) 17.669 2.352 ( 10.515 4.080 -9.169) 14.535 2.986 ( -1.911 -21.221 9.776) 23.443 3.061 ( -8.465 -7.317 -5.581) 12.503 3.542 ( -0.603 2.492 -3.053) 3.987 4.107 ( 8.916 5.103 4.093) 11.058 4.403 ( 1.531 5.643 -14.480) 15.616 4.629 ( -10.612 -3.144 6.795) 12.988 5.110 ( 1.560 -2.187 1.672) 3.165 5.463 ( 5.824 2.283 0.247) 6.261 5.776 ( 1.371 2.426 3.864) 4.764 6.261 ( 1.717 -3.365 2.282) 4.413 6.800 ( 4.984 -0.976 2.061) 5.481 7.150 ( -0.384 6.897 2.768) 7.442 7.589 ( -8.450 0.801 1.245) 8.579 7.740 ( -3.440 -3.433 -5.042) 7.003 8.060 ( 0.908 -3.587 -2.679) 4.568 8.967 ( -0.817 4.651 7.183) 8.596 9.861 ( 2.333 1.605 -0.600) 2.895 10.055 ( 2.625 0.744 6.239) 6.809 11.609 ( -1.342 0.298 -3.307) 3.582 11.645 ( 0.384 0.201 -4.511) 4.532 12.032 ( 1.073 -0.664 -2.936) 3.196 12.322 ( -0.894 -5.457 6.236) 8.334 12.759 ( -2.734 -2.871 -17.619) 18.060 16.203 ( -0.074 0.171 1.720) 1.730 17.462 ( -3.073 0.690 -6.513) 7.235 17.792 ( 0.923 -12.823 -2.258) 13.053 18.647 ( 3.218 14.969 15.112) 21.513 ======================= Grid point 341 (188/226) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -2.018 1.686 0.689) 2.718 1.990 ( 4.717 -11.269 -5.035) 13.213 2.428 ( 2.751 -4.791 -11.080) 12.380 2.721 ( -6.568 -16.370 6.665) 18.856 2.942 ( -0.340 -2.935 -5.121) 5.912 3.562 ( 0.966 2.742 0.132) 2.910 4.112 ( -3.446 -8.529 -1.872) 9.388 4.303 ( -4.358 1.030 -13.861) 14.566 4.601 ( -3.343 9.627 0.929) 10.233 5.131 ( 4.846 -1.994 2.663) 5.878 5.625 ( 4.581 3.450 0.359) 5.746 5.861 ( 4.188 4.210 4.869) 7.680 6.326 ( 6.025 -5.237 3.011) 8.532 6.881 ( 4.243 -0.254 2.616) 4.991 7.221 ( -3.591 7.716 4.326) 9.546 7.444 ( -7.229 0.680 -2.645) 7.728 7.650 ( -0.817 -2.980 -1.316) 3.359 8.019 ( -0.821 -1.699 -2.618) 3.227 9.027 ( -2.742 4.898 6.024) 8.234 9.925 ( 4.182 2.657 -2.903) 5.743 10.141 ( 0.500 0.705 7.750) 7.798 11.531 ( -1.298 -1.641 -7.741) 8.019 11.629 ( -1.239 -1.627 1.784) 2.714 12.001 ( -1.841 0.205 -2.437) 3.061 12.309 ( 0.070 -6.468 5.114) 8.246 12.584 ( 1.066 -5.177 -14.480) 15.415 16.218 ( 0.503 -0.046 1.328) 1.421 17.370 ( -3.195 -1.747 -5.966) 6.989 17.694 ( 2.564 -9.403 -2.354) 10.027 18.923 ( 1.047 15.548 12.534) 19.998 ======================= Grid point 401 (189/226) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -0.000 -0.000 13.006) 13.006 1.473 ( -0.000 -0.000 13.006) 13.006 2.606 ( -0.000 -0.000 11.451) 11.451 2.606 ( -0.000 -0.000 11.451) 11.451 2.652 ( -0.000 -0.000 8.456) 8.456 3.503 ( -0.000 -0.000 31.222) 31.222 4.327 ( 0.000 0.000 -17.507) 17.507 5.159 ( -0.000 -0.000 5.318) 5.318 5.159 ( -0.000 -0.000 5.318) 5.318 5.692 ( -0.000 -0.000 2.047) 2.047 6.059 ( 0.000 0.000 -7.916) 7.916 6.059 ( 0.000 0.000 -7.916) 7.916 6.944 ( -0.000 -0.000 5.381) 5.381 6.944 ( -0.000 -0.000 5.381) 5.381 7.174 ( 0.000 0.000 -9.001) 9.001 7.379 ( 0.000 0.000 -0.631) 0.631 7.379 ( 0.000 -0.000 -0.631) 0.631 7.613 ( 0.000 0.000 -9.416) 9.416 9.776 ( -0.000 -0.000 7.122) 7.122 9.826 ( 0.000 0.000 -2.879) 2.879 9.826 ( 0.000 0.000 -2.879) 2.879 11.379 ( 0.000 0.000 -1.473) 1.473 11.379 ( -0.000 -0.000 -1.473) 1.473 11.640 ( 0.000 0.000 -1.656) 1.656 12.225 ( -0.000 -0.000 4.848) 4.848 12.225 ( -0.000 -0.000 4.848) 4.848 16.180 ( -0.000 -0.000 0.914) 0.914 17.133 ( 0.000 0.000 -1.129) 1.129 17.133 ( 0.000 -0.000 -1.129) 1.129 19.927 ( 0.000 0.000 -0.335) 0.335 ======================= Grid point 402 (190/226) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 3.330 5.354 9.820) 11.670 1.746 ( 10.191 4.782 6.579) 13.038 2.576 ( -1.193 -9.811 8.076) 12.763 2.643 ( -4.246 4.328 6.443) 8.847 2.826 ( 4.541 4.424 17.396) 18.515 3.822 ( 7.238 3.650 31.721) 32.740 4.152 ( -3.805 -2.934 -16.195) 16.893 4.967 ( -23.027 -1.695 6.747) 24.055 5.199 ( 3.456 -11.732 4.627) 13.077 5.594 ( -3.129 -8.716 -10.092) 13.696 6.010 ( -0.238 15.459 1.035) 15.495 6.148 ( 6.836 -3.681 -5.657) 9.607 6.735 ( -19.380 -2.128 -0.702) 19.509 6.982 ( 4.538 -8.391 4.772) 10.667 7.132 ( -4.458 -5.951 -5.170) 9.056 7.259 ( 4.608 -0.094 0.725) 4.665 7.454 ( -6.267 10.355 -9.781) 15.562 7.754 ( 15.349 4.491 0.656) 16.006 9.628 ( -13.595 -4.326 5.477) 15.282 9.833 ( -0.325 -0.071 -2.558) 2.580 9.849 ( 6.034 -3.004 -2.996) 7.376 11.328 ( -2.894 3.658 -0.616) 4.705 11.523 ( 8.492 2.587 -0.545) 8.894 11.658 ( 3.346 1.493 -2.814) 4.620 12.208 ( 0.570 -1.278 5.556) 5.729 12.354 ( 3.578 4.220 3.195) 6.389 16.187 ( 0.189 0.138 0.639) 0.680 17.067 ( -2.130 0.001 -0.158) 2.136 17.284 ( 10.662 4.936 -1.597) 11.857 19.807 ( -9.835 -6.163 -0.563) 11.620 ======================= Grid point 403 (191/226) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 8.417 9.104 4.445) 13.172 1.942 ( 6.578 1.680 0.295) 6.796 2.511 ( -0.644 -5.234 1.950) 5.623 2.715 ( -1.220 3.237 16.012) 16.381 3.072 ( 4.304 5.070 19.665) 20.759 3.916 ( -6.597 -2.142 -4.300) 8.161 4.191 ( 5.186 -0.501 13.944) 14.886 4.552 ( -19.068 -8.435 4.987) 21.439 5.130 ( -1.370 -8.534 -1.583) 8.787 5.419 ( -3.231 -6.689 -6.012) 9.556 6.015 ( -6.437 -1.608 -5.682) 8.735 6.245 ( 0.348 4.525 2.972) 5.425 6.410 ( -12.826 0.106 -2.592) 13.086 6.938 ( 1.219 -11.325 -6.426) 13.078 7.060 ( 4.069 -0.129 3.976) 5.691 7.291 ( -1.522 0.937 -5.808) 6.077 7.472 ( -0.103 10.658 3.862) 11.337 8.005 ( 9.725 2.821 0.378) 10.133 9.373 ( -14.074 -7.106 4.000) 16.266 9.811 ( 0.050 0.681 -3.112) 3.186 9.915 ( 7.637 -1.921 -4.514) 9.077 11.341 ( -0.724 5.071 0.760) 5.178 11.615 ( 1.179 1.104 0.442) 1.675 11.753 ( 7.470 2.054 -2.829) 8.248 12.278 ( 4.153 -2.215 6.780) 8.254 12.462 ( 1.412 7.093 1.029) 7.305 16.197 ( 0.507 0.403 -0.142) 0.663 17.066 ( 0.266 1.742 2.124) 2.759 17.522 ( 12.402 5.762 -0.704) 13.694 19.512 ( -14.748 -9.802 -3.060) 17.970 ======================= Grid point 404 (192/226) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 5.439 -0.248 4.670) 7.174 2.003 ( 2.655 -0.659 -3.732) 4.627 2.492 ( -2.064 0.387 2.753) 3.463 2.855 ( -1.451 6.472 16.872) 18.129 3.314 ( 4.994 3.572 16.630) 17.727 3.809 ( -1.662 -0.330 -2.213) 2.787 3.994 ( -17.265 -8.632 6.880) 20.492 4.493 ( 0.999 -5.263 -3.822) 6.581 5.020 ( 0.915 -4.023 -1.545) 4.406 5.271 ( -4.193 -7.540 0.357) 8.635 5.786 ( -14.057 -1.564 -5.456) 15.160 6.090 ( -9.948 -2.030 -3.885) 10.871 6.373 ( 0.705 1.420 -4.759) 5.016 6.873 ( 6.735 -7.798 -5.684) 11.767 7.160 ( 1.711 -7.692 3.154) 8.488 7.272 ( -1.280 15.272 1.532) 15.402 7.610 ( 2.216 5.583 6.258) 8.675 8.128 ( 3.081 0.329 1.447) 3.420 9.118 ( -10.634 -6.371 1.192) 12.453 9.807 ( 0.362 1.786 -2.711) 3.267 9.989 ( 7.401 -1.208 -6.230) 9.749 11.405 ( 1.510 4.434 2.479) 5.300 11.625 ( -0.505 0.927 -0.806) 1.328 11.867 ( 5.545 0.816 0.389) 5.619 12.373 ( 5.426 -5.195 7.468) 10.592 12.545 ( -1.414 9.573 0.164) 9.678 16.207 ( 0.623 0.557 -1.158) 1.428 17.135 ( 2.340 2.956 4.892) 6.177 17.769 ( 10.343 5.009 2.759) 11.819 19.126 ( -15.026 -10.539 -8.962) 20.425 ======================= Grid point 405 (193/226) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -1.653 -0.435 -3.701) 4.077 2.035 ( 4.883 -9.362 9.109) 13.945 2.444 ( -8.004 -0.347 7.284) 10.827 2.998 ( -3.261 10.108 11.218) 15.448 3.492 ( -0.086 -4.023 16.550) 17.033 3.759 ( 1.549 2.134 -9.200) 9.570 3.869 ( -1.162 0.658 5.758) 5.911 4.245 ( -9.842 -8.978 -9.546) 16.389 5.093 ( 8.636 -4.375 0.237) 9.684 5.115 ( -10.006 -1.960 -3.080) 10.651 5.517 ( -11.233 -1.044 -1.931) 11.445 5.914 ( -4.446 -3.325 -5.523) 7.831 6.364 ( 2.659 -0.599 -6.263) 6.830 6.897 ( 6.996 -4.721 -6.084) 10.405 7.058 ( -4.649 -5.890 2.357) 7.865 7.459 ( -0.263 14.240 5.411) 15.236 7.716 ( 1.302 1.523 5.864) 6.197 8.147 ( -1.426 -1.126 2.659) 3.221 8.952 ( -3.915 -2.494 -1.144) 4.781 9.816 ( 0.566 1.655 -1.797) 2.508 10.043 ( 6.014 -1.035 -7.154) 9.403 11.498 ( 2.624 2.932 3.932) 5.562 11.612 ( -1.049 0.672 -0.994) 1.594 11.953 ( 3.180 0.141 2.642) 4.137 12.444 ( 4.505 -6.111 3.679) 8.437 12.604 ( -3.455 8.524 5.111) 10.522 16.211 ( 0.523 0.537 -1.874) 2.018 17.253 ( 3.023 3.484 6.869) 8.274 17.971 ( 4.212 1.849 9.902) 10.918 18.738 ( -8.907 -7.287 -19.014) 22.226 ======================= Grid point 406 (194/226) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -3.338 4.195 -4.521) 7.013 2.120 ( 7.534 -13.500 18.671) 24.241 2.345 ( -8.210 -1.444 7.148) 10.981 3.066 ( -6.126 6.614 8.025) 12.070 3.437 ( -14.019 -5.411 9.834) 17.959 3.597 ( -7.665 -3.935 -14.810) 17.134 3.981 ( 14.149 0.726 -9.275) 16.934 4.180 ( 4.421 1.741 12.214) 13.106 4.849 ( -17.208 4.097 -7.018) 19.031 5.141 ( 3.479 -4.573 -2.831) 6.405 5.428 ( 2.020 -4.171 1.763) 4.959 5.812 ( -1.399 -1.446 -4.781) 5.187 6.340 ( 0.452 -3.599 -4.448) 5.740 6.860 ( 0.214 -7.586 -2.742) 8.069 7.041 ( 3.724 2.811 -0.468) 4.689 7.567 ( -3.680 10.375 2.286) 11.243 7.754 ( -1.687 0.115 4.659) 4.956 8.111 ( -3.110 -1.899 2.854) 4.628 8.926 ( 2.260 1.626 -3.588) 4.542 9.833 ( 1.246 0.474 -0.447) 1.406 10.067 ( 4.051 -1.348 -6.959) 8.164 11.587 ( 1.000 1.921 5.696) 6.093 11.599 ( 0.241 0.028 -0.580) 0.629 12.008 ( 1.251 -0.449 3.535) 3.777 12.432 ( -0.927 -2.914 -3.674) 4.780 12.678 ( -2.449 3.310 14.191) 14.776 16.210 ( 0.336 0.387 -2.019) 2.083 17.376 ( 1.752 3.442 7.348) 8.301 17.999 ( -9.738 -6.547 13.328) 17.757 18.539 ( 8.160 2.325 -25.022) 26.421 ======================= Grid point 413 (195/226) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 2.059 -0.334 9.899) 10.116 1.815 ( -0.712 12.485 3.510) 12.989 2.558 ( -2.520 -7.754 3.612) 8.918 2.832 ( 0.897 3.441 16.241) 16.625 2.858 ( 1.638 4.153 11.369) 12.214 4.032 ( -1.955 6.322 5.419) 8.553 4.066 ( 0.810 -2.352 9.349) 9.674 5.018 ( 8.241 -15.053 5.765) 18.103 5.320 ( -8.738 4.221 5.811) 11.311 5.564 ( -15.412 -12.107 -5.762) 20.428 5.788 ( 17.453 -7.144 -8.322) 20.613 6.132 ( -2.025 1.646 0.135) 2.613 6.816 ( 9.876 -6.224 -0.244) 11.676 6.998 ( -3.068 -13.839 -14.763) 20.466 7.030 ( -13.094 -0.369 0.484) 13.108 7.241 ( 1.014 4.586 2.889) 5.514 7.513 ( 13.308 6.699 -1.097) 14.939 7.715 ( -7.214 13.414 0.577) 15.242 9.638 ( 3.412 -16.101 4.870) 17.164 9.798 ( -2.823 0.162 -1.595) 3.247 9.844 ( -2.435 1.195 -3.403) 4.352 11.393 ( 7.438 4.751 0.210) 8.828 11.474 ( -5.627 7.308 -1.697) 9.378 11.650 ( -0.044 3.865 -1.973) 4.339 12.200 ( -0.953 -4.095 5.191) 6.680 12.424 ( 1.268 10.167 2.303) 10.502 16.189 ( 0.031 -0.327 0.614) 0.696 17.121 ( 2.276 3.742 -0.108) 4.381 17.218 ( -2.295 6.466 -1.879) 7.114 19.798 ( -0.316 -12.814 -0.117) 12.819 ======================= Grid point 414 (196/226) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 7.799 4.246 6.102) 10.774 1.923 ( 0.737 6.414 -1.015) 6.535 2.502 ( -0.752 -2.104 3.468) 4.125 2.907 ( -2.863 4.966 17.361) 18.283 3.124 ( 8.313 2.992 15.337) 17.700 3.879 ( -2.657 -2.285 -15.793) 16.177 4.299 ( 1.102 4.809 22.147) 22.690 4.814 ( -19.595 -22.356 2.471) 29.831 5.153 ( -7.618 3.314 4.262) 9.337 5.352 ( -1.060 -6.322 -3.755) 7.429 5.836 ( 6.724 -17.223 -7.013) 19.775 6.220 ( 7.272 3.844 2.743) 8.670 6.634 ( -7.375 -15.467 -14.109) 22.197 6.795 ( -9.944 -2.488 -1.724) 10.395 6.973 ( 6.516 2.146 3.373) 7.645 7.325 ( 0.307 4.001 2.408) 4.680 7.645 ( -2.661 11.101 -3.917) 12.069 7.876 ( 9.300 7.730 2.738) 12.399 9.475 ( -7.151 -17.425 4.829) 19.445 9.769 ( 3.122 -1.222 -2.562) 4.219 9.818 ( -0.950 2.846 -2.734) 4.059 11.445 ( -4.126 7.529 -1.307) 8.684 11.579 ( 7.507 2.853 0.318) 8.037 11.690 ( 0.944 6.263 -2.393) 6.771 12.217 ( 2.887 -3.566 5.704) 7.320 12.559 ( 0.784 12.385 0.077) 12.410 16.191 ( 0.315 -0.369 0.154) 0.509 17.147 ( -3.188 6.925 1.886) 7.853 17.362 ( 11.325 6.030 -2.562) 13.083 19.572 ( -9.045 -17.197 -0.497) 19.437 ======================= Grid point 415 (197/226) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 5.210 -1.557 3.607) 6.525 1.953 ( 1.222 1.693 -1.539) 2.594 2.550 ( 0.595 6.580 2.745) 7.154 3.064 ( -0.833 7.818 17.564) 19.244 3.349 ( 4.530 0.712 11.549) 12.427 3.755 ( 2.186 -2.511 -8.418) 9.052 4.263 ( -20.898 -16.348 3.355) 26.744 4.459 ( -0.702 -0.248 5.932) 5.978 5.047 ( -9.882 -1.450 -0.419) 9.996 5.256 ( -1.462 -6.983 2.515) 7.564 5.709 ( 3.562 -15.123 -6.946) 17.019 6.205 ( -8.374 -8.082 -6.872) 13.516 6.426 ( -1.734 0.234 -2.786) 3.290 6.660 ( 1.326 -2.082 -4.360) 5.010 7.107 ( 2.812 -0.635 4.614) 5.440 7.397 ( 1.668 8.047 3.678) 9.004 7.695 ( -0.232 8.182 -1.178) 8.270 8.071 ( 5.621 3.466 2.085) 6.925 9.208 ( -9.592 -12.741 1.614) 16.030 9.818 ( 4.967 -1.422 -2.828) 5.890 9.820 ( 0.864 2.321 -1.835) 3.083 11.456 ( -1.193 5.422 -0.910) 5.626 11.668 ( -0.328 4.013 0.525) 4.061 11.779 ( 5.481 2.742 -0.429) 6.143 12.288 ( 4.417 -3.173 5.835) 7.977 12.675 ( -0.605 12.488 -1.199) 12.560 16.193 ( 0.501 -0.206 -0.636) 0.835 17.209 ( -0.716 8.238 4.796) 9.559 17.611 ( 13.829 5.659 -2.580) 15.163 19.196 ( -14.283 -18.574 -2.799) 23.597 ======================= Grid point 416 (198/226) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 3.635 -9.794 7.752) 13.009 1.992 ( -0.110 3.661 -2.451) 4.407 2.616 ( -4.582 5.338 5.337) 8.830 3.217 ( -3.268 10.121 7.932) 13.268 3.450 ( 5.395 -4.905 8.323) 11.065 3.752 ( -1.678 -2.345 -8.640) 9.109 3.930 ( -3.894 -6.433 7.755) 10.802 4.331 ( -13.374 -4.598 -2.218) 14.315 4.906 ( 2.339 -11.619 0.500) 11.863 5.202 ( -4.091 1.038 0.863) 4.308 5.553 ( -2.103 -11.054 -7.145) 13.329 5.963 ( -7.221 -4.869 -3.602) 9.425 6.362 ( -3.804 5.891 -5.939) 9.189 6.708 ( 6.792 -2.185 -2.805) 7.667 7.097 ( -3.537 -3.236 3.864) 6.158 7.570 ( 4.178 6.833 5.119) 9.505 7.765 ( 0.735 5.849 0.744) 5.942 8.154 ( 1.016 0.101 2.006) 2.251 8.978 ( -6.092 -7.260 -1.451) 9.588 9.827 ( -0.607 3.075 -1.825) 3.627 9.886 ( 6.461 -2.441 -2.531) 7.356 11.492 ( 1.485 2.658 -0.454) 3.078 11.684 ( -2.963 4.884 0.814) 5.770 11.887 ( 5.671 -1.135 2.240) 6.202 12.369 ( 3.697 -1.840 4.629) 6.203 12.758 ( -1.783 9.757 0.953) 9.965 16.194 ( 0.537 0.062 -1.315) 1.422 17.334 ( 0.365 9.227 7.320) 11.784 17.871 ( 13.902 4.437 -1.909) 14.717 18.743 ( -15.740 -17.418 -6.871) 24.461 ======================= Grid point 417 (199/226) ======================= q-point: (-0.27 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 2.471 -8.631 6.870) 11.305 1.996 ( 2.300 3.541 3.737) 5.639 2.566 ( -9.913 -0.429 10.211) 14.238 3.232 ( -4.749 1.615 0.176) 5.019 3.548 ( -0.438 -6.698 -10.775) 12.694 3.584 ( -0.734 -2.310 8.665) 8.997 3.863 ( -9.377 0.518 -7.336) 11.917 4.194 ( 3.366 0.337 10.239) 10.783 4.855 ( 5.610 -15.335 -3.526) 16.705 5.130 ( -7.847 5.827 -1.985) 9.973 5.385 ( -0.394 -7.931 -3.568) 8.706 5.841 ( -4.366 1.742 -2.067) 5.135 6.348 ( -2.219 6.530 -3.733) 7.842 6.751 ( 2.975 -3.204 -3.043) 5.327 7.044 ( -1.624 -1.540 4.319) 4.865 7.668 ( 0.440 1.297 1.324) 1.905 7.830 ( -0.832 5.609 1.747) 5.934 8.145 ( -1.893 -2.477 1.917) 3.660 8.872 ( 0.496 -1.759 -4.217) 4.596 9.831 ( -0.434 1.996 -1.439) 2.499 9.943 ( 4.868 -2.004 -2.050) 5.650 11.544 ( 2.856 0.806 0.119) 2.969 11.685 ( -2.754 3.128 2.509) 4.864 11.966 ( 4.204 -3.207 3.161) 6.160 12.416 ( 0.107 0.413 0.278) 0.509 12.829 ( -1.206 5.095 7.925) 9.499 16.195 ( 0.422 0.400 -1.589) 1.692 17.475 ( -0.577 8.820 8.555) 12.300 18.113 ( 9.733 2.412 3.857) 10.744 18.292 ( -10.343 -13.124 -16.249) 23.308 ======================= Grid point 424 (200/226) ======================= q-point: ( 0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -6.592 2.476 8.076) 10.715 1.960 ( -1.993 9.297 -0.537) 9.523 2.554 ( -0.931 -3.727 1.779) 4.233 2.853 ( 5.607 4.458 14.652) 16.309 3.082 ( -7.199 -0.258 16.603) 18.099 3.924 ( 2.357 -0.678 -9.992) 10.288 4.311 ( -1.802 6.100 17.099) 18.243 4.710 ( 15.126 -15.925 6.541) 22.917 5.354 ( 13.848 2.150 -1.057) 14.054 5.433 ( 2.253 -2.376 -8.127) 8.762 5.718 ( -14.026 -19.129 -3.447) 23.969 6.174 ( -4.201 -4.225 4.537) 7.489 6.535 ( 12.745 -4.797 -5.834) 14.815 6.861 ( -7.160 -12.822 -8.433) 16.935 7.097 ( 5.215 3.310 -0.443) 6.193 7.367 ( -7.615 3.627 1.437) 8.556 7.404 ( 8.379 9.635 2.386) 12.990 7.966 ( -7.327 9.708 1.038) 12.207 9.434 ( 6.107 -16.305 4.153) 17.899 9.800 ( 0.605 0.509 -2.557) 2.676 9.885 ( -3.489 2.569 -4.597) 6.318 11.348 ( 3.073 3.872 1.793) 5.258 11.606 ( -2.529 2.941 0.197) 3.884 11.708 ( -3.614 7.875 -3.658) 9.405 12.259 ( -5.255 -2.669 6.164) 8.528 12.502 ( 2.351 10.282 0.623) 10.565 16.189 ( -0.248 -0.471 0.152) 0.554 17.105 ( 2.515 4.433 1.818) 5.412 17.404 ( -10.538 8.346 -2.352) 13.647 19.586 ( 8.440 -16.158 -1.157) 18.266 ======================= Grid point 425 (201/226) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 2.092 5.139 7.103) 9.013 1.996 ( -2.697 6.659 -2.226) 7.521 2.540 ( -0.193 1.865 3.877) 4.306 3.039 ( 2.684 0.732 7.472) 7.973 3.159 ( 2.441 0.984 22.632) 22.785 3.825 ( -4.293 2.196 -14.579) 15.356 4.448 ( 0.849 2.803 10.380) 10.785 4.773 ( 0.587 -18.862 4.736) 19.456 5.234 ( -4.680 -11.683 -5.170) 13.606 5.428 ( -2.203 -2.866 -2.178) 4.220 5.535 ( 2.664 -8.421 3.019) 9.334 6.135 ( 3.032 -3.702 4.440) 6.528 6.397 ( -1.857 -19.967 -12.367) 23.560 6.797 ( 5.440 -2.065 -0.122) 5.820 7.108 ( -8.561 8.647 0.586) 12.182 7.353 ( 2.486 2.461 -0.400) 3.521 7.629 ( 5.708 7.008 -0.833) 9.077 7.979 ( -3.270 11.169 1.836) 11.781 9.357 ( 1.820 -19.445 4.606) 20.066 9.757 ( -2.964 -0.653 -2.282) 3.797 9.848 ( -0.800 3.368 -2.597) 4.328 11.484 ( 6.836 4.021 -0.418) 7.942 11.573 ( -4.919 5.147 -1.781) 7.339 11.753 ( 0.051 9.536 -1.755) 9.696 12.221 ( -1.569 -1.956 6.507) 6.973 12.646 ( 2.099 12.458 -2.143) 12.814 16.183 ( 0.083 -0.745 0.204) 0.777 17.247 ( 6.297 7.178 1.625) 9.686 17.328 ( -6.285 8.767 -1.665) 10.915 19.467 ( -0.587 -21.337 -0.357) 21.348 ======================= Grid point 426 (202/226) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 2.363 -1.339 3.955) 4.798 1.992 ( -2.199 6.623 -0.596) 7.004 2.639 ( 1.342 10.822 2.454) 11.177 3.173 ( 7.146 1.071 7.927) 10.726 3.359 ( 3.455 -3.392 19.363) 19.959 3.671 ( -4.089 2.652 -12.608) 13.517 4.369 ( -14.934 -22.028 -2.563) 26.736 4.527 ( -2.100 0.319 1.546) 2.628 5.195 ( 0.604 -9.657 3.358) 10.242 5.318 ( -14.466 3.187 5.703) 15.873 5.410 ( 6.603 -16.224 -5.877) 18.476 6.113 ( -0.930 -16.188 -8.184) 18.163 6.277 ( 9.218 -0.848 2.461) 9.579 6.765 ( -6.580 -2.244 2.067) 7.253 7.133 ( -0.266 9.960 -0.994) 10.013 7.436 ( 3.783 2.132 2.786) 5.159 7.697 ( 1.229 4.246 -5.234) 6.851 8.089 ( 1.783 7.523 3.132) 8.341 9.194 ( -3.582 -16.606 2.800) 17.217 9.725 ( 1.258 -0.330 -0.692) 1.474 9.858 ( -0.790 3.757 -1.441) 4.101 11.533 ( -3.734 5.359 -3.290) 7.313 11.619 ( 6.802 1.407 -0.514) 6.965 11.823 ( -1.616 8.793 -0.665) 8.965 12.258 ( 1.980 -1.235 7.129) 7.501 12.766 ( 1.222 12.193 -5.060) 13.258 16.180 ( 0.278 -0.629 -0.080) 0.692 17.354 ( -1.125 10.439 0.671) 10.521 17.450 ( 8.777 6.799 1.100) 11.157 19.176 ( -8.228 -23.171 -0.787) 24.601 ======================= Grid point 427 (203/226) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 1.343 -7.756 6.274) 10.066 2.044 ( -1.078 8.016 -0.299) 8.093 2.761 ( -1.852 10.845 -1.036) 11.051 3.332 ( 1.382 3.199 -2.976) 4.583 3.413 ( 2.785 -7.577 10.890) 13.556 3.660 ( 2.646 1.393 0.280) 3.003 3.956 ( -7.968 -15.457 1.981) 17.503 4.450 ( -5.523 -3.696 -4.565) 8.062 4.885 ( -14.339 -16.954 3.558) 22.488 5.303 ( -3.264 4.131 3.488) 6.316 5.367 ( 5.188 -8.577 -6.661) 12.036 5.945 ( -1.225 -7.424 -2.566) 7.950 6.392 ( 3.467 -0.491 -0.121) 3.504 6.677 ( -3.696 3.667 0.335) 5.217 7.171 ( -3.176 3.104 0.818) 4.516 7.549 ( 5.556 -0.143 2.085) 5.936 7.750 ( 4.351 4.063 -2.678) 6.528 8.172 ( 0.187 2.211 1.915) 2.931 8.992 ( -5.844 -10.211 0.002) 11.765 9.771 ( 4.210 -0.436 0.680) 4.287 9.869 ( -1.196 3.521 -0.749) 3.794 11.512 ( -1.499 4.132 -3.136) 5.400 11.721 ( 4.531 0.191 -0.070) 4.536 11.858 ( -1.618 4.926 0.684) 5.230 12.343 ( 3.132 -0.045 6.363) 7.092 12.846 ( 0.499 9.295 -4.893) 10.516 16.180 ( 0.388 -0.201 -0.446) 0.624 17.489 ( 1.394 13.424 3.887) 14.045 17.660 ( 10.670 3.787 -1.601) 11.435 18.775 ( -13.009 -21.988 -1.453) 25.590 ======================= Grid point 428 (204/226) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 4.540 -8.381 10.219) 13.974 2.087 ( -2.329 7.525 0.272) 7.882 2.724 ( -5.805 -1.841 -1.573) 6.289 3.282 ( -3.847 1.196 -3.389) 5.265 3.407 ( -0.212 -7.018 -9.398) 11.732 3.675 ( -2.092 2.244 9.879) 10.345 3.912 ( 2.506 -7.010 2.625) 7.894 4.255 ( -6.876 -2.741 0.728) 7.438 4.616 ( 0.068 -16.284 -0.006) 16.284 5.266 ( 0.377 -8.826 -3.780) 9.609 5.314 ( -6.531 7.604 0.504) 10.037 5.888 ( -0.727 -0.010 -0.603) 0.945 6.427 ( -0.168 6.656 -1.570) 6.841 6.701 ( 0.700 2.787 -0.382) 2.899 7.124 ( -5.217 0.073 3.933) 6.534 7.617 ( 4.726 -4.051 -0.649) 6.258 7.842 ( 3.561 2.264 -1.847) 4.607 8.165 ( -1.860 -1.942 0.672) 2.772 8.843 ( -2.915 -3.698 -2.095) 5.154 9.839 ( 2.470 1.150 -0.932) 2.880 9.881 ( 0.114 1.787 1.817) 2.551 11.524 ( 1.016 2.678 -1.357) 3.169 11.756 ( -0.791 1.294 -0.388) 1.565 11.889 ( 2.395 -1.720 2.552) 3.900 12.424 ( 1.445 1.305 2.589) 3.239 12.905 ( 1.193 4.511 0.393) 4.683 16.184 ( 0.414 0.446 -0.672) 0.907 17.673 ( -1.865 14.614 9.097) 17.315 17.837 ( 13.571 0.326 -11.775) 17.970 18.357 ( -13.470 -17.312 1.505) 21.986 ======================= Grid point 435 (205/226) ======================= q-point: ( 0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -11.018 4.345 4.994) 12.854 2.019 ( 1.346 4.379 -3.712) 5.896 2.547 ( 1.176 -0.912 4.099) 4.361 2.929 ( 2.710 1.703 15.681) 16.004 3.292 ( -8.746 -0.964 10.786) 13.920 3.851 ( 3.241 0.344 0.890) 3.379 4.210 ( 16.917 -10.675 4.877) 20.590 4.538 ( 2.947 0.359 -3.567) 4.641 5.127 ( 8.185 2.417 -1.032) 8.596 5.379 ( 5.906 -1.972 -0.383) 6.238 5.583 ( -4.461 -24.417 -7.280) 25.867 6.109 ( 6.426 -7.075 -3.421) 10.151 6.392 ( 1.835 1.951 -0.947) 2.841 6.878 ( -10.818 -10.066 -4.478) 15.440 7.058 ( 2.035 8.007 0.404) 8.272 7.371 ( 8.377 6.973 3.665) 11.499 7.556 ( -7.815 3.309 4.190) 9.465 8.126 ( -3.102 4.308 1.148) 5.431 9.199 ( 7.818 -12.852 1.875) 15.159 9.779 ( 0.331 1.236 -2.678) 2.968 9.937 ( -3.921 2.709 -5.597) 7.352 11.386 ( -1.383 2.804 3.289) 4.538 11.633 ( 1.082 2.737 -0.506) 2.986 11.831 ( -4.950 5.012 -1.584) 7.220 12.381 ( -7.006 -2.883 5.616) 9.430 12.555 ( 3.315 10.624 0.988) 11.173 16.190 ( -0.493 -0.376 -0.559) 0.835 17.161 ( -0.632 5.606 4.748) 7.373 17.653 ( -12.149 7.577 -2.093) 14.470 19.224 ( 14.097 -16.822 -4.212) 22.348 ======================= Grid point 436 (206/226) ======================= q-point: ( 0.45 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -4.854 5.878 4.877) 9.050 2.064 ( 0.827 5.219 -3.287) 6.223 2.572 ( 0.764 1.999 3.202) 3.851 3.086 ( -1.513 2.175 8.307) 8.720 3.257 ( 0.634 -4.118 17.369) 17.862 3.854 ( -3.244 3.369 -6.987) 8.408 4.374 ( 10.011 -6.473 -2.758) 12.236 4.580 ( 7.692 -8.409 0.364) 11.403 5.186 ( -9.759 -17.800 -6.400) 21.285 5.248 ( 5.600 -5.596 1.354) 8.032 5.470 ( 8.708 -4.217 2.178) 9.917 6.117 ( 5.178 -6.486 -2.445) 8.652 6.271 ( -12.694 -11.886 3.532) 17.745 6.707 ( 2.117 1.775 -4.776) 5.517 7.213 ( 6.026 5.306 0.755) 8.065 7.412 ( -9.990 3.034 1.331) 10.525 7.630 ( 5.566 8.242 2.344) 10.217 8.124 ( -3.264 5.641 0.323) 6.525 9.162 ( 3.653 -16.681 2.939) 17.328 9.782 ( -1.031 0.679 -1.351) 1.831 9.872 ( -1.574 2.668 -3.856) 4.946 11.442 ( 2.585 3.586 0.149) 4.423 11.666 ( -2.286 3.263 -0.016) 3.985 11.827 ( -0.199 8.434 -2.439) 8.782 12.307 ( -4.643 -0.798 5.849) 7.510 12.704 ( 2.202 11.625 -2.620) 12.118 16.178 ( -0.155 -0.649 0.036) 0.668 17.271 ( 1.300 8.455 3.909) 9.405 17.530 ( -8.656 8.414 -1.850) 12.213 19.193 ( 7.270 -22.566 -1.991) 23.792 ======================= Grid point 437 (207/226) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -2.286 0.406 3.072) 3.851 2.108 ( -1.169 8.914 -0.699) 9.017 2.686 ( 5.799 7.907 -1.513) 9.922 3.094 ( 0.801 -0.681 4.082) 4.215 3.397 ( 3.007 -6.800 19.187) 20.577 3.745 ( -6.060 4.605 -8.447) 11.369 4.299 ( -4.093 -18.075 -6.676) 19.699 4.519 ( -1.158 -7.338 -6.851) 10.106 5.040 ( 7.634 -3.236 -0.240) 8.295 5.214 ( -0.149 -13.573 3.183) 13.942 5.533 ( -2.705 -4.345 4.590) 6.875 5.966 ( -4.987 -12.732 -0.128) 13.674 6.178 ( 4.183 0.364 2.470) 4.872 6.770 ( 3.801 -0.357 0.498) 3.850 7.290 ( -4.127 1.395 -3.560) 5.626 7.350 ( 1.584 5.885 2.129) 6.455 7.738 ( -0.885 5.507 -1.077) 5.681 8.149 ( -0.017 4.760 0.687) 4.809 9.070 ( 1.486 -15.601 3.278) 16.011 9.745 ( -2.345 1.153 0.057) 2.614 9.885 ( 0.560 3.368 -1.348) 3.671 11.530 ( 5.013 2.675 -1.578) 5.897 11.626 ( -4.504 3.895 -2.959) 6.649 11.913 ( 0.552 8.466 -1.314) 8.585 12.296 ( -1.359 -0.370 7.350) 7.484 12.804 ( 1.460 10.751 -7.830) 13.380 16.173 ( 0.039 -0.561 0.380) 0.679 17.356 ( 0.836 6.254 -4.010) 7.476 17.575 ( -0.733 12.508 7.954) 14.841 19.011 ( -0.401 -24.969 -1.522) 25.018 ======================= Grid point 438 (208/226) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -1.705 -4.492 5.059) 6.977 2.172 ( -2.798 10.786 -0.077) 11.143 2.818 ( 4.056 6.798 -11.134) 13.661 3.166 ( 6.851 -2.715 -2.540) 7.795 3.429 ( -2.121 -4.393 10.104) 11.220 3.717 ( -0.153 1.281 7.481) 7.592 3.931 ( -9.229 -18.633 -3.604) 21.103 4.401 ( -0.626 -3.477 -11.178) 11.724 4.986 ( -12.380 -19.635 6.398) 24.077 5.174 ( 6.746 -1.326 -2.099) 7.188 5.438 ( -4.692 2.642 2.628) 5.992 5.867 ( 1.157 -6.636 1.399) 6.880 6.302 ( 7.065 0.609 3.037) 7.714 6.795 ( -3.073 1.071 4.356) 5.437 7.245 ( -1.166 3.395 -3.950) 5.338 7.409 ( 3.861 -2.524 -3.384) 5.721 7.758 ( -0.398 4.680 0.270) 4.705 8.190 ( 0.356 0.839 0.123) 0.920 8.962 ( -1.725 -10.564 2.035) 10.895 9.753 ( 0.612 2.327 1.725) 2.961 9.916 ( -0.476 3.306 0.529) 3.382 11.570 ( -3.587 4.263 -4.535) 7.184 11.626 ( 5.529 0.633 -0.925) 5.642 11.956 ( -2.595 5.896 -1.256) 6.563 12.350 ( 1.643 -0.265 7.704) 7.882 12.853 ( 1.703 7.767 -10.572) 13.228 16.174 ( 0.140 -0.138 0.483) 0.521 17.428 ( 6.663 5.402 -7.172) 11.181 17.766 ( -0.735 13.852 11.743) 18.174 18.709 ( -6.329 -24.193 -1.125) 25.032 ======================= Grid point 439 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 1.425 -5.554 8.478) 10.235 2.212 ( -3.456 7.966 0.724) 8.714 2.725 ( -4.977 -2.929 -15.951) 16.965 3.151 ( 4.197 -8.012 -14.930) 17.456 3.480 ( -3.126 2.618 14.241) 14.814 3.738 ( 5.451 -9.633 0.335) 11.074 3.781 ( -1.068 -0.102 6.939) 7.022 4.286 ( -2.256 -1.926 -7.265) 7.848 4.599 ( -13.902 -17.516 3.991) 22.716 5.187 ( 0.337 -3.580 -0.391) 3.617 5.466 ( -2.335 6.676 1.110) 7.159 5.866 ( 2.324 -1.803 1.852) 3.475 6.443 ( 4.772 4.382 3.219) 7.235 6.778 ( -4.332 4.245 3.194) 6.854 7.230 ( -3.089 3.260 -1.482) 4.729 7.416 ( 8.091 -9.195 -4.899) 13.192 7.803 ( 1.265 1.117 -0.528) 1.768 8.166 ( -1.398 -2.858 -1.270) 3.426 8.857 ( -3.271 -4.057 0.784) 5.270 9.817 ( 2.195 3.065 1.060) 3.916 9.939 ( -1.579 2.986 2.894) 4.448 11.539 ( -1.039 3.384 -3.363) 4.883 11.703 ( 4.561 -1.252 -0.000) 4.730 11.930 ( -4.004 2.273 -0.850) 4.682 12.426 ( 1.840 0.143 4.238) 4.623 12.878 ( 3.303 2.999 -7.499) 8.726 16.182 ( 0.251 0.533 0.421) 0.724 17.557 ( 10.311 2.312 -10.614) 14.977 17.949 ( -3.354 15.570 11.146) 19.440 18.370 ( -8.345 -20.204 1.763) 21.931 ======================= Grid point 446 (210/226) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 3.886 -0.912 -7.363) 8.376 2.135 ( -9.423 5.504 4.244) 11.709 2.548 ( 4.608 -1.343 12.064) 12.984 2.983 ( 2.159 -2.380 13.706) 14.078 3.524 ( -12.025 3.776 3.439) 13.065 3.751 ( 8.676 -4.676 1.295) 9.941 3.958 ( 9.180 -4.275 3.803) 10.817 4.323 ( 9.625 -4.344 -10.170) 14.661 5.106 ( 9.576 -20.098 -5.101) 22.840 5.140 ( -0.483 5.400 1.609) 5.656 5.473 ( -2.165 -4.627 -1.554) 5.340 5.936 ( 4.745 -3.210 -4.661) 7.386 6.381 ( 1.229 5.633 -4.246) 7.161 6.895 ( -3.632 -1.786 -5.430) 6.773 7.172 ( -2.938 0.935 2.674) 4.081 7.310 ( 5.112 1.864 5.532) 7.760 7.724 ( -4.595 2.703 4.637) 7.066 8.172 ( 0.443 -0.174 1.729) 1.794 8.989 ( 5.904 -7.341 -0.576) 9.439 9.784 ( -1.247 1.482 -1.558) 2.485 9.984 ( -3.740 2.193 -6.052) 7.445 11.475 ( -3.625 1.106 4.355) 5.774 11.631 ( 2.057 3.532 -0.947) 4.195 11.931 ( -4.093 1.076 0.953) 4.338 12.462 ( -2.917 -1.706 -1.720) 3.791 12.638 ( 1.010 8.187 8.919) 12.149 16.190 ( -0.570 -0.109 -1.147) 1.286 17.280 ( -1.644 6.273 6.982) 9.529 17.908 ( -12.328 6.044 -0.418) 13.736 18.777 ( 15.773 -15.298 -9.046) 23.762 ======================= Grid point 447 (211/226) ======================= q-point: ( 0.45 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 5.229 1.470 -6.911) 8.790 2.033 ( -7.558 3.707 0.595) 8.440 2.637 ( -1.512 1.143 9.426) 9.615 3.165 ( 4.871 0.472 14.580) 15.379 3.368 ( -8.917 -1.489 5.554) 10.610 3.826 ( 3.439 -0.510 -6.440) 7.319 4.092 ( 12.401 -6.923 -4.988) 15.053 4.361 ( 6.972 -5.498 -2.967) 9.362 4.962 ( 4.967 -24.452 -3.696) 25.223 5.239 ( 3.560 1.180 5.258) 6.459 5.369 ( -3.516 -1.201 -3.024) 4.790 5.949 ( 4.251 -4.624 -2.412) 6.728 6.387 ( -4.334 -1.011 1.010) 4.563 6.716 ( -5.856 -1.360 -3.780) 7.101 7.183 ( 0.764 2.421 -0.188) 2.546 7.527 ( 7.057 4.330 3.361) 8.935 7.693 ( -5.014 5.868 3.750) 8.582 8.185 ( -0.286 0.637 0.556) 0.893 8.980 ( 3.637 -11.323 0.946) 11.931 9.789 ( 0.425 2.333 -0.843) 2.516 9.902 ( -3.202 1.223 -4.181) 5.406 11.466 ( -1.425 2.204 1.369) 2.960 11.709 ( 1.508 3.757 0.909) 4.149 11.882 ( -2.109 2.752 -1.765) 3.891 12.403 ( -3.374 0.362 1.612) 3.757 12.774 ( 0.454 9.332 1.346) 9.439 16.177 ( -0.310 -0.187 -0.199) 0.414 17.405 ( -0.515 11.018 7.999) 13.625 17.734 ( -11.137 5.588 -4.588) 13.278 18.799 ( 12.440 -21.346 -3.954) 25.021 ======================= Grid point 448 (212/226) ======================= q-point: ( 0.55 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -6.397 2.113 1.211) 6.845 2.079 ( 9.291 2.580 -6.890) 11.851 2.678 ( -1.336 4.276 -0.293) 4.489 3.197 ( -5.197 1.507 5.401) 7.645 3.404 ( 3.237 -6.796 18.776) 20.228 3.760 ( -1.086 0.313 -13.354) 13.402 4.106 ( 3.320 -11.801 -7.623) 14.436 4.360 ( 2.649 -8.772 -5.120) 10.496 4.890 ( 9.146 -7.445 1.582) 11.899 5.192 ( -6.575 -5.156 2.319) 8.671 5.429 ( 9.130 -4.803 3.774) 10.985 5.925 ( -0.512 -8.144 0.212) 8.163 6.258 ( -8.622 0.679 4.315) 9.665 6.703 ( 3.760 2.510 -1.863) 4.890 7.186 ( 2.036 -3.573 -4.599) 6.169 7.577 ( -6.572 6.480 4.302) 10.182 7.770 ( 1.459 5.007 0.329) 5.226 8.182 ( -0.431 0.930 -0.714) 1.249 8.930 ( 2.295 -10.774 2.877) 11.385 9.797 ( -2.061 1.054 0.942) 2.499 9.885 ( 1.644 3.112 -2.079) 4.088 11.494 ( 1.566 3.006 -0.787) 3.480 11.705 ( -3.818 1.392 -1.212) 4.241 11.934 ( 3.565 5.607 -2.275) 7.023 12.377 ( -2.774 0.725 3.887) 4.830 12.836 ( -0.890 8.137 -6.329) 10.347 16.174 ( -0.129 -0.090 0.666) 0.684 17.454 ( -7.628 7.668 -3.144) 11.264 17.738 ( 1.883 11.378 8.404) 14.270 18.713 ( 6.070 -24.208 -2.707) 25.104 ======================= Grid point 449 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -5.039 -1.245 3.626) 6.331 2.229 ( 8.337 6.254 -6.434) 12.248 2.637 ( 1.445 -4.090 -11.294) 12.098 3.165 ( -5.186 2.099 -3.548) 6.625 3.496 ( 0.834 -3.890 17.019) 17.477 3.726 ( 4.013 2.882 -3.315) 5.950 3.863 ( -7.850 -19.091 -2.147) 20.753 4.286 ( 1.801 -1.122 -11.186) 11.386 5.012 ( -4.872 -14.236 7.440) 16.785 5.078 ( 6.154 2.750 0.871) 6.797 5.486 ( 0.505 -4.495 1.314) 4.710 5.823 ( -1.243 -5.723 3.286) 6.715 6.255 ( 2.087 2.682 3.928) 5.194 6.810 ( 5.418 2.077 2.769) 6.430 7.137 ( 2.393 -6.479 -5.200) 8.645 7.519 ( -10.205 5.651 0.255) 11.668 7.794 ( -0.233 2.218 -2.110) 3.070 8.183 ( 0.308 -0.676 -0.911) 1.175 8.900 ( 0.992 -6.448 3.676) 7.488 9.790 ( -0.819 2.043 1.167) 2.491 9.947 ( 1.664 3.202 1.943) 4.099 11.557 ( 3.526 2.519 -1.260) 4.513 11.636 ( -4.052 2.127 -4.124) 6.160 12.008 ( 0.947 4.134 -2.552) 4.950 12.386 ( -0.302 -0.556 6.456) 6.487 12.820 ( -0.655 5.580 -12.828) 14.005 16.179 ( -0.075 0.166 1.243) 1.256 17.391 ( -1.826 5.066 -6.368) 8.339 17.981 ( 1.766 15.422 11.243) 19.167 18.518 ( 0.313 -24.511 -0.227) 24.514 ======================= Grid point 450 (214/226) ======================= q-point: (-0.27 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -2.347 -2.712 6.290) 7.240 2.325 ( -1.626 4.901 -2.221) 5.621 2.539 ( 8.010 -6.510 -21.151) 23.535 3.002 ( -6.488 -3.784 -10.251) 12.708 3.562 ( -2.952 -18.400 9.566) 20.947 3.603 ( 2.406 -3.702 3.800) 5.825 3.872 ( 1.682 13.366 3.367) 13.885 4.237 ( 0.400 1.071 -9.020) 9.092 4.716 ( -15.573 -17.479 6.090) 24.189 5.167 ( 0.952 -0.334 1.436) 1.754 5.510 ( 3.641 3.538 -0.254) 5.083 5.824 ( 1.930 -3.035 4.153) 5.494 6.403 ( 8.051 3.142 5.581) 10.288 6.917 ( -1.449 4.318 5.921) 7.470 7.092 ( 6.836 -9.552 -4.972) 12.756 7.382 ( -8.560 3.609 -4.247) 10.214 7.791 ( 0.173 -0.727 -2.295) 2.413 8.148 ( -1.240 -3.109 -2.093) 3.948 8.881 ( -1.592 -1.434 2.987) 3.676 9.825 ( 1.273 3.014 0.134) 3.274 10.016 ( -0.247 3.196 5.705) 6.544 11.568 ( -2.541 2.287 -5.060) 6.106 11.629 ( 3.741 0.613 -0.004) 3.791 12.000 ( -2.897 1.929 -2.806) 4.470 12.431 ( 0.877 -1.623 6.158) 6.428 12.770 ( 2.637 1.621 -14.212) 14.546 16.191 ( 0.008 0.559 1.407) 1.515 17.405 ( 3.744 2.882 -7.573) 8.926 18.152 ( -0.462 6.255 -8.831) 10.831 18.339 ( -3.655 -10.770 20.877) 23.774 ======================= Grid point 534 (215/226) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.000 -0.000 6.374) 6.374 1.664 ( -0.000 -0.000 6.374) 6.374 2.723 ( -0.000 -0.000 3.254) 3.254 2.850 ( -0.000 -0.000 11.313) 11.313 2.850 ( -0.000 -0.000 11.313) 11.313 3.937 ( 0.000 0.000 -15.856) 15.856 4.266 ( -0.000 -0.000 34.446) 34.446 5.258 ( -0.000 -0.000 4.372) 4.372 5.258 ( -0.000 -0.000 4.372) 4.372 5.706 ( 0.000 0.000 -0.727) 0.727 5.901 ( 0.000 0.000 -7.251) 7.251 5.901 ( 0.000 0.000 -7.251) 7.251 6.877 ( 0.000 0.000 -18.107) 18.107 7.059 ( -0.000 -0.000 5.782) 5.782 7.059 ( -0.000 -0.000 5.782) 5.782 7.350 ( 0.000 -0.000 -2.323) 2.323 7.350 ( -0.000 -0.000 -2.323) 2.323 7.523 ( 0.000 0.000 -1.129) 1.129 9.770 ( 0.000 0.000 -2.483) 2.483 9.770 ( 0.000 0.000 -2.483) 2.483 9.895 ( -0.000 -0.000 4.475) 4.475 11.363 ( 0.000 0.000 -0.286) 0.286 11.363 ( 0.000 -0.000 -0.286) 0.286 11.610 ( 0.000 0.000 -1.215) 1.215 12.307 ( -0.000 -0.000 3.163) 3.163 12.307 ( -0.000 -0.000 3.163) 3.163 16.197 ( -0.000 -0.000 0.687) 0.687 17.112 ( 0.000 0.000 -0.905) 0.905 17.112 ( 0.000 0.000 -0.905) 0.905 19.921 ( 0.000 0.000 -0.256) 0.256 ======================= Grid point 535 (216/226) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 2.092 3.224 6.555) 7.599 1.816 ( 6.408 2.347 0.922) 6.887 2.636 ( -4.612 -5.304 3.210) 7.726 2.897 ( -0.930 2.477 12.168) 12.452 3.122 ( 10.121 6.318 11.614) 16.650 3.815 ( 0.175 -1.578 -16.018) 16.096 4.463 ( -2.296 -1.319 28.792) 28.913 5.091 ( -22.735 -0.603 5.200) 23.330 5.279 ( -4.361 -17.549 1.314) 18.131 5.399 ( -1.638 -3.446 -6.365) 7.421 5.951 ( -1.799 8.522 -7.282) 11.352 6.091 ( 14.776 3.179 0.574) 15.125 6.637 ( -13.970 -2.213 -9.869) 17.247 6.950 ( -3.064 -6.753 -3.637) 8.260 7.098 ( -1.833 -8.622 0.490) 8.828 7.253 ( 1.266 1.210 1.716) 2.452 7.403 ( -0.834 10.955 0.525) 10.999 7.762 ( 15.582 4.946 -0.020) 16.348 9.704 ( -9.874 -0.687 1.967) 10.091 9.775 ( 0.318 -0.657 -2.938) 3.027 9.813 ( -0.598 -5.706 -0.304) 5.746 11.339 ( -1.148 2.320 1.467) 2.976 11.511 ( 10.410 3.924 -0.944) 11.165 11.610 ( 0.432 0.619 -1.688) 1.849 12.314 ( 2.697 -1.247 4.734) 5.590 12.390 ( 1.797 3.974 0.390) 4.379 16.197 ( -0.245 -0.104 0.363) 0.450 17.079 ( -0.492 0.915 1.324) 1.683 17.241 ( 10.035 4.555 -2.590) 11.321 19.798 ( -10.656 -6.341 -0.318) 12.404 ======================= Grid point 536 (217/226) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 6.614 5.736 4.649) 9.913 1.915 ( 4.508 0.897 -2.692) 5.326 2.569 ( -0.843 -3.530 3.765) 5.230 3.012 ( 0.211 4.598 10.850) 11.786 3.369 ( 2.950 5.417 9.477) 11.307 3.758 ( 6.675 -2.289 -7.849) 10.555 4.526 ( -12.420 -2.199 15.365) 19.879 4.595 ( -19.157 -12.635 -0.802) 22.962 5.085 ( -4.514 -6.702 -0.748) 8.115 5.381 ( -0.925 -3.606 1.188) 3.908 5.859 ( -5.910 -1.212 -9.479) 11.236 6.247 ( -4.298 -0.533 -2.454) 4.978 6.332 ( -9.999 0.370 -4.386) 10.925 6.823 ( 5.263 -14.809 -3.089) 16.017 7.112 ( -0.106 16.101 -0.156) 16.102 7.261 ( 1.545 -6.303 3.203) 7.237 7.554 ( 4.129 8.377 3.097) 9.839 8.014 ( 10.065 3.115 0.195) 10.537 9.431 ( -15.700 -8.399 1.524) 17.870 9.753 ( -0.012 1.329 -2.304) 2.660 9.838 ( 4.830 -0.932 -2.678) 5.601 11.384 ( 1.578 2.835 3.153) 4.524 11.606 ( -0.383 1.201 -1.506) 1.964 11.715 ( 9.750 3.909 -0.605) 10.522 12.396 ( 5.502 -4.829 2.310) 7.676 12.469 ( 1.191 9.060 1.984) 9.351 16.193 ( -0.248 -0.055 -0.273) 0.373 17.130 ( 2.235 2.814 3.973) 5.357 17.469 ( 13.731 6.410 -4.196) 15.723 19.470 ( -18.182 -10.959 -1.144) 21.260 ======================= Grid point 537 (218/226) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -0.460 0.332 -4.176) 4.214 2.056 ( 8.312 2.310 4.366) 9.669 2.593 ( 1.682 -1.319 6.369) 6.718 3.103 ( -1.288 5.022 5.550) 7.594 3.491 ( 2.916 4.173 4.030) 6.493 3.795 ( 0.605 -4.607 -4.564) 6.513 4.138 ( -15.593 -8.438 7.912) 19.414 4.405 ( -12.639 -3.818 0.331) 13.207 5.023 ( 3.766 -4.570 0.960) 5.999 5.274 ( -7.215 -6.124 -0.966) 9.513 5.649 ( -9.912 -0.965 -7.126) 12.246 6.006 ( -11.878 -1.700 -3.670) 12.548 6.260 ( 0.956 -2.159 -5.361) 5.858 6.795 ( 5.375 -7.528 -2.159) 9.498 7.215 ( -2.699 -3.269 3.090) 5.246 7.343 ( 4.902 13.459 3.133) 14.663 7.704 ( 4.143 4.085 2.797) 6.456 8.149 ( 4.026 1.025 0.584) 4.195 9.118 ( -12.164 -7.881 -1.255) 14.548 9.763 ( 0.593 2.326 -1.559) 2.862 9.894 ( 4.632 -0.116 -2.644) 5.335 11.475 ( 3.922 1.029 3.807) 5.561 11.603 ( -1.006 2.754 -0.699) 3.015 11.886 ( 6.984 2.705 1.314) 7.604 12.416 ( 2.057 -1.693 -3.703) 4.562 12.629 ( 4.415 5.849 8.408) 11.153 16.186 ( -0.098 0.043 -0.890) 0.896 17.248 ( 3.841 3.853 5.895) 8.022 17.733 ( 14.646 6.988 -5.933) 17.278 19.011 ( -21.816 -13.150 -2.315) 25.577 ======================= Grid point 546 (219/226) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 1.280 0.802 6.292) 6.471 1.838 ( -0.975 7.471 -0.749) 7.572 2.639 ( -1.325 -8.058 4.517) 9.332 3.037 ( 2.614 3.471 5.621) 7.105 3.148 ( -0.204 12.176 13.237) 17.987 3.708 ( -1.578 -0.827 -14.782) 14.889 4.629 ( 0.093 -7.242 22.633) 23.763 5.135 ( 6.050 -14.902 5.034) 16.853 5.350 ( -2.135 -2.821 -4.043) 5.372 5.461 ( -12.778 -6.311 -4.339) 14.897 5.682 ( 9.237 -6.693 0.247) 11.409 6.129 ( -0.804 10.106 -0.470) 10.149 6.599 ( 1.265 -5.987 -13.928) 15.213 6.912 ( 6.601 -13.727 1.297) 15.286 7.047 ( -12.375 -4.612 0.901) 13.237 7.299 ( 1.944 4.140 2.281) 5.111 7.472 ( 6.910 8.177 -2.838) 11.076 7.733 ( -3.732 15.303 1.055) 15.786 9.698 ( 3.528 -7.683 1.411) 8.571 9.773 ( -0.877 2.364 -2.433) 3.504 9.800 ( -3.326 -9.228 0.572) 9.826 11.404 ( 6.031 3.943 0.017) 7.205 11.451 ( -5.644 7.538 -0.083) 9.417 11.615 ( 0.377 2.744 -1.384) 3.097 12.297 ( -0.991 -2.108 4.250) 4.846 12.440 ( 1.047 7.934 -0.672) 8.031 16.198 ( 0.026 -0.587 0.325) 0.672 17.136 ( 3.390 5.084 1.320) 6.251 17.174 ( -3.420 5.618 -2.217) 6.941 19.795 ( -0.108 -12.678 -0.118) 12.679 ======================= Grid point 547 (220/226) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 4.970 3.476 4.615) 7.621 1.883 ( 0.835 4.916 -2.580) 5.614 2.584 ( -1.686 -2.419 3.879) 4.873 3.127 ( 1.069 6.233 3.534) 7.245 3.436 ( 6.059 9.010 14.481) 18.099 3.577 ( 0.990 -2.312 -12.756) 13.002 4.645 ( -2.406 -8.952 10.949) 14.346 4.778 ( -17.939 -22.940 -4.804) 29.515 5.256 ( -11.500 4.526 5.396) 13.485 5.343 ( 1.545 -4.264 0.923) 4.628 5.687 ( 3.123 -14.008 -5.921) 15.525 6.240 ( 0.723 1.671 -1.452) 2.329 6.419 ( 3.009 -11.986 -4.631) 13.197 6.770 ( -16.308 0.844 -1.125) 16.368 7.032 ( 11.880 -1.999 2.402) 12.284 7.362 ( -2.961 7.158 1.378) 7.868 7.567 ( 3.814 5.664 -4.029) 7.928 7.932 ( 6.602 10.704 2.464) 12.815 9.534 ( -9.476 -16.674 0.619) 19.188 9.739 ( 3.400 -1.546 -0.199) 3.741 9.780 ( -1.054 3.475 -0.507) 3.666 11.427 ( -1.673 4.062 -1.043) 4.515 11.590 ( 8.402 2.869 1.123) 8.949 11.648 ( -0.309 7.508 -1.636) 7.691 12.325 ( 2.170 -1.617 4.401) 5.167 12.532 ( 1.786 9.446 -2.363) 9.900 16.192 ( -0.180 -0.626 -0.003) 0.651 17.189 ( -0.456 7.124 1.139) 7.228 17.311 ( 9.273 7.186 -1.329) 11.806 19.566 ( -9.926 -17.345 -0.081) 19.985 ======================= Grid point 548 (221/226) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.980 4.424 -2.910) 5.385 1.976 ( 5.883 -0.955 5.098) 7.843 2.603 ( 0.797 3.767 1.113) 4.008 3.196 ( -1.630 7.094 -2.831) 7.810 3.511 ( 3.047 -2.143 -2.858) 4.695 3.689 ( 3.778 2.198 6.088) 7.494 4.288 ( -12.964 -16.093 2.730) 20.845 4.557 ( -5.485 -9.591 2.758) 11.388 5.080 ( -14.947 0.005 3.687) 15.395 5.298 ( -2.455 -5.162 -0.160) 5.718 5.550 ( 3.046 -13.564 -6.957) 15.546 6.097 ( -4.808 -9.305 -2.202) 10.702 6.361 ( -10.315 4.574 -4.005) 11.973 6.639 ( 2.721 -2.103 1.662) 3.820 7.186 ( 4.689 -3.323 2.941) 6.455 7.434 ( 1.195 13.561 -0.076) 13.613 7.669 ( 6.050 1.886 -1.507) 6.514 8.111 ( 3.958 5.333 1.520) 6.813 9.209 ( -11.692 -12.756 -1.383) 17.359 9.778 ( 1.318 1.222 -0.979) 2.047 9.814 ( 2.419 1.205 1.442) 3.063 11.446 ( 1.381 1.426 -0.263) 2.003 11.669 ( -0.436 4.986 -0.195) 5.009 11.788 ( 7.658 3.459 1.243) 8.494 12.368 ( 1.332 0.180 0.741) 1.535 12.659 ( 4.478 8.145 0.687) 9.320 16.182 ( -0.226 -0.371 -0.402) 0.592 17.296 ( 2.633 8.562 2.509) 9.303 17.536 ( 11.175 7.140 -3.267) 13.658 19.171 ( -16.487 -19.151 0.103) 25.270 ======================= Grid point 557 (222/226) ======================= q-point: ( 0.45 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -4.604 2.657 5.500) 7.649 1.918 ( -1.138 6.873 -3.298) 7.708 2.607 ( 0.424 -3.273 1.963) 3.841 3.080 ( -0.132 4.042 7.211) 8.267 3.353 ( -1.316 2.826 10.551) 11.002 3.695 ( -6.038 6.617 -11.389) 14.489 4.600 ( 4.937 -15.418 10.198) 19.134 4.798 ( 17.606 -13.425 -0.512) 22.146 5.283 ( 9.629 0.425 0.831) 9.675 5.374 ( -4.467 -4.240 -2.944) 6.826 5.658 ( -0.864 -13.117 -1.956) 13.290 6.219 ( -0.559 -3.088 0.116) 3.140 6.421 ( 6.770 -0.539 -3.556) 7.666 6.765 ( -7.922 -13.017 -1.426) 15.305 7.073 ( 8.709 7.567 -1.626) 11.651 7.380 ( -9.400 0.201 -0.277) 9.406 7.480 ( 3.873 9.781 4.403) 11.404 7.967 ( -7.291 10.568 -0.917) 12.872 9.506 ( 7.531 -16.376 2.819) 18.244 9.757 ( 2.147 1.034 -1.675) 2.913 9.806 ( -3.048 1.304 -2.860) 4.378 11.392 ( 0.302 2.570 2.236) 3.420 11.616 ( -1.037 2.102 0.374) 2.373 11.640 ( -5.280 9.023 -2.454) 10.738 12.356 ( -3.902 -1.283 2.329) 4.722 12.498 ( 0.054 8.860 0.022) 8.861 16.191 ( 0.214 -0.674 0.074) 0.711 17.159 ( 0.051 5.477 3.057) 6.273 17.342 ( -8.850 8.817 -3.280) 12.916 19.570 ( 9.759 -17.065 -0.475) 19.664 ======================= Grid point 558 (223/226) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 1.515 3.454 5.022) 6.281 1.937 ( -2.197 7.606 -3.632) 8.710 2.607 ( 0.971 -0.162 1.246) 1.588 3.114 ( 1.212 0.838 0.021) 1.474 3.520 ( 1.259 -0.209 2.830) 3.104 3.586 ( -2.991 11.919 0.735) 12.311 4.554 ( 3.058 -17.200 2.346) 17.627 4.765 ( -6.632 -18.531 -6.934) 20.868 5.133 ( 4.250 -8.105 -4.694) 10.285 5.394 ( 2.008 -3.648 0.547) 4.201 5.669 ( -2.227 -4.737 8.145) 9.682 6.212 ( 2.460 -2.040 0.940) 3.331 6.254 ( -6.580 -15.170 1.079) 16.571 6.799 ( 12.607 -2.402 0.230) 12.836 7.107 ( -14.684 10.117 -0.143) 17.833 7.330 ( 7.694 -0.319 -2.362) 8.055 7.600 ( -2.006 8.032 -1.812) 8.475 8.007 ( 0.169 10.950 0.907) 10.989 9.427 ( 1.210 -19.316 1.986) 19.456 9.730 ( -2.348 0.300 -0.212) 2.376 9.814 ( 0.957 3.224 -0.374) 3.384 11.452 ( 2.362 3.695 -2.980) 5.303 11.569 ( -2.968 2.076 1.434) 3.896 11.723 ( 0.915 10.316 -1.104) 10.415 12.342 ( -0.435 -0.046 5.128) 5.147 12.568 ( 0.515 9.233 -5.211) 10.614 16.187 ( 0.011 -0.742 0.231) 0.777 17.215 ( 0.292 5.324 -3.965) 6.645 17.371 ( -0.303 12.834 4.807) 13.708 19.461 ( -0.068 -21.935 -0.065) 21.935 ======================= Grid point 559 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 2.505 -1.651 4.247) 5.200 1.964 ( -1.124 9.662 -1.754) 9.884 2.642 ( 0.351 4.910 -3.138) 5.837 3.167 ( 6.251 0.089 -6.875) 9.292 3.424 ( -3.352 1.953 -5.855) 7.023 3.778 ( 1.619 3.754 11.949) 12.629 4.298 ( -8.797 -20.724 -3.768) 22.827 4.484 ( -1.607 -11.538 -1.944) 11.810 5.185 ( 8.240 -4.298 -4.616) 10.377 5.369 ( 0.431 -9.959 1.110) 10.030 5.437 ( -20.877 -4.636 6.561) 22.369 6.045 ( -2.059 -11.267 1.145) 11.510 6.341 ( 7.460 -1.929 3.451) 8.443 6.812 ( -11.367 0.947 2.584) 11.696 7.091 ( 4.578 7.190 -2.518) 8.888 7.445 ( 8.298 -1.735 -2.395) 8.810 7.617 ( -1.284 8.616 -2.622) 9.097 8.130 ( 2.366 6.118 0.857) 6.615 9.221 ( -5.997 -15.466 -0.077) 16.589 9.737 ( 1.684 0.438 1.515) 2.308 9.857 ( -0.348 3.714 1.893) 4.183 11.461 ( -1.382 3.752 -3.812) 5.524 11.621 ( 5.587 0.199 0.575) 5.620 11.815 ( -0.298 8.612 0.057) 8.617 12.384 ( -0.031 1.117 4.494) 4.631 12.640 ( 4.166 7.891 -6.598) 11.098 16.181 ( -0.229 -0.414 0.237) 0.529 17.273 ( 5.120 5.714 -5.821) 9.631 17.559 ( 1.533 14.010 6.413) 15.484 19.174 ( -8.170 -23.699 0.875) 25.083 ======================= Grid point 668 (225/226) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -0.000 -0.000 1.985) 1.985 1.747 ( -0.000 -0.000 1.985) 1.985 2.816 ( -0.000 -0.000 4.362) 4.362 3.020 ( -0.000 -0.000 4.597) 4.597 3.020 ( -0.000 -0.000 4.597) 4.597 3.640 ( 0.000 0.000 -9.813) 9.813 4.870 ( -0.000 -0.000 20.053) 20.053 5.327 ( -0.000 -0.000 2.016) 2.016 5.327 ( -0.000 -0.000 2.016) 2.016 5.659 ( 0.000 0.000 -3.394) 3.394 5.787 ( 0.000 0.000 -3.323) 3.323 5.787 ( 0.000 0.000 -3.323) 3.323 6.551 ( 0.000 0.000 -10.788) 10.788 7.171 ( -0.000 -0.000 4.891) 4.891 7.171 ( -0.000 -0.000 4.891) 4.891 7.287 ( 0.000 0.000 -3.638) 3.638 7.287 ( 0.000 0.000 -3.638) 3.638 7.518 ( -0.000 -0.000 0.096) 0.096 9.733 ( 0.000 0.000 -0.974) 0.974 9.733 ( 0.000 0.000 -0.974) 0.974 9.956 ( -0.000 -0.000 1.511) 1.511 11.362 ( 0.000 0.000 0.030) 0.030 11.362 ( -0.000 -0.000 0.030) 0.030 11.593 ( 0.000 0.000 -0.441) 0.441 12.351 ( -0.000 -0.000 1.098) 1.098 12.351 ( -0.000 -0.000 1.098) 1.098 16.206 ( -0.000 -0.000 0.254) 0.254 17.099 ( 0.000 -0.000 -0.347) 0.347 17.099 ( -0.000 -0.000 -0.347) 0.347 19.917 ( 0.000 0.000 -0.095) 0.095 ======================= Grid point 669 (226/226) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 2.443 3.414 1.637) 4.506 1.799 ( 4.154 0.486 -0.690) 4.239 2.692 ( -6.540 -4.279 0.557) 7.835 3.062 ( 1.787 1.591 3.491) 4.232 3.286 ( 14.428 9.006 2.804) 17.238 3.566 ( -1.354 -1.675 -5.108) 5.543 4.864 ( -8.458 -5.221 4.719) 11.003 5.141 ( -25.120 -9.771 1.071) 26.975 5.255 ( -4.443 -7.152 3.194) 9.006 5.402 ( 1.022 -0.172 1.462) 1.792 5.784 ( -1.159 0.331 -7.969) 8.060 6.113 ( 13.131 7.225 1.099) 15.028 6.464 ( -4.860 -1.266 -2.583) 5.647 6.927 ( -9.463 -11.205 -0.130) 14.667 7.075 ( -7.849 2.166 -1.824) 8.344 7.310 ( 3.677 -4.713 1.885) 6.268 7.418 ( 5.776 9.077 1.593) 10.876 7.753 ( 14.411 7.313 -0.794) 16.180 9.726 ( -0.669 -2.034 -1.775) 2.782 9.731 ( -2.900 0.866 1.408) 3.338 9.814 ( -8.270 -5.814 -0.204) 10.111 11.377 ( 1.458 1.334 2.037) 2.838 11.478 ( 8.623 4.653 -2.022) 10.004 11.597 ( 0.876 0.512 0.285) 1.054 12.364 ( 0.822 -0.492 -1.950) 2.173 12.402 ( 3.978 3.267 2.778) 5.849 16.201 ( -0.508 -0.286 0.022) 0.584 17.117 ( 1.959 1.622 2.258) 3.401 17.186 ( 7.739 3.970 -2.559) 9.066 19.794 ( -10.945 -6.342 -0.054) 12.650 =================== 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 3/39930 10.0 927.837 927.837 781.351 0.000 -0.000 0.000 3/39930 20.0 63.029 63.029 54.865 0.000 -0.000 0.000 3/39930 30.0 20.951 20.951 19.740 0.000 -0.000 0.000 3/39930 40.0 11.283 11.283 11.148 0.000 -0.000 0.000 3/39930 50.0 7.456 7.456 7.548 0.000 -0.000 0.000 3/39930 60.0 5.510 5.510 5.636 0.000 -0.000 0.000 3/39930 70.0 4.367 4.367 4.478 0.000 -0.000 0.000 3/39930 80.0 3.627 3.627 3.714 0.000 -0.000 0.000 3/39930 90.0 3.112 3.112 3.176 0.000 -0.000 0.000 3/39930 100.0 2.734 2.734 2.780 0.000 -0.000 0.000 3/39930 110.0 2.445 2.445 2.477 0.000 -0.000 0.000 3/39930 120.0 2.217 2.217 2.238 0.000 -0.000 0.000 3/39930 130.0 2.032 2.032 2.045 0.000 -0.000 0.000 3/39930 140.0 1.879 1.879 1.886 0.000 -0.000 0.000 3/39930 150.0 1.749 1.749 1.752 0.000 -0.000 0.000 3/39930 160.0 1.639 1.639 1.638 0.000 -0.000 0.000 3/39930 170.0 1.543 1.543 1.540 0.000 -0.000 0.000 3/39930 180.0 1.459 1.459 1.454 0.000 -0.000 0.000 3/39930 190.0 1.385 1.385 1.378 0.000 -0.000 0.000 3/39930 200.0 1.319 1.319 1.311 0.000 -0.000 0.000 3/39930 210.0 1.260 1.260 1.251 0.000 -0.000 0.000 3/39930 220.0 1.206 1.206 1.196 0.000 -0.000 0.000 3/39930 230.0 1.157 1.157 1.146 0.000 -0.000 0.000 3/39930 240.0 1.112 1.112 1.101 0.000 -0.000 0.000 3/39930 250.0 1.071 1.071 1.060 0.000 -0.000 0.000 3/39930 260.0 1.033 1.033 1.021 0.000 -0.000 0.000 3/39930 270.0 0.997 0.997 0.986 0.000 -0.000 0.000 3/39930 280.0 0.964 0.964 0.953 0.000 -0.000 0.000 3/39930 290.0 0.934 0.934 0.922 0.000 -0.000 0.000 3/39930 300.0 0.905 0.905 0.893 0.000 -0.000 0.000 3/39930 310.0 0.878 0.878 0.867 0.000 -0.000 0.000 3/39930 320.0 0.853 0.853 0.841 0.000 -0.000 0.000 3/39930 330.0 0.829 0.829 0.817 0.000 -0.000 0.000 3/39930 340.0 0.806 0.806 0.795 0.000 -0.000 0.000 3/39930 350.0 0.785 0.785 0.774 0.000 -0.000 0.000 3/39930 360.0 0.765 0.765 0.753 0.000 -0.000 0.000 3/39930 370.0 0.745 0.745 0.734 0.000 -0.000 0.000 3/39930 380.0 0.727 0.727 0.716 0.000 -0.000 0.000 3/39930 390.0 0.710 0.710 0.699 0.000 -0.000 0.000 3/39930 400.0 0.693 0.693 0.682 0.000 -0.000 0.000 3/39930 410.0 0.677 0.677 0.667 0.000 -0.000 0.000 3/39930 420.0 0.662 0.662 0.652 0.000 -0.000 0.000 3/39930 430.0 0.648 0.648 0.637 0.000 -0.000 0.000 3/39930 440.0 0.634 0.634 0.624 0.000 -0.000 0.000 3/39930 450.0 0.620 0.620 0.611 0.000 -0.000 0.000 3/39930 460.0 0.608 0.608 0.598 0.000 -0.000 0.000 3/39930 470.0 0.595 0.595 0.586 0.000 -0.000 0.000 3/39930 480.0 0.584 0.584 0.574 0.000 -0.000 0.000 3/39930 490.0 0.572 0.572 0.563 0.000 -0.000 0.000 3/39930 500.0 0.562 0.562 0.552 0.000 -0.000 0.000 3/39930 510.0 0.551 0.551 0.542 0.000 -0.000 0.000 3/39930 520.0 0.541 0.541 0.532 0.000 -0.000 0.000 3/39930 530.0 0.531 0.531 0.522 0.000 -0.000 0.000 3/39930 540.0 0.522 0.522 0.513 0.000 -0.000 0.000 3/39930 550.0 0.513 0.513 0.504 0.000 -0.000 0.000 3/39930 560.0 0.504 0.504 0.495 0.000 -0.000 0.000 3/39930 570.0 0.496 0.496 0.487 0.000 -0.000 0.000 3/39930 580.0 0.487 0.487 0.479 0.000 -0.000 0.000 3/39930 590.0 0.479 0.479 0.471 0.000 -0.000 0.000 3/39930 600.0 0.472 0.472 0.464 0.000 -0.000 0.000 3/39930 610.0 0.464 0.464 0.456 0.000 -0.000 0.000 3/39930 620.0 0.457 0.457 0.449 0.000 -0.000 0.000 3/39930 630.0 0.450 0.450 0.442 0.000 -0.000 0.000 3/39930 640.0 0.443 0.443 0.436 0.000 -0.000 0.000 3/39930 650.0 0.437 0.437 0.429 0.000 -0.000 0.000 3/39930 660.0 0.430 0.430 0.423 0.000 -0.000 0.000 3/39930 670.0 0.424 0.424 0.417 0.000 -0.000 0.000 3/39930 680.0 0.418 0.418 0.411 0.000 -0.000 0.000 3/39930 690.0 0.412 0.412 0.405 0.000 -0.000 0.000 3/39930 700.0 0.406 0.406 0.399 0.000 -0.000 0.000 3/39930 710.0 0.401 0.401 0.394 0.000 -0.000 0.000 3/39930 720.0 0.395 0.395 0.388 0.000 -0.000 0.000 3/39930 730.0 0.390 0.390 0.383 0.000 -0.000 0.000 3/39930 740.0 0.385 0.385 0.378 0.000 -0.000 0.000 3/39930 750.0 0.380 0.380 0.373 0.000 -0.000 0.000 3/39930 760.0 0.375 0.375 0.368 0.000 -0.000 0.000 3/39930 770.0 0.370 0.370 0.364 0.000 -0.000 0.000 3/39930 780.0 0.366 0.366 0.359 0.000 -0.000 0.000 3/39930 790.0 0.361 0.361 0.355 0.000 -0.000 0.000 3/39930 800.0 0.357 0.357 0.350 0.000 -0.000 0.000 3/39930 810.0 0.353 0.353 0.346 0.000 -0.000 0.000 3/39930 820.0 0.348 0.348 0.342 0.000 -0.000 0.000 3/39930 830.0 0.344 0.344 0.338 0.000 -0.000 0.000 3/39930 840.0 0.340 0.340 0.334 0.000 -0.000 0.000 3/39930 850.0 0.336 0.336 0.330 0.000 -0.000 0.000 3/39930 860.0 0.333 0.333 0.326 0.000 -0.000 0.000 3/39930 870.0 0.329 0.329 0.323 0.000 -0.000 0.000 3/39930 880.0 0.325 0.325 0.319 0.000 -0.000 0.000 3/39930 890.0 0.322 0.322 0.316 0.000 -0.000 0.000 3/39930 900.0 0.318 0.318 0.312 0.000 -0.000 0.000 3/39930 910.0 0.315 0.315 0.309 0.000 -0.000 0.000 3/39930 920.0 0.311 0.311 0.306 0.000 -0.000 0.000 3/39930 930.0 0.308 0.308 0.302 0.000 -0.000 0.000 3/39930 940.0 0.305 0.305 0.299 0.000 -0.000 0.000 3/39930 950.0 0.302 0.302 0.296 0.000 -0.000 0.000 3/39930 960.0 0.299 0.299 0.293 0.000 -0.000 0.000 3/39930 970.0 0.296 0.296 0.290 0.000 -0.000 0.000 3/39930 980.0 0.293 0.293 0.287 0.000 -0.000 0.000 3/39930 990.0 0.290 0.290 0.284 0.000 -0.000 0.000 3/39930 1000.0 0.287 0.287 0.281 0.000 -0.000 0.000 3/39930 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:44:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|