----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:13:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.251457415801722 -2.330346580000000 0.000000000000000 b 8.251457415801722 2.330346580000000 0.000000000000000 c -4.567895841881354 0.000000000000000 9.710316344650574 Atomic positions (fractional): *1 Cs 0.18283886166964 0.18283886166964 0.22638009299609 132.905 2 Cs 0.81716113833036 0.81716113833036 0.77361990700391 132.905 *3 Li 0.55142860528101 0.55142860528101 0.79030812059372 6.941 *4 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 5 Li 0.44857139471899 0.44857139471899 0.20969187940628 6.941 *6 I 0.85944731355772 0.85944731355772 0.19818734742318 126.904 *7 I 0.60253882600126 0.60253882600126 0.44200868458596 126.904 8 I 0.39746117399874 0.39746117399874 0.55799131541404 126.904 9 I 0.14055268644228 0.14055268644228 0.80181265257682 126.904 *10 I 0.50000000000000 0.50000000000000 0.00000000000000 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.502914831603444 0.000000000000000 0.000000000000000 b 0.000000000000000 4.660693159999999 0.000000000000000 c -4.567895841881354 0.000000000000000 9.710316344650574 Atomic positions (fractional): *1 Cs 0.68283886166964 0.50000000000000 0.22638009299609 132.905 > 1 2 Cs 0.31716113833036 0.50000000000000 0.77361990700391 132.905 > 2 3 Cs 0.18283886166964 0.00000000000000 0.22638009299609 132.905 > 1 4 Cs 0.81716113833036 0.00000000000000 0.77361990700391 132.905 > 2 *5 Li 0.05142860528101 0.50000000000000 0.79030812059372 6.941 > 3 *6 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 4 7 Li 0.94857139471899 0.50000000000000 0.20969187940628 6.941 > 5 8 Li 0.55142860528101 0.00000000000000 0.79030812059372 6.941 > 3 9 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 4 10 Li 0.44857139471899 0.00000000000000 0.20969187940628 6.941 > 5 *11 I 0.85944731355772 0.00000000000000 0.19818734742318 126.904 > 6 *12 I 0.10253882600126 0.50000000000000 0.44200868458596 126.904 > 7 13 I 0.89746117399874 0.50000000000000 0.55799131541404 126.904 > 8 14 I 0.14055268644228 0.00000000000000 0.80181265257682 126.904 > 9 *15 I 0.00000000000000 0.50000000000000 0.00000000000000 126.904 > 10 16 I 0.35944731355772 0.50000000000000 0.19818734742318 126.904 > 6 17 I 0.60253882600126 0.00000000000000 0.44200868458596 126.904 > 7 18 I 0.39746117399874 0.00000000000000 0.55799131541404 126.904 > 8 19 I 0.64055268644228 0.50000000000000 0.80181265257682 126.904 > 9 20 I 0.50000000000000 0.00000000000000 0.00000000000000 126.904 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.502914831603444 0.000000000000000 0.000000000000000 b 0.000000000000000 13.982079479999998 0.000000000000000 c -9.135791683762708 0.000000000000000 19.420632689301147 Atomic positions (fractional): *1 Cs 0.68283886166964 0.16666666666667 0.11319004649805 132.905 > 1 2 Cs 0.68283886166964 0.50000000000000 0.11319004649805 132.905 > 1 3 Cs 0.68283886166964 0.83333333333333 0.11319004649805 132.905 > 1 4 Cs 0.68283886166964 0.16666666666667 0.61319004649805 132.905 > 1 5 Cs 0.68283886166964 0.50000000000000 0.61319004649805 132.905 > 1 6 Cs 0.68283886166964 0.83333333333333 0.61319004649805 132.905 > 1 7 Cs 0.31716113833036 0.16666666666667 0.38680995350195 132.905 > 2 8 Cs 0.31716113833036 0.50000000000000 0.38680995350195 132.905 > 2 9 Cs 0.31716113833036 0.83333333333333 0.38680995350195 132.905 > 2 10 Cs 0.31716113833036 0.16666666666667 0.88680995350195 132.905 > 2 11 Cs 0.31716113833036 0.50000000000000 0.88680995350195 132.905 > 2 12 Cs 0.31716113833036 0.83333333333333 0.88680995350195 132.905 > 2 13 Cs 0.18283886166964 0.00000000000000 0.11319004649805 132.905 > 1 14 Cs 0.18283886166964 0.33333333333333 0.11319004649805 132.905 > 1 15 Cs 0.18283886166964 0.66666666666667 0.11319004649805 132.905 > 1 16 Cs 0.18283886166964 0.00000000000000 0.61319004649805 132.905 > 1 17 Cs 0.18283886166964 0.33333333333333 0.61319004649805 132.905 > 1 18 Cs 0.18283886166964 0.66666666666667 0.61319004649805 132.905 > 1 19 Cs 0.81716113833036 0.00000000000000 0.38680995350195 132.905 > 2 20 Cs 0.81716113833036 0.33333333333333 0.38680995350195 132.905 > 2 21 Cs 0.81716113833036 0.66666666666667 0.38680995350195 132.905 > 2 22 Cs 0.81716113833036 0.00000000000000 0.88680995350195 132.905 > 2 23 Cs 0.81716113833036 0.33333333333333 0.88680995350195 132.905 > 2 24 Cs 0.81716113833036 0.66666666666667 0.88680995350195 132.905 > 2 *25 Li 0.05142860528101 0.16666666666667 0.39515406029686 6.941 > 3 26 Li 0.05142860528101 0.50000000000000 0.39515406029686 6.941 > 3 27 Li 0.05142860528101 0.83333333333333 0.39515406029686 6.941 > 3 28 Li 0.05142860528101 0.16666666666667 0.89515406029686 6.941 > 3 29 Li 0.05142860528101 0.50000000000000 0.89515406029686 6.941 > 3 30 Li 0.05142860528101 0.83333333333333 0.89515406029686 6.941 > 3 *31 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 4 32 Li 0.00000000000000 0.33333333333333 0.25000000000000 6.941 > 4 33 Li 0.00000000000000 0.66666666666667 0.25000000000000 6.941 > 4 34 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 4 35 Li 0.00000000000000 0.33333333333333 0.75000000000000 6.941 > 4 36 Li 0.00000000000000 0.66666666666667 0.75000000000000 6.941 > 4 37 Li 0.94857139471899 0.16666666666667 0.10484593970314 6.941 > 5 38 Li 0.94857139471899 0.50000000000000 0.10484593970314 6.941 > 5 39 Li 0.94857139471899 0.83333333333333 0.10484593970314 6.941 > 5 40 Li 0.94857139471899 0.16666666666667 0.60484593970314 6.941 > 5 41 Li 0.94857139471899 0.50000000000000 0.60484593970314 6.941 > 5 42 Li 0.94857139471899 0.83333333333333 0.60484593970314 6.941 > 5 43 Li 0.55142860528101 0.00000000000000 0.39515406029686 6.941 > 3 44 Li 0.55142860528101 0.33333333333333 0.39515406029686 6.941 > 3 45 Li 0.55142860528101 0.66666666666667 0.39515406029686 6.941 > 3 46 Li 0.55142860528101 0.00000000000000 0.89515406029686 6.941 > 3 47 Li 0.55142860528101 0.33333333333333 0.89515406029686 6.941 > 3 48 Li 0.55142860528101 0.66666666666667 0.89515406029686 6.941 > 3 49 Li 0.50000000000000 0.16666666666667 0.25000000000000 6.941 > 4 50 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 4 51 Li 0.50000000000000 0.83333333333333 0.25000000000000 6.941 > 4 52 Li 0.50000000000000 0.16666666666667 0.75000000000000 6.941 > 4 53 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 4 54 Li 0.50000000000000 0.83333333333333 0.75000000000000 6.941 > 4 55 Li 0.44857139471899 0.00000000000000 0.10484593970314 6.941 > 5 56 Li 0.44857139471899 0.33333333333333 0.10484593970314 6.941 > 5 57 Li 0.44857139471899 0.66666666666667 0.10484593970314 6.941 > 5 58 Li 0.44857139471899 0.00000000000000 0.60484593970314 6.941 > 5 59 Li 0.44857139471899 0.33333333333333 0.60484593970314 6.941 > 5 60 Li 0.44857139471899 0.66666666666667 0.60484593970314 6.941 > 5 *61 I 0.85944731355772 0.00000000000000 0.09909367371159 126.904 > 6 62 I 0.85944731355772 0.33333333333333 0.09909367371159 126.904 > 6 63 I 0.85944731355772 0.66666666666667 0.09909367371159 126.904 > 6 64 I 0.85944731355772 0.00000000000000 0.59909367371159 126.904 > 6 65 I 0.85944731355772 0.33333333333333 0.59909367371159 126.904 > 6 66 I 0.85944731355772 0.66666666666667 0.59909367371159 126.904 > 6 *67 I 0.10253882600126 0.16666666666667 0.22100434229298 126.904 > 7 68 I 0.10253882600126 0.50000000000000 0.22100434229298 126.904 > 7 69 I 0.10253882600126 0.83333333333333 0.22100434229298 126.904 > 7 70 I 0.10253882600126 0.16666666666667 0.72100434229298 126.904 > 7 71 I 0.10253882600126 0.50000000000000 0.72100434229298 126.904 > 7 72 I 0.10253882600126 0.83333333333333 0.72100434229298 126.904 > 7 73 I 0.89746117399874 0.16666666666667 0.27899565770702 126.904 > 8 74 I 0.89746117399874 0.50000000000000 0.27899565770702 126.904 > 8 75 I 0.89746117399874 0.83333333333333 0.27899565770702 126.904 > 8 76 I 0.89746117399874 0.16666666666667 0.77899565770702 126.904 > 8 77 I 0.89746117399874 0.50000000000000 0.77899565770702 126.904 > 8 78 I 0.89746117399874 0.83333333333333 0.77899565770702 126.904 > 8 79 I 0.14055268644228 0.00000000000000 0.40090632628841 126.904 > 9 80 I 0.14055268644228 0.33333333333333 0.40090632628841 126.904 > 9 81 I 0.14055268644228 0.66666666666667 0.40090632628841 126.904 > 9 82 I 0.14055268644228 0.00000000000000 0.90090632628841 126.904 > 9 83 I 0.14055268644228 0.33333333333333 0.90090632628841 126.904 > 9 84 I 0.14055268644228 0.66666666666667 0.90090632628841 126.904 > 9 *85 I 0.00000000000000 0.16666666666667 0.00000000000000 126.904 > 10 86 I 0.00000000000000 0.50000000000000 0.00000000000000 126.904 > 10 87 I 0.00000000000000 0.83333333333333 0.00000000000000 126.904 > 10 88 I 0.00000000000000 0.16666666666667 0.50000000000000 126.904 > 10 89 I 0.00000000000000 0.50000000000000 0.50000000000000 126.904 > 10 90 I 0.00000000000000 0.83333333333333 0.50000000000000 126.904 > 10 91 I 0.35944731355772 0.16666666666667 0.09909367371159 126.904 > 6 92 I 0.35944731355772 0.50000000000000 0.09909367371159 126.904 > 6 93 I 0.35944731355772 0.83333333333333 0.09909367371159 126.904 > 6 94 I 0.35944731355772 0.16666666666667 0.59909367371159 126.904 > 6 95 I 0.35944731355772 0.50000000000000 0.59909367371159 126.904 > 6 96 I 0.35944731355772 0.83333333333333 0.59909367371159 126.904 > 6 97 I 0.60253882600126 0.00000000000000 0.22100434229298 126.904 > 7 98 I 0.60253882600126 0.33333333333333 0.22100434229298 126.904 > 7 99 I 0.60253882600126 0.66666666666667 0.22100434229298 126.904 > 7 100 I 0.60253882600126 0.00000000000000 0.72100434229298 126.904 > 7 101 I 0.60253882600126 0.33333333333333 0.72100434229298 126.904 > 7 102 I 0.60253882600126 0.66666666666667 0.72100434229298 126.904 > 7 103 I 0.39746117399874 0.00000000000000 0.27899565770702 126.904 > 8 104 I 0.39746117399874 0.33333333333333 0.27899565770702 126.904 > 8 105 I 0.39746117399874 0.66666666666667 0.27899565770702 126.904 > 8 106 I 0.39746117399874 0.00000000000000 0.77899565770702 126.904 > 8 107 I 0.39746117399874 0.33333333333333 0.77899565770702 126.904 > 8 108 I 0.39746117399874 0.66666666666667 0.77899565770702 126.904 > 8 109 I 0.64055268644228 0.16666666666667 0.40090632628841 126.904 > 9 110 I 0.64055268644228 0.50000000000000 0.40090632628841 126.904 > 9 111 I 0.64055268644228 0.83333333333333 0.40090632628841 126.904 > 9 112 I 0.64055268644228 0.16666666666667 0.90090632628841 126.904 > 9 113 I 0.64055268644228 0.50000000000000 0.90090632628841 126.904 > 9 114 I 0.64055268644228 0.83333333333333 0.90090632628841 126.904 > 9 115 I 0.50000000000000 0.00000000000000 0.00000000000000 126.904 > 10 116 I 0.50000000000000 0.33333333333333 0.00000000000000 126.904 > 10 117 I 0.50000000000000 0.66666666666667 0.00000000000000 126.904 > 10 118 I 0.50000000000000 0.00000000000000 0.50000000000000 126.904 > 10 119 I 0.50000000000000 0.33333333333333 0.50000000000000 126.904 > 10 120 I 0.50000000000000 0.66666666666667 0.50000000000000 126.904 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4096021 0.0000000 -0.0359734 0.0000000 3.4320643 0.0000000 -0.0359747 0.0000000 3.4632036 -------------------------- Born effective charges -------------------------- 1 Cs 1.4505282 0.0000000 0.0702239 0.0000000 1.2042304 0.0000000 0.0941244 0.0000000 1.3033866 2 Cs 1.4505282 0.0000000 0.0702239 0.0000000 1.2042304 0.0000000 0.0941244 0.0000000 1.3033866 3 Li 0.9341450 0.0000000 -0.0981958 0.0000000 1.0757209 0.0000000 -0.1273857 0.0000000 1.0284531 4 Li 1.0637645 0.0000000 0.0177798 0.0000000 1.4141160 0.0000000 -0.0193481 0.0000000 1.2201854 5 Li 0.9341450 0.0000000 -0.0981958 0.0000000 1.0757209 0.0000000 -0.1273857 0.0000000 1.0284531 6 I -1.1000282 0.0000000 -0.0502384 0.0000000 -1.3561030 0.0000000 -0.0538076 0.0000000 -1.0306753 7 I -1.2277725 0.0000000 -0.0115517 0.0000000 -1.1848426 0.0000000 -0.0001806 0.0000000 -1.2114466 8 I -1.2277725 0.0000000 -0.0115517 0.0000000 -1.1848426 0.0000000 -0.0001806 0.0000000 -1.2114466 9 I -1.1000282 0.0000000 -0.0502384 0.0000000 -1.3561030 0.0000000 -0.0538076 0.0000000 -1.0306753 10 I -1.1775094 0.0000000 0.1617443 0.0000000 -0.8921273 0.0000000 0.1938471 0.0000000 -1.3996211 ---------------------------------------------------------------------------- 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: 6636/6636 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1532 Number of blocks in projector: 1532 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1532, 1503), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (244, 238), data: True |-- (244, 238), data: True |-- (244, 238), data: True |-- (408, 397), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.278 Solver_block: 200 / 320 - Time: 2.267 Solver_block: 300 / 320 - Time: 2.270 Solver_block: 320 / 320 - Time: 0.550 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.399 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 6636/6636 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1532 Number of blocks in projector: 1532 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1532, 1503), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (244, 238), data: True |-- (244, 238), data: True |-- (244, 238), data: True |-- (408, 397), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:13:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:13:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.251457415801722 -2.330346580000000 0.000000000000000 b 8.251457415801722 2.330346580000000 0.000000000000000 c -4.567895841881354 0.000000000000000 9.710316344650574 Atomic positions (fractional): 1 Cs 0.18283886166964 0.18283886166964 0.22638009299609 132.905 2 Cs 0.81716113833036 0.81716113833036 0.77361990700391 132.905 3 Li 0.55142860528101 0.55142860528101 0.79030812059372 6.941 4 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 5 Li 0.44857139471899 0.44857139471899 0.20969187940628 6.941 6 I 0.85944731355772 0.85944731355772 0.19818734742318 126.904 7 I 0.60253882600126 0.60253882600126 0.44200868458596 126.904 8 I 0.39746117399874 0.39746117399874 0.55799131541404 126.904 9 I 0.14055268644228 0.14055268644228 0.80181265257682 126.904 10 I 0.50000000000000 0.50000000000000 0.00000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.502914831603444 0.000000000000000 0.000000000000000 b 0.000000000000000 13.982079479999998 0.000000000000000 c -9.135791683762708 0.000000000000000 19.420632689301147 Atomic positions (fractional): 1 Cs 0.68283886166964 0.16666666666667 0.11319004649805 132.905 > 1 2 Cs 0.68283886166964 0.50000000000000 0.11319004649805 132.905 > 1 3 Cs 0.68283886166964 0.83333333333333 0.11319004649805 132.905 > 1 4 Cs 0.68283886166964 0.16666666666667 0.61319004649805 132.905 > 1 5 Cs 0.68283886166964 0.50000000000000 0.61319004649805 132.905 > 1 6 Cs 0.68283886166964 0.83333333333333 0.61319004649805 132.905 > 1 7 Cs 0.31716113833036 0.16666666666667 0.38680995350195 132.905 > 7 8 Cs 0.31716113833036 0.50000000000000 0.38680995350195 132.905 > 7 9 Cs 0.31716113833036 0.83333333333333 0.38680995350195 132.905 > 7 10 Cs 0.31716113833036 0.16666666666667 0.88680995350195 132.905 > 7 11 Cs 0.31716113833036 0.50000000000000 0.88680995350195 132.905 > 7 12 Cs 0.31716113833036 0.83333333333333 0.88680995350195 132.905 > 7 13 Cs 0.18283886166964 0.00000000000000 0.11319004649805 132.905 > 1 14 Cs 0.18283886166964 0.33333333333333 0.11319004649805 132.905 > 1 15 Cs 0.18283886166964 0.66666666666667 0.11319004649805 132.905 > 1 16 Cs 0.18283886166964 0.00000000000000 0.61319004649805 132.905 > 1 17 Cs 0.18283886166964 0.33333333333333 0.61319004649805 132.905 > 1 18 Cs 0.18283886166964 0.66666666666667 0.61319004649805 132.905 > 1 19 Cs 0.81716113833036 0.00000000000000 0.38680995350195 132.905 > 7 20 Cs 0.81716113833036 0.33333333333333 0.38680995350195 132.905 > 7 21 Cs 0.81716113833036 0.66666666666667 0.38680995350195 132.905 > 7 22 Cs 0.81716113833036 0.00000000000000 0.88680995350195 132.905 > 7 23 Cs 0.81716113833036 0.33333333333333 0.88680995350195 132.905 > 7 24 Cs 0.81716113833036 0.66666666666667 0.88680995350195 132.905 > 7 25 Li 0.05142860528101 0.16666666666667 0.39515406029686 6.941 > 25 26 Li 0.05142860528101 0.50000000000000 0.39515406029686 6.941 > 25 27 Li 0.05142860528101 0.83333333333333 0.39515406029686 6.941 > 25 28 Li 0.05142860528101 0.16666666666667 0.89515406029686 6.941 > 25 29 Li 0.05142860528101 0.50000000000000 0.89515406029686 6.941 > 25 30 Li 0.05142860528101 0.83333333333333 0.89515406029686 6.941 > 25 31 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 31 32 Li 0.00000000000000 0.33333333333333 0.25000000000000 6.941 > 31 33 Li 0.00000000000000 0.66666666666667 0.25000000000000 6.941 > 31 34 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 31 35 Li 0.00000000000000 0.33333333333333 0.75000000000000 6.941 > 31 36 Li 0.00000000000000 0.66666666666667 0.75000000000000 6.941 > 31 37 Li 0.94857139471899 0.16666666666667 0.10484593970314 6.941 > 37 38 Li 0.94857139471899 0.50000000000000 0.10484593970314 6.941 > 37 39 Li 0.94857139471899 0.83333333333333 0.10484593970314 6.941 > 37 40 Li 0.94857139471899 0.16666666666667 0.60484593970314 6.941 > 37 41 Li 0.94857139471899 0.50000000000000 0.60484593970314 6.941 > 37 42 Li 0.94857139471899 0.83333333333333 0.60484593970314 6.941 > 37 43 Li 0.55142860528101 0.00000000000000 0.39515406029686 6.941 > 25 44 Li 0.55142860528101 0.33333333333333 0.39515406029686 6.941 > 25 45 Li 0.55142860528101 0.66666666666667 0.39515406029686 6.941 > 25 46 Li 0.55142860528101 0.00000000000000 0.89515406029686 6.941 > 25 47 Li 0.55142860528101 0.33333333333333 0.89515406029686 6.941 > 25 48 Li 0.55142860528101 0.66666666666667 0.89515406029686 6.941 > 25 49 Li 0.50000000000000 0.16666666666667 0.25000000000000 6.941 > 31 50 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 31 51 Li 0.50000000000000 0.83333333333333 0.25000000000000 6.941 > 31 52 Li 0.50000000000000 0.16666666666667 0.75000000000000 6.941 > 31 53 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 31 54 Li 0.50000000000000 0.83333333333333 0.75000000000000 6.941 > 31 55 Li 0.44857139471899 0.00000000000000 0.10484593970314 6.941 > 37 56 Li 0.44857139471899 0.33333333333333 0.10484593970314 6.941 > 37 57 Li 0.44857139471899 0.66666666666667 0.10484593970314 6.941 > 37 58 Li 0.44857139471899 0.00000000000000 0.60484593970314 6.941 > 37 59 Li 0.44857139471899 0.33333333333333 0.60484593970314 6.941 > 37 60 Li 0.44857139471899 0.66666666666667 0.60484593970314 6.941 > 37 61 I 0.85944731355772 0.00000000000000 0.09909367371159 126.904 > 61 62 I 0.85944731355772 0.33333333333333 0.09909367371159 126.904 > 61 63 I 0.85944731355772 0.66666666666667 0.09909367371159 126.904 > 61 64 I 0.85944731355772 0.00000000000000 0.59909367371159 126.904 > 61 65 I 0.85944731355772 0.33333333333333 0.59909367371159 126.904 > 61 66 I 0.85944731355772 0.66666666666667 0.59909367371159 126.904 > 61 67 I 0.10253882600126 0.16666666666667 0.22100434229298 126.904 > 67 68 I 0.10253882600126 0.50000000000000 0.22100434229298 126.904 > 67 69 I 0.10253882600126 0.83333333333333 0.22100434229298 126.904 > 67 70 I 0.10253882600126 0.16666666666667 0.72100434229298 126.904 > 67 71 I 0.10253882600126 0.50000000000000 0.72100434229298 126.904 > 67 72 I 0.10253882600126 0.83333333333333 0.72100434229298 126.904 > 67 73 I 0.89746117399874 0.16666666666667 0.27899565770702 126.904 > 73 74 I 0.89746117399874 0.50000000000000 0.27899565770702 126.904 > 73 75 I 0.89746117399874 0.83333333333333 0.27899565770702 126.904 > 73 76 I 0.89746117399874 0.16666666666667 0.77899565770702 126.904 > 73 77 I 0.89746117399874 0.50000000000000 0.77899565770702 126.904 > 73 78 I 0.89746117399874 0.83333333333333 0.77899565770702 126.904 > 73 79 I 0.14055268644228 0.00000000000000 0.40090632628841 126.904 > 79 80 I 0.14055268644228 0.33333333333333 0.40090632628841 126.904 > 79 81 I 0.14055268644228 0.66666666666667 0.40090632628841 126.904 > 79 82 I 0.14055268644228 0.00000000000000 0.90090632628841 126.904 > 79 83 I 0.14055268644228 0.33333333333333 0.90090632628841 126.904 > 79 84 I 0.14055268644228 0.66666666666667 0.90090632628841 126.904 > 79 85 I 0.00000000000000 0.16666666666667 0.00000000000000 126.904 > 85 86 I 0.00000000000000 0.50000000000000 0.00000000000000 126.904 > 85 87 I 0.00000000000000 0.83333333333333 0.00000000000000 126.904 > 85 88 I 0.00000000000000 0.16666666666667 0.50000000000000 126.904 > 85 89 I 0.00000000000000 0.50000000000000 0.50000000000000 126.904 > 85 90 I 0.00000000000000 0.83333333333333 0.50000000000000 126.904 > 85 91 I 0.35944731355772 0.16666666666667 0.09909367371159 126.904 > 61 92 I 0.35944731355772 0.50000000000000 0.09909367371159 126.904 > 61 93 I 0.35944731355772 0.83333333333333 0.09909367371159 126.904 > 61 94 I 0.35944731355772 0.16666666666667 0.59909367371159 126.904 > 61 95 I 0.35944731355772 0.50000000000000 0.59909367371159 126.904 > 61 96 I 0.35944731355772 0.83333333333333 0.59909367371159 126.904 > 61 97 I 0.60253882600126 0.00000000000000 0.22100434229298 126.904 > 67 98 I 0.60253882600126 0.33333333333333 0.22100434229298 126.904 > 67 99 I 0.60253882600126 0.66666666666667 0.22100434229298 126.904 > 67 100 I 0.60253882600126 0.00000000000000 0.72100434229298 126.904 > 67 101 I 0.60253882600126 0.33333333333333 0.72100434229298 126.904 > 67 102 I 0.60253882600126 0.66666666666667 0.72100434229298 126.904 > 67 103 I 0.39746117399874 0.00000000000000 0.27899565770702 126.904 > 73 104 I 0.39746117399874 0.33333333333333 0.27899565770702 126.904 > 73 105 I 0.39746117399874 0.66666666666667 0.27899565770702 126.904 > 73 106 I 0.39746117399874 0.00000000000000 0.77899565770702 126.904 > 73 107 I 0.39746117399874 0.33333333333333 0.77899565770702 126.904 > 73 108 I 0.39746117399874 0.66666666666667 0.77899565770702 126.904 > 73 109 I 0.64055268644228 0.16666666666667 0.40090632628841 126.904 > 79 110 I 0.64055268644228 0.50000000000000 0.40090632628841 126.904 > 79 111 I 0.64055268644228 0.83333333333333 0.40090632628841 126.904 > 79 112 I 0.64055268644228 0.16666666666667 0.90090632628841 126.904 > 79 113 I 0.64055268644228 0.50000000000000 0.90090632628841 126.904 > 79 114 I 0.64055268644228 0.83333333333333 0.90090632628841 126.904 > 79 115 I 0.50000000000000 0.00000000000000 0.00000000000000 126.904 > 85 116 I 0.50000000000000 0.33333333333333 0.00000000000000 126.904 > 85 117 I 0.50000000000000 0.66666666666667 0.00000000000000 126.904 > 85 118 I 0.50000000000000 0.00000000000000 0.50000000000000 126.904 > 85 119 I 0.50000000000000 0.33333333333333 0.50000000000000 126.904 > 85 120 I 0.50000000000000 0.66666666666667 0.50000000000000 126.904 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4096021 0.0000000 -0.0359734 0.0000000 3.4320643 0.0000000 -0.0359747 0.0000000 3.4632036 -------------------------- Born effective charges -------------------------- 1 Cs 1.4505282 0.0000000 0.0702239 0.0000000 1.2042304 0.0000000 0.0941244 0.0000000 1.3033866 2 Cs 1.4505282 0.0000000 0.0702239 0.0000000 1.2042304 0.0000000 0.0941244 0.0000000 1.3033866 3 Li 0.9341450 0.0000000 -0.0981958 0.0000000 1.0757209 0.0000000 -0.1273857 0.0000000 1.0284531 4 Li 1.0637645 0.0000000 0.0177798 0.0000000 1.4141160 0.0000000 -0.0193481 0.0000000 1.2201854 5 Li 0.9341450 0.0000000 -0.0981958 0.0000000 1.0757209 0.0000000 -0.1273857 0.0000000 1.0284531 6 I -1.1000282 0.0000000 -0.0502384 0.0000000 -1.3561030 0.0000000 -0.0538076 0.0000000 -1.0306753 7 I -1.2277725 0.0000000 -0.0115517 0.0000000 -1.1848426 0.0000000 -0.0001806 0.0000000 -1.2114466 8 I -1.2277725 0.0000000 -0.0115517 0.0000000 -1.1848426 0.0000000 -0.0001806 0.0000000 -1.2114466 9 I -1.1000282 0.0000000 -0.0502384 0.0000000 -1.3561030 0.0000000 -0.0538076 0.0000000 -1.0306753 10 I -1.1775094 0.0000000 0.1617443 0.0000000 -0.8921273 0.0000000 0.1938471 0.0000000 -1.3996211 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xzz) 0.00000002 (xzz) 0.00000002 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:14:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:14:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.251457415801722 -2.330346580000000 0.000000000000000 b 8.251457415801722 2.330346580000000 0.000000000000000 c -4.567895841881354 0.000000000000000 9.710316344650574 Atomic positions (fractional): 1 Cs 0.18283886166964 0.18283886166964 0.22638009299609 132.905 2 Cs 0.81716113833036 0.81716113833036 0.77361990700391 132.905 3 Li 0.55142860528101 0.55142860528101 0.79030812059372 6.941 4 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 5 Li 0.44857139471899 0.44857139471899 0.20969187940628 6.941 6 I 0.85944731355772 0.85944731355772 0.19818734742318 126.904 7 I 0.60253882600126 0.60253882600126 0.44200868458596 126.904 8 I 0.39746117399874 0.39746117399874 0.55799131541404 126.904 9 I 0.14055268644228 0.14055268644228 0.80181265257682 126.904 10 I 0.50000000000000 0.50000000000000 0.00000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.502914831603444 0.000000000000000 0.000000000000000 b 0.000000000000000 13.982079479999998 0.000000000000000 c -9.135791683762708 0.000000000000000 19.420632689301147 Atomic positions (fractional): 1 Cs 0.68283886166964 0.16666666666667 0.11319004649805 132.905 > 1 2 Cs 0.68283886166964 0.50000000000000 0.11319004649805 132.905 > 1 3 Cs 0.68283886166964 0.83333333333333 0.11319004649805 132.905 > 1 4 Cs 0.68283886166964 0.16666666666667 0.61319004649805 132.905 > 1 5 Cs 0.68283886166964 0.50000000000000 0.61319004649805 132.905 > 1 6 Cs 0.68283886166964 0.83333333333333 0.61319004649805 132.905 > 1 7 Cs 0.31716113833036 0.16666666666667 0.38680995350195 132.905 > 7 8 Cs 0.31716113833036 0.50000000000000 0.38680995350195 132.905 > 7 9 Cs 0.31716113833036 0.83333333333333 0.38680995350195 132.905 > 7 10 Cs 0.31716113833036 0.16666666666667 0.88680995350195 132.905 > 7 11 Cs 0.31716113833036 0.50000000000000 0.88680995350195 132.905 > 7 12 Cs 0.31716113833036 0.83333333333333 0.88680995350195 132.905 > 7 13 Cs 0.18283886166964 0.00000000000000 0.11319004649805 132.905 > 1 14 Cs 0.18283886166964 0.33333333333333 0.11319004649805 132.905 > 1 15 Cs 0.18283886166964 0.66666666666667 0.11319004649805 132.905 > 1 16 Cs 0.18283886166964 0.00000000000000 0.61319004649805 132.905 > 1 17 Cs 0.18283886166964 0.33333333333333 0.61319004649805 132.905 > 1 18 Cs 0.18283886166964 0.66666666666667 0.61319004649805 132.905 > 1 19 Cs 0.81716113833036 0.00000000000000 0.38680995350195 132.905 > 7 20 Cs 0.81716113833036 0.33333333333333 0.38680995350195 132.905 > 7 21 Cs 0.81716113833036 0.66666666666667 0.38680995350195 132.905 > 7 22 Cs 0.81716113833036 0.00000000000000 0.88680995350195 132.905 > 7 23 Cs 0.81716113833036 0.33333333333333 0.88680995350195 132.905 > 7 24 Cs 0.81716113833036 0.66666666666667 0.88680995350195 132.905 > 7 25 Li 0.05142860528101 0.16666666666667 0.39515406029686 6.941 > 25 26 Li 0.05142860528101 0.50000000000000 0.39515406029686 6.941 > 25 27 Li 0.05142860528101 0.83333333333333 0.39515406029686 6.941 > 25 28 Li 0.05142860528101 0.16666666666667 0.89515406029686 6.941 > 25 29 Li 0.05142860528101 0.50000000000000 0.89515406029686 6.941 > 25 30 Li 0.05142860528101 0.83333333333333 0.89515406029686 6.941 > 25 31 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 31 32 Li 0.00000000000000 0.33333333333333 0.25000000000000 6.941 > 31 33 Li 0.00000000000000 0.66666666666667 0.25000000000000 6.941 > 31 34 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 31 35 Li 0.00000000000000 0.33333333333333 0.75000000000000 6.941 > 31 36 Li 0.00000000000000 0.66666666666667 0.75000000000000 6.941 > 31 37 Li 0.94857139471899 0.16666666666667 0.10484593970314 6.941 > 37 38 Li 0.94857139471899 0.50000000000000 0.10484593970314 6.941 > 37 39 Li 0.94857139471899 0.83333333333333 0.10484593970314 6.941 > 37 40 Li 0.94857139471899 0.16666666666667 0.60484593970314 6.941 > 37 41 Li 0.94857139471899 0.50000000000000 0.60484593970314 6.941 > 37 42 Li 0.94857139471899 0.83333333333333 0.60484593970314 6.941 > 37 43 Li 0.55142860528101 0.00000000000000 0.39515406029686 6.941 > 25 44 Li 0.55142860528101 0.33333333333333 0.39515406029686 6.941 > 25 45 Li 0.55142860528101 0.66666666666667 0.39515406029686 6.941 > 25 46 Li 0.55142860528101 0.00000000000000 0.89515406029686 6.941 > 25 47 Li 0.55142860528101 0.33333333333333 0.89515406029686 6.941 > 25 48 Li 0.55142860528101 0.66666666666667 0.89515406029686 6.941 > 25 49 Li 0.50000000000000 0.16666666666667 0.25000000000000 6.941 > 31 50 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 31 51 Li 0.50000000000000 0.83333333333333 0.25000000000000 6.941 > 31 52 Li 0.50000000000000 0.16666666666667 0.75000000000000 6.941 > 31 53 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 31 54 Li 0.50000000000000 0.83333333333333 0.75000000000000 6.941 > 31 55 Li 0.44857139471899 0.00000000000000 0.10484593970314 6.941 > 37 56 Li 0.44857139471899 0.33333333333333 0.10484593970314 6.941 > 37 57 Li 0.44857139471899 0.66666666666667 0.10484593970314 6.941 > 37 58 Li 0.44857139471899 0.00000000000000 0.60484593970314 6.941 > 37 59 Li 0.44857139471899 0.33333333333333 0.60484593970314 6.941 > 37 60 Li 0.44857139471899 0.66666666666667 0.60484593970314 6.941 > 37 61 I 0.85944731355772 0.00000000000000 0.09909367371159 126.904 > 61 62 I 0.85944731355772 0.33333333333333 0.09909367371159 126.904 > 61 63 I 0.85944731355772 0.66666666666667 0.09909367371159 126.904 > 61 64 I 0.85944731355772 0.00000000000000 0.59909367371159 126.904 > 61 65 I 0.85944731355772 0.33333333333333 0.59909367371159 126.904 > 61 66 I 0.85944731355772 0.66666666666667 0.59909367371159 126.904 > 61 67 I 0.10253882600126 0.16666666666667 0.22100434229298 126.904 > 67 68 I 0.10253882600126 0.50000000000000 0.22100434229298 126.904 > 67 69 I 0.10253882600126 0.83333333333333 0.22100434229298 126.904 > 67 70 I 0.10253882600126 0.16666666666667 0.72100434229298 126.904 > 67 71 I 0.10253882600126 0.50000000000000 0.72100434229298 126.904 > 67 72 I 0.10253882600126 0.83333333333333 0.72100434229298 126.904 > 67 73 I 0.89746117399874 0.16666666666667 0.27899565770702 126.904 > 73 74 I 0.89746117399874 0.50000000000000 0.27899565770702 126.904 > 73 75 I 0.89746117399874 0.83333333333333 0.27899565770702 126.904 > 73 76 I 0.89746117399874 0.16666666666667 0.77899565770702 126.904 > 73 77 I 0.89746117399874 0.50000000000000 0.77899565770702 126.904 > 73 78 I 0.89746117399874 0.83333333333333 0.77899565770702 126.904 > 73 79 I 0.14055268644228 0.00000000000000 0.40090632628841 126.904 > 79 80 I 0.14055268644228 0.33333333333333 0.40090632628841 126.904 > 79 81 I 0.14055268644228 0.66666666666667 0.40090632628841 126.904 > 79 82 I 0.14055268644228 0.00000000000000 0.90090632628841 126.904 > 79 83 I 0.14055268644228 0.33333333333333 0.90090632628841 126.904 > 79 84 I 0.14055268644228 0.66666666666667 0.90090632628841 126.904 > 79 85 I 0.00000000000000 0.16666666666667 0.00000000000000 126.904 > 85 86 I 0.00000000000000 0.50000000000000 0.00000000000000 126.904 > 85 87 I 0.00000000000000 0.83333333333333 0.00000000000000 126.904 > 85 88 I 0.00000000000000 0.16666666666667 0.50000000000000 126.904 > 85 89 I 0.00000000000000 0.50000000000000 0.50000000000000 126.904 > 85 90 I 0.00000000000000 0.83333333333333 0.50000000000000 126.904 > 85 91 I 0.35944731355772 0.16666666666667 0.09909367371159 126.904 > 61 92 I 0.35944731355772 0.50000000000000 0.09909367371159 126.904 > 61 93 I 0.35944731355772 0.83333333333333 0.09909367371159 126.904 > 61 94 I 0.35944731355772 0.16666666666667 0.59909367371159 126.904 > 61 95 I 0.35944731355772 0.50000000000000 0.59909367371159 126.904 > 61 96 I 0.35944731355772 0.83333333333333 0.59909367371159 126.904 > 61 97 I 0.60253882600126 0.00000000000000 0.22100434229298 126.904 > 67 98 I 0.60253882600126 0.33333333333333 0.22100434229298 126.904 > 67 99 I 0.60253882600126 0.66666666666667 0.22100434229298 126.904 > 67 100 I 0.60253882600126 0.00000000000000 0.72100434229298 126.904 > 67 101 I 0.60253882600126 0.33333333333333 0.72100434229298 126.904 > 67 102 I 0.60253882600126 0.66666666666667 0.72100434229298 126.904 > 67 103 I 0.39746117399874 0.00000000000000 0.27899565770702 126.904 > 73 104 I 0.39746117399874 0.33333333333333 0.27899565770702 126.904 > 73 105 I 0.39746117399874 0.66666666666667 0.27899565770702 126.904 > 73 106 I 0.39746117399874 0.00000000000000 0.77899565770702 126.904 > 73 107 I 0.39746117399874 0.33333333333333 0.77899565770702 126.904 > 73 108 I 0.39746117399874 0.66666666666667 0.77899565770702 126.904 > 73 109 I 0.64055268644228 0.16666666666667 0.40090632628841 126.904 > 79 110 I 0.64055268644228 0.50000000000000 0.40090632628841 126.904 > 79 111 I 0.64055268644228 0.83333333333333 0.40090632628841 126.904 > 79 112 I 0.64055268644228 0.16666666666667 0.90090632628841 126.904 > 79 113 I 0.64055268644228 0.50000000000000 0.90090632628841 126.904 > 79 114 I 0.64055268644228 0.83333333333333 0.90090632628841 126.904 > 79 115 I 0.50000000000000 0.00000000000000 0.00000000000000 126.904 > 85 116 I 0.50000000000000 0.33333333333333 0.00000000000000 126.904 > 85 117 I 0.50000000000000 0.66666666666667 0.00000000000000 126.904 > 85 118 I 0.50000000000000 0.00000000000000 0.50000000000000 126.904 > 85 119 I 0.50000000000000 0.33333333333333 0.50000000000000 126.904 > 85 120 I 0.50000000000000 0.66666666666667 0.50000000000000 126.904 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4096021 0.0000000 -0.0359734 0.0000000 3.4320643 0.0000000 -0.0359747 0.0000000 3.4632036 -------------------------- Born effective charges -------------------------- 1 Cs 1.4505282 0.0000000 0.0702239 0.0000000 1.2042304 0.0000000 0.0941244 0.0000000 1.3033866 2 Cs 1.4505282 0.0000000 0.0702239 0.0000000 1.2042304 0.0000000 0.0941244 0.0000000 1.3033866 3 Li 0.9341450 0.0000000 -0.0981958 0.0000000 1.0757209 0.0000000 -0.1273857 0.0000000 1.0284531 4 Li 1.0637645 0.0000000 0.0177798 0.0000000 1.4141160 0.0000000 -0.0193481 0.0000000 1.2201854 5 Li 0.9341450 0.0000000 -0.0981958 0.0000000 1.0757209 0.0000000 -0.1273857 0.0000000 1.0284531 6 I -1.1000282 0.0000000 -0.0502384 0.0000000 -1.3561030 0.0000000 -0.0538076 0.0000000 -1.0306753 7 I -1.2277725 0.0000000 -0.0115517 0.0000000 -1.1848426 0.0000000 -0.0001806 0.0000000 -1.2114466 8 I -1.2277725 0.0000000 -0.0115517 0.0000000 -1.1848426 0.0000000 -0.0001806 0.0000000 -1.2114466 9 I -1.1000282 0.0000000 -0.0502384 0.0000000 -1.3561030 0.0000000 -0.0538076 0.0000000 -1.0306753 10 I -1.1775094 0.0000000 0.1617443 0.0000000 -0.8921273 0.0000000 0.1938471 0.0000000 -1.3996211 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xzz) 0.00000002 (xzz) 0.00000002 (xzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 5 ] 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: 0.58, Number of G-points: 297, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/168) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.847 ( 0.000 0.000 0.000) 0.000 0.876 ( 0.000 0.000 0.000) 0.000 0.991 ( 0.000 0.000 0.000) 0.000 1.102 ( 0.000 0.000 0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.290 ( 0.000 0.000 0.000) 0.000 1.344 ( 0.000 0.000 0.000) 0.000 1.475 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.429 ( 0.000 0.000 0.000) 0.000 8.511 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 9.254 ( 0.000 0.000 0.000) 0.000 9.339 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/168) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.243 ( 1.176 -11.956 -0.057) 12.013 0.258 ( -5.134 -14.116 3.049) 15.327 0.449 ( 12.107 -18.109 2.362) 21.911 0.830 ( -2.037 -0.143 0.791) 2.190 0.956 ( 0.279 -5.732 -2.469) 6.248 0.985 ( 0.797 1.487 1.008) 1.966 1.060 ( 0.138 2.054 0.266) 2.076 1.208 ( -2.076 -3.053 -1.651) 4.044 1.310 ( 1.460 -0.867 2.081) 2.686 1.338 ( -1.378 0.132 1.661) 2.162 1.530 ( -3.951 -0.398 -0.990) 4.092 1.564 ( -3.120 -0.055 -2.394) 3.933 1.610 ( 2.021 -1.830 -0.040) 2.727 1.614 ( 1.119 -0.331 1.977) 2.296 1.672 ( 1.624 -2.304 -2.761) 3.946 1.915 ( 3.607 -0.270 2.122) 4.194 1.940 ( -1.233 -3.182 -0.790) 3.502 2.093 ( -0.734 0.917 -0.806) 1.424 2.236 ( 1.748 1.911 0.812) 2.715 2.323 ( 0.294 2.125 -0.109) 2.148 2.511 ( 0.188 -0.950 0.340) 1.027 4.252 ( -16.378 -6.206 -16.677) 24.184 4.582 ( -1.030 0.412 14.667) 14.709 5.071 ( 2.945 10.205 -2.453) 10.901 8.177 ( 0.573 4.384 -0.352) 4.435 8.614 ( 0.016 -8.443 -0.044) 8.443 8.754 ( 0.262 2.235 0.541) 2.315 9.043 ( -29.697 -10.850 -14.152) 34.640 9.244 ( 0.054 0.632 -2.293) 2.379 9.469 ( 23.794 11.576 13.872) 29.876 ======================= Grid point 2 (3/168) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 0.920 -10.851 0.498) 10.902 0.505 ( -6.248 -13.506 2.581) 15.103 0.791 ( 6.593 -6.325 -0.250) 9.140 0.836 ( -4.396 -2.295 -0.646) 5.001 0.935 ( 2.343 -1.786 -1.736) 3.419 1.084 ( 3.395 -3.158 0.684) 4.687 1.105 ( 0.243 -6.575 1.529) 6.755 1.233 ( -3.463 -2.968 -2.668) 5.284 1.298 ( -1.479 1.509 1.253) 2.457 1.376 ( 2.718 -1.872 4.335) 5.449 1.459 ( -2.225 3.034 -2.102) 4.310 1.596 ( -1.380 -2.320 1.574) 3.124 1.620 ( 1.066 -0.356 0.411) 1.197 1.671 ( 1.843 -1.423 -1.020) 2.542 1.749 ( -1.857 -6.437 -2.667) 7.211 1.940 ( 1.655 -0.230 -1.037) 1.966 1.997 ( 1.461 -1.712 2.175) 3.130 2.068 ( -1.162 0.315 -1.241) 1.729 2.201 ( -0.736 1.244 -1.105) 1.819 2.282 ( 0.381 2.208 0.489) 2.293 2.549 ( 0.182 -2.857 0.435) 2.895 4.147 ( -0.431 11.714 -0.353) 11.727 4.649 ( -5.730 -7.317 -3.385) 9.891 4.832 ( 0.807 13.458 2.673) 13.744 8.097 ( 0.640 4.004 -0.301) 4.066 8.686 ( 0.197 4.312 -0.176) 4.320 8.772 ( 0.037 -5.366 0.510) 5.390 9.070 ( -11.637 -6.592 -5.064) 14.301 9.224 ( -0.137 0.515 -3.243) 3.287 9.413 ( 7.878 5.117 8.841) 12.900 ======================= Grid point 3 (4/168) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -0.394 -6.592 0.052) 6.604 0.704 ( -6.855 -8.473 -0.810) 10.929 0.780 ( -2.100 -0.744 0.671) 2.327 0.883 ( -2.398 -5.113 -2.984) 6.387 1.031 ( 2.996 -1.214 0.638) 3.295 1.139 ( -4.139 -0.845 3.232) 5.318 1.203 ( -0.793 -3.327 -2.018) 3.972 1.291 ( 2.348 -1.792 0.338) 2.973 1.349 ( 4.248 -5.806 0.047) 7.194 1.403 ( 1.392 1.614 0.578) 2.208 1.458 ( 3.355 -5.063 3.819) 7.174 1.586 ( 2.524 2.886 3.112) 4.938 1.645 ( -1.332 -0.302 -1.075) 1.738 1.719 ( -1.132 -4.451 -2.751) 5.353 1.824 ( -2.550 -1.234 -2.474) 3.761 1.934 ( 0.838 0.064 -2.634) 2.765 2.012 ( 1.565 0.657 0.812) 1.881 2.090 ( -1.013 -2.750 0.544) 2.981 2.195 ( 0.166 -0.215 0.827) 0.870 2.251 ( -1.094 -0.103 -0.569) 1.237 2.624 ( 0.288 -4.391 0.346) 4.414 3.757 ( 1.783 27.874 0.400) 27.934 4.627 ( 1.029 6.868 0.020) 6.945 4.768 ( -6.670 -7.077 0.388) 9.732 8.024 ( 0.336 3.795 -0.275) 3.820 8.586 ( 0.082 5.565 0.082) 5.566 8.800 ( 0.053 1.842 -0.486) 1.905 9.140 ( -5.316 -4.884 -0.491) 7.236 9.213 ( -1.517 -0.913 -3.380) 3.816 9.435 ( 3.994 -2.215 6.315) 7.794 ======================= Grid point 4 (5/168) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -1.579 2.357 -3.463) 4.477 0.807 ( -2.163 -5.002 0.487) 5.471 0.865 ( -5.673 -6.063 -0.887) 8.351 0.997 ( -0.336 -5.770 -1.214) 5.906 1.035 ( -1.013 -0.047 3.431) 3.577 1.140 ( -2.039 -0.789 2.758) 3.519 1.225 ( -2.628 -1.617 -1.626) 3.488 1.316 ( 1.648 1.328 -0.696) 2.228 1.414 ( 4.041 1.465 2.830) 5.146 1.430 ( 3.284 -2.353 0.503) 4.071 1.537 ( 3.052 3.043 1.908) 4.713 1.605 ( 0.896 -0.736 -1.621) 1.993 1.663 ( 0.846 -5.880 -0.054) 5.941 1.770 ( 1.451 0.685 -3.092) 3.484 1.792 ( -4.880 -2.177 -1.344) 5.510 1.937 ( 1.738 0.053 -0.470) 1.801 2.009 ( 1.737 1.440 2.107) 3.087 2.128 ( -1.856 -0.474 -0.521) 1.986 2.188 ( -1.079 -0.844 -0.121) 1.375 2.297 ( -0.202 -3.827 0.066) 3.832 2.711 ( 0.270 -3.963 0.161) 3.976 3.171 ( 0.441 29.797 0.024) 29.800 4.545 ( 0.428 2.727 1.495) 3.139 4.852 ( -4.587 -4.428 -0.029) 6.376 7.953 ( -0.093 3.323 -0.189) 3.330 8.485 ( -0.044 4.421 -0.059) 4.422 8.745 ( 0.187 2.929 -0.345) 2.955 9.178 ( -1.634 -1.322 1.261) 2.452 9.223 ( -2.700 -1.845 -2.740) 4.267 9.546 ( 2.661 -4.674 3.786) 6.577 ======================= Grid point 5 (6/168) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -0.577 1.016 -1.354) 1.789 0.871 ( -1.048 -2.511 -1.012) 2.903 0.919 ( -1.395 -1.390 0.208) 1.980 1.004 ( -1.104 0.183 0.955) 1.471 1.109 ( 0.103 -2.251 0.885) 2.421 1.157 ( -1.664 -1.384 1.381) 2.567 1.244 ( 0.392 -1.406 -0.562) 1.564 1.286 ( -0.991 1.748 -0.123) 2.013 1.397 ( 1.780 0.953 0.181) 2.028 1.464 ( 0.467 0.276 0.815) 0.979 1.490 ( 2.124 2.926 0.593) 3.665 1.594 ( -0.299 0.286 -2.193) 2.231 1.707 ( -0.478 -0.470 -1.089) 1.279 1.794 ( 0.413 0.007 -0.523) 0.666 1.843 ( -0.027 -4.470 0.380) 4.486 1.947 ( 2.908 1.338 2.327) 3.957 2.000 ( -0.192 -0.921 -0.357) 1.006 2.083 ( -2.105 2.416 -0.965) 3.346 2.217 ( -0.263 -1.264 -0.077) 1.294 2.358 ( -0.015 -1.873 0.094) 1.875 2.725 ( -0.158 12.313 0.038) 12.314 2.771 ( 0.051 -1.022 -0.044) 1.024 4.518 ( 0.118 0.713 0.660) 0.978 4.890 ( -1.688 -1.387 0.099) 2.187 7.903 ( -0.131 1.402 -0.063) 1.409 8.423 ( -0.027 1.656 -0.077) 1.658 8.704 ( 0.072 1.103 -0.100) 1.110 9.191 ( -0.319 -0.352 0.529) 0.711 9.233 ( -1.143 -0.695 -0.870) 1.595 9.632 ( 0.964 -1.993 1.278) 2.556 ======================= Grid point 12 (7/168) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.144 ( 13.437 0.000 -0.628) 13.452 0.174 ( 13.437 0.000 4.640) 14.216 0.275 ( 19.261 0.000 11.415) 22.389 0.846 ( 0.812 0.000 -1.954) 2.116 0.886 ( -8.570 -0.000 8.470) 12.050 1.029 ( 4.025 0.000 1.632) 4.343 1.090 ( -1.587 -0.000 -0.862) 1.806 1.126 ( -1.604 -0.000 -1.410) 2.135 1.295 ( -0.714 -0.000 3.327) 3.403 1.342 ( 0.131 0.000 -1.803) 1.808 1.468 ( -0.803 -0.000 -1.021) 1.299 1.564 ( -7.824 -0.000 -5.201) 9.395 1.586 ( -2.161 -0.000 -1.956) 2.915 1.601 ( -0.598 -0.000 -0.932) 1.108 1.729 ( 6.253 0.000 -6.253) 8.843 1.818 ( 0.946 0.000 0.368) 1.015 1.963 ( 6.542 0.000 2.782) 7.108 2.107 ( 0.010 0.000 0.309) 0.309 2.299 ( -5.915 -0.000 -3.123) 6.689 2.451 ( 2.649 0.000 -1.628) 3.109 2.597 ( 1.060 0.000 0.836) 1.350 3.267 ( 0.192 0.000 0.115) 0.224 4.728 ( -17.785 -0.000 37.588) 41.583 5.199 ( 10.998 0.000 -16.696) 19.993 8.242 ( 2.825 0.000 -4.377) 5.209 8.429 ( 0.057 0.000 0.012) 0.058 8.511 ( 0.029 0.000 0.005) 0.029 8.780 ( 0.580 0.000 0.994) 1.151 9.247 ( -0.940 -0.000 -0.788) 1.227 9.924 ( 0.656 0.000 -2.004) 2.108 ======================= Grid point 13 (8/168) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( 2.593 -7.534 5.040) 9.428 0.331 ( 8.386 -7.999 3.570) 12.127 0.622 ( 14.618 -14.192 4.154) 20.793 0.799 ( -4.201 1.093 1.490) 4.590 0.940 ( 0.638 -3.000 -5.068) 5.923 1.002 ( -0.136 0.179 2.878) 2.887 1.068 ( 1.261 -0.493 -0.451) 1.427 1.165 ( -3.393 -2.084 -2.013) 4.462 1.317 ( -3.680 0.843 1.420) 4.034 1.348 ( 1.441 -2.796 4.187) 5.237 1.472 ( -4.468 -0.405 -1.543) 4.744 1.524 ( -3.434 0.103 -0.400) 3.459 1.586 ( -2.879 -5.092 -3.287) 6.710 1.625 ( 1.084 -2.052 -1.119) 2.577 1.707 ( 4.672 1.331 -1.004) 4.960 1.911 ( -1.431 -3.814 -2.387) 4.722 1.996 ( 5.855 0.347 4.723) 7.531 2.083 ( -0.104 1.691 -0.883) 1.911 2.222 ( -3.760 2.182 -2.690) 5.112 2.355 ( 4.421 4.942 1.133) 6.727 2.518 ( 0.423 -0.381 1.244) 1.368 3.954 ( -17.934 -28.354 -13.133) 36.029 4.624 ( -3.859 6.861 12.304) 14.607 5.106 ( 5.205 10.854 -1.902) 12.187 8.186 ( 1.306 4.508 -0.613) 4.733 8.615 ( 0.159 -8.302 -0.078) 8.304 8.732 ( -11.949 -13.253 -5.711) 18.736 8.774 ( -1.927 -2.723 0.190) 3.341 9.228 ( -1.242 0.820 -1.628) 2.206 9.692 ( 8.797 15.040 6.064) 18.449 ======================= Grid point 14 (9/168) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -3.887 -11.443 3.026) 12.458 0.538 ( 4.643 -7.824 3.847) 9.878 0.781 ( -4.730 -1.622 -0.350) 5.012 0.827 ( 1.694 2.039 -3.145) 4.113 0.972 ( 4.690 -6.696 -1.223) 8.266 1.092 ( -3.694 -1.854 0.597) 4.176 1.130 ( 2.876 -4.887 0.731) 5.717 1.207 ( -0.083 -6.529 0.396) 6.541 1.284 ( -0.569 -0.252 -0.133) 0.636 1.422 ( 0.166 -1.125 2.164) 2.445 1.439 ( 0.726 -0.351 2.379) 2.512 1.568 ( -3.652 -5.354 0.367) 6.491 1.619 ( -1.347 -0.310 -1.626) 2.134 1.700 ( 3.194 1.186 0.582) 3.457 1.725 ( 0.297 -6.146 -2.862) 6.786 1.934 ( -0.239 0.019 -2.874) 2.884 2.037 ( 2.049 0.139 2.325) 3.103 2.050 ( -0.205 -0.144 -1.506) 1.527 2.177 ( -2.172 -0.213 -0.845) 2.340 2.293 ( 1.068 3.586 0.471) 3.771 2.555 ( 0.354 -2.789 0.695) 2.896 4.136 ( -1.083 4.081 -0.725) 4.284 4.553 ( -7.422 -3.988 -3.414) 9.091 4.864 ( 1.803 14.173 3.676) 14.752 8.105 ( 0.992 4.242 -0.407) 4.375 8.688 ( 0.278 4.038 -0.139) 4.049 8.774 ( -0.161 -4.771 0.165) 4.777 8.938 ( -8.017 -10.794 -2.717) 13.717 9.201 ( -1.550 0.519 -2.115) 2.673 9.522 ( 4.558 7.439 6.626) 10.955 ======================= Grid point 15 (10/168) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -6.012 -9.073 0.288) 10.887 0.658 ( -0.392 -2.301 0.947) 2.519 0.764 ( -1.616 -0.175 0.229) 1.642 0.856 ( 0.192 -6.527 -1.673) 6.740 1.055 ( 0.293 0.266 1.218) 1.281 1.101 ( -3.846 -2.772 0.275) 4.749 1.165 ( -4.116 -1.178 -1.116) 4.425 1.323 ( 3.084 -3.667 0.301) 4.801 1.377 ( 1.377 -2.189 -1.607) 3.045 1.466 ( 6.781 -2.742 3.404) 8.068 1.512 ( 2.736 -5.826 3.709) 7.428 1.591 ( -1.354 0.965 -2.129) 2.701 1.656 ( -0.251 -1.749 3.264) 3.711 1.686 ( -0.829 -1.084 -2.712) 3.036 1.786 ( -0.731 0.230 -3.002) 3.098 1.938 ( 1.847 -1.111 -1.417) 2.579 2.023 ( 0.488 -0.469 -1.741) 1.868 2.085 ( -0.852 -1.818 1.376) 2.434 2.196 ( -0.743 -0.519 0.720) 1.157 2.236 ( -0.929 0.500 -0.330) 1.105 2.630 ( 0.364 -4.297 0.365) 4.328 3.784 ( 2.646 28.968 0.532) 29.094 4.626 ( -1.342 0.440 -3.415) 3.696 4.698 ( -6.034 -2.502 4.220) 7.777 8.026 ( 0.394 4.109 -0.327) 4.141 8.587 ( -0.003 5.709 0.105) 5.710 8.800 ( 0.532 1.755 -0.573) 1.921 9.079 ( -4.828 -7.258 -0.625) 8.739 9.183 ( -1.824 -0.238 -1.630) 2.458 9.504 ( 2.860 -1.544 5.418) 6.318 ======================= Grid point 16 (11/168) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -1.080 1.570 -2.220) 2.925 0.777 ( -3.406 -5.962 0.297) 6.872 0.810 ( -3.287 -5.407 -0.454) 6.344 0.992 ( 0.296 -4.926 -0.627) 4.975 1.035 ( -2.307 -0.571 3.317) 4.080 1.131 ( -2.013 -1.416 0.764) 2.577 1.188 ( -2.309 -2.979 -0.415) 3.791 1.327 ( 0.974 1.905 -0.395) 2.176 1.451 ( 1.432 -1.538 0.642) 2.197 1.470 ( 3.331 2.395 -0.980) 4.218 1.573 ( 2.501 0.697 -0.825) 2.724 1.630 ( 3.833 3.954 3.979) 6.794 1.674 ( -0.495 -2.522 -1.863) 3.174 1.726 ( -3.568 -5.508 -0.653) 6.595 1.784 ( 2.321 -1.895 -0.881) 3.123 1.950 ( 1.330 -0.297 -0.564) 1.475 2.039 ( 1.454 1.390 0.660) 2.117 2.100 ( -2.291 0.397 -0.279) 2.341 2.174 ( -1.266 -1.327 -0.388) 1.875 2.294 ( -0.344 -4.166 0.280) 4.190 2.715 ( 0.228 -3.854 0.071) 3.861 3.177 ( 0.606 30.781 -0.014) 30.787 4.559 ( 0.590 3.130 1.759) 3.638 4.796 ( -5.193 -6.399 -0.076) 8.242 7.951 ( -0.119 3.446 -0.195) 3.453 8.484 ( -0.133 4.450 -0.081) 4.453 8.747 ( 0.414 3.029 -0.292) 3.071 9.163 ( -2.121 -3.381 0.952) 4.104 9.185 ( -1.957 -1.587 -1.847) 3.124 9.592 ( 2.191 -3.524 3.337) 5.325 ======================= Grid point 17 (12/168) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.285 0.088 -0.068) 0.306 0.851 ( -1.279 -3.647 -1.510) 4.149 0.894 ( -2.743 -3.749 -0.665) 4.693 0.993 ( -1.392 -0.056 -0.031) 1.393 1.113 ( -0.178 -2.425 0.529) 2.488 1.146 ( -1.696 -1.863 1.452) 2.908 1.232 ( -1.518 -1.877 -0.050) 2.415 1.288 ( 1.647 2.245 -0.641) 2.857 1.420 ( 2.032 1.781 -0.601) 2.769 1.466 ( -0.117 0.884 -0.544) 1.045 1.532 ( 3.698 5.553 2.427) 7.099 1.602 ( 1.170 0.124 2.709) 2.953 1.695 ( -0.156 -1.700 -1.786) 2.470 1.779 ( -1.891 -1.289 -0.696) 2.392 1.850 ( 1.178 -2.291 -1.465) 2.964 1.960 ( -1.751 3.888 -1.148) 4.416 2.002 ( 0.737 -2.209 0.735) 2.442 2.074 ( 0.723 1.093 1.328) 1.866 2.210 ( -0.723 -1.750 -0.427) 1.941 2.358 ( -0.014 -1.880 0.093) 1.882 2.724 ( -0.083 12.537 -0.012) 12.537 2.771 ( -0.027 -1.236 -0.105) 1.241 4.523 ( 0.211 1.244 0.764) 1.475 4.871 ( -1.670 -3.288 -0.032) 3.688 7.901 ( -0.125 1.251 -0.052) 1.258 8.422 ( -0.092 1.573 -0.081) 1.577 8.705 ( 0.126 1.170 -0.077) 1.180 9.186 ( -0.659 -0.606 -0.216) 0.922 9.221 ( -0.614 -2.156 0.002) 2.241 9.649 ( 0.821 -0.403 1.063) 1.403 ======================= Grid point 18 (13/168) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 1.082 -1.864 2.004) 2.943 0.882 ( 0.352 0.938 0.251) 1.033 0.923 ( 0.289 -1.398 -1.270) 1.911 1.007 ( 0.315 -1.232 -1.276) 1.802 1.105 ( -0.040 2.663 -0.289) 2.679 1.169 ( 1.564 0.918 -1.008) 2.075 1.228 ( -2.605 -0.866 0.689) 2.831 1.299 ( 1.295 -1.644 -1.044) 2.339 1.393 ( 0.748 2.659 0.887) 2.901 1.449 ( -0.362 1.862 -2.447) 3.096 1.478 ( -0.774 -0.659 1.028) 1.446 1.630 ( 2.347 -0.014 5.158) 5.667 1.717 ( 0.481 -0.910 1.232) 1.605 1.773 ( -2.882 1.457 -0.283) 3.242 1.848 ( 0.974 2.873 -0.894) 3.162 1.886 ( -4.167 -2.072 -4.859) 6.728 2.013 ( 1.013 1.808 1.748) 2.711 2.113 ( 1.918 -2.587 1.011) 3.376 2.217 ( -0.168 0.628 -0.223) 0.687 2.358 ( -0.002 1.916 -0.066) 1.917 2.727 ( 0.167 -11.920 -0.069) 11.922 2.771 ( -0.089 0.646 -0.010) 0.652 4.514 ( -0.024 -0.227 -0.397) 0.458 4.906 ( 1.210 -0.339 -0.158) 1.266 7.904 ( 0.096 -1.538 0.052) 1.542 8.424 ( -0.031 -1.730 0.051) 1.731 8.704 ( -0.005 -1.081 0.091) 1.084 9.190 ( 0.080 -0.033 -0.688) 0.694 9.251 ( 1.111 -0.716 1.052) 1.689 9.616 ( -0.808 3.698 -1.093) 3.940 ======================= Grid point 19 (14/168) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 1.331 -3.060 3.060) 4.527 0.820 ( 1.152 5.623 -1.215) 5.867 0.931 ( 4.722 3.146 1.561) 5.884 1.008 ( -0.371 3.197 1.612) 3.599 1.026 ( 0.732 3.083 -2.672) 4.145 1.154 ( 3.516 0.087 -3.146) 4.718 1.243 ( -1.957 -0.498 1.616) 2.586 1.306 ( -0.473 1.617 1.318) 2.140 1.360 ( -2.363 0.078 -2.332) 3.321 1.391 ( -2.557 1.505 -1.616) 3.378 1.504 ( -1.345 -1.919 -0.887) 2.506 1.585 ( -2.623 6.963 -0.243) 7.445 1.680 ( 2.186 2.031 0.752) 3.077 1.777 ( -0.752 -0.386 4.809) 4.882 1.840 ( 2.710 -0.330 0.377) 2.756 1.908 ( -2.415 -2.640 -2.326) 4.268 1.994 ( -0.013 0.408 0.042) 0.410 2.145 ( 0.837 1.030 0.252) 1.351 2.197 ( 0.517 0.850 -0.269) 1.030 2.298 ( 0.088 3.369 0.094) 3.371 2.708 ( -0.192 4.030 -0.144) 4.037 3.167 ( -0.213 -29.075 -0.028) 29.076 4.535 ( -0.225 -2.389 -0.852) 2.547 4.893 ( 2.670 2.889 0.016) 3.934 7.954 ( 0.048 -3.223 0.117) 3.226 8.485 ( -0.007 -4.392 0.029) 4.393 8.745 ( -0.020 -2.953 0.246) 2.963 9.187 ( 0.872 0.345 -0.804) 1.236 9.267 ( 2.366 0.634 2.425) 3.447 9.499 ( -2.274 6.415 -3.029) 7.450 ======================= Grid point 20 (15/168) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.109 9.255 -0.002) 9.255 0.763 ( 1.977 -1.122 1.050) 2.503 0.810 ( 3.351 10.011 -0.626) 10.575 0.927 ( 2.178 4.132 2.557) 5.325 0.989 ( -2.959 2.060 -1.319) 3.839 1.146 ( 0.054 4.478 -2.136) 4.961 1.211 ( -0.072 2.765 1.017) 2.947 1.264 ( -1.702 0.298 -0.197) 1.739 1.330 ( 0.701 1.393 -0.018) 1.559 1.401 ( -1.092 2.825 -0.099) 3.031 1.410 ( -1.143 0.901 -0.996) 1.764 1.545 ( -1.648 -2.701 -1.704) 3.594 1.662 ( 0.675 1.735 0.172) 1.870 1.741 ( 0.480 3.798 1.664) 4.174 1.855 ( 1.332 1.888 0.738) 2.426 1.938 ( -0.581 -0.742 1.023) 1.391 1.994 ( -0.620 -0.426 -0.554) 0.934 2.098 ( 0.509 2.773 -0.003) 2.819 2.188 ( -0.253 -0.181 -0.440) 0.539 2.262 ( 0.447 0.382 0.250) 0.639 2.620 ( -0.114 4.429 -0.148) 4.433 3.742 ( -0.626 -27.312 -0.148) 27.320 4.618 ( -0.395 -7.050 -0.224) 7.065 4.820 ( 2.523 6.004 0.125) 6.514 8.022 ( -0.134 -3.605 0.109) 3.609 8.585 ( -0.041 -5.477 -0.028) 5.478 8.803 ( 0.043 -1.884 0.194) 1.895 9.183 ( 2.028 0.622 -0.464) 2.171 9.264 ( 3.459 2.452 5.762) 7.154 9.354 ( -4.424 4.190 -6.217) 8.705 ======================= Grid point 21 (16/168) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 0.000 11.159 0.000) 11.159 0.560 ( 0.000 13.999 0.000) 13.999 0.733 ( 0.000 11.509 0.000) 11.509 0.868 ( 0.000 2.848 0.000) 2.848 0.928 ( -0.000 -1.352 -0.000) 1.352 1.061 ( 0.000 2.147 0.000) 2.147 1.097 ( 0.000 7.357 0.000) 7.357 1.281 ( 0.000 3.834 0.000) 3.834 1.292 ( -0.000 -1.664 -0.000) 1.664 1.341 ( -0.000 -0.028 -0.000) 0.028 1.485 ( -0.000 -4.017 -0.000) 4.017 1.581 ( -0.000 -1.632 -0.000) 1.632 1.623 ( 0.000 2.014 0.000) 2.014 1.662 ( 0.000 4.314 0.000) 4.314 1.773 ( 0.000 6.056 0.000) 6.056 1.924 ( 0.000 1.412 0.000) 1.412 1.987 ( 0.000 1.297 0.000) 1.297 2.080 ( -0.000 -0.489 -0.000) 0.489 2.206 ( -0.000 -1.353 -0.000) 1.353 2.279 ( -0.000 -1.868 -0.000) 1.868 2.546 ( 0.000 2.867 0.000) 2.867 4.150 ( -0.000 -14.260 -0.000) 14.260 4.693 ( 0.000 7.494 0.000) 7.494 4.820 ( -0.000 -13.297 -0.000) 13.297 8.094 ( -0.000 -3.913 -0.000) 3.913 8.685 ( -0.000 -4.521 -0.000) 4.521 8.770 ( 0.000 5.838 0.000) 5.838 9.191 ( -0.000 -0.487 -0.000) 0.487 9.258 ( -0.000 -0.494 -0.000) 0.494 9.279 ( 0.000 0.694 0.000) 0.694 ======================= Grid point 24 (17/168) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 13.450 0.000 -0.321) 13.454 0.342 ( 12.807 0.000 4.425) 13.550 0.536 ( 17.663 0.000 9.578) 20.093 0.838 ( -6.152 -0.000 5.327) 8.138 0.846 ( 1.710 0.000 -3.456) 3.856 1.060 ( -2.975 -0.000 -0.618) 3.039 1.073 ( 2.286 0.000 -0.205) 2.295 1.094 ( -2.497 -0.000 -0.680) 2.588 1.304 ( -1.527 -0.000 4.301) 4.564 1.317 ( -3.481 -0.000 -2.759) 4.442 1.445 ( -2.407 -0.000 -0.999) 2.606 1.459 ( -5.789 -0.000 -2.973) 6.508 1.555 ( -1.528 -0.000 -1.114) 1.891 1.591 ( 0.315 0.000 -1.701) 1.730 1.757 ( 2.815 0.000 -2.826) 3.989 1.833 ( 1.205 0.000 0.513) 1.309 2.048 ( 4.729 0.000 3.811) 6.074 2.110 ( 0.274 0.000 -0.676) 0.730 2.205 ( -6.625 -0.000 -3.494) 7.490 2.470 ( 3.116 0.000 -3.271) 4.518 2.612 ( -0.147 -0.000 2.673) 2.678 3.271 ( 0.323 0.000 0.193) 0.377 4.726 ( -7.956 -0.000 16.535) 18.350 5.248 ( 7.535 0.000 -4.178) 8.616 8.254 ( 1.959 0.000 -1.266) 2.333 8.430 ( 0.095 0.000 0.020) 0.097 8.512 ( 0.049 0.000 0.008) 0.049 8.795 ( 0.866 0.000 1.754) 1.956 9.226 ( -1.646 -0.000 -1.529) 2.247 9.920 ( -0.178 -0.000 -0.720) 0.742 ======================= Grid point 25 (18/168) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 9.710 0.131 3.825) 10.437 0.457 ( 10.246 -5.127 4.341) 12.252 0.758 ( -3.793 0.376 1.855) 4.239 0.792 ( 10.827 -7.476 2.611) 13.414 0.921 ( 0.986 -0.082 -5.201) 5.294 1.011 ( -0.180 -3.940 3.036) 4.977 1.070 ( -1.387 0.076 -0.013) 1.389 1.125 ( -1.621 -2.790 -1.347) 3.496 1.266 ( -6.317 -0.164 0.431) 6.334 1.387 ( 2.072 -3.958 3.065) 5.418 1.423 ( -3.514 -0.196 -0.173) 3.524 1.471 ( -5.262 -3.044 0.005) 6.079 1.557 ( 0.133 -2.527 -2.316) 3.430 1.629 ( 1.400 -3.307 -1.868) 4.048 1.742 ( 2.204 1.277 -0.976) 2.727 1.889 ( -0.767 -3.139 -1.130) 3.424 2.066 ( 2.068 1.103 1.419) 2.740 2.072 ( -1.267 1.806 -3.377) 4.034 2.168 ( -1.922 0.650 0.975) 2.251 2.404 ( 3.877 6.672 -0.970) 7.777 2.531 ( 0.238 0.439 2.182) 2.239 3.753 ( -10.036 -30.334 -6.345) 32.575 4.636 ( -3.007 7.906 7.557) 11.343 5.162 ( 5.390 11.517 0.643) 12.732 8.199 ( 1.462 4.678 -0.355) 4.914 8.608 ( -5.779 -13.581 -2.928) 15.047 8.618 ( 0.270 -8.360 0.259) 8.369 8.788 ( 0.755 1.347 2.164) 2.659 9.201 ( -1.941 0.937 -1.940) 2.900 9.770 ( 2.637 12.045 2.859) 12.658 ======================= Grid point 26 (19/168) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 1.637 -6.303 3.715) 7.497 0.623 ( 6.199 -4.220 5.187) 9.118 0.731 ( -3.660 -1.655 -0.629) 4.066 0.821 ( 0.668 3.166 -2.231) 3.930 0.988 ( -0.177 -5.571 -4.517) 7.174 1.053 ( -2.574 -0.858 1.324) 3.019 1.131 ( -4.272 -0.547 0.655) 4.356 1.221 ( 2.235 -7.275 1.430) 7.744 1.305 ( 3.969 -6.970 -1.382) 8.139 1.414 ( -1.973 -0.843 2.477) 3.277 1.484 ( 2.969 -3.854 2.857) 5.642 1.528 ( -3.645 -4.444 1.098) 5.852 1.592 ( -0.955 -0.941 -2.422) 2.769 1.718 ( 1.139 -2.589 -3.825) 4.757 1.732 ( 1.345 -1.660 1.538) 2.633 1.922 ( 0.441 -0.950 -1.033) 1.471 2.025 ( -0.893 0.633 -4.990) 5.108 2.061 ( -0.306 -0.013 0.892) 0.943 2.165 ( -0.423 -0.489 2.815) 2.888 2.305 ( 0.882 4.857 -0.397) 4.952 2.563 ( 0.460 -2.640 0.753) 2.783 4.115 ( -1.825 -7.206 -0.992) 7.500 4.466 ( -5.575 4.561 -1.931) 7.458 4.906 ( 2.240 15.267 3.674) 15.862 8.114 ( 0.992 4.552 -0.321) 4.670 8.687 ( -0.548 3.346 -0.084) 3.392 8.771 ( 0.467 -5.560 -1.214) 5.710 8.868 ( -4.194 -10.236 0.766) 11.089 9.169 ( -2.185 0.390 -1.900) 2.922 9.587 ( 2.155 7.604 4.627) 9.158 ======================= Grid point 27 (20/168) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -3.320 -5.863 0.131) 6.739 0.668 ( -0.050 -0.676 3.887) 3.946 0.748 ( -0.173 -0.575 -1.197) 1.339 0.872 ( 2.781 -6.492 0.359) 7.071 1.044 ( -4.048 1.109 2.874) 5.087 1.056 ( -3.118 -3.987 -4.391) 6.700 1.120 ( -2.979 -2.378 0.566) 3.853 1.355 ( 2.192 -1.041 -0.233) 2.438 1.379 ( 0.910 -4.283 -0.987) 4.489 1.538 ( 1.913 1.069 -0.299) 2.212 1.554 ( 1.746 -7.509 1.790) 7.915 1.587 ( 2.160 -1.133 -0.211) 2.448 1.600 ( -4.077 -4.846 -1.112) 6.430 1.712 ( 1.777 0.596 0.982) 2.116 1.788 ( 2.081 0.400 0.944) 2.320 1.960 ( 2.730 -1.140 0.197) 2.965 2.007 ( -0.865 -1.635 -3.522) 3.978 2.079 ( -1.059 -1.530 0.335) 1.891 2.184 ( -1.965 0.284 0.224) 1.998 2.231 ( -0.030 0.624 0.505) 0.803 2.635 ( 0.345 -4.142 0.269) 4.165 3.818 ( 2.920 30.586 0.505) 30.729 4.555 ( -6.451 -11.186 -2.955) 13.247 4.693 ( -0.550 7.146 3.918) 8.168 8.029 ( 0.323 4.444 -0.269) 4.463 8.586 ( -0.155 5.798 0.079) 5.801 8.807 ( 1.099 1.828 -0.493) 2.189 9.031 ( -3.530 -8.047 -0.008) 8.787 9.154 ( -1.958 -0.525 -1.058) 2.286 9.554 ( 1.766 -1.469 3.964) 4.581 ======================= Grid point 28 (21/168) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -0.803 0.115 -1.057) 1.332 0.748 ( -2.542 -5.332 2.060) 6.256 0.787 ( -0.251 -3.745 -0.835) 3.845 0.986 ( -1.907 -0.543 -0.689) 2.099 1.022 ( -0.908 -4.714 0.243) 4.806 1.100 ( -2.961 -2.506 -0.118) 3.881 1.179 ( -0.821 -3.483 1.887) 4.046 1.341 ( 2.602 1.706 -0.601) 3.169 1.463 ( 0.753 -1.174 -0.289) 1.425 1.484 ( 0.469 2.801 -1.498) 3.211 1.581 ( -1.572 -1.147 -2.707) 3.334 1.639 ( -0.429 -0.316 0.940) 1.080 1.702 ( 2.281 -0.457 1.671) 2.864 1.719 ( 2.289 -0.634 2.319) 3.319 1.814 ( 3.297 -2.721 0.416) 4.295 1.962 ( 1.100 -0.368 -0.109) 1.165 2.019 ( -3.668 2.094 -2.770) 5.051 2.099 ( 1.260 -0.238 1.009) 1.632 2.158 ( -1.336 -1.622 -0.246) 2.116 2.292 ( -0.343 -4.356 0.336) 4.383 2.717 ( 0.134 -3.722 -0.013) 3.724 3.183 ( 0.559 31.743 -0.044) 31.748 4.575 ( 0.670 3.552 1.522) 3.922 4.742 ( -4.250 -8.276 -0.174) 9.305 7.948 ( -0.102 3.550 -0.142) 3.555 8.482 ( -0.162 4.462 -0.073) 4.466 8.750 ( 0.457 3.260 -0.177) 3.297 9.144 ( -1.650 -5.130 -0.066) 5.389 9.162 ( -1.234 -1.171 -0.352) 1.737 9.627 ( 1.398 -2.865 2.245) 3.899 ======================= Grid point 29 (22/168) ======================= q-point: ( 0.64 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 0.589 -0.680 0.530) 1.045 0.831 ( -0.772 -4.279 -1.245) 4.523 0.862 ( -2.204 -3.997 -0.226) 4.570 0.974 ( -1.285 -0.837 -0.917) 1.787 1.110 ( -0.456 -2.622 -0.127) 2.665 1.138 ( -0.842 -2.913 1.038) 3.205 1.218 ( -1.044 -0.309 0.151) 1.100 1.310 ( 2.301 2.734 -0.303) 3.587 1.435 ( 1.093 1.343 0.040) 1.732 1.458 ( -0.541 0.896 -0.917) 1.392 1.580 ( 2.691 5.778 1.240) 6.493 1.626 ( -1.031 -3.351 3.523) 4.970 1.707 ( 4.107 0.834 0.278) 4.200 1.755 ( -1.487 -1.636 -0.672) 2.311 1.845 ( -0.656 0.649 -2.563) 2.724 1.915 ( -3.336 4.221 -2.071) 5.765 2.021 ( 1.128 -3.290 1.202) 3.680 2.096 ( 1.219 0.740 1.264) 1.906 2.199 ( -0.744 -2.023 -0.476) 2.207 2.359 ( -0.002 -1.911 0.057) 1.912 2.723 ( -0.022 12.612 -0.028) 12.612 2.770 ( -0.051 -1.310 -0.093) 1.314 4.529 ( 0.183 1.680 0.536) 1.773 4.855 ( -1.057 -4.781 -0.085) 4.898 7.900 ( -0.076 1.135 -0.029) 1.138 8.421 ( -0.085 1.507 -0.052) 1.510 8.706 ( 0.099 1.246 -0.041) 1.251 9.178 ( -0.505 -0.904 -0.368) 1.099 9.218 ( -0.226 -3.052 0.275) 3.073 9.660 ( 0.468 0.682 0.593) 1.018 ======================= Grid point 30 (23/168) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.575 -2.373 1.013) 2.644 0.883 ( -0.030 -0.230 -0.053) 0.238 0.919 ( 0.114 -3.103 -0.711) 3.185 1.001 ( -0.177 -2.301 -0.680) 2.406 1.105 ( 0.020 3.062 0.016) 3.062 1.182 ( 1.562 0.691 -0.693) 1.843 1.203 ( -2.258 -1.580 0.680) 2.838 1.304 ( 0.602 -1.689 -0.792) 1.960 1.407 ( -0.095 2.910 1.692) 3.368 1.439 ( 0.732 4.346 -2.048) 4.860 1.477 ( -0.139 1.357 0.535) 1.465 1.683 ( 2.100 3.069 2.990) 4.772 1.740 ( -2.173 0.235 0.495) 2.241 1.741 ( 2.319 -1.899 2.546) 3.933 1.809 ( -4.307 -2.575 -5.187) 7.217 1.855 ( 0.517 1.254 -0.765) 1.557 2.031 ( 0.592 2.064 0.935) 2.341 2.131 ( 0.715 -2.312 0.349) 2.445 2.213 ( -0.177 0.105 -0.170) 0.267 2.357 ( -0.006 1.970 -0.023) 1.970 2.728 ( 0.070 -11.550 -0.037) 11.550 2.770 ( -0.042 0.288 -0.012) 0.291 4.513 ( 0.004 0.071 -0.126) 0.144 4.914 ( 0.435 -1.366 -0.076) 1.436 7.905 ( 0.035 -1.618 0.021) 1.618 8.424 ( -0.023 -1.772 0.017) 1.772 8.705 ( 0.010 -1.089 0.038) 1.090 9.187 ( 0.008 -0.319 -0.290) 0.431 9.265 ( 0.458 -1.652 0.457) 1.774 9.605 ( -0.324 4.878 -0.442) 4.909 ======================= Grid point 31 (24/168) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -0.000 -3.504 -0.000) 3.504 0.822 ( 0.000 6.195 0.000) 6.195 0.971 ( -0.000 -1.856 -0.000) 1.856 0.998 ( 0.000 4.751 0.000) 4.751 1.027 ( 0.000 4.630 0.000) 4.630 1.177 ( -0.000 -1.737 -0.000) 1.737 1.218 ( 0.000 1.235 0.000) 1.235 1.311 ( 0.000 3.291 0.000) 3.291 1.342 ( 0.000 0.747 0.000) 0.747 1.369 ( 0.000 0.203 0.000) 0.203 1.496 ( -0.000 -1.534 -0.000) 1.534 1.567 ( 0.000 8.413 0.000) 8.413 1.695 ( 0.000 1.477 0.000) 1.477 1.792 ( 0.000 0.790 0.000) 0.790 1.856 ( -0.000 -1.006 -0.000) 1.006 1.881 ( -0.000 -4.895 -0.000) 4.895 1.997 ( 0.000 1.220 0.000) 1.220 2.150 ( 0.000 1.088 0.000) 1.088 2.199 ( 0.000 1.077 0.000) 1.077 2.299 ( 0.000 3.121 0.000) 3.121 2.706 ( 0.000 4.052 0.000) 4.052 3.166 ( -0.000 -28.811 -0.000) 28.811 4.531 ( -0.000 -2.256 -0.000) 2.256 4.908 ( 0.000 2.304 0.000) 2.304 7.955 ( -0.000 -3.185 -0.000) 3.185 8.485 ( -0.000 -4.381 -0.000) 4.381 8.746 ( -0.000 -2.984 -0.000) 2.984 9.189 ( 0.000 0.044 0.000) 0.044 9.289 ( -0.000 -0.531 -0.000) 0.531 9.476 ( 0.000 7.726 0.000) 7.726 ======================= Grid point 36 (25/168) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 13.060 0.000 -0.114) 13.061 0.499 ( 11.562 0.000 4.015) 12.239 0.711 ( 3.725 0.000 1.574) 4.044 0.849 ( 2.637 0.000 -4.229) 4.984 0.851 ( 6.250 0.000 8.807) 10.799 1.020 ( -4.067 -0.000 0.278) 4.077 1.047 ( -2.158 -0.000 -3.656) 4.245 1.093 ( -0.762 -0.000 2.638) 2.746 1.229 ( -9.223 -0.000 -2.041) 9.446 1.299 ( -2.926 -0.000 2.329) 3.740 1.412 ( -2.842 -0.000 0.588) 2.902 1.429 ( 2.350 0.000 -2.243) 3.248 1.542 ( -0.977 -0.000 1.163) 1.518 1.591 ( 1.282 0.000 -1.925) 2.313 1.761 ( 0.009 0.000 -1.616) 1.616 1.848 ( 0.984 0.000 0.475) 1.093 2.044 ( -7.653 -0.000 -8.121) 11.159 2.091 ( 0.908 0.000 2.009) 2.205 2.192 ( 2.881 0.000 3.841) 4.801 2.488 ( 3.547 0.000 -3.764) 5.172 2.617 ( -1.489 -0.000 2.643) 3.033 3.276 ( 0.351 0.000 0.210) 0.409 4.724 ( -4.313 -0.000 8.782) 9.784 5.316 ( 6.308 0.000 0.292) 6.315 8.270 ( 1.644 0.000 -0.065) 1.645 8.432 ( 0.104 0.000 0.022) 0.106 8.512 ( 0.053 0.000 0.009) 0.054 8.815 ( 0.743 0.000 2.030) 2.161 9.197 ( -1.864 -0.000 -1.989) 2.726 9.913 ( -0.487 -0.000 -0.260) 0.552 ======================= Grid point 37 (26/168) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 10.757 3.029 2.184) 11.386 0.585 ( 8.594 -3.739 2.499) 9.699 0.729 ( -2.305 1.039 2.958) 3.892 0.863 ( 1.764 -2.002 -2.696) 3.794 0.907 ( 0.328 1.955 -3.286) 3.837 1.041 ( -1.346 1.957 0.348) 2.401 1.057 ( 2.085 -7.093 2.660) 7.857 1.115 ( 0.603 -4.496 1.306) 4.721 1.188 ( -7.296 -3.095 0.002) 7.925 1.381 ( -4.051 -2.654 1.081) 4.962 1.412 ( -1.428 -5.531 2.096) 6.085 1.451 ( 3.753 -0.789 -1.280) 4.043 1.554 ( -0.035 -1.375 0.838) 1.611 1.637 ( 1.726 -3.807 -2.125) 4.689 1.743 ( -0.889 0.867 -0.618) 1.387 1.884 ( 0.231 -2.395 0.033) 2.407 1.982 ( -6.654 -0.691 -8.227) 10.603 2.085 ( 0.410 1.316 1.094) 1.760 2.201 ( 2.708 1.667 4.240) 5.300 2.431 ( 2.892 7.229 -2.490) 8.174 2.543 ( -0.315 0.583 2.334) 2.426 3.649 ( -5.115 -27.514 -2.859) 28.131 4.640 ( -1.844 8.108 4.335) 9.377 5.225 ( 4.584 12.260 1.834) 13.217 8.213 ( 1.232 4.890 -0.040) 5.043 8.554 ( -2.567 -10.555 -1.055) 10.913 8.624 ( 0.579 -8.697 0.131) 8.717 8.806 ( 0.478 1.508 2.120) 2.645 9.168 ( -1.939 1.098 -1.996) 2.991 9.797 ( 0.638 9.961 1.549) 10.101 ======================= Grid point 38 (27/168) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 4.062 -1.323 2.305) 4.855 0.692 ( -2.783 0.392 1.352) 3.119 0.721 ( 5.927 -2.728 3.358) 7.338 0.831 ( 2.403 0.821 0.222) 2.549 0.943 ( -1.737 -3.756 -5.227) 6.667 1.041 ( -1.608 -1.484 1.036) 2.421 1.064 ( -7.113 0.491 -0.049) 7.131 1.254 ( 1.702 -6.839 1.156) 7.142 1.317 ( -0.487 -7.220 -2.709) 7.727 1.420 ( 0.555 -4.218 3.367) 5.425 1.485 ( -1.615 -3.312 -0.996) 3.817 1.545 ( 2.493 -3.609 1.185) 4.544 1.584 ( 1.274 -1.040 0.356) 1.683 1.704 ( -0.437 -1.361 -2.702) 3.057 1.754 ( 1.403 -3.721 2.205) 4.547 1.928 ( -0.137 -2.065 -0.179) 2.077 1.973 ( -1.972 -2.654 -5.839) 6.710 2.060 ( -0.261 1.120 0.379) 1.211 2.185 ( 0.425 1.648 3.435) 3.834 2.308 ( 0.484 5.482 -1.057) 5.603 2.572 ( 0.399 -2.481 0.588) 2.581 4.089 ( -1.877 -17.307 -0.867) 17.430 4.413 ( -2.911 13.682 -0.694) 14.006 4.946 ( 1.839 16.352 2.730) 16.680 8.122 ( 0.714 4.849 -0.170) 4.904 8.675 ( -1.252 1.014 -0.176) 1.620 8.778 ( 2.156 -5.783 -1.905) 6.460 8.841 ( -2.729 -7.487 2.575) 8.374 9.137 ( -1.925 0.283 -1.555) 2.490 9.622 ( 0.868 7.129 2.781) 7.702 ======================= Grid point 39 (28/168) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -1.296 -2.925 -0.227) 3.207 0.683 ( -1.013 -1.137 2.940) 3.310 0.769 ( 4.308 0.332 1.613) 4.612 0.906 ( 2.256 -5.362 -0.173) 5.820 0.974 ( -5.594 -0.160 -4.214) 7.005 1.027 ( -1.744 -2.859 1.787) 3.796 1.097 ( -2.378 -4.013 0.776) 4.729 1.371 ( 2.504 -0.657 -1.582) 3.034 1.392 ( 1.176 -5.648 0.298) 5.777 1.495 ( -5.935 -1.267 -1.966) 6.380 1.557 ( 0.447 0.973 -1.939) 2.216 1.577 ( 0.692 -6.156 1.493) 6.373 1.655 ( 4.376 -3.478 1.894) 5.903 1.718 ( -0.366 -1.387 -0.581) 1.548 1.836 ( 3.639 -0.696 4.219) 5.615 1.966 ( -2.804 -2.507 -4.330) 5.735 1.993 ( 2.220 0.551 0.858) 2.443 2.074 ( 0.490 -2.636 -0.350) 2.704 2.157 ( -2.741 1.373 -0.339) 3.085 2.237 ( 0.297 0.620 0.666) 0.957 2.639 ( 0.216 -3.982 0.136) 3.990 3.849 ( 2.096 32.474 0.315) 32.543 4.480 ( -4.566 -14.769 -1.343) 15.517 4.708 ( 0.145 8.823 1.995) 9.046 8.031 ( 0.177 4.697 -0.146) 4.703 8.585 ( -0.167 5.788 0.037) 5.790 8.817 ( 1.035 2.195 -0.308) 2.446 9.001 ( -1.984 -8.406 0.274) 8.641 9.131 ( -1.286 -0.949 -0.623) 1.715 9.584 ( 0.831 -1.581 2.096) 2.754 ======================= Grid point 40 (29/168) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -0.421 -1.372 -0.348) 1.477 0.738 ( -0.878 -4.025 0.876) 4.212 0.796 ( 1.246 -1.389 0.689) 1.989 0.946 ( -2.605 -0.858 -1.594) 3.173 1.022 ( 0.381 -5.421 -0.379) 5.448 1.078 ( -1.077 -2.854 0.475) 3.087 1.178 ( -0.583 -3.724 0.962) 3.890 1.381 ( 4.123 2.018 0.491) 4.617 1.458 ( -2.960 0.242 -1.691) 3.418 1.468 ( -0.106 -0.293 0.058) 0.317 1.543 ( -1.209 -1.967 -1.140) 2.575 1.664 ( 2.042 0.745 1.604) 2.702 1.695 ( -1.124 -2.590 -1.387) 3.145 1.769 ( 1.611 -0.486 2.033) 2.639 1.868 ( 5.147 0.364 2.678) 5.814 1.944 ( -4.609 1.159 -3.988) 6.204 1.978 ( -0.226 0.752 0.449) 0.904 2.118 ( 1.319 -0.326 0.092) 1.362 2.143 ( -1.168 -2.206 0.057) 2.497 2.291 ( -0.139 -4.406 0.155) 4.411 2.718 ( 0.042 -3.625 -0.019) 3.626 3.188 ( 0.231 32.350 -0.025) 32.350 4.587 ( 0.390 4.114 0.658) 4.184 4.707 ( -1.741 -9.719 -0.141) 9.875 7.947 ( -0.040 3.609 -0.052) 3.610 8.480 ( -0.073 4.461 -0.030) 4.462 8.754 ( 0.200 3.465 -0.058) 3.471 9.131 ( -0.563 -5.423 -0.110) 5.453 9.152 ( -0.477 -1.614 -0.005) 1.684 9.645 ( 0.477 -2.569 0.789) 2.729 ======================= Grid point 41 (30/168) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -0.000 -1.019 -0.000) 1.019 0.824 ( -0.000 -4.554 -0.000) 4.554 0.848 ( -0.000 -3.524 -0.000) 3.524 0.963 ( -0.000 -1.458 -0.000) 1.458 1.107 ( -0.000 -2.805 -0.000) 2.805 1.137 ( -0.000 -3.217 -0.000) 3.217 1.212 ( 0.000 0.179 0.000) 0.179 1.324 ( 0.000 3.630 0.000) 3.630 1.446 ( 0.000 0.864 0.000) 0.864 1.447 ( 0.000 0.831 0.000) 0.831 1.599 ( 0.000 5.668 0.000) 5.668 1.625 ( -0.000 -5.967 -0.000) 5.967 1.744 ( -0.000 -1.517 -0.000) 1.517 1.755 ( 0.000 1.747 0.000) 1.747 1.814 ( 0.000 4.653 0.000) 4.653 1.891 ( 0.000 2.028 0.000) 2.028 2.031 ( -0.000 -3.424 -0.000) 3.424 2.107 ( 0.000 0.719 0.000) 0.719 2.192 ( -0.000 -2.107 -0.000) 2.107 2.359 ( -0.000 -1.927 -0.000) 1.927 2.723 ( 0.000 12.621 0.000) 12.621 2.770 ( -0.000 -1.320 -0.000) 1.320 4.532 ( 0.000 1.856 0.000) 1.856 4.849 ( -0.000 -5.355 -0.000) 5.355 7.899 ( 0.000 1.091 0.000) 1.091 8.420 ( 0.000 1.482 0.000) 1.482 8.706 ( 0.000 1.279 0.000) 1.279 9.174 ( -0.000 -1.035 -0.000) 1.035 9.217 ( -0.000 -3.346 -0.000) 3.346 9.664 ( 0.000 1.065 0.000) 1.065 ======================= Grid point 48 (31/168) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 9.165 0.000 -1.002) 9.219 0.634 ( 9.130 0.000 3.237) 9.686 0.704 ( -0.090 -0.000 0.011) 0.090 0.861 ( 3.443 0.000 -4.185) 5.419 0.970 ( 3.826 0.000 2.903) 4.803 0.975 ( -4.833 -0.000 1.188) 4.977 1.004 ( -3.687 -0.000 -1.437) 3.957 1.102 ( -4.311 -0.000 -4.160) 5.991 1.147 ( 1.765 0.000 8.996) 9.168 1.263 ( -4.033 -0.000 -0.160) 4.036 1.395 ( -1.520 -0.000 1.845) 2.390 1.465 ( 5.725 0.000 -3.087) 6.504 1.541 ( -1.717 -0.000 3.586) 3.976 1.597 ( 1.246 0.000 -1.446) 1.908 1.743 ( -2.026 -0.000 -0.174) 2.033 1.859 ( 0.601 0.000 0.327) 0.684 1.906 ( -8.358 -0.000 -9.191) 12.423 2.105 ( 0.424 0.000 1.128) 1.205 2.246 ( 2.641 0.000 3.330) 4.250 2.510 ( 4.014 0.000 -3.634) 5.415 2.607 ( -2.726 -0.000 2.353) 3.601 3.280 ( 0.267 0.000 0.160) 0.312 4.722 ( -2.210 -0.000 4.442) 4.961 5.382 ( 4.493 0.000 1.479) 4.730 8.287 ( 1.182 0.000 0.351) 1.233 8.433 ( 0.079 0.000 0.017) 0.081 8.513 ( 0.040 0.000 0.007) 0.041 8.831 ( 0.372 0.000 1.633) 1.675 9.168 ( -1.446 -0.000 -1.774) 2.288 9.907 ( -0.466 -0.000 -0.068) 0.470 ======================= Grid point 49 (32/168) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 8.492 4.653 0.842) 9.720 0.632 ( -0.060 -2.169 -0.579) 2.246 0.772 ( 5.481 -1.018 4.547) 7.194 0.841 ( -1.972 1.975 -2.447) 3.712 0.898 ( 0.054 -0.781 -1.579) 1.762 1.023 ( -1.579 2.336 -1.775) 3.332 1.043 ( -3.362 -1.527 0.616) 3.743 1.122 ( -3.490 -9.173 -0.849) 9.852 1.158 ( 0.868 -2.688 3.075) 4.176 1.366 ( 0.139 -3.665 3.063) 4.778 1.407 ( -0.138 -4.788 -0.044) 4.790 1.495 ( 4.477 -0.942 -1.924) 4.964 1.563 ( -0.236 -1.832 3.079) 3.590 1.641 ( 0.873 -3.513 -1.890) 4.083 1.731 ( -1.168 -0.172 2.130) 2.435 1.858 ( -6.372 -2.033 -7.466) 10.023 1.894 ( 0.071 -2.852 -0.606) 2.917 2.093 ( 0.287 1.566 0.536) 1.680 2.245 ( 1.606 2.028 2.724) 3.756 2.445 ( 1.794 8.219 -2.155) 8.684 2.548 ( -0.542 -0.169 1.537) 1.639 3.600 ( -2.199 -25.234 -1.111) 25.354 4.641 ( -0.855 8.124 1.986) 8.407 5.275 ( 2.683 12.882 1.416) 13.234 8.224 ( 0.708 5.083 0.074) 5.132 8.532 ( -1.016 -8.932 -0.367) 8.998 8.630 ( 0.461 -9.157 0.117) 9.169 8.819 ( 0.135 1.618 1.326) 2.096 9.141 ( -1.200 1.276 -1.337) 2.204 9.806 ( 0.067 8.898 0.727) 8.928 ======================= Grid point 50 (33/168) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 2.040 1.981 0.573) 2.901 0.672 ( -1.074 -0.902 0.140) 1.410 0.785 ( 2.034 -1.450 2.600) 3.605 0.875 ( 3.851 -0.628 1.441) 4.159 0.910 ( -0.237 -1.479 -3.908) 4.185 0.994 ( -4.488 -0.762 0.364) 4.567 1.023 ( -1.910 -0.760 0.279) 2.074 1.267 ( 0.081 -6.827 0.726) 6.866 1.289 ( -1.134 -7.867 -1.913) 8.175 1.447 ( 0.936 -4.475 2.721) 5.321 1.468 ( -0.423 -1.526 -1.746) 2.357 1.556 ( 0.408 -2.190 -0.593) 2.305 1.611 ( 1.202 -2.410 0.622) 2.764 1.693 ( 0.120 -1.803 -0.405) 1.851 1.793 ( 2.859 -4.556 3.867) 6.624 1.876 ( -4.380 -4.016 -4.846) 7.668 1.963 ( 0.868 -4.108 -0.366) 4.214 2.060 ( -0.019 1.671 0.104) 1.675 2.202 ( 0.098 3.364 1.445) 3.663 2.307 ( 0.165 5.537 -0.616) 5.574 2.577 ( 0.157 -2.393 0.222) 2.408 4.070 ( -0.795 -22.372 -0.336) 22.389 4.391 ( -0.848 18.562 -0.138) 18.581 4.971 ( 0.710 17.027 1.011) 17.072 8.127 ( 0.259 5.034 -0.048) 5.041 8.663 ( -0.550 -0.525 -0.087) 0.766 8.793 ( 1.928 -5.658 -1.510) 6.166 8.828 ( -1.839 -5.825 1.942) 6.410 9.115 ( -0.776 0.243 -0.638) 1.034 9.637 ( 0.223 6.757 0.935) 6.825 ======================= Grid point 51 (34/168) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -0.000 -1.869 -0.000) 1.869 0.683 ( -0.000 -1.457 -0.000) 1.457 0.829 ( 0.000 3.045 0.000) 3.045 0.882 ( -0.000 -4.940 -0.000) 4.940 0.941 ( -0.000 -1.972 -0.000) 1.972 1.026 ( -0.000 -2.350 -0.000) 2.350 1.081 ( -0.000 -5.324 -0.000) 5.324 1.393 ( -0.000 -5.528 -0.000) 5.528 1.399 ( -0.000 -3.753 -0.000) 3.753 1.443 ( 0.000 1.427 0.000) 1.427 1.555 ( 0.000 1.460 0.000) 1.460 1.585 ( -0.000 -6.388 -0.000) 6.388 1.693 ( -0.000 -5.439 -0.000) 5.439 1.706 ( 0.000 0.614 0.000) 0.614 1.898 ( -0.000 -0.394 -0.000) 0.394 1.908 ( -0.000 -3.776 -0.000) 3.776 2.009 ( 0.000 1.345 0.000) 1.345 2.082 ( -0.000 -4.325 -0.000) 4.325 2.134 ( 0.000 2.677 0.000) 2.677 2.241 ( 0.000 0.661 0.000) 0.661 2.641 ( -0.000 -3.914 -0.000) 3.914 3.863 ( 0.000 33.459 0.000) 33.459 4.450 ( -0.000 -16.102 -0.000) 16.102 4.714 ( 0.000 9.212 0.000) 9.212 8.031 ( 0.000 4.792 0.000) 4.792 8.584 ( 0.000 5.765 0.000) 5.765 8.823 ( 0.000 2.464 0.000) 2.464 8.990 ( -0.000 -8.580 -0.000) 8.580 9.122 ( -0.000 -1.144 -0.000) 1.144 9.594 ( -0.000 -1.643 -0.000) 1.643 ======================= Grid point 61 (35/168) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -0.046 -0.000 -1.363) 1.363 0.722 ( 3.930 0.000 1.462) 4.193 0.767 ( 8.106 0.000 1.340) 8.216 0.883 ( 4.161 0.000 -3.131) 5.208 0.928 ( -4.949 -0.000 1.859) 5.287 0.932 ( -7.502 -0.000 -1.159) 7.591 0.986 ( -0.008 -0.000 0.078) 0.079 1.035 ( -2.541 -0.000 -0.759) 2.652 1.224 ( -2.035 -0.000 -0.381) 2.071 1.258 ( 5.649 0.000 4.476) 7.208 1.392 ( -0.443 -0.000 0.850) 0.958 1.509 ( 5.010 0.000 -4.100) 6.474 1.537 ( -3.063 -0.000 4.850) 5.736 1.602 ( 0.493 0.000 -0.527) 0.722 1.724 ( -1.803 -0.000 1.935) 2.645 1.786 ( -4.212 -0.000 -6.806) 8.004 1.864 ( 0.198 0.000 0.116) 0.230 2.113 ( 0.180 0.000 0.387) 0.427 2.278 ( 0.891 0.000 1.266) 1.549 2.536 ( 3.134 0.000 -2.337) 3.910 2.585 ( -2.663 -0.000 1.762) 3.193 3.283 ( 0.100 0.000 0.060) 0.116 4.721 ( -0.682 -0.000 1.366) 1.527 5.423 ( 1.654 0.000 0.722) 1.805 8.298 ( 0.441 0.000 0.197) 0.483 8.433 ( 0.030 0.000 0.006) 0.030 8.513 ( 0.015 0.000 0.003) 0.015 8.839 ( 0.080 0.000 0.624) 0.629 9.150 ( -0.535 -0.000 -0.721) 0.898 9.903 ( -0.189 -0.000 -0.008) 0.189 ======================= Grid point 62 (36/168) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -0.000 -2.795 -0.000) 2.795 0.643 ( 0.000 6.696 0.000) 6.696 0.818 ( 0.000 1.415 0.000) 1.415 0.833 ( -0.000 -0.122 -0.000) 0.122 0.888 ( -0.000 -2.559 -0.000) 2.559 0.992 ( 0.000 1.826 0.000) 1.826 1.037 ( -0.000 -0.348 -0.000) 0.348 1.098 ( -0.000 -9.823 -0.000) 9.823 1.164 ( -0.000 -1.668 -0.000) 1.668 1.386 ( -0.000 -0.914 -0.000) 0.914 1.408 ( -0.000 -6.839 -0.000) 6.839 1.515 ( -0.000 -0.308 -0.000) 0.308 1.573 ( -0.000 -2.429 -0.000) 2.429 1.640 ( -0.000 -3.115 -0.000) 3.115 1.756 ( -0.000 -3.757 -0.000) 3.757 1.767 ( -0.000 -0.630 -0.000) 0.630 1.896 ( -0.000 -2.836 -0.000) 2.836 2.096 ( 0.000 1.651 0.000) 1.651 2.261 ( 0.000 2.082 0.000) 2.082 2.449 ( 0.000 8.870 0.000) 8.870 2.549 ( -0.000 -0.718 -0.000) 0.718 3.586 ( -0.000 -24.432 -0.000) 24.432 4.642 ( 0.000 8.116 0.000) 8.116 5.294 ( 0.000 13.126 0.000) 13.126 8.228 ( 0.000 5.162 0.000) 5.162 8.526 ( -0.000 -8.437 -0.000) 8.437 8.633 ( -0.000 -9.376 -0.000) 9.376 8.823 ( 0.000 1.665 0.000) 1.665 9.131 ( 0.000 1.361 0.000) 1.361 9.808 ( 0.000 8.572 0.000) 8.572 ======================= Grid point 125 (37/168) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( -4.695 -0.000 11.427) 12.354 0.244 ( 0.691 0.000 11.468) 11.489 0.414 ( 3.517 0.000 18.931) 19.254 0.798 ( -1.234 -0.000 -4.538) 4.703 0.860 ( 7.572 0.000 -6.470) 9.959 1.037 ( -1.312 -0.000 1.325) 1.865 1.088 ( -0.594 -0.000 -1.006) 1.168 1.140 ( -2.621 -0.000 0.161) 2.626 1.324 ( 4.014 0.000 2.940) 4.976 1.476 ( -2.244 -0.000 -0.139) 2.248 1.504 ( 6.675 0.000 -3.473) 7.525 1.570 ( -15.154 -0.000 -1.931) 15.276 1.591 ( -0.655 -0.000 -1.379) 1.527 1.597 ( -1.997 -0.000 -3.198) 3.770 1.626 ( -3.993 -0.000 0.488) 4.023 1.817 ( 0.344 0.000 0.444) 0.561 1.948 ( 5.119 0.000 3.499) 6.201 2.108 ( 0.301 0.000 0.376) 0.481 2.248 ( -0.500 -0.000 -3.902) 3.934 2.332 ( 6.014 0.000 -1.807) 6.280 2.563 ( 1.559 0.000 4.022) 4.313 3.267 ( 0.124 0.000 0.103) 0.161 4.531 ( 12.185 0.000 0.164) 12.186 5.886 ( -17.680 -0.000 0.199) 17.681 8.427 ( 0.110 0.000 -0.197) 0.225 8.515 ( -0.128 -0.000 0.288) 0.315 8.623 ( -25.253 -0.000 -1.744) 25.313 8.795 ( -4.404 -0.000 1.512) 4.657 9.198 ( 6.188 0.000 -3.764) 7.243 9.601 ( 17.606 0.000 6.290) 18.696 ======================= Grid point 126 (38/168) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 4.914 -6.322 7.319) 10.848 0.371 ( -4.435 -9.727 7.879) 13.280 0.630 ( 6.842 -10.176 11.424) 16.759 0.814 ( -1.134 -2.474 -5.896) 6.494 0.862 ( 2.273 0.519 -2.526) 3.438 0.995 ( 1.631 0.166 -1.159) 2.008 1.076 ( -2.193 -1.044 1.743) 2.989 1.167 ( -2.497 -2.213 -1.359) 3.603 1.377 ( 2.629 -1.339 3.985) 4.958 1.438 ( -0.677 1.608 4.249) 4.593 1.487 ( -1.539 2.888 -2.962) 4.414 1.505 ( -6.497 -2.626 -2.553) 7.458 1.601 ( 0.705 -2.254 -1.441) 2.767 1.608 ( -1.479 -1.716 -2.398) 3.299 1.655 ( -0.156 -3.511 1.267) 3.736 1.863 ( 0.970 -1.742 -3.388) 3.931 1.998 ( 3.574 -1.537 2.127) 4.434 2.073 ( 0.303 2.732 0.585) 2.810 2.214 ( -1.607 1.254 -1.969) 2.834 2.300 ( 3.072 2.136 -2.056) 4.269 2.554 ( -0.036 0.687 2.892) 2.972 3.789 ( -2.487 -32.752 -15.724) 36.416 4.496 ( 10.794 9.156 -2.901) 14.448 5.454 ( -13.045 23.641 13.113) 30.017 8.270 ( -4.312 7.439 5.840) 10.394 8.592 ( 0.274 -8.928 -1.852) 9.122 8.774 ( 2.141 1.203 1.375) 2.814 8.813 ( -14.923 -13.997 -5.848) 21.280 9.194 ( 1.747 1.083 -3.110) 3.728 9.625 ( 11.079 6.261 4.379) 13.458 ======================= Grid point 127 (39/168) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 3.559 -8.429 3.526) 9.805 0.571 ( -4.329 -10.567 3.808) 12.037 0.751 ( 2.346 1.141 -3.361) 4.255 0.846 ( -3.825 -1.643 1.626) 4.469 0.934 ( -0.257 -7.653 -0.437) 7.670 1.064 ( 6.903 -4.923 -1.380) 8.591 1.124 ( -2.104 -2.254 -0.179) 3.089 1.210 ( -0.879 -5.538 1.335) 5.764 1.366 ( -5.386 2.345 3.136) 6.659 1.425 ( 2.331 1.194 0.036) 2.619 1.459 ( 2.785 -0.991 3.153) 4.322 1.571 ( -1.715 -6.006 -2.589) 6.761 1.615 ( -2.385 -0.310 -1.881) 3.054 1.633 ( 5.005 0.406 -1.442) 5.225 1.750 ( -3.339 -4.962 0.705) 6.022 1.862 ( 1.615 0.071 -4.118) 4.424 2.020 ( -0.861 1.469 -1.456) 2.241 2.062 ( 1.208 -2.010 1.762) 2.934 2.198 ( -0.371 -0.678 1.073) 1.322 2.279 ( 0.561 0.960 -1.091) 1.558 2.564 ( 0.192 -1.383 0.869) 1.645 4.136 ( -1.773 2.587 -0.901) 3.263 4.393 ( 4.525 -5.455 -11.207) 13.261 5.028 ( -4.360 17.840 8.012) 20.037 8.149 ( -2.240 5.122 4.021) 6.887 8.673 ( 0.595 2.254 -0.455) 2.376 8.794 ( -1.087 -3.362 1.105) 3.703 8.973 ( -5.669 -9.779 -2.893) 11.668 9.177 ( -0.009 0.273 -2.225) 2.242 9.557 ( 4.481 5.015 4.762) 8.241 ======================= Grid point 128 (40/168) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -0.885 0.619 -1.224) 1.632 0.698 ( -1.190 -7.590 0.604) 7.706 0.811 ( -1.776 -5.942 1.341) 6.345 0.862 ( -3.760 -3.898 2.048) 5.790 1.042 ( -0.398 -4.243 -1.428) 4.495 1.142 ( -3.010 -2.574 -1.305) 4.170 1.177 ( 0.640 -1.668 -0.940) 2.019 1.310 ( 2.808 -0.085 0.493) 2.852 1.335 ( -1.638 -3.948 -0.199) 4.279 1.445 ( 5.443 0.810 2.097) 5.889 1.537 ( 3.227 -5.250 3.788) 7.234 1.570 ( -4.255 1.646 -4.458) 6.378 1.632 ( 5.883 2.388 0.352) 6.359 1.681 ( -0.188 -5.636 -0.978) 5.723 1.743 ( -1.567 1.337 -4.549) 4.994 1.931 ( 0.625 -3.600 2.999) 4.727 1.986 ( 0.096 0.105 -2.324) 2.328 2.108 ( -0.995 -1.986 -0.285) 2.239 2.222 ( -1.023 -0.064 1.041) 1.461 2.273 ( -1.358 -1.895 2.904) 3.724 2.616 ( 0.889 -3.498 -1.073) 3.766 3.765 ( 1.864 28.462 0.296) 28.525 4.586 ( -0.971 -7.597 -2.982) 8.219 4.783 ( -2.657 5.002 0.650) 5.701 8.052 ( -1.326 4.737 2.352) 5.452 8.597 ( -0.228 4.730 1.229) 4.892 8.809 ( -0.832 1.560 1.120) 2.093 9.112 ( -2.715 -6.604 -1.676) 7.335 9.175 ( -1.368 -0.996 -0.840) 1.889 9.540 ( 2.543 -0.416 3.243) 4.142 ======================= Grid point 129 (41/168) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -1.505 0.521 0.656) 1.722 0.817 ( -0.331 -4.402 -0.234) 4.420 0.841 ( -5.333 -2.436 0.128) 5.864 0.992 ( -0.770 -5.936 0.658) 6.022 1.100 ( -2.628 -2.317 1.145) 3.686 1.156 ( -3.063 -0.437 -0.962) 3.241 1.189 ( -0.363 -2.362 -1.477) 2.809 1.302 ( 1.669 1.545 -0.797) 2.410 1.390 ( 3.118 3.308 -4.425) 6.344 1.439 ( 0.591 -2.406 -0.055) 2.478 1.527 ( 1.569 0.346 -2.046) 2.601 1.605 ( 8.095 4.420 2.130) 9.466 1.661 ( -0.027 -1.551 0.530) 1.639 1.736 ( -0.744 -4.705 -1.397) 4.964 1.781 ( -0.792 -4.404 0.873) 4.559 1.943 ( 1.143 0.362 1.205) 1.700 2.024 ( 1.034 -0.478 -0.725) 1.350 2.108 ( -2.030 0.815 -1.561) 2.687 2.215 ( -2.402 -1.112 2.221) 3.455 2.343 ( -1.635 -4.018 4.173) 6.019 2.691 ( 1.118 -3.628 -2.066) 4.322 3.171 ( 0.364 30.049 0.004) 30.051 4.589 ( -0.062 3.183 2.500) 4.048 4.811 ( -2.976 -5.299 -3.604) 7.066 7.963 ( -0.770 4.012 0.884) 4.180 8.511 ( -1.108 3.840 2.447) 4.686 8.761 ( -0.612 2.562 1.818) 3.200 9.161 ( -0.243 -0.843 -2.962) 3.089 9.218 ( -3.320 -3.767 2.192) 5.479 9.593 ( 2.601 -2.031 0.341) 3.317 ======================= Grid point 130 (42/168) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -1.016 -1.191 3.161) 3.527 0.848 ( -2.347 -2.002 -1.072) 3.266 0.887 ( -0.350 -1.632 -2.833) 3.288 1.023 ( -2.887 0.834 0.774) 3.104 1.120 ( -0.821 -0.863 -0.563) 1.317 1.160 ( -0.132 0.136 -0.835) 0.856 1.215 ( 0.623 -0.753 -2.921) 3.080 1.274 ( -0.944 1.345 -0.938) 1.892 1.367 ( 3.891 -1.507 -1.348) 4.385 1.442 ( 1.209 1.869 -1.574) 2.726 1.512 ( 4.612 5.204 1.867) 7.200 1.608 ( 2.068 -3.455 0.754) 4.097 1.670 ( -0.914 -0.771 -0.279) 1.228 1.810 ( -3.258 -2.993 -1.396) 4.639 1.842 ( 1.025 -1.150 2.543) 2.973 1.957 ( -1.118 3.050 -1.373) 3.527 2.002 ( 0.922 -2.040 -0.316) 2.261 2.079 ( 0.703 1.402 0.325) 1.602 2.237 ( -1.615 -1.073 1.785) 2.635 2.406 ( -1.975 -1.812 4.345) 5.105 2.724 ( -0.156 12.531 -0.143) 12.532 2.746 ( 1.061 -1.150 -2.393) 2.859 4.541 ( -0.309 1.973 1.301) 2.384 4.861 ( -0.612 -1.623 -2.494) 3.037 7.904 ( -0.234 1.568 0.104) 1.589 8.458 ( -1.464 1.339 3.076) 3.660 8.728 ( -0.929 0.872 2.277) 2.609 9.162 ( 0.548 -0.030 -2.781) 2.834 9.266 ( -2.307 -1.916 3.373) 4.513 9.621 ( 2.054 0.520 -2.381) 3.187 ======================= Grid point 131 (43/168) ======================= q-point: (-0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -0.584 -2.630 4.286) 5.063 0.861 ( 0.841 2.732 -4.178) 5.063 0.886 ( 1.663 -1.920 -0.601) 2.610 0.989 ( 0.095 1.704 -0.009) 1.707 1.103 ( 0.350 3.089 -0.128) 3.112 1.129 ( 2.678 2.462 -0.692) 3.703 1.228 ( 1.255 -0.969 -4.216) 4.504 1.268 ( -0.249 -1.099 0.268) 1.158 1.386 ( 1.426 2.685 -0.217) 3.048 1.436 ( -1.786 -2.050 -0.993) 2.894 1.462 ( 0.507 0.239 -1.208) 1.332 1.669 ( 0.573 0.752 2.204) 2.398 1.715 ( 1.465 -4.900 1.674) 5.381 1.800 ( -3.334 3.494 -1.970) 5.216 1.853 ( 1.105 0.416 2.484) 2.750 1.877 ( -5.105 -0.523 -2.966) 5.927 2.018 ( 1.568 2.068 -0.218) 2.604 2.102 ( 2.175 -2.268 0.613) 3.201 2.236 ( -0.742 0.955 1.563) 1.976 2.405 ( -2.206 1.908 4.413) 5.290 2.722 ( 0.268 -10.874 -0.302) 10.881 2.748 ( 0.929 -0.572 -2.199) 2.455 4.519 ( -0.207 0.338 0.669) 0.778 4.860 ( 2.772 1.612 -2.355) 3.979 7.907 ( 0.088 -1.836 0.201) 1.849 8.461 ( -1.510 -1.514 3.121) 3.783 8.731 ( -1.177 -1.207 2.346) 2.889 9.155 ( 1.608 0.593 -2.668) 3.172 9.288 ( -0.684 -0.352 4.177) 4.247 9.576 ( 0.904 4.114 -3.927) 5.759 ======================= Grid point 132 (44/168) ======================= q-point: (-0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -0.621 -2.747 3.259) 4.308 0.774 ( 2.442 6.035 -3.220) 7.263 0.892 ( 5.814 5.918 3.574) 9.033 0.981 ( 3.172 0.193 -2.412) 3.990 1.037 ( 1.723 2.097 1.802) 3.258 1.083 ( 0.693 2.858 -1.238) 3.191 1.241 ( 1.671 -0.602 -1.890) 2.594 1.309 ( 2.689 -2.115 -0.910) 3.541 1.341 ( -2.941 1.201 -2.795) 4.231 1.412 ( -3.876 1.884 -1.124) 4.454 1.479 ( -2.838 -1.693 -2.133) 3.933 1.620 ( -3.612 7.466 0.102) 8.294 1.675 ( 1.103 1.776 1.048) 2.339 1.836 ( 0.635 2.320 1.608) 2.893 1.838 ( 1.374 -2.602 3.175) 4.329 1.886 ( -2.936 -3.356 -3.495) 5.666 1.994 ( 0.557 0.348 -1.055) 1.243 2.134 ( 1.355 0.718 0.042) 1.534 2.209 ( 0.285 1.551 1.641) 2.275 2.344 ( -2.154 3.659 4.294) 6.039 2.687 ( 0.766 3.873 -2.108) 4.476 3.171 ( -0.425 -29.730 -0.006) 29.733 4.536 ( -0.016 -2.149 0.729) 2.269 4.817 ( 5.891 4.538 -2.877) 7.973 7.971 ( -0.356 -4.321 1.188) 4.496 8.511 ( -1.240 -3.549 2.385) 4.452 8.773 ( -1.285 -3.050 2.110) 3.925 9.143 ( 2.774 1.234 -2.356) 3.843 9.297 ( 1.013 0.584 4.380) 4.533 9.459 ( -0.147 6.607 -3.975) 7.712 ======================= Grid point 133 (45/168) ======================= q-point: (-0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 2.241 8.876 -2.390) 9.461 0.731 ( 4.580 8.394 2.346) 9.846 0.798 ( 0.268 1.961 1.659) 2.583 0.933 ( 2.304 3.353 1.023) 4.195 1.035 ( 0.023 1.636 -2.682) 3.141 1.078 ( 1.267 -0.068 2.394) 2.710 1.242 ( 0.097 2.918 0.490) 2.960 1.287 ( -2.705 0.530 -0.474) 2.797 1.331 ( -2.606 1.272 -0.995) 3.066 1.390 ( 5.829 -1.864 -2.441) 6.588 1.404 ( -1.367 8.365 -0.353) 8.483 1.513 ( -5.053 -2.218 -1.728) 5.783 1.659 ( 0.695 1.692 0.486) 1.893 1.757 ( -0.325 4.505 0.186) 4.521 1.879 ( 0.221 0.479 1.678) 1.759 1.926 ( -1.286 -1.331 -1.563) 2.422 1.994 ( -0.431 -0.365 -1.489) 1.593 2.087 ( 1.398 3.787 0.243) 4.044 2.204 ( -0.329 -0.522 0.819) 1.025 2.287 ( -0.960 1.923 2.859) 3.577 2.606 ( 0.564 3.811 -1.191) 4.032 3.753 ( -1.474 -27.500 0.086) 27.540 4.584 ( 2.056 1.043 -3.189) 3.935 4.767 ( 5.353 -0.752 0.051) 5.405 8.065 ( -1.618 -5.065 2.891) 6.052 8.591 ( -0.585 -4.509 0.903) 4.636 8.826 ( -1.066 -1.491 1.608) 2.438 9.123 ( 4.788 2.451 -1.905) 5.706 9.286 ( -1.286 2.532 -2.241) 3.618 9.342 ( 1.526 2.814 3.300) 4.597 ======================= Grid point 134 (46/168) ======================= q-point: (-0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 1.048 10.426 -0.384) 10.485 0.548 ( 4.929 12.415 5.713) 14.528 0.749 ( -1.909 4.282 -2.223) 5.189 0.905 ( 0.100 2.104 0.530) 2.173 0.960 ( -5.893 7.089 2.070) 9.448 1.008 ( 0.277 1.799 -3.173) 3.658 1.137 ( -0.751 5.459 2.550) 6.072 1.272 ( -0.877 3.817 -1.611) 4.235 1.306 ( 0.951 -1.450 2.011) 2.655 1.332 ( 3.947 -0.368 1.931) 4.409 1.483 ( 7.282 -3.023 -1.058) 7.956 1.526 ( -3.370 -1.519 -2.084) 4.244 1.621 ( 0.137 1.878 0.020) 1.883 1.670 ( -2.713 3.284 -1.286) 4.449 1.829 ( -2.438 4.945 3.497) 6.529 1.896 ( -0.959 1.402 -3.342) 3.748 1.991 ( 0.710 1.307 0.742) 1.663 2.052 ( 1.192 0.045 -2.146) 2.455 2.220 ( -1.650 -1.434 -0.310) 2.208 2.270 ( 0.796 0.285 -0.098) 0.851 2.554 ( -0.026 1.562 0.827) 1.768 4.158 ( -0.061 -14.574 0.868) 14.600 4.393 ( 7.724 17.321 -14.729) 24.013 5.017 ( -1.557 -19.919 8.557) 21.735 8.164 ( -2.965 -5.542 4.735) 7.868 8.674 ( -0.088 -3.598 -0.687) 3.664 8.780 ( 0.388 6.385 0.852) 6.453 9.108 ( 7.982 1.562 -0.896) 8.183 9.205 ( -4.817 1.939 -8.407) 9.881 9.375 ( 1.348 -2.383 8.504) 8.934 ======================= Grid point 135 (47/168) ======================= q-point: (-0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( -0.336 7.547 6.061) 9.685 0.355 ( 1.476 10.435 8.476) 13.524 0.554 ( -5.681 12.596 9.462) 16.747 0.833 ( 3.677 1.755 -0.684) 4.131 0.864 ( -1.855 3.098 -6.109) 7.096 0.993 ( 0.145 -0.872 -1.132) 1.436 1.089 ( -1.307 -0.129 2.016) 2.406 1.198 ( -1.504 3.003 -1.438) 3.654 1.320 ( 3.971 1.811 3.014) 5.304 1.395 ( 3.184 -3.357 2.640) 5.327 1.525 ( -0.323 0.452 -1.515) 1.614 1.556 ( 4.146 -1.161 -1.067) 4.436 1.599 ( -0.851 0.265 -0.656) 1.107 1.612 ( -5.450 -0.746 -1.065) 5.603 1.709 ( -6.686 4.278 1.099) 8.013 1.868 ( 1.266 1.395 -2.846) 3.413 1.954 ( 1.835 3.029 1.594) 3.884 2.070 ( 0.509 -1.847 -1.156) 2.237 2.236 ( -1.186 -1.222 -0.525) 1.782 2.280 ( 2.064 -0.892 -2.490) 3.355 2.544 ( -0.721 -0.056 2.645) 2.742 3.886 ( 5.416 34.728 -23.645) 42.361 4.388 ( 7.205 -7.435 2.440) 10.637 5.505 ( -6.660 -28.909 12.598) 32.230 8.287 ( -4.149 -8.157 6.236) 11.074 8.597 ( 0.588 8.964 -1.587) 9.123 8.749 ( 1.617 -1.305 -0.069) 2.080 9.050 ( -13.412 8.502 -14.065) 21.213 9.147 ( 9.750 -0.495 -1.844) 9.935 9.471 ( 4.962 -2.933 10.906) 12.335 ======================= Grid point 137 (48/168) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.265 ( 0.423 0.000 10.017) 10.026 0.347 ( 6.807 0.000 9.934) 12.042 0.587 ( 9.161 0.000 14.169) 16.873 0.765 ( 0.179 0.000 -5.540) 5.543 0.895 ( 4.491 0.000 -6.473) 7.878 1.015 ( -2.506 -0.000 1.901) 3.146 1.074 ( -1.185 -0.000 -0.624) 1.339 1.112 ( -2.089 -0.000 -0.035) 2.089 1.372 ( 0.794 0.000 3.607) 3.693 1.435 ( -9.966 -0.000 0.642) 9.986 1.447 ( -1.617 -0.000 -1.088) 1.949 1.497 ( -8.378 -0.000 -1.476) 8.507 1.531 ( 2.044 0.000 -1.875) 2.774 1.573 ( -1.192 -0.000 -1.440) 1.869 1.667 ( 5.931 0.000 -1.005) 6.016 1.827 ( 1.039 0.000 0.404) 1.115 2.024 ( 4.834 0.000 0.294) 4.843 2.111 ( -0.426 -0.000 1.056) 1.139 2.211 ( -2.123 -0.000 -1.842) 2.811 2.361 ( 2.916 0.000 -5.203) 5.964 2.609 ( 2.859 0.000 2.318) 3.681 3.270 ( 0.274 0.000 0.106) 0.293 4.651 ( 11.104 0.000 -5.162) 12.245 5.671 ( -23.234 -0.000 13.490) 26.866 8.414 ( -14.132 -0.000 7.854) 16.167 8.427 ( 0.163 0.000 -0.196) 0.255 8.515 ( -0.101 -0.000 0.289) 0.306 8.806 ( 1.830 0.000 1.622) 2.446 9.202 ( -0.213 -0.000 -3.516) 3.522 9.774 ( 11.334 0.000 -2.845) 11.685 ======================= Grid point 138 (49/168) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( -0.380 -7.050 7.682) 10.434 0.439 ( 7.678 -4.067 7.374) 11.396 0.753 ( 4.744 -5.648 2.999) 7.962 0.784 ( 1.325 -3.357 -3.911) 5.322 0.858 ( -0.092 3.241 -0.772) 3.333 1.018 ( 3.543 -2.401 -1.158) 4.434 1.072 ( -0.274 -2.143 2.594) 3.376 1.133 ( -2.745 -1.664 -0.102) 3.212 1.379 ( -7.935 1.602 1.282) 8.196 1.405 ( -2.214 -3.164 -0.487) 3.893 1.453 ( -0.607 -1.455 0.926) 1.828 1.511 ( 3.542 1.117 1.003) 3.847 1.534 ( -6.378 -6.083 -2.343) 9.120 1.596 ( -0.342 -2.580 -1.582) 3.046 1.696 ( 4.184 -0.441 0.193) 4.211 1.862 ( 1.339 -1.469 -1.856) 2.720 2.018 ( -0.752 1.130 -3.150) 3.430 2.088 ( 0.784 1.854 2.347) 3.092 2.198 ( 0.073 0.332 1.418) 1.458 2.315 ( 2.796 2.714 -4.532) 5.977 2.572 ( 0.412 1.889 2.778) 3.385 3.691 ( -3.530 -29.984 -8.510) 31.368 4.580 ( 7.915 10.349 -4.867) 13.908 5.387 ( -10.802 17.556 13.414) 24.593 8.258 ( -3.131 6.387 5.245) 8.838 8.582 ( -0.521 -10.093 -2.195) 10.342 8.678 ( -7.142 -11.071 -0.042) 13.175 8.810 ( 2.176 0.101 2.500) 3.316 9.179 ( -1.072 0.824 -3.222) 3.494 9.730 ( 6.185 7.494 -0.009) 9.717 ======================= Grid point 139 (50/168) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -3.379 -7.563 5.452) 9.917 0.610 ( 6.144 -6.236 3.153) 9.305 0.755 ( 2.610 1.225 -3.914) 4.861 0.816 ( -4.285 0.033 4.208) 6.006 0.913 ( -1.074 -6.577 -5.088) 8.384 1.093 ( -2.831 -1.345 0.006) 3.134 1.127 ( 4.290 -4.003 -1.093) 5.969 1.233 ( 2.328 -6.784 2.564) 7.617 1.307 ( -5.115 0.599 0.900) 5.228 1.459 ( 0.557 -1.362 1.929) 2.426 1.492 ( 0.824 -3.550 0.997) 3.779 1.543 ( -1.072 -2.488 -2.234) 3.511 1.574 ( -2.009 -0.791 -1.935) 2.899 1.653 ( 1.243 -2.682 -2.495) 3.868 1.748 ( 1.464 -2.645 1.865) 3.552 1.874 ( 3.139 -0.493 -1.450) 3.493 1.995 ( -2.329 -0.053 -1.291) 2.663 2.071 ( -0.235 -0.066 0.037) 0.246 2.209 ( 0.345 -0.556 2.456) 2.542 2.277 ( 0.648 1.516 -2.011) 2.600 2.571 ( 0.297 -1.136 0.786) 1.413 4.107 ( -1.994 -8.562 -2.022) 9.021 4.383 ( 2.593 5.044 -7.606) 9.488 5.023 ( -3.439 17.296 6.961) 18.958 8.148 ( -1.518 5.093 3.615) 6.427 8.679 ( 0.768 2.225 -0.282) 2.370 8.773 ( -2.781 -5.120 -0.253) 5.832 8.929 ( -2.210 -9.300 1.894) 9.744 9.154 ( -1.594 0.005 -2.764) 3.190 9.611 ( 2.286 5.921 1.861) 6.614 ======================= Grid point 140 (51/168) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -3.020 -1.084 -0.276) 3.220 0.713 ( 1.945 -4.363 2.641) 5.459 0.795 ( -3.575 -0.430 3.426) 4.971 0.853 ( 0.764 -7.214 1.256) 7.362 1.005 ( -2.891 -5.308 -5.252) 8.007 1.126 ( -0.490 -2.899 1.600) 3.347 1.144 ( -4.628 0.736 -1.496) 4.919 1.331 ( 0.699 0.327 -1.669) 1.839 1.339 ( 2.012 -5.147 -0.039) 5.527 1.485 ( 0.809 2.076 -3.419) 4.081 1.536 ( 2.505 0.452 -1.320) 2.868 1.579 ( 0.977 -6.297 1.276) 6.499 1.622 ( -2.220 -3.962 -0.453) 4.564 1.703 ( 1.771 -2.984 0.145) 3.473 1.765 ( 5.914 3.183 1.335) 6.847 1.960 ( 1.865 -4.877 2.601) 5.833 1.971 ( -0.889 0.738 -1.332) 1.763 2.086 ( -1.924 -1.365 -1.666) 2.888 2.206 ( -2.221 0.871 -0.153) 2.390 2.278 ( -0.994 -2.161 3.627) 4.338 2.620 ( 0.900 -3.367 -1.181) 3.680 3.791 ( 2.634 29.662 0.085) 29.778 4.543 ( -3.420 -12.092 -3.866) 13.147 4.761 ( -2.286 8.200 1.465) 8.638 8.051 ( -1.033 4.939 2.164) 5.490 8.600 ( -0.444 4.895 1.301) 5.084 8.809 ( -0.243 1.034 1.249) 1.640 9.081 ( -2.530 -6.793 0.895) 7.304 9.148 ( -2.073 -1.134 -1.936) 3.055 9.572 ( 1.352 -0.522 0.757) 1.635 ======================= Grid point 141 (52/168) ======================= q-point: ( 0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -1.033 -0.210 1.123) 1.540 0.785 ( -4.717 -2.055 0.010) 5.145 0.823 ( 0.545 -3.690 2.245) 4.354 0.988 ( -0.674 -4.208 0.148) 4.264 1.046 ( -5.203 -2.938 -2.215) 6.372 1.115 ( -2.916 -1.917 -1.567) 3.825 1.196 ( 0.340 -2.229 -0.162) 2.261 1.304 ( 1.415 1.096 -1.045) 2.073 1.409 ( 4.275 1.659 -4.300) 6.286 1.448 ( 1.232 -1.011 -0.016) 1.593 1.534 ( 0.688 -0.474 -2.746) 2.870 1.650 ( -1.295 0.272 0.573) 1.442 1.689 ( 2.342 -0.802 0.091) 2.477 1.737 ( 5.179 0.780 2.304) 5.722 1.802 ( 1.262 -4.591 2.444) 5.352 1.957 ( 0.492 -0.715 0.019) 0.868 2.013 ( -2.059 1.947 -2.224) 3.602 2.088 ( -0.033 -1.022 -0.476) 1.128 2.199 ( -2.422 -1.568 1.920) 3.466 2.346 ( -1.956 -3.929 4.242) 6.104 2.693 ( 1.114 -3.517 -2.135) 4.263 3.176 ( 0.549 30.954 -0.035) 30.959 4.598 ( -0.379 3.447 1.638) 3.835 4.755 ( -3.554 -7.055 -3.489) 8.636 7.960 ( -0.661 4.069 0.827) 4.204 8.511 ( -1.223 3.889 2.558) 4.813 8.766 ( -0.384 2.724 2.063) 3.439 9.143 ( -0.259 -1.206 -2.736) 3.001 9.194 ( -3.212 -4.492 2.468) 6.049 9.614 ( 1.782 -1.859 -1.443) 2.952 ======================= Grid point 142 (53/168) ======================= q-point: ( 0.55 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -0.941 -1.644 2.596) 3.214 0.816 ( -1.870 -3.462 -1.615) 4.253 0.872 ( -0.143 -0.970 -1.570) 1.851 0.993 ( -2.515 -0.344 0.440) 2.576 1.108 ( -0.786 -2.964 -0.693) 3.144 1.146 ( -1.130 -1.932 -1.130) 2.507 1.203 ( -0.297 0.008 -2.831) 2.846 1.281 ( 2.530 2.849 -0.229) 3.817 1.404 ( 3.686 -0.361 -0.697) 3.769 1.449 ( 0.796 1.695 -0.454) 1.927 1.567 ( 3.239 3.944 1.697) 5.378 1.594 ( -2.219 -2.807 -4.733) 5.933 1.701 ( 4.445 0.488 3.671) 5.786 1.778 ( -1.531 -1.753 -0.020) 2.328 1.857 ( -1.141 -0.531 2.130) 2.474 1.912 ( -3.001 4.555 -2.762) 6.114 2.018 ( 1.390 -3.564 -0.230) 3.833 2.092 ( 1.049 0.697 0.120) 1.265 2.228 ( -1.681 -1.443 1.864) 2.895 2.406 ( -2.036 -1.753 4.345) 5.108 2.722 ( -0.038 12.546 -0.156) 12.547 2.745 ( 1.076 -1.181 -2.346) 2.838 4.542 ( -0.494 2.000 0.762) 2.197 4.842 ( -0.511 -3.538 -2.363) 4.285 7.902 ( -0.192 1.399 0.099) 1.416 8.458 ( -1.512 1.342 3.139) 3.734 8.730 ( -0.907 1.051 2.382) 2.757 9.154 ( 0.639 -0.616 -2.667) 2.811 9.258 ( -2.158 -2.774 3.320) 4.835 9.628 ( 1.724 1.115 -3.009) 3.643 ======================= Grid point 143 (54/168) ======================= q-point: (-0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -1.769 -2.717 2.410) 4.040 0.858 ( 2.194 1.270 -3.160) 4.051 0.901 ( 1.278 -4.335 0.221) 4.524 0.993 ( 0.448 0.180 0.452) 0.661 1.106 ( 0.196 2.675 -0.122) 2.685 1.149 ( 1.539 1.679 -0.523) 2.337 1.212 ( -0.713 -1.990 -3.134) 3.781 1.275 ( 2.107 -1.481 -0.374) 2.602 1.396 ( 0.033 3.859 -2.069) 4.379 1.436 ( 1.126 -0.812 0.335) 1.428 1.460 ( 0.521 5.094 0.837) 5.188 1.664 ( -0.930 -2.479 -3.174) 4.133 1.745 ( -0.318 1.064 1.149) 1.598 1.761 ( -1.445 0.401 -0.216) 1.515 1.811 ( -2.698 -0.768 -0.532) 2.855 1.881 ( 0.812 0.018 3.040) 3.147 2.026 ( 0.507 2.187 -1.343) 2.616 2.122 ( 1.176 -2.198 -0.075) 2.494 2.236 ( -0.754 0.345 1.869) 2.044 2.403 ( -2.142 2.006 4.310) 5.214 2.724 ( 0.342 -10.316 -0.247) 10.324 2.747 ( 0.940 -1.109 -2.169) 2.612 4.521 ( -0.146 0.157 0.950) 0.974 4.877 ( 2.386 -0.121 -2.232) 3.269 7.908 ( 0.000 -1.972 0.193) 1.982 8.460 ( -1.539 -1.490 3.060) 3.735 8.730 ( -1.148 -1.067 2.262) 2.753 9.160 ( 1.631 -0.031 -2.301) 2.820 9.298 ( -1.292 -1.339 3.491) 3.956 9.571 ( 1.517 4.735 -3.054) 5.836 ======================= Grid point 144 (55/168) ======================= q-point: (-0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -2.944 -2.091 -0.112) 3.613 0.799 ( 3.456 5.553 -1.828) 6.791 0.952 ( 1.790 2.725 2.506) 4.113 0.997 ( 0.511 1.556 -0.740) 1.798 1.073 ( 1.532 -0.215 3.639) 3.954 1.098 ( 4.468 3.633 -1.756) 6.020 1.238 ( -0.177 -1.580 -2.493) 2.957 1.292 ( -1.623 2.036 -2.269) 3.454 1.354 ( 3.256 -1.443 1.228) 3.767 1.378 ( -1.221 2.688 -0.746) 3.045 1.447 ( -0.988 -0.397 -1.964) 2.234 1.587 ( -2.309 8.135 0.746) 8.489 1.693 ( 1.209 0.994 0.511) 1.646 1.776 ( -5.906 -1.603 -4.948) 7.869 1.872 ( 1.016 -2.744 2.658) 3.953 1.886 ( 1.210 0.664 0.772) 1.582 1.992 ( 0.254 0.524 -1.388) 1.505 2.145 ( 0.628 0.731 -0.179) 0.980 2.222 ( 0.139 1.261 2.096) 2.450 2.341 ( -2.189 3.621 3.950) 5.789 2.686 ( 0.933 3.861 -1.952) 4.426 3.167 ( -0.178 -29.144 0.044) 29.145 4.543 ( 0.244 -2.180 1.697) 2.774 4.857 ( 3.971 3.336 -3.066) 6.025 7.972 ( -0.579 -4.212 1.161) 4.407 8.510 ( -1.177 -3.555 2.309) 4.399 8.769 ( -1.248 -2.929 1.809) 3.662 9.161 ( 2.508 0.495 -1.983) 3.235 9.308 ( -1.902 0.576 1.292) 2.370 9.462 ( 2.573 6.276 0.130) 6.784 ======================= Grid point 145 (56/168) ======================= q-point: (-0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 1.467 8.435 -1.373) 8.671 0.749 ( -0.580 -0.255 -2.267) 2.353 0.824 ( 1.480 10.762 1.881) 11.025 0.944 ( -2.686 2.302 1.115) 3.709 1.029 ( 1.204 2.827 0.446) 3.105 1.100 ( 1.703 4.320 0.628) 4.686 1.231 ( -1.621 3.091 -1.371) 3.750 1.266 ( -0.510 -1.477 0.673) 1.702 1.326 ( 1.525 0.860 0.611) 1.854 1.417 ( 2.132 7.335 3.105) 8.245 1.436 ( -2.365 -2.862 1.592) 4.040 1.466 ( 4.878 -2.940 -4.413) 7.205 1.666 ( 0.176 2.210 0.305) 2.238 1.728 ( -3.337 2.949 -2.619) 5.167 1.868 ( -1.652 -0.136 -3.532) 3.902 1.913 ( -1.106 0.890 1.564) 2.112 1.987 ( 0.712 -0.273 -1.437) 1.627 2.103 ( 0.807 3.341 0.823) 3.535 2.208 ( 0.127 0.637 1.396) 1.540 2.286 ( -1.470 1.409 2.186) 2.987 2.608 ( 0.745 3.695 -0.993) 3.898 3.744 ( -0.352 -27.340 0.310) 27.344 4.591 ( 1.652 1.249 -1.902) 2.812 4.807 ( 2.205 -0.889 -1.013) 2.585 8.061 ( -1.752 -4.833 2.784) 5.847 8.591 ( -0.371 -4.484 0.956) 4.599 8.821 ( -1.150 -1.729 1.282) 2.440 9.157 ( 3.318 1.093 -2.639) 4.378 9.231 ( -3.876 4.677 -3.458) 6.990 9.409 ( 3.971 1.598 6.570) 7.841 ======================= Grid point 146 (57/168) ======================= q-point: (-0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 2.514 10.033 1.540) 10.457 0.600 ( -1.832 12.179 3.610) 12.834 0.732 ( 1.625 2.673 -0.643) 3.194 0.885 ( -3.138 2.236 -1.336) 4.078 0.936 ( -1.728 7.791 3.129) 8.572 1.010 ( 3.967 2.807 -2.709) 5.564 1.139 ( -1.084 4.475 1.309) 4.786 1.235 ( -2.916 3.124 -1.203) 4.439 1.346 ( 2.789 -1.638 3.383) 4.680 1.399 ( 4.506 0.128 3.691) 5.826 1.462 ( -5.311 -2.769 -1.559) 6.189 1.562 ( 7.106 -1.907 -1.039) 7.431 1.613 ( -2.085 3.136 -1.398) 4.017 1.638 ( -0.682 2.699 -1.685) 3.254 1.794 ( -4.863 6.163 1.313) 7.960 1.877 ( 0.333 0.053 -4.674) 4.686 2.015 ( 1.754 -0.803 1.957) 2.748 2.049 ( 0.147 2.129 -1.239) 2.468 2.204 ( -0.915 -0.463 -0.361) 1.087 2.276 ( 0.547 -0.132 -0.279) 0.628 2.558 ( 0.059 1.507 0.898) 1.756 4.154 ( -1.221 -11.921 0.304) 11.987 4.398 ( 6.582 14.149 -14.048) 20.997 5.032 ( -3.694 -18.987 8.272) 21.038 8.155 ( -2.865 -5.332 4.434) 7.503 8.671 ( 0.217 -2.856 -0.642) 2.936 8.790 ( 0.267 4.822 1.423) 5.034 9.077 ( -7.402 5.457 -7.284) 11.731 9.172 ( 2.836 0.009 -1.731) 3.322 9.466 ( 5.566 -2.961 7.989) 10.177 ======================= Grid point 149 (58/168) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 6.907 0.000 6.382) 9.404 0.481 ( 8.616 0.000 8.030) 11.778 0.704 ( 2.333 0.000 1.391) 2.716 0.747 ( 1.920 0.000 -5.712) 6.026 0.924 ( 4.361 0.000 3.463) 5.568 1.010 ( 0.632 0.000 -0.308) 0.703 1.056 ( -1.910 -0.000 -0.042) 1.910 1.102 ( -0.294 -0.000 1.224) 1.259 1.328 ( -8.568 -0.000 -2.183) 8.842 1.357 ( -4.416 -0.000 -0.240) 4.422 1.419 ( -5.084 -0.000 0.151) 5.086 1.446 ( 0.006 0.000 1.679) 1.679 1.551 ( 2.077 0.000 1.219) 2.408 1.558 ( 0.120 0.000 -1.146) 1.152 1.720 ( 4.084 0.000 -0.387) 4.103 1.842 ( 1.144 0.000 0.223) 1.165 2.009 ( -4.845 -0.000 -5.756) 7.524 2.119 ( -0.014 -0.000 2.376) 2.376 2.216 ( 2.288 0.000 2.884) 3.681 2.359 ( 3.082 0.000 -6.985) 7.635 2.640 ( 1.154 0.000 1.053) 1.562 3.274 ( 0.351 0.000 0.044) 0.354 4.717 ( 5.973 0.000 -5.730) 8.277 5.544 ( -13.735 -0.000 15.382) 20.622 8.353 ( -5.580 -0.000 7.032) 8.977 8.428 ( 0.196 0.000 -0.203) 0.282 8.515 ( -0.084 -0.000 0.286) 0.298 8.837 ( 1.676 0.000 2.400) 2.928 9.173 ( -1.417 -0.000 -3.582) 3.852 9.842 ( 5.121 0.000 -3.666) 6.298 ======================= Grid point 150 (59/168) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 4.509 -3.114 5.956) 8.093 0.561 ( 7.504 -2.718 6.017) 9.995 0.753 ( -0.407 -2.880 -3.045) 4.211 0.779 ( 1.767 -3.575 -6.803) 7.885 0.879 ( 0.807 5.186 3.112) 6.102 1.053 ( 0.073 -1.568 1.052) 1.889 1.080 ( 1.479 -2.507 -1.258) 3.171 1.127 ( 0.237 -4.629 4.641) 6.559 1.291 ( -7.309 0.200 -0.087) 7.312 1.374 ( -0.834 -3.605 -2.974) 4.747 1.453 ( -3.715 -2.098 -0.034) 4.267 1.462 ( -3.022 -5.081 0.774) 5.962 1.555 ( 2.798 0.722 1.911) 3.464 1.593 ( 1.488 -2.848 -1.049) 3.380 1.737 ( 2.661 -0.109 1.245) 2.940 1.871 ( 1.439 -1.620 -0.600) 2.249 1.956 ( -6.049 -0.224 -4.391) 7.478 2.101 ( -0.034 1.964 1.467) 2.452 2.228 ( 2.094 0.809 2.772) 3.568 2.320 ( 3.527 2.857 -6.048) 7.562 2.587 ( -0.036 2.513 2.245) 3.370 3.624 ( -2.623 -27.043 -4.599) 27.556 4.620 ( 4.052 10.312 -4.519) 11.965 5.359 ( -6.107 14.806 11.028) 19.446 8.256 ( -1.902 5.824 4.508) 7.607 8.559 ( -1.578 -10.838 -1.416) 11.044 8.637 ( -1.820 -7.885 0.983) 8.152 8.843 ( 0.935 -0.014 3.335) 3.463 9.145 ( -1.495 0.799 -3.376) 3.778 9.773 ( 2.825 7.501 -1.648) 8.183 ======================= Grid point 151 (60/168) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -0.778 -3.861 4.814) 6.220 0.689 ( 4.509 -4.311 1.970) 6.542 0.777 ( 4.328 -0.329 -2.443) 4.981 0.804 ( -1.983 1.467 5.957) 6.447 0.864 ( -1.988 -5.181 -5.763) 8.000 1.061 ( -2.705 -2.360 -1.392) 3.851 1.129 ( -3.206 -0.558 -0.337) 3.272 1.259 ( 0.359 -3.440 1.420) 3.739 1.287 ( 0.189 -5.246 -0.517) 5.274 1.457 ( -1.170 -1.464 0.532) 1.947 1.462 ( -1.294 -5.411 -3.945) 6.821 1.548 ( -1.947 -3.185 -0.546) 3.773 1.566 ( 3.521 -0.297 1.554) 3.860 1.661 ( 1.982 -2.744 -1.029) 3.538 1.781 ( 2.077 -2.797 2.482) 4.278 1.911 ( 3.597 -1.652 0.483) 3.988 1.952 ( -4.290 -2.411 -1.028) 5.028 2.066 ( -0.389 1.295 -0.080) 1.355 2.216 ( -0.665 1.425 -0.352) 1.611 2.280 ( 1.448 1.471 -0.519) 2.129 2.578 ( 0.202 -0.961 0.561) 1.131 4.073 ( -1.719 -17.084 -2.621) 17.369 4.373 ( 1.381 13.228 -4.717) 14.112 5.022 ( -2.509 17.544 4.997) 18.413 8.152 ( -1.066 5.206 3.265) 6.237 8.683 ( -0.075 2.560 -0.063) 2.562 8.745 ( -1.273 -7.976 -0.669) 8.104 8.927 ( -1.839 -7.121 4.349) 8.544 9.119 ( -1.572 -0.022 -3.150) 3.520 9.630 ( 0.677 6.229 -0.527) 6.288 ======================= Grid point 152 (61/168) ======================= q-point: ( 0.45 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -2.494 -1.725 1.500) 3.384 0.736 ( -1.189 -0.429 -0.043) 1.265 0.797 ( 0.813 -0.640 7.434) 7.506 0.877 ( 2.117 -6.450 -0.472) 6.806 0.942 ( -2.690 -4.351 -4.836) 7.039 1.076 ( -5.524 0.174 -1.841) 5.825 1.122 ( -2.034 -3.821 -0.042) 4.329 1.318 ( 0.594 -0.807 -2.552) 2.741 1.368 ( 2.993 -3.875 -0.052) 4.897 1.485 ( 2.862 0.607 -3.518) 4.576 1.518 ( -3.563 -1.562 -2.406) 4.574 1.590 ( 1.099 -4.050 0.824) 4.277 1.644 ( 2.961 -3.005 2.356) 4.832 1.715 ( 0.419 -3.597 -0.068) 3.622 1.841 ( 5.426 0.495 2.157) 5.860 1.945 ( -1.908 -0.490 -1.470) 2.458 2.005 ( 2.424 -2.461 3.929) 5.232 2.054 ( -1.397 -0.889 -2.472) 2.976 2.175 ( -2.796 0.592 -0.889) 2.993 2.284 ( -1.351 -1.586 3.446) 4.027 2.624 ( 0.848 -3.264 -1.296) 3.613 3.822 ( 2.832 31.142 -0.179) 31.271 4.480 ( -4.011 -14.773 -3.647) 15.736 4.745 ( -1.902 9.635 0.740) 9.849 8.052 ( -0.827 5.197 2.045) 5.646 8.600 ( -0.698 4.939 1.353) 5.168 8.816 ( 0.322 0.610 1.305) 1.476 9.063 ( -2.974 -6.824 3.157) 8.086 9.115 ( -1.205 -1.108 -3.041) 3.454 9.579 ( 0.378 -0.889 -1.755) 2.003 ======================= Grid point 153 (62/168) ======================= q-point: ( 0.55 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -0.878 -0.940 1.392) 1.895 0.737 ( -3.505 -2.246 -1.241) 4.344 0.848 ( 0.552 -1.309 3.587) 3.858 0.961 ( -3.083 -1.261 -0.552) 3.376 1.007 ( -0.090 -5.979 -0.899) 6.047 1.078 ( -2.233 -2.914 -2.042) 4.202 1.175 ( -1.878 -2.453 -2.965) 4.282 1.343 ( 4.737 0.400 1.198) 4.903 1.433 ( 3.620 -1.280 -3.757) 5.372 1.465 ( 1.862 1.228 0.059) 2.231 1.502 ( -3.195 -0.370 -2.464) 4.052 1.658 ( 1.419 1.526 0.947) 2.289 1.687 ( -0.389 -3.931 -0.749) 4.020 1.818 ( -0.433 -3.430 3.074) 4.626 1.837 ( 7.459 3.117 2.801) 8.555 1.938 ( -3.558 -0.688 -2.559) 4.436 1.978 ( -0.781 2.148 -1.823) 2.923 2.097 ( 1.236 -1.210 0.219) 1.743 2.182 ( -2.239 -2.237 1.644) 3.566 2.344 ( -2.246 -4.033 4.321) 6.323 2.694 ( 1.122 -3.439 -2.140) 4.203 3.183 ( 0.575 31.804 -0.030) 31.810 4.597 ( -0.754 3.814 0.315) 3.901 4.703 ( -2.538 -8.948 -3.116) 9.809 7.958 ( -0.496 4.159 0.816) 4.267 8.511 ( -1.290 3.876 2.677) 4.884 8.773 ( -0.427 3.016 2.253) 3.788 9.128 ( 0.202 -1.367 -2.892) 3.205 9.175 ( -2.706 -5.231 3.024) 6.620 9.617 ( 0.980 -2.113 -3.224) 3.977 ======================= Grid point 154 (63/168) ======================= q-point: ( 0.64 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -1.208 -1.468 1.656) 2.521 0.797 ( 0.171 -5.199 -1.276) 5.356 0.867 ( -0.131 -0.637 -0.013) 0.651 0.981 ( -0.509 -1.314 1.310) 1.924 1.097 ( -0.412 -3.340 -0.848) 3.470 1.126 ( -1.110 -3.052 -1.660) 3.647 1.186 ( 0.125 -0.144 -2.852) 2.859 1.314 ( 2.912 3.461 0.543) 4.556 1.436 ( 1.818 1.370 -0.864) 2.435 1.454 ( 0.896 2.209 0.593) 2.457 1.531 ( -2.222 -4.787 -7.298) 9.006 1.604 ( 1.119 4.339 1.788) 4.824 1.749 ( 0.688 -2.419 0.983) 2.700 1.805 ( 4.967 3.547 3.424) 6.998 1.817 ( -5.392 2.372 -0.360) 5.902 1.897 ( 0.330 0.847 0.660) 1.123 2.021 ( 0.054 -3.417 -1.606) 3.776 2.098 ( 0.116 0.398 -0.731) 0.840 2.222 ( -1.225 -1.757 2.153) 3.037 2.406 ( -2.065 -1.757 4.383) 5.154 2.721 ( 0.073 12.427 -0.174) 12.428 2.745 ( 1.137 -1.045 -2.223) 2.707 4.538 ( -0.679 1.651 0.197) 1.796 4.828 ( 0.145 -5.018 -2.224) 5.491 7.901 ( -0.107 1.310 0.105) 1.319 8.458 ( -1.504 1.373 3.210) 3.802 8.732 ( -0.984 1.234 2.440) 2.906 9.149 ( 0.992 -1.114 -2.643) 3.035 9.253 ( -1.937 -3.222 3.425) 5.085 9.628 ( 1.328 0.965 -3.641) 3.995 ======================= Grid point 155 (64/168) ======================= q-point: (-0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -2.534 -1.986 1.123) 3.410 0.872 ( 2.185 0.773 -1.918) 3.008 0.916 ( 0.664 -5.049 1.056) 5.201 1.006 ( 1.339 -0.988 0.889) 1.887 1.108 ( 0.228 1.561 0.267) 1.600 1.162 ( 1.704 0.558 -1.045) 2.075 1.187 ( -0.944 -2.165 -1.884) 3.021 1.306 ( 3.138 -0.597 -0.076) 3.195 1.384 ( -0.112 4.097 -1.320) 4.306 1.422 ( -0.732 0.581 -4.076) 4.182 1.489 ( 0.362 4.948 3.724) 6.203 1.616 ( -2.499 -3.896 -6.637) 8.091 1.718 ( -2.034 3.383 -0.749) 4.018 1.758 ( 0.106 2.958 1.336) 3.248 1.831 ( 2.526 -2.521 3.249) 4.827 1.903 ( 0.314 -0.336 2.965) 3.000 2.014 ( -0.617 2.020 -2.576) 3.331 2.126 ( -0.077 -2.341 -0.825) 2.484 2.239 ( -0.667 0.010 2.216) 2.314 2.403 ( -2.009 2.090 4.277) 5.167 2.726 ( 0.272 -10.402 -0.163) 10.407 2.746 ( 0.993 -1.019 -2.173) 2.598 4.525 ( -0.143 -0.348 1.231) 1.287 4.888 ( 1.614 -1.122 -2.215) 2.961 7.909 ( -0.102 -2.006 0.168) 2.016 8.459 ( -1.497 -1.447 3.030) 3.676 8.729 ( -1.142 -0.914 2.167) 2.614 9.166 ( 1.563 -0.541 -2.150) 2.712 9.296 ( -2.038 -1.247 2.935) 3.784 9.578 ( 2.090 4.055 -2.183) 5.058 ======================= Grid point 156 (65/168) ======================= q-point: (-0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -3.210 -1.491 -0.904) 3.653 0.820 ( 2.123 5.179 -2.139) 5.992 0.949 ( -3.717 0.397 0.944) 3.855 0.998 ( 0.532 5.024 -0.053) 5.052 1.090 ( -0.990 2.269 3.219) 4.061 1.163 ( 6.834 -0.570 -0.552) 6.880 1.218 ( -1.825 -1.306 -0.166) 2.251 1.272 ( -0.070 1.970 -2.735) 3.372 1.370 ( 0.373 2.412 -0.050) 2.441 1.404 ( 3.639 -1.814 2.008) 4.535 1.439 ( 1.932 0.295 -2.076) 2.851 1.581 ( -0.086 5.824 1.110) 5.930 1.686 ( -4.792 -0.968 -5.457) 7.327 1.708 ( 1.284 1.138 0.285) 1.739 1.873 ( -2.373 1.512 -0.480) 2.855 1.903 ( 1.314 -0.793 1.037) 1.852 1.993 ( 1.057 -0.097 -0.372) 1.125 2.146 ( -0.165 0.359 -0.472) 0.616 2.231 ( -0.741 0.781 2.294) 2.534 2.338 ( -1.921 3.915 3.881) 5.838 2.687 ( 1.080 3.807 -1.886) 4.384 3.167 ( 0.011 -29.007 0.071) 29.007 4.558 ( 0.316 -2.461 2.452) 3.489 4.870 ( 1.367 3.143 -3.320) 4.772 7.971 ( -0.744 -4.093 1.079) 4.298 8.510 ( -1.080 -3.626 2.309) 4.432 8.765 ( -1.165 -2.750 1.601) 3.389 9.175 ( 1.704 0.090 -2.075) 2.687 9.280 ( -3.309 2.227 0.266) 3.998 9.505 ( 3.593 4.210 2.118) 5.926 ======================= Grid point 157 (66/168) ======================= q-point: (-0.09 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 0.641 4.922 -0.721) 5.015 0.722 ( -1.498 2.434 -2.632) 3.885 0.828 ( -1.887 10.071 0.988) 10.293 0.902 ( -4.750 1.900 1.314) 5.282 1.042 ( -0.259 3.120 1.521) 3.481 1.142 ( 5.274 5.422 -0.769) 7.603 1.192 ( -3.347 2.724 -2.470) 4.972 1.279 ( 1.668 -0.661 1.170) 2.142 1.363 ( 0.453 1.917 2.625) 3.282 1.388 ( -0.899 -0.963 -0.278) 1.347 1.476 ( 3.916 4.795 3.905) 7.319 1.541 ( 8.214 -4.210 -0.272) 9.234 1.646 ( -4.331 0.457 -2.395) 4.970 1.687 ( -0.086 3.345 -2.070) 3.934 1.810 ( -3.826 0.298 -5.966) 7.093 1.915 ( -0.348 2.617 2.443) 3.597 1.991 ( 1.001 -0.456 -1.737) 2.056 2.112 ( -0.048 2.694 0.802) 2.811 2.219 ( 0.072 1.156 1.732) 2.084 2.278 ( -1.791 1.210 2.047) 2.977 2.612 ( 0.847 3.599 -0.980) 3.825 3.748 ( 0.814 -27.664 0.384) 27.678 4.597 ( 0.922 3.359 -1.852) 3.945 4.807 ( -1.125 -2.075 -0.752) 2.477 8.056 ( -1.619 -4.696 2.577) 5.596 8.593 ( -0.213 -4.562 1.098) 4.697 8.815 ( -1.133 -1.822 1.094) 2.408 9.154 ( -1.243 4.439 -4.499) 6.441 9.188 ( -1.454 2.308 0.179) 2.734 9.483 ( 3.619 0.798 5.356) 6.513 ======================= Grid point 161 (67/168) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 9.331 0.000 3.526) 9.975 0.612 ( 8.172 0.000 6.307) 10.322 0.684 ( -1.382 -0.000 -4.169) 4.392 0.750 ( 3.678 0.000 -5.025) 6.227 0.969 ( 0.017 0.000 0.733) 0.733 1.032 ( -2.725 -0.000 0.638) 2.799 1.044 ( 1.641 0.000 1.980) 2.571 1.103 ( -1.891 -0.000 2.136) 2.853 1.249 ( -2.097 -0.000 -0.216) 2.109 1.296 ( -5.009 -0.000 -2.055) 5.414 1.389 ( -0.302 -0.000 -0.088) 0.315 1.439 ( -2.416 -0.000 1.047) 2.633 1.569 ( 2.038 0.000 0.311) 2.061 1.583 ( 1.644 0.000 2.413) 2.920 1.756 ( 2.082 0.000 1.872) 2.800 1.853 ( 0.866 0.000 0.003) 0.866 1.896 ( -9.322 -0.000 -5.367) 10.757 2.127 ( -0.434 -0.000 1.725) 1.779 2.256 ( 1.817 0.000 1.141) 2.145 2.369 ( 5.539 0.000 -6.447) 8.499 2.647 ( -0.459 -0.000 0.610) 0.763 3.278 ( 0.331 0.000 -0.064) 0.338 4.730 ( 1.661 0.000 -4.753) 5.035 5.509 ( -6.488 -0.000 11.761) 13.432 8.343 ( -2.735 -0.000 5.570) 6.205 8.429 ( 0.199 0.000 -0.214) 0.292 8.516 ( -0.082 -0.000 0.281) 0.293 8.861 ( 0.159 0.000 2.525) 2.530 9.142 ( -0.705 -0.000 -3.178) 3.255 9.863 ( 2.482 0.000 -3.449) 4.249 ======================= Grid point 162 (68/168) ======================= q-point: ( 0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 6.464 -0.062 3.486) 7.344 0.642 ( 2.258 -1.375 2.718) 3.792 0.746 ( 3.159 -4.359 -2.284) 5.847 0.785 ( 4.208 -1.470 -3.655) 5.765 0.895 ( -0.074 4.774 2.663) 5.467 1.016 ( -4.573 0.496 -2.198) 5.098 1.087 ( -1.439 -1.841 0.343) 2.362 1.135 ( -2.635 -6.877 0.589) 7.388 1.242 ( -3.423 -0.065 2.215) 4.078 1.362 ( 2.149 -3.864 -3.377) 5.563 1.414 ( -1.493 -5.170 -0.044) 5.382 1.449 ( -0.514 -1.575 0.512) 1.734 1.585 ( 1.057 0.405 1.109) 1.584 1.617 ( 2.421 -2.651 1.103) 3.755 1.774 ( 1.939 -0.189 3.600) 4.093 1.854 ( -7.915 -2.666 -3.385) 9.012 1.885 ( 0.993 -2.324 0.049) 2.528 2.106 ( -0.335 2.021 1.214) 2.382 2.247 ( 0.481 1.601 -1.824) 2.474 2.343 ( 5.098 3.440 -3.379) 7.017 2.593 ( -0.895 2.395 1.705) 3.073 3.584 ( -1.351 -24.753 -2.716) 24.939 4.627 ( 1.339 9.460 -4.014) 10.363 5.357 ( -3.390 14.218 7.658) 16.501 8.260 ( -1.354 5.587 3.803) 6.893 8.538 ( -1.163 -9.709 -0.473) 9.790 8.632 ( -0.218 -7.577 0.618) 7.606 8.860 ( -1.081 -0.089 2.927) 3.121 9.118 ( -0.259 1.105 -2.617) 2.853 9.783 ( 1.259 7.610 -2.493) 8.107 ======================= Grid point 163 (69/168) ======================= q-point: ( 0.45 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.610 -0.290 3.680) 3.741 0.714 ( -1.003 -3.192 2.069) 3.934 0.790 ( -0.354 -0.991 -5.844) 5.938 0.841 ( 3.262 1.299 3.946) 5.282 0.856 ( 4.544 -3.130 1.321) 5.674 1.006 ( -4.893 -2.641 -3.822) 6.748 1.081 ( -5.127 0.645 0.436) 5.185 1.243 ( -1.822 -4.673 -2.140) 5.453 1.296 ( 1.349 -6.335 0.591) 6.504 1.438 ( -0.328 -3.924 -2.916) 4.900 1.468 ( 1.841 -1.680 1.032) 2.698 1.530 ( -0.180 -3.784 -1.251) 3.990 1.603 ( 1.534 -1.990 0.978) 2.696 1.681 ( 1.757 -1.868 0.331) 2.586 1.814 ( 1.010 -2.909 1.266) 3.329 1.900 ( -3.593 -4.010 1.326) 5.545 1.952 ( 2.564 -3.896 1.351) 4.856 2.064 ( -0.125 2.106 0.396) 2.147 2.193 ( -1.231 2.654 -3.240) 4.365 2.299 ( 1.378 2.360 0.805) 2.849 2.581 ( -0.095 -1.021 0.187) 1.043 4.046 ( -0.644 -21.594 -2.718) 21.774 4.365 ( 0.835 17.425 -3.133) 17.724 5.017 ( -2.351 18.232 2.821) 18.598 8.157 ( -0.945 5.319 3.019) 6.188 8.676 ( -1.039 1.051 0.414) 1.535 8.741 ( 1.028 -7.665 -1.013) 7.799 8.922 ( -3.432 -6.290 4.371) 8.393 9.095 ( 0.165 0.316 -2.263) 2.291 9.624 ( -0.208 6.548 -2.498) 7.011 ======================= Grid point 164 (70/168) ======================= q-point: ( 0.55 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -1.554 -1.419 2.755) 3.467 0.701 ( -3.619 0.912 -1.316) 3.958 0.835 ( -1.862 -2.365 -0.184) 3.016 0.894 ( 3.517 -3.715 4.218) 6.631 0.927 ( 1.842 -2.049 -1.338) 3.063 1.011 ( -3.751 -1.688 -3.178) 5.198 1.081 ( -3.168 -3.958 -2.100) 5.487 1.334 ( 3.426 -4.159 -1.609) 5.623 1.406 ( 3.844 -2.510 1.026) 4.704 1.462 ( -3.859 -1.290 -1.131) 4.223 1.509 ( 3.137 0.467 -2.084) 3.795 1.596 ( -0.638 -4.494 0.574) 4.575 1.690 ( 3.223 -2.205 1.488) 4.180 1.707 ( -1.473 -3.464 -0.673) 3.824 1.881 ( -0.980 -2.474 -1.909) 3.275 1.930 ( 1.204 0.222 2.472) 2.759 2.020 ( -0.537 2.594 -1.064) 2.855 2.064 ( 2.584 -4.016 1.694) 5.067 2.141 ( -2.063 0.136 -0.311) 2.091 2.283 ( -1.907 -0.998 3.010) 3.700 2.625 ( 0.697 -3.284 -1.446) 3.655 3.848 ( 1.916 32.479 -0.443) 32.539 4.428 ( -1.724 -16.130 -3.063) 16.508 4.725 ( -1.948 9.937 -0.537) 10.141 8.054 ( -0.714 5.404 2.021) 5.814 8.599 ( -0.798 4.880 1.410) 5.141 8.828 ( 0.432 0.561 1.231) 1.420 9.041 ( -3.627 -6.947 2.650) 8.273 9.100 ( 0.944 -1.017 -1.567) 2.094 9.564 ( -0.314 -1.295 -3.980) 4.197 ======================= Grid point 165 (71/168) ======================= q-point: (-0.36 -0.73 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -0.221 -0.894 1.938) 2.145 0.698 ( -1.560 -3.643 -2.318) 4.591 0.850 ( -2.655 -0.965 2.018) 3.472 0.956 ( 0.624 -1.612 1.908) 2.575 1.015 ( 2.678 -4.277 -1.082) 5.161 1.043 ( -2.014 -3.841 -2.532) 5.022 1.143 ( -0.558 -3.380 -2.899) 4.488 1.388 ( 1.186 1.421 -1.052) 2.129 1.441 ( 2.019 -1.702 -4.699) 5.390 1.469 ( -0.333 0.233 1.162) 1.232 1.501 ( 3.767 1.182 2.372) 4.606 1.659 ( -1.379 0.250 -1.039) 1.745 1.696 ( 1.696 -2.114 0.836) 2.836 1.805 ( -3.956 -1.969 0.848) 4.500 1.873 ( -3.687 -1.559 -2.560) 4.752 1.933 ( 5.907 2.708 2.591) 6.996 1.969 ( 0.518 0.814 -1.300) 1.619 2.105 ( 0.096 0.225 -0.828) 0.864 2.171 ( -1.314 -2.984 2.041) 3.847 2.342 ( -2.342 -4.311 4.501) 6.658 2.695 ( 1.084 -3.446 -2.136) 4.197 3.188 ( 0.298 32.302 -0.001) 32.303 4.584 ( -1.208 3.971 -0.961) 4.261 4.673 ( 0.056 -10.176 -2.656) 10.517 7.957 ( -0.309 4.254 0.854) 4.350 8.510 ( -1.270 3.820 2.756) 4.879 8.779 ( -0.748 3.271 2.353) 4.098 9.117 ( 0.766 -1.914 -3.207) 3.813 9.169 ( -1.553 -5.158 3.751) 6.564 9.603 ( 0.243 -2.641 -4.694) 5.392 ======================= Grid point 166 (72/168) ======================= q-point: (-0.27 -0.73 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -1.055 -0.751 1.904) 2.302 0.808 ( 2.364 -6.627 -0.171) 7.038 0.869 ( 0.201 -1.208 0.576) 1.353 0.991 ( 0.480 -1.246 1.577) 2.067 1.088 ( 0.087 -3.270 -2.230) 3.959 1.107 ( -0.400 -3.130 -1.893) 3.680 1.180 ( 1.390 -0.957 -2.246) 2.809 1.340 ( -0.080 2.371 1.396) 2.753 1.427 ( 0.133 2.070 -3.187) 3.802 1.467 ( -1.054 -0.595 -1.373) 1.830 1.491 ( 2.108 3.050 -4.089) 5.520 1.614 ( -0.685 2.493 1.728) 3.110 1.753 ( -4.569 1.823 -0.760) 4.978 1.763 ( 0.991 -2.617 1.598) 3.222 1.883 ( 3.389 2.101 3.735) 5.464 1.909 ( 1.609 1.590 1.171) 2.547 2.006 ( -0.620 -2.838 -2.441) 3.795 2.085 ( -1.203 0.145 -1.630) 2.031 2.223 ( -0.579 -1.938 2.261) 3.034 2.406 ( -2.098 -1.791 4.459) 5.243 2.721 ( 0.110 12.218 -0.220) 12.220 2.747 ( 1.162 -0.791 -2.123) 2.547 4.530 ( -0.716 1.024 -0.064) 1.251 4.823 ( 1.108 -5.560 -2.244) 6.097 7.901 ( -0.001 1.330 0.125) 1.335 8.458 ( -1.450 1.423 3.254) 3.836 8.733 ( -1.113 1.355 2.444) 3.008 9.148 ( 1.383 -1.425 -2.800) 3.433 9.252 ( -1.572 -3.100 3.804) 5.152 9.620 ( 0.935 0.160 -4.152) 4.259 ======================= Grid point 167 (73/168) ======================= q-point: (-0.18 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -2.387 -0.891 1.475) 2.944 0.880 ( 0.808 0.705 -1.393) 1.758 0.920 ( -0.470 -2.219 -0.042) 2.269 1.029 ( 1.172 -1.565 1.568) 2.506 1.115 ( 0.477 -0.130 1.207) 1.304 1.163 ( 0.105 -3.112 -2.154) 3.787 1.192 ( 2.818 0.319 -0.502) 2.881 1.324 ( -0.770 2.083 0.308) 2.242 1.384 ( -1.403 2.439 -5.143) 5.862 1.394 ( 3.439 -0.188 -1.419) 3.725 1.485 ( -2.437 -0.243 -0.311) 2.469 1.573 ( -0.190 0.986 -2.075) 2.305 1.699 ( -0.956 1.834 -0.665) 2.172 1.780 ( 1.702 2.984 2.384) 4.182 1.870 ( 1.085 0.632 2.082) 2.431 1.917 ( 0.280 -0.303 1.592) 1.644 1.997 ( 0.112 0.873 -1.782) 1.988 2.112 ( -1.375 -2.720 -1.458) 3.378 2.243 ( -0.809 0.163 2.221) 2.369 2.403 ( -1.902 2.063 4.309) 5.142 2.727 ( 0.042 -11.336 -0.104) 11.336 2.746 ( 1.065 -0.085 -2.253) 2.494 4.530 ( -0.161 -1.009 1.476) 1.795 4.889 ( 0.679 -1.108 -2.332) 2.669 7.908 ( -0.184 -1.928 0.139) 1.942 8.458 ( -1.433 -1.401 3.025) 3.629 8.727 ( -1.109 -0.794 2.124) 2.524 9.171 ( 1.268 -0.734 -2.374) 2.790 9.285 ( -2.441 -0.318 2.955) 3.846 9.592 ( 2.332 2.469 -1.782) 3.835 ======================= Grid point 168 (74/168) ======================= q-point: (-0.09 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -2.528 -1.017 -0.317) 2.743 0.824 ( 0.531 4.857 -1.977) 5.271 0.900 ( -5.358 1.672 0.354) 5.624 0.998 ( -0.666 5.865 0.373) 5.914 1.097 ( -0.417 2.662 3.153) 4.147 1.190 ( -2.115 -0.568 -0.672) 2.291 1.212 ( 0.080 0.753 -1.327) 1.528 1.271 ( 3.105 -0.211 -0.961) 3.257 1.380 ( 2.152 -1.850 -2.363) 3.693 1.429 ( 0.426 4.293 1.542) 4.581 1.493 ( 6.883 -5.002 0.614) 8.531 1.565 ( -1.506 -0.794 -3.657) 4.034 1.648 ( 0.772 4.448 0.149) 4.516 1.725 ( 1.620 2.120 0.312) 2.686 1.825 ( -4.294 3.639 -2.338) 6.095 1.923 ( 1.205 -0.801 1.379) 1.999 2.009 ( 1.679 0.125 0.028) 1.684 2.134 ( -1.249 -0.396 -1.116) 1.721 2.228 ( -1.899 0.712 2.289) 3.058 2.339 ( -1.575 4.110 4.037) 5.972 2.689 ( 1.130 3.729 -1.951) 4.357 3.168 ( 0.173 -29.339 0.053) 29.340 4.574 ( 0.197 -2.846 2.767) 3.974 4.853 ( -1.168 3.894 -3.529) 5.384 7.967 ( -0.805 -4.018 0.975) 4.212 8.510 ( -1.042 -3.737 2.362) 4.542 8.761 ( -0.936 -2.589 1.619) 3.194 9.175 ( 0.571 0.248 -2.725) 2.795 9.246 ( -3.449 3.236 1.338) 4.915 9.554 ( 3.302 2.773 1.728) 4.645 ======================= Grid point 173 (75/168) ======================= q-point: ( 0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 4.706 0.000 0.257) 4.713 0.690 ( 6.732 0.000 -0.352) 6.741 0.715 ( 5.076 0.000 3.552) 6.195 0.778 ( 5.392 0.000 -2.932) 6.138 0.961 ( -1.216 -0.000 -3.316) 3.532 0.994 ( -7.508 -0.000 -0.562) 7.529 1.003 ( -3.422 -0.000 1.482) 3.729 1.081 ( -3.781 -0.000 2.492) 4.529 1.234 ( -3.658 -0.000 -2.383) 4.366 1.297 ( 6.332 0.000 2.400) 6.772 1.399 ( 1.172 0.000 -0.963) 1.517 1.411 ( -2.750 -0.000 -0.593) 2.813 1.597 ( 1.825 0.000 1.449) 2.330 1.606 ( 0.385 0.000 1.939) 1.977 1.765 ( -9.095 -0.000 -3.711) 9.823 1.796 ( 2.188 0.000 5.566) 5.980 1.860 ( 0.454 0.000 -0.214) 0.502 2.127 ( -0.809 -0.000 1.107) 1.371 2.261 ( 0.459 0.000 -3.272) 3.303 2.412 ( 6.441 0.000 -3.645) 7.401 2.639 ( -1.588 -0.000 0.608) 1.700 3.280 ( 0.222 0.000 -0.182) 0.287 4.711 ( -0.487 -0.000 -4.461) 4.488 5.506 ( -3.788 -0.000 7.832) 8.700 8.343 ( -2.054 -0.000 4.368) 4.827 8.430 ( 0.172 0.000 -0.226) 0.284 8.516 ( -0.095 -0.000 0.276) 0.292 8.864 ( -1.503 -0.000 1.382) 2.042 9.130 ( 0.862 0.000 -1.622) 1.837 9.867 ( 1.536 0.000 -3.256) 3.600 ======================= Grid point 174 (76/168) ======================= q-point: ( 0.45 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 3.535 0.013 0.036) 3.535 0.678 ( 2.606 1.641 3.796) 4.888 0.768 ( 2.203 -0.822 -2.986) 3.801 0.830 ( 3.381 -2.006 0.623) 3.981 0.913 ( 1.858 2.014 0.490) 2.784 0.940 ( -5.168 -0.367 -2.798) 5.888 1.061 ( -2.943 -0.715 0.306) 3.044 1.109 ( -1.697 -6.873 0.696) 7.114 1.206 ( -3.528 -1.260 0.344) 3.762 1.360 ( -0.920 -1.183 -3.503) 3.811 1.423 ( 2.734 -6.518 0.443) 7.081 1.460 ( 1.240 -2.252 -0.424) 2.605 1.594 ( -0.254 0.299 0.930) 1.009 1.646 ( 1.543 -2.295 1.376) 3.089 1.745 ( -6.356 -2.993 -2.643) 7.506 1.838 ( 3.021 -1.594 7.051) 7.835 1.894 ( 0.607 -2.975 0.414) 3.064 2.106 ( -0.700 1.771 0.925) 2.117 2.229 ( -0.124 2.194 -4.880) 5.352 2.385 ( 4.433 4.413 -1.802) 6.510 2.586 ( -1.682 1.901 1.329) 2.866 3.565 ( 0.135 -23.531 -1.811) 23.601 4.612 ( -0.078 8.359 -4.215) 9.362 5.356 ( -2.984 14.352 4.967) 15.477 8.264 ( -1.311 5.386 3.323) 6.462 8.528 ( -0.435 -8.932 -0.045) 8.943 8.634 ( 0.002 -8.008 0.397) 8.018 8.850 ( -2.487 0.095 1.222) 2.773 9.116 ( 1.348 1.426 -0.811) 2.123 9.779 ( 0.664 8.083 -3.044) 8.662 ======================= Grid point 175 (77/168) ======================= q-point: (-0.45 -0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -0.894 1.668 2.610) 3.224 0.701 ( -3.550 0.134 1.199) 3.749 0.755 ( 0.266 -1.805 -3.674) 4.102 0.891 ( -2.447 -2.990 -0.300) 3.875 0.910 ( 5.235 0.241 -1.053) 5.345 0.950 ( 1.126 -1.577 1.286) 2.325 1.026 ( -3.435 0.593 -0.645) 3.545 1.232 ( 1.098 -6.509 -1.128) 6.697 1.312 ( 1.148 -7.644 0.929) 7.785 1.414 ( -1.350 -4.404 -2.820) 5.401 1.490 ( 0.423 -1.310 1.344) 1.924 1.536 ( 2.402 -2.491 -1.202) 3.664 1.610 ( -0.640 -2.489 -0.297) 2.587 1.697 ( 0.503 -1.912 0.566) 2.056 1.792 ( -3.103 -4.436 -0.687) 5.457 1.914 ( 1.738 -2.454 3.130) 4.340 1.982 ( 1.654 -4.848 2.243) 5.592 2.067 ( -0.159 2.184 1.123) 2.461 2.162 ( -0.936 2.442 -3.721) 4.548 2.314 ( 0.679 3.639 0.598) 3.749 2.578 ( -0.437 -1.281 -0.215) 1.371 4.034 ( 1.152 -22.755 -2.551) 22.927 4.359 ( 0.844 18.004 -2.735) 18.230 4.999 ( -2.711 18.934 1.314) 19.172 8.162 ( -1.034 5.343 2.972) 6.201 8.670 ( -0.524 0.155 0.847) 1.008 8.751 ( 1.670 -7.170 -1.415) 7.497 8.897 ( -4.324 -6.243 2.798) 8.093 9.101 ( 1.887 0.530 -0.102) 1.963 9.602 ( -0.656 7.123 -4.034) 8.212 ======================= Grid point 176 (78/168) ======================= q-point: (-0.36 -0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -1.867 -2.194 2.464) 3.791 0.654 ( -2.268 0.764 -2.582) 3.520 0.800 ( -2.804 -2.255 0.006) 3.598 0.931 ( 1.375 -1.278 -2.032) 2.766 0.937 ( -2.736 -4.157 -1.112) 5.099 1.000 ( 5.491 -0.893 2.008) 5.914 1.058 ( 0.658 -3.968 -0.647) 4.073 1.352 ( 1.936 -4.381 -3.639) 6.015 1.421 ( -3.270 -1.466 0.601) 3.633 1.471 ( 5.821 -2.656 2.756) 6.967 1.531 ( 2.298 -0.456 -1.672) 2.879 1.587 ( -1.165 -4.003 0.679) 4.223 1.672 ( -3.703 -4.515 -1.883) 6.136 1.728 ( 1.931 -0.966 1.619) 2.699 1.832 ( -4.345 -0.585 -1.809) 4.743 1.962 ( 1.702 -1.215 -0.309) 2.114 2.019 ( 0.977 2.132 0.479) 2.394 2.074 ( -0.854 -3.129 -0.920) 3.371 2.147 ( 1.677 -0.289 2.783) 3.262 2.274 ( -2.248 -0.756 2.804) 3.673 2.624 ( 0.482 -3.453 -1.612) 3.841 3.855 ( -0.211 32.548 -0.648) 32.555 4.418 ( 2.882 -15.884 -2.671) 16.363 4.697 ( -2.014 9.770 -1.401) 10.074 8.057 ( -0.684 5.504 2.119) 5.937 8.598 ( -0.745 4.824 1.423) 5.084 8.836 ( -0.122 0.879 1.188) 1.483 9.018 ( -1.914 -7.361 1.026) 7.675 9.115 ( 1.854 -0.795 0.892) 2.205 9.532 ( -0.821 -1.621 -5.666) 5.950 ======================= Grid point 177 (79/168) ======================= q-point: (-0.27 -0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.765 -0.113 2.772) 2.878 0.688 ( 1.779 -6.417 -1.419) 6.809 0.828 ( -2.626 -2.505 1.286) 3.850 0.964 ( 0.494 -1.822 -1.445) 2.377 1.010 ( -0.863 -4.387 -2.561) 5.153 1.054 ( 3.885 -1.601 -0.112) 4.203 1.139 ( 1.503 -3.284 -0.588) 3.659 1.359 ( -2.355 1.022 -3.295) 4.178 1.442 ( 0.792 -0.841 -2.619) 2.863 1.487 ( 1.699 2.711 0.633) 3.262 1.572 ( 5.346 0.840 3.668) 6.538 1.632 ( -2.326 -0.427 -0.471) 2.412 1.710 ( -0.577 -2.385 -0.204) 2.462 1.748 ( -4.809 0.552 -0.103) 4.842 1.830 ( -2.395 -4.822 -1.250) 5.527 1.959 ( 0.650 0.268 -1.467) 1.627 2.016 ( 4.697 2.478 2.473) 5.858 2.087 ( -1.850 0.683 -2.164) 2.928 2.175 ( -0.076 -2.595 2.204) 3.405 2.340 ( -2.236 -4.502 4.738) 6.907 2.695 ( 0.962 -3.548 -2.173) 4.270 3.188 ( -0.192 32.215 0.005) 32.216 4.564 ( -1.190 3.459 -1.308) 3.885 4.677 ( 3.031 -9.838 -2.660) 10.632 7.960 ( -0.153 4.332 0.938) 4.435 8.511 ( -1.210 3.747 2.756) 4.806 8.781 ( -1.147 3.344 2.386) 4.265 9.113 ( 1.408 -2.526 -3.194) 4.308 9.180 ( -0.094 -4.356 4.266) 6.097 9.575 ( -0.416 -3.334 -5.658) 6.580 ======================= Grid point 178 (80/168) ======================= q-point: (-0.18 -0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -0.469 0.369 3.395) 3.447 0.840 ( 2.932 -5.546 0.265) 6.279 0.876 ( 0.837 -2.613 -0.570) 2.802 0.997 ( -0.736 -2.047 0.863) 2.340 1.082 ( 2.305 -3.136 -3.786) 5.430 1.100 ( 0.222 -2.408 -0.836) 2.559 1.194 ( 2.621 -1.549 -1.238) 3.287 1.317 ( -3.194 0.581 -1.305) 3.499 1.432 ( 1.962 2.976 -0.886) 3.672 1.436 ( -0.826 0.189 -4.355) 4.437 1.492 ( -0.621 6.671 -1.271) 6.820 1.618 ( -0.444 1.366 3.169) 3.479 1.714 ( -1.953 0.385 -0.014) 1.991 1.788 ( 1.707 -2.453 2.059) 3.629 1.888 ( -2.366 -2.211 0.434) 3.267 1.955 ( 2.391 3.944 1.089) 4.739 1.993 ( 0.521 -1.566 -1.470) 2.210 2.061 ( -0.884 0.119 -1.389) 1.650 2.230 ( -0.343 -1.848 1.995) 2.741 2.406 ( -2.148 -1.825 4.521) 5.327 2.721 ( 0.113 11.919 -0.276) 11.923 2.748 ( 1.098 -0.454 -2.122) 2.432 4.523 ( -0.569 0.352 0.051) 0.671 4.828 ( 2.036 -5.003 -2.377) 5.901 7.903 ( 0.089 1.452 0.156) 1.463 8.460 ( -1.412 1.474 3.249) 3.837 8.733 ( -1.208 1.379 2.421) 3.036 9.150 ( 1.598 -1.444 -2.991) 3.685 9.258 ( -1.065 -2.368 4.275) 5.002 9.606 ( 0.647 -1.133 -4.438) 4.626 ======================= Grid point 179 (81/168) ======================= q-point: (-0.09 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -1.668 0.265 2.573) 3.078 0.873 ( -1.056 0.873 -1.042) 1.721 0.907 ( -0.733 0.908 -2.169) 2.463 1.039 ( -1.033 -0.949 1.802) 2.284 1.126 ( -0.077 -1.184 1.026) 1.569 1.158 ( 1.032 -2.043 -1.860) 2.949 1.219 ( 1.758 0.122 -1.241) 2.156 1.301 ( -2.637 0.393 -0.502) 2.713 1.348 ( 1.244 2.873 -4.933) 5.842 1.434 ( 3.102 -2.947 -1.072) 4.411 1.465 ( 1.177 -1.755 -0.436) 2.158 1.580 ( 1.073 3.075 1.659) 3.655 1.686 ( -0.861 1.167 -0.930) 1.723 1.813 ( 1.743 1.936 2.527) 3.629 1.856 ( -3.346 2.894 -0.872) 4.509 1.941 ( 2.471 0.482 0.996) 2.708 2.000 ( 0.782 -0.640 -0.356) 1.072 2.086 ( -1.568 -2.639 -1.223) 3.305 2.243 ( -1.209 0.611 1.980) 2.399 2.405 ( -1.904 1.936 4.341) 5.120 2.726 ( -0.151 -12.205 -0.113) 12.206 2.746 ( 1.085 0.798 -2.347) 2.706 4.536 ( -0.204 -1.608 1.546) 2.240 4.879 ( -0.151 -0.096 -2.473) 2.479 7.906 ( -0.230 -1.765 0.117) 1.784 8.458 ( -1.418 -1.362 3.039) 3.619 8.727 ( -1.022 -0.772 2.170) 2.520 9.169 ( 0.821 -0.500 -2.713) 2.878 9.274 ( -2.446 0.839 3.272) 4.171 9.608 ( 2.278 0.763 -1.909) 3.068 ======================= Grid point 185 (82/168) ======================= q-point: (-0.55 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 3.437 0.000 0.588) 3.487 0.749 ( -0.814 -0.000 0.566) 0.991 0.795 ( 5.849 0.000 1.670) 6.083 0.833 ( 5.751 0.000 -1.256) 5.886 0.861 ( -4.098 -0.000 -6.186) 7.421 0.972 ( -0.609 -0.000 0.860) 1.054 0.976 ( -3.228 -0.000 2.782) 4.261 1.058 ( -2.289 -0.000 2.741) 3.571 1.201 ( 0.043 0.000 -1.797) 1.798 1.335 ( -7.480 -0.000 2.574) 7.910 1.377 ( -1.968 -0.000 -1.891) 2.730 1.394 ( 5.495 0.000 -6.189) 8.277 1.616 ( -2.079 -0.000 3.153) 3.776 1.620 ( 0.836 0.000 1.933) 2.106 1.682 ( -1.429 -0.000 -2.399) 2.792 1.861 ( 0.044 0.000 -0.399) 0.402 1.869 ( 4.287 0.000 8.843) 9.827 2.120 ( -1.248 -0.000 0.352) 1.297 2.240 ( -0.201 -0.000 -4.987) 4.991 2.461 ( 5.276 0.000 -3.017) 6.077 2.621 ( -2.189 -0.000 0.824) 2.339 3.281 ( 0.058 0.000 -0.274) 0.280 4.676 ( -1.312 -0.000 -5.184) 5.348 5.499 ( -3.724 -0.000 5.539) 6.675 8.341 ( -1.980 -0.000 3.745) 4.236 8.431 ( 0.122 0.000 -0.235) 0.265 8.517 ( -0.120 -0.000 0.271) 0.296 8.846 ( -2.018 -0.000 -0.143) 2.023 9.142 ( 1.854 0.000 0.064) 1.855 9.866 ( 1.322 0.000 -3.181) 3.444 ======================= Grid point 186 (83/168) ======================= q-point: (-0.45 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 1.369 1.370 -0.552) 2.014 0.695 ( -4.126 2.230 3.507) 5.857 0.757 ( -4.915 1.474 -5.081) 7.221 0.819 ( 2.134 -0.837 -0.132) 2.296 0.921 ( 0.763 -0.401 -0.023) 0.862 0.966 ( 7.022 -1.196 0.893) 7.179 1.031 ( -1.881 -0.004 -0.106) 1.884 1.110 ( -0.139 -5.493 1.756) 5.769 1.184 ( -1.021 -3.879 0.712) 4.073 1.319 ( -2.087 -2.047 -4.148) 5.075 1.428 ( -3.759 -5.960 0.595) 7.072 1.477 ( 4.647 -4.262 -2.767) 6.886 1.576 ( -4.453 0.497 0.731) 4.540 1.677 ( 3.582 -0.655 1.310) 3.870 1.695 ( -1.708 -3.566 0.172) 3.957 1.885 ( 0.243 -2.090 0.202) 2.113 1.938 ( 4.738 -2.059 7.743) 9.308 2.100 ( -1.154 1.204 0.718) 1.815 2.197 ( -0.814 2.540 -5.562) 6.169 2.416 ( 2.876 5.494 -2.038) 6.528 2.571 ( -2.120 1.282 1.153) 2.732 3.568 ( 1.998 -23.627 -1.411) 23.754 4.582 ( -0.834 7.242 -5.110) 8.902 5.343 ( -3.504 14.579 4.025) 15.525 8.266 ( -1.418 5.187 3.334) 6.327 8.528 ( 0.426 -8.967 0.149) 8.979 8.635 ( -0.186 -8.445 0.521) 8.463 8.823 ( -2.504 0.626 -0.445) 2.619 9.136 ( 2.177 1.449 0.597) 2.683 9.768 ( 0.386 8.914 -3.515) 9.590 ======================= Grid point 187 (84/168) ======================= q-point: (-0.36 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -6.187 1.728 1.274) 6.548 0.651 ( -3.296 0.973 -4.229) 5.449 0.756 ( -0.361 -2.391 1.533) 2.862 0.843 ( -2.108 -1.824 -0.481) 2.829 0.927 ( 2.050 0.017 -3.138) 3.749 1.018 ( 2.294 -0.827 0.070) 2.440 1.027 ( 5.463 -0.866 4.498) 7.129 1.239 ( 0.863 -6.886 -1.485) 7.097 1.337 ( 2.127 -7.067 1.244) 7.485 1.379 ( -2.162 -6.460 -3.287) 7.564 1.489 ( -1.175 -2.158 0.592) 2.528 1.562 ( 0.714 -1.669 0.133) 1.820 1.573 ( -3.134 -2.936 -2.264) 4.854 1.710 ( 1.842 -1.778 0.626) 2.636 1.775 ( -0.821 -3.652 2.154) 4.319 1.927 ( -0.496 -2.015 -0.620) 2.165 2.020 ( 2.669 -1.951 1.703) 3.719 2.073 ( -0.163 2.081 2.000) 2.891 2.139 ( -0.384 -0.198 -1.405) 1.470 2.319 ( -0.142 4.440 -0.117) 4.444 2.570 ( -0.645 -1.591 -0.470) 1.780 4.045 ( 3.096 -20.843 -2.270) 21.193 4.356 ( 1.506 15.179 -3.397) 15.627 4.973 ( -2.940 19.476 1.261) 19.737 8.165 ( -1.221 5.305 3.220) 6.325 8.674 ( 0.260 1.011 1.062) 1.490 8.761 ( 1.691 -7.689 -1.644) 8.042 8.865 ( -3.278 -6.887 1.892) 7.859 9.130 ( 2.593 0.457 1.343) 2.956 9.569 ( -1.071 7.914 -5.120) 9.487 ======================= Grid point 188 (85/168) ======================= q-point: (-0.27 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -1.208 -5.258 0.001) 5.395 0.637 ( 0.155 -0.951 -0.394) 1.041 0.778 ( -1.642 -0.589 0.769) 1.906 0.899 ( -2.316 -4.978 0.033) 5.491 0.944 ( 3.525 -0.841 -3.344) 4.931 1.054 ( 2.914 -1.183 -2.200) 3.838 1.099 ( 4.582 -2.168 4.807) 6.986 1.343 ( 0.952 -2.375 -4.920) 5.545 1.393 ( -2.736 -2.188 0.822) 3.598 1.525 ( -1.541 -3.833 -2.742) 4.958 1.551 ( 5.261 -3.707 3.118) 7.152 1.592 ( 0.678 -2.865 1.072) 3.133 1.607 ( -5.055 -4.159 -2.273) 6.930 1.735 ( -2.679 0.257 0.599) 2.757 1.798 ( 0.154 1.300 0.709) 1.489 1.962 ( -0.131 -1.297 -1.576) 2.045 2.037 ( 0.873 -0.845 0.409) 1.282 2.061 ( -0.104 -1.064 -1.097) 1.532 2.182 ( 1.401 0.166 2.699) 3.046 2.266 ( -1.933 -1.255 3.128) 3.886 2.619 ( 0.305 -3.689 -1.725) 4.084 3.837 ( -2.147 31.024 -0.689) 31.106 4.462 ( 7.393 -14.045 -3.009) 16.155 4.669 ( -1.721 9.522 -1.105) 9.739 8.061 ( -0.753 5.500 2.335) 6.023 8.597 ( -0.683 4.804 1.342) 5.035 8.837 ( -0.933 1.163 1.371) 2.026 9.015 ( 0.809 -7.634 0.122) 7.677 9.148 ( 2.384 -0.455 2.506) 3.488 9.488 ( -1.308 -1.869 -6.672) 7.051 ======================= Grid point 189 (86/168) ======================= q-point: (-0.18 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 1.664 0.385 4.092) 4.434 0.724 ( 5.295 -8.249 -0.026) 9.802 0.806 ( -1.887 -3.637 -0.298) 4.108 0.958 ( 1.384 -1.258 -3.602) 4.058 1.002 ( 0.380 -4.776 0.111) 4.793 1.082 ( 2.219 -0.764 -2.530) 3.451 1.171 ( 3.170 -1.886 2.103) 4.246 1.320 ( -1.196 1.530 -3.859) 4.320 1.428 ( -0.872 -0.824 -2.719) 2.972 1.496 ( -0.740 2.488 -0.561) 2.656 1.592 ( -3.283 3.403 -1.947) 5.113 1.629 ( -0.734 -0.207 2.558) 2.669 1.707 ( 3.210 -2.709 2.650) 4.966 1.717 ( -2.707 -4.202 0.055) 4.999 1.810 ( -0.608 -2.791 0.273) 2.870 1.959 ( 0.285 0.032 -0.942) 0.984 2.039 ( -2.574 2.405 -2.347) 4.233 2.078 ( 3.116 0.250 0.888) 3.250 2.187 ( 0.220 -2.050 1.795) 2.734 2.341 ( -2.089 -4.365 4.831) 6.838 2.694 ( 0.801 -3.696 -2.229) 4.390 3.184 ( -0.574 31.562 -0.021) 31.567 4.547 ( -0.827 2.909 -0.938) 3.166 4.710 ( 5.407 -8.458 -2.787) 10.418 7.963 ( -0.093 4.379 1.047) 4.504 8.512 ( -1.189 3.671 2.667) 4.690 8.779 ( -1.370 3.256 2.384) 4.261 9.116 ( 2.070 -2.553 -3.028) 4.469 9.210 ( 1.197 -3.365 4.760) 5.951 9.537 ( -0.950 -4.170 -6.026) 7.390 ======================= Grid point 190 (87/168) ======================= q-point: (-0.09 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -0.112 1.662 4.635) 4.925 0.868 ( 1.992 -1.474 -0.185) 2.485 0.875 ( 0.690 -3.757 -3.228) 5.001 0.990 ( -0.410 -2.893 0.008) 2.922 1.100 ( 1.129 -4.117 -0.745) 4.333 1.101 ( 2.778 -1.255 -1.832) 3.556 1.220 ( 2.858 -1.110 -1.266) 3.317 1.278 ( -1.565 0.511 -1.947) 2.549 1.398 ( -1.972 1.178 -2.252) 3.217 1.454 ( 2.013 1.614 -1.076) 2.795 1.467 ( -2.235 4.702 -1.434) 5.400 1.640 ( 0.661 0.840 4.504) 4.629 1.705 ( 0.026 1.631 0.023) 1.631 1.819 ( 1.868 -2.677 1.661) 3.663 1.852 ( -3.619 -2.034 -0.491) 4.180 1.943 ( -3.409 1.632 -2.486) 4.524 2.000 ( 1.518 -1.594 -0.327) 2.225 2.071 ( 2.386 1.838 0.793) 3.115 2.235 ( -0.516 -1.506 1.645) 2.289 2.406 ( -2.195 -1.855 4.508) 5.346 2.721 ( 0.163 11.483 -0.309) 11.488 2.749 ( 0.991 -0.013 -2.178) 2.393 4.519 ( -0.358 -0.146 0.357) 0.526 4.842 ( 2.647 -3.529 -2.439) 5.041 7.905 ( 0.124 1.641 0.186) 1.656 8.461 ( -1.442 1.509 3.195) 3.816 8.732 ( -1.220 1.318 2.392) 2.991 9.152 ( 1.617 -1.139 -2.964) 3.563 9.272 ( -0.641 -1.113 4.474) 4.654 9.590 ( 0.597 -2.688 -4.398) 5.189 ======================= Grid point 197 (88/168) ======================= q-point: (-0.45 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 4.144 0.000 0.214) 4.149 0.694 ( -11.225 -0.000 -3.896) 11.882 0.702 ( -7.416 -0.000 -0.343) 7.424 0.888 ( 5.357 0.000 -1.504) 5.565 0.933 ( 4.907 0.000 -1.115) 5.032 0.963 ( -2.259 -0.000 3.898) 4.505 0.987 ( 5.421 0.000 1.078) 5.527 1.064 ( 0.226 0.000 3.348) 3.355 1.204 ( -12.782 -0.000 -0.696) 12.801 1.213 ( 2.895 0.000 -1.630) 3.322 1.354 ( 0.040 0.000 -2.163) 2.164 1.439 ( 5.906 0.000 -3.321) 6.776 1.574 ( -6.163 -0.000 2.045) 6.493 1.634 ( -0.260 -0.000 2.040) 2.057 1.709 ( 4.728 0.000 -0.032) 4.728 1.857 ( -0.323 -0.000 -0.511) 0.604 1.974 ( 6.009 0.000 8.784) 10.643 2.104 ( -1.644 -0.000 -0.350) 1.681 2.205 ( -1.381 -0.000 -5.110) 5.293 2.493 ( 3.608 0.000 -3.429) 4.977 2.600 ( -2.336 -0.000 0.876) 2.495 3.279 ( -0.110 -0.000 -0.311) 0.330 4.628 ( -1.822 -0.000 -6.484) 6.736 5.485 ( -3.934 -0.000 5.858) 7.057 8.341 ( -1.741 -0.000 4.270) 4.611 8.430 ( 0.066 0.000 -0.238) 0.247 8.517 ( -0.149 -0.000 0.269) 0.307 8.822 ( -1.758 -0.000 -1.143) 2.097 9.167 ( 2.175 0.000 0.818) 2.324 9.863 ( 1.254 0.000 -3.508) 3.725 ======================= Grid point 198 (89/168) ======================= q-point: (-0.36 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -9.697 4.881 0.719) 10.880 0.623 ( -8.070 0.318 -8.753) 11.910 0.697 ( -0.757 -1.946 4.199) 4.690 0.878 ( 5.392 2.588 1.061) 6.074 0.926 ( 1.141 -0.896 -0.848) 1.681 1.010 ( -0.791 -1.043 0.415) 1.373 1.061 ( 5.877 0.319 1.098) 5.987 1.101 ( -4.030 -6.066 0.388) 7.293 1.182 ( 0.644 -7.117 2.336) 7.518 1.299 ( 2.964 -2.183 -3.706) 5.224 1.384 ( -2.396 -5.386 -1.502) 6.083 1.512 ( -0.970 -2.077 -0.368) 2.322 1.529 ( -0.098 -0.876 0.816) 1.201 1.686 ( -1.178 -3.638 1.245) 4.022 1.730 ( 3.883 -0.010 1.398) 4.127 1.881 ( -0.284 -2.240 -0.611) 2.339 2.032 ( 4.836 -0.161 4.721) 6.761 2.093 ( -0.714 -0.139 2.436) 2.542 2.154 ( -1.825 2.532 -5.243) 6.101 2.424 ( 0.875 6.473 -2.822) 7.115 2.553 ( -2.063 0.616 1.203) 2.467 3.596 ( 4.572 -25.173 -1.474) 25.627 4.540 ( -1.501 6.099 -6.323) 8.912 5.327 ( -3.523 14.976 5.460) 16.325 8.268 ( -1.480 5.177 4.029) 6.725 8.540 ( 1.625 -9.834 0.188) 9.969 8.637 ( -0.199 -8.806 1.317) 8.906 8.793 ( -1.917 1.195 -1.444) 2.681 9.166 ( 2.434 1.228 0.968) 2.893 9.749 ( -0.188 10.032 -4.244) 10.894 ======================= Grid point 199 (90/168) ======================= q-point: (-0.27 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -7.708 -1.142 0.097) 7.793 0.588 ( -3.608 -2.100 -5.144) 6.625 0.757 ( -1.112 -3.274 2.870) 4.493 0.850 ( 1.356 1.908 2.514) 3.435 0.951 ( 5.156 -0.377 -3.206) 6.083 1.039 ( 1.735 -1.298 -0.570) 2.240 1.106 ( 3.476 -1.826 4.760) 6.171 1.235 ( -0.205 -7.049 -1.091) 7.136 1.335 ( -1.608 -6.439 -4.078) 7.789 1.361 ( 0.736 -4.750 0.282) 4.815 1.479 ( -3.953 -5.147 -1.774) 6.728 1.492 ( -1.704 -2.371 -0.844) 3.040 1.603 ( 2.874 -1.048 1.568) 3.437 1.727 ( 0.346 -0.559 -0.208) 0.689 1.787 ( -0.366 -3.473 3.739) 5.116 1.916 ( 0.376 -1.478 -1.194) 1.937 2.039 ( 0.563 0.197 -1.137) 1.284 2.070 ( -0.933 2.352 -1.938) 3.187 2.156 ( 1.574 -2.734 4.952) 5.871 2.310 ( -0.947 4.414 -1.053) 4.636 2.560 ( -0.617 -1.796 -0.415) 1.944 4.076 ( 4.258 -14.818 -1.808) 15.523 4.358 ( 3.024 8.297 -5.332) 10.316 4.953 ( -2.503 19.915 3.027) 20.299 8.168 ( -1.498 5.305 3.749) 6.666 8.683 ( 0.320 3.088 0.747) 3.194 8.770 ( 1.175 -8.062 -1.383) 8.264 8.855 ( 0.242 -8.713 2.102) 8.966 9.169 ( 2.773 0.135 1.854) 3.338 9.524 ( -1.928 8.622 -5.788) 10.562 ======================= Grid point 200 (91/168) ======================= q-point: (-0.18 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 3.070 -8.976 0.225) 9.489 0.640 ( 0.560 -4.605 -0.321) 4.650 0.775 ( -0.167 1.325 1.933) 2.350 0.890 ( -0.384 -4.616 1.775) 4.961 0.976 ( 5.183 0.043 -2.952) 5.965 1.065 ( 1.441 -0.918 -2.343) 2.900 1.171 ( 3.571 -1.330 4.688) 6.041 1.332 ( 2.391 -0.681 -5.789) 6.301 1.363 ( -3.382 -2.875 0.488) 4.465 1.478 ( -3.766 -2.926 -3.623) 5.989 1.515 ( -7.020 -8.245 -2.449) 11.103 1.606 ( 0.683 -2.250 1.623) 2.857 1.621 ( 1.654 -1.215 0.950) 2.261 1.708 ( -0.409 0.145 0.639) 0.773 1.825 ( 1.715 1.174 3.354) 3.946 1.953 ( -0.160 -1.447 -1.115) 1.834 2.034 ( -0.811 -0.093 -1.462) 1.675 2.062 ( 0.857 -2.001 -0.549) 2.245 2.202 ( 0.228 1.408 1.543) 2.101 2.267 ( -1.030 -2.358 3.753) 4.550 2.613 ( 0.260 -3.863 -1.695) 4.227 3.806 ( -2.773 29.292 -0.522) 29.428 4.536 ( 8.592 -11.415 -5.003) 15.138 4.656 ( 0.089 8.793 1.199) 8.875 8.064 ( -0.958 5.422 2.610) 6.093 8.596 ( -0.710 4.750 1.169) 4.943 8.832 ( -1.212 1.208 1.684) 2.401 9.037 ( 3.278 -6.795 -0.606) 7.569 9.193 ( 2.744 -0.525 3.929) 4.821 9.435 ( -1.909 -2.177 -6.942) 7.522 ======================= Grid point 201 (92/168) ======================= q-point: (-0.09 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 1.898 0.731 4.429) 4.874 0.779 ( 1.358 -4.426 -3.192) 5.623 0.805 ( 5.147 -7.721 3.108) 9.786 0.963 ( 2.643 -0.600 -3.266) 4.244 1.014 ( 1.088 -4.098 1.191) 4.404 1.085 ( 0.953 -1.297 -2.432) 2.917 1.216 ( 2.768 -0.658 1.815) 3.375 1.298 ( 1.168 1.993 -4.018) 4.635 1.393 ( -2.686 -0.307 -3.236) 4.216 1.464 ( -3.812 -0.355 -1.280) 4.037 1.531 ( -4.520 3.404 -2.381) 6.139 1.639 ( 0.030 -1.173 2.411) 2.682 1.679 ( -2.945 -7.425 -0.770) 8.025 1.778 ( 4.713 0.446 3.856) 6.106 1.818 ( 0.681 -1.244 2.082) 2.519 1.943 ( -2.526 1.126 -2.386) 3.653 2.000 ( -1.047 1.342 -1.957) 2.594 2.113 ( 2.297 -0.287 0.500) 2.368 2.198 ( 0.260 -1.719 1.508) 2.302 2.343 ( -2.062 -3.991 4.661) 6.473 2.690 ( 0.709 -3.819 -2.223) 4.475 3.177 ( -0.625 30.621 -0.035) 30.627 4.537 ( -0.404 2.422 -0.212) 2.465 4.762 ( 6.468 -6.455 -2.811) 9.561 7.968 ( -0.167 4.380 1.144) 4.530 8.512 ( -1.224 3.598 2.523) 4.562 8.776 ( -1.362 3.139 2.316) 4.132 9.126 ( 2.576 -2.023 -2.766) 4.287 9.254 ( 1.874 -2.150 5.120) 5.860 9.494 ( -1.137 -5.252 -5.694) 7.830 ======================= Grid point 209 (93/168) ======================= q-point: (-0.36 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -10.942 -0.000 -5.857) 12.411 0.596 ( -11.049 -0.000 -0.327) 11.054 0.694 ( 2.169 0.000 1.136) 2.449 0.911 ( -10.382 -0.000 0.532) 10.395 0.916 ( -0.059 -0.000 -0.103) 0.119 0.982 ( 2.945 0.000 3.090) 4.269 0.987 ( -1.744 -0.000 -5.243) 5.525 1.091 ( 0.964 0.000 3.239) 3.380 1.194 ( 10.067 0.000 4.398) 10.986 1.227 ( 1.560 0.000 -3.614) 3.936 1.367 ( 3.681 0.000 -0.492) 3.714 1.484 ( 2.446 0.000 0.461) 2.489 1.522 ( -3.105 -0.000 1.067) 3.284 1.636 ( -1.183 -0.000 1.836) 2.184 1.758 ( 3.614 0.000 0.333) 3.629 1.849 ( -0.659 -0.000 -0.507) 0.831 2.064 ( 0.938 0.000 -0.582) 1.104 2.099 ( 3.052 0.000 5.405) 6.207 2.158 ( -2.362 -0.000 -4.447) 5.035 2.507 ( 2.404 0.000 -3.869) 4.555 2.576 ( -2.844 -0.000 0.322) 2.862 3.275 ( -0.229 -0.000 -0.281) 0.363 4.568 ( -2.604 -0.000 -7.542) 7.979 5.484 ( -2.654 -0.000 9.205) 9.580 8.352 ( -0.898 -0.000 6.541) 6.603 8.430 ( 0.021 0.000 -0.235) 0.236 8.516 ( -0.171 -0.000 0.270) 0.320 8.797 ( -1.336 -0.000 -1.480) 1.994 9.195 ( 2.153 0.000 0.643) 2.247 9.854 ( 0.796 0.000 -4.862) 4.927 ======================= Grid point 210 (94/168) ======================= q-point: (-0.27 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -13.202 4.494 -1.150) 13.993 0.495 ( -8.779 -2.104 -3.851) 9.815 0.715 ( 0.800 -1.013 1.272) 1.812 0.906 ( -5.235 -3.109 2.002) 6.409 0.945 ( 3.899 0.863 -0.876) 4.088 0.988 ( -2.043 -3.728 -2.422) 4.893 1.052 ( -2.605 -6.111 2.538) 7.112 1.108 ( 2.883 -0.717 0.570) 3.025 1.238 ( 4.584 -2.965 1.991) 5.811 1.323 ( 4.594 -3.015 -4.232) 6.936 1.380 ( 2.659 -1.045 0.236) 2.867 1.467 ( -3.588 0.712 0.373) 3.677 1.576 ( 3.978 -3.527 2.845) 6.030 1.678 ( -1.699 -3.737 1.662) 4.429 1.762 ( 0.719 0.659 0.382) 1.047 1.882 ( 1.279 -2.703 -0.286) 3.004 2.043 ( -2.109 0.747 -3.103) 3.825 2.103 ( -2.169 2.258 -2.720) 4.148 2.151 ( 4.591 -0.758 4.798) 6.684 2.404 ( -1.579 6.898 -3.625) 7.951 2.540 ( -1.516 0.053 1.526) 2.152 3.657 ( 8.475 -28.053 -2.586) 29.419 4.483 ( -2.489 4.941 -7.090) 8.994 5.331 ( -2.244 16.148 9.105) 18.674 8.276 ( -1.560 5.654 5.261) 7.879 8.565 ( 2.857 -10.821 -0.465) 11.201 8.652 ( 1.360 -9.991 3.741) 10.754 8.767 ( -1.262 1.656 -1.773) 2.735 9.197 ( 2.364 0.843 0.525) 2.564 9.714 ( -1.877 11.267 -5.643) 12.741 ======================= Grid point 211 (95/168) ======================= q-point: (-0.18 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -2.624 -7.079 1.253) 7.653 0.527 ( -3.395 -5.418 -2.765) 6.966 0.763 ( 0.245 -3.031 0.972) 3.193 0.883 ( 1.158 2.501 3.567) 4.508 0.991 ( 4.855 -1.174 -4.299) 6.590 1.048 ( -0.847 -2.520 1.619) 3.113 1.144 ( 0.156 -4.122 2.240) 4.694 1.220 ( -2.126 -8.513 1.273) 8.866 1.312 ( -0.152 -3.374 -1.204) 3.585 1.365 ( 2.927 -0.276 -4.095) 5.041 1.403 ( -4.825 -1.737 -2.426) 5.673 1.516 ( 3.125 -5.658 0.164) 6.465 1.638 ( 1.177 -0.171 2.109) 2.421 1.716 ( -1.654 0.548 -0.589) 1.840 1.794 ( -1.255 -4.630 3.605) 6.001 1.933 ( 2.683 -0.899 -0.289) 2.845 2.017 ( -2.562 -1.033 -2.821) 3.948 2.052 ( 0.078 1.423 -1.830) 2.320 2.203 ( 1.717 -1.231 4.961) 5.392 2.288 ( -1.406 3.479 -1.963) 4.235 2.553 ( -0.405 -1.814 -0.028) 1.859 4.115 ( 3.768 -3.871 -0.895) 5.475 4.367 ( 5.284 -2.518 -8.770) 10.544 4.954 ( -1.359 20.224 5.970) 21.130 8.171 ( -1.939 5.413 4.357) 7.214 8.685 ( -0.281 4.243 -0.020) 4.252 8.773 ( 0.337 -7.535 -0.595) 7.566 8.900 ( 5.693 -9.539 2.728) 11.439 9.209 ( 2.731 -0.548 1.747) 3.288 9.464 ( -3.656 8.656 -5.755) 11.019 ======================= Grid point 212 (96/168) ======================= q-point: (-0.09 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 4.186 -9.150 -2.272) 10.316 0.661 ( 3.334 -9.571 3.085) 10.594 0.788 ( 0.184 1.713 2.206) 2.799 0.904 ( 1.283 -3.784 1.711) 4.347 1.021 ( 5.328 0.037 -3.296) 6.265 1.065 ( -0.290 0.117 0.345) 0.466 1.221 ( 1.765 -1.610 3.145) 3.949 1.323 ( -3.386 -3.682 -0.447) 5.022 1.343 ( 4.472 2.096 -5.050) 7.063 1.403 ( -6.295 -2.201 -2.530) 7.133 1.442 ( -3.860 -9.561 -2.246) 10.552 1.575 ( -4.554 1.549 -1.152) 4.946 1.645 ( 1.217 -0.848 1.082) 1.836 1.736 ( 2.592 -4.114 1.763) 5.172 1.858 ( 0.841 0.035 3.530) 3.629 1.945 ( -0.330 0.314 -1.530) 1.597 2.011 ( -1.266 0.823 -1.734) 2.299 2.072 ( 1.316 -3.574 -0.259) 3.818 2.205 ( -0.466 1.454 0.706) 1.682 2.278 ( -0.658 -2.462 3.614) 4.422 2.608 ( 0.368 -3.895 -1.486) 4.185 3.775 ( -2.376 28.127 -0.225) 28.228 4.576 ( 3.873 -4.217 -5.407) 7.875 4.698 ( 5.368 3.084 1.996) 6.505 8.066 ( -1.289 5.278 2.829) 6.125 8.594 ( -0.719 4.623 0.987) 4.782 8.829 ( -1.094 1.293 1.810) 2.479 9.077 ( 4.778 -4.810 -1.320) 6.907 9.248 ( 2.998 -1.032 5.078) 5.987 9.376 ( -2.538 -2.814 -6.191) 7.259 ======================= Grid point 221 (97/168) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -11.375 -0.000 -4.904) 12.387 0.465 ( -12.708 -0.000 0.794) 12.733 0.687 ( -8.866 -0.000 0.044) 8.866 0.769 ( -8.062 -0.000 2.627) 8.480 0.901 ( -2.256 -0.000 0.251) 2.270 0.982 ( 3.318 0.000 -5.114) 6.096 1.040 ( 4.106 0.000 2.472) 4.793 1.117 ( 1.343 0.000 2.286) 2.651 1.217 ( 1.295 0.000 -4.587) 4.766 1.348 ( 11.425 0.000 4.399) 12.243 1.417 ( 4.731 0.000 0.605) 4.769 1.460 ( -3.312 -0.000 0.505) 3.351 1.567 ( 5.037 0.000 5.282) 7.299 1.628 ( -1.669 -0.000 1.284) 2.106 1.788 ( 1.548 0.000 -0.033) 1.548 1.838 ( -0.947 -0.000 -0.363) 1.014 2.024 ( -3.622 -0.000 -4.531) 5.801 2.110 ( -1.745 -0.000 -2.372) 2.945 2.185 ( 5.321 0.000 3.034) 6.126 2.500 ( 0.246 0.000 -7.585) 7.589 2.543 ( -3.124 -0.000 2.145) 3.790 3.271 ( -0.260 -0.000 -0.193) 0.324 4.494 ( -3.831 -0.000 -6.786) 7.793 5.537 ( 1.662 0.000 14.964) 15.056 8.399 ( 1.619 0.000 11.376) 11.491 8.429 ( 0.002 0.000 -0.226) 0.226 8.516 ( -0.182 -0.000 0.274) 0.329 8.778 ( -0.824 -0.000 -1.060) 1.342 9.219 ( 1.839 0.000 -0.285) 1.861 9.822 ( -1.150 -0.000 -8.292) 8.372 ======================= Grid point 222 (98/168) ======================= q-point: (-0.18 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( -10.765 0.422 1.349) 10.858 0.389 ( -8.557 -4.187 -0.083) 9.527 0.716 ( -1.847 -2.996 -2.169) 4.134 0.816 ( -9.689 -8.675 4.919) 13.904 0.956 ( -1.679 -4.754 -2.969) 5.851 0.985 ( 3.679 0.348 -1.814) 4.117 1.058 ( -0.018 -0.747 2.771) 2.870 1.153 ( 4.240 -1.814 1.824) 4.960 1.262 ( 1.345 -3.700 -2.829) 4.848 1.359 ( 0.745 2.140 1.909) 2.963 1.425 ( 5.852 1.752 -1.445) 6.277 1.462 ( 2.934 -1.435 0.104) 3.268 1.632 ( 1.834 -1.499 3.379) 4.127 1.670 ( -1.368 -3.810 3.173) 5.143 1.753 ( -1.774 1.026 0.171) 2.056 1.904 ( 2.520 -3.786 -0.191) 4.552 1.978 ( -5.140 0.615 -5.060) 7.239 2.078 ( -0.375 1.512 -1.694) 2.301 2.218 ( 3.682 -0.036 2.169) 4.273 2.353 ( -3.866 5.610 -4.161) 7.984 2.536 ( -0.916 -0.044 2.097) 2.289 3.757 ( 14.008 -31.571 -6.894) 35.220 4.414 ( -3.879 4.195 -5.778) 8.126 5.377 ( 0.149 19.317 13.424) 23.524 8.287 ( -1.988 6.721 6.326) 9.441 8.588 ( 1.964 -9.973 -1.541) 10.280 8.729 ( 8.098 -13.419 6.170) 16.844 8.750 ( -0.167 2.310 -0.044) 2.316 9.221 ( 1.951 0.284 -0.847) 2.146 9.639 ( -6.112 11.840 -7.411) 15.247 ======================= Grid point 223 (99/168) ======================= q-point: (-0.09 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 3.010 -11.235 1.212) 11.694 0.495 ( -0.955 -8.924 1.915) 9.177 0.768 ( 0.540 -3.161 -1.712) 3.635 0.902 ( -0.620 0.075 2.410) 2.490 1.008 ( 0.248 -2.199 -1.195) 2.515 1.024 ( -3.436 -5.381 -0.450) 6.400 1.140 ( -1.868 -6.261 1.656) 6.740 1.235 ( 3.151 -4.647 2.694) 6.227 1.307 ( -0.395 0.656 0.844) 1.139 1.337 ( -3.005 -1.978 -3.395) 4.947 1.412 ( 6.928 2.489 -2.905) 7.914 1.544 ( 1.505 -3.445 -0.519) 3.795 1.635 ( -2.366 0.490 0.125) 2.419 1.697 ( -1.486 -1.071 -0.171) 1.840 1.811 ( 0.238 -4.745 4.861) 6.797 1.938 ( -1.971 -0.557 -2.755) 3.433 1.985 ( 0.131 -2.806 -0.776) 2.914 2.048 ( 0.978 0.946 -1.866) 2.310 2.233 ( -0.612 0.974 2.725) 2.957 2.266 ( -0.038 1.023 -1.894) 2.153 2.551 ( -0.167 -1.687 0.491) 1.765 4.145 ( 1.867 8.309 0.312) 8.522 4.381 ( 7.253 -13.006 -12.651) 19.540 4.983 ( -0.515 20.248 8.199) 21.851 8.170 ( -2.528 5.553 4.740) 7.726 8.680 ( -0.345 4.121 -0.504) 4.166 8.774 ( 0.216 -7.170 0.127) 7.174 9.001 ( 9.453 -6.592 2.251) 11.742 9.243 ( 2.178 -1.698 -0.795) 2.874 9.388 ( -5.478 7.054 -2.192) 9.197 ======================= Grid point 233 (100/168) ======================= q-point: (-0.18 -0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( -10.759 -0.000 -0.455) 10.769 0.332 ( -12.791 -0.000 3.483) 13.257 0.529 ( -18.139 -0.000 7.146) 19.496 0.768 ( 3.286 0.000 -1.424) 3.581 0.873 ( -2.481 -0.000 -1.052) 2.695 0.993 ( 2.266 0.000 -2.068) 3.068 1.085 ( 2.016 0.000 1.254) 2.374 1.145 ( 1.361 0.000 2.075) 2.482 1.221 ( 3.323 0.000 -2.612) 4.227 1.415 ( -1.011 -0.000 1.480) 1.792 1.466 ( 3.081 0.000 0.887) 3.207 1.498 ( 9.496 0.000 -1.202) 9.572 1.615 ( -1.405 -0.000 0.322) 1.441 1.665 ( 4.413 0.000 10.006) 10.936 1.791 ( -0.293 -0.000 -1.354) 1.386 1.826 ( -1.021 -0.000 -0.089) 1.025 1.951 ( -3.824 -0.000 -5.692) 6.857 2.093 ( 0.209 0.000 -1.272) 1.289 2.241 ( 3.358 0.000 -0.381) 3.380 2.413 ( -6.720 -0.000 -10.401) 12.384 2.540 ( -0.918 -0.000 2.865) 3.008 3.268 ( -0.194 -0.000 -0.076) 0.208 4.424 ( -3.928 -0.000 -1.727) 4.291 5.692 ( 10.826 0.000 18.556) 21.484 8.427 ( 0.015 0.000 -0.214) 0.215 8.515 ( -0.176 -0.000 0.280) 0.331 8.530 ( 9.656 0.000 17.655) 20.123 8.773 ( 0.247 0.000 1.330) 1.353 9.228 ( 0.777 0.000 -2.903) 3.005 9.719 ( -8.544 -0.000 -13.755) 16.193 ======================= Grid point 234 (101/168) ======================= q-point: (-0.09 -0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.253 ( -2.582 -6.356 6.491) 9.444 0.319 ( -4.843 -7.680 4.619) 10.187 0.630 ( -11.187 -11.062 2.801) 15.980 0.799 ( 1.451 -3.251 1.620) 3.911 0.915 ( -2.173 -4.189 -4.563) 6.565 0.998 ( 0.840 -0.217 -2.174) 2.340 1.078 ( 0.409 0.897 3.386) 3.527 1.202 ( 2.077 -3.340 0.716) 3.998 1.270 ( 2.974 -2.591 -0.648) 3.997 1.363 ( -0.066 3.592 2.134) 4.178 1.494 ( 7.306 2.166 -1.635) 7.793 1.504 ( 3.462 -1.770 0.244) 3.896 1.627 ( -2.476 -0.254 -0.541) 2.547 1.669 ( -3.739 0.948 2.086) 4.386 1.748 ( -1.771 -2.185 3.793) 4.723 1.891 ( -3.552 -1.492 -4.276) 5.755 1.933 ( 2.033 -2.472 -0.813) 3.303 2.072 ( 0.606 1.264 -1.646) 2.162 2.249 ( 0.220 0.324 0.660) 0.767 2.291 ( -2.073 2.484 -4.183) 5.288 2.539 ( -0.797 0.044 2.477) 2.603 3.873 ( 16.443 -34.540 -17.886) 42.229 4.354 ( -2.715 5.336 0.255) 5.993 5.461 ( 0.559 25.427 14.792) 29.422 8.294 ( -3.006 7.808 6.535) 10.617 8.596 ( 1.048 -9.310 -1.539) 9.494 8.740 ( 0.575 1.479 -1.218) 2.001 8.924 ( 18.042 -10.904 7.669) 22.433 9.218 ( -0.804 -0.486 -6.528) 6.595 9.503 ( -11.688 8.518 -3.064) 14.784 ======================= Grid point 245 (102/168) ======================= q-point: (-0.09 -0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.200 ( -2.035 -0.000 11.364) 11.544 0.237 ( -8.975 -0.000 8.463) 12.336 0.397 ( -14.436 -0.000 13.613) 19.842 0.808 ( 6.280 0.000 -3.810) 7.346 0.837 ( -2.131 -0.000 -2.887) 3.588 1.018 ( 2.469 0.000 1.271) 2.777 1.096 ( 0.107 0.000 -0.670) 0.679 1.159 ( -0.980 -0.000 1.452) 1.752 1.264 ( 4.703 0.000 0.878) 4.784 1.436 ( 5.258 0.000 -0.583) 5.290 1.488 ( -0.038 -0.000 0.787) 0.788 1.573 ( 5.379 0.000 -2.228) 5.822 1.603 ( -0.526 -0.000 -0.819) 0.974 1.705 ( -5.535 -0.000 3.212) 6.399 1.747 ( -6.694 -0.000 -6.816) 9.553 1.817 ( -0.578 -0.000 0.241) 0.627 1.910 ( 0.463 0.000 -2.079) 2.129 2.099 ( 1.304 0.000 -0.035) 1.304 2.250 ( -0.961 -0.000 0.822) 1.264 2.305 ( -1.226 -0.000 -4.739) 4.895 2.544 ( -1.074 -0.000 3.278) 3.450 3.266 ( -0.051 -0.000 0.035) 0.062 4.421 ( 3.282 0.000 4.677) 5.714 5.915 ( 12.150 0.000 4.870) 13.089 8.427 ( 0.055 0.000 -0.203) 0.211 8.515 ( -0.156 -0.000 0.285) 0.325 8.716 ( 6.114 0.000 -1.593) 6.318 8.874 ( 12.831 0.000 11.806) 17.436 9.167 ( -6.646 -0.000 -11.133) 12.966 9.511 ( -13.809 -0.000 0.797) 13.832 ======================= Grid point 246 (103/168) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -3.795 -0.000 9.015) 9.782 0.463 ( 0.955 0.000 9.260) 9.310 0.673 ( -1.352 -0.000 -7.024) 7.153 0.711 ( 4.849 0.000 -7.322) 8.782 0.737 ( 1.714 0.000 10.458) 10.598 1.040 ( 0.247 0.000 -0.537) 0.591 1.071 ( -0.117 -0.000 -0.506) 0.519 1.136 ( -2.077 -0.000 -0.767) 2.214 1.393 ( 4.552 0.000 3.386) 5.674 1.449 ( 3.621 0.000 -1.541) 3.936 1.457 ( -3.849 -0.000 -1.884) 4.285 1.503 ( -4.347 -0.000 -2.800) 5.171 1.558 ( -2.417 -0.000 -0.848) 2.561 1.566 ( -0.261 -0.000 -0.767) 0.810 1.630 ( -1.450 -0.000 0.065) 1.451 1.825 ( 0.188 0.000 0.244) 0.308 1.978 ( 2.347 0.000 -0.381) 2.377 2.143 ( 0.258 0.000 2.787) 2.799 2.196 ( 0.053 0.000 -1.352) 1.353 2.285 ( 0.704 0.000 -2.161) 2.273 2.626 ( 0.594 0.000 1.731) 1.830 3.269 ( 0.076 0.000 0.063) 0.099 4.535 ( 3.305 0.000 0.123) 3.307 5.890 ( -3.751 -0.000 0.122) 3.753 8.423 ( 0.061 0.000 -0.108) 0.124 8.520 ( -0.072 -0.000 0.164) 0.180 8.595 ( -5.284 -0.000 -0.748) 5.337 8.819 ( -1.716 -0.000 0.651) 1.836 9.139 ( 2.260 0.000 -1.582) 2.758 9.707 ( 3.122 0.000 3.073) 4.381 ======================= Grid point 247 (104/168) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 1.590 -2.739 8.098) 8.696 0.536 ( -1.620 -5.041 6.740) 8.572 0.654 ( 0.624 -0.159 -7.780) 7.807 0.759 ( -2.617 -5.798 -5.118) 8.165 0.836 ( 6.357 -4.190 4.957) 9.085 0.984 ( 0.793 2.698 -1.009) 2.988 1.098 ( -0.364 -2.382 0.841) 2.552 1.170 ( -0.772 -3.817 1.031) 4.028 1.408 ( -3.291 0.681 -2.456) 4.162 1.449 ( -3.974 -1.175 -1.381) 4.368 1.472 ( 1.768 -1.853 2.859) 3.839 1.501 ( 1.539 0.387 1.467) 2.162 1.550 ( -2.705 -1.860 -2.202) 3.952 1.583 ( -0.041 -1.467 -0.613) 1.591 1.673 ( 1.633 -4.552 0.900) 4.920 1.818 ( 1.472 1.567 -0.980) 2.363 1.991 ( -0.171 -1.186 -1.014) 1.570 2.126 ( -0.277 3.055 2.777) 4.137 2.196 ( 2.150 -0.635 -1.024) 2.464 2.240 ( -0.573 1.627 -2.195) 2.792 2.599 ( 0.172 1.852 1.090) 2.155 3.625 ( -0.700 -28.505 -2.653) 28.636 4.458 ( 3.919 9.344 -1.438) 10.234 5.602 ( -4.457 22.778 3.178) 23.426 8.357 ( -2.004 7.820 2.384) 8.418 8.560 ( -0.030 -10.128 -0.899) 10.168 8.754 ( -6.795 -9.710 -0.961) 11.890 8.811 ( 4.040 -0.080 2.110) 4.558 9.136 ( 0.070 0.227 -2.005) 2.019 9.685 ( 2.823 4.257 0.829) 5.174 ======================= Grid point 248 (105/168) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 3.279 -3.027 0.855) 4.543 0.637 ( -0.403 -2.199 1.251) 2.562 0.682 ( -0.298 -7.019 0.714) 7.062 0.861 ( -4.699 -7.685 -4.631) 10.128 0.920 ( -0.873 -1.438 4.094) 4.426 1.036 ( 6.367 -5.205 -1.638) 8.385 1.127 ( -1.596 -1.230 0.672) 2.124 1.259 ( 0.770 -3.313 1.930) 3.911 1.367 ( -5.598 0.486 -1.475) 5.810 1.457 ( -1.772 -3.162 -1.765) 4.032 1.495 ( 3.963 1.599 2.053) 4.741 1.538 ( -2.190 -3.038 -0.619) 3.796 1.558 ( -1.294 -0.204 -2.022) 2.409 1.621 ( 1.422 -2.415 0.130) 2.805 1.746 ( 1.664 1.346 0.861) 2.307 1.831 ( 3.254 -4.722 0.440) 5.751 2.023 ( -1.793 -1.744 1.205) 2.777 2.066 ( 0.135 1.985 -0.886) 2.178 2.223 ( -1.169 -0.500 -1.599) 2.042 2.247 ( 1.537 -3.296 0.728) 3.708 2.578 ( 0.170 0.530 0.272) 0.620 4.120 ( -3.846 -12.963 0.122) 13.522 4.247 ( 4.716 5.567 -3.981) 8.312 5.128 ( -2.214 22.202 2.031) 22.405 8.218 ( -1.327 6.376 2.245) 6.889 8.675 ( 0.328 0.196 0.357) 0.523 8.804 ( -2.618 -3.969 -0.167) 4.758 8.964 ( 1.029 -7.985 1.789) 8.247 9.132 ( -1.655 -1.058 -1.828) 2.683 9.603 ( 0.854 4.265 -0.482) 4.376 ======================= Grid point 249 (106/168) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -1.026 -1.459 -0.893) 1.994 0.721 ( 3.628 -3.555 1.524) 5.303 0.831 ( -1.834 -6.876 0.941) 7.178 0.954 ( -2.485 -1.811 5.357) 6.177 0.972 ( -5.011 -7.333 -3.596) 9.581 1.109 ( -0.189 -2.283 -1.430) 2.700 1.172 ( 0.050 -1.216 -0.009) 1.217 1.301 ( 1.261 -0.578 -0.492) 1.471 1.332 ( -2.045 -0.448 -1.170) 2.398 1.435 ( -2.510 4.307 -3.816) 6.278 1.492 ( 2.120 1.187 -0.775) 2.550 1.564 ( -1.022 -7.182 -3.422) 8.021 1.647 ( 2.711 -3.265 3.551) 5.534 1.685 ( 1.153 -3.078 -0.241) 3.296 1.729 ( 6.215 2.051 3.741) 7.538 1.933 ( 0.185 -2.781 -1.117) 3.002 2.010 ( 0.716 0.840 1.435) 1.810 2.081 ( -1.805 -2.162 -0.705) 2.903 2.227 ( -2.228 -1.133 -0.474) 2.544 2.337 ( -0.295 -4.958 2.288) 5.468 2.589 ( 0.723 -1.644 -1.189) 2.154 3.766 ( 1.628 28.446 -0.185) 28.493 4.536 ( -3.088 -15.316 -1.497) 15.696 4.784 ( -1.282 11.734 -0.501) 11.815 8.095 ( -0.863 6.248 1.435) 6.469 8.629 ( -0.305 3.402 1.230) 3.630 8.837 ( -0.376 0.552 1.359) 1.515 9.077 ( 0.084 -2.728 -1.393) 3.064 9.175 ( -2.548 -5.163 0.914) 5.829 9.554 ( -0.173 0.453 -1.955) 2.015 ======================= Grid point 250 (107/168) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -2.274 -2.220 2.425) 3.997 0.796 ( 3.564 -1.702 -1.501) 4.225 0.873 ( -6.436 -0.239 2.210) 6.809 1.025 ( -1.709 -4.272 2.412) 5.195 1.059 ( -4.599 -4.378 -2.572) 6.851 1.122 ( -2.517 -0.246 -2.200) 3.352 1.172 ( -0.004 0.378 -1.872) 1.910 1.285 ( 0.027 0.779 -0.502) 0.927 1.303 ( 3.617 1.326 -2.072) 4.374 1.436 ( 0.788 -2.377 -0.385) 2.533 1.489 ( 1.293 -0.646 -1.628) 2.177 1.653 ( 5.792 2.709 1.456) 6.558 1.678 ( -1.371 -1.341 -0.463) 1.973 1.717 ( 2.690 -2.802 1.783) 4.274 1.827 ( 1.963 -5.344 3.082) 6.474 1.936 ( 0.259 0.173 -1.582) 1.612 1.995 ( -1.525 1.955 -2.537) 3.547 2.102 ( -0.704 -0.455 1.353) 1.592 2.244 ( -2.012 -1.755 0.482) 2.713 2.439 ( -1.547 -4.806 3.812) 6.326 2.637 ( 1.248 -2.816 -2.540) 3.993 3.171 ( 0.309 30.126 -0.010) 30.128 4.623 ( -1.085 4.761 -0.306) 4.893 4.739 ( -3.015 -7.689 -1.867) 8.468 7.979 ( -0.588 5.122 0.583) 5.189 8.564 ( -0.685 3.160 1.858) 3.729 8.808 ( -0.138 2.004 2.094) 2.902 9.098 ( -0.539 -0.772 -2.548) 2.717 9.275 ( -2.468 -5.184 3.143) 6.545 9.554 ( 0.744 -0.385 -3.943) 4.031 ======================= Grid point 252 (108/168) ======================= q-point: ( 0.45 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -2.784 -2.595 3.505) 5.174 0.810 ( 1.984 1.077 -4.097) 4.678 0.835 ( -3.757 0.381 -0.044) 3.777 1.036 ( -2.831 -0.052 0.622) 2.899 1.103 ( 0.732 -1.549 -0.204) 1.726 1.127 ( 0.674 0.919 -2.536) 2.780 1.153 ( -0.651 -0.342 -1.730) 1.880 1.262 ( 0.365 0.491 -0.055) 0.614 1.363 ( 2.400 -3.243 0.550) 4.072 1.431 ( 1.717 2.369 0.075) 2.927 1.546 ( -1.023 -3.061 -1.880) 3.735 1.576 ( 2.845 4.235 1.211) 5.244 1.726 ( 1.727 -1.967 3.380) 4.275 1.784 ( -0.680 -2.661 -0.671) 2.827 1.882 ( 0.634 1.218 -0.572) 1.487 1.909 ( -3.511 3.045 -1.279) 4.820 1.987 ( 1.742 -3.687 -0.841) 4.163 2.092 ( 0.208 1.253 0.875) 1.542 2.265 ( -1.056 -0.822 0.669) 1.496 2.510 ( -2.035 -2.002 4.470) 5.304 2.681 ( 1.449 -1.345 -3.139) 3.710 2.722 ( -0.173 13.036 -0.052) 13.037 4.555 ( -0.631 1.896 -0.201) 2.009 4.816 ( -0.899 -2.156 -1.273) 2.661 7.906 ( -0.190 1.960 0.055) 1.970 8.519 ( -0.849 1.220 2.004) 2.495 8.784 ( -0.749 0.684 2.401) 2.606 9.098 ( 0.403 -0.118 -2.579) 2.613 9.353 ( -2.604 -3.125 4.752) 6.255 9.540 ( 1.954 1.560 -5.103) 5.683 ======================= Grid point 253 (109/168) ======================= q-point: (-0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -3.055 -2.570 2.848) 4.904 0.770 ( 3.154 2.823 -3.924) 5.772 0.854 ( 3.428 -2.442 -1.886) 4.612 1.025 ( 0.024 1.282 2.527) 2.834 1.092 ( 0.779 1.684 -0.391) 1.896 1.121 ( 4.037 1.231 -0.967) 4.330 1.146 ( -0.981 0.229 -1.651) 1.934 1.271 ( -1.260 -1.379 -0.610) 1.965 1.376 ( -0.220 3.102 -0.469) 3.145 1.432 ( -0.886 -2.410 -0.074) 2.569 1.476 ( 2.971 4.769 2.830) 6.291 1.641 ( -3.663 -5.236 -3.175) 7.136 1.770 ( -2.231 5.090 -1.000) 5.646 1.780 ( -0.893 -1.378 1.179) 2.021 1.830 ( -0.342 -2.355 1.060) 2.605 1.905 ( 1.019 -0.720 1.123) 1.679 1.991 ( 0.519 3.504 -1.420) 3.816 2.105 ( 1.182 -1.815 -0.298) 2.186 2.263 ( 0.035 0.921 0.813) 1.229 2.509 ( -2.361 1.960 4.490) 5.438 2.682 ( 1.448 1.370 -3.085) 3.673 2.722 ( 0.246 -13.106 -0.142) 13.109 4.538 ( 0.166 -0.255 1.092) 1.133 4.817 ( 2.349 1.966 -1.313) 3.333 7.908 ( 0.207 -2.173 -0.105) 2.186 8.521 ( -1.023 -1.351 1.882) 2.533 8.786 ( -1.343 -0.893 2.235) 2.756 9.095 ( 1.936 0.430 -2.321) 3.053 9.389 ( -2.390 -0.468 4.357) 4.991 9.488 ( 2.772 3.586 -3.401) 5.666 ======================= Grid point 254 (110/168) ======================= q-point: (-0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 3.704 4.830 -2.692) 6.655 0.767 ( -3.938 -1.169 1.026) 4.234 0.922 ( 6.430 0.125 -2.679) 6.966 0.994 ( 3.962 4.380 4.441) 7.389 1.062 ( -0.045 2.354 1.059) 2.582 1.102 ( 4.548 0.717 1.328) 4.792 1.144 ( 1.384 -0.841 -3.872) 4.196 1.284 ( -2.515 -0.866 -1.620) 3.115 1.315 ( 0.004 1.563 -0.881) 1.794 1.410 ( -1.398 2.836 1.568) 3.529 1.467 ( -2.218 -1.451 0.370) 2.676 1.632 ( -2.467 6.798 1.276) 7.344 1.689 ( 0.076 -0.258 -0.021) 0.269 1.781 ( -6.861 -1.965 -3.914) 8.140 1.879 ( 0.324 4.568 -0.541) 4.612 1.901 ( 1.116 -2.766 2.371) 3.811 1.956 ( 1.741 -0.804 -0.710) 2.045 2.129 ( 0.895 0.276 -0.784) 1.221 2.238 ( 1.253 2.019 0.969) 2.566 2.440 ( -2.248 4.601 3.759) 6.352 2.635 ( 1.126 3.039 -2.344) 4.000 3.171 ( -0.346 -29.947 0.023) 29.949 4.575 ( 0.769 -2.545 2.882) 3.921 4.757 ( 5.022 5.742 -2.545) 8.042 7.985 ( 0.143 -5.382 0.091) 5.384 8.564 ( -1.121 -2.914 1.862) 3.635 8.816 ( -1.620 -2.391 1.464) 3.238 9.090 ( 3.114 0.976 -1.948) 3.800 9.337 ( -1.275 4.958 -2.224) 5.582 9.452 ( 2.832 1.549 4.646) 5.657 ======================= Grid point 255 (111/168) ======================= q-point: (-0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 1.980 6.332 0.314) 6.641 0.747 ( -3.644 0.951 -0.740) 3.838 0.847 ( 0.293 7.937 0.987) 8.003 0.916 ( 8.156 6.681 0.280) 10.547 1.015 ( -1.662 2.002 -0.076) 2.603 1.146 ( 0.225 0.731 2.627) 2.736 1.162 ( 2.936 0.077 -6.150) 6.815 1.287 ( -1.026 -1.069 0.999) 1.787 1.320 ( 1.272 -0.522 -1.244) 1.854 1.369 ( 3.376 -0.259 2.238) 4.058 1.454 ( 1.048 5.714 3.906) 7.000 1.510 ( -5.341 0.005 0.533) 5.367 1.670 ( 0.392 2.295 0.573) 2.398 1.726 ( -3.340 4.066 -2.897) 6.006 1.823 ( -3.490 -0.838 -4.574) 5.814 1.945 ( -0.136 1.253 -2.061) 2.416 1.970 ( 0.000 -1.706 3.215) 3.640 2.097 ( 1.362 3.238 -0.223) 3.520 2.213 ( 1.521 1.481 0.516) 2.184 2.343 ( -1.475 4.525 1.737) 5.066 2.583 ( 0.521 1.806 -0.727) 2.015 3.759 ( -1.393 -27.857 0.425) 27.895 4.533 ( 3.882 12.565 -1.275) 13.213 4.772 ( 2.655 -10.083 0.490) 10.438 8.105 ( -0.531 -6.562 0.621) 6.613 8.624 ( -0.913 -3.178 1.637) 3.690 8.850 ( -0.967 -0.585 0.390) 1.196 9.078 ( 3.081 1.602 -1.687) 3.860 9.212 ( -0.591 5.962 -2.739) 6.587 9.468 ( 2.867 -0.241 6.004) 6.658 ======================= Grid point 256 (112/168) ======================= q-point: (-0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -0.046 5.408 5.178) 7.488 0.672 ( 0.695 8.501 4.513) 9.650 0.707 ( -1.910 2.480 -2.390) 3.938 0.832 ( 5.450 5.403 -3.332) 8.367 0.966 ( -2.486 1.303 -0.946) 2.962 1.030 ( -5.230 8.350 0.842) 9.889 1.141 ( 0.454 1.692 -1.273) 2.166 1.272 ( -2.359 3.722 1.109) 4.543 1.328 ( 4.713 -0.841 0.944) 4.879 1.400 ( 4.849 0.927 3.244) 5.907 1.467 ( 7.469 -2.581 2.072) 8.170 1.520 ( -4.198 -2.158 -0.256) 4.727 1.616 ( -2.990 3.853 -3.547) 6.031 1.622 ( -0.367 2.210 -0.052) 2.241 1.810 ( -2.007 -0.093 -4.514) 4.941 1.854 ( -4.777 4.781 -0.985) 6.830 2.023 ( 0.499 -0.309 0.655) 0.879 2.040 ( 2.304 1.269 2.144) 3.393 2.196 ( 0.842 0.951 -0.677) 1.440 2.271 ( -0.865 2.090 -0.500) 2.316 2.572 ( -0.119 -0.380 0.747) 0.846 4.168 ( 5.834 3.778 -3.555) 7.807 4.197 ( -2.875 4.134 -0.487) 5.059 5.123 ( 0.772 -23.242 2.366) 23.375 8.231 ( -1.286 -6.692 1.226) 6.924 8.674 ( -0.603 -0.975 0.428) 1.224 8.795 ( 1.897 5.876 0.580) 6.202 9.037 ( -3.674 3.571 -5.024) 7.176 9.114 ( 3.907 2.987 -0.464) 4.940 9.535 ( 1.962 -3.657 5.946) 7.251 ======================= Grid point 257 (113/168) ======================= q-point: (-0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -0.832 1.838 9.578) 9.788 0.528 ( -2.116 6.338 7.022) 9.693 0.676 ( 4.095 0.777 -3.417) 5.389 0.744 ( 2.505 4.447 -4.023) 6.499 0.826 ( -6.024 7.452 3.540) 10.215 0.982 ( 0.536 -2.848 -0.631) 2.966 1.097 ( -0.130 2.196 0.172) 2.207 1.188 ( -2.220 3.193 -0.302) 3.901 1.381 ( 4.718 -0.495 1.049) 4.859 1.414 ( 5.510 1.181 1.711) 5.889 1.503 ( -1.662 1.550 -0.598) 2.350 1.535 ( 3.514 -0.090 -1.396) 3.783 1.550 ( -5.933 -1.282 -2.530) 6.576 1.592 ( 0.062 1.269 -0.992) 1.612 1.700 ( -5.651 5.055 -1.680) 7.766 1.821 ( -0.764 -0.818 -1.141) 1.599 1.981 ( 2.292 2.115 0.251) 3.129 2.106 ( 0.725 -2.934 4.250) 5.215 2.189 ( 0.546 -0.487 -2.373) 2.483 2.253 ( -0.112 -0.932 -1.400) 1.686 2.593 ( -0.289 -1.456 1.635) 2.209 3.639 ( 1.532 29.368 -4.384) 29.733 4.427 ( 1.400 -8.843 1.604) 9.096 5.620 ( -0.620 -24.201 1.365) 24.247 8.367 ( -1.562 -7.855 1.529) 8.154 8.563 ( 0.400 9.928 -1.201) 10.008 8.747 ( 4.099 3.753 -0.020) 5.558 8.872 ( -9.255 5.272 -4.500) 11.562 9.120 ( 4.185 -0.083 -0.441) 4.209 9.641 ( 1.819 -3.839 5.245) 6.750 ======================= Grid point 259 (114/168) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -2.447 -0.000 8.658) 8.997 0.535 ( 4.224 0.000 5.854) 7.219 0.639 ( 1.217 0.000 -4.480) 4.643 0.663 ( -2.647 -0.000 -7.166) 7.639 0.862 ( 10.454 0.000 1.747) 10.599 1.026 ( -1.842 -0.000 -0.613) 1.942 1.066 ( -0.544 -0.000 -0.103) 0.554 1.129 ( 0.389 0.000 1.582) 1.629 1.382 ( -8.521 -0.000 -1.750) 8.699 1.386 ( -5.077 -0.000 -2.579) 5.695 1.462 ( 3.092 0.000 2.562) 4.015 1.481 ( -3.897 -0.000 -0.003) 3.897 1.553 ( 2.738 0.000 2.544) 3.738 1.555 ( -0.989 -0.000 -0.108) 0.995 1.669 ( 5.864 0.000 1.157) 5.977 1.831 ( 0.805 0.000 -0.065) 0.808 1.975 ( -1.658 -0.000 -2.720) 3.185 2.154 ( -0.266 -0.000 1.578) 1.601 2.211 ( 3.355 0.000 -0.697) 3.427 2.265 ( -1.748 -0.000 -2.166) 2.784 2.639 ( 0.738 0.000 0.185) 0.760 3.271 ( 0.182 0.000 -0.050) 0.189 4.572 ( 4.790 0.000 -3.323) 5.830 5.830 ( -8.666 -0.000 4.394) 9.716 8.423 ( 0.110 0.000 -0.119) 0.162 8.520 ( -0.048 -0.000 0.159) 0.166 8.532 ( -7.071 -0.000 4.568) 8.419 8.844 ( 3.593 0.000 1.979) 4.102 9.130 ( -1.253 -0.000 -2.819) 3.085 9.749 ( 3.627 0.000 -1.634) 3.978 ======================= Grid point 260 (115/168) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -1.193 -4.773 6.281) 7.979 0.588 ( 4.358 -1.851 1.979) 5.131 0.636 ( 1.993 -0.809 -4.779) 5.241 0.697 ( -1.849 -4.869 -4.614) 6.958 0.918 ( 3.295 -0.068 3.087) 4.516 0.999 ( 4.198 -0.775 -2.803) 5.107 1.092 ( -1.400 -1.822 0.626) 2.381 1.185 ( 0.857 -4.457 2.471) 5.168 1.329 ( -6.004 -0.343 -1.660) 6.239 1.386 ( -5.470 -1.064 -1.629) 5.806 1.478 ( -5.229 -3.076 -2.338) 6.502 1.505 ( -0.487 -2.152 1.893) 2.908 1.560 ( 3.869 1.367 2.941) 5.048 1.578 ( 0.408 -1.898 0.567) 2.023 1.725 ( 5.033 -1.867 2.547) 5.941 1.839 ( 2.555 0.051 -0.389) 2.585 1.964 ( -3.441 -1.599 -1.675) 4.148 2.135 ( -0.432 3.363 2.267) 4.079 2.194 ( 0.198 0.507 -6.395) 6.418 2.243 ( 2.164 0.285 1.968) 2.939 2.606 ( 0.326 2.085 0.375) 2.143 3.600 ( -1.902 -26.842 -1.214) 26.937 4.493 ( 4.698 9.326 -3.951) 11.165 5.561 ( -6.215 20.651 4.494) 22.030 8.349 ( -2.061 7.410 3.137) 8.307 8.553 ( -0.508 -10.456 -0.488) 10.479 8.690 ( -4.490 -6.965 0.918) 8.337 8.877 ( 3.933 -1.920 4.089) 5.989 9.109 ( -2.124 0.287 -3.121) 3.786 9.708 ( 2.346 5.038 -2.711) 6.183 ======================= Grid point 261 (116/168) ======================= q-point: ( 0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.925 -0.978 -3.103) 3.383 0.672 ( 1.074 -4.485 4.085) 6.161 0.701 ( 2.872 -5.396 0.340) 6.122 0.789 ( -2.307 -6.701 -4.716) 8.512 0.935 ( -1.068 -0.814 5.044) 5.219 1.066 ( -0.886 -1.493 -0.557) 1.823 1.125 ( 1.363 -3.504 0.070) 3.761 1.280 ( 0.426 -1.758 1.451) 2.319 1.302 ( -4.059 -1.725 -1.352) 4.613 1.413 ( -2.336 -4.917 -4.194) 6.871 1.455 ( -4.432 1.280 -4.047) 6.136 1.550 ( 1.954 0.465 0.447) 2.058 1.581 ( 1.048 -3.433 3.247) 4.841 1.633 ( 2.186 -2.579 0.375) 3.402 1.785 ( 2.928 -1.096 2.425) 3.957 1.882 ( 4.511 -2.337 1.589) 5.323 1.999 ( -3.343 -3.692 0.578) 5.014 2.062 ( 0.166 3.106 -0.884) 3.234 2.192 ( -1.755 -0.996 -2.782) 3.437 2.273 ( 1.760 -1.900 1.262) 2.881 2.581 ( 0.185 0.629 -0.043) 0.657 4.078 ( -3.827 -17.694 -0.066) 18.103 4.274 ( 3.741 10.860 -3.645) 12.051 5.108 ( -2.967 21.716 1.427) 21.964 8.217 ( -1.185 6.308 2.578) 6.916 8.682 ( 0.550 0.628 0.317) 0.893 8.770 ( -2.933 -6.837 0.034) 7.439 9.000 ( 1.815 -5.908 4.657) 7.738 9.090 ( -3.309 -1.155 -3.083) 4.667 9.596 ( -0.129 5.072 -3.293) 6.049 ======================= Grid point 263 (117/168) ======================= q-point: ( 0.36 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -0.280 -1.261 -0.846) 1.544 0.763 ( 0.335 -3.225 2.849) 4.316 0.824 ( 1.031 -3.988 -0.747) 4.186 0.900 ( -3.820 -7.335 -3.792) 9.098 0.954 ( -3.049 -1.694 6.545) 7.417 1.083 ( -3.259 -1.818 -1.970) 4.220 1.152 ( -3.446 -0.112 -0.961) 3.579 1.295 ( -1.309 0.345 -0.749) 1.547 1.325 ( 2.423 -1.460 -1.334) 3.128 1.409 ( 2.182 -0.067 -2.444) 3.277 1.500 ( -0.774 -2.468 -2.903) 3.889 1.567 ( 3.717 -2.688 -0.211) 4.592 1.664 ( -0.424 -2.470 1.125) 2.747 1.713 ( 1.784 -5.257 1.776) 5.829 1.815 ( 5.414 1.179 2.948) 6.276 1.934 ( 0.702 -0.384 -0.159) 0.816 2.015 ( -0.326 1.663 -2.412) 2.948 2.064 ( -0.954 -3.340 2.168) 4.095 2.196 ( -2.743 -1.467 -0.475) 3.147 2.344 ( -0.574 -4.462 2.181) 4.999 2.590 ( 0.728 -1.634 -1.368) 2.252 3.787 ( 2.388 29.256 -0.438) 29.357 4.484 ( -4.650 -15.580 -1.542) 16.332 4.762 ( -2.003 11.613 -1.085) 11.834 8.093 ( -0.819 6.400 1.579) 6.642 8.632 ( -0.350 3.460 1.190) 3.675 8.843 ( -0.082 -0.354 1.715) 1.753 9.066 ( -0.558 -1.048 -2.481) 2.751 9.154 ( -2.647 -6.294 3.104) 7.500 9.530 ( -1.000 0.095 -4.638) 4.745 ======================= Grid point 264 (118/168) ======================= q-point: ( 0.45 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -1.874 -2.110 1.620) 3.254 0.797 ( -5.824 -1.099 1.003) 6.011 0.842 ( 2.454 1.004 -0.517) 2.701 0.994 ( -3.261 -3.007 -0.889) 4.524 1.022 ( -3.006 -5.195 1.360) 6.154 1.082 ( -2.592 -2.298 -1.264) 3.687 1.143 ( -1.865 -0.793 -3.229) 3.812 1.313 ( 4.115 1.225 0.698) 4.349 1.330 ( 2.716 -1.391 -2.300) 3.821 1.446 ( 1.572 -1.427 -0.691) 2.233 1.493 ( 0.899 1.430 -0.674) 1.819 1.668 ( 0.879 -4.394 -0.202) 4.485 1.680 ( -0.484 0.088 0.418) 0.646 1.801 ( 7.353 2.253 3.516) 8.457 1.858 ( 0.747 -4.895 2.401) 5.503 1.927 ( -0.181 -0.349 -1.888) 1.929 1.951 ( -3.359 3.212 -3.488) 5.811 2.105 ( -0.172 -0.406 1.253) 1.328 2.224 ( -1.979 -2.496 0.488) 3.223 2.441 ( -1.614 -4.770 3.933) 6.389 2.638 ( 1.280 -2.770 -2.588) 4.001 3.176 ( 0.536 30.910 -0.004) 30.915 4.603 ( -1.408 4.246 -1.737) 4.798 4.693 ( -3.596 -8.804 -1.162) 9.581 7.976 ( -0.568 5.158 0.634) 5.228 8.566 ( -0.728 3.171 1.939) 3.787 8.819 ( -0.045 2.289 2.387) 3.308 9.076 ( -0.714 -1.182 -3.000) 3.302 9.267 ( -2.523 -5.383 4.442) 7.421 9.534 ( 0.442 -1.255 -5.963) 6.110 ======================= Grid point 265 (119/168) ======================= q-point: ( 0.55 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -2.502 -2.557 2.929) 4.623 0.794 ( -1.176 -1.487 -0.314) 1.922 0.831 ( 2.329 0.735 -1.982) 3.146 1.011 ( -2.550 -1.484 0.655) 3.022 1.095 ( -0.908 -2.416 -0.534) 2.635 1.118 ( -0.863 -1.868 -2.697) 3.393 1.143 ( 0.116 -0.320 -0.691) 0.770 1.282 ( 3.061 2.482 0.480) 3.970 1.389 ( 1.597 -1.627 -1.042) 2.507 1.445 ( 0.992 3.009 -0.158) 3.172 1.489 ( -3.402 -4.060 -3.723) 6.474 1.629 ( 2.281 5.238 3.084) 6.492 1.762 ( 1.063 -3.915 1.873) 4.468 1.797 ( 2.776 1.808 1.486) 3.631 1.849 ( -2.766 3.941 -2.006) 5.216 1.900 ( 0.640 -0.293 0.697) 0.991 1.991 ( -0.058 -3.917 -1.588) 4.227 2.093 ( -0.520 0.906 -0.064) 1.046 2.259 ( -0.801 -1.385 0.838) 1.807 2.511 ( -2.000 -1.841 4.583) 5.329 2.681 ( 1.488 -1.236 -3.105) 3.658 2.720 ( -0.017 12.897 -0.065) 12.897 4.546 ( -0.694 1.061 -0.407) 1.331 4.799 ( -0.879 -3.917 -1.308) 4.222 7.904 ( -0.171 1.806 0.061) 1.815 8.520 ( -0.881 1.331 2.057) 2.604 8.788 ( -0.820 1.071 2.460) 2.806 9.090 ( 0.523 -1.000 -2.713) 2.938 9.351 ( -2.525 -3.258 5.409) 6.800 9.532 ( 1.847 0.695 -5.928) 6.248 ======================= Grid point 266 (120/168) ======================= q-point: (-0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -3.114 -1.782 3.095) 4.739 0.790 ( 3.708 2.361 -3.533) 5.640 0.895 ( 4.991 -5.031 -0.408) 7.098 1.025 ( -1.970 -0.771 1.608) 2.657 1.101 ( 1.172 0.699 -0.020) 1.364 1.131 ( 0.735 -0.175 -2.164) 2.292 1.155 ( 1.739 0.020 -0.141) 1.745 1.262 ( 0.466 0.649 -0.659) 1.036 1.366 ( -0.321 4.280 -1.252) 4.471 1.414 ( -2.049 -1.509 -0.426) 2.580 1.534 ( 3.268 6.476 4.031) 8.299 1.566 ( -5.463 -6.523 -4.912) 9.824 1.737 ( -2.386 3.528 -0.768) 4.327 1.775 ( 0.127 2.780 0.945) 2.939 1.856 ( 1.600 -2.940 2.887) 4.420 1.927 ( 1.680 -1.450 1.271) 2.558 1.976 ( -1.295 3.488 -2.430) 4.444 2.109 ( 0.222 -2.076 -1.140) 2.379 2.269 ( 0.159 0.338 1.004) 1.071 2.507 ( -2.233 2.141 4.556) 5.507 2.682 ( 1.491 1.400 -3.077) 3.695 2.725 ( 0.271 -13.163 -0.103) 13.166 4.547 ( 0.172 -1.138 1.326) 1.756 4.834 ( 1.867 0.374 -1.506) 2.428 7.909 ( 0.125 -2.299 -0.107) 2.305 8.519 ( -1.024 -1.235 1.877) 2.469 8.783 ( -1.291 -0.536 2.096) 2.519 9.104 ( 1.796 -0.431 -2.257) 2.917 9.382 ( -2.430 0.482 3.445) 4.243 9.505 ( 2.804 1.624 -2.319) 3.985 ======================= Grid point 267 (121/168) ======================= q-point: (-0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -2.601 1.647 0.917) 3.212 0.738 ( 1.885 2.869 -2.955) 4.530 0.967 ( 3.861 2.690 -1.475) 4.931 1.031 ( -3.381 0.254 2.863) 4.438 1.078 ( 4.772 4.075 -0.037) 6.275 1.147 ( 1.257 -1.376 2.063) 2.781 1.160 ( 4.323 -0.317 -2.928) 5.231 1.258 ( -1.423 -0.896 -0.114) 1.685 1.309 ( 1.108 0.022 -2.164) 2.431 1.416 ( 0.465 1.793 1.967) 2.702 1.456 ( -0.843 1.838 1.308) 2.409 1.613 ( -3.657 1.316 -0.122) 3.889 1.664 ( -2.725 -0.003 -1.411) 3.069 1.720 ( -1.047 2.315 -0.205) 2.549 1.858 ( -1.858 5.178 -3.383) 6.458 1.919 ( 0.700 -2.282 1.253) 2.696 1.977 ( 1.499 -0.581 1.296) 2.065 2.130 ( 0.390 0.051 -1.313) 1.371 2.256 ( 0.887 1.407 1.034) 1.959 2.435 ( -2.112 4.798 3.892) 6.529 2.635 ( 1.177 3.002 -2.360) 3.995 3.169 ( -0.125 -29.433 0.049) 29.433 4.599 ( 0.619 -3.281 3.245) 4.656 4.788 ( 3.195 5.230 -3.050) 6.846 7.986 ( -0.090 -5.290 0.151) 5.293 8.562 ( -1.008 -2.948 1.843) 3.620 8.806 ( -1.345 -2.114 1.312) 2.829 9.110 ( 2.304 0.499 -2.080) 3.143 9.315 ( -1.404 5.007 -0.557) 5.230 9.503 ( 2.611 0.566 3.123) 4.109 ======================= Grid point 268 (122/168) ======================= q-point: (-0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 1.993 5.887 0.344) 6.225 0.701 ( -2.938 0.800 -1.837) 3.556 0.853 ( 0.017 8.432 0.453) 8.444 0.982 ( -3.388 2.648 1.463) 4.542 1.005 ( 6.225 6.159 -0.242) 8.760 1.137 ( -2.583 4.644 -0.841) 5.380 1.154 ( 0.718 0.244 -2.458) 2.572 1.286 ( -0.189 -0.273 0.534) 0.628 1.351 ( 4.219 -1.474 1.208) 4.629 1.420 ( -1.351 -2.828 -0.111) 3.136 1.474 ( 4.635 -2.694 2.456) 5.897 1.510 ( 2.554 6.814 5.334) 9.022 1.653 ( -6.042 0.392 -4.141) 7.335 1.675 ( -0.123 2.983 0.287) 2.999 1.753 ( -3.786 0.960 -5.990) 7.151 1.938 ( 0.361 3.504 -1.236) 3.733 1.984 ( -0.240 -1.889 2.760) 3.353 2.105 ( 0.666 2.351 -1.031) 2.653 2.234 ( 1.207 1.694 1.143) 2.373 2.334 ( -1.521 4.785 1.688) 5.297 2.585 ( 0.573 1.740 -0.883) 2.034 3.751 ( -0.386 -27.699 0.310) 27.704 4.560 ( 1.924 13.285 -0.769) 13.446 4.793 ( 1.116 -10.509 -0.244) 10.571 8.101 ( -0.774 -6.334 0.836) 6.436 8.624 ( -0.621 -3.211 1.576) 3.631 8.842 ( -0.855 -1.110 0.511) 1.491 9.090 ( 1.124 2.603 -2.547) 3.812 9.200 ( -0.244 5.274 -0.476) 5.301 9.522 ( 2.163 -0.474 3.830) 4.424 ======================= Grid point 269 (123/168) ======================= q-point: (-0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 2.419 4.973 4.985) 7.445 0.665 ( -2.608 2.251 -2.291) 4.137 0.685 ( -0.433 6.558 0.545) 6.595 0.890 ( 3.717 6.803 0.324) 7.759 0.933 ( -3.352 3.302 -0.188) 4.709 0.990 ( 0.516 6.100 -1.454) 6.292 1.138 ( -0.540 1.273 0.005) 1.383 1.254 ( -1.423 3.535 1.289) 4.023 1.393 ( 4.320 0.191 1.268) 4.506 1.456 ( -4.722 -2.935 0.857) 5.626 1.464 ( 3.785 0.179 2.140) 4.352 1.551 ( -3.377 4.991 -3.308) 6.874 1.568 ( 6.419 -0.180 1.854) 6.684 1.616 ( -2.083 1.419 -1.430) 2.898 1.760 ( -2.510 -3.490 -3.536) 5.567 1.816 ( -0.725 7.463 -0.700) 7.531 2.028 ( -0.501 0.269 1.296) 1.415 2.064 ( 0.992 -0.367 0.002) 1.058 2.212 ( 1.437 1.632 1.518) 2.652 2.255 ( -0.889 2.286 -1.827) 3.058 2.575 ( -0.001 -0.417 0.518) 0.666 4.160 ( -3.625 6.076 0.292) 7.081 4.211 ( 5.574 1.715 -4.264) 7.224 5.134 ( -0.916 -22.821 2.214) 22.946 8.224 ( -1.446 -6.521 1.705) 6.893 8.672 ( -0.123 -0.370 0.408) 0.564 8.815 ( 0.512 3.370 0.789) 3.499 8.975 ( -2.790 7.927 -2.593) 8.795 9.142 ( 1.255 1.155 -0.912) 1.934 9.581 ( 1.868 -3.696 2.935) 5.076 ======================= Grid point 272 (124/168) ======================= q-point: ( 0.18 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.326 0.000 6.774) 6.782 0.591 ( 5.137 0.000 -4.265) 6.677 0.596 ( -0.793 -0.000 -8.632) 8.668 0.673 ( 4.517 0.000 5.161) 6.858 0.963 ( 5.687 0.000 -1.455) 5.870 1.005 ( 1.855 0.000 -2.951) 3.486 1.058 ( -1.014 -0.000 0.392) 1.087 1.139 ( -2.028 -0.000 1.464) 2.501 1.301 ( -5.394 -0.000 3.007) 6.175 1.311 ( -5.533 -0.000 -3.413) 6.501 1.432 ( -4.139 -0.000 0.674) 4.194 1.479 ( -2.049 -0.000 0.689) 2.161 1.562 ( 2.061 0.000 1.618) 2.620 1.604 ( 2.644 0.000 3.546) 4.424 1.751 ( 6.504 0.000 3.295) 7.291 1.840 ( 0.962 0.000 -0.328) 1.017 1.916 ( -5.963 -0.000 -3.136) 6.738 2.155 ( -0.267 -0.000 -0.487) 0.555 2.218 ( -1.320 -0.000 -4.149) 4.354 2.270 ( 4.204 0.000 1.657) 4.518 2.644 ( 0.457 0.000 -0.891) 1.002 3.272 ( 0.239 0.000 -0.166) 0.291 4.600 ( 4.248 0.000 -5.686) 7.098 5.756 ( -9.568 -0.000 6.254) 11.431 8.424 ( 0.141 0.000 -0.130) 0.192 8.490 ( -5.723 -0.000 6.220) 8.453 8.520 ( -0.032 -0.000 0.153) 0.157 8.895 ( 2.175 0.000 3.025) 3.726 9.096 ( -1.144 -0.000 -3.224) 3.421 9.771 ( 3.253 0.000 -4.097) 5.231 ======================= Grid point 274 (125/168) ======================= q-point: ( 0.27 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -0.520 -3.615 2.931) 4.683 0.607 ( 1.885 -2.292 -8.095) 8.622 0.632 ( 5.414 -2.334 -3.046) 6.636 0.730 ( 4.727 -1.465 4.972) 7.015 0.940 ( -1.042 1.116 1.772) 2.339 1.033 ( 2.768 -1.487 -2.570) 4.059 1.082 ( -0.325 -1.443 0.902) 1.732 1.174 ( -3.725 -4.989 -0.928) 6.295 1.293 ( -2.041 -0.209 2.305) 3.086 1.317 ( -4.353 -2.819 -2.917) 5.950 1.422 ( -2.048 -1.834 -1.396) 3.083 1.478 ( -3.634 -1.496 -0.159) 3.933 1.603 ( 1.553 -1.007 2.592) 3.185 1.615 ( 3.062 -0.110 2.765) 4.127 1.797 ( 4.314 0.021 3.807) 5.754 1.864 ( 2.173 -2.076 0.126) 3.007 1.903 ( -5.579 -3.072 -1.313) 6.503 2.138 ( -0.618 4.273 0.437) 4.340 2.159 ( -0.277 -0.445 -5.289) 5.315 2.287 ( 3.789 0.854 1.141) 4.048 2.609 ( 0.049 2.088 -0.187) 2.097 3.573 ( -2.049 -24.973 -0.428) 25.060 4.516 ( 3.749 8.789 -5.338) 10.945 5.515 ( -6.143 18.825 4.229) 20.249 8.343 ( -2.027 6.857 3.337) 7.891 8.544 ( -0.857 -10.266 -0.080) 10.302 8.661 ( -2.066 -6.113 1.510) 6.627 8.920 ( -0.634 -2.411 3.398) 4.214 9.076 ( -0.034 0.934 -2.411) 2.586 9.712 ( 1.918 6.070 -4.338) 7.704 ======================= Grid point 275 (126/168) ======================= q-point: ( 0.36 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 1.610 -0.461 -1.625) 2.334 0.672 ( -1.489 -6.211 -5.221) 8.249 0.721 ( 2.853 -4.101 1.166) 5.130 0.802 ( 4.151 -2.762 0.621) 5.025 0.942 ( -2.140 -0.699 3.928) 4.527 1.032 ( -4.863 -0.236 2.103) 5.304 1.124 ( -2.340 -1.308 -0.682) 2.766 1.255 ( -3.715 -2.849 -0.816) 4.752 1.282 ( 0.306 -3.359 -0.397) 3.396 1.381 ( 0.754 -4.697 -3.707) 6.030 1.429 ( 2.278 0.312 -2.513) 3.406 1.535 ( -2.370 -4.995 -0.528) 5.554 1.623 ( 1.593 -1.057 3.355) 3.862 1.664 ( 2.535 -1.367 0.640) 2.951 1.826 ( 1.642 -1.257 2.264) 3.066 1.929 ( 1.448 -1.791 0.708) 2.409 1.968 ( -1.439 -5.344 1.277) 5.680 2.059 ( 0.496 3.000 -2.037) 3.660 2.164 ( -1.379 -0.777 -0.562) 1.680 2.296 ( 1.408 -0.573 0.493) 1.598 2.580 ( -0.019 0.598 -0.390) 0.714 4.037 ( -3.225 -20.535 -0.281) 20.789 4.291 ( 2.655 14.080 -3.283) 14.700 5.078 ( -3.245 21.585 0.524) 21.834 8.218 ( -1.113 6.247 2.593) 6.854 8.689 ( 0.318 1.540 0.493) 1.648 8.745 ( -1.736 -9.037 0.484) 9.215 9.016 ( -4.673 -6.101 0.451) 7.698 9.060 ( 2.101 -0.200 1.394) 2.529 9.569 ( -0.610 6.250 -5.020) 8.039 ======================= Grid point 276 (127/168) ======================= q-point: ( 0.45 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.743 -0.630 -1.130) 1.492 0.734 ( -6.194 -2.278 0.995) 6.674 0.838 ( 0.547 -7.092 -3.131) 7.772 0.868 ( 1.320 -1.399 -1.349) 2.349 0.958 ( -1.553 -1.671 5.198) 5.677 1.026 ( -5.018 -1.101 -1.076) 5.249 1.098 ( -3.969 -0.874 -0.664) 4.118 1.292 ( 0.479 -2.196 -0.754) 2.371 1.362 ( 4.924 -0.928 0.083) 5.011 1.438 ( 4.119 -0.916 -1.425) 4.454 1.474 ( -1.135 -4.175 -1.768) 4.674 1.605 ( 1.881 -2.687 0.811) 3.379 1.673 ( 1.879 -0.298 0.244) 1.918 1.721 ( -1.517 -6.176 0.425) 6.374 1.870 ( 2.203 -1.051 1.438) 2.833 1.946 ( 0.251 0.697 0.774) 1.072 1.984 ( -0.656 2.788 -3.021) 4.163 2.075 ( 0.282 -3.282 0.680) 3.364 2.172 ( -1.340 -1.071 1.488) 2.271 2.346 ( -1.095 -4.310 2.139) 4.935 2.590 ( 0.648 -1.725 -1.579) 2.426 3.813 ( 2.634 30.222 -0.608) 30.343 4.424 ( -4.559 -15.770 -1.300) 16.467 4.730 ( -2.346 11.270 -1.766) 11.646 8.093 ( -0.721 6.569 1.551) 6.788 8.634 ( -0.475 3.497 1.317) 3.767 8.852 ( 0.042 -1.238 1.828) 2.208 9.037 ( -1.481 -1.261 -3.761) 4.235 9.154 ( -1.407 -5.473 5.521) 7.900 9.487 ( -1.292 -0.363 -6.672) 6.806 ======================= Grid point 277 (128/168) ======================= q-point: ( 0.55 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -0.837 -1.828 0.908) 2.206 0.736 ( -5.575 -2.164 1.982) 6.300 0.864 ( 1.489 1.205 -1.508) 2.438 0.962 ( -1.241 -4.185 -2.605) 5.083 0.987 ( -3.337 -3.957 -0.345) 5.188 1.052 ( -1.909 -3.181 -0.374) 3.729 1.124 ( 0.009 -1.789 0.800) 1.959 1.328 ( 0.072 -1.978 -4.553) 4.964 1.366 ( 4.517 2.344 0.536) 5.117 1.467 ( 2.056 0.440 0.003) 2.103 1.512 ( 2.644 0.972 2.152) 3.544 1.672 ( -1.219 -0.435 0.504) 1.389 1.686 ( 1.907 -3.823 0.302) 4.283 1.853 ( -1.934 -5.833 0.583) 6.173 1.873 ( -2.372 1.141 -1.604) 3.082 1.905 ( 1.837 1.946 -0.876) 2.816 1.931 ( 3.033 2.494 0.456) 3.953 2.104 ( -0.883 0.241 -0.055) 0.917 2.209 ( -1.245 -2.914 0.839) 3.278 2.444 ( -1.701 -4.849 4.217) 6.647 2.638 ( 1.296 -2.797 -2.685) 4.088 3.182 ( 0.591 31.679 0.013) 31.684 4.578 ( -1.306 3.363 -2.009) 4.129 4.651 ( -2.819 -9.617 -1.148) 10.087 7.973 ( -0.424 5.215 0.600) 5.266 8.568 ( -0.810 3.152 2.015) 3.828 8.830 ( -0.305 2.638 2.584) 3.705 9.053 ( -0.225 -1.774 -3.391) 3.833 9.267 ( -2.224 -5.306 5.636) 8.053 9.504 ( 0.384 -2.314 -7.239) 7.610 ======================= Grid point 278 (129/168) ======================= q-point: ( 0.64 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -1.146 -2.252 3.938) 4.679 0.796 ( 1.066 -4.840 0.844) 5.027 0.844 ( 1.773 0.790 -2.265) 2.983 0.988 ( -1.133 -1.571 -0.756) 2.079 1.077 ( -2.635 -5.240 -2.592) 6.412 1.090 ( -0.363 -1.593 -0.641) 1.755 1.148 ( 0.754 -0.121 0.655) 1.006 1.323 ( 3.597 2.627 -1.524) 4.708 1.365 ( -2.523 -1.902 -2.422) 3.981 1.448 ( -0.874 0.980 -1.347) 1.882 1.471 ( 1.824 4.208 0.447) 4.608 1.657 ( 0.337 2.494 2.915) 3.851 1.778 ( -3.036 2.223 -1.896) 4.214 1.779 ( 0.274 -2.805 1.525) 3.204 1.882 ( 5.029 3.419 2.861) 6.720 1.912 ( 1.000 -0.677 0.241) 1.232 1.971 ( -1.382 -3.687 -2.314) 4.568 2.079 ( -1.507 0.556 -1.052) 1.921 2.257 ( -0.424 -1.835 0.969) 2.118 2.513 ( -2.025 -1.694 4.710) 5.400 2.682 ( 1.513 -1.118 -3.102) 3.628 2.721 ( 0.098 12.779 -0.110) 12.780 4.537 ( -0.585 0.180 -0.253) 0.662 4.785 ( -0.350 -5.283 -1.449) 5.489 7.903 ( -0.084 1.719 0.041) 1.722 8.521 ( -0.900 1.433 2.078) 2.679 8.791 ( -0.988 1.410 2.470) 3.010 9.083 ( 0.852 -1.741 -2.808) 3.412 9.354 ( -2.316 -3.086 6.055) 7.180 9.520 ( 1.761 -0.472 -6.455) 6.707 ======================= Grid point 279 (130/168) ======================= q-point: (-0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -2.653 -0.460 4.037) 4.853 0.808 ( 2.900 2.340 -4.072) 5.520 0.945 ( 2.110 -5.979 1.376) 6.488 1.009 ( 0.041 -0.992 -0.845) 1.304 1.120 ( 1.366 -2.031 1.048) 2.663 1.139 ( 2.804 -0.033 -1.655) 3.256 1.157 ( -1.306 -2.402 0.227) 2.743 1.270 ( 1.441 3.735 -2.157) 4.547 1.350 ( -1.614 4.033 -1.482) 4.590 1.396 ( -0.422 -1.510 0.374) 1.612 1.483 ( -4.467 -4.477 -3.710) 7.332 1.581 ( 1.621 6.381 2.660) 7.100 1.714 ( -1.474 1.652 0.058) 2.214 1.793 ( 1.540 3.611 1.731) 4.291 1.887 ( 1.823 -1.326 1.672) 2.806 1.934 ( -2.809 3.383 -1.020) 4.514 1.959 ( 1.950 -1.722 -0.387) 2.630 2.099 ( -0.679 -2.515 -1.564) 3.039 2.276 ( -0.049 0.017 0.999) 1.000 2.507 ( -2.107 2.236 4.612) 5.541 2.682 ( 1.500 1.399 -3.118) 3.732 2.727 ( 0.134 -13.177 -0.081) 13.178 4.555 ( 0.057 -1.947 1.305) 2.344 4.842 ( 1.073 -0.513 -1.660) 2.042 7.909 ( 0.020 -2.336 -0.079) 2.337 8.518 ( -0.964 -1.146 1.890) 2.411 8.780 ( -1.164 -0.292 2.052) 2.378 9.110 ( 1.416 -0.974 -2.317) 2.885 9.373 ( -2.403 1.466 3.468) 4.467 9.523 ( 2.599 -0.240 -2.419) 3.559 ======================= Grid point 280 (131/168) ======================= q-point: (-0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -3.492 1.190 2.217) 4.304 0.752 ( 3.011 3.889 -3.525) 6.051 0.981 ( -3.529 2.264 0.724) 4.255 1.005 ( 0.316 2.442 1.059) 2.681 1.116 ( 1.737 2.766 0.265) 3.277 1.165 ( 1.356 1.807 -3.882) 4.491 1.183 ( 1.036 0.115 1.017) 1.456 1.249 ( 0.123 -3.051 0.510) 3.096 1.319 ( 1.535 -2.665 -1.477) 3.412 1.450 ( 2.293 2.299 1.221) 3.469 1.458 ( 1.738 0.576 2.272) 2.917 1.534 ( -5.349 -3.544 -4.720) 7.966 1.672 ( 0.922 4.322 3.593) 5.695 1.721 ( 0.649 3.163 -0.017) 3.229 1.813 ( -2.539 5.833 -3.427) 7.225 1.931 ( 0.625 -2.045 0.364) 2.169 1.998 ( 1.060 0.056 1.193) 1.597 2.123 ( -0.423 -0.357 -1.338) 1.448 2.265 ( -0.200 1.015 0.874) 1.354 2.434 ( -1.822 4.979 3.982) 6.631 2.636 ( 1.209 2.959 -2.443) 4.023 3.168 ( 0.004 -29.289 0.041) 29.289 4.619 ( 0.142 -4.051 2.787) 4.920 4.794 ( 0.868 5.508 -3.174) 6.416 7.985 ( -0.322 -5.191 0.289) 5.209 8.561 ( -0.845 -3.029 1.823) 3.635 8.801 ( -0.938 -1.921 1.440) 2.577 9.118 ( 1.134 0.433 -2.279) 2.582 9.300 ( -1.645 4.886 0.921) 5.237 9.540 ( 2.028 -0.013 0.967) 2.247 ======================= Grid point 281 (132/168) ======================= q-point: (-0.09 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -0.906 2.353 -0.337) 2.544 0.683 ( 1.921 3.640 -0.442) 4.139 0.848 ( -1.639 8.344 0.767) 8.538 0.958 ( -2.465 2.207 2.985) 4.456 1.031 ( -2.058 6.022 -1.358) 6.507 1.113 ( 0.587 3.676 -2.261) 4.355 1.158 ( 1.464 1.988 0.014) 2.469 1.290 ( 0.831 0.369 -0.129) 0.918 1.373 ( -4.357 -0.937 -0.556) 4.492 1.410 ( 4.973 -2.563 1.100) 5.702 1.554 ( -5.320 -2.651 -3.594) 6.946 1.563 ( 2.241 4.606 2.442) 5.674 1.579 ( 6.166 -1.257 2.234) 6.677 1.667 ( -0.158 5.946 -0.693) 5.988 1.699 ( -0.960 0.114 -2.395) 2.582 1.937 ( 0.350 3.998 -1.173) 4.181 1.995 ( -0.011 -1.500 2.406) 2.835 2.100 ( -0.510 2.010 -1.282) 2.438 2.244 ( -0.525 1.112 0.437) 1.305 2.331 ( -0.818 5.234 2.066) 5.686 2.587 ( 0.652 1.694 -1.045) 2.094 3.754 ( 0.658 -27.898 0.087) 27.905 4.564 ( -0.579 14.499 -1.044) 14.548 4.795 ( -0.302 -11.305 -0.381) 11.316 8.097 ( -0.867 -6.210 1.152) 6.375 8.626 ( -0.392 -3.307 1.407) 3.615 8.837 ( -0.661 -1.126 0.891) 1.581 9.084 ( 0.241 3.491 -1.981) 4.022 9.193 ( -1.203 4.609 0.290) 4.772 9.552 ( 1.012 -0.594 1.018) 1.553 ======================= Grid point 286 (133/168) ======================= q-point: ( 0.27 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 0.621 0.000 -3.582) 3.636 0.606 ( 6.857 0.000 0.383) 6.868 0.628 ( 6.508 0.000 -5.204) 8.333 0.760 ( 4.846 0.000 6.047) 7.749 0.944 ( -4.128 -0.000 -2.209) 4.682 1.048 ( -1.421 -0.000 1.162) 1.835 1.062 ( 8.208 0.000 -6.044) 10.193 1.093 ( -5.668 -0.000 2.717) 6.286 1.233 ( -4.951 -0.000 -3.716) 6.190 1.276 ( -4.387 -0.000 3.480) 5.600 1.423 ( 1.547 0.000 2.017) 2.541 1.441 ( -4.265 -0.000 -0.503) 4.294 1.601 ( 2.643 0.000 2.101) 3.376 1.636 ( -0.250 -0.000 3.083) 3.093 1.817 ( -8.087 -0.000 -2.410) 8.438 1.845 ( 5.616 0.000 5.353) 7.759 1.848 ( 0.747 0.000 -0.493) 0.895 2.141 ( 0.106 0.000 -4.299) 4.301 2.185 ( -1.783 -0.000 -1.017) 2.052 2.333 ( 5.437 0.000 1.022) 5.533 2.641 ( 0.028 0.000 -1.257) 1.257 3.274 ( 0.229 0.000 -0.249) 0.339 4.605 ( 2.446 0.000 -6.688) 7.121 5.688 ( -8.164 -0.000 5.400) 9.789 8.425 ( 0.146 0.000 -0.138) 0.201 8.464 ( -4.833 -0.000 5.726) 7.493 8.521 ( -0.029 -0.000 0.149) 0.152 8.902 ( -2.413 -0.000 0.146) 2.417 9.092 ( 2.169 0.000 -0.280) 2.187 9.783 ( 2.951 0.000 -4.315) 5.228 ======================= Grid point 287 (134/168) ======================= q-point: ( 0.36 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 1.060 -3.317 -4.701) 5.850 0.631 ( 6.075 0.557 -3.349) 6.959 0.697 ( 7.405 -2.255 0.066) 7.741 0.801 ( 3.270 -0.399 3.520) 4.821 0.913 ( -4.308 -0.668 -0.795) 4.432 1.029 ( -2.498 0.698 3.613) 4.447 1.087 ( -0.578 -0.475 -0.358) 0.830 1.134 ( -1.841 -5.686 -0.523) 5.999 1.242 ( -5.392 -0.954 -1.364) 5.644 1.291 ( 0.738 -3.730 -2.921) 4.795 1.408 ( -2.004 -2.494 -0.635) 3.261 1.462 ( 1.982 -0.525 0.722) 2.173 1.624 ( -0.432 -0.075 2.674) 2.710 1.652 ( 1.271 -1.667 1.696) 2.696 1.792 ( -6.218 -2.291 -1.229) 6.740 1.876 ( 0.591 -2.327 0.637) 2.484 1.909 ( 4.492 -2.008 4.446) 6.631 2.119 ( 0.837 2.642 -6.244) 6.831 2.146 ( -1.289 0.399 1.856) 2.295 2.333 ( 3.702 2.255 0.384) 4.352 2.605 ( -0.459 1.994 -0.463) 2.098 3.552 ( -1.444 -23.372 -0.171) 23.417 4.519 ( 2.058 7.843 -5.660) 9.888 5.472 ( -5.133 17.609 3.020) 18.589 8.338 ( -1.910 6.287 3.065) 7.250 8.535 ( -0.786 -9.694 0.135) 9.727 8.655 ( -0.868 -6.519 1.722) 6.799 8.893 ( -4.218 -2.008 -1.245) 4.835 9.092 ( 2.448 1.280 1.348) 3.074 9.709 ( 1.635 7.352 -4.289) 8.667 ======================= Grid point 288 (135/168) ======================= q-point: ( 0.45 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -0.617 -2.749 -1.375) 3.135 0.644 ( 3.642 -1.293 -6.934) 7.938 0.753 ( -0.079 -1.077 2.406) 2.637 0.841 ( 2.975 -1.945 -1.011) 3.695 0.926 ( -2.618 -2.284 0.734) 3.551 1.004 ( -2.981 1.060 5.483) 6.331 1.070 ( -5.567 0.567 -0.637) 5.632 1.226 ( -1.248 -3.784 0.281) 3.995 1.290 ( 1.806 -7.278 -1.172) 7.589 1.380 ( 1.306 -5.011 -2.533) 5.764 1.461 ( 4.569 0.753 -1.222) 4.789 1.513 ( -0.704 -5.769 -0.288) 5.819 1.634 ( -1.807 -1.500 1.721) 2.911 1.695 ( 1.938 -0.943 0.695) 2.265 1.828 ( -2.414 -3.441 1.067) 4.337 1.927 ( -0.222 -2.039 -0.020) 2.051 1.987 ( 1.751 -2.900 1.168) 3.584 2.052 ( 0.848 2.603 -3.215) 4.223 2.162 ( -0.232 -1.414 3.340) 3.635 2.308 ( 0.807 0.917 -0.421) 1.292 2.576 ( -0.299 0.417 -0.626) 0.809 4.007 ( -1.848 -21.870 -0.552) 21.955 4.298 ( 1.587 15.352 -2.935) 15.710 5.044 ( -2.987 21.801 -0.076) 22.005 8.219 ( -0.989 6.148 2.372) 6.664 8.694 ( -0.153 1.810 1.115) 2.131 8.736 ( -0.365 -9.681 0.345) 9.695 8.954 ( -4.505 -5.525 -2.476) 7.547 9.102 ( 1.938 -1.274 4.088) 4.700 9.534 ( -0.693 7.835 -5.493) 9.594 ======================= Grid point 289 (136/168) ======================= q-point: ( 0.55 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 1.256 0.182 -2.413) 2.726 0.666 ( -6.186 -2.132 1.332) 6.678 0.809 ( -1.976 -5.479 -2.095) 6.189 0.874 ( 0.448 -0.629 -2.747) 2.853 0.972 ( -3.457 -0.244 0.401) 3.489 0.975 ( 0.998 -2.295 0.556) 2.564 1.084 ( -0.056 -2.734 4.081) 4.913 1.284 ( -0.112 -2.201 -3.148) 3.843 1.423 ( 4.125 0.402 -0.026) 4.144 1.464 ( 1.694 -6.792 0.649) 7.030 1.479 ( 3.272 -0.737 0.428) 3.381 1.615 ( -0.475 -4.183 1.092) 4.349 1.681 ( -3.284 -3.400 -2.083) 5.165 1.715 ( 3.290 -1.303 0.939) 3.661 1.867 ( -3.792 -0.546 0.260) 3.840 1.931 ( 0.101 0.939 -2.228) 2.420 2.000 ( 2.550 1.104 0.649) 2.854 2.067 ( -1.066 -3.245 -1.319) 3.661 2.185 ( 0.867 0.667 2.870) 3.071 2.343 ( -1.448 -4.735 2.341) 5.476 2.588 ( 0.527 -1.913 -1.715) 2.623 3.835 ( 1.819 31.077 -0.623) 31.137 4.378 ( -2.340 -16.032 -1.240) 16.250 4.695 ( -2.059 10.937 -1.831) 11.279 8.093 ( -0.526 6.697 1.392) 6.861 8.635 ( -0.624 3.553 1.499) 3.906 8.861 ( -0.104 -1.804 1.718) 2.493 9.003 ( -1.064 -2.536 -3.609) 4.537 9.177 ( -0.406 -3.766 6.685) 7.683 9.436 ( -1.140 -0.824 -7.862) 7.987 ======================= Grid point 290 (137/168) ======================= q-point: ( 0.64 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 1.476 -2.557 1.482) 3.303 0.700 ( -2.987 -3.974 2.037) 5.372 0.852 ( -1.750 -0.318 -1.971) 2.655 0.927 ( -1.435 -6.059 -4.201) 7.511 0.967 ( 0.268 -0.647 -0.760) 1.034 1.040 ( -0.238 -3.132 0.096) 3.143 1.146 ( 1.562 -1.411 3.681) 4.240 1.293 ( -1.198 -0.882 -5.584) 5.779 1.409 ( 2.592 1.983 0.226) 3.271 1.481 ( 0.720 1.870 0.094) 2.007 1.572 ( 4.484 1.386 2.970) 5.554 1.664 ( -0.628 -1.390 1.487) 2.130 1.705 ( 0.968 -3.341 0.144) 3.481 1.797 ( -5.642 0.958 -1.782) 5.993 1.834 ( -2.103 -6.024 -1.535) 6.562 1.918 ( 1.301 0.443 -1.315) 1.902 1.995 ( 5.025 2.790 2.160) 6.140 2.083 ( -2.268 0.619 -1.237) 2.656 2.205 ( -0.429 -2.730 0.982) 2.932 2.447 ( -1.817 -4.899 4.428) 6.849 2.638 ( 1.268 -2.891 -2.780) 4.207 3.188 ( 0.290 32.152 0.009) 32.153 4.557 ( -0.867 2.928 -1.267) 3.306 4.624 ( -0.663 -10.342 -1.536) 10.476 7.973 ( -0.179 5.281 0.499) 5.307 8.569 ( -0.883 3.112 2.043) 3.826 8.837 ( -0.851 2.896 2.662) 4.024 9.038 ( 0.787 -2.263 -3.498) 4.240 9.277 ( -1.498 -4.943 6.497) 8.300 9.469 ( 0.378 -3.333 -7.632) 8.337 ======================= Grid point 291 (138/168) ======================= q-point: (-0.27 -0.73 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.010 -1.062 4.992) 5.104 0.816 ( 1.602 -6.054 -0.937) 6.332 0.843 ( 0.208 -0.965 -1.843) 2.091 0.985 ( 1.960 -1.330 -1.982) 3.089 1.031 ( -2.751 -6.185 -1.775) 6.998 1.090 ( 0.206 -2.079 -0.070) 2.091 1.165 ( 1.543 0.564 1.025) 1.937 1.294 ( -2.232 -1.299 -4.507) 5.195 1.383 ( 2.756 2.097 1.380) 3.728 1.426 ( -1.459 2.519 -1.554) 3.300 1.489 ( 0.542 6.453 0.130) 6.477 1.676 ( 0.418 1.477 3.575) 3.891 1.732 ( -2.708 1.774 -1.581) 3.603 1.799 ( 1.065 -3.583 1.493) 4.026 1.916 ( -1.444 -1.800 0.333) 2.332 1.938 ( 2.487 0.487 -0.162) 2.539 1.953 ( 1.205 0.986 -0.873) 1.785 2.054 ( -1.330 0.000 -1.095) 1.723 2.258 ( -0.241 -2.013 0.876) 2.209 2.514 ( -2.140 -1.615 4.736) 5.442 2.682 ( 1.495 -1.088 -3.127) 3.633 2.721 ( 0.103 12.769 -0.169) 12.770 4.531 ( -0.365 -0.461 0.083) 0.594 4.778 ( 0.591 -5.792 -1.495) 6.011 7.903 ( 0.046 1.729 0.005) 1.729 8.522 ( -0.903 1.495 2.050) 2.693 8.792 ( -1.169 1.576 2.466) 3.151 9.080 ( 1.254 -2.081 -2.812) 3.716 9.363 ( -2.045 -2.468 6.529) 7.273 9.505 ( 1.715 -1.778 -6.619) 7.065 ======================= Grid point 292 (139/168) ======================= q-point: (-0.18 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -2.227 0.969 4.737) 5.323 0.812 ( 2.022 1.729 -4.576) 5.293 0.935 ( -3.990 -3.171 1.352) 5.273 1.035 ( 4.756 -1.887 -1.995) 5.492 1.120 ( -2.475 -3.191 -0.665) 4.093 1.139 ( -0.639 -3.457 -0.100) 3.517 1.174 ( 2.599 -0.875 -0.756) 2.845 1.261 ( 0.437 3.008 -2.470) 3.917 1.331 ( -0.817 4.780 0.479) 4.873 1.403 ( 0.819 -2.502 -0.527) 2.685 1.447 ( 0.639 -2.391 -0.221) 2.484 1.601 ( 0.315 6.562 1.138) 6.667 1.703 ( -1.002 0.367 0.939) 1.422 1.816 ( 0.995 3.303 0.344) 3.466 1.887 ( -3.103 2.054 0.010) 3.721 1.922 ( 2.671 1.865 -0.084) 3.259 1.976 ( 0.837 -2.418 -0.549) 2.617 2.084 ( -0.720 -2.646 -0.617) 2.810 2.277 ( -0.505 0.038 0.833) 0.975 2.508 ( -2.059 2.224 4.566) 5.481 2.682 ( 1.469 1.396 -3.166) 3.759 2.727 ( -0.084 -13.164 -0.071) 13.165 4.560 ( -0.162 -2.420 0.937) 2.600 4.840 ( 0.223 -0.448 -1.621) 1.697 7.909 ( -0.078 -2.273 -0.030) 2.275 8.518 ( -0.885 -1.109 1.913) 2.382 8.779 ( -0.981 -0.234 2.132) 2.358 9.111 ( 0.936 -1.029 -2.400) 2.774 9.366 ( -2.450 2.211 3.803) 5.036 9.536 ( 2.337 -1.455 -3.144) 4.179 ======================= Grid point 293 (140/168) ======================= q-point: (-0.09 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -2.700 1.887 2.700) 4.259 0.769 ( 3.171 3.021 -2.619) 5.103 0.930 ( -5.960 0.899 1.946) 6.334 1.021 ( 0.247 4.567 1.800) 4.915 1.122 ( -2.850 4.963 -1.389) 5.889 1.140 ( 0.894 -0.050 -3.355) 3.472 1.181 ( -1.523 -0.616 -0.060) 1.644 1.270 ( 2.776 -1.707 -0.128) 3.261 1.312 ( -0.970 -4.081 -2.729) 5.004 1.440 ( -1.471 2.267 -0.564) 2.761 1.484 ( 0.552 1.646 -1.784) 2.489 1.550 ( 8.259 -4.648 3.153) 9.988 1.693 ( -0.444 1.096 2.190) 2.488 1.717 ( -0.848 5.779 -2.397) 6.313 1.793 ( 0.962 6.026 1.365) 6.253 1.937 ( 0.595 -1.333 -0.604) 1.580 2.009 ( 0.272 -0.246 -0.374) 0.524 2.109 ( -1.101 -0.325 -0.263) 1.178 2.261 ( -1.352 1.165 0.673) 1.907 2.436 ( -1.588 4.943 3.895) 6.491 2.636 ( 1.226 2.894 -2.509) 4.021 3.169 ( 0.117 -29.540 0.012) 29.541 4.629 ( -0.501 -4.629 1.483) 4.886 4.775 ( -1.371 6.439 -2.731) 7.127 7.982 ( -0.498 -5.129 0.453) 5.173 8.562 ( -0.722 -3.110 1.818) 3.675 8.801 ( -0.487 -1.875 1.747) 2.608 9.113 ( 0.123 0.569 -2.339) 2.410 9.287 ( -2.093 4.920 2.023) 5.717 9.557 ( 1.323 -0.078 -1.505) 2.005 ======================= Grid point 299 (141/168) ======================= q-point: ( 0.36 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 4.234 0.000 -5.374) 6.842 0.681 ( 7.110 0.000 -3.559) 7.951 0.713 ( 10.402 0.000 1.891) 10.572 0.826 ( 1.745 0.000 3.957) 4.325 0.864 ( -7.149 -0.000 -2.741) 7.656 1.041 ( -1.450 -0.000 2.352) 2.763 1.050 ( -3.905 -0.000 3.327) 5.130 1.115 ( 2.247 0.000 -0.080) 2.249 1.172 ( -2.341 -0.000 -3.414) 4.140 1.247 ( 0.590 0.000 -3.074) 3.130 1.388 ( -4.381 -0.000 -1.196) 4.542 1.451 ( -1.616 -0.000 3.534) 3.886 1.630 ( -1.609 -0.000 -0.104) 1.612 1.636 ( 1.838 0.000 1.848) 2.606 1.720 ( -6.459 -0.000 -0.887) 6.520 1.851 ( 0.387 0.000 -0.544) 0.667 1.941 ( 5.352 0.000 6.720) 8.590 2.120 ( 0.734 0.000 -5.112) 5.164 2.165 ( -1.502 -0.000 0.002) 1.502 2.392 ( 4.258 0.000 0.581) 4.298 2.632 ( -0.396 -0.000 -1.086) 1.156 3.275 ( 0.156 0.000 -0.273) 0.314 4.587 ( 0.605 0.000 -6.454) 6.483 5.633 ( -5.954 -0.000 3.746) 7.034 8.426 ( 0.122 0.000 -0.140) 0.186 8.442 ( -3.883 -0.000 4.570) 5.997 8.521 ( -0.041 -0.000 0.148) 0.153 8.862 ( -2.989 -0.000 -2.216) 3.721 9.125 ( 2.436 0.000 1.699) 2.970 9.793 ( 2.403 0.000 -3.367) 4.137 ======================= Grid point 300 (142/168) ======================= q-point: ( 0.45 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 3.431 -1.814 -5.303) 6.572 0.681 ( 5.257 1.876 -3.738) 6.717 0.774 ( 2.447 1.370 4.029) 4.909 0.828 ( 2.120 -1.439 -2.679) 3.707 0.865 ( -2.683 -2.058 2.171) 4.018 1.023 ( -3.384 0.360 5.200) 6.215 1.058 ( -2.664 1.003 -0.161) 2.851 1.140 ( 2.226 -4.861 1.358) 5.516 1.182 ( -3.657 -2.008 -2.023) 4.637 1.283 ( -0.565 -2.840 -3.615) 4.632 1.393 ( 2.094 -5.164 -1.470) 5.763 1.489 ( -0.539 -2.120 2.064) 3.007 1.626 ( -1.230 0.869 2.001) 2.504 1.641 ( -2.584 -2.246 -2.592) 4.294 1.741 ( -1.607 -3.822 1.601) 4.445 1.879 ( 0.046 -2.407 -0.595) 2.480 1.986 ( 4.285 -0.111 4.741) 6.391 2.101 ( 1.204 1.920 -5.360) 5.819 2.142 ( -1.336 -0.034 2.563) 2.891 2.368 ( 2.448 3.551 -0.377) 4.329 2.595 ( -0.864 1.898 -0.352) 2.115 3.541 ( -0.333 -22.430 -0.299) 22.434 4.505 ( 0.450 6.787 -5.032) 8.461 5.436 ( -3.626 16.960 2.159) 17.477 8.334 ( -1.473 5.812 2.662) 6.560 8.529 ( -0.358 -9.357 0.110) 9.365 8.658 ( -0.347 -7.646 2.023) 7.917 8.837 ( -3.518 -0.701 -2.944) 4.640 9.127 ( 2.003 1.186 1.953) 3.038 9.704 ( 1.097 8.634 -3.404) 9.345 ======================= Grid point 301 (143/168) ======================= q-point: ( 0.55 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -0.492 -2.894 -3.221) 4.358 0.643 ( -1.482 2.417 -3.480) 4.489 0.755 ( 0.513 0.200 3.051) 3.101 0.860 ( 1.318 -0.376 -2.053) 2.468 0.898 ( -3.084 -2.736 0.829) 4.205 1.004 ( -0.795 2.122 -0.219) 2.277 1.048 ( 1.343 -2.163 4.603) 5.260 1.213 ( -0.993 -3.830 -1.544) 4.247 1.315 ( 3.118 -8.817 -0.001) 9.352 1.368 ( -1.781 -6.656 -1.537) 7.059 1.507 ( 2.373 0.730 0.462) 2.525 1.519 ( 3.107 -4.611 -0.250) 5.566 1.603 ( -4.486 -0.833 -0.588) 4.601 1.704 ( -0.139 -4.159 0.100) 4.162 1.818 ( -0.270 -3.178 2.671) 4.161 1.916 ( -1.092 -1.423 -2.188) 2.829 2.008 ( 1.304 -0.039 0.490) 1.393 2.047 ( 0.730 1.909 -2.495) 3.225 2.189 ( 0.725 -3.008 5.096) 5.962 2.308 ( 0.014 2.313 -1.371) 2.689 2.568 ( -0.438 0.185 -0.548) 0.725 3.993 ( 0.171 -22.079 -0.968) 22.101 4.296 ( 0.675 15.076 -2.537) 15.303 5.015 ( -2.058 22.202 0.176) 22.298 8.221 ( -0.698 6.071 2.071) 6.452 8.699 ( -0.173 1.668 1.623) 2.334 8.738 ( 0.334 -9.170 -0.053) 9.177 8.900 ( -2.935 -6.584 -2.033) 7.490 9.141 ( 1.590 -1.737 3.367) 4.109 9.500 ( -0.733 9.537 -4.759) 10.684 ======================= Grid point 302 (144/168) ======================= q-point: (-0.36 -0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -2.805 -1.212 -0.207) 3.062 0.633 ( -0.593 -2.903 -0.058) 2.963 0.793 ( 0.172 -2.529 0.537) 2.591 0.856 ( -0.033 -0.655 -3.577) 3.637 0.948 ( -1.765 -2.509 1.885) 3.601 0.990 ( 1.995 -0.901 -1.966) 2.942 1.126 ( 2.881 -2.816 4.410) 5.974 1.260 ( -0.506 -1.553 -4.386) 4.680 1.429 ( -1.204 -0.697 0.149) 1.399 1.496 ( 1.089 -4.338 -1.071) 4.600 1.539 ( 5.899 -3.268 3.617) 7.652 1.610 ( -2.970 -6.327 -0.841) 7.039 1.621 ( -2.491 -2.863 -1.373) 4.036 1.760 ( 2.213 -0.526 1.198) 2.571 1.815 ( -3.496 2.804 -0.274) 4.490 1.929 ( 0.672 -0.296 -1.626) 1.784 2.024 ( 1.106 -2.013 0.096) 2.299 2.050 ( -0.612 -1.486 -0.824) 1.806 2.207 ( 0.721 2.379 1.660) 2.989 2.340 ( -1.346 -5.558 2.721) 6.333 2.585 ( 0.435 -2.107 -1.639) 2.704 3.842 ( -0.157 31.123 -0.413) 31.126 4.366 ( 1.605 -15.827 -1.744) 16.003 4.670 ( -1.059 10.768 -0.880) 10.856 8.096 ( -0.260 6.784 1.170) 6.889 8.635 ( -0.774 3.608 1.606) 4.025 8.867 ( -0.438 -1.849 1.526) 2.437 8.981 ( 0.323 -3.567 -2.828) 4.564 9.214 ( 0.469 -2.637 7.322) 7.796 9.383 ( -0.806 -1.190 -8.171) 8.297 ======================= Grid point 303 (145/168) ======================= q-point: (-0.27 -0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 1.104 -6.762 -0.663) 6.883 0.691 ( 2.431 -1.893 2.898) 4.230 0.823 ( -1.658 -0.970 -0.259) 1.938 0.901 ( -0.014 -4.747 -2.367) 5.304 0.973 ( 1.732 -0.889 -1.386) 2.390 1.042 ( 0.442 -2.943 -0.217) 2.984 1.190 ( 2.345 -0.382 4.276) 4.891 1.249 ( -1.336 -0.432 -5.688) 5.859 1.418 ( -0.921 0.851 -0.477) 1.342 1.487 ( 0.191 2.703 -0.528) 2.761 1.604 ( -0.990 3.601 -0.073) 3.735 1.683 ( -1.422 -1.023 1.765) 2.487 1.699 ( 1.067 -6.214 0.271) 6.311 1.752 ( -0.772 0.654 0.908) 1.359 1.815 ( -0.142 -5.299 -0.018) 5.301 1.924 ( 1.098 0.207 -1.515) 1.883 2.035 ( -2.300 2.760 -1.483) 3.887 2.059 ( 2.384 0.234 0.778) 2.519 2.208 ( -0.009 -2.488 0.751) 2.599 2.449 ( -1.975 -4.829 4.371) 6.806 2.637 ( 1.195 -3.001 -2.782) 4.263 3.188 ( -0.233 32.097 -0.021) 32.098 4.545 ( -0.487 2.597 -0.260) 2.655 4.625 ( 2.411 -10.132 -1.675) 10.549 7.975 ( 0.086 5.349 0.364) 5.362 8.569 ( -0.948 3.061 2.014) 3.785 8.839 ( -1.395 2.959 2.579) 4.166 9.035 ( 1.884 -2.426 -3.282) 4.495 9.302 ( -0.356 -4.279 7.019) 8.228 9.434 ( 0.247 -4.172 -7.268) 8.384 ======================= Grid point 304 (146/168) ======================= q-point: (-0.18 -0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.295 0.343 4.555) 4.578 0.804 ( -0.382 -3.375 -4.623) 5.736 0.840 ( 0.219 -3.020 -1.071) 3.212 0.998 ( 1.307 -3.810 -2.257) 4.617 1.022 ( 2.438 -3.953 1.246) 4.808 1.092 ( 0.297 -2.147 -0.185) 2.175 1.182 ( 0.713 0.952 -1.155) 1.657 1.268 ( 0.079 -1.518 0.260) 1.542 1.385 ( -1.739 1.034 -1.849) 2.741 1.428 ( 1.829 2.961 0.508) 3.517 1.480 ( -1.838 5.871 -0.419) 6.166 1.699 ( -1.164 -0.521 0.662) 1.437 1.711 ( 1.207 4.048 2.583) 4.951 1.812 ( 0.340 -3.943 -0.552) 3.996 1.891 ( -2.502 -1.204 0.839) 2.900 1.943 ( -2.855 2.828 -2.127) 4.547 1.959 ( 2.591 -2.743 -1.102) 3.931 2.058 ( 2.029 0.923 0.791) 2.365 2.260 ( -0.236 -1.901 0.682) 2.033 2.514 ( -2.290 -1.641 4.645) 5.432 2.682 ( 1.448 -1.169 -3.146) 3.656 2.721 ( 0.082 12.867 -0.199) 12.869 4.530 ( -0.133 -0.680 0.430) 0.815 4.783 ( 1.612 -5.232 -1.381) 5.646 7.904 ( 0.168 1.833 -0.038) 1.841 8.522 ( -0.921 1.503 1.986) 2.655 8.791 ( -1.292 1.513 2.448) 3.154 9.081 ( 1.605 -1.914 -2.705) 3.682 9.376 ( -1.889 -1.244 6.642) 7.016 9.491 ( 1.844 -3.157 -6.350) 7.327 ======================= Grid point 305 (147/168) ======================= q-point: (-0.09 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -2.326 2.112 4.550) 5.529 0.809 ( 1.976 0.456 -4.552) 4.983 0.888 ( -5.018 -2.025 0.239) 5.417 1.073 ( -1.392 -3.778 -3.446) 5.300 1.078 ( 1.615 0.214 0.972) 1.896 1.135 ( 0.043 -2.067 -1.166) 2.374 1.172 ( -0.864 0.781 -1.645) 2.015 1.264 ( 0.366 0.787 -0.860) 1.222 1.338 ( 1.141 5.183 1.276) 5.458 1.411 ( 1.620 -2.739 -0.259) 3.193 1.489 ( 5.007 -4.975 2.330) 7.433 1.597 ( -1.042 6.537 -1.430) 6.772 1.703 ( -0.299 0.564 2.349) 2.434 1.806 ( -1.548 3.801 -2.001) 4.566 1.873 ( -0.212 0.370 1.494) 1.554 1.945 ( 0.026 -0.862 -0.795) 1.173 1.971 ( 0.889 0.491 -1.675) 1.959 2.083 ( 0.243 -1.918 1.014) 2.183 2.273 ( -0.932 0.337 0.671) 1.197 2.509 ( -2.058 2.137 4.476) 5.370 2.682 ( 1.440 1.390 -3.173) 3.751 2.724 ( -0.218 -13.125 -0.061) 13.127 4.561 ( -0.423 -2.404 0.335) 2.464 4.831 ( -0.485 0.541 -1.425) 1.600 7.907 ( -0.153 -2.134 0.022) 2.139 8.518 ( -0.842 -1.137 1.950) 2.409 8.780 ( -0.815 -0.377 2.276) 2.447 9.106 ( 0.554 -0.624 -2.473) 2.610 9.359 ( -2.553 2.760 4.216) 5.649 9.542 ( 2.111 -1.879 -4.115) 4.992 ======================= Grid point 311 (148/168) ======================= q-point: ( 0.45 0.45 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 3.743 0.000 -5.955) 7.033 0.734 ( 3.463 0.000 -1.450) 3.754 0.768 ( -4.887 -0.000 -1.208) 5.034 0.837 ( -0.757 -0.000 1.033) 1.281 0.853 ( 9.392 0.000 2.552) 9.733 1.018 ( -4.767 -0.000 2.707) 5.481 1.040 ( -1.480 -0.000 2.997) 3.342 1.122 ( -0.885 -0.000 2.993) 3.121 1.154 ( 1.598 0.000 -2.366) 2.855 1.262 ( 3.434 0.000 -6.014) 6.925 1.339 ( -2.770 -0.000 -1.430) 3.118 1.402 ( -7.280 -0.000 3.689) 8.161 1.621 ( 0.368 0.000 -3.843) 3.860 1.659 ( 0.741 0.000 1.386) 1.572 1.678 ( -1.208 -0.000 2.530) 2.804 1.851 ( 0.043 0.000 -0.458) 0.460 2.025 ( 4.010 0.000 4.901) 6.332 2.105 ( 0.582 0.000 -3.085) 3.139 2.149 ( -1.240 -0.000 -0.461) 1.323 2.429 ( 2.321 0.000 -0.411) 2.357 2.622 ( -0.741 -0.000 -0.450) 0.867 3.275 ( 0.043 0.000 -0.229) 0.233 4.555 ( -0.746 -0.000 -5.012) 5.068 5.598 ( -3.311 -0.000 3.002) 4.469 8.426 ( 0.077 0.000 -0.136) 0.156 8.430 ( -2.128 -0.000 3.754) 4.316 8.522 ( -0.063 -0.000 0.149) 0.162 8.823 ( -2.001 -0.000 -1.995) 2.825 9.156 ( 1.719 0.000 1.208) 2.101 9.799 ( 1.356 0.000 -2.487) 2.833 ======================= Grid point 312 (149/168) ======================= q-point: (-0.45 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -0.006 -0.867 -5.423) 5.492 0.675 ( -3.703 3.001 -0.402) 4.783 0.799 ( -3.131 0.405 3.562) 4.760 0.828 ( 3.728 -1.436 0.572) 4.036 0.884 ( 1.200 1.317 -2.117) 2.767 1.019 ( 1.931 -0.723 1.045) 2.311 1.058 ( 0.502 0.291 3.952) 3.994 1.135 ( -2.472 -1.920 -1.211) 3.356 1.189 ( 3.692 -5.355 0.811) 6.555 1.238 ( -3.092 -2.271 -3.223) 5.010 1.415 ( -1.414 -6.264 -1.063) 6.509 1.480 ( 1.545 -6.233 2.728) 6.977 1.581 ( -4.536 1.662 -0.916) 4.917 1.648 ( 3.253 -0.101 -1.604) 3.628 1.750 ( 0.286 -4.283 2.267) 4.854 1.874 ( -0.328 -1.923 -0.749) 2.089 2.038 ( 1.621 1.240 1.536) 2.554 2.087 ( 0.412 2.160 -3.572) 4.194 2.148 ( 0.017 -1.659 2.934) 3.370 2.382 ( 0.791 4.432 -1.123) 4.640 2.584 ( -0.965 1.782 0.238) 2.041 3.542 ( 1.113 -22.414 -0.799) 22.456 4.480 ( -0.821 5.944 -3.417) 6.905 5.418 ( -1.576 16.861 2.315) 17.092 8.335 ( -0.655 5.628 2.338) 6.129 8.528 ( 0.340 -9.409 -0.097) 9.416 8.668 ( 0.182 -9.279 2.377) 9.580 8.791 ( -2.196 1.060 -2.323) 3.368 9.153 ( 1.540 0.996 0.773) 1.990 9.696 ( 0.044 9.573 -2.454) 9.883 ======================= Grid point 313 (150/168) ======================= q-point: (-0.36 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -2.444 -3.267 -2.428) 4.748 0.586 ( -6.313 2.253 2.195) 7.053 0.799 ( 2.848 0.180 2.296) 3.663 0.848 ( 0.493 0.793 -3.783) 3.896 0.886 ( 0.046 -2.588 2.269) 3.442 1.005 ( 1.452 1.257 -0.528) 1.992 1.110 ( 5.913 -1.612 1.347) 6.274 1.191 ( -0.922 -3.968 -1.850) 4.474 1.328 ( -3.166 -8.133 -1.162) 8.805 1.350 ( 1.754 -7.998 0.179) 8.190 1.506 ( -1.457 -2.703 0.828) 3.180 1.531 ( -6.631 -1.900 -1.506) 7.061 1.580 ( 5.268 -0.775 1.364) 5.497 1.710 ( 1.238 -4.189 -0.441) 4.390 1.840 ( 0.592 -3.370 3.329) 4.774 1.888 ( -0.803 -0.306 -2.580) 2.719 2.020 ( 0.735 1.363 -0.270) 1.572 2.037 ( -0.638 0.649 -1.905) 2.111 2.223 ( 0.931 -4.140 4.041) 5.860 2.295 ( -0.778 3.557 -1.854) 4.086 2.562 ( -0.332 0.059 -0.071) 0.344 4.001 ( 2.422 -21.275 -1.585) 21.471 4.288 ( -0.080 13.647 -2.015) 13.795 5.004 ( -0.512 22.603 1.242) 22.643 8.226 ( -0.317 6.116 1.774) 6.376 8.705 ( -0.289 2.817 1.365) 3.143 8.742 ( 0.668 -9.514 -0.448) 9.548 8.874 ( -0.426 -7.589 -0.141) 7.602 9.171 ( 1.518 -2.528 1.378) 3.255 9.470 ( -1.007 10.727 -2.805) 11.133 ======================= Grid point 314 (151/168) ======================= q-point: (-0.27 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -1.588 -3.398 1.183) 3.933 0.641 ( 1.661 -5.553 1.667) 6.030 0.812 ( 0.795 0.388 2.908) 3.039 0.848 ( 2.419 -1.020 -4.357) 5.087 0.949 ( -0.065 -2.781 2.252) 3.579 1.003 ( 2.712 -0.490 -2.172) 3.509 1.178 ( 3.841 -2.362 -0.324) 4.521 1.234 ( -0.262 -0.684 -2.034) 2.162 1.409 ( -2.858 -0.619 0.822) 3.038 1.476 ( -3.152 -4.659 -1.595) 5.847 1.537 ( -5.298 -5.608 -3.509) 8.475 1.621 ( 4.965 -3.229 3.462) 6.860 1.623 ( 0.402 -4.156 0.560) 4.212 1.732 ( -4.152 0.568 -0.656) 4.242 1.841 ( 4.146 2.692 2.693) 5.630 1.924 ( 0.082 -1.120 -1.685) 2.024 2.020 ( -1.093 -1.323 -1.108) 2.043 2.049 ( 0.644 -2.177 0.115) 2.273 2.214 ( -0.179 2.768 0.059) 2.774 2.342 ( -0.965 -5.815 2.840) 6.543 2.581 ( 0.415 -2.181 -1.317) 2.582 3.828 ( -1.983 30.160 -0.062) 30.225 4.393 ( 5.039 -14.892 -2.648) 15.943 4.666 ( 0.565 10.792 0.743) 10.832 8.100 ( -0.041 6.844 0.932) 6.907 8.634 ( -0.954 3.583 1.608) 4.042 8.868 ( -0.738 -1.464 1.337) 2.116 8.982 ( 2.037 -3.879 -1.915) 4.782 9.261 ( 1.193 -2.934 7.152) 7.822 9.335 ( -0.402 -0.848 -7.200) 7.260 ======================= Grid point 315 (152/168) ======================= q-point: (-0.18 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 1.240 -5.651 -2.911) 6.476 0.764 ( 5.898 -1.483 2.721) 6.663 0.816 ( -0.488 -0.915 1.672) 1.968 0.902 ( 1.344 -4.854 -0.056) 5.037 0.993 ( 3.127 -1.582 -1.038) 3.655 1.048 ( 0.887 -2.626 -0.201) 2.779 1.202 ( -1.264 1.113 -4.861) 5.144 1.243 ( 2.747 -1.349 3.259) 4.470 1.389 ( -3.175 0.784 -1.552) 3.620 1.474 ( -1.834 0.997 -0.899) 2.273 1.558 ( -4.994 3.135 -1.891) 6.193 1.671 ( -0.177 -1.911 1.025) 2.175 1.695 ( -2.190 -5.913 -0.807) 6.357 1.797 ( 4.112 0.016 4.578) 6.154 1.831 ( 1.857 -2.635 1.663) 3.627 1.923 ( 0.029 -0.129 -2.135) 2.139 1.981 ( -3.869 2.792 -2.826) 5.546 2.095 ( 2.437 0.163 0.653) 2.528 2.213 ( 0.330 -2.409 0.548) 2.493 2.448 ( -2.131 -4.683 4.089) 6.572 2.636 ( 1.119 -3.067 -2.650) 4.205 3.183 ( -0.590 31.532 -0.040) 31.538 4.544 ( 0.025 2.086 0.801) 2.235 4.657 ( 4.855 -8.641 -1.687) 10.054 7.978 ( 0.267 5.406 0.226) 5.417 8.569 ( -1.036 3.000 1.952) 3.726 8.834 ( -1.687 2.864 2.295) 4.039 9.045 ( 2.737 -2.217 -2.791) 4.495 9.342 ( 0.748 -3.224 7.370) 8.079 9.400 ( 0.109 -4.892 -6.563) 8.187 ======================= Grid point 316 (153/168) ======================= q-point: (-0.09 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -0.405 1.209 3.101) 3.353 0.775 ( -0.197 -2.709 -4.351) 5.129 0.838 ( 1.407 -0.265 -2.171) 2.601 1.007 ( 0.998 -3.273 1.104) 3.596 1.068 ( 4.251 -2.933 0.116) 5.166 1.095 ( 0.644 -1.864 -0.252) 1.988 1.168 ( -0.850 0.325 -2.423) 2.588 1.282 ( -0.066 0.342 1.270) 1.317 1.367 ( 0.660 -1.998 -0.338) 2.131 1.441 ( -0.283 3.344 0.062) 3.356 1.457 ( -0.884 1.147 -0.001) 1.448 1.679 ( -1.607 1.931 -1.405) 2.879 1.753 ( 1.894 3.986 4.475) 6.285 1.798 ( -1.465 -4.647 -1.831) 5.206 1.868 ( -3.287 1.502 -1.499) 3.912 1.899 ( -1.548 0.106 0.127) 1.557 1.981 ( 2.100 -3.325 -0.832) 4.020 2.087 ( 2.058 1.645 0.553) 2.692 2.261 ( -0.176 -1.514 0.635) 1.651 2.512 ( -2.386 -1.770 4.525) 5.413 2.682 ( 1.423 -1.287 -3.127) 3.669 2.721 ( 0.138 13.000 -0.184) 13.003 4.532 ( 0.055 -0.419 0.763) 0.872 4.798 ( 2.282 -3.786 -1.264) 4.597 7.906 ( 0.229 1.999 -0.078) 2.013 8.522 ( -0.972 1.451 1.920) 2.596 8.789 ( -1.342 1.255 2.375) 3.003 9.087 ( 1.847 -1.304 -2.509) 3.378 9.388 ( -2.089 0.223 5.943) 6.303 9.483 ( 2.312 -4.198 -5.285) 7.134 ======================= Grid point 323 (154/168) ======================= q-point: (-0.45 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -3.158 -0.000 -5.090) 5.990 0.708 ( -7.090 -0.000 0.875) 7.144 0.740 ( -0.859 -0.000 2.287) 2.443 0.860 ( 4.422 0.000 -1.191) 4.580 0.900 ( -2.422 -0.000 -1.967) 3.120 1.034 ( 5.641 0.000 1.918) 5.958 1.041 ( -0.943 -0.000 3.152) 3.290 1.142 ( 1.711 0.000 3.287) 3.706 1.159 ( 0.800 0.000 -2.934) 3.041 1.188 ( -10.030 -0.000 -1.139) 10.094 1.326 ( 1.857 0.000 -0.319) 1.885 1.430 ( 8.268 0.000 1.720) 8.445 1.581 ( -4.528 -0.000 -0.917) 4.620 1.666 ( -0.443 -0.000 0.760) 0.879 1.706 ( 3.607 0.000 -0.338) 3.623 1.848 ( -0.239 -0.000 -0.231) 0.332 2.055 ( -0.943 -0.000 -0.396) 1.022 2.109 ( 0.762 0.000 -1.799) 1.954 2.139 ( 0.496 0.000 1.459) 1.541 2.440 ( 0.779 0.000 -1.578) 1.760 2.611 ( -1.270 -0.000 0.479) 1.357 3.273 ( -0.075 -0.000 -0.133) 0.153 4.522 ( -1.660 -0.000 -2.344) 2.872 5.596 ( 0.013 0.000 3.404) 3.404 8.426 ( 0.026 0.000 -0.126) 0.128 8.439 ( 0.510 0.000 3.455) 3.492 8.521 ( -0.089 -0.000 0.154) 0.178 8.799 ( -1.145 -0.000 -0.399) 1.213 9.175 ( 1.244 0.000 -0.267) 1.272 9.793 ( -0.288 -0.000 -2.169) 2.188 ======================= Grid point 324 (155/168) ======================= q-point: (-0.36 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -5.129 -1.312 -2.315) 5.778 0.614 ( -8.260 3.640 2.623) 9.400 0.775 ( -3.990 -2.063 2.877) 5.334 0.864 ( 0.775 0.877 -3.981) 4.149 0.890 ( 5.024 -0.309 -0.090) 5.034 1.045 ( 0.527 1.693 1.170) 2.125 1.101 ( 0.205 -4.102 2.270) 4.693 1.112 ( 0.077 -2.836 -0.293) 2.852 1.192 ( 2.416 -1.719 -2.012) 3.583 1.236 ( 1.037 -4.752 -0.195) 4.868 1.376 ( -1.608 -4.972 0.437) 5.244 1.524 ( -4.540 1.685 -0.695) 4.892 1.560 ( 6.867 -4.734 3.922) 9.217 1.673 ( 2.571 -0.667 -2.145) 3.414 1.760 ( 0.054 -3.608 0.580) 3.655 1.869 ( 0.058 -1.743 -0.124) 1.748 2.034 ( -2.361 0.805 -1.039) 2.702 2.071 ( -0.585 2.542 -2.169) 3.392 2.171 ( 1.785 -2.029 1.325) 3.010 2.374 ( -0.932 4.839 -1.459) 5.139 2.578 ( -0.781 1.515 1.138) 2.050 3.557 ( 2.723 -23.396 -1.748) 23.619 4.454 ( -1.825 5.559 -0.930) 5.925 5.428 ( 1.029 17.462 3.074) 17.760 8.344 ( 0.223 5.884 2.025) 6.227 8.535 ( 1.108 -9.654 -0.485) 9.730 8.686 ( 1.104 -10.816 1.424) 10.965 8.769 ( -0.682 2.464 0.851) 2.695 9.168 ( 1.214 0.744 -1.169) 1.842 9.677 ( -1.612 9.861 -1.477) 10.101 ======================= Grid point 325 (156/168) ======================= q-point: (-0.27 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -5.193 -3.607 4.415) 7.711 0.546 ( -2.692 -1.902 1.841) 3.775 0.797 ( -3.319 -2.225 0.742) 4.064 0.863 ( 4.299 0.522 -4.373) 6.154 0.915 ( 2.396 -0.682 2.372) 3.439 1.035 ( 4.287 1.185 0.458) 4.471 1.157 ( 2.869 -2.080 -6.225) 7.163 1.201 ( 3.959 -2.078 3.523) 5.693 1.283 ( -3.428 -9.229 -1.054) 9.902 1.348 ( -2.707 -5.363 0.099) 6.008 1.451 ( -6.441 -0.299 -0.607) 6.477 1.504 ( 0.787 -5.890 0.839) 6.001 1.641 ( 4.029 -0.197 1.498) 4.303 1.713 ( -0.637 -1.112 -1.153) 1.724 1.847 ( -0.361 -5.225 0.707) 5.285 1.896 ( 2.429 -0.122 0.955) 2.613 2.011 ( -2.268 -0.829 -1.698) 2.952 2.022 ( 0.076 1.555 -0.709) 1.711 2.241 ( 0.226 -3.892 -1.018) 4.030 2.279 ( -0.939 3.462 0.830) 3.682 2.561 ( -0.121 0.116 0.565) 0.590 4.029 ( 4.396 -19.331 -2.338) 19.962 4.274 ( -0.809 11.310 -1.405) 11.425 5.018 ( 1.201 22.903 2.432) 23.063 8.232 ( -0.099 6.317 1.470) 6.487 8.703 ( -1.070 3.468 0.621) 3.682 8.749 ( 1.155 -9.957 -0.777) 10.053 8.893 ( 2.911 -7.114 2.201) 7.995 9.186 ( 1.188 -3.115 -1.908) 3.842 9.451 ( -1.297 10.444 0.644) 10.544 ======================= Grid point 326 (157/168) ======================= q-point: (-0.18 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.229 -4.641 0.734) 4.704 0.691 ( 3.952 -8.713 5.143) 10.862 0.828 ( -0.511 -0.198 2.585) 2.643 0.855 ( 2.373 -0.637 -4.647) 5.256 0.972 ( 2.330 -2.565 1.860) 3.933 1.036 ( 4.833 1.108 -0.570) 4.992 1.183 ( 1.744 -0.789 -7.480) 7.721 1.257 ( 2.697 -0.645 3.007) 4.091 1.370 ( -4.773 -0.184 0.009) 4.776 1.423 ( -4.532 -3.984 -1.061) 6.126 1.470 ( -4.190 -7.278 -1.418) 8.517 1.618 ( -2.418 -2.540 -0.177) 3.511 1.658 ( -0.656 0.831 1.562) 1.887 1.720 ( 2.781 -4.521 0.433) 5.326 1.897 ( 1.577 1.510 3.223) 3.893 1.914 ( 0.866 -0.510 -2.056) 2.289 1.994 ( -1.951 1.214 -1.978) 3.032 2.062 ( 1.109 -4.196 0.743) 4.403 2.207 ( -0.414 1.606 -0.982) 1.927 2.347 ( -0.875 -5.272 2.498) 5.899 2.580 ( 0.448 -2.094 -0.923) 2.332 3.803 ( -2.585 29.067 0.240) 29.182 4.441 ( 6.107 -13.757 -3.054) 15.358 4.690 ( 2.384 10.683 1.848) 11.101 8.104 ( -0.012 6.855 0.716) 6.892 8.631 ( -1.121 3.434 1.584) 3.944 8.865 ( -0.903 -0.870 1.017) 1.615 9.005 ( 3.521 -3.272 -1.134) 4.939 9.277 ( -0.642 -5.545 -4.773) 7.345 9.335 ( 2.250 1.172 5.810) 6.339 ======================= Grid point 327 (158/168) ======================= q-point: (-0.09 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 3.197 -5.041 -2.836) 6.609 0.797 ( -2.512 2.003 2.290) 3.946 0.856 ( 7.331 -0.896 -1.877) 7.621 0.934 ( 2.716 -6.151 3.731) 7.690 1.033 ( 3.994 -2.140 0.620) 4.574 1.062 ( 1.856 -1.934 0.071) 2.681 1.165 ( -0.673 0.674 -4.767) 4.861 1.288 ( 2.181 -0.587 2.228) 3.173 1.340 ( -3.623 0.093 -1.980) 4.130 1.439 ( -3.504 -1.159 -0.583) 3.737 1.501 ( -3.640 2.372 -0.969) 4.451 1.660 ( -2.930 -6.145 0.112) 6.809 1.683 ( 0.528 -1.399 0.627) 1.621 1.854 ( 1.402 -4.054 2.231) 4.835 1.866 ( 2.117 2.852 2.806) 4.526 1.878 ( -4.589 1.952 -2.740) 5.690 1.950 ( 0.846 0.854 -2.687) 2.944 2.118 ( 1.475 -0.189 -0.054) 1.488 2.222 ( 0.851 -2.367 0.661) 2.601 2.445 ( -2.234 -4.571 3.817) 6.360 2.635 ( 1.094 -3.071 -2.459) 4.084 3.176 ( -0.579 30.717 -0.019) 30.722 4.554 ( 0.540 2.071 1.948) 2.894 4.708 ( 5.728 -6.974 -1.991) 9.242 7.982 ( 0.286 5.424 0.123) 5.433 8.567 ( -1.121 2.940 1.894) 3.673 8.826 ( -1.737 2.664 1.859) 3.684 9.065 ( 3.217 -1.672 -2.229) 4.256 9.365 ( -1.345 -4.254 -2.415) 5.073 9.397 ( 2.797 -3.153 4.177) 5.934 ======================= Grid point 335 (159/168) ======================= q-point: (-0.36 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -6.415 -0.000 -0.760) 6.459 0.618 ( -9.990 -0.000 2.308) 10.253 0.727 ( -4.729 -0.000 0.849) 4.805 0.876 ( 2.983 0.000 -3.195) 4.371 0.888 ( 1.315 0.000 -2.134) 2.507 1.017 ( -12.683 -0.000 5.717) 13.912 1.059 ( 1.316 0.000 2.870) 3.157 1.119 ( 0.872 0.000 -0.474) 0.992 1.145 ( 0.380 0.000 -2.960) 2.984 1.232 ( 10.734 0.000 -0.395) 10.741 1.369 ( 5.003 0.000 0.555) 5.034 1.515 ( -3.675 -0.000 -1.909) 4.142 1.562 ( 9.266 0.000 5.469) 10.759 1.657 ( -1.526 -0.000 0.011) 1.526 1.738 ( 2.871 0.000 -1.886) 3.435 1.844 ( -0.509 -0.000 0.076) 0.515 2.020 ( -4.513 -0.000 -1.622) 4.796 2.085 ( -1.312 -0.000 -2.484) 2.809 2.173 ( 2.973 0.000 0.815) 3.083 2.426 ( -1.491 -0.000 -2.979) 3.332 2.601 ( -1.443 -0.000 1.728) 2.252 3.272 ( -0.160 -0.000 -0.014) 0.161 4.497 ( -2.257 -0.000 1.083) 2.504 5.637 ( 4.142 0.000 3.843) 5.650 8.426 ( -0.016 -0.000 -0.114) 0.115 8.479 ( 3.841 0.000 2.724) 4.708 8.521 ( -0.110 -0.000 0.160) 0.194 8.796 ( -0.116 -0.000 2.314) 2.317 9.179 ( 0.600 0.000 -2.356) 2.431 9.767 ( -2.672 -0.000 -1.825) 3.236 ======================= Grid point 336 (160/168) ======================= q-point: (-0.27 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -5.154 -2.676 3.279) 6.669 0.534 ( -9.006 2.077 4.588) 10.318 0.723 ( -5.549 -2.249 -0.815) 6.042 0.874 ( 2.528 0.120 -3.866) 4.621 0.925 ( 2.678 -1.344 -0.904) 3.130 1.021 ( -7.414 -4.966 3.830) 9.711 1.094 ( -0.352 -2.158 -0.047) 2.187 1.132 ( 3.829 -2.769 1.083) 4.848 1.222 ( -0.392 -4.943 -1.149) 5.090 1.268 ( 9.028 1.448 -0.867) 9.185 1.397 ( 2.999 -1.216 0.627) 3.296 1.470 ( -4.064 1.062 -0.058) 4.201 1.646 ( 3.000 -1.489 2.109) 3.958 1.688 ( 2.905 -1.836 -1.390) 3.707 1.762 ( 0.953 -2.814 0.869) 3.096 1.874 ( 0.863 -2.609 -0.039) 2.748 1.980 ( -5.667 0.278 -2.355) 6.143 2.056 ( -0.446 1.704 -0.912) 1.983 2.194 ( 2.196 -0.999 -1.204) 2.696 2.345 ( -2.943 4.174 -1.402) 5.296 2.579 ( -0.491 1.253 1.864) 2.299 3.583 ( 4.163 -25.187 -3.166) 25.724 4.431 ( -2.579 5.797 1.802) 6.596 5.472 ( 3.708 19.011 3.365) 19.659 8.358 ( 0.586 6.443 1.581) 6.660 8.546 ( 1.509 -9.795 -0.981) 9.959 8.698 ( 1.165 -7.176 -1.873) 7.507 8.800 ( 3.265 -1.389 6.246) 7.183 9.164 ( 0.240 0.473 -3.841) 3.877 9.645 ( -3.589 9.120 0.432) 9.811 ======================= Grid point 337 (161/168) ======================= q-point: (-0.18 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -3.908 -3.692 5.686) 7.825 0.554 ( 1.009 -7.248 5.378) 9.082 0.761 ( -2.742 -4.224 -1.010) 5.136 0.864 ( 0.337 0.688 -5.105) 5.163 0.958 ( 3.477 -0.967 1.020) 3.750 1.087 ( 2.307 -1.200 1.718) 3.117 1.148 ( 1.121 -2.560 -4.039) 4.912 1.251 ( -1.066 -8.346 0.671) 8.441 1.274 ( 6.361 0.495 -1.007) 6.460 1.313 ( -2.238 -3.663 1.688) 4.612 1.387 ( -5.254 1.083 0.784) 5.422 1.527 ( 2.332 -5.673 0.456) 6.150 1.668 ( -1.640 0.084 0.526) 1.724 1.687 ( -0.670 0.056 -2.444) 2.535 1.857 ( 0.838 -3.399 0.768) 3.584 1.925 ( 0.941 -1.387 0.747) 1.835 1.979 ( -1.528 -3.933 -0.300) 4.230 2.016 ( -0.238 1.974 -0.843) 2.160 2.222 ( -0.459 -0.426 -3.912) 3.961 2.281 ( -0.704 -0.286 2.026) 2.164 2.565 ( -0.031 0.269 0.950) 0.988 4.071 ( 5.697 -16.086 -3.057) 17.336 4.255 ( -1.615 8.027 -0.852) 8.232 5.053 ( 2.302 23.132 2.974) 23.435 8.237 ( -0.275 6.581 1.179) 6.691 8.691 ( -1.292 2.654 0.368) 2.974 8.759 ( 1.414 -9.258 -0.719) 9.393 8.956 ( 5.614 -4.974 2.954) 8.061 9.172 ( -0.285 -3.106 -5.598) 6.408 9.453 ( -0.731 8.005 4.828) 9.377 ======================= Grid point 338 (162/168) ======================= q-point: (-0.09 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 1.458 -5.720 0.533) 5.926 0.761 ( 1.542 -7.505 4.899) 9.094 0.831 ( 0.048 -3.211 2.132) 3.854 0.857 ( 3.479 -2.786 -4.733) 6.501 1.009 ( 2.135 -2.089 1.149) 3.200 1.099 ( 5.357 2.145 1.742) 6.027 1.164 ( 2.193 0.293 -7.006) 7.347 1.300 ( 3.087 0.196 0.141) 3.097 1.315 ( -3.932 -0.346 -0.609) 3.994 1.371 ( -4.291 -2.403 0.848) 4.991 1.439 ( -1.545 -8.012 1.964) 8.392 1.570 ( -5.305 0.737 -0.112) 5.357 1.662 ( 0.360 -1.733 0.639) 1.882 1.748 ( 1.140 -5.468 -0.733) 5.634 1.876 ( -2.683 0.294 -2.668) 3.795 1.947 ( 1.445 1.279 3.059) 3.616 1.964 ( -1.156 1.544 -2.473) 3.137 2.080 ( 1.382 -4.337 0.710) 4.606 2.202 ( 0.526 -0.105 -0.774) 0.942 2.347 ( -1.136 -4.717 2.052) 5.268 2.581 ( 0.487 -1.933 -0.702) 2.113 3.777 ( -2.219 28.310 0.405) 28.400 4.491 ( 5.346 -12.803 -2.354) 14.073 4.732 ( 3.302 10.274 1.541) 10.901 8.106 ( -0.216 6.765 0.587) 6.794 8.627 ( -1.122 3.258 1.609) 3.803 8.858 ( -0.984 -0.154 0.604) 1.165 9.043 ( 4.096 -2.178 -0.900) 4.726 9.241 ( -0.886 -5.485 -4.972) 7.456 9.401 ( 2.923 0.223 7.145) 7.723 ======================= Grid point 347 (163/168) ======================= q-point: (-0.27 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -5.046 -0.000 5.192) 7.240 0.523 ( -10.043 -0.000 4.445) 10.983 0.661 ( -5.018 -0.000 -2.645) 5.672 0.864 ( -2.562 -0.000 -3.611) 4.427 0.900 ( -9.735 -0.000 6.741) 11.841 0.927 ( 2.389 0.000 0.805) 2.521 1.079 ( 0.725 0.000 -0.731) 1.029 1.137 ( 2.639 0.000 -0.621) 2.711 1.165 ( 4.289 0.000 1.472) 4.535 1.347 ( 10.795 0.000 -2.824) 11.159 1.429 ( 5.037 0.000 0.566) 5.069 1.453 ( -4.889 -0.000 -0.919) 4.975 1.634 ( -2.306 -0.000 -0.795) 2.439 1.699 ( 8.552 0.000 1.192) 8.635 1.754 ( 2.511 0.000 0.894) 2.665 1.838 ( -0.770 -0.000 0.348) 0.845 1.939 ( -7.336 -0.000 -3.392) 8.082 2.071 ( 0.292 0.000 -0.368) 0.469 2.205 ( 2.883 0.000 -0.616) 2.948 2.373 ( -4.907 -0.000 -3.633) 6.106 2.599 ( -1.000 -0.000 2.634) 2.817 3.270 ( -0.185 -0.000 0.090) 0.206 4.484 ( -2.403 -0.000 4.056) 4.714 5.724 ( 8.203 0.000 2.620) 8.611 8.425 ( -0.035 -0.000 -0.104) 0.110 8.521 ( -0.120 -0.000 0.165) 0.204 8.545 ( 6.527 0.000 -0.349) 6.536 8.828 ( 2.488 0.000 5.901) 6.404 9.158 ( -1.293 -0.000 -5.092) 5.253 9.717 ( -5.391 -0.000 0.267) 5.398 ======================= Grid point 348 (164/168) ======================= q-point: (-0.18 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -2.412 -3.787 8.604) 9.705 0.475 ( -6.376 -1.001 6.773) 9.356 0.664 ( -2.907 -3.096 -3.057) 5.232 0.850 ( -1.960 -0.596 -5.307) 5.688 0.948 ( -8.910 -7.582 5.364) 12.870 0.956 ( 2.501 -1.265 -0.532) 2.853 1.095 ( 0.523 -1.772 -0.272) 1.867 1.177 ( 3.159 -2.431 -0.680) 4.044 1.247 ( 4.523 -3.523 3.019) 6.480 1.358 ( 7.042 2.412 -3.438) 8.199 1.398 ( -1.128 1.974 1.068) 2.512 1.473 ( 3.672 -1.538 0.369) 3.998 1.641 ( -2.210 -1.536 -1.124) 2.917 1.688 ( -1.346 1.639 -3.214) 3.851 1.816 ( 3.607 -2.426 4.214) 6.054 1.888 ( 1.384 -2.643 -0.951) 3.131 1.891 ( -6.309 -2.074 -2.479) 7.088 2.055 ( 0.336 1.839 0.841) 2.050 2.206 ( 1.853 0.367 -2.961) 3.513 2.300 ( -3.930 2.100 -0.649) 4.503 2.584 ( -0.487 1.171 2.031) 2.395 3.613 ( 4.765 -27.286 -4.669) 28.090 4.416 ( -2.678 6.658 3.703) 8.075 5.538 ( 5.093 21.450 2.415) 22.179 8.370 ( 0.161 6.992 1.168) 7.091 8.557 ( 1.374 -9.885 -1.286) 10.062 8.700 ( 1.458 -3.522 -2.169) 4.386 8.896 ( 7.627 -4.550 5.915) 10.671 9.126 ( -2.561 0.212 -6.550) 7.036 9.610 ( -4.308 7.055 4.135) 9.243 ======================= Grid point 349 (165/168) ======================= q-point: (-0.09 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -2.097 -4.733 5.201) 7.339 0.615 ( 3.075 -9.301 7.447) 12.306 0.731 ( -1.270 -5.209 -1.691) 5.622 0.832 ( 0.033 -0.416 -6.127) 6.141 0.985 ( 0.582 -1.422 -0.688) 1.684 1.080 ( -4.681 -6.894 2.069) 8.586 1.143 ( 0.990 -2.077 -2.731) 3.571 1.261 ( 1.704 -4.998 1.310) 5.440 1.315 ( 1.586 0.933 -1.283) 2.244 1.336 ( 1.527 -1.407 2.501) 3.250 1.377 ( 5.171 2.539 2.560) 6.304 1.548 ( 0.241 -2.299 0.296) 2.331 1.629 ( -2.832 -0.341 -0.814) 2.966 1.668 ( -1.887 -2.063 -2.517) 3.762 1.850 ( -1.343 -0.798 -3.013) 3.394 1.908 ( -3.873 -3.488 0.255) 5.219 1.996 ( 2.985 -4.590 1.737) 5.744 2.015 ( 0.318 2.304 0.469) 2.372 2.201 ( 0.011 0.023 -2.911) 2.911 2.280 ( -0.852 -1.694 0.785) 2.052 2.569 ( -0.088 0.365 0.949) 1.021 4.120 ( 6.179 -11.391 -3.562) 13.439 4.229 ( -2.411 3.433 -0.467) 4.221 5.093 ( 2.125 23.303 2.755) 23.561 8.237 ( -0.793 6.737 1.044) 6.864 8.680 ( -1.021 1.782 0.406) 2.094 8.773 ( 1.733 -7.952 -0.190) 8.141 9.035 ( 5.657 -1.666 1.709) 6.140 9.124 ( -2.078 -4.391 -6.853) 8.400 9.485 ( 0.774 5.050 6.949) 8.625 ======================= Grid point 359 (166/168) ======================= q-point: (-0.18 -0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -0.940 -0.000 10.510) 10.552 0.452 ( -7.976 -0.000 7.133) 10.700 0.609 ( -1.397 -0.000 -2.441) 2.812 0.804 ( -3.686 -0.000 -5.382) 6.523 0.819 ( -10.184 -0.000 8.200) 13.075 0.980 ( 4.643 0.000 0.010) 4.643 1.077 ( 0.346 0.000 -1.409) 1.451 1.166 ( 2.511 0.000 -0.311) 2.530 1.236 ( 5.755 0.000 3.274) 6.621 1.389 ( -0.344 -0.000 -3.640) 3.656 1.455 ( 7.163 0.000 -1.793) 7.384 1.479 ( 3.268 0.000 0.387) 3.291 1.601 ( -2.401 -0.000 -1.580) 2.874 1.698 ( -2.158 -0.000 -5.606) 6.007 1.811 ( -6.517 -0.000 0.853) 6.573 1.831 ( -0.856 -0.000 0.498) 0.991 1.866 ( 4.466 0.000 0.229) 4.472 2.087 ( 1.816 0.000 1.729) 2.508 2.231 ( 2.790 0.000 -1.607) 3.219 2.295 ( -5.626 -0.000 -1.819) 5.913 2.604 ( -0.783 -0.000 2.814) 2.921 3.269 ( -0.142 -0.000 0.147) 0.204 4.486 ( -1.571 -0.000 5.089) 5.326 5.830 ( 9.139 0.000 -0.708) 9.166 8.424 ( -0.024 -0.000 -0.099) 0.102 8.520 ( -0.115 -0.000 0.168) 0.204 8.604 ( 5.829 0.000 -4.251) 7.214 8.906 ( 4.724 0.000 4.627) 6.612 9.096 ( -3.819 -0.000 -5.323) 6.551 9.666 ( -5.472 -0.000 5.003) 7.415 ======================= Grid point 360 (167/168) ======================= q-point: (-0.09 -0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -4.245 -1.366 9.338) 10.349 0.491 ( 0.490 -6.258 9.552) 11.430 0.639 ( 1.845 -3.327 -2.644) 4.633 0.790 ( -2.559 -1.553 -6.893) 7.515 0.880 ( -8.158 -8.283 5.523) 12.871 0.976 ( 1.299 1.068 -0.558) 1.772 1.098 ( 0.279 -1.946 -0.594) 2.054 1.201 ( 0.869 -2.603 0.066) 2.745 1.324 ( 4.942 -3.043 3.633) 6.847 1.358 ( 2.044 2.169 -2.066) 3.627 1.458 ( 7.010 1.536 -0.544) 7.196 1.515 ( 3.025 -1.657 0.255) 3.458 1.603 ( -2.924 -0.849 -1.580) 3.431 1.638 ( -4.297 1.608 -3.694) 5.890 1.789 ( -7.751 -2.863 -2.743) 8.706 1.836 ( -0.924 -0.820 0.081) 1.238 1.939 ( 4.505 -3.360 1.295) 5.767 2.074 ( 1.112 2.621 3.236) 4.310 2.202 ( 0.545 1.392 -3.715) 4.005 2.264 ( -1.862 0.264 0.018) 1.880 2.588 ( -0.568 1.210 1.894) 2.318 3.635 ( 3.809 -28.924 -5.293) 29.650 4.413 ( -1.339 7.844 3.709) 8.780 5.597 ( 3.499 23.708 1.087) 23.990 8.373 ( -0.719 7.489 1.094) 7.603 8.562 ( 0.916 -9.951 -1.337) 10.082 8.713 ( 2.688 -2.685 -1.304) 4.017 8.977 ( -0.279 -5.704 -4.103) 7.032 9.068 ( 1.278 0.666 -0.931) 1.715 9.605 ( -1.707 4.687 7.040) 8.628 ======================= Grid point 371 (168/168) ======================= q-point: (-0.09 -0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -3.779 -0.000 9.227) 9.971 0.441 ( -1.281 -0.000 10.638) 10.715 0.621 ( 5.237 0.000 0.793) 5.297 0.734 ( -3.072 -0.000 -6.701) 7.371 0.763 ( -6.658 -0.000 5.559) 8.674 1.023 ( 3.101 0.000 -0.298) 3.115 1.074 ( 0.198 0.000 -0.944) 0.964 1.168 ( -1.777 -0.000 -1.020) 2.049 1.318 ( 5.616 0.000 3.562) 6.650 1.396 ( 4.910 0.000 -2.174) 5.370 1.495 ( -1.054 -0.000 -0.391) 1.124 1.513 ( 5.004 0.000 -2.891) 5.779 1.573 ( -0.601 -0.000 -1.665) 1.770 1.623 ( -6.047 -0.000 -4.521) 7.550 1.704 ( -8.917 -0.000 -1.726) 9.082 1.825 ( -0.529 -0.000 0.466) 0.705 1.936 ( 4.454 0.000 1.794) 4.802 2.119 ( 1.466 0.000 2.739) 3.106 2.220 ( -2.202 -0.000 -2.547) 3.367 2.273 ( 2.024 0.000 -0.456) 2.074 2.612 ( -0.217 -0.000 2.690) 2.699 3.268 ( -0.044 -0.000 0.137) 0.144 4.503 ( 0.613 0.000 3.491) 3.545 5.897 ( 4.060 0.000 -2.618) 4.831 8.423 ( 0.011 0.000 -0.100) 0.101 8.520 ( -0.098 -0.000 0.168) 0.194 8.627 ( 2.426 0.000 -4.918) 5.484 8.888 ( -7.809 -0.000 -2.490) 8.197 9.095 ( 5.111 0.000 0.562) 5.142 9.663 ( -0.756 -0.000 7.019) 7.060 =================== 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 3/18150 10.0 13.238 8.656 8.425 0.000 1.705 0.000 3/18150 20.0 3.018 2.192 1.969 0.000 0.315 0.000 3/18150 30.0 1.656 1.254 1.084 0.000 0.175 0.000 3/18150 40.0 1.150 0.889 0.754 0.000 0.127 0.000 3/18150 50.0 0.882 0.692 0.580 0.000 0.101 0.000 3/18150 60.0 0.717 0.568 0.473 0.000 0.084 0.000 3/18150 70.0 0.605 0.484 0.400 0.000 0.072 0.000 3/18150 80.0 0.524 0.423 0.347 0.000 0.063 0.000 3/18150 90.0 0.462 0.376 0.307 0.000 0.056 0.000 3/18150 100.0 0.414 0.340 0.275 0.000 0.051 0.000 3/18150 110.0 0.376 0.311 0.250 0.000 0.046 0.000 3/18150 120.0 0.344 0.287 0.229 0.000 0.043 0.000 3/18150 130.0 0.317 0.266 0.212 0.000 0.039 0.000 3/18150 140.0 0.295 0.249 0.197 0.000 0.037 0.000 3/18150 150.0 0.275 0.234 0.184 0.000 0.035 0.000 3/18150 160.0 0.258 0.221 0.173 0.000 0.032 0.000 3/18150 170.0 0.243 0.209 0.163 0.000 0.031 0.000 3/18150 180.0 0.230 0.198 0.154 0.000 0.029 0.000 3/18150 190.0 0.218 0.189 0.147 0.000 0.028 0.000 3/18150 200.0 0.207 0.180 0.140 0.000 0.026 0.000 3/18150 210.0 0.197 0.173 0.133 0.000 0.025 0.000 3/18150 220.0 0.189 0.165 0.127 0.000 0.024 0.000 3/18150 230.0 0.180 0.159 0.122 0.000 0.023 0.000 3/18150 240.0 0.173 0.153 0.117 0.000 0.022 0.000 3/18150 250.0 0.166 0.147 0.113 0.000 0.021 0.000 3/18150 260.0 0.160 0.142 0.108 0.000 0.021 0.000 3/18150 270.0 0.154 0.137 0.105 0.000 0.020 0.000 3/18150 280.0 0.149 0.133 0.101 0.000 0.019 0.000 3/18150 290.0 0.144 0.129 0.098 0.000 0.019 0.000 3/18150 300.0 0.139 0.125 0.094 0.000 0.018 0.000 3/18150 310.0 0.135 0.121 0.091 0.000 0.017 0.000 3/18150 320.0 0.131 0.117 0.089 0.000 0.017 0.000 3/18150 330.0 0.127 0.114 0.086 0.000 0.016 0.000 3/18150 340.0 0.123 0.111 0.084 0.000 0.016 0.000 3/18150 350.0 0.120 0.108 0.081 0.000 0.015 0.000 3/18150 360.0 0.116 0.105 0.079 0.000 0.015 0.000 3/18150 370.0 0.113 0.103 0.077 0.000 0.015 0.000 3/18150 380.0 0.110 0.100 0.075 0.000 0.014 0.000 3/18150 390.0 0.107 0.098 0.073 0.000 0.014 0.000 3/18150 400.0 0.105 0.095 0.071 0.000 0.014 0.000 3/18150 410.0 0.102 0.093 0.070 0.000 0.013 0.000 3/18150 420.0 0.100 0.091 0.068 0.000 0.013 0.000 3/18150 430.0 0.098 0.089 0.067 0.000 0.013 0.000 3/18150 440.0 0.095 0.087 0.065 0.000 0.012 0.000 3/18150 450.0 0.093 0.085 0.064 0.000 0.012 0.000 3/18150 460.0 0.091 0.084 0.062 0.000 0.012 0.000 3/18150 470.0 0.089 0.082 0.061 0.000 0.012 0.000 3/18150 480.0 0.088 0.080 0.060 0.000 0.011 0.000 3/18150 490.0 0.086 0.079 0.059 0.000 0.011 0.000 3/18150 500.0 0.084 0.077 0.058 0.000 0.011 0.000 3/18150 510.0 0.083 0.076 0.056 0.000 0.011 0.000 3/18150 520.0 0.081 0.074 0.055 0.000 0.011 0.000 3/18150 530.0 0.079 0.073 0.054 0.000 0.010 0.000 3/18150 540.0 0.078 0.072 0.053 0.000 0.010 0.000 3/18150 550.0 0.077 0.071 0.052 0.000 0.010 0.000 3/18150 560.0 0.075 0.069 0.052 0.000 0.010 0.000 3/18150 570.0 0.074 0.068 0.051 0.000 0.010 0.000 3/18150 580.0 0.073 0.067 0.050 0.000 0.009 0.000 3/18150 590.0 0.072 0.066 0.049 0.000 0.009 0.000 3/18150 600.0 0.070 0.065 0.048 0.000 0.009 0.000 3/18150 610.0 0.069 0.064 0.047 0.000 0.009 0.000 3/18150 620.0 0.068 0.063 0.047 0.000 0.009 0.000 3/18150 630.0 0.067 0.062 0.046 0.000 0.009 0.000 3/18150 640.0 0.066 0.061 0.045 0.000 0.009 0.000 3/18150 650.0 0.065 0.060 0.045 0.000 0.008 0.000 3/18150 660.0 0.064 0.059 0.044 0.000 0.008 0.000 3/18150 670.0 0.063 0.058 0.043 0.000 0.008 0.000 3/18150 680.0 0.062 0.058 0.043 0.000 0.008 0.000 3/18150 690.0 0.061 0.057 0.042 0.000 0.008 0.000 3/18150 700.0 0.060 0.056 0.041 0.000 0.008 0.000 3/18150 710.0 0.060 0.055 0.041 0.000 0.008 0.000 3/18150 720.0 0.059 0.055 0.040 0.000 0.008 0.000 3/18150 730.0 0.058 0.054 0.040 0.000 0.008 0.000 3/18150 740.0 0.057 0.053 0.039 0.000 0.007 0.000 3/18150 750.0 0.056 0.052 0.039 0.000 0.007 0.000 3/18150 760.0 0.056 0.052 0.038 0.000 0.007 0.000 3/18150 770.0 0.055 0.051 0.038 0.000 0.007 0.000 3/18150 780.0 0.054 0.050 0.037 0.000 0.007 0.000 3/18150 790.0 0.054 0.050 0.037 0.000 0.007 0.000 3/18150 800.0 0.053 0.049 0.036 0.000 0.007 0.000 3/18150 810.0 0.052 0.049 0.036 0.000 0.007 0.000 3/18150 820.0 0.052 0.048 0.035 0.000 0.007 0.000 3/18150 830.0 0.051 0.048 0.035 0.000 0.007 0.000 3/18150 840.0 0.050 0.047 0.035 0.000 0.007 0.000 3/18150 850.0 0.050 0.046 0.034 0.000 0.006 0.000 3/18150 860.0 0.049 0.046 0.034 0.000 0.006 0.000 3/18150 870.0 0.049 0.045 0.033 0.000 0.006 0.000 3/18150 880.0 0.048 0.045 0.033 0.000 0.006 0.000 3/18150 890.0 0.048 0.044 0.033 0.000 0.006 0.000 3/18150 900.0 0.047 0.044 0.032 0.000 0.006 0.000 3/18150 910.0 0.047 0.043 0.032 0.000 0.006 0.000 3/18150 920.0 0.046 0.043 0.032 0.000 0.006 0.000 3/18150 930.0 0.046 0.043 0.031 0.000 0.006 0.000 3/18150 940.0 0.045 0.042 0.031 0.000 0.006 0.000 3/18150 950.0 0.045 0.042 0.031 0.000 0.006 0.000 3/18150 960.0 0.044 0.041 0.030 0.000 0.006 0.000 3/18150 970.0 0.044 0.041 0.030 0.000 0.006 0.000 3/18150 980.0 0.043 0.040 0.030 0.000 0.006 0.000 3/18150 990.0 0.043 0.040 0.029 0.000 0.006 0.000 3/18150 1000.0 0.042 0.040 0.029 0.000 0.006 0.000 3/18150 Thermal conductivity related properties were written into "kappa-m11115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:15:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|