----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:15:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.329400874750279 0.000000000000000 0.000000000000000 b 0.000000000000000 6.968326680000000 0.000000000000000 c -2.716258108326298 0.000000000000000 6.221414608671942 Atomic positions (fractional): *1 O 0.17188549695573 0.39443948849633 0.43970194281038 15.999 2 O 0.82811450304427 0.89443948849633 0.06029805718962 15.999 3 O 0.82811450304427 0.60556051150367 0.56029805718962 15.999 4 O 0.17188549695573 0.10556051150367 0.93970194281038 15.999 *5 Cl 0.71538371803842 0.37159182866744 0.95256865872397 35.453 6 Cl 0.28461628196159 0.87159182866744 0.54743134127603 35.453 7 Cl 0.71538371803842 0.12840817133256 0.45256865872397 35.453 8 Cl 0.28461628196159 0.62840817133256 0.04743134127603 35.453 *9 Hg 0.07841066443471 0.13317112242015 0.24239634397446 200.590 10 Hg 0.92158933556529 0.63317112242015 0.25760365602554 200.590 11 Hg 0.92158933556529 0.86682887757985 0.75760365602554 200.590 12 Hg 0.07841066443471 0.36682887757985 0.74239634397446 200.590 *13 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 14 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.329400874750279 0.000000000000000 0.000000000000000 b 0.000000000000000 6.968326680000000 0.000000000000000 c -2.716258108326298 0.000000000000000 6.221414608671942 Atomic positions (fractional): *1 O 0.17188549695573 0.39443948849633 0.43970194281038 15.999 > 1 2 O 0.82811450304427 0.89443948849633 0.06029805718962 15.999 > 2 3 O 0.82811450304427 0.60556051150367 0.56029805718962 15.999 > 3 4 O 0.17188549695573 0.10556051150367 0.93970194281038 15.999 > 4 *5 Cl 0.71538371803842 0.37159182866744 0.95256865872397 35.453 > 5 6 Cl 0.28461628196159 0.87159182866744 0.54743134127603 35.453 > 6 7 Cl 0.71538371803842 0.12840817133256 0.45256865872397 35.453 > 7 8 Cl 0.28461628196159 0.62840817133256 0.04743134127603 35.453 > 8 *9 Hg 0.07841066443471 0.13317112242015 0.24239634397446 200.590 > 9 10 Hg 0.92158933556529 0.63317112242015 0.25760365602554 200.590 > 10 11 Hg 0.92158933556529 0.86682887757985 0.75760365602554 200.590 > 11 12 Hg 0.07841066443471 0.36682887757985 0.74239634397446 200.590 > 12 *13 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 > 13 14 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.658801749500558 0.000000000000000 0.000000000000000 b 0.000000000000000 13.936653359999999 0.000000000000000 c -5.432516216652596 0.000000000000000 12.442829217343885 Atomic positions (fractional): *1 O 0.08594274847786 0.19721974424817 0.21985097140519 15.999 > 1 2 O 0.58594274847786 0.19721974424817 0.21985097140519 15.999 > 1 3 O 0.08594274847786 0.69721974424817 0.21985097140519 15.999 > 1 4 O 0.58594274847786 0.69721974424817 0.21985097140519 15.999 > 1 5 O 0.08594274847786 0.19721974424817 0.71985097140519 15.999 > 1 6 O 0.58594274847786 0.19721974424817 0.71985097140519 15.999 > 1 7 O 0.08594274847786 0.69721974424817 0.71985097140519 15.999 > 1 8 O 0.58594274847786 0.69721974424817 0.71985097140519 15.999 > 1 9 O 0.41405725152214 0.44721974424817 0.03014902859481 15.999 > 2 10 O 0.91405725152214 0.44721974424817 0.03014902859481 15.999 > 2 11 O 0.41405725152214 0.94721974424817 0.03014902859481 15.999 > 2 12 O 0.91405725152214 0.94721974424817 0.03014902859481 15.999 > 2 13 O 0.41405725152214 0.44721974424817 0.53014902859481 15.999 > 2 14 O 0.91405725152214 0.44721974424817 0.53014902859481 15.999 > 2 15 O 0.41405725152214 0.94721974424817 0.53014902859481 15.999 > 2 16 O 0.91405725152214 0.94721974424817 0.53014902859481 15.999 > 2 17 O 0.41405725152214 0.30278025575183 0.28014902859481 15.999 > 3 18 O 0.91405725152214 0.30278025575183 0.28014902859481 15.999 > 3 19 O 0.41405725152214 0.80278025575183 0.28014902859481 15.999 > 3 20 O 0.91405725152214 0.80278025575183 0.28014902859481 15.999 > 3 21 O 0.41405725152214 0.30278025575183 0.78014902859481 15.999 > 3 22 O 0.91405725152214 0.30278025575183 0.78014902859481 15.999 > 3 23 O 0.41405725152214 0.80278025575183 0.78014902859481 15.999 > 3 24 O 0.91405725152214 0.80278025575183 0.78014902859481 15.999 > 3 25 O 0.08594274847786 0.05278025575183 0.46985097140519 15.999 > 4 26 O 0.58594274847786 0.05278025575183 0.46985097140519 15.999 > 4 27 O 0.08594274847786 0.55278025575183 0.46985097140519 15.999 > 4 28 O 0.58594274847786 0.55278025575183 0.46985097140519 15.999 > 4 29 O 0.08594274847786 0.05278025575183 0.96985097140519 15.999 > 4 30 O 0.58594274847786 0.05278025575183 0.96985097140519 15.999 > 4 31 O 0.08594274847786 0.55278025575183 0.96985097140519 15.999 > 4 32 O 0.58594274847786 0.55278025575183 0.96985097140519 15.999 > 4 *33 Cl 0.35769185901921 0.18579591433372 0.47628432936199 35.453 > 5 34 Cl 0.85769185901921 0.18579591433372 0.47628432936199 35.453 > 5 35 Cl 0.35769185901921 0.68579591433372 0.47628432936199 35.453 > 5 36 Cl 0.85769185901921 0.68579591433372 0.47628432936199 35.453 > 5 37 Cl 0.35769185901921 0.18579591433372 0.97628432936198 35.453 > 5 38 Cl 0.85769185901921 0.18579591433372 0.97628432936198 35.453 > 5 39 Cl 0.35769185901921 0.68579591433372 0.97628432936198 35.453 > 5 40 Cl 0.85769185901921 0.68579591433372 0.97628432936198 35.453 > 5 41 Cl 0.14230814098079 0.43579591433372 0.27371567063801 35.453 > 6 42 Cl 0.64230814098079 0.43579591433372 0.27371567063801 35.453 > 6 43 Cl 0.14230814098079 0.93579591433372 0.27371567063801 35.453 > 6 44 Cl 0.64230814098079 0.93579591433372 0.27371567063801 35.453 > 6 45 Cl 0.14230814098079 0.43579591433372 0.77371567063802 35.453 > 6 46 Cl 0.64230814098079 0.43579591433372 0.77371567063802 35.453 > 6 47 Cl 0.14230814098079 0.93579591433372 0.77371567063802 35.453 > 6 48 Cl 0.64230814098079 0.93579591433372 0.77371567063802 35.453 > 6 49 Cl 0.35769185901921 0.06420408566628 0.22628432936199 35.453 > 7 50 Cl 0.85769185901921 0.06420408566628 0.22628432936199 35.453 > 7 51 Cl 0.35769185901921 0.56420408566628 0.22628432936199 35.453 > 7 52 Cl 0.85769185901921 0.56420408566628 0.22628432936199 35.453 > 7 53 Cl 0.35769185901921 0.06420408566628 0.72628432936198 35.453 > 7 54 Cl 0.85769185901921 0.06420408566628 0.72628432936198 35.453 > 7 55 Cl 0.35769185901921 0.56420408566628 0.72628432936198 35.453 > 7 56 Cl 0.85769185901921 0.56420408566628 0.72628432936198 35.453 > 7 57 Cl 0.14230814098079 0.31420408566628 0.02371567063801 35.453 > 8 58 Cl 0.64230814098079 0.31420408566628 0.02371567063801 35.453 > 8 59 Cl 0.14230814098079 0.81420408566628 0.02371567063801 35.453 > 8 60 Cl 0.64230814098079 0.81420408566628 0.02371567063801 35.453 > 8 61 Cl 0.14230814098079 0.31420408566628 0.52371567063802 35.453 > 8 62 Cl 0.64230814098079 0.31420408566628 0.52371567063802 35.453 > 8 63 Cl 0.14230814098079 0.81420408566628 0.52371567063802 35.453 > 8 64 Cl 0.64230814098079 0.81420408566628 0.52371567063802 35.453 > 8 *65 Hg 0.03920533221736 0.06658556121008 0.12119817198723 200.590 > 9 66 Hg 0.53920533221736 0.06658556121008 0.12119817198723 200.590 > 9 67 Hg 0.03920533221736 0.56658556121008 0.12119817198723 200.590 > 9 68 Hg 0.53920533221736 0.56658556121008 0.12119817198723 200.590 > 9 69 Hg 0.03920533221736 0.06658556121008 0.62119817198723 200.590 > 9 70 Hg 0.53920533221736 0.06658556121008 0.62119817198723 200.590 > 9 71 Hg 0.03920533221736 0.56658556121008 0.62119817198723 200.590 > 9 72 Hg 0.53920533221736 0.56658556121008 0.62119817198723 200.590 > 9 73 Hg 0.46079466778264 0.31658556121008 0.12880182801277 200.590 > 10 74 Hg 0.96079466778264 0.31658556121008 0.12880182801277 200.590 > 10 75 Hg 0.46079466778264 0.81658556121008 0.12880182801277 200.590 > 10 76 Hg 0.96079466778264 0.81658556121008 0.12880182801277 200.590 > 10 77 Hg 0.46079466778264 0.31658556121008 0.62880182801277 200.590 > 10 78 Hg 0.96079466778264 0.31658556121008 0.62880182801277 200.590 > 10 79 Hg 0.46079466778264 0.81658556121008 0.62880182801277 200.590 > 10 80 Hg 0.96079466778264 0.81658556121008 0.62880182801277 200.590 > 10 81 Hg 0.46079466778264 0.43341443878992 0.37880182801277 200.590 > 11 82 Hg 0.96079466778264 0.43341443878992 0.37880182801277 200.590 > 11 83 Hg 0.46079466778264 0.93341443878992 0.37880182801277 200.590 > 11 84 Hg 0.96079466778264 0.93341443878992 0.37880182801277 200.590 > 11 85 Hg 0.46079466778264 0.43341443878992 0.87880182801277 200.590 > 11 86 Hg 0.96079466778264 0.43341443878992 0.87880182801277 200.590 > 11 87 Hg 0.46079466778264 0.93341443878992 0.87880182801277 200.590 > 11 88 Hg 0.96079466778264 0.93341443878992 0.87880182801277 200.590 > 11 89 Hg 0.03920533221736 0.18341443878992 0.37119817198723 200.590 > 12 90 Hg 0.53920533221736 0.18341443878992 0.37119817198723 200.590 > 12 91 Hg 0.03920533221736 0.68341443878992 0.37119817198723 200.590 > 12 92 Hg 0.53920533221736 0.68341443878992 0.37119817198723 200.590 > 12 93 Hg 0.03920533221736 0.18341443878992 0.87119817198723 200.590 > 12 94 Hg 0.53920533221736 0.18341443878992 0.87119817198723 200.590 > 12 95 Hg 0.03920533221736 0.68341443878992 0.87119817198723 200.590 > 12 96 Hg 0.53920533221736 0.68341443878992 0.87119817198723 200.590 > 12 *97 Hg 0.25000000000000 0.25000000000000 0.25000000000000 200.590 > 13 98 Hg 0.75000000000000 0.25000000000000 0.25000000000000 200.590 > 13 99 Hg 0.25000000000000 0.75000000000000 0.25000000000000 200.590 > 13 100 Hg 0.75000000000000 0.75000000000000 0.25000000000000 200.590 > 13 101 Hg 0.25000000000000 0.25000000000000 0.75000000000000 200.590 > 13 102 Hg 0.75000000000000 0.25000000000000 0.75000000000000 200.590 > 13 103 Hg 0.25000000000000 0.75000000000000 0.75000000000000 200.590 > 13 104 Hg 0.75000000000000 0.75000000000000 0.75000000000000 200.590 > 13 105 Hg 0.25000000000000 0.00000000000000 0.00000000000000 200.590 > 14 106 Hg 0.75000000000000 0.00000000000000 0.00000000000000 200.590 > 14 107 Hg 0.25000000000000 0.50000000000000 0.00000000000000 200.590 > 14 108 Hg 0.75000000000000 0.50000000000000 0.00000000000000 200.590 > 14 109 Hg 0.25000000000000 0.00000000000000 0.50000000000000 200.590 > 14 110 Hg 0.75000000000000 0.00000000000000 0.50000000000000 200.590 > 14 111 Hg 0.25000000000000 0.50000000000000 0.50000000000000 200.590 > 14 112 Hg 0.75000000000000 0.50000000000000 0.50000000000000 200.590 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5979089 0.0000000 -0.0583315 0.0000000 6.7358967 0.0000000 -0.0583306 0.0000000 6.4933571 -------------------------- Born effective charges -------------------------- 1 O -2.3966005 -0.0792062 0.0365838 -0.2685949 -2.0849604 -0.1654314 0.1039519 -0.1769823 -1.8434567 2 O -2.3966005 0.0792062 0.0365838 0.2685949 -2.0849604 0.1654314 0.1039519 0.1769823 -1.8434567 3 O -2.3966005 -0.0792062 0.0365838 -0.2685949 -2.0849604 -0.1654314 0.1039519 -0.1769823 -1.8434567 4 O -2.3966005 0.0792062 0.0365838 0.2685949 -2.0849604 0.1654314 0.1039519 0.1769823 -1.8434567 5 Cl -1.2406601 -0.2614178 -0.2349619 -0.1319273 -1.7043617 -0.1249042 -0.2031274 0.0364803 -1.7707141 6 Cl -1.2406601 0.2614178 -0.2349619 0.1319273 -1.7043617 0.1249042 -0.2031274 -0.0364803 -1.7707141 7 Cl -1.2406601 0.2614178 -0.2349619 0.1319273 -1.7043617 0.1249042 -0.2031274 -0.0364803 -1.7707141 8 Cl -1.2406601 -0.2614178 -0.2349619 -0.1319273 -1.7043617 -0.1249042 -0.2031274 0.0364803 -1.7707141 9 Hg 2.1618354 0.0889394 -0.1421111 -0.0035996 2.8619694 0.1403437 -0.1795800 0.1845400 2.7289328 10 Hg 2.1618354 -0.0889394 -0.1421111 0.0035996 2.8619694 -0.1403437 -0.1795800 -0.1845400 2.7289328 11 Hg 2.1618354 0.0889394 -0.1421111 -0.0035996 2.8619694 0.1403437 -0.1795800 0.1845400 2.7289328 12 Hg 2.1618354 -0.0889394 -0.1421111 0.0035996 2.8619694 -0.1403437 -0.1795800 -0.1845400 2.7289328 13 Hg 2.9508501 0.2983143 0.6809783 0.3821167 1.8547054 -0.1363098 0.5575110 -0.3008452 1.7704758 14 Hg 2.9508501 -0.2983143 0.6809783 -0.3821167 1.8547054 0.1363098 0.5575110 0.3008452 1.7704758 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1866 Number of blocks in projector: 1866 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1866, 1831), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (396, 389), data: True |-- (396, 388), data: True |-- (396, 388), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.022 Solver_block: 200 / 480 - Time: 3.066 Solver_block: 300 / 480 - Time: 3.054 Solver_block: 400 / 480 - Time: 3.061 Solver_block: 480 / 480 - Time: 2.474 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.734 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1866 Number of blocks in projector: 1866 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1866, 1831), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (396, 389), data: True |-- (396, 388), data: True |-- (396, 388), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:16:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:16:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.329400874750279 0.000000000000000 0.000000000000000 b 0.000000000000000 6.968326680000000 0.000000000000000 c -2.716258108326298 0.000000000000000 6.221414608671942 Atomic positions (fractional): 1 O 0.17188549695573 0.39443948849633 0.43970194281038 15.999 2 O 0.82811450304427 0.89443948849633 0.06029805718962 15.999 3 O 0.82811450304427 0.60556051150367 0.56029805718962 15.999 4 O 0.17188549695573 0.10556051150367 0.93970194281038 15.999 5 Cl 0.71538371803842 0.37159182866744 0.95256865872397 35.453 6 Cl 0.28461628196159 0.87159182866744 0.54743134127603 35.453 7 Cl 0.71538371803842 0.12840817133256 0.45256865872397 35.453 8 Cl 0.28461628196159 0.62840817133256 0.04743134127603 35.453 9 Hg 0.07841066443471 0.13317112242015 0.24239634397446 200.590 10 Hg 0.92158933556529 0.63317112242015 0.25760365602554 200.590 11 Hg 0.92158933556529 0.86682887757985 0.75760365602554 200.590 12 Hg 0.07841066443471 0.36682887757985 0.74239634397446 200.590 13 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 14 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.658801749500558 0.000000000000000 0.000000000000000 b 0.000000000000000 13.936653359999999 0.000000000000000 c -5.432516216652596 0.000000000000000 12.442829217343885 Atomic positions (fractional): 1 O 0.08594274847786 0.19721974424817 0.21985097140519 15.999 > 1 2 O 0.58594274847786 0.19721974424817 0.21985097140519 15.999 > 1 3 O 0.08594274847786 0.69721974424817 0.21985097140519 15.999 > 1 4 O 0.58594274847786 0.69721974424817 0.21985097140519 15.999 > 1 5 O 0.08594274847786 0.19721974424817 0.71985097140519 15.999 > 1 6 O 0.58594274847786 0.19721974424817 0.71985097140519 15.999 > 1 7 O 0.08594274847786 0.69721974424817 0.71985097140519 15.999 > 1 8 O 0.58594274847786 0.69721974424817 0.71985097140519 15.999 > 1 9 O 0.41405725152214 0.44721974424817 0.03014902859481 15.999 > 9 10 O 0.91405725152214 0.44721974424817 0.03014902859481 15.999 > 9 11 O 0.41405725152214 0.94721974424817 0.03014902859481 15.999 > 9 12 O 0.91405725152214 0.94721974424817 0.03014902859481 15.999 > 9 13 O 0.41405725152214 0.44721974424817 0.53014902859481 15.999 > 9 14 O 0.91405725152214 0.44721974424817 0.53014902859481 15.999 > 9 15 O 0.41405725152214 0.94721974424817 0.53014902859481 15.999 > 9 16 O 0.91405725152214 0.94721974424817 0.53014902859481 15.999 > 9 17 O 0.41405725152214 0.30278025575183 0.28014902859481 15.999 > 17 18 O 0.91405725152214 0.30278025575183 0.28014902859481 15.999 > 17 19 O 0.41405725152214 0.80278025575183 0.28014902859481 15.999 > 17 20 O 0.91405725152214 0.80278025575183 0.28014902859481 15.999 > 17 21 O 0.41405725152214 0.30278025575183 0.78014902859481 15.999 > 17 22 O 0.91405725152214 0.30278025575183 0.78014902859481 15.999 > 17 23 O 0.41405725152214 0.80278025575183 0.78014902859481 15.999 > 17 24 O 0.91405725152214 0.80278025575183 0.78014902859481 15.999 > 17 25 O 0.08594274847786 0.05278025575183 0.46985097140519 15.999 > 25 26 O 0.58594274847786 0.05278025575183 0.46985097140519 15.999 > 25 27 O 0.08594274847786 0.55278025575183 0.46985097140519 15.999 > 25 28 O 0.58594274847786 0.55278025575183 0.46985097140519 15.999 > 25 29 O 0.08594274847786 0.05278025575183 0.96985097140519 15.999 > 25 30 O 0.58594274847786 0.05278025575183 0.96985097140519 15.999 > 25 31 O 0.08594274847786 0.55278025575183 0.96985097140519 15.999 > 25 32 O 0.58594274847786 0.55278025575183 0.96985097140519 15.999 > 25 33 Cl 0.35769185901921 0.18579591433372 0.47628432936199 35.453 > 33 34 Cl 0.85769185901921 0.18579591433372 0.47628432936199 35.453 > 33 35 Cl 0.35769185901921 0.68579591433372 0.47628432936199 35.453 > 33 36 Cl 0.85769185901921 0.68579591433372 0.47628432936199 35.453 > 33 37 Cl 0.35769185901921 0.18579591433372 0.97628432936198 35.453 > 33 38 Cl 0.85769185901921 0.18579591433372 0.97628432936198 35.453 > 33 39 Cl 0.35769185901921 0.68579591433372 0.97628432936198 35.453 > 33 40 Cl 0.85769185901921 0.68579591433372 0.97628432936198 35.453 > 33 41 Cl 0.14230814098079 0.43579591433372 0.27371567063801 35.453 > 41 42 Cl 0.64230814098079 0.43579591433372 0.27371567063801 35.453 > 41 43 Cl 0.14230814098079 0.93579591433372 0.27371567063801 35.453 > 41 44 Cl 0.64230814098079 0.93579591433372 0.27371567063801 35.453 > 41 45 Cl 0.14230814098079 0.43579591433372 0.77371567063802 35.453 > 41 46 Cl 0.64230814098079 0.43579591433372 0.77371567063802 35.453 > 41 47 Cl 0.14230814098079 0.93579591433372 0.77371567063802 35.453 > 41 48 Cl 0.64230814098079 0.93579591433372 0.77371567063802 35.453 > 41 49 Cl 0.35769185901921 0.06420408566628 0.22628432936199 35.453 > 49 50 Cl 0.85769185901921 0.06420408566628 0.22628432936199 35.453 > 49 51 Cl 0.35769185901921 0.56420408566628 0.22628432936199 35.453 > 49 52 Cl 0.85769185901921 0.56420408566628 0.22628432936199 35.453 > 49 53 Cl 0.35769185901921 0.06420408566628 0.72628432936198 35.453 > 49 54 Cl 0.85769185901921 0.06420408566628 0.72628432936198 35.453 > 49 55 Cl 0.35769185901921 0.56420408566628 0.72628432936198 35.453 > 49 56 Cl 0.85769185901921 0.56420408566628 0.72628432936198 35.453 > 49 57 Cl 0.14230814098079 0.31420408566628 0.02371567063801 35.453 > 57 58 Cl 0.64230814098079 0.31420408566628 0.02371567063801 35.453 > 57 59 Cl 0.14230814098079 0.81420408566628 0.02371567063801 35.453 > 57 60 Cl 0.64230814098079 0.81420408566628 0.02371567063801 35.453 > 57 61 Cl 0.14230814098079 0.31420408566628 0.52371567063802 35.453 > 57 62 Cl 0.64230814098079 0.31420408566628 0.52371567063802 35.453 > 57 63 Cl 0.14230814098079 0.81420408566628 0.52371567063802 35.453 > 57 64 Cl 0.64230814098079 0.81420408566628 0.52371567063802 35.453 > 57 65 Hg 0.03920533221736 0.06658556121008 0.12119817198723 200.590 > 65 66 Hg 0.53920533221736 0.06658556121008 0.12119817198723 200.590 > 65 67 Hg 0.03920533221736 0.56658556121008 0.12119817198723 200.590 > 65 68 Hg 0.53920533221736 0.56658556121008 0.12119817198723 200.590 > 65 69 Hg 0.03920533221736 0.06658556121008 0.62119817198723 200.590 > 65 70 Hg 0.53920533221736 0.06658556121008 0.62119817198723 200.590 > 65 71 Hg 0.03920533221736 0.56658556121008 0.62119817198723 200.590 > 65 72 Hg 0.53920533221736 0.56658556121008 0.62119817198723 200.590 > 65 73 Hg 0.46079466778264 0.31658556121008 0.12880182801277 200.590 > 73 74 Hg 0.96079466778264 0.31658556121008 0.12880182801277 200.590 > 73 75 Hg 0.46079466778264 0.81658556121008 0.12880182801277 200.590 > 73 76 Hg 0.96079466778264 0.81658556121008 0.12880182801277 200.590 > 73 77 Hg 0.46079466778264 0.31658556121008 0.62880182801277 200.590 > 73 78 Hg 0.96079466778264 0.31658556121008 0.62880182801277 200.590 > 73 79 Hg 0.46079466778264 0.81658556121008 0.62880182801277 200.590 > 73 80 Hg 0.96079466778264 0.81658556121008 0.62880182801277 200.590 > 73 81 Hg 0.46079466778264 0.43341443878992 0.37880182801277 200.590 > 81 82 Hg 0.96079466778264 0.43341443878992 0.37880182801277 200.590 > 81 83 Hg 0.46079466778264 0.93341443878992 0.37880182801277 200.590 > 81 84 Hg 0.96079466778264 0.93341443878992 0.37880182801277 200.590 > 81 85 Hg 0.46079466778264 0.43341443878992 0.87880182801277 200.590 > 81 86 Hg 0.96079466778264 0.43341443878992 0.87880182801277 200.590 > 81 87 Hg 0.46079466778264 0.93341443878992 0.87880182801277 200.590 > 81 88 Hg 0.96079466778264 0.93341443878992 0.87880182801277 200.590 > 81 89 Hg 0.03920533221736 0.18341443878992 0.37119817198723 200.590 > 89 90 Hg 0.53920533221736 0.18341443878992 0.37119817198723 200.590 > 89 91 Hg 0.03920533221736 0.68341443878992 0.37119817198723 200.590 > 89 92 Hg 0.53920533221736 0.68341443878992 0.37119817198723 200.590 > 89 93 Hg 0.03920533221736 0.18341443878992 0.87119817198723 200.590 > 89 94 Hg 0.53920533221736 0.18341443878992 0.87119817198723 200.590 > 89 95 Hg 0.03920533221736 0.68341443878992 0.87119817198723 200.590 > 89 96 Hg 0.53920533221736 0.68341443878992 0.87119817198723 200.590 > 89 97 Hg 0.25000000000000 0.25000000000000 0.25000000000000 200.590 > 97 98 Hg 0.75000000000000 0.25000000000000 0.25000000000000 200.590 > 97 99 Hg 0.25000000000000 0.75000000000000 0.25000000000000 200.590 > 97 100 Hg 0.75000000000000 0.75000000000000 0.25000000000000 200.590 > 97 101 Hg 0.25000000000000 0.25000000000000 0.75000000000000 200.590 > 97 102 Hg 0.75000000000000 0.25000000000000 0.75000000000000 200.590 > 97 103 Hg 0.25000000000000 0.75000000000000 0.75000000000000 200.590 > 97 104 Hg 0.75000000000000 0.75000000000000 0.75000000000000 200.590 > 97 105 Hg 0.25000000000000 0.00000000000000 0.00000000000000 200.590 > 105 106 Hg 0.75000000000000 0.00000000000000 0.00000000000000 200.590 > 105 107 Hg 0.25000000000000 0.50000000000000 0.00000000000000 200.590 > 105 108 Hg 0.75000000000000 0.50000000000000 0.00000000000000 200.590 > 105 109 Hg 0.25000000000000 0.00000000000000 0.50000000000000 200.590 > 105 110 Hg 0.75000000000000 0.00000000000000 0.50000000000000 200.590 > 105 111 Hg 0.25000000000000 0.50000000000000 0.50000000000000 200.590 > 105 112 Hg 0.75000000000000 0.50000000000000 0.50000000000000 200.590 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5979089 0.0000000 -0.0583315 0.0000000 6.7358967 0.0000000 -0.0583306 0.0000000 6.4933571 -------------------------- Born effective charges -------------------------- 1 O -2.3966005 -0.0792062 0.0365838 -0.2685949 -2.0849604 -0.1654314 0.1039519 -0.1769823 -1.8434567 2 O -2.3966005 0.0792062 0.0365838 0.2685949 -2.0849604 0.1654314 0.1039519 0.1769823 -1.8434567 3 O -2.3966005 -0.0792062 0.0365838 -0.2685949 -2.0849604 -0.1654314 0.1039519 -0.1769823 -1.8434567 4 O -2.3966005 0.0792062 0.0365838 0.2685949 -2.0849604 0.1654314 0.1039519 0.1769823 -1.8434567 5 Cl -1.2406601 -0.2614178 -0.2349619 -0.1319273 -1.7043617 -0.1249042 -0.2031274 0.0364803 -1.7707141 6 Cl -1.2406601 0.2614178 -0.2349619 0.1319273 -1.7043617 0.1249042 -0.2031274 -0.0364803 -1.7707141 7 Cl -1.2406601 0.2614178 -0.2349619 0.1319273 -1.7043617 0.1249042 -0.2031274 -0.0364803 -1.7707141 8 Cl -1.2406601 -0.2614178 -0.2349619 -0.1319273 -1.7043617 -0.1249042 -0.2031274 0.0364803 -1.7707141 9 Hg 2.1618354 0.0889394 -0.1421111 -0.0035996 2.8619694 0.1403437 -0.1795800 0.1845400 2.7289328 10 Hg 2.1618354 -0.0889394 -0.1421111 0.0035996 2.8619694 -0.1403437 -0.1795800 -0.1845400 2.7289328 11 Hg 2.1618354 0.0889394 -0.1421111 -0.0035996 2.8619694 0.1403437 -0.1795800 0.1845400 2.7289328 12 Hg 2.1618354 -0.0889394 -0.1421111 0.0035996 2.8619694 -0.1403437 -0.1795800 -0.1845400 2.7289328 13 Hg 2.9508501 0.2983143 0.6809783 0.3821167 1.8547054 -0.1363098 0.5575110 -0.3008452 1.7704758 14 Hg 2.9508501 -0.2983143 0.6809783 -0.3821167 1.8547054 0.1363098 0.5575110 0.3008452 1.7704758 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 33, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 65, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 97, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000007 (zzz) -0.00000007 (zzz) -0.00000007 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) 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 05:16:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:16:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.329400874750279 0.000000000000000 0.000000000000000 b 0.000000000000000 6.968326680000000 0.000000000000000 c -2.716258108326298 0.000000000000000 6.221414608671942 Atomic positions (fractional): 1 O 0.17188549695573 0.39443948849633 0.43970194281038 15.999 2 O 0.82811450304427 0.89443948849633 0.06029805718962 15.999 3 O 0.82811450304427 0.60556051150367 0.56029805718962 15.999 4 O 0.17188549695573 0.10556051150367 0.93970194281038 15.999 5 Cl 0.71538371803842 0.37159182866744 0.95256865872397 35.453 6 Cl 0.28461628196159 0.87159182866744 0.54743134127603 35.453 7 Cl 0.71538371803842 0.12840817133256 0.45256865872397 35.453 8 Cl 0.28461628196159 0.62840817133256 0.04743134127603 35.453 9 Hg 0.07841066443471 0.13317112242015 0.24239634397446 200.590 10 Hg 0.92158933556529 0.63317112242015 0.25760365602554 200.590 11 Hg 0.92158933556529 0.86682887757985 0.75760365602554 200.590 12 Hg 0.07841066443471 0.36682887757985 0.74239634397446 200.590 13 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 14 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.658801749500558 0.000000000000000 0.000000000000000 b 0.000000000000000 13.936653359999999 0.000000000000000 c -5.432516216652596 0.000000000000000 12.442829217343885 Atomic positions (fractional): 1 O 0.08594274847786 0.19721974424817 0.21985097140519 15.999 > 1 2 O 0.58594274847786 0.19721974424817 0.21985097140519 15.999 > 1 3 O 0.08594274847786 0.69721974424817 0.21985097140519 15.999 > 1 4 O 0.58594274847786 0.69721974424817 0.21985097140519 15.999 > 1 5 O 0.08594274847786 0.19721974424817 0.71985097140519 15.999 > 1 6 O 0.58594274847786 0.19721974424817 0.71985097140519 15.999 > 1 7 O 0.08594274847786 0.69721974424817 0.71985097140519 15.999 > 1 8 O 0.58594274847786 0.69721974424817 0.71985097140519 15.999 > 1 9 O 0.41405725152214 0.44721974424817 0.03014902859481 15.999 > 9 10 O 0.91405725152214 0.44721974424817 0.03014902859481 15.999 > 9 11 O 0.41405725152214 0.94721974424817 0.03014902859481 15.999 > 9 12 O 0.91405725152214 0.94721974424817 0.03014902859481 15.999 > 9 13 O 0.41405725152214 0.44721974424817 0.53014902859481 15.999 > 9 14 O 0.91405725152214 0.44721974424817 0.53014902859481 15.999 > 9 15 O 0.41405725152214 0.94721974424817 0.53014902859481 15.999 > 9 16 O 0.91405725152214 0.94721974424817 0.53014902859481 15.999 > 9 17 O 0.41405725152214 0.30278025575183 0.28014902859481 15.999 > 17 18 O 0.91405725152214 0.30278025575183 0.28014902859481 15.999 > 17 19 O 0.41405725152214 0.80278025575183 0.28014902859481 15.999 > 17 20 O 0.91405725152214 0.80278025575183 0.28014902859481 15.999 > 17 21 O 0.41405725152214 0.30278025575183 0.78014902859481 15.999 > 17 22 O 0.91405725152214 0.30278025575183 0.78014902859481 15.999 > 17 23 O 0.41405725152214 0.80278025575183 0.78014902859481 15.999 > 17 24 O 0.91405725152214 0.80278025575183 0.78014902859481 15.999 > 17 25 O 0.08594274847786 0.05278025575183 0.46985097140519 15.999 > 25 26 O 0.58594274847786 0.05278025575183 0.46985097140519 15.999 > 25 27 O 0.08594274847786 0.55278025575183 0.46985097140519 15.999 > 25 28 O 0.58594274847786 0.55278025575183 0.46985097140519 15.999 > 25 29 O 0.08594274847786 0.05278025575183 0.96985097140519 15.999 > 25 30 O 0.58594274847786 0.05278025575183 0.96985097140519 15.999 > 25 31 O 0.08594274847786 0.55278025575183 0.96985097140519 15.999 > 25 32 O 0.58594274847786 0.55278025575183 0.96985097140519 15.999 > 25 33 Cl 0.35769185901921 0.18579591433372 0.47628432936199 35.453 > 33 34 Cl 0.85769185901921 0.18579591433372 0.47628432936199 35.453 > 33 35 Cl 0.35769185901921 0.68579591433372 0.47628432936199 35.453 > 33 36 Cl 0.85769185901921 0.68579591433372 0.47628432936199 35.453 > 33 37 Cl 0.35769185901921 0.18579591433372 0.97628432936198 35.453 > 33 38 Cl 0.85769185901921 0.18579591433372 0.97628432936198 35.453 > 33 39 Cl 0.35769185901921 0.68579591433372 0.97628432936198 35.453 > 33 40 Cl 0.85769185901921 0.68579591433372 0.97628432936198 35.453 > 33 41 Cl 0.14230814098079 0.43579591433372 0.27371567063801 35.453 > 41 42 Cl 0.64230814098079 0.43579591433372 0.27371567063801 35.453 > 41 43 Cl 0.14230814098079 0.93579591433372 0.27371567063801 35.453 > 41 44 Cl 0.64230814098079 0.93579591433372 0.27371567063801 35.453 > 41 45 Cl 0.14230814098079 0.43579591433372 0.77371567063802 35.453 > 41 46 Cl 0.64230814098079 0.43579591433372 0.77371567063802 35.453 > 41 47 Cl 0.14230814098079 0.93579591433372 0.77371567063802 35.453 > 41 48 Cl 0.64230814098079 0.93579591433372 0.77371567063802 35.453 > 41 49 Cl 0.35769185901921 0.06420408566628 0.22628432936199 35.453 > 49 50 Cl 0.85769185901921 0.06420408566628 0.22628432936199 35.453 > 49 51 Cl 0.35769185901921 0.56420408566628 0.22628432936199 35.453 > 49 52 Cl 0.85769185901921 0.56420408566628 0.22628432936199 35.453 > 49 53 Cl 0.35769185901921 0.06420408566628 0.72628432936198 35.453 > 49 54 Cl 0.85769185901921 0.06420408566628 0.72628432936198 35.453 > 49 55 Cl 0.35769185901921 0.56420408566628 0.72628432936198 35.453 > 49 56 Cl 0.85769185901921 0.56420408566628 0.72628432936198 35.453 > 49 57 Cl 0.14230814098079 0.31420408566628 0.02371567063801 35.453 > 57 58 Cl 0.64230814098079 0.31420408566628 0.02371567063801 35.453 > 57 59 Cl 0.14230814098079 0.81420408566628 0.02371567063801 35.453 > 57 60 Cl 0.64230814098079 0.81420408566628 0.02371567063801 35.453 > 57 61 Cl 0.14230814098079 0.31420408566628 0.52371567063802 35.453 > 57 62 Cl 0.64230814098079 0.31420408566628 0.52371567063802 35.453 > 57 63 Cl 0.14230814098079 0.81420408566628 0.52371567063802 35.453 > 57 64 Cl 0.64230814098079 0.81420408566628 0.52371567063802 35.453 > 57 65 Hg 0.03920533221736 0.06658556121008 0.12119817198723 200.590 > 65 66 Hg 0.53920533221736 0.06658556121008 0.12119817198723 200.590 > 65 67 Hg 0.03920533221736 0.56658556121008 0.12119817198723 200.590 > 65 68 Hg 0.53920533221736 0.56658556121008 0.12119817198723 200.590 > 65 69 Hg 0.03920533221736 0.06658556121008 0.62119817198723 200.590 > 65 70 Hg 0.53920533221736 0.06658556121008 0.62119817198723 200.590 > 65 71 Hg 0.03920533221736 0.56658556121008 0.62119817198723 200.590 > 65 72 Hg 0.53920533221736 0.56658556121008 0.62119817198723 200.590 > 65 73 Hg 0.46079466778264 0.31658556121008 0.12880182801277 200.590 > 73 74 Hg 0.96079466778264 0.31658556121008 0.12880182801277 200.590 > 73 75 Hg 0.46079466778264 0.81658556121008 0.12880182801277 200.590 > 73 76 Hg 0.96079466778264 0.81658556121008 0.12880182801277 200.590 > 73 77 Hg 0.46079466778264 0.31658556121008 0.62880182801277 200.590 > 73 78 Hg 0.96079466778264 0.31658556121008 0.62880182801277 200.590 > 73 79 Hg 0.46079466778264 0.81658556121008 0.62880182801277 200.590 > 73 80 Hg 0.96079466778264 0.81658556121008 0.62880182801277 200.590 > 73 81 Hg 0.46079466778264 0.43341443878992 0.37880182801277 200.590 > 81 82 Hg 0.96079466778264 0.43341443878992 0.37880182801277 200.590 > 81 83 Hg 0.46079466778264 0.93341443878992 0.37880182801277 200.590 > 81 84 Hg 0.96079466778264 0.93341443878992 0.37880182801277 200.590 > 81 85 Hg 0.46079466778264 0.43341443878992 0.87880182801277 200.590 > 81 86 Hg 0.96079466778264 0.43341443878992 0.87880182801277 200.590 > 81 87 Hg 0.46079466778264 0.93341443878992 0.87880182801277 200.590 > 81 88 Hg 0.96079466778264 0.93341443878992 0.87880182801277 200.590 > 81 89 Hg 0.03920533221736 0.18341443878992 0.37119817198723 200.590 > 89 90 Hg 0.53920533221736 0.18341443878992 0.37119817198723 200.590 > 89 91 Hg 0.03920533221736 0.68341443878992 0.37119817198723 200.590 > 89 92 Hg 0.53920533221736 0.68341443878992 0.37119817198723 200.590 > 89 93 Hg 0.03920533221736 0.18341443878992 0.87119817198723 200.590 > 89 94 Hg 0.53920533221736 0.18341443878992 0.87119817198723 200.590 > 89 95 Hg 0.03920533221736 0.68341443878992 0.87119817198723 200.590 > 89 96 Hg 0.53920533221736 0.68341443878992 0.87119817198723 200.590 > 89 97 Hg 0.25000000000000 0.25000000000000 0.25000000000000 200.590 > 97 98 Hg 0.75000000000000 0.25000000000000 0.25000000000000 200.590 > 97 99 Hg 0.25000000000000 0.75000000000000 0.25000000000000 200.590 > 97 100 Hg 0.75000000000000 0.75000000000000 0.25000000000000 200.590 > 97 101 Hg 0.25000000000000 0.25000000000000 0.75000000000000 200.590 > 97 102 Hg 0.75000000000000 0.25000000000000 0.75000000000000 200.590 > 97 103 Hg 0.25000000000000 0.75000000000000 0.75000000000000 200.590 > 97 104 Hg 0.75000000000000 0.75000000000000 0.75000000000000 200.590 > 97 105 Hg 0.25000000000000 0.00000000000000 0.00000000000000 200.590 > 105 106 Hg 0.75000000000000 0.00000000000000 0.00000000000000 200.590 > 105 107 Hg 0.25000000000000 0.50000000000000 0.00000000000000 200.590 > 105 108 Hg 0.75000000000000 0.50000000000000 0.00000000000000 200.590 > 105 109 Hg 0.25000000000000 0.00000000000000 0.50000000000000 200.590 > 105 110 Hg 0.75000000000000 0.00000000000000 0.50000000000000 200.590 > 105 111 Hg 0.25000000000000 0.50000000000000 0.50000000000000 200.590 > 105 112 Hg 0.75000000000000 0.50000000000000 0.50000000000000 200.590 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5979089 0.0000000 -0.0583315 0.0000000 6.7358967 0.0000000 -0.0583306 0.0000000 6.4933571 -------------------------- Born effective charges -------------------------- 1 O -2.3966005 -0.0792062 0.0365838 -0.2685949 -2.0849604 -0.1654314 0.1039519 -0.1769823 -1.8434567 2 O -2.3966005 0.0792062 0.0365838 0.2685949 -2.0849604 0.1654314 0.1039519 0.1769823 -1.8434567 3 O -2.3966005 -0.0792062 0.0365838 -0.2685949 -2.0849604 -0.1654314 0.1039519 -0.1769823 -1.8434567 4 O -2.3966005 0.0792062 0.0365838 0.2685949 -2.0849604 0.1654314 0.1039519 0.1769823 -1.8434567 5 Cl -1.2406601 -0.2614178 -0.2349619 -0.1319273 -1.7043617 -0.1249042 -0.2031274 0.0364803 -1.7707141 6 Cl -1.2406601 0.2614178 -0.2349619 0.1319273 -1.7043617 0.1249042 -0.2031274 -0.0364803 -1.7707141 7 Cl -1.2406601 0.2614178 -0.2349619 0.1319273 -1.7043617 0.1249042 -0.2031274 -0.0364803 -1.7707141 8 Cl -1.2406601 -0.2614178 -0.2349619 -0.1319273 -1.7043617 -0.1249042 -0.2031274 0.0364803 -1.7707141 9 Hg 2.1618354 0.0889394 -0.1421111 -0.0035996 2.8619694 0.1403437 -0.1795800 0.1845400 2.7289328 10 Hg 2.1618354 -0.0889394 -0.1421111 0.0035996 2.8619694 -0.1403437 -0.1795800 -0.1845400 2.7289328 11 Hg 2.1618354 0.0889394 -0.1421111 -0.0035996 2.8619694 0.1403437 -0.1795800 0.1845400 2.7289328 12 Hg 2.1618354 -0.0889394 -0.1421111 0.0035996 2.8619694 -0.1403437 -0.1795800 -0.1845400 2.7289328 13 Hg 2.9508501 0.2983143 0.6809783 0.3821167 1.8547054 -0.1363098 0.5575110 -0.3008452 1.7704758 14 Hg 2.9508501 -0.2983143 0.6809783 -0.3821167 1.8547054 0.1363098 0.5575110 0.3008452 1.7704758 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (zzz) -0.00000007 (zzz) -0.00000007 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 8 ] 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: 0.64, Number of G-points: 293, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/148) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 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 0.795 ( 0.000 0.000 0.000) 0.000 1.037 ( 0.000 0.000 0.000) 0.000 1.158 ( 0.000 0.000 0.000) 0.000 1.246 ( 0.000 0.000 0.000) 0.000 1.249 ( 0.000 0.000 0.000) 0.000 1.506 ( 0.000 0.000 0.000) 0.000 1.697 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.086 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 7.736 ( 0.000 0.000 0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 9.861 ( 0.000 0.000 0.000) 0.000 10.128 ( 0.000 0.000 0.000) 0.000 10.303 ( 0.000 0.000 0.000) 0.000 11.825 ( 0.000 0.000 0.000) 0.000 11.847 ( 0.000 0.000 0.000) 0.000 12.561 ( 0.000 0.000 0.000) 0.000 13.957 ( 0.000 0.000 0.000) 0.000 14.224 ( 0.000 0.000 0.000) 0.000 15.301 ( 0.000 0.000 0.000) 0.000 15.883 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/148) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( 12.823 0.000 1.665) 12.931 0.254 ( 10.630 0.000 8.245) 13.453 0.548 ( 24.827 0.000 7.602) 25.964 0.890 ( 6.404 0.000 -2.233) 6.782 1.084 ( 4.293 0.000 -1.026) 4.414 1.129 ( -2.940 0.000 0.013) 2.940 1.237 ( -1.141 0.000 2.044) 2.341 1.347 ( 8.062 0.000 5.757) 9.907 1.508 ( 1.202 0.000 -2.021) 2.351 1.905 ( 5.051 0.000 -15.127) 15.948 1.999 ( -1.794 0.000 -2.058) 2.731 2.114 ( 0.179 0.000 4.284) 4.288 2.241 ( -10.417 0.000 -4.012) 11.162 2.337 ( -1.338 0.000 -0.635) 1.481 2.350 ( 2.780 0.000 -0.655) 2.856 2.456 ( 3.563 0.000 1.309) 3.796 2.833 ( 5.493 0.000 3.085) 6.300 2.883 ( -0.042 0.000 -0.414) 0.416 3.226 ( 10.909 0.000 -26.123) 28.309 3.292 ( -6.430 0.000 -1.775) 6.671 3.348 ( -0.286 0.000 -0.549) 0.619 3.618 ( -5.741 0.000 -5.497) 7.948 3.652 ( 7.457 0.000 8.424) 11.250 4.011 ( 0.829 0.000 4.019) 4.103 4.156 ( -4.491 0.000 -3.495) 5.690 4.220 ( 8.283 0.000 4.829) 9.588 4.545 ( -1.821 0.000 1.208) 2.185 4.597 ( 2.056 0.000 3.644) 4.184 4.940 ( 2.044 0.000 2.983) 3.616 5.310 ( -24.136 0.000 52.030) 57.356 7.808 ( 7.348 0.000 1.554) 7.510 8.919 ( 5.031 0.000 0.177) 5.034 9.876 ( 1.463 0.000 -33.213) 33.245 10.230 ( -13.032 0.000 9.491) 16.121 10.267 ( -4.140 0.000 0.073) 4.140 11.620 ( -14.825 0.000 5.412) 15.782 12.030 ( 12.164 0.000 -4.727) 13.050 12.637 ( 7.230 0.000 1.460) 7.376 14.051 ( 7.838 0.000 5.628) 9.649 14.144 ( -6.803 0.000 -2.947) 7.414 15.405 ( 9.048 0.000 3.577) 9.729 16.662 ( -1.583 0.000 -10.233) 10.354 ======================= Grid point 2 (3/148) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 12.414 0.000 2.546) 12.672 0.495 ( 9.914 0.000 7.084) 12.185 0.820 ( 4.133 0.000 -2.310) 4.735 0.996 ( -0.723 0.000 -1.941) 2.071 1.098 ( -2.071 0.000 -0.853) 2.239 1.230 ( 18.353 0.000 7.860) 19.965 1.273 ( 2.615 0.000 1.273) 2.908 1.527 ( 3.856 0.000 -3.527) 5.226 1.529 ( 5.356 0.000 1.544) 5.574 1.929 ( 6.535 0.000 1.259) 6.656 1.943 ( -2.552 0.000 -1.942) 3.207 2.020 ( -10.619 0.000 -3.000) 11.034 2.174 ( 3.395 0.000 3.697) 5.020 2.314 ( -1.083 0.000 0.124) 1.090 2.416 ( 5.214 0.000 -0.403) 5.230 2.528 ( 2.705 0.000 2.032) 3.383 2.877 ( -2.036 0.000 -5.016) 5.414 2.879 ( -0.959 0.000 1.770) 2.013 3.198 ( -1.721 0.000 2.738) 3.233 3.215 ( 4.964 0.000 -13.252) 14.151 3.329 ( -1.612 0.000 -0.543) 1.701 3.461 ( -6.440 0.000 -5.765) 8.643 3.850 ( 3.966 0.000 4.125) 5.722 4.033 ( -4.758 0.000 1.243) 4.918 4.047 ( -0.598 0.000 3.966) 4.011 4.436 ( 9.992 0.000 7.092) 12.253 4.531 ( -0.904 0.000 3.939) 4.041 4.679 ( 3.226 0.000 4.687) 5.690 5.015 ( 2.823 0.000 4.698) 5.480 5.269 ( -12.149 0.000 20.026) 23.423 8.007 ( 12.708 0.000 3.383) 13.151 9.048 ( 9.286 0.000 0.328) 9.292 9.559 ( -11.123 0.000 -23.493) 25.993 10.050 ( -14.345 0.000 7.069) 15.993 10.162 ( -7.889 0.000 0.190) 7.892 11.409 ( -13.139 0.000 4.226) 13.802 12.188 ( 9.271 0.000 -3.379) 9.868 12.799 ( 8.904 0.000 1.820) 9.088 13.982 ( -7.995 0.000 -3.332) 8.661 14.295 ( 12.414 0.000 9.585) 15.684 15.624 ( 11.169 0.000 4.306) 11.970 16.511 ( -6.905 0.000 -8.958) 11.311 ======================= Grid point 3 (4/148) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 4.319 0.000 3.202) 5.376 0.708 ( 11.389 0.000 3.292) 11.855 0.816 ( 2.054 0.000 -2.861) 3.522 0.964 ( -0.983 0.000 0.839) 1.292 1.040 ( -3.260 0.000 -0.114) 3.262 1.276 ( -2.412 0.000 -2.296) 3.330 1.484 ( -2.090 0.000 -2.371) 3.160 1.593 ( 6.108 0.000 -3.542) 7.061 1.657 ( 14.952 0.000 6.382) 16.257 1.834 ( -6.824 0.000 -2.790) 7.372 1.905 ( -2.494 0.000 2.568) 3.580 2.087 ( 3.402 0.000 4.545) 5.677 2.303 ( -0.063 0.000 0.229) 0.238 2.352 ( 15.565 0.000 4.400) 16.175 2.524 ( 6.416 0.000 0.826) 6.469 2.559 ( -2.668 0.000 2.752) 3.833 2.730 ( -4.516 0.000 -8.999) 10.068 2.886 ( -0.553 0.000 4.509) 4.543 3.190 ( 1.861 0.000 -9.652) 9.830 3.262 ( 4.151 0.000 3.046) 5.149 3.276 ( -4.604 0.000 0.372) 4.619 3.324 ( -4.750 0.000 -3.245) 5.752 3.722 ( -9.605 0.000 -8.147) 12.595 4.049 ( -1.865 0.000 2.715) 3.294 4.081 ( 0.117 0.000 5.396) 5.397 4.622 ( 5.815 0.000 9.491) 11.131 4.641 ( 6.723 0.000 6.029) 9.030 4.769 ( 3.430 0.000 3.135) 4.647 5.100 ( 2.490 0.000 4.611) 5.240 5.185 ( -9.167 0.000 6.437) 11.201 8.282 ( 13.866 0.000 5.453) 14.900 9.191 ( -11.465 0.000 -17.249) 20.712 9.240 ( 11.864 0.000 0.389) 11.871 9.843 ( -13.510 0.000 3.863) 14.051 9.998 ( -10.622 0.000 0.193) 10.624 11.237 ( -9.043 0.000 2.512) 9.386 12.301 ( 5.882 0.000 -1.967) 6.203 12.953 ( 6.683 0.000 1.358) 6.819 13.834 ( -5.926 0.000 -2.315) 6.363 14.598 ( 12.278 0.000 10.244) 15.990 15.830 ( 8.435 0.000 3.182) 9.016 16.300 ( -8.584 0.000 -8.568) 12.128 ======================= Grid point 4 (5/148) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -1.619 0.000 -1.195) 2.012 0.910 ( 4.563 0.000 1.222) 4.724 0.912 ( 8.266 0.000 2.736) 8.707 0.962 ( -0.171 0.000 0.582) 0.607 0.995 ( -2.016 0.000 0.360) 2.048 1.175 ( -4.946 0.000 -3.287) 5.939 1.397 ( -3.334 0.000 -1.557) 3.679 1.663 ( 4.239 0.000 -2.072) 4.718 1.728 ( -4.130 0.000 -0.236) 4.136 1.903 ( 6.923 0.000 3.553) 7.781 1.904 ( -0.317 0.000 1.992) 2.017 2.111 ( -0.878 0.000 -0.185) 0.898 2.332 ( 3.461 0.000 0.731) 3.537 2.445 ( -7.928 0.000 -1.527) 8.073 2.615 ( 3.220 0.000 0.030) 3.220 2.670 ( 0.620 0.000 -2.143) 2.231 2.696 ( 14.483 0.000 3.979) 15.020 2.949 ( 2.741 0.000 7.328) 7.824 3.127 ( -1.179 0.000 -7.181) 7.277 3.153 ( -9.334 0.000 -0.761) 9.365 3.246 ( -1.514 0.000 -1.589) 2.195 3.346 ( 2.151 0.000 1.552) 2.653 3.522 ( -4.880 0.000 -4.875) 6.898 4.033 ( -1.157 0.000 0.959) 1.503 4.084 ( -1.176 0.000 1.052) 1.578 4.747 ( 1.773 0.000 2.293) 2.899 4.836 ( 1.882 0.000 0.960) 2.113 4.837 ( 9.040 0.000 8.763) 12.590 5.041 ( -8.915 0.000 -2.582) 9.282 5.160 ( 1.077 0.000 2.041) 2.308 8.531 ( 7.607 0.000 5.401) 9.329 8.933 ( -5.096 0.000 -9.464) 10.748 9.445 ( 9.499 0.000 0.242) 9.502 9.671 ( -6.799 0.000 1.348) 6.931 9.813 ( -9.011 0.000 0.016) 9.011 11.140 ( -3.215 0.000 0.808) 3.315 12.362 ( 2.040 0.000 -0.642) 2.139 13.042 ( 2.454 0.000 0.492) 2.503 13.749 ( -2.184 0.000 -0.809) 2.329 14.832 ( 5.826 0.000 5.088) 7.735 15.951 ( 3.096 0.000 1.154) 3.304 16.121 ( -4.568 0.000 -4.312) 6.282 ======================= Grid point 9 (6/148) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.229 ( 0.000 11.316 0.000) 11.316 0.280 ( 0.000 13.307 0.000) 13.307 0.655 ( 0.000 30.635 0.000) 30.635 1.014 ( 0.000 10.609 0.000) 10.609 1.040 ( 0.000 -0.138 0.000) 0.138 1.123 ( 0.000 -3.394 0.000) 3.394 1.314 ( 0.000 4.747 0.000) 4.747 1.315 ( 0.000 9.292 0.000) 9.292 1.480 ( 0.000 -2.908 0.000) 2.908 1.719 ( 0.000 2.026 0.000) 2.026 2.017 ( 0.000 -1.310 0.000) 1.310 2.063 ( 0.000 -1.512 0.000) 1.512 2.246 ( 0.000 -4.597 0.000) 4.597 2.330 ( 0.000 -5.077 0.000) 5.077 2.330 ( 0.000 -2.867 0.000) 2.867 2.482 ( 0.000 4.021 0.000) 4.021 2.767 ( 0.000 -3.452 0.000) 3.452 3.003 ( 0.000 16.481 0.000) 16.481 3.234 ( 0.000 13.228 0.000) 13.228 3.358 ( 0.000 0.626 0.000) 0.626 3.450 ( 0.000 6.876 0.000) 6.876 3.616 ( 0.000 6.793 0.000) 6.793 3.674 ( 0.000 -2.413 0.000) 2.413 3.972 ( 0.000 -9.534 0.000) 9.534 4.230 ( 0.000 0.156 0.000) 0.156 4.386 ( 0.000 -3.903 0.000) 3.903 4.580 ( 0.000 1.371 0.000) 1.371 4.608 ( 0.000 3.790 0.000) 3.790 4.892 ( 0.000 -1.556 0.000) 1.556 5.275 ( 0.000 -2.844 0.000) 2.844 7.788 ( 0.000 4.889 0.000) 4.889 8.763 ( 0.000 -9.215 0.000) 9.215 10.041 ( 0.000 15.991 0.000) 15.991 10.155 ( 0.000 2.659 0.000) 2.659 10.501 ( 0.000 -1.058 0.000) 1.058 11.852 ( 0.000 2.712 0.000) 2.712 12.202 ( 0.000 -10.664 0.000) 10.664 12.543 ( 0.000 -2.356 0.000) 2.356 13.986 ( 0.000 2.665 0.000) 2.665 14.225 ( 0.000 0.069 0.000) 0.069 15.707 ( 0.000 0.897 0.000) 0.897 15.875 ( 0.000 -0.839 0.000) 0.839 ======================= Grid point 10 (7/148) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 7.348 8.210 6.775) 12.934 0.392 ( 9.820 9.678 2.655) 14.041 0.804 ( 12.656 20.932 3.169) 24.665 1.030 ( 0.052 3.726 -3.545) 5.143 1.076 ( 4.344 0.858 -0.793) 4.498 1.113 ( 0.646 0.616 3.566) 3.676 1.273 ( -0.921 4.716 -0.826) 4.875 1.427 ( 6.127 5.421 2.755) 8.632 1.483 ( 0.576 -1.158 -0.567) 1.412 1.783 ( 5.335 -4.118 -2.699) 7.260 2.002 ( -0.905 -0.072 -1.725) 1.950 2.087 ( 0.957 -1.865 3.174) 3.804 2.262 ( 1.825 -1.193 -1.625) 2.719 2.295 ( -1.375 -3.900 0.158) 4.138 2.356 ( -2.877 2.445 -1.133) 3.942 2.437 ( 1.698 -0.902 0.778) 2.074 2.780 ( 1.946 -4.360 -1.322) 4.954 3.030 ( -1.545 10.934 2.899) 11.417 3.271 ( 4.821 10.507 -4.889) 12.552 3.371 ( 0.081 2.216 0.047) 2.218 3.378 ( -5.287 7.886 -0.666) 9.517 3.666 ( -2.957 0.002 0.155) 2.961 3.707 ( 6.067 5.488 8.074) 11.494 4.020 ( 1.951 -7.793 1.371) 8.149 4.222 ( -1.756 4.518 -3.879) 6.208 4.288 ( -0.843 4.033 -4.808) 6.332 4.550 ( 1.324 0.021 -0.858) 1.578 4.611 ( -1.395 2.966 4.166) 5.301 4.910 ( 1.779 -2.444 2.027) 3.639 5.257 ( -13.288 -3.882 26.554) 29.946 7.855 ( 6.996 4.492 1.259) 8.409 8.806 ( 5.521 -9.941 -3.021) 11.766 9.945 ( -6.680 11.326 -8.921) 15.890 10.133 ( -5.174 0.871 4.556) 6.949 10.428 ( -6.874 3.270 -2.543) 8.026 11.704 ( -19.418 1.137 4.878) 20.053 12.120 ( 6.140 3.014 -9.477) 11.688 12.600 ( 7.151 -3.163 0.389) 7.829 14.074 ( 7.313 2.300 5.206) 9.267 14.207 ( -3.734 3.470 -2.631) 5.737 15.497 ( 0.891 6.698 0.527) 6.778 16.299 ( 13.594 -19.504 0.779) 23.787 ======================= Grid point 11 (8/148) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 8.335 4.977 5.847) 11.332 0.601 ( 11.089 9.388 2.384) 14.724 0.949 ( -3.267 0.298 -3.815) 5.031 0.988 ( 3.491 8.512 2.782) 9.612 1.111 ( -1.314 1.503 -1.132) 2.295 1.274 ( 6.758 2.818 3.157) 7.974 1.321 ( 11.721 4.904 3.139) 13.088 1.480 ( -0.273 -1.841 -1.777) 2.573 1.519 ( 3.434 -1.626 -0.539) 3.837 1.860 ( 3.128 -3.696 0.564) 4.874 1.984 ( 1.547 2.280 0.063) 2.756 2.107 ( -2.383 0.656 -0.691) 2.567 2.207 ( -2.732 7.923 3.065) 8.924 2.305 ( 1.574 -2.982 -1.029) 3.525 2.367 ( 4.468 -2.416 0.535) 5.107 2.504 ( 3.064 -2.432 1.326) 4.130 2.810 ( 2.598 -3.629 -1.811) 4.817 2.974 ( -5.196 5.127 -0.780) 7.341 3.234 ( -4.573 7.623 -2.023) 9.117 3.320 ( 1.814 5.208 -3.897) 6.753 3.399 ( -0.017 7.805 3.003) 8.362 3.556 ( -5.513 7.217 -5.513) 10.624 3.871 ( 1.926 2.742 2.263) 4.044 4.005 ( -1.851 -1.997 3.714) 4.605 4.138 ( -1.348 6.384 -0.084) 6.525 4.417 ( 8.916 -1.975 5.813) 10.825 4.578 ( 0.678 3.411 3.315) 4.805 4.655 ( 2.186 -1.232 5.326) 5.887 4.977 ( 2.552 -3.394 4.589) 6.253 5.216 ( -10.115 -4.478 16.099) 19.534 8.042 ( 12.052 3.355 2.871) 12.835 8.889 ( 6.664 -12.014 -5.288) 14.721 9.713 ( -9.627 12.615 -9.754) 18.627 10.030 ( -10.451 0.579 4.649) 11.453 10.254 ( -10.482 5.727 -1.076) 11.992 11.412 ( -15.846 -1.266 3.314) 16.238 12.218 ( 8.659 2.460 -4.671) 10.142 12.757 ( 8.957 -3.800 1.142) 9.797 14.070 ( -7.182 7.348 -3.068) 10.724 14.308 ( 11.707 1.231 8.789) 14.691 15.635 ( 9.631 1.216 3.494) 10.317 16.355 ( -1.755 -12.410 -5.614) 13.733 ======================= Grid point 12 (9/148) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 4.508 2.308 3.044) 5.908 0.771 ( 5.684 5.321 -1.036) 7.855 0.920 ( 4.173 5.170 2.844) 7.227 1.041 ( 1.689 9.707 0.733) 9.880 1.057 ( -3.083 2.424 -0.528) 3.957 1.309 ( -1.334 2.919 -0.165) 3.214 1.448 ( -1.543 -3.805 -0.163) 4.109 1.581 ( 5.702 -1.202 -3.071) 6.587 1.618 ( 12.062 -1.262 4.662) 12.993 1.837 ( -3.696 -1.508 -2.818) 4.886 1.966 ( -4.482 0.038 0.787) 4.551 2.082 ( -0.255 5.058 2.112) 5.487 2.290 ( 4.164 -4.402 0.724) 6.102 2.336 ( 3.981 -1.382 2.199) 4.753 2.472 ( 6.967 0.353 0.416) 6.989 2.559 ( 2.957 -2.849 1.265) 4.296 2.804 ( -1.635 3.553 -5.173) 6.485 2.903 ( -1.560 2.469 5.008) 5.797 3.180 ( -0.325 3.161 -0.891) 3.300 3.297 ( -1.010 4.004 -4.136) 5.844 3.375 ( -4.684 4.087 -0.111) 6.217 3.472 ( -0.186 14.276 -2.426) 14.482 3.740 ( -8.190 2.771 -6.517) 10.827 4.059 ( -0.875 1.569 4.280) 4.642 4.160 ( 0.841 5.695 3.590) 6.785 4.605 ( 7.020 -2.305 5.760) 9.369 4.668 ( 4.607 2.586 7.816) 9.434 4.737 ( 2.743 -2.332 3.438) 4.979 5.052 ( 0.894 -4.326 4.784) 6.511 5.148 ( -6.694 -3.269 6.053) 9.599 8.300 ( 13.006 1.675 4.910) 14.003 8.910 ( 0.996 -13.016 -9.579) 16.192 9.553 ( -0.270 15.500 -3.940) 15.995 9.853 ( -12.273 1.406 3.157) 12.750 10.055 ( -11.580 5.410 -0.256) 12.784 11.208 ( -9.744 -3.179 2.077) 10.458 12.320 ( 5.796 1.880 -2.420) 6.556 12.904 ( 6.468 -4.324 0.844) 7.825 13.935 ( -5.436 8.960 -1.984) 10.666 14.591 ( 11.340 -0.725 9.366) 14.725 15.823 ( 8.040 -0.566 2.811) 8.536 16.226 ( -6.063 -6.576 -6.911) 11.303 ======================= Grid point 13 (10/148) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -0.905 3.352 -0.519) 3.511 0.860 ( 3.571 0.187 0.410) 3.600 1.009 ( -0.981 1.658 -0.293) 1.949 1.043 ( 1.512 8.470 1.115) 8.676 1.084 ( 3.221 11.397 1.889) 11.993 1.293 ( 1.258 6.725 1.231) 6.952 1.395 ( -4.068 0.762 -1.549) 4.419 1.645 ( 4.146 -1.686 -2.235) 5.003 1.720 ( -4.950 -1.744 -1.925) 5.590 1.782 ( 3.175 -3.966 1.643) 5.340 1.973 ( 1.495 -4.995 4.358) 6.795 2.059 ( -1.673 1.853 -1.948) 3.167 2.314 ( 1.288 -3.478 -1.040) 3.852 2.368 ( -2.101 -4.248 0.818) 4.809 2.614 ( 3.470 -4.437 -1.061) 5.732 2.632 ( 4.360 -0.376 0.986) 4.486 2.764 ( 1.243 4.312 -0.594) 4.526 2.977 ( 3.255 2.414 7.083) 8.160 3.185 ( 0.022 5.528 -0.767) 5.581 3.249 ( 0.989 5.967 -3.972) 7.236 3.292 ( -4.429 5.850 1.421) 7.474 3.388 ( -5.925 4.264 -5.108) 8.910 3.620 ( -1.078 10.171 -1.207) 10.299 4.053 ( -1.034 2.621 1.046) 3.006 4.179 ( -0.300 7.444 1.004) 7.518 4.742 ( 3.737 -2.109 2.120) 4.786 4.774 ( 0.754 -3.395 1.791) 3.912 4.838 ( 6.305 -0.508 7.100) 9.509 5.000 ( -6.994 -3.573 -1.884) 8.076 5.139 ( 0.557 -2.180 1.905) 2.949 8.531 ( 7.056 0.069 5.433) 8.906 8.810 ( -2.155 -8.419 -8.112) 11.888 9.630 ( 7.787 11.484 -0.163) 13.876 9.695 ( -5.024 3.346 0.825) 6.092 9.847 ( -11.539 4.829 0.050) 12.509 11.103 ( -3.314 -3.666 0.689) 4.990 12.378 ( 2.023 1.666 -0.769) 2.731 12.987 ( 2.287 -4.828 0.282) 5.349 13.859 ( -1.944 9.786 -0.641) 9.998 14.802 ( 5.187 -2.742 4.530) 7.413 15.938 ( 3.016 -1.133 1.028) 3.382 16.088 ( -3.516 -3.034 -3.563) 5.853 ======================= Grid point 18 (11/148) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 0.000 11.325 0.000) 11.325 0.544 ( 0.000 12.507 0.000) 12.507 1.019 ( 0.000 -3.888 0.000) 3.888 1.028 ( 0.000 -2.350 0.000) 2.350 1.086 ( 0.000 -0.240 0.000) 0.240 1.234 ( 0.000 19.233 0.000) 19.233 1.290 ( 0.000 -2.789 0.000) 2.789 1.518 ( 0.000 6.202 0.000) 6.202 1.554 ( 0.000 9.422 0.000) 9.422 1.778 ( 0.000 3.781 0.000) 3.781 1.980 ( 0.000 -1.895 0.000) 1.895 2.026 ( 0.000 -2.623 0.000) 2.623 2.159 ( 0.000 -4.461 0.000) 4.461 2.201 ( 0.000 -7.049 0.000) 7.049 2.300 ( 0.000 1.064 0.000) 1.064 2.588 ( 0.000 7.145 0.000) 7.145 2.653 ( 0.000 -6.675 0.000) 6.675 3.276 ( 0.000 2.853 0.000) 2.853 3.371 ( 0.000 0.714 0.000) 0.714 3.495 ( 0.000 3.409 0.000) 3.409 3.627 ( 0.000 9.696 0.000) 9.696 3.693 ( 0.000 10.540 0.000) 10.540 3.800 ( 0.000 10.297 0.000) 10.297 3.853 ( 0.000 2.608 0.000) 2.608 4.187 ( 0.000 -3.750 0.000) 3.750 4.295 ( 0.000 -4.835 0.000) 4.835 4.614 ( 0.000 1.685 0.000) 1.685 4.681 ( 0.000 2.709 0.000) 2.709 4.856 ( 0.000 -1.290 0.000) 1.290 5.183 ( 0.000 -6.139 0.000) 6.139 7.927 ( 0.000 8.370 0.000) 8.370 8.550 ( 0.000 -10.846 0.000) 10.846 10.229 ( 0.000 4.440 0.000) 4.440 10.456 ( 0.000 23.236 0.000) 23.236 10.467 ( 0.000 -2.199 0.000) 2.199 11.902 ( 0.000 -18.187 0.000) 18.187 11.940 ( 0.000 5.886 0.000) 5.886 12.450 ( 0.000 -6.636 0.000) 6.636 14.058 ( 0.000 4.063 0.000) 4.063 14.222 ( 0.000 -0.533 0.000) 0.533 15.733 ( 0.000 1.584 0.000) 1.584 15.850 ( 0.000 -1.581 0.000) 1.581 ======================= Grid point 19 (12/148) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 5.589 8.581 4.495) 11.184 0.600 ( 5.244 10.702 2.317) 12.141 0.958 ( -4.056 -5.587 -2.678) 7.405 1.076 ( 4.865 0.139 1.565) 5.112 1.105 ( -0.039 0.943 1.861) 2.087 1.286 ( 4.385 6.539 1.882) 8.095 1.322 ( 3.467 6.523 1.059) 7.463 1.486 ( -0.457 7.005 -4.777) 8.491 1.595 ( 0.534 6.793 1.260) 6.929 1.766 ( -0.284 1.292 1.456) 1.968 1.995 ( 1.643 -0.765 -0.875) 2.012 2.032 ( -0.224 -3.245 2.916) 4.368 2.153 ( 1.174 -7.012 -3.068) 7.743 2.245 ( 3.603 -3.247 2.469) 5.442 2.358 ( 4.289 -0.064 1.448) 4.527 2.525 ( -5.124 7.079 -0.724) 8.769 2.681 ( 2.841 -3.717 -0.168) 4.681 3.179 ( -7.166 1.710 -0.958) 7.429 3.397 ( -0.619 -0.769 -1.167) 1.528 3.474 ( -1.598 2.029 -0.798) 2.703 3.627 ( -0.646 14.596 0.987) 14.644 3.753 ( 2.000 13.077 3.841) 13.775 3.842 ( 4.017 4.895 8.323) 10.458 3.922 ( 4.207 2.577 1.968) 5.312 4.208 ( 2.350 -3.818 2.216) 5.001 4.285 ( -0.891 -3.234 -1.998) 3.904 4.586 ( -0.787 3.075 -2.147) 3.832 4.687 ( -1.048 3.461 3.603) 5.105 4.854 ( 0.897 -2.530 -0.421) 2.717 5.159 ( -6.924 -5.966 10.240) 13.726 7.984 ( 6.136 7.753 0.436) 9.897 8.582 ( 4.573 -11.068 -3.036) 12.354 10.180 ( -6.904 4.706 1.149) 8.435 10.266 ( -13.502 12.439 1.138) 18.394 10.494 ( -1.813 7.616 -2.624) 8.257 11.619 ( -20.838 -10.048 4.698) 23.607 12.133 ( 12.850 0.995 -7.046) 14.689 12.508 ( 7.089 -5.901 -0.980) 9.275 14.137 ( 6.711 3.570 4.292) 8.730 14.252 ( 1.628 1.005 -0.467) 1.969 15.628 ( -2.226 5.826 -0.908) 6.303 16.016 ( 8.433 -9.582 1.512) 12.854 ======================= Grid point 20 (13/148) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 5.533 6.804 4.242) 9.742 0.760 ( 9.343 4.922 3.374) 11.086 0.887 ( -0.836 -2.328 -0.375) 2.502 1.098 ( -1.481 1.260 0.615) 2.040 1.200 ( 6.039 2.332 2.986) 7.129 1.376 ( 4.385 -0.826 1.214) 4.624 1.415 ( 2.843 8.059 1.161) 8.624 1.440 ( -0.428 3.235 -3.300) 4.641 1.578 ( 0.127 7.266 1.120) 7.353 1.793 ( 0.224 -2.597 0.743) 2.710 2.000 ( -0.648 -0.450 -1.741) 1.911 2.088 ( 4.774 -1.400 3.251) 5.943 2.170 ( 2.330 -7.794 -1.175) 8.219 2.303 ( -0.796 -2.738 -1.460) 3.203 2.421 ( 2.765 0.763 1.314) 3.155 2.464 ( -0.028 4.961 -0.088) 4.961 2.754 ( 4.757 -0.479 1.389) 4.979 3.048 ( -6.680 1.489 -0.228) 6.848 3.331 ( -4.975 1.255 -0.689) 5.176 3.419 ( -3.684 -0.469 -1.674) 4.074 3.604 ( -1.521 14.102 -1.408) 14.254 3.802 ( 0.631 14.286 1.586) 14.388 3.968 ( -1.220 6.328 -0.263) 6.449 4.003 ( 4.620 3.177 9.888) 11.367 4.227 ( -1.846 1.728 -1.335) 2.859 4.334 ( 7.795 -6.070 4.522) 10.866 4.612 ( 3.245 1.435 3.346) 4.877 4.701 ( -0.788 4.369 4.786) 6.528 4.893 ( 1.879 -4.354 3.443) 5.861 5.107 ( -7.542 -6.009 10.012) 13.901 8.139 ( 10.415 5.946 1.365) 12.070 8.647 ( 5.964 -10.901 -5.509) 13.592 9.975 ( -13.036 10.138 -0.745) 16.531 10.086 ( -10.578 4.371 2.327) 11.680 10.390 ( -7.430 9.446 -1.174) 12.075 11.307 ( -16.779 -9.269 2.789) 19.371 12.279 ( 9.287 3.636 -5.175) 11.236 12.655 ( 9.010 -6.022 -0.327) 10.843 14.226 ( -2.852 6.901 -1.173) 7.559 14.339 ( 9.891 1.568 6.882) 12.151 15.678 ( 6.193 3.052 1.725) 7.117 16.101 ( 1.805 -11.287 -2.217) 11.643 ======================= Grid point 21 (14/148) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 1.287 2.156 1.724) 3.046 0.873 ( 4.208 5.282 0.699) 6.789 1.015 ( 6.489 1.073 4.515) 7.978 1.087 ( 3.267 4.032 0.312) 5.199 1.291 ( 1.642 5.742 -0.838) 6.030 1.379 ( -2.587 4.353 4.918) 7.058 1.418 ( 0.191 5.272 -1.050) 5.379 1.507 ( 6.761 -4.998 0.171) 8.410 1.651 ( 3.737 4.312 -0.052) 5.706 1.778 ( -1.117 -3.458 1.386) 3.889 1.939 ( -4.063 -0.108 -3.501) 5.365 2.168 ( -1.499 -5.361 -0.815) 5.627 2.202 ( -1.421 1.485 0.278) 2.074 2.249 ( 3.170 -6.524 0.032) 7.254 2.460 ( 2.540 -3.446 -2.542) 4.979 2.532 ( 5.295 1.270 1.026) 5.541 2.840 ( 2.589 2.195 1.277) 3.626 2.969 ( -2.634 2.404 3.887) 5.275 3.254 ( -2.992 2.284 1.313) 3.987 3.332 ( -3.871 -1.162 -2.308) 4.654 3.550 ( -2.198 11.663 -4.150) 12.573 3.798 ( -2.586 16.114 -1.956) 16.437 3.885 ( -3.934 11.149 -1.263) 11.890 4.112 ( 0.886 3.404 4.360) 5.602 4.249 ( 2.550 2.030 4.127) 5.259 4.501 ( 6.609 -7.380 2.998) 10.350 4.712 ( 3.412 0.782 4.313) 5.554 4.745 ( 1.326 3.856 6.374) 7.567 4.946 ( -0.723 -5.399 4.923) 7.342 5.061 ( -3.618 -5.088 5.319) 8.202 8.350 ( 10.859 3.176 3.079) 11.725 8.685 ( 3.611 -8.930 -7.291) 12.081 9.795 ( -6.348 7.330 -0.086) 9.696 9.903 ( -11.086 2.819 1.574) 11.547 10.241 ( -8.515 13.171 -0.091) 15.684 11.090 ( -9.834 -8.479 1.665) 13.091 12.381 ( 5.871 4.160 -2.969) 7.783 12.791 ( 6.261 -6.539 -0.227) 9.055 14.155 ( -3.497 11.414 -0.875) 11.970 14.566 ( 8.771 -1.815 7.116) 11.440 15.816 ( 6.711 0.111 1.822) 6.955 16.070 ( -1.842 -7.834 -3.841) 8.917 ======================= Grid point 22 (15/148) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.849 4.032 0.891) 4.216 0.929 ( 1.241 5.868 -0.243) 6.002 1.040 ( 0.108 1.212 0.434) 1.292 1.221 ( 1.792 3.251 -1.253) 3.918 1.307 ( 4.127 7.684 4.754) 9.933 1.400 ( -0.269 7.992 2.233) 8.303 1.439 ( 1.678 2.349 0.118) 2.890 1.602 ( 3.254 -1.722 -2.266) 4.323 1.648 ( -1.199 -2.880 -0.481) 3.156 1.791 ( -0.758 2.174 0.699) 2.406 1.836 ( -2.998 -3.392 -1.445) 4.752 2.089 ( -2.525 -1.871 -1.146) 3.345 2.207 ( 0.226 -6.151 0.294) 6.162 2.274 ( -0.348 -5.727 -0.285) 5.745 2.516 ( 3.869 -4.032 -1.442) 5.771 2.590 ( 0.773 -3.196 0.238) 3.297 2.852 ( -0.168 4.426 -0.284) 4.438 3.017 ( 1.700 1.136 4.292) 4.754 3.258 ( 0.754 -0.565 1.500) 1.771 3.270 ( -1.474 -1.242 0.766) 2.074 3.477 ( -1.110 13.346 -5.495) 14.475 3.679 ( -5.385 19.903 -1.477) 20.671 3.868 ( 0.161 11.316 0.388) 11.324 4.127 ( -0.431 4.079 0.909) 4.201 4.322 ( 1.860 4.907 1.764) 5.536 4.593 ( 2.184 -9.482 0.788) 9.762 4.777 ( 1.582 1.194 1.301) 2.371 4.829 ( 1.751 -0.153 5.944) 6.198 4.921 ( -3.048 -3.340 -0.159) 4.524 5.071 ( 0.334 -4.244 1.881) 4.654 8.534 ( 5.570 0.256 4.701) 7.293 8.663 ( 0.341 -5.531 -6.608) 8.624 9.721 ( -4.026 2.409 1.044) 4.806 9.784 ( -1.450 1.648 -0.303) 2.215 10.115 ( -4.687 18.302 0.152) 18.894 10.985 ( -3.207 -7.932 0.568) 8.574 12.436 ( 2.020 4.177 -0.972) 4.741 12.864 ( 2.146 -6.938 -0.112) 7.263 14.106 ( -1.356 13.385 -0.241) 13.455 14.722 ( 3.610 -5.107 3.206) 7.028 15.912 ( 2.683 -1.172 0.695) 3.009 16.011 ( -1.376 -4.048 -2.003) 4.721 ======================= Grid point 27 (16/148) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 0.000 10.070 0.000) 10.070 0.794 ( 0.000 11.827 0.000) 11.827 0.872 ( 0.000 -8.269 0.000) 8.269 0.995 ( 0.000 -4.949 0.000) 4.949 1.070 ( 0.000 -0.659 0.000) 0.659 1.100 ( 0.000 -6.265 0.000) 6.265 1.598 ( 0.000 6.201 0.000) 6.201 1.652 ( 0.000 0.492 0.000) 0.492 1.700 ( 0.000 14.274 0.000) 14.274 1.870 ( 0.000 3.862 0.000) 3.862 1.942 ( 0.000 -5.373 0.000) 5.373 1.952 ( 0.000 -1.056 0.000) 1.056 2.056 ( 0.000 -4.694 0.000) 4.694 2.060 ( 0.000 -5.539 0.000) 5.539 2.382 ( 0.000 6.086 0.000) 6.086 2.515 ( 0.000 -6.599 0.000) 6.599 2.796 ( 0.000 13.134 0.000) 13.134 3.099 ( 0.000 -14.855 0.000) 14.855 3.395 ( 0.000 1.850 0.000) 1.850 3.451 ( 0.000 -3.490 0.000) 3.490 3.821 ( 0.000 8.476 0.000) 8.476 3.910 ( 0.000 3.431 0.000) 3.431 4.001 ( 0.000 8.245 0.000) 8.245 4.026 ( 0.000 8.549 0.000) 8.549 4.111 ( 0.000 -2.581 0.000) 2.581 4.186 ( 0.000 -6.050 0.000) 6.050 4.651 ( 0.000 2.420 0.000) 2.420 4.699 ( 0.000 -1.166 0.000) 1.166 4.882 ( 0.000 4.618 0.000) 4.618 5.029 ( 0.000 -8.404 0.000) 8.404 8.118 ( 0.000 10.017 0.000) 10.017 8.330 ( 0.000 -10.582 0.000) 10.582 10.324 ( 0.000 4.619 0.000) 4.619 10.409 ( 0.000 -3.519 0.000) 3.519 10.962 ( 0.000 25.445 0.000) 25.445 11.471 ( 0.000 -23.478 0.000) 23.478 12.092 ( 0.000 8.746 0.000) 8.746 12.282 ( 0.000 -9.285 0.000) 9.285 14.139 ( 0.000 3.596 0.000) 3.596 14.197 ( 0.000 -1.987 0.000) 1.987 15.770 ( 0.000 1.985 0.000) 1.985 15.812 ( 0.000 -2.009 0.000) 2.009 ======================= Grid point 28 (17/148) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.803 6.760 1.879) 7.062 0.800 ( -1.489 1.756 0.139) 2.307 0.863 ( 2.036 3.269 0.534) 3.888 1.039 ( 3.663 -6.172 1.034) 7.251 1.098 ( 2.270 0.691 2.445) 3.407 1.153 ( 4.030 -5.586 3.499) 7.726 1.584 ( -1.184 6.555 -2.489) 7.111 1.652 ( -0.593 1.196 -2.020) 2.422 1.720 ( 1.224 11.843 1.802) 12.042 1.832 ( -2.387 4.686 0.535) 5.286 1.926 ( 0.604 -5.595 2.011) 5.976 1.975 ( 0.431 -4.966 -0.622) 5.023 2.043 ( 1.697 -0.555 -0.980) 2.037 2.126 ( 3.218 -6.829 0.776) 7.589 2.419 ( 3.133 4.899 -0.166) 5.818 2.523 ( 0.977 -4.810 -1.267) 5.069 2.800 ( -0.065 12.642 2.816) 12.952 3.070 ( -3.539 -11.605 1.338) 12.206 3.378 ( -1.412 1.043 -0.920) 1.981 3.432 ( -2.022 -3.471 -0.602) 4.062 3.878 ( 3.558 9.211 2.459) 10.175 3.941 ( -0.322 5.469 5.537) 7.789 4.023 ( 0.504 2.039 1.393) 2.520 4.042 ( 3.322 8.698 2.291) 9.588 4.104 ( -0.216 -3.457 0.678) 3.530 4.208 ( 1.480 -4.507 2.045) 5.165 4.658 ( 0.689 3.756 0.001) 3.819 4.717 ( 0.775 -1.226 3.263) 3.571 4.859 ( -2.248 4.499 0.285) 5.037 5.008 ( -4.184 -8.370 4.704) 10.473 8.162 ( 5.187 9.408 -0.779) 10.771 8.363 ( 4.519 -10.223 -2.054) 11.365 10.270 ( -6.685 4.103 0.852) 7.889 10.335 ( -8.703 -1.797 0.903) 8.932 10.855 ( -10.095 22.467 0.241) 24.632 11.302 ( -16.207 -19.798 2.300) 25.689 12.211 ( 11.732 6.250 -3.603) 13.772 12.363 ( 8.824 -7.870 -1.913) 11.978 14.207 ( 5.835 2.974 3.017) 7.211 14.251 ( 4.401 -1.118 1.460) 4.770 15.741 ( -0.572 5.451 -0.615) 5.515 15.859 ( 2.967 -6.310 0.320) 6.980 ======================= Grid point 29 (18/148) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 2.956 1.209 3.467) 4.714 0.781 ( 1.379 -1.352 2.330) 3.026 0.955 ( 6.074 7.941 1.924) 10.181 1.094 ( 1.802 -3.459 0.820) 3.986 1.206 ( 6.914 0.719 2.644) 7.437 1.268 ( 5.286 -5.183 3.195) 8.064 1.518 ( -3.978 5.123 -1.044) 6.569 1.591 ( -3.369 0.022 -1.515) 3.694 1.755 ( 1.072 10.031 2.429) 10.376 1.817 ( -0.101 5.870 -1.696) 6.110 1.976 ( 0.350 -4.195 1.561) 4.489 1.996 ( 3.923 -6.134 -0.816) 7.327 2.070 ( 2.199 0.310 0.115) 2.224 2.169 ( 1.070 -8.396 -0.490) 8.478 2.450 ( 1.383 3.504 -2.740) 4.658 2.517 ( 0.339 -1.878 -2.650) 3.266 2.850 ( 1.843 8.703 5.162) 10.285 3.013 ( -4.033 -5.429 2.374) 7.168 3.331 ( -3.268 0.386 -0.535) 3.334 3.371 ( -3.769 -2.967 -1.455) 5.012 3.867 ( -3.169 11.010 -1.608) 11.569 3.995 ( -0.860 3.017 -0.092) 3.138 4.060 ( 3.646 1.294 8.165) 9.035 4.141 ( 1.958 2.794 3.520) 4.902 4.165 ( 5.594 -0.904 2.394) 6.152 4.261 ( 2.364 -1.769 3.330) 4.450 4.683 ( 1.209 5.247 3.377) 6.356 4.769 ( 0.628 -0.643 5.784) 5.853 4.835 ( -0.913 2.010 2.190) 3.109 4.965 ( -4.987 -7.736 6.088) 11.036 8.279 ( 8.507 7.527 -0.938) 11.398 8.446 ( 6.872 -8.837 -3.475) 11.721 10.102 ( -12.633 3.755 0.919) 13.212 10.143 ( -12.816 0.127 1.166) 12.870 10.684 ( -9.117 17.651 0.985) 19.891 11.042 ( -13.945 -16.065 2.224) 21.389 12.377 ( 9.860 6.024 -3.811) 12.167 12.517 ( 9.443 -7.185 -2.005) 12.034 14.331 ( 2.826 3.199 1.746) 4.612 14.360 ( 7.117 0.117 4.509) 8.426 15.764 ( 3.294 5.456 0.184) 6.376 15.903 ( 2.219 -8.116 -0.825) 8.454 ======================= Grid point 30 (19/148) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 2.833 3.800 3.619) 5.963 0.906 ( 5.990 -3.839 5.092) 8.749 1.063 ( 2.695 6.104 0.551) 6.695 1.144 ( 5.318 -0.170 -0.378) 5.334 1.308 ( 1.648 0.432 -1.434) 2.227 1.370 ( 5.399 -5.801 -0.425) 7.936 1.483 ( 0.074 4.874 5.123) 7.071 1.556 ( -0.782 -0.073 3.191) 3.286 1.773 ( -1.444 6.524 -3.598) 7.589 1.803 ( 1.021 7.101 2.598) 7.629 1.962 ( -1.373 1.325 -4.124) 4.544 2.027 ( 0.866 -6.968 0.237) 7.025 2.119 ( -0.635 -4.693 -1.622) 5.006 2.139 ( -1.861 -6.291 0.456) 6.576 2.450 ( 2.233 2.581 -3.141) 4.639 2.515 ( 1.638 -2.764 -2.256) 3.926 2.917 ( 1.146 4.469 3.928) 6.059 2.983 ( -1.577 -1.290 3.916) 4.414 3.268 ( -3.116 0.217 -0.064) 3.124 3.292 ( -3.508 -2.023 -1.430) 4.294 3.801 ( -1.997 12.042 -2.106) 12.387 3.969 ( -1.229 -1.316 0.149) 1.807 4.150 ( -3.162 9.589 0.377) 10.104 4.181 ( 2.051 3.650 3.502) 5.459 4.247 ( 4.613 -0.213 1.842) 4.972 4.355 ( 3.857 -6.201 3.610) 8.146 4.749 ( 1.694 2.988 5.177) 6.213 4.812 ( -1.067 -0.022 6.104) 6.197 4.861 ( 0.550 -0.104 4.107) 4.144 4.948 ( -1.168 -5.644 4.548) 7.342 8.428 ( 8.348 4.463 -0.113) 9.467 8.535 ( 5.980 -6.052 -3.926) 9.371 9.893 ( -10.540 3.173 0.793) 11.036 9.931 ( -11.399 -0.365 0.825) 11.434 10.556 ( -6.432 16.110 1.268) 17.392 10.863 ( -8.107 -13.395 1.657) 15.744 12.493 ( 6.118 6.649 -2.610) 9.405 12.643 ( 6.224 -7.619 -1.488) 9.950 14.368 ( 0.339 8.781 1.298) 8.883 14.504 ( 4.918 -4.586 4.204) 7.930 15.841 ( 4.385 2.588 0.445) 5.111 15.927 ( 1.505 -5.764 -1.339) 6.106 ======================= Grid point 31 (20/148) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 2.709 6.539 2.843) 7.627 1.017 ( 1.208 -3.120 2.202) 4.005 1.076 ( 1.940 6.341 -0.449) 6.646 1.192 ( -0.673 -4.065 -2.846) 5.007 1.340 ( 3.622 0.808 2.043) 4.236 1.421 ( 0.826 -4.592 -0.461) 4.688 1.566 ( 3.297 2.733 2.714) 5.070 1.598 ( 1.568 -0.123 2.727) 3.148 1.706 ( -1.992 10.417 -2.941) 11.006 1.842 ( -0.333 5.175 4.146) 6.639 1.890 ( -1.143 1.460 -5.480) 5.786 2.011 ( -3.704 -0.709 -1.388) 4.019 2.049 ( -0.329 -9.213 -0.043) 9.219 2.132 ( -0.817 -7.841 -0.286) 7.888 2.481 ( 2.287 0.565 -1.267) 2.675 2.522 ( 0.169 -3.033 -0.751) 3.129 2.944 ( 0.212 4.350 1.055) 4.482 3.013 ( 0.783 -1.866 2.633) 3.320 3.229 ( -1.132 -0.832 -0.139) 1.412 3.239 ( -1.532 -1.423 -0.400) 2.128 3.775 ( 0.123 13.841 -0.829) 13.866 3.958 ( -0.283 -0.982 0.014) 1.022 4.076 ( -3.224 13.053 -0.242) 13.448 4.197 ( -0.386 1.448 0.057) 1.500 4.350 ( 3.947 -0.995 1.217) 4.249 4.412 ( 0.298 -6.975 1.281) 7.098 4.800 ( 1.079 0.982 1.575) 2.147 4.820 ( -1.820 -0.993 3.132) 3.756 4.903 ( 0.863 1.974 2.033) 2.963 4.977 ( 0.542 -4.579 1.970) 5.014 8.546 ( 3.777 1.016 1.537) 4.202 8.582 ( 2.192 -2.619 -3.205) 4.684 9.766 ( -4.315 1.859 0.577) 4.733 9.792 ( -4.062 -0.550 0.081) 4.100 10.482 ( -2.516 16.526 0.576) 16.726 10.778 ( -2.691 -12.265 0.625) 12.572 12.551 ( 2.064 6.948 -0.922) 7.307 12.709 ( 2.106 -7.984 -0.560) 8.276 14.374 ( -0.154 12.123 0.519) 12.135 14.586 ( 1.657 -8.405 1.727) 8.739 15.902 ( 1.908 0.487 0.191) 1.979 15.937 ( 0.559 -2.843 -0.646) 2.969 ======================= Grid point 63 (21/148) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.208 ( 2.238 0.000 10.589) 10.822 0.220 ( -2.819 0.000 10.786) 11.148 0.595 ( -3.016 0.000 26.549) 26.720 0.780 ( 2.055 0.000 0.113) 2.058 1.003 ( 1.095 0.000 -2.963) 3.159 1.167 ( -2.640 0.000 0.803) 2.759 1.260 ( 1.484 0.000 1.036) 1.810 1.303 ( 4.405 0.000 5.257) 6.859 1.477 ( -1.269 0.000 -2.571) 2.868 1.753 ( -8.844 0.000 2.001) 9.068 1.989 ( -0.520 0.000 -3.017) 3.062 2.138 ( 2.366 0.000 2.012) 3.106 2.287 ( 1.229 0.000 -3.823) 4.015 2.334 ( -4.650 0.000 -2.574) 5.315 2.388 ( -2.828 0.000 -0.249) 2.839 2.409 ( 1.483 0.000 1.419) 2.052 2.829 ( 1.666 0.000 6.969) 7.165 2.851 ( -1.320 0.000 -1.770) 2.208 3.181 ( -14.519 0.000 -0.703) 14.536 3.360 ( -2.467 0.000 -0.516) 2.520 3.426 ( -4.257 0.000 6.138) 7.469 3.639 ( -3.967 0.000 -4.778) 6.210 3.654 ( 5.496 0.000 10.087) 11.487 4.047 ( 2.269 0.000 5.110) 5.591 4.131 ( 5.608 0.000 1.508) 5.808 4.205 ( -2.475 0.000 1.291) 2.791 4.552 ( 0.967 0.000 -0.585) 1.130 4.579 ( 3.506 0.000 1.632) 3.867 4.921 ( 2.910 0.000 1.165) 3.134 5.626 ( 34.056 0.000 -4.809) 34.394 7.782 ( -0.737 0.000 4.369) 4.431 8.813 ( 2.715 0.000 -5.879) 6.475 10.005 ( -11.719 0.000 3.635) 12.270 10.312 ( -0.291 0.000 0.796) 0.848 10.952 ( -44.009 0.000 -0.093) 44.009 11.718 ( 15.551 0.000 -6.573) 16.883 11.945 ( -14.014 0.000 5.523) 15.063 12.546 ( 3.278 0.000 -1.429) 3.576 13.990 ( 4.687 0.000 3.070) 5.603 14.234 ( -4.725 0.000 0.906) 4.811 15.331 ( 3.596 0.000 2.932) 4.640 15.954 ( 25.074 0.000 -2.118) 25.164 ======================= Grid point 64 (22/148) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 7.691 0.000 8.655) 11.578 0.453 ( 10.726 0.000 9.413) 14.271 0.727 ( 3.157 0.000 0.716) 3.237 0.926 ( 5.851 0.000 9.534) 11.186 1.051 ( 4.972 0.000 -1.917) 5.329 1.172 ( 3.425 0.000 8.038) 8.737 1.276 ( -0.396 0.000 1.512) 1.563 1.438 ( 0.275 0.000 -4.183) 4.192 1.471 ( 7.266 0.000 6.425) 9.700 1.775 ( 6.393 0.000 1.279) 6.520 1.950 ( -1.495 0.000 -2.724) 3.107 2.162 ( -9.577 0.000 -3.537) 10.209 2.180 ( 0.833 0.000 0.704) 1.090 2.316 ( 4.531 0.000 -1.044) 4.649 2.336 ( -1.760 0.000 0.052) 1.760 2.484 ( 3.603 0.000 1.076) 3.760 2.847 ( 2.665 0.000 -2.222) 3.470 2.870 ( -1.813 0.000 -0.802) 1.983 3.100 ( -0.742 0.000 2.025) 2.157 3.287 ( -4.191 0.000 1.327) 4.396 3.407 ( -3.506 0.000 5.709) 6.699 3.508 ( -6.038 0.000 -4.085) 7.290 3.848 ( 4.737 0.000 8.033) 9.326 4.114 ( 0.351 0.000 5.609) 5.620 4.144 ( -4.408 0.000 3.300) 5.507 4.319 ( 11.344 0.000 4.747) 12.297 4.563 ( 0.711 0.000 0.948) 1.185 4.663 ( 3.666 0.000 2.717) 4.563 5.000 ( 4.010 0.000 2.762) 4.869 5.679 ( -10.140 0.000 -2.820) 10.525 7.872 ( 7.048 0.000 4.551) 8.390 8.860 ( 7.741 0.000 -5.878) 9.720 9.708 ( -22.212 0.000 5.329) 22.842 10.276 ( -4.449 0.000 0.714) 4.506 10.438 ( -20.295 0.000 7.504) 21.637 11.715 ( -14.589 0.000 3.480) 14.998 11.945 ( 13.057 0.000 -3.238) 13.453 12.651 ( 8.605 0.000 -0.152) 8.606 14.100 ( -8.920 0.000 -1.469) 9.040 14.180 ( 11.875 0.000 6.941) 13.755 15.494 ( 9.931 0.000 5.077) 11.153 16.277 ( 13.565 0.000 -17.699) 22.299 ======================= Grid point 65 (23/148) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 10.236 0.000 7.381) 12.620 0.681 ( 6.211 0.000 9.638) 11.466 0.742 ( 1.253 0.000 -4.475) 4.647 0.975 ( 0.021 0.000 -0.443) 0.443 1.078 ( -1.180 0.000 -1.212) 1.691 1.290 ( 0.114 0.000 0.356) 0.373 1.441 ( 4.525 0.000 -4.110) 6.113 1.448 ( 10.029 0.000 11.939) 15.593 1.572 ( 2.594 0.000 4.490) 5.185 1.879 ( -4.123 0.000 -3.939) 5.702 1.983 ( 12.584 0.000 3.096) 12.959 2.010 ( -5.250 0.000 1.101) 5.364 2.200 ( 4.120 0.000 -1.416) 4.356 2.310 ( -1.217 0.000 -0.649) 1.379 2.419 ( 6.397 0.000 1.649) 6.606 2.550 ( 3.516 0.000 -0.051) 3.516 2.740 ( -7.795 0.000 -7.928) 11.118 2.896 ( 3.711 0.000 0.040) 3.711 3.115 ( 0.131 0.000 1.969) 1.974 3.258 ( -0.937 0.000 0.399) 1.019 3.387 ( -3.850 0.000 5.633) 6.823 3.399 ( -4.468 0.000 1.969) 4.883 3.804 ( -9.006 0.000 -5.037) 10.319 4.139 ( -2.148 0.000 4.887) 5.339 4.167 ( -0.907 0.000 6.926) 6.985 4.551 ( 10.167 0.000 3.890) 10.886 4.630 ( 4.756 0.000 6.180) 7.798 4.738 ( 3.028 0.000 1.008) 3.192 5.089 ( 3.519 0.000 2.374) 4.245 5.446 ( -13.431 0.000 -1.398) 13.504 8.085 ( 12.890 0.000 3.528) 13.364 8.990 ( 12.044 0.000 -5.815) 13.374 9.362 ( -19.844 0.000 2.820) 20.044 10.167 ( -8.240 0.000 0.184) 8.242 10.173 ( -16.701 0.000 4.694) 17.348 11.485 ( -14.030 0.000 3.355) 14.426 12.133 ( 10.432 0.000 -1.951) 10.612 12.814 ( 9.409 0.000 -0.391) 9.417 13.934 ( -8.123 0.000 -1.579) 8.275 14.477 ( 14.220 0.000 8.082) 16.356 15.714 ( 10.046 0.000 4.531) 11.021 16.240 ( -0.642 0.000 -15.314) 15.327 ======================= Grid point 66 (24/148) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -2.003 0.000 -2.444) 3.160 0.810 ( 9.411 0.000 6.562) 11.473 0.842 ( 3.935 0.000 3.189) 5.065 1.009 ( 2.474 0.000 5.229) 5.785 1.029 ( -2.268 0.000 -1.123) 2.530 1.239 ( -4.949 0.000 -1.340) 5.127 1.451 ( -5.514 0.000 -1.113) 5.625 1.532 ( 7.307 0.000 -2.188) 7.628 1.779 ( -3.485 0.000 -2.080) 4.059 1.817 ( 10.474 0.000 8.768) 13.660 1.971 ( -2.567 0.000 3.067) 3.999 2.071 ( 1.010 0.000 -5.683) 5.772 2.286 ( 0.186 0.000 -2.039) 2.047 2.424 ( 15.770 0.000 2.755) 16.009 2.530 ( -7.787 0.000 -8.229) 11.330 2.552 ( 7.239 0.000 2.287) 7.591 2.609 ( 3.294 0.000 -0.093) 3.295 2.976 ( 3.799 0.000 2.806) 4.723 3.132 ( -0.693 0.000 5.275) 5.320 3.233 ( -0.495 0.000 -2.201) 2.256 3.338 ( -8.218 0.000 4.500) 9.369 3.390 ( -1.184 0.000 6.021) 6.137 3.573 ( -8.992 0.000 -6.044) 10.834 4.116 ( -4.018 0.000 3.648) 5.427 4.148 ( -3.958 0.000 1.438) 4.211 4.703 ( 4.667 0.000 -0.154) 4.670 4.787 ( 3.138 0.000 -1.329) 3.408 4.799 ( 6.979 0.000 7.137) 9.982 5.145 ( 1.616 0.000 -0.437) 1.674 5.191 ( -12.764 0.000 -5.558) 13.922 8.337 ( 12.952 0.000 -1.120) 13.000 9.104 ( -12.936 0.000 9.308) 15.937 9.182 ( 14.421 0.000 -5.747) 15.524 9.915 ( -15.670 0.000 3.061) 15.966 9.995 ( -10.767 0.000 -0.736) 10.792 11.289 ( -10.532 0.000 2.648) 10.859 12.276 ( 6.821 0.000 -0.453) 6.836 12.954 ( 6.829 0.000 -1.232) 6.940 13.806 ( -5.182 0.000 -0.572) 5.213 14.752 ( 9.885 0.000 4.373) 10.809 15.891 ( 6.422 0.000 2.772) 6.995 16.094 ( -2.618 0.000 -10.721) 11.036 ======================= Grid point 67 (25/148) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 0.703 0.000 0.288) 0.760 0.889 ( 1.273 0.000 -0.859) 1.535 0.953 ( 2.059 0.000 0.135) 2.064 1.004 ( -2.431 0.000 0.676) 2.524 1.088 ( -3.265 0.000 8.804) 9.390 1.165 ( 0.285 0.000 2.950) 2.964 1.365 ( -0.206 0.000 -1.555) 1.569 1.632 ( 5.211 0.000 -1.282) 5.366 1.736 ( -1.055 0.000 1.314) 1.686 1.929 ( -4.036 0.000 0.333) 4.050 1.951 ( -1.440 0.000 -0.365) 1.486 2.049 ( 3.174 0.000 -3.984) 5.094 2.316 ( 5.535 0.000 -2.325) 6.004 2.368 ( -4.491 0.000 -5.170) 6.848 2.588 ( 4.149 0.000 -2.465) 4.826 2.668 ( 3.067 0.000 1.332) 3.343 2.719 ( 4.866 0.000 -0.792) 4.930 3.050 ( 2.533 0.000 0.874) 2.679 3.098 ( -15.176 0.000 -0.934) 15.205 3.219 ( 2.478 0.000 12.259) 12.507 3.229 ( 1.147 0.000 0.237) 1.172 3.406 ( -2.251 0.000 3.909) 4.511 3.515 ( 2.285 0.000 3.759) 4.399 4.066 ( -3.686 0.000 2.231) 4.309 4.088 ( -2.637 0.000 -0.452) 2.676 4.712 ( -0.123 0.000 -5.724) 5.725 4.821 ( 1.332 0.000 -2.339) 2.692 4.901 ( -9.861 0.000 -9.814) 13.912 4.954 ( 2.900 0.000 1.515) 3.272 5.132 ( -0.740 0.000 -4.772) 4.829 8.455 ( 3.687 0.000 -7.168) 8.061 9.107 ( -0.398 0.000 20.644) 20.648 9.375 ( 11.003 0.000 -6.755) 12.911 9.699 ( -9.556 0.000 1.442) 9.664 9.809 ( -7.896 0.000 -0.510) 7.912 11.164 ( -5.265 0.000 1.239) 5.408 12.364 ( 2.862 0.000 0.965) 3.021 13.024 ( 2.508 0.000 -2.250) 3.370 13.751 ( -1.103 0.000 0.957) 1.460 14.830 ( -1.410 0.000 -5.214) 5.401 15.969 ( 0.738 0.000 0.656) 0.987 16.052 ( 4.570 0.000 -2.318) 5.124 ======================= Grid point 68 (26/148) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 2.396 0.000 2.902) 3.763 0.869 ( -9.434 0.000 -1.480) 9.550 0.886 ( -1.446 0.000 0.573) 1.556 0.982 ( 2.305 0.000 -0.912) 2.479 0.999 ( -7.884 0.000 1.379) 8.004 1.273 ( 3.683 0.000 5.748) 6.827 1.451 ( 6.089 0.000 4.511) 7.578 1.704 ( 3.776 0.000 0.614) 3.826 1.738 ( -1.535 0.000 1.230) 1.967 1.826 ( -9.371 0.000 -4.185) 10.263 1.873 ( 0.005 0.000 -0.087) 0.087 2.048 ( -0.899 0.000 -5.357) 5.432 2.292 ( -0.815 0.000 -2.963) 3.073 2.420 ( 7.392 0.000 -3.231) 8.068 2.559 ( -13.260 0.000 -8.271) 15.628 2.591 ( -4.401 0.000 -2.698) 5.162 2.752 ( 4.252 0.000 5.265) 6.768 2.862 ( -4.685 0.000 -1.756) 5.004 3.202 ( 6.486 0.000 4.454) 7.868 3.272 ( 1.696 0.000 0.933) 1.935 3.349 ( 0.795 0.000 12.658) 12.682 3.363 ( -4.160 0.000 2.955) 5.103 3.669 ( 8.633 0.000 8.882) 12.386 4.032 ( -1.577 0.000 0.878) 1.805 4.047 ( -1.700 0.000 -2.358) 2.907 4.618 ( -9.452 0.000 -12.221) 15.450 4.630 ( -2.746 0.000 -8.840) 9.257 4.779 ( -3.006 0.000 -4.710) 5.588 5.009 ( 2.802 0.000 -5.379) 6.065 5.060 ( -1.559 0.000 -7.448) 7.609 8.389 ( -5.443 0.000 -4.809) 7.264 9.328 ( 4.501 0.000 24.992) 25.394 9.360 ( -5.731 0.000 -7.871) 9.736 9.653 ( 4.180 0.000 0.097) 4.181 9.816 ( 8.206 0.000 0.428) 8.217 11.126 ( 0.875 0.000 -1.200) 1.485 12.390 ( -1.264 0.000 2.356) 2.674 13.005 ( -2.311 0.000 -3.192) 3.941 13.785 ( 3.283 0.000 2.757) 4.287 14.652 ( -9.622 0.000 -11.786) 15.215 15.925 ( -5.378 0.000 -1.332) 5.541 16.195 ( 10.132 0.000 2.266) 10.382 ======================= Grid point 69 (27/148) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -10.645 0.000 2.765) 10.999 0.677 ( -11.418 0.000 0.009) 11.418 0.895 ( -0.545 0.000 3.459) 3.502 0.940 ( 3.248 0.000 -0.495) 3.286 1.036 ( 4.242 0.000 -0.546) 4.277 1.320 ( -1.935 0.000 1.794) 2.639 1.513 ( -13.055 0.000 -1.212) 13.111 1.610 ( -4.678 0.000 2.629) 5.366 1.639 ( -6.169 0.000 -0.273) 6.176 1.853 ( 9.519 0.000 1.393) 9.621 1.936 ( 4.086 0.000 4.014) 5.728 1.938 ( -4.018 0.000 -8.212) 9.142 2.245 ( -11.024 0.000 -6.017) 12.559 2.284 ( 1.569 0.000 -1.181) 1.964 2.489 ( 3.228 0.000 -3.587) 4.826 2.493 ( -5.002 0.000 -2.755) 5.711 2.832 ( 0.932 0.000 -1.091) 1.435 2.897 ( 5.348 0.000 7.241) 9.002 3.203 ( -5.684 0.000 -1.644) 5.917 3.319 ( 3.074 0.000 4.699) 5.615 3.424 ( 5.363 0.000 5.353) 7.578 3.451 ( 0.093 0.000 13.021) 13.021 3.878 ( 1.459 0.000 4.167) 4.415 3.963 ( 0.227 0.000 -1.562) 1.578 4.017 ( -0.723 0.000 -0.324) 0.792 4.447 ( -0.459 0.000 -7.590) 7.604 4.481 ( -6.228 0.000 -9.206) 11.115 4.664 ( -3.932 0.000 -7.136) 8.147 4.959 ( -0.217 0.000 -14.182) 14.183 4.979 ( -1.228 0.000 -6.944) 7.052 8.205 ( -12.103 0.000 -1.037) 12.148 9.162 ( -8.589 0.000 -7.106) 11.148 9.658 ( 13.321 0.000 18.892) 23.116 9.813 ( 9.405 0.000 8.972) 12.998 9.997 ( 10.533 0.000 0.205) 10.535 11.176 ( 7.041 0.000 -4.147) 8.171 12.357 ( -5.112 0.000 3.637) 6.274 12.900 ( -6.259 0.000 -3.871) 7.359 13.902 ( 6.636 0.000 4.540) 8.041 14.368 ( -11.170 0.000 -11.951) 16.359 15.769 ( -10.161 0.000 -2.753) 10.527 16.388 ( 9.842 0.000 -0.527) 9.856 ======================= Grid point 70 (28/148) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -12.954 0.000 5.224) 13.967 0.477 ( -12.180 0.000 2.386) 12.411 0.844 ( -7.365 0.000 1.543) 7.525 1.063 ( 5.896 0.000 3.001) 6.615 1.112 ( 3.818 0.000 0.450) 3.845 1.143 ( -21.280 0.000 0.569) 21.287 1.238 ( -6.146 0.000 -2.184) 6.522 1.464 ( -12.492 0.000 -4.875) 13.409 1.553 ( -2.815 0.000 -0.855) 2.942 1.918 ( 4.686 0.000 -0.667) 4.733 1.979 ( 3.095 0.000 1.114) 3.290 2.102 ( 10.355 0.000 3.904) 11.067 2.104 ( -2.288 0.000 -2.835) 3.643 2.327 ( 2.663 0.000 2.654) 3.760 2.393 ( -3.705 0.000 -2.970) 4.748 2.485 ( -1.056 0.000 -1.606) 1.922 2.850 ( 1.655 0.000 -1.068) 1.970 2.928 ( -6.384 0.000 0.773) 6.431 3.203 ( 6.039 0.000 2.818) 6.664 3.387 ( 0.318 0.000 5.000) 5.010 3.572 ( 1.905 0.000 11.415) 11.573 3.574 ( 6.395 0.000 4.653) 7.909 3.730 ( -6.411 0.000 0.254) 6.416 3.995 ( -1.187 0.000 -0.865) 1.469 4.137 ( 6.773 0.000 9.210) 11.432 4.289 ( -7.708 0.000 -7.067) 10.457 4.438 ( 3.393 0.000 -6.634) 7.451 4.561 ( -1.284 0.000 -6.544) 6.668 4.775 ( -5.559 0.000 -19.994) 20.752 4.915 ( -0.664 0.000 -4.830) 4.876 7.985 ( -12.265 0.000 1.649) 12.375 8.977 ( -6.205 0.000 -6.492) 8.980 9.926 ( 10.971 0.000 -4.153) 11.731 10.164 ( 7.868 0.000 0.480) 7.883 10.237 ( 17.451 0.000 38.381) 42.162 11.305 ( 12.183 0.000 -6.462) 13.791 12.269 ( -8.506 0.000 4.653) 9.695 12.740 ( -7.900 0.000 -4.135) 8.917 14.071 ( 7.533 0.000 5.631) 9.405 14.110 ( -8.592 0.000 -8.357) 11.986 15.548 ( -11.617 0.000 -3.041) 12.008 16.483 ( 4.199 0.000 -11.790) 12.516 ======================= Grid point 71 (29/148) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( -11.525 0.000 6.366) 13.166 0.315 ( -12.164 0.000 7.727) 14.411 0.619 ( -20.322 0.000 15.276) 25.423 0.868 ( -9.016 0.000 -2.648) 9.397 1.072 ( -5.782 0.000 -2.420) 6.268 1.185 ( 1.868 0.000 5.350) 5.667 1.210 ( 3.600 0.000 -0.525) 3.639 1.255 ( -4.322 0.000 -2.882) 5.195 1.514 ( -1.391 0.000 -1.064) 1.752 1.951 ( -1.784 0.000 -5.973) 6.234 2.008 ( 0.800 0.000 -1.798) 1.968 2.093 ( 1.710 0.000 -0.526) 1.789 2.284 ( 7.634 0.000 0.728) 7.668 2.320 ( -1.650 0.000 -3.491) 3.861 2.392 ( -0.677 0.000 3.333) 3.401 2.453 ( -1.336 0.000 1.592) 2.078 2.810 ( -5.373 0.000 2.152) 5.788 2.868 ( 1.148 0.000 -1.308) 1.740 3.335 ( 4.655 0.000 2.038) 5.081 3.405 ( -2.228 0.000 3.769) 4.378 3.564 ( -1.387 0.000 1.210) 1.841 3.680 ( 2.315 0.000 -0.084) 2.316 3.733 ( -11.132 0.000 -16.012) 19.501 3.984 ( 0.717 0.000 1.637) 1.788 4.134 ( -4.218 0.000 -3.602) 5.547 4.218 ( -2.495 0.000 -1.838) 3.099 4.509 ( 7.454 0.000 3.975) 8.448 4.531 ( 1.827 0.000 -2.356) 2.982 4.702 ( 18.761 0.000 26.296) 32.302 4.889 ( 0.839 0.000 -1.801) 1.986 7.826 ( -7.552 0.000 3.434) 8.296 8.854 ( -2.159 0.000 -6.046) 6.420 10.038 ( 4.564 0.000 -2.223) 5.077 10.274 ( 3.947 0.000 0.709) 4.011 10.948 ( 28.050 0.000 34.608) 44.548 11.496 ( 15.246 0.000 -7.199) 16.860 12.130 ( -11.575 0.000 5.237) 12.704 12.585 ( -5.255 0.000 -3.897) 6.542 13.965 ( -2.465 0.000 -2.415) 3.451 14.220 ( 3.716 0.000 4.594) 5.909 15.356 ( -6.929 0.000 -1.160) 7.025 16.213 ( -20.872 0.000 -30.306) 36.798 ======================= Grid point 72 (30/148) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 2.174 9.723 6.106) 11.685 0.390 ( -0.164 9.260 8.644) 12.668 0.839 ( -2.945 20.483 15.391) 25.789 0.999 ( 0.293 7.755 -0.615) 7.785 1.007 ( -0.327 3.063 -2.882) 4.218 1.165 ( -1.945 1.462 3.442) 4.215 1.282 ( 0.529 3.485 -0.123) 3.527 1.363 ( 3.783 2.152 1.738) 4.687 1.469 ( -0.187 1.704 -0.006) 1.714 1.753 ( -3.423 0.785 2.492) 4.307 1.986 ( -0.399 -0.708 -2.785) 2.901 2.096 ( 2.607 -1.732 2.964) 4.310 2.197 ( 0.332 -5.161 -3.926) 6.493 2.323 ( -1.689 -3.357 0.252) 3.767 2.383 ( 1.850 -3.221 2.403) 4.424 2.449 ( -3.326 5.816 -1.644) 6.899 2.765 ( -1.091 -5.614 -1.172) 5.838 3.068 ( 1.449 16.053 2.872) 16.372 3.273 ( -4.762 9.600 3.611) 11.309 3.416 ( -1.490 4.235 3.345) 5.599 3.463 ( -3.544 5.177 3.142) 7.016 3.689 ( 1.472 1.245 2.452) 3.119 3.719 ( 2.800 5.101 5.487) 7.998 3.991 ( 3.747 -9.041 2.058) 10.001 4.191 ( -2.520 7.536 -7.000) 10.589 4.251 ( 0.700 0.973 0.068) 1.201 4.520 ( 2.266 -0.279 1.381) 2.668 4.641 ( 0.683 4.086 -0.087) 4.144 4.883 ( 3.156 -3.282 1.020) 4.666 5.462 ( 17.068 -9.875 5.282) 20.414 7.829 ( -0.737 4.600 4.050) 6.173 8.747 ( -0.891 -6.963 -3.154) 7.696 10.104 ( -5.965 10.518 3.600) 12.616 10.258 ( -1.408 -1.955 5.579) 6.077 10.608 ( -12.674 -9.901 8.841) 18.352 11.777 ( 13.465 1.397 -7.603) 15.527 12.130 ( -17.200 1.569 -2.856) 17.506 12.498 ( 2.228 -3.163 -2.427) 4.567 14.015 ( 4.648 2.478 2.862) 5.995 14.240 ( -2.629 0.300 1.223) 2.915 15.526 ( -3.890 9.963 -6.729) 12.636 15.918 ( 15.686 -2.659 -0.252) 15.912 ======================= Grid point 73 (31/148) ======================= q-point: ( 0.11 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 6.131 8.937 6.097) 12.435 0.521 ( 8.086 6.018 7.800) 12.745 0.928 ( -0.079 11.146 -1.976) 11.320 0.989 ( -0.029 5.779 5.783) 8.175 1.039 ( 5.559 0.845 -2.190) 6.034 1.237 ( 5.451 6.428 11.382) 14.163 1.288 ( -0.679 1.235 1.539) 2.087 1.418 ( 2.443 -2.408 -2.176) 4.062 1.518 ( 2.123 4.266 3.649) 6.001 1.781 ( 4.374 0.828 2.259) 4.992 1.956 ( -0.192 0.509 -2.575) 2.632 2.122 ( -0.790 -3.320 -1.776) 3.847 2.222 ( 3.722 -2.813 0.153) 4.668 2.318 ( -5.970 6.892 -0.591) 9.137 2.332 ( 1.708 -1.597 0.523) 2.397 2.461 ( 2.961 -1.961 1.012) 3.693 2.750 ( 0.700 -4.595 -1.423) 4.861 3.058 ( -3.599 9.768 -2.497) 10.705 3.239 ( -1.241 12.007 2.261) 12.281 3.391 ( -5.998 5.628 3.648) 8.998 3.450 ( 0.247 7.539 5.773) 9.499 3.588 ( -6.543 6.671 -6.577) 11.427 3.871 ( 3.039 2.365 4.766) 6.127 4.080 ( 1.430 -4.489 6.456) 7.992 4.164 ( 0.258 4.048 2.580) 4.808 4.321 ( 7.465 -0.837 3.082) 8.119 4.579 ( 2.597 0.804 2.597) 3.759 4.671 ( 1.742 1.812 2.105) 3.279 4.964 ( 3.999 -3.305 2.967) 5.977 5.545 ( -6.713 -10.327 2.366) 12.543 7.914 ( 6.617 3.933 4.254) 8.795 8.750 ( 3.730 -9.002 -3.050) 10.210 9.892 ( -17.828 15.992 2.606) 24.090 10.237 ( -5.557 -1.482 4.235) 7.142 10.436 ( -10.938 -0.155 2.171) 11.152 11.766 ( -19.822 0.818 0.320) 19.841 11.966 ( 12.941 1.848 -4.277) 13.755 12.599 ( 8.965 -4.403 -0.312) 9.992 14.160 ( -6.312 4.547 -1.534) 7.929 14.197 ( 11.173 1.602 6.333) 12.942 15.533 ( 6.242 3.456 3.034) 7.753 16.161 ( 11.199 -8.861 -10.371) 17.649 ======================= Grid point 74 (32/148) ======================= q-point: ( 0.22 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 7.298 5.867 4.257) 10.286 0.727 ( 5.610 4.744 7.904) 10.791 0.875 ( 0.952 4.056 -2.824) 5.033 1.024 ( 1.115 9.278 0.526) 9.359 1.091 ( -0.498 0.840 -0.941) 1.356 1.309 ( 2.814 1.223 0.713) 3.150 1.434 ( 3.040 0.422 0.199) 3.076 1.512 ( 10.157 2.399 11.597) 15.602 1.528 ( -2.683 -0.673 1.663) 3.228 1.848 ( -0.710 -2.360 -1.602) 2.940 1.981 ( 2.630 -1.407 -1.982) 3.581 2.093 ( 1.558 4.232 0.861) 4.591 2.236 ( -0.724 2.121 -1.019) 2.462 2.280 ( 2.828 -0.869 -0.530) 3.005 2.395 ( 3.336 -1.452 1.362) 3.885 2.517 ( 2.937 -2.880 -0.079) 4.115 2.751 ( 0.143 0.226 -3.037) 3.049 2.972 ( -1.710 6.751 -0.519) 6.983 3.231 ( -2.558 11.029 1.881) 11.477 3.330 ( -4.189 0.527 4.529) 6.192 3.431 ( -5.196 8.363 -5.053) 11.067 3.499 ( -0.350 9.578 5.896) 11.253 3.807 ( -7.528 1.299 -4.890) 9.071 4.151 ( -1.696 0.290 6.189) 6.424 4.204 ( 0.670 3.854 5.100) 6.427 4.511 ( 9.534 -3.706 3.173) 10.710 4.672 ( 4.834 2.949 5.770) 8.084 4.723 ( 2.203 -0.457 1.467) 2.686 5.054 ( 3.341 -3.205 2.723) 5.371 5.381 ( -11.607 -5.666 0.271) 12.919 8.114 ( 12.150 2.771 3.520) 12.949 8.811 ( 4.474 -11.601 -1.735) 12.554 9.613 ( -13.023 18.072 -0.212) 22.276 10.122 ( -11.108 -0.821 3.717) 11.742 10.246 ( -11.425 3.787 -0.156) 12.037 11.463 ( -15.613 -2.996 1.762) 15.996 12.149 ( 10.381 1.654 -2.050) 10.710 12.766 ( 9.382 -4.330 -0.219) 10.335 14.021 ( -6.982 7.672 -1.835) 10.534 14.476 ( 13.327 -0.063 7.474) 15.280 15.711 ( 9.212 -0.190 3.822) 9.975 16.162 ( 0.378 -6.660 -11.802) 13.557 ======================= Grid point 75 (33/148) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -1.474 4.403 -1.069) 4.765 0.790 ( 4.878 1.605 3.783) 6.379 1.022 ( 5.930 9.004 5.016) 11.892 1.044 ( -0.133 2.049 -0.536) 2.122 1.051 ( 1.833 6.598 2.191) 7.190 1.330 ( -1.950 6.393 1.299) 6.809 1.451 ( -3.733 -0.940 -0.004) 3.849 1.527 ( 5.473 -0.093 -1.531) 5.684 1.746 ( 5.135 -4.232 6.946) 9.619 1.773 ( -3.006 0.042 -2.184) 3.716 1.968 ( 0.939 -5.256 -2.556) 5.920 2.098 ( -3.286 5.680 0.689) 6.598 2.260 ( 1.106 -3.233 -2.621) 4.307 2.365 ( 4.125 -5.196 -0.063) 6.635 2.461 ( 6.680 -0.360 -1.385) 6.831 2.575 ( 4.042 -2.647 0.147) 4.834 2.721 ( 0.901 7.158 -2.320) 7.578 3.031 ( 4.502 5.788 5.948) 9.442 3.194 ( -2.243 5.872 2.364) 6.716 3.287 ( -5.680 -0.027 2.854) 6.357 3.343 ( -1.966 5.075 -0.207) 5.446 3.493 ( -6.422 8.398 1.843) 10.731 3.640 ( -4.035 7.765 -2.648) 9.143 4.124 ( -4.068 1.535 2.329) 4.933 4.222 ( -1.849 5.612 2.288) 6.336 4.668 ( 6.279 -4.224 0.415) 7.579 4.754 ( 1.478 -1.626 -1.481) 2.650 4.820 ( 5.506 1.680 6.066) 8.363 5.097 ( -1.870 -3.961 -0.712) 4.438 5.170 ( -8.613 -2.287 -3.795) 9.686 8.355 ( 12.179 1.657 -0.549) 12.303 8.859 ( -0.039 -11.493 5.364) 12.683 9.495 ( 1.103 17.307 -1.380) 17.397 9.916 ( -14.130 0.513 2.788) 14.411 10.040 ( -11.389 4.232 -1.462) 12.237 11.245 ( -10.569 -4.476 1.541) 11.581 12.292 ( 6.833 1.680 -0.324) 7.044 12.905 ( 6.532 -4.370 -0.737) 7.893 13.907 ( -4.531 9.048 -0.904) 10.159 14.730 ( 8.993 -2.058 3.904) 10.018 15.876 ( 6.326 -1.301 2.299) 6.855 16.057 ( -1.562 -3.318 -8.784) 9.518 ======================= Grid point 76 (34/148) ======================= q-point: ( 0.44 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -0.078 4.245 0.612) 4.289 0.873 ( 1.879 1.568 0.982) 2.637 0.993 ( -0.710 1.081 -1.180) 1.751 1.095 ( 1.410 7.835 3.112) 8.548 1.144 ( -4.201 9.372 4.036) 11.035 1.338 ( 3.380 0.980 0.334) 3.535 1.349 ( -5.160 7.564 0.050) 9.156 1.627 ( 6.332 -0.736 0.001) 6.374 1.715 ( -0.698 -1.807 1.441) 2.414 1.832 ( -1.256 -4.565 2.875) 5.539 1.936 ( -2.165 -6.602 -6.142) 9.273 2.069 ( -0.247 4.093 1.602) 4.402 2.265 ( 3.060 -4.554 -3.483) 6.499 2.353 ( -1.172 -1.593 -2.098) 2.883 2.568 ( 4.473 -2.707 -2.445) 5.772 2.650 ( 3.082 -1.868 0.469) 3.634 2.755 ( 2.024 3.737 -0.204) 4.255 3.102 ( -13.430 0.825 -0.821) 13.480 3.154 ( 4.290 7.863 0.446) 8.968 3.228 ( 1.677 2.331 4.252) 5.131 3.372 ( -5.017 11.196 4.344) 13.015 3.386 ( 3.728 -0.323 6.737) 7.706 3.626 ( 0.194 10.078 1.453) 10.184 4.069 ( -2.962 2.152 0.492) 3.695 4.193 ( -2.207 7.259 0.366) 7.595 4.715 ( 0.695 0.062 -5.175) 5.222 4.758 ( 0.671 -5.605 -2.401) 6.134 4.886 ( -9.852 -1.375 -8.921) 13.362 4.937 ( 2.421 -1.479 1.780) 3.349 5.107 ( -0.797 -2.432 -5.014) 5.630 8.468 ( 3.125 1.248 -5.738) 6.652 8.955 ( 2.161 -9.288 15.449) 18.155 9.595 ( 9.617 14.647 -2.377) 17.682 9.716 ( -8.864 1.584 1.191) 9.082 9.833 ( -9.818 3.086 -1.352) 10.380 11.118 ( -4.768 -4.623 0.322) 6.649 12.382 ( 2.919 1.875 1.281) 3.698 12.976 ( 2.331 -4.260 -1.387) 5.050 13.856 ( -0.895 9.425 0.343) 9.474 14.801 ( -1.224 -2.791 -4.680) 5.585 15.954 ( 1.069 -1.394 0.486) 1.822 16.029 ( 3.936 -2.035 -1.987) 4.856 ======================= Grid point 77 (35/148) ======================= q-point: (-0.44 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.813 2.073 1.898) 2.926 0.870 ( -3.075 1.153 1.668) 3.684 0.999 ( 1.246 3.027 -1.202) 3.487 1.012 ( -8.232 8.464 -1.378) 11.888 1.087 ( -4.308 9.284 -0.172) 10.237 1.310 ( 1.362 1.073 3.992) 4.352 1.419 ( 2.564 -1.598 1.201) 3.251 1.705 ( -4.639 -2.417 2.179) 5.667 1.765 ( -0.899 1.628 -0.146) 1.865 1.781 ( 1.851 -2.374 3.249) 4.429 1.865 ( 2.101 -1.632 -4.368) 5.114 2.060 ( -1.179 3.424 -1.897) 4.088 2.296 ( 1.453 -5.958 -2.802) 6.743 2.332 ( 0.396 -0.402 -2.276) 2.345 2.574 ( -2.259 -0.349 -3.517) 4.195 2.610 ( -7.201 -0.227 -2.716) 7.700 2.800 ( 4.127 3.929 3.262) 6.566 2.874 ( -6.268 1.724 -3.151) 7.224 3.225 ( 1.017 -0.482 3.221) 3.412 3.295 ( 3.095 1.469 2.115) 4.026 3.362 ( -0.639 8.911 6.110) 10.824 3.529 ( 0.853 10.462 7.062) 12.652 3.687 ( 6.581 3.085 6.055) 9.460 4.030 ( -1.705 2.131 -1.256) 3.004 4.153 ( -2.081 6.492 -1.534) 6.988 4.622 ( -7.478 0.255 -10.523) 12.912 4.642 ( -3.165 1.115 -7.809) 8.499 4.733 ( -2.456 -3.916 -4.811) 6.672 4.964 ( 1.163 -3.924 -5.040) 6.493 5.039 ( -0.811 -2.254 -7.635) 8.002 8.408 ( -5.391 1.940 -3.483) 6.705 9.096 ( -1.398 -11.021 14.084) 17.938 9.613 ( -3.139 10.490 -0.219) 10.952 9.685 ( 3.542 4.469 0.547) 5.729 9.845 ( 11.225 3.643 0.373) 11.807 11.084 ( 1.659 -4.227 -1.822) 4.893 12.414 ( -1.113 2.275 2.892) 3.844 12.963 ( -2.229 -3.674 -2.102) 4.784 13.884 ( 3.099 8.907 1.926) 9.626 14.641 ( -8.741 -1.114 -10.700) 13.861 15.915 ( -5.045 -0.890 -1.207) 5.263 16.149 ( 8.232 -4.215 1.841) 9.430 ======================= Grid point 78 (36/148) ======================= q-point: (-0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -9.391 2.707 1.180) 9.844 0.797 ( -10.976 7.700 1.183) 13.460 0.901 ( 3.419 -1.705 0.706) 3.885 1.006 ( -0.916 6.024 -1.672) 6.319 1.072 ( 2.964 5.839 0.826) 6.600 1.340 ( -2.566 2.044 1.492) 3.604 1.491 ( 2.887 -5.205 4.416) 7.412 1.557 ( -13.096 -0.115 -1.518) 13.184 1.614 ( -7.233 -1.326 0.020) 7.354 1.857 ( 0.823 -4.364 -1.316) 4.631 1.977 ( 4.777 1.565 1.330) 5.200 2.027 ( 3.358 11.108 -1.900) 11.759 2.209 ( -7.747 -3.151 -5.764) 10.157 2.306 ( 0.370 0.509 -1.017) 1.196 2.451 ( -5.092 0.430 -1.594) 5.353 2.526 ( -1.900 -0.283 -2.096) 2.843 2.815 ( 0.162 -1.676 -1.697) 2.391 2.942 ( 6.015 3.198 5.683) 8.872 3.240 ( -1.758 1.157 4.584) 5.044 3.359 ( 2.357 4.088 0.538) 4.749 3.413 ( 0.821 5.345 5.514) 7.723 3.559 ( 0.294 7.689 4.228) 8.779 3.881 ( 2.976 1.017 4.825) 5.760 3.950 ( -1.790 0.184 -3.421) 3.865 4.121 ( 0.926 6.054 0.649) 6.159 4.465 ( -4.901 0.112 -7.563) 9.013 4.516 ( -1.610 4.204 -7.163) 8.460 4.633 ( -3.327 -2.311 -6.343) 7.526 4.914 ( 0.212 -3.493 -9.553) 10.174 4.966 ( -0.355 -1.824 -9.608) 9.786 8.238 ( -11.657 3.183 -0.259) 12.086 9.075 ( -7.526 -8.190 2.622) 11.428 9.683 ( 8.115 3.869 7.633) 11.793 9.830 ( 9.262 1.964 4.057) 10.300 10.070 ( 12.733 5.696 2.281) 14.135 11.150 ( 8.523 -3.165 -4.266) 10.043 12.390 ( -4.618 2.985 4.529) 7.124 12.868 ( -6.230 -2.853 -2.798) 7.401 13.991 ( 6.403 7.813 3.688) 10.754 14.380 ( -10.410 1.052 -10.968) 15.159 15.769 ( -9.447 0.107 -2.434) 9.756 16.296 ( 6.672 -8.020 -0.362) 10.439 ======================= Grid point 79 (37/148) ======================= q-point: (-0.22 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -10.991 4.555 3.195) 12.319 0.590 ( -12.437 6.722 0.671) 14.153 0.963 ( -1.756 7.561 1.072) 7.835 1.028 ( 4.681 -1.498 4.299) 6.530 1.120 ( 0.085 1.164 -0.281) 1.200 1.223 ( -12.093 4.855 -0.834) 13.058 1.313 ( -7.720 7.155 0.681) 10.548 1.502 ( -5.956 2.475 -1.192) 6.560 1.532 ( -3.082 -1.457 0.922) 3.531 1.833 ( 0.594 -5.237 -0.953) 5.356 2.000 ( 0.731 1.398 0.639) 1.702 2.068 ( -2.469 -2.970 -3.800) 5.418 2.166 ( 7.759 4.313 -1.618) 9.024 2.336 ( 2.147 0.945 3.080) 3.872 2.359 ( -3.996 -1.857 -0.897) 4.497 2.476 ( -3.025 -1.404 -0.834) 3.438 2.809 ( -0.014 -3.696 -1.119) 3.861 3.038 ( -0.406 7.267 4.403) 8.507 3.292 ( 5.116 8.126 2.719) 9.980 3.385 ( -0.749 0.187 2.759) 2.865 3.459 ( -1.687 2.333 7.653) 8.177 3.607 ( 2.320 0.426 -0.237) 2.371 3.734 ( -7.151 3.252 -5.595) 9.644 4.031 ( 0.999 -4.245 2.148) 4.861 4.215 ( 3.698 3.424 2.539) 5.644 4.321 ( -1.958 1.981 -0.869) 2.917 4.491 ( 2.193 3.183 -8.356) 9.207 4.571 ( 1.536 2.966 1.528) 3.673 4.823 ( 0.953 4.385 -16.907) 17.492 4.893 ( -0.445 -2.096 -5.014) 5.453 8.029 ( -11.895 4.279 1.969) 12.794 8.938 ( -7.074 -5.070 -1.897) 8.908 9.911 ( 10.707 -0.351 1.826) 10.868 10.036 ( 7.280 -1.756 9.745) 12.290 10.337 ( 12.593 3.522 9.836) 16.363 11.320 ( 15.396 -1.093 -6.149) 16.614 12.331 ( -6.387 4.243 6.228) 9.879 12.715 ( -8.046 -2.245 -3.183) 8.939 14.124 ( -3.331 3.243 -3.455) 5.792 14.161 ( 2.108 5.334 0.405) 5.750 15.576 ( -9.172 2.586 -2.366) 9.819 16.329 ( -1.051 -12.100 -7.973) 14.529 ======================= Grid point 80 (38/148) ======================= q-point: (-0.11 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -8.117 6.134 7.890) 12.875 0.390 ( -9.671 7.890 3.113) 12.864 0.884 ( -11.443 20.313 10.071) 25.397 1.020 ( -4.009 6.753 -1.507) 7.997 1.074 ( -4.276 0.170 -1.814) 4.648 1.142 ( 2.433 -2.678 4.892) 6.084 1.300 ( 2.067 5.554 1.409) 6.092 1.342 ( -6.115 9.235 -5.071) 12.182 1.495 ( -2.121 -0.551 0.591) 2.270 1.827 ( -3.513 -7.109 0.665) 7.958 2.006 ( 0.213 -0.532 -1.663) 1.759 2.043 ( 1.614 -2.663 -0.833) 3.224 2.230 ( 0.606 -3.235 -3.318) 4.673 2.327 ( 1.341 -2.719 1.259) 3.283 2.371 ( -2.797 -1.887 0.709) 3.447 2.457 ( 1.758 2.229 2.507) 3.787 2.792 ( -1.044 -5.145 -0.594) 5.283 3.038 ( -1.587 16.775 3.520) 17.214 3.339 ( -3.832 -2.437 0.792) 4.610 3.421 ( 2.280 7.480 2.621) 8.247 3.460 ( -4.035 2.435 7.727) 9.051 3.622 ( -0.385 3.733 0.814) 3.840 3.661 ( 2.269 -0.485 1.839) 2.961 3.990 ( -3.188 -8.535 -1.961) 9.319 4.227 ( 1.158 0.411 0.577) 1.358 4.324 ( -1.084 1.371 -10.027) 10.179 4.486 ( 2.459 2.837 -2.936) 4.766 4.656 ( -1.168 3.076 -1.153) 3.487 4.828 ( 6.913 1.444 -2.903) 7.636 4.961 ( 19.399 10.663 8.137) 23.584 7.875 ( -7.489 4.763 3.320) 9.476 8.819 ( -4.151 -5.277 -3.105) 7.397 10.064 ( 5.927 3.792 0.967) 7.102 10.197 ( 3.079 -2.850 7.376) 8.486 10.609 ( 3.784 -9.402 15.301) 18.353 11.573 ( 17.917 -0.318 -8.206) 19.709 12.281 ( -4.559 3.359 5.441) 7.853 12.565 ( -5.397 -1.582 -3.549) 6.651 13.996 ( -2.653 2.882 -2.326) 4.556 14.259 ( 0.544 1.714 2.717) 3.258 15.490 ( 3.611 8.648 -1.042) 9.430 16.080 ( -16.769 -8.465 -14.570) 23.773 ======================= Grid point 81 (39/148) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 1.125 9.625 4.209) 10.565 0.586 ( 0.861 10.338 5.303) 11.650 0.979 ( -2.073 -2.939 -2.939) 4.645 1.042 ( 0.420 -0.816 1.354) 1.636 1.129 ( 0.829 0.736 3.205) 3.392 1.272 ( 1.852 -6.715 0.390) 6.976 1.358 ( -2.488 18.175 9.614) 20.711 1.440 ( -1.273 8.709 -4.716) 9.985 1.598 ( 0.413 6.717 2.095) 7.048 1.788 ( 0.758 2.508 0.739) 2.722 1.958 ( -0.464 -1.629 -2.139) 2.728 2.057 ( 2.938 -3.421 2.411) 5.114 2.104 ( -1.713 -3.604 -3.275) 5.162 2.238 ( 0.489 -5.540 1.584) 5.783 2.323 ( 1.749 -0.412 1.748) 2.507 2.589 ( -2.853 5.108 -0.847) 5.912 2.642 ( 1.487 -2.857 0.421) 3.248 3.303 ( -5.354 4.272 0.321) 6.857 3.397 ( 1.416 -1.557 3.812) 4.355 3.523 ( -3.160 1.449 2.644) 4.368 3.637 ( 1.364 10.219 1.610) 10.435 3.775 ( 1.532 12.142 4.634) 13.086 3.857 ( 6.253 5.895 2.439) 8.933 3.884 ( 2.645 4.116 7.098) 8.621 4.205 ( 0.459 -3.596 1.628) 3.974 4.259 ( -0.021 -1.238 -3.759) 3.958 4.567 ( 0.615 3.683 -0.187) 3.738 4.735 ( 0.007 4.815 1.752) 5.123 4.806 ( 2.884 -3.392 -1.034) 4.571 5.284 ( 5.607 -8.229 6.001) 11.626 7.963 ( -1.250 8.086 3.461) 8.884 8.562 ( -3.135 -10.086 0.541) 10.576 10.256 ( 0.383 3.185 2.361) 3.983 10.422 ( 6.023 10.487 -1.141) 12.147 10.537 ( -10.461 6.908 4.697) 13.387 11.746 ( 15.785 -7.761 -9.687) 20.081 12.051 ( -16.426 -2.823 5.355) 17.506 12.417 ( -0.193 -5.501 -2.698) 6.130 14.084 ( 3.847 3.890 2.473) 6.004 14.240 ( -0.668 -0.384 1.661) 1.831 15.666 ( -3.414 4.651 -4.387) 7.248 15.862 ( 6.697 -2.700 -0.092) 7.221 ======================= Grid point 82 (40/148) ======================= q-point: ( 0.11 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 5.888 6.627 5.268) 10.312 0.676 ( 5.114 8.761 4.913) 11.271 0.913 ( -3.168 -3.865 -1.814) 5.316 1.085 ( 3.638 2.544 -0.918) 4.533 1.160 ( 0.750 0.195 2.262) 2.391 1.330 ( 3.361 -3.929 1.863) 5.496 1.392 ( 0.340 6.756 -2.215) 7.118 1.436 ( 0.828 13.730 9.053) 16.467 1.626 ( -0.065 5.751 2.468) 6.259 1.797 ( -0.223 0.773 1.311) 1.538 1.951 ( 1.985 -1.292 -3.455) 4.189 2.070 ( 0.386 -1.802 -0.771) 1.997 2.112 ( 2.045 -6.479 0.547) 6.816 2.276 ( 2.159 -3.323 0.694) 4.023 2.382 ( 2.956 -2.076 0.314) 3.626 2.508 ( -4.061 3.271 -2.150) 5.640 2.698 ( 3.360 3.251 3.339) 5.746 3.189 ( -7.379 2.788 0.331) 7.896 3.387 ( -2.632 0.768 0.726) 2.836 3.490 ( -3.985 -0.144 1.924) 4.428 3.650 ( -2.645 13.285 2.200) 13.723 3.809 ( 0.559 11.698 0.788) 11.737 3.961 ( 2.313 7.653 0.348) 8.002 4.047 ( 5.442 2.570 10.326) 11.952 4.230 ( 0.123 0.091 -0.572) 0.592 4.264 ( 4.667 -3.237 2.813) 6.338 4.608 ( 2.608 2.893 4.345) 5.835 4.746 ( 0.130 5.125 1.543) 5.354 4.880 ( 3.866 -4.386 3.517) 6.824 5.334 ( -4.386 -9.968 5.274) 12.100 8.026 ( 5.291 6.731 3.523) 9.259 8.549 ( 1.392 -9.890 -0.328) 9.993 10.213 ( -9.357 6.378 2.088) 11.515 10.309 ( -14.003 12.243 2.902) 18.825 10.452 ( -1.926 5.341 -1.719) 5.932 11.650 ( -18.005 -12.211 -2.323) 21.879 12.030 ( 11.030 4.806 -2.051) 12.205 12.487 ( 8.540 -6.518 -0.788) 10.772 14.238 ( 9.319 2.358 5.416) 11.033 14.246 ( -0.358 3.224 -0.197) 3.250 15.619 ( 1.846 4.699 0.328) 5.059 15.985 ( 6.345 -7.803 -4.049) 10.842 ======================= Grid point 83 (41/148) ======================= q-point: ( 0.22 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 3.622 5.839 4.765) 8.361 0.833 ( 1.482 3.057 2.743) 4.366 0.893 ( 8.718 1.870 1.713) 9.079 1.105 ( -1.363 0.870 -0.023) 1.617 1.212 ( 4.711 2.293 -2.653) 5.873 1.384 ( 0.752 6.940 -1.494) 7.139 1.411 ( 4.295 -3.242 1.388) 5.557 1.507 ( -1.304 4.439 7.372) 8.703 1.656 ( 0.012 8.083 6.324) 10.263 1.796 ( -0.029 -2.544 0.190) 2.551 1.937 ( -1.008 -1.893 -5.001) 5.442 2.127 ( 4.521 -2.418 1.005) 5.225 2.157 ( 3.963 -4.576 0.345) 6.064 2.269 ( -3.373 -2.227 -1.532) 4.323 2.427 ( -0.034 -5.181 -0.957) 5.269 2.449 ( 2.837 2.825 -2.150) 4.545 2.798 ( 3.720 5.772 3.460) 7.689 3.092 ( -3.922 3.628 3.771) 6.540 3.335 ( -3.700 0.240 0.300) 3.720 3.398 ( -6.699 1.026 0.305) 6.784 3.590 ( -5.126 10.506 -0.062) 11.690 3.809 ( -0.430 14.193 -0.144) 14.200 3.931 ( -3.147 12.762 -2.311) 13.346 4.168 ( 0.487 1.475 5.731) 5.938 4.269 ( 1.663 0.872 4.499) 4.875 4.398 ( 7.726 -6.435 1.386) 10.150 4.711 ( 3.266 2.373 5.334) 6.689 4.773 ( 1.853 4.243 2.786) 5.404 4.974 ( 2.913 -4.189 3.933) 6.442 5.242 ( -8.752 -7.601 2.563) 11.872 8.192 ( 10.154 4.672 3.343) 11.667 8.594 ( 3.181 -9.279 0.726) 9.836 9.969 ( -14.336 13.820 0.526) 19.920 10.141 ( -11.121 2.312 2.664) 11.667 10.354 ( -6.713 8.836 -2.544) 11.384 11.328 ( -15.828 -10.531 -0.768) 19.027 12.209 ( 10.147 4.355 -1.568) 11.153 12.650 ( 9.257 -6.776 0.004) 11.472 14.202 ( -3.191 8.909 -1.296) 9.551 14.472 ( 10.911 -0.552 5.791) 12.365 15.717 ( 6.871 1.111 2.072) 7.262 16.009 ( 1.492 -7.582 -6.278) 9.956 ======================= Grid point 84 (42/148) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -0.867 3.348 2.540) 4.291 0.892 ( 4.133 6.781 1.855) 8.155 1.058 ( -2.579 0.583 -0.519) 2.694 1.125 ( 9.963 2.778 2.951) 10.755 1.267 ( 4.449 5.230 -1.036) 6.944 1.395 ( 2.057 0.030 -0.866) 2.232 1.471 ( -2.219 3.498 1.337) 4.353 1.536 ( 2.692 4.041 3.660) 6.080 1.683 ( -1.055 -1.911 3.389) 4.031 1.810 ( -1.822 3.637 -0.156) 4.070 1.862 ( -1.271 -3.335 -2.139) 4.161 2.145 ( -1.687 -4.410 -0.617) 4.762 2.180 ( -2.788 -3.326 -2.264) 4.895 2.269 ( 3.501 -3.295 1.409) 5.010 2.415 ( 3.197 -3.560 -1.701) 5.078 2.531 ( 5.280 -1.916 -0.924) 5.692 2.845 ( 0.584 5.992 0.195) 6.024 3.124 ( -0.992 1.227 9.907) 10.031 3.267 ( -2.862 -0.476 -2.432) 3.786 3.318 ( -2.111 1.439 3.220) 4.110 3.472 ( -5.608 11.139 -3.476) 12.946 3.774 ( -4.452 16.436 0.580) 17.038 3.875 ( -1.171 13.492 -0.287) 13.546 4.172 ( -2.319 2.788 1.826) 4.060 4.323 ( 0.923 2.621 2.644) 3.836 4.525 ( 5.753 -8.419 -0.424) 10.206 4.755 ( 0.788 1.671 -0.718) 1.982 4.861 ( 2.814 2.167 4.646) 5.848 5.010 ( -3.288 -4.123 1.008) 5.368 5.097 ( -5.753 -4.699 -2.032) 7.701 8.400 ( 10.144 2.675 0.929) 10.532 8.665 ( 2.281 -7.535 5.997) 9.896 9.793 ( -5.392 10.015 0.209) 11.376 9.940 ( -12.920 1.422 1.862) 13.131 10.198 ( -7.689 12.304 -4.100) 15.077 11.098 ( -9.580 -9.913 -0.972) 13.820 12.353 ( 6.746 4.397 0.183) 8.055 12.790 ( 6.230 -6.716 0.154) 9.162 14.135 ( -2.804 12.268 -1.160) 12.638 14.668 ( 6.695 -4.008 2.617) 8.230 15.849 ( 5.765 -1.066 1.254) 5.996 15.974 ( 0.500 -4.363 -4.963) 6.627 ======================= Grid point 85 (43/148) ======================= q-point: ( 0.44 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -1.259 4.778 0.689) 4.989 0.957 ( 0.681 5.667 3.095) 6.493 1.024 ( 0.065 1.996 -1.742) 2.650 1.220 ( 2.001 -0.287 0.612) 2.112 1.347 ( 2.690 6.175 -2.625) 7.229 1.375 ( -7.034 8.618 -1.182) 11.187 1.468 ( 1.599 1.059 2.870) 3.452 1.607 ( 3.495 0.310 0.844) 3.609 1.685 ( 0.090 -0.454 2.460) 2.503 1.755 ( -1.208 -3.608 -1.902) 4.254 1.849 ( -1.514 1.684 2.523) 3.391 2.108 ( -1.574 -1.884 2.461) 3.476 2.150 ( 1.400 -6.241 -4.778) 7.984 2.290 ( -0.144 -5.017 0.724) 5.071 2.500 ( 4.907 -2.648 0.047) 5.576 2.593 ( 1.690 -3.328 0.232) 3.740 2.852 ( 0.283 5.194 0.168) 5.205 3.102 ( -8.110 -0.821 2.731) 8.596 3.225 ( 0.187 -0.767 -2.978) 3.081 3.280 ( -3.098 0.122 -0.152) 3.104 3.495 ( 6.511 12.076 7.193) 15.490 3.694 ( -4.287 18.906 2.409) 19.535 3.865 ( -0.208 10.670 -0.757) 10.699 4.140 ( -2.036 4.264 0.468) 4.749 4.332 ( -1.055 5.085 -0.735) 5.244 4.584 ( 1.673 -9.507 -1.619) 9.788 4.743 ( 0.096 1.504 -4.449) 4.697 4.854 ( -8.443 -1.379 -5.572) 10.210 4.906 ( -0.232 -1.204 0.677) 1.400 5.037 ( -0.947 -4.165 -5.159) 6.697 8.506 ( 2.166 2.519 -1.886) 3.820 8.787 ( 2.580 -7.037 12.801) 14.834 9.746 ( -6.216 2.080 1.385) 6.699 9.781 ( -0.692 2.300 0.140) 2.406 10.051 ( -3.123 17.412 -6.042) 18.694 10.973 ( -3.419 -9.426 -2.067) 10.238 12.446 ( 2.906 4.509 1.993) 5.722 12.865 ( 2.187 -6.340 0.185) 6.709 14.097 ( -0.589 13.157 -0.673) 13.187 14.718 ( -0.792 -5.284 -3.555) 6.418 15.920 ( 1.596 -1.558 0.114) 2.233 15.977 ( 2.705 -2.858 -1.249) 4.128 ======================= Grid point 86 (44/148) ======================= q-point: (-0.44 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -1.630 1.961 -0.152) 2.555 0.952 ( -4.302 5.974 1.183) 7.456 1.009 ( -0.387 -0.799 -2.044) 2.228 1.202 ( -7.113 6.571 -3.591) 10.328 1.295 ( 2.127 -0.239 5.049) 5.484 1.330 ( -2.297 11.168 -3.460) 11.915 1.431 ( -1.029 2.111 -0.290) 2.366 1.621 ( -6.573 -5.468 -1.230) 8.638 1.722 ( 0.490 -2.626 -4.126) 4.915 1.742 ( 1.183 0.530 7.219) 7.335 1.901 ( 4.266 3.638 3.266) 6.488 2.127 ( 1.941 -0.420 1.582) 2.539 2.158 ( 2.730 -5.385 -2.997) 6.741 2.287 ( -1.142 -5.132 0.000) 5.257 2.543 ( -1.339 -1.885 0.840) 2.460 2.591 ( -2.047 -1.282 0.638) 2.498 2.860 ( -1.201 2.523 0.276) 2.808 2.935 ( -4.860 2.719 -3.902) 6.799 3.219 ( 0.825 0.111 0.061) 0.834 3.297 ( 2.545 -1.056 2.234) 3.547 3.609 ( -1.023 10.573 6.169) 12.283 3.757 ( 7.382 14.969 5.962) 17.723 3.852 ( -0.064 9.779 -1.199) 9.853 4.104 ( -2.363 4.684 -1.374) 5.423 4.261 ( -4.458 3.686 -4.078) 7.078 4.550 ( -3.641 -7.808 -3.568) 9.325 4.679 ( -2.368 2.410 -8.109) 8.785 4.707 ( -2.211 1.833 -5.156) 5.902 4.873 ( -1.105 -4.306 -4.529) 6.346 4.970 ( -0.603 -4.240 -7.750) 8.855 8.471 ( -5.174 4.145 0.062) 6.630 8.890 ( -3.234 -9.128 13.277) 16.434 9.706 ( 2.376 2.815 -0.350) 3.700 9.788 ( 1.104 1.787 -0.046) 2.101 10.058 ( 8.400 15.958 -4.322) 18.544 10.947 ( 2.953 -9.224 -3.689) 10.364 12.484 ( -1.081 4.614 3.757) 6.048 12.867 ( -2.127 -5.570 0.014) 5.962 14.109 ( 2.270 12.110 0.201) 12.323 14.603 ( -6.362 -2.763 -8.072) 10.643 15.895 ( -4.012 -0.772 -0.890) 4.181 16.044 ( 4.274 -5.439 0.918) 6.977 ======================= Grid point 87 (45/148) ======================= q-point: (-0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -3.679 2.025 0.539) 4.234 0.855 ( -4.162 -0.132 -0.820) 4.244 0.923 ( -7.007 2.440 -3.594) 8.245 1.097 ( -2.179 4.864 1.112) 5.444 1.249 ( -3.707 5.993 -2.788) 7.578 1.408 ( 4.818 -1.536 5.230) 7.275 1.437 ( -1.154 7.489 0.741) 7.613 1.485 ( -5.397 -5.321 -1.695) 7.767 1.647 ( -4.649 2.381 -0.830) 5.289 1.789 ( -0.864 -0.369 2.201) 2.393 1.987 ( 3.032 -0.135 1.400) 3.342 2.136 ( -3.286 -3.317 -3.306) 5.721 2.181 ( -0.103 0.226 -2.537) 2.549 2.272 ( 2.788 -2.639 1.739) 4.214 2.482 ( -5.384 0.410 -0.966) 5.486 2.529 ( -4.421 2.989 1.842) 5.645 2.780 ( -2.344 -0.743 -3.036) 3.907 2.982 ( 5.141 0.219 3.096) 6.005 3.263 ( 3.503 0.939 2.264) 4.276 3.377 ( 4.123 -1.510 2.389) 4.999 3.630 ( -0.698 12.332 3.068) 12.727 3.809 ( -1.798 14.029 -0.537) 14.154 3.935 ( 4.389 5.135 2.974) 7.381 3.990 ( -6.397 3.456 -6.818) 9.967 4.203 ( 1.408 2.486 -0.090) 2.858 4.406 ( -7.550 -6.149 -5.948) 11.410 4.594 ( -0.741 2.405 -7.881) 8.273 4.645 ( -1.261 3.719 -2.015) 4.414 4.838 ( 2.008 -3.573 -5.286) 6.689 4.907 ( 1.026 -3.640 -9.199) 9.946 8.334 ( -10.678 6.134 2.002) 12.476 8.873 ( -8.196 -10.429 9.292) 16.195 9.796 ( 8.196 5.559 0.218) 9.906 9.887 ( 9.398 3.002 0.399) 9.874 10.222 ( 11.386 9.814 -1.078) 15.070 11.024 ( 9.877 -9.218 -5.249) 14.494 12.467 ( -4.759 4.367 5.331) 8.375 12.791 ( -6.227 -4.584 -0.448) 7.745 14.176 ( 4.302 9.164 1.401) 10.220 14.404 ( -8.284 0.974 -8.522) 11.924 15.780 ( -7.351 1.195 -1.619) 7.621 16.108 ( 1.949 -9.316 -0.149) 9.519 ======================= Grid point 88 (46/148) ======================= q-point: (-0.22 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -7.633 6.239 0.797) 9.891 0.713 ( -9.446 5.966 -1.055) 11.222 0.917 ( 4.320 -4.950 2.945) 7.200 1.089 ( -0.083 1.062 -0.237) 1.091 1.149 ( -5.517 0.475 -1.948) 5.870 1.342 ( -4.761 -5.001 -2.198) 7.246 1.428 ( -4.514 13.764 1.809) 14.598 1.524 ( 2.196 1.481 4.163) 4.934 1.606 ( -1.072 7.050 3.816) 8.088 1.757 ( -1.630 -1.538 -2.311) 3.219 2.005 ( -3.583 -2.634 -4.188) 6.109 2.032 ( -0.690 0.810 1.186) 1.594 2.158 ( 0.942 -4.806 -2.939) 5.712 2.304 ( -3.668 -4.378 -1.330) 5.865 2.420 ( -0.997 4.304 1.526) 4.674 2.479 ( -1.253 4.967 1.897) 5.463 2.722 ( -2.456 -3.559 -1.764) 4.670 3.111 ( 5.762 -0.462 5.270) 7.822 3.369 ( 5.032 -0.344 2.977) 5.856 3.464 ( 3.197 -0.897 2.729) 4.298 3.614 ( -1.651 13.859 -1.402) 14.027 3.761 ( -2.511 14.524 -0.843) 14.764 3.833 ( -4.854 5.165 -5.208) 8.795 3.964 ( -2.445 0.093 -0.280) 2.463 4.213 ( -1.824 -2.257 -3.778) 4.764 4.290 ( -0.536 -4.183 -0.125) 4.219 4.550 ( 1.880 3.771 -3.906) 5.746 4.650 ( 1.714 2.903 1.753) 3.799 4.836 ( 0.376 -3.018 -4.330) 5.291 4.901 ( 7.683 1.619 -7.052) 10.553 8.155 ( -11.111 7.780 3.068) 13.907 8.767 ( -9.265 -10.329 4.955) 14.733 9.992 ( 12.334 6.504 1.014) 13.980 10.071 ( 10.005 3.692 1.292) 10.743 10.417 ( 9.836 5.987 1.972) 11.683 11.214 ( 16.684 -9.216 -6.549) 20.154 12.400 ( -8.100 2.744 6.326) 10.638 12.653 ( -8.425 -3.877 -0.859) 9.314 14.198 ( -6.679 3.877 -5.449) 9.451 14.265 ( 1.857 3.750 1.414) 4.417 15.649 ( -4.924 4.468 -1.159) 6.750 16.086 ( -3.483 -10.669 -3.460) 11.745 ======================= Grid point 89 (47/148) ======================= q-point: (-0.11 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -4.670 8.460 4.478) 10.651 0.586 ( -4.465 10.582 1.574) 11.593 1.016 ( 2.088 -5.294 2.306) 6.141 1.048 ( -3.224 -0.556 -1.243) 3.500 1.088 ( 0.376 -0.759 0.963) 1.282 1.271 ( -1.554 -5.919 -1.167) 6.230 1.366 ( -5.047 19.229 6.148) 20.809 1.514 ( -2.969 6.306 -2.638) 7.452 1.606 ( -2.731 7.845 2.799) 8.766 1.752 ( 2.230 -0.193 0.115) 2.241 1.978 ( 2.226 -2.940 -0.796) 3.773 2.003 ( -1.462 -0.460 -1.132) 1.905 2.167 ( 0.073 -4.291 -3.681) 5.654 2.223 ( -2.449 -5.939 2.332) 6.835 2.345 ( -4.830 0.805 0.166) 4.899 2.558 ( 4.066 6.818 2.653) 8.370 2.668 ( -2.204 -5.628 -1.660) 6.268 3.264 ( 6.024 0.056 6.811) 9.093 3.397 ( -3.231 2.812 -1.466) 4.528 3.523 ( 0.718 -1.126 3.657) 3.893 3.623 ( 2.669 11.858 2.081) 12.332 3.721 ( -3.411 10.242 0.642) 10.814 3.759 ( 1.971 8.392 0.465) 8.633 3.890 ( -3.384 2.927 -1.150) 4.619 4.191 ( 0.353 -3.302 0.539) 3.364 4.278 ( 0.106 -3.989 -2.294) 4.602 4.564 ( 1.636 3.713 -2.752) 4.903 4.704 ( 1.306 1.264 3.283) 3.753 4.804 ( 1.141 -0.895 -6.218) 6.385 5.073 ( 12.175 -0.186 3.149) 12.577 8.014 ( -7.338 8.476 3.416) 11.720 8.646 ( -7.253 -10.273 2.257) 12.777 10.180 ( 6.746 4.418 1.357) 8.177 10.263 ( 10.990 7.818 0.741) 13.507 10.565 ( 2.809 4.701 4.591) 7.146 11.487 ( 19.798 -8.408 -8.094) 22.982 12.268 ( -12.473 -1.501 5.683) 13.789 12.508 ( -6.672 -4.356 -1.395) 8.089 14.075 ( -2.984 4.497 -1.799) 5.689 14.269 ( -2.860 -0.601 1.436) 3.256 15.637 ( 4.457 5.814 -0.439) 7.339 15.936 ( -8.571 -5.695 -5.126) 11.497 ======================= Grid point 90 (48/148) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -0.737 8.323 2.200) 8.641 0.807 ( 1.208 10.762 1.617) 10.949 0.878 ( -2.925 -6.234 -0.062) 6.887 1.005 ( 0.829 -6.010 1.521) 6.255 1.095 ( 1.852 -1.111 1.851) 2.844 1.129 ( 3.810 -4.215 3.718) 6.790 1.575 ( -1.172 5.429 -2.821) 6.229 1.642 ( -0.562 0.372 -0.341) 0.755 1.746 ( -0.451 13.048 4.330) 13.755 1.857 ( 0.628 3.725 -1.236) 3.975 1.934 ( -0.592 -1.049 -1.716) 2.097 1.956 ( 0.899 -5.211 1.255) 5.435 2.043 ( -2.241 -2.165 0.067) 3.117 2.095 ( 2.262 -7.246 2.248) 7.917 2.379 ( 0.569 4.792 -0.744) 4.882 2.491 ( -0.314 -5.993 -2.398) 6.463 2.844 ( 0.811 14.007 4.673) 14.788 3.153 ( -0.776 -14.765 4.876) 15.568 3.402 ( -1.603 2.721 0.941) 3.296 3.471 ( -1.653 -3.841 1.885) 4.587 3.839 ( 2.818 8.873 0.980) 9.361 3.951 ( 6.101 0.520 2.637) 6.667 4.013 ( -1.081 7.282 1.330) 7.481 4.067 ( 1.240 8.880 4.300) 9.944 4.124 ( -0.148 -3.175 1.314) 3.440 4.201 ( 1.647 -4.006 1.340) 4.534 4.633 ( 1.738 3.314 0.061) 3.743 4.714 ( 2.431 -3.889 1.300) 4.767 4.897 ( 0.037 9.173 2.297) 9.456 5.101 ( 1.568 -9.841 5.193) 11.237 8.148 ( -2.210 9.718 2.871) 10.371 8.353 ( -3.089 -10.183 2.081) 10.843 10.333 ( 0.656 4.099 0.811) 4.230 10.412 ( 1.100 -3.345 0.204) 3.527 10.951 ( 0.246 23.854 -0.889) 23.872 11.424 ( 5.672 -21.092 -4.388) 22.278 12.111 ( -5.934 6.767 1.777) 9.174 12.272 ( -2.043 -8.114 -0.811) 8.407 14.162 ( 2.566 3.484 2.166) 4.839 14.218 ( 1.032 -1.891 1.941) 2.900 15.743 ( -0.954 3.260 -2.176) 4.034 15.806 ( 2.008 -2.879 -0.909) 3.626 ======================= Grid point 91 (49/148) ======================= q-point: ( 0.11 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 2.190 4.112 3.077) 5.583 0.828 ( -2.310 -3.313 1.426) 4.283 0.871 ( 4.692 9.084 1.200) 10.295 1.056 ( 3.571 -7.775 0.617) 8.578 1.154 ( 2.413 3.479 2.535) 4.935 1.237 ( 3.814 -4.342 4.290) 7.198 1.537 ( -0.692 6.361 -1.948) 6.688 1.618 ( -1.735 0.203 -0.941) 1.984 1.779 ( 0.464 8.746 3.966) 9.615 1.837 ( -1.690 3.071 -0.073) 3.506 1.924 ( 1.495 -0.485 -2.573) 3.015 1.986 ( 0.956 -4.846 1.968) 5.317 2.041 ( 1.300 0.056 0.903) 1.584 2.149 ( 1.838 -8.577 1.672) 8.930 2.393 ( 1.547 3.039 -2.474) 4.213 2.469 ( 0.303 -3.849 -4.120) 5.646 2.901 ( 0.804 12.730 6.768) 14.439 3.139 ( -4.573 -8.604 4.871) 10.894 3.378 ( -2.156 1.043 0.758) 2.512 3.435 ( -3.625 -3.647 0.909) 5.221 3.878 ( -0.121 9.541 -1.747) 9.700 3.997 ( -0.593 4.271 -0.600) 4.354 4.079 ( 5.492 -1.335 2.568) 6.208 4.126 ( 0.729 -1.429 5.913) 6.127 4.162 ( 2.563 5.413 4.213) 7.322 4.253 ( 2.504 -1.510 2.173) 3.643 4.695 ( 3.294 4.997 4.612) 7.556 4.791 ( 3.563 -4.194 4.682) 7.225 4.898 ( -2.143 9.804 3.182) 10.527 5.122 ( -3.559 -10.984 5.256) 12.686 8.180 ( 3.457 8.137 2.501) 9.188 8.355 ( 1.834 -8.974 1.266) 9.247 10.294 ( -6.314 3.550 1.446) 7.386 10.356 ( -8.078 -2.194 1.102) 8.443 10.837 ( -9.544 23.591 -1.969) 25.525 11.302 ( -13.381 -20.739 -2.407) 24.798 12.162 ( 9.039 7.802 -0.891) 11.974 12.333 ( 8.302 -8.345 -0.777) 11.797 14.279 ( 7.345 1.434 3.819) 8.402 14.288 ( 4.076 0.759 2.006) 4.606 15.723 ( 0.910 5.398 -1.058) 5.576 15.842 ( 2.663 -6.292 -1.965) 7.109 ======================= Grid point 92 (50/148) ======================= q-point: ( 0.22 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 1.240 1.353 3.858) 4.273 0.859 ( 5.455 -0.733 4.347) 7.013 0.985 ( 6.916 6.682 1.327) 9.708 1.106 ( 0.667 -3.187 0.422) 3.283 1.215 ( 4.670 1.877 -1.952) 5.399 1.298 ( 1.365 -5.147 -0.635) 5.362 1.535 ( 0.475 5.442 1.923) 5.791 1.605 ( 0.070 0.606 3.416) 3.470 1.773 ( -2.585 3.829 -2.016) 5.041 1.842 ( 0.597 4.544 4.940) 6.738 1.919 ( 0.258 1.918 -4.023) 4.464 2.018 ( 0.822 -4.647 1.422) 4.929 2.094 ( 2.683 -1.656 1.149) 3.356 2.174 ( -0.652 -8.036 1.204) 8.152 2.386 ( 0.767 2.222 -3.417) 4.148 2.445 ( 1.595 -2.427 -4.364) 5.242 2.962 ( 0.030 8.613 5.465) 10.201 3.098 ( -3.913 -3.507 5.772) 7.806 3.329 ( -3.739 0.309 0.109) 3.753 3.365 ( -4.821 -2.655 1.186) 5.630 3.819 ( -3.195 11.374 -2.720) 12.123 3.976 ( -0.665 0.253 -1.749) 1.888 4.180 ( 2.452 1.195 1.378) 3.057 4.191 ( 2.366 -3.818 3.441) 5.658 4.216 ( 0.673 8.252 2.575) 8.670 4.326 ( 3.749 -2.285 2.578) 5.092 4.801 ( 2.261 5.418 7.347) 9.404 4.876 ( -0.693 4.762 2.716) 5.526 4.897 ( 1.814 -1.437 4.990) 5.501 5.067 ( -6.112 -9.497 3.371) 11.787 8.300 ( 7.453 5.747 2.827) 9.827 8.429 ( 4.801 -7.008 1.997) 8.727 10.129 ( -13.282 3.822 1.720) 13.927 10.171 ( -12.849 -0.267 1.508) 12.940 10.660 ( -7.669 18.819 -3.404) 20.605 11.039 ( -12.533 -17.071 -2.498) 21.324 12.330 ( 9.639 7.319 -0.616) 12.118 12.494 ( 9.275 -8.205 -0.038) 12.383 14.358 ( 2.237 5.978 0.731) 6.425 14.443 ( 7.222 -2.509 3.376) 8.358 15.765 ( 4.120 3.689 -0.067) 5.530 15.867 ( 2.344 -6.098 -2.561) 7.017 ======================= Grid point 93 (51/148) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 2.333 5.553 4.178) 7.331 0.998 ( 5.572 -1.184 3.812) 6.854 1.065 ( -1.347 3.400 0.160) 3.661 1.134 ( 4.478 -1.347 -0.669) 4.724 1.269 ( 4.064 -0.017 -2.087) 4.569 1.332 ( 5.092 -5.318 -2.892) 7.911 1.568 ( 0.614 4.717 2.810) 5.525 1.642 ( -1.064 -2.583 2.770) 3.934 1.720 ( -0.652 10.104 0.702) 10.150 1.853 ( -1.205 -0.020 -4.686) 4.839 1.912 ( -0.257 5.514 6.081) 8.212 2.027 ( -0.018 -4.744 -1.143) 4.879 2.076 ( -4.261 -3.937 -1.532) 6.000 2.160 ( -1.574 -7.738 0.796) 7.937 2.408 ( 4.074 2.656 -0.819) 4.932 2.476 ( 3.802 -3.394 -1.472) 5.305 2.975 ( -1.340 6.397 2.160) 6.884 3.090 ( -2.845 -4.238 5.529) 7.525 3.260 ( -3.590 0.807 -0.118) 3.682 3.296 ( -4.083 -2.189 1.569) 4.891 3.762 ( -0.641 14.436 -1.606) 14.539 3.956 ( -0.269 -0.981 -1.125) 1.517 4.141 ( -4.221 8.000 -1.307) 9.139 4.226 ( -0.865 -0.038 1.845) 2.038 4.292 ( 4.283 1.131 1.816) 4.788 4.404 ( 2.736 -4.259 1.391) 5.250 4.825 ( -2.070 5.137 0.904) 5.612 4.905 ( 0.411 1.755 2.810) 3.338 4.934 ( -3.749 -3.233 2.864) 5.720 4.986 ( -2.095 -5.489 -0.936) 5.949 8.462 ( 7.481 3.331 2.948) 8.703 8.542 ( 4.751 -4.699 4.974) 8.330 9.916 ( -10.962 3.279 1.459) 11.534 9.953 ( -12.421 -0.470 1.325) 12.500 10.516 ( -4.964 16.928 -5.104) 18.365 10.845 ( -7.046 -14.563 -3.538) 16.561 12.474 ( 6.486 7.250 0.758) 9.757 12.636 ( 6.245 -8.078 0.775) 10.239 14.376 ( 0.065 10.656 -0.558) 10.671 14.558 ( 3.540 -6.992 0.902) 7.888 15.846 ( 4.416 1.006 0.015) 4.529 15.892 ( 2.538 -3.357 -1.867) 4.604 ======================= Grid point 94 (52/148) ======================= q-point: ( 0.44 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -2.392 6.160 -1.063) 6.693 1.020 ( -1.985 -2.099 -1.508) 3.259 1.101 ( 1.648 5.874 2.562) 6.617 1.181 ( 3.453 -1.722 1.847) 4.277 1.344 ( 1.799 -2.996 -0.899) 3.608 1.380 ( 2.336 -4.213 -3.188) 5.776 1.573 ( -1.503 4.128 -0.837) 4.472 1.620 ( -0.839 -0.935 -1.072) 1.651 1.750 ( -0.269 7.970 4.360) 9.089 1.798 ( -0.481 6.453 -2.179) 6.828 1.953 ( -0.052 3.450 5.568) 6.551 1.996 ( -1.044 -2.647 -1.384) 3.165 2.019 ( 0.098 -7.529 -0.652) 7.558 2.145 ( -0.554 -8.508 1.304) 8.626 2.485 ( 3.416 1.004 1.693) 3.943 2.527 ( 1.685 -2.847 1.259) 3.540 2.960 ( -1.681 5.211 0.333) 5.486 3.056 ( -4.505 -3.819 1.021) 5.994 3.216 ( -0.881 0.707 -0.190) 1.146 3.249 ( -1.872 -2.103 1.022) 2.995 3.774 ( 1.605 13.006 0.817) 13.130 3.947 ( 0.080 -1.542 -1.127) 1.911 4.064 ( -2.079 12.731 -0.778) 12.923 4.218 ( -1.307 0.520 1.785) 2.272 4.356 ( 1.700 -1.132 -0.526) 2.109 4.423 ( -1.381 -4.819 -0.317) 5.023 4.783 ( -1.541 2.419 -3.208) 4.303 4.829 ( -5.281 -1.565 -2.622) 6.101 4.900 ( -2.088 0.885 -2.078) 3.076 4.950 ( -1.331 -3.821 -4.392) 5.972 8.571 ( 1.872 3.817 3.290) 5.376 8.663 ( 2.253 -5.177 8.572) 10.264 9.782 ( -5.820 1.375 0.958) 6.057 9.798 ( -4.505 -0.126 0.564) 4.542 10.417 ( -0.764 17.165 -6.694) 18.440 10.735 ( -1.758 -13.699 -4.902) 14.655 12.566 ( 2.647 7.020 2.293) 7.845 12.720 ( 2.319 -7.622 1.593) 8.125 14.363 ( -0.384 12.164 -1.608) 12.276 14.578 ( -0.431 -8.627 -2.507) 8.995 15.902 ( 1.766 0.001 -0.223) 1.780 15.924 ( 1.939 -2.024 -0.607) 2.868 ======================= Grid point 95 (53/148) ======================= q-point: (-0.44 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -4.013 4.135 -2.857) 6.432 0.934 ( -4.526 -4.708 -4.881) 8.153 1.118 ( -2.476 8.274 2.431) 8.973 1.261 ( -5.164 -4.338 2.082) 7.059 1.293 ( 3.461 4.102 0.024) 5.367 1.404 ( 2.129 -5.635 -1.240) 6.150 1.478 ( -5.797 4.234 -4.568) 8.509 1.548 ( -5.234 -2.408 -2.779) 6.397 1.770 ( 0.085 7.300 -1.763) 7.510 1.828 ( 2.007 5.410 5.548) 8.005 1.983 ( -0.446 2.823 -0.832) 2.977 2.022 ( 2.978 -3.604 4.242) 6.313 2.077 ( 5.085 -5.050 2.738) 7.672 2.147 ( -0.991 -7.488 1.022) 7.622 2.529 ( -1.081 0.587 3.086) 3.322 2.557 ( 0.233 -1.819 2.632) 3.208 2.916 ( -3.035 2.698 -1.829) 4.453 2.955 ( -3.743 -0.710 -3.198) 4.974 3.228 ( 1.832 1.026 0.427) 2.143 3.262 ( 2.010 -2.048 1.592) 3.282 3.806 ( 0.707 9.180 2.118) 9.448 3.938 ( 0.528 -2.132 -1.880) 2.891 4.085 ( 3.436 13.641 0.481) 14.075 4.202 ( -2.302 3.523 0.062) 4.209 4.307 ( -5.129 0.423 -2.890) 5.903 4.372 ( -2.928 -8.009 -2.720) 8.951 4.724 ( -1.660 1.493 -5.696) 6.118 4.737 ( -1.453 0.323 -4.031) 4.297 4.822 ( -2.408 0.323 -5.506) 6.018 4.879 ( -1.034 -4.216 -7.226) 8.430 8.577 ( -4.778 6.143 4.796) 9.141 8.719 ( -4.235 -7.634 9.615) 12.987 9.760 ( 3.305 2.267 -0.038) 4.008 9.793 ( 3.451 -0.851 0.133) 3.557 10.400 ( 4.970 16.429 -6.921) 18.508 10.711 ( 3.861 -13.570 -5.986) 15.326 12.600 ( -1.477 6.480 3.623) 7.570 12.739 ( -1.917 -6.783 2.154) 7.371 14.346 ( 0.150 10.307 -2.114) 10.523 14.515 ( -3.081 -6.129 -4.983) 8.479 15.895 ( -2.197 1.055 -0.484) 2.485 15.945 ( 0.550 -3.811 0.072) 3.851 ======================= Grid point 96 (54/148) ======================= q-point: (-0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -1.921 1.176 -1.139) 2.524 0.813 ( -4.688 -3.141 -3.447) 6.612 1.039 ( -6.378 7.627 -1.352) 10.033 1.148 ( -5.468 -1.147 -0.076) 5.588 1.298 ( -7.173 0.582 -2.635) 7.664 1.346 ( -7.062 -5.231 -2.376) 9.104 1.440 ( 5.627 3.823 1.720) 7.017 1.526 ( 4.789 -2.966 0.326) 5.642 1.747 ( -0.526 9.764 -2.138) 10.009 1.886 ( -1.339 4.872 5.466) 7.444 1.953 ( -0.564 -1.914 -2.852) 3.481 2.082 ( -4.185 -6.889 1.371) 8.177 2.098 ( -0.335 0.859 0.808) 1.226 2.180 ( 2.178 -6.241 2.089) 6.932 2.517 ( -2.129 2.880 3.058) 4.709 2.565 ( -1.472 -0.882 2.674) 3.177 2.828 ( -2.610 5.253 -4.065) 7.136 2.939 ( 2.428 -4.395 -0.967) 5.113 3.282 ( 3.406 1.582 1.517) 4.050 3.331 ( 3.762 -2.714 2.191) 5.130 3.839 ( 1.393 8.032 1.237) 8.245 3.946 ( 1.875 -1.286 -2.057) 3.066 4.081 ( -6.089 6.311 -4.771) 9.983 4.125 ( -1.374 9.002 -2.122) 9.350 4.234 ( -2.759 -2.310 -0.366) 3.617 4.260 ( -4.682 -5.143 -5.528) 8.885 4.657 ( -0.659 3.811 -3.852) 5.459 4.702 ( 0.027 1.062 -3.757) 3.904 4.778 ( 2.005 -1.377 -3.578) 4.326 4.824 ( 1.758 -4.200 -6.954) 8.312 8.483 ( -9.772 8.267 5.279) 13.846 8.667 ( -9.087 -9.553 8.444) 15.658 9.885 ( 10.388 3.107 -0.027) 10.843 9.920 ( 10.546 -0.163 -0.254) 10.550 10.481 ( 9.330 14.657 -5.495) 18.223 10.782 ( 9.684 -13.901 -6.255) 18.059 12.568 ( -5.699 5.438 4.430) 9.037 12.684 ( -6.199 -5.678 2.209) 8.692 14.333 ( -0.110 5.690 -1.864) 5.988 14.404 ( -4.813 -1.376 -5.361) 7.335 15.829 ( -4.336 3.745 -0.734) 5.776 15.939 ( -1.309 -6.965 -0.220) 7.091 ======================= Grid point 97 (55/148) ======================= q-point: (-0.22 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -2.655 3.045 0.565) 4.079 0.785 ( 1.628 -2.955 2.587) 4.251 0.915 ( -5.465 8.414 -1.383) 10.127 1.074 ( -2.773 -3.931 -1.060) 4.926 1.146 ( -6.508 0.254 -2.776) 7.080 1.199 ( -6.278 -6.103 -3.027) 9.264 1.566 ( 5.271 3.305 2.993) 6.904 1.632 ( 4.677 -2.425 1.865) 5.589 1.724 ( -0.572 12.140 -1.218) 12.215 1.845 ( -4.226 7.694 1.483) 8.902 1.928 ( -2.641 -6.576 -3.300) 7.817 1.987 ( -1.615 -5.282 0.100) 5.525 2.096 ( -2.268 0.973 1.151) 2.723 2.179 ( -2.686 -6.417 0.278) 6.962 2.492 ( -3.866 3.744 1.418) 5.565 2.557 ( -1.338 -1.543 1.526) 2.550 2.774 ( -0.389 10.153 -2.053) 10.365 3.003 ( 4.309 -9.800 1.274) 10.782 3.360 ( 3.200 1.048 2.508) 4.198 3.412 ( 2.907 -3.281 2.483) 5.038 3.853 ( 0.854 8.032 -3.040) 8.631 3.914 ( -3.665 2.367 -5.000) 6.635 4.002 ( 0.506 4.951 1.032) 5.082 4.064 ( -2.405 9.074 -3.203) 9.919 4.125 ( -3.303 -5.642 -1.330) 6.671 4.206 ( -1.526 -4.088 -2.198) 4.887 4.643 ( 0.523 4.306 -2.712) 5.116 4.681 ( 0.353 0.166 -1.751) 1.794 4.801 ( 3.234 0.749 -1.926) 3.838 4.871 ( 6.573 -3.996 -1.405) 7.820 8.338 ( -10.473 9.827 4.788) 15.139 8.549 ( -10.065 -10.621 6.143) 15.870 10.094 ( 11.960 3.336 0.088) 12.417 10.127 ( 12.515 0.476 -0.344) 12.529 10.636 ( 11.987 14.855 -3.201) 19.355 10.958 ( 15.586 -15.097 -5.800) 22.461 12.465 ( -9.981 3.943 4.445) 11.616 12.560 ( -9.509 -4.929 1.859) 10.871 14.271 ( -5.578 2.875 -3.711) 7.290 14.303 ( -2.673 -0.021 -1.176) 2.921 15.756 ( -2.588 6.000 -0.633) 6.565 15.897 ( -2.626 -7.866 -1.283) 8.392 ======================= Grid point 98 (56/148) ======================= q-point: (-0.11 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -0.515 8.265 3.700) 9.070 0.809 ( -1.831 9.749 0.420) 9.928 0.884 ( 1.080 -5.864 3.387) 6.857 1.016 ( -2.671 -4.918 -0.866) 5.663 1.070 ( -0.376 -0.542 -0.218) 0.695 1.103 ( -2.127 -6.243 -1.538) 6.772 1.616 ( -1.155 3.732 -0.942) 4.018 1.663 ( -1.114 0.091 -0.159) 1.129 1.725 ( -0.075 12.305 2.448) 12.546 1.829 ( 1.590 6.468 0.462) 6.676 1.896 ( 2.669 -4.899 -0.497) 5.601 1.987 ( -1.262 -4.928 0.231) 5.093 2.057 ( -0.978 -1.723 0.269) 1.999 2.114 ( -4.298 -4.745 -0.133) 6.404 2.413 ( -4.003 5.107 -0.490) 6.507 2.526 ( -2.101 -5.671 -0.857) 6.108 2.793 ( 1.878 13.463 2.028) 13.744 3.094 ( 3.365 -14.108 3.465) 14.911 3.410 ( 0.029 1.285 2.049) 2.418 3.462 ( 0.627 -3.401 2.625) 4.341 3.828 ( -1.982 6.255 -1.374) 6.704 3.860 ( 3.132 5.056 -1.510) 6.137 4.018 ( -0.617 7.447 -0.129) 7.474 4.029 ( 0.652 9.088 1.542) 9.240 4.113 ( 0.384 -3.777 1.043) 3.937 4.181 ( 0.118 -5.591 -0.437) 5.609 4.626 ( 0.398 2.694 -2.421) 3.644 4.684 ( 1.058 -2.506 -0.864) 2.854 4.858 ( 2.997 5.813 0.539) 6.562 4.996 ( 6.020 -6.336 3.177) 9.299 8.210 ( -7.459 10.330 3.802) 13.296 8.427 ( -7.689 -10.777 3.865) 13.791 10.263 ( 6.838 3.798 0.211) 7.824 10.323 ( 8.885 -1.386 -0.350) 8.999 10.837 ( 11.636 18.851 -1.208) 22.186 11.221 ( 18.002 -16.980 -5.332) 25.314 12.287 ( -13.293 3.587 3.499) 14.206 12.394 ( -9.918 -6.122 0.924) 11.692 14.167 ( -3.382 4.183 -0.897) 5.453 14.237 ( -3.590 -2.546 0.243) 4.408 15.741 ( 1.214 4.590 -0.719) 4.802 15.833 ( -2.872 -4.574 -1.956) 5.744 ======================= Grid point 126 (57/148) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 2.203 0.000 10.170) 10.406 0.426 ( -1.426 0.000 9.424) 9.532 0.727 ( -3.787 0.000 -0.630) 3.839 0.935 ( 2.660 0.000 -3.618) 4.491 1.068 ( -2.034 0.000 9.753) 9.963 1.262 ( 2.034 0.000 13.708) 13.858 1.277 ( 2.592 0.000 0.542) 2.648 1.423 ( -3.014 0.000 -2.198) 3.730 1.448 ( 4.830 0.000 9.094) 10.297 1.808 ( -3.668 0.000 3.552) 5.106 1.922 ( 0.378 0.000 -3.466) 3.486 2.152 ( -0.223 0.000 -3.552) 3.559 2.237 ( 5.435 0.000 2.488) 5.977 2.262 ( -7.688 0.000 -4.521) 8.919 2.389 ( -3.557 0.000 0.175) 3.562 2.429 ( 3.489 0.000 0.219) 3.496 2.794 ( 0.192 0.000 -3.702) 3.707 2.934 ( -4.869 0.000 1.658) 5.143 3.184 ( -4.920 0.000 0.910) 5.003 3.348 ( -2.385 0.000 -1.063) 2.611 3.558 ( -3.862 0.000 6.247) 7.344 3.568 ( -3.872 0.000 -0.923) 3.980 3.892 ( 3.923 0.000 11.639) 12.283 4.129 ( 7.677 0.000 2.260) 8.003 4.196 ( 5.433 0.000 5.157) 7.491 4.261 ( -2.978 0.000 4.891) 5.726 4.538 ( 2.082 0.000 -0.656) 2.183 4.628 ( 4.127 0.000 3.177) 5.208 4.950 ( 4.436 0.000 1.644) 4.730 5.491 ( 14.755 0.000 -8.405) 16.981 7.899 ( -1.771 0.000 6.915) 7.139 8.651 ( 4.372 0.000 -9.732) 10.669 10.110 ( -6.867 0.000 6.478) 9.440 10.332 ( -0.518 0.000 1.119) 1.233 10.958 ( -28.207 0.000 1.012) 28.225 11.563 ( 17.628 0.000 -8.952) 19.771 12.063 ( -13.346 0.000 6.226) 14.727 12.502 ( 6.156 0.000 -3.017) 6.856 14.071 ( 8.622 0.000 4.683) 9.812 14.254 ( -8.709 0.000 0.866) 8.752 15.415 ( 5.852 0.000 5.300) 7.896 15.892 ( 8.605 0.000 -4.049) 9.510 ======================= Grid point 127 (58/148) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 5.950 0.000 9.308) 11.047 0.631 ( 11.002 0.000 8.064) 13.641 0.681 ( -0.412 0.000 -2.679) 2.710 1.009 ( 6.459 0.000 -2.426) 6.899 1.033 ( -5.218 0.000 2.766) 5.906 1.279 ( -1.145 0.000 -1.831) 2.159 1.382 ( -0.291 0.000 -0.343) 0.450 1.496 ( 7.387 0.000 17.599) 19.086 1.600 ( 2.896 0.000 6.361) 6.989 1.851 ( 5.962 0.000 5.197) 7.909 1.887 ( -1.854 0.000 -3.592) 4.042 2.095 ( -5.987 0.000 -3.300) 6.836 2.122 ( 0.894 0.000 -3.768) 3.872 2.336 ( -2.430 0.000 -0.009) 2.430 2.353 ( 4.749 0.000 3.268) 5.765 2.491 ( 3.123 0.000 -0.433) 3.153 2.787 ( -8.590 0.000 -6.861) 10.993 2.815 ( 4.429 0.000 -0.312) 4.440 3.166 ( -0.411 0.000 3.901) 3.923 3.283 ( -3.013 0.000 -2.455) 3.886 3.517 ( -3.483 0.000 4.852) 5.973 3.535 ( -3.987 0.000 6.053) 7.248 3.915 ( -7.150 0.000 0.233) 7.154 4.221 ( 0.470 0.000 4.765) 4.788 4.276 ( -1.767 0.000 6.511) 6.746 4.395 ( 11.423 0.000 2.522) 11.698 4.605 ( 5.206 0.000 4.013) 6.573 4.699 ( 2.074 0.000 0.652) 2.174 5.042 ( 4.224 0.000 1.404) 4.452 5.500 ( -2.220 0.000 -12.539) 12.734 7.979 ( 5.076 0.000 5.876) 7.765 8.698 ( 9.499 0.000 -9.666) 13.552 9.899 ( -23.437 0.000 12.499) 26.562 10.290 ( -5.093 0.000 0.474) 5.115 10.531 ( -20.402 0.000 2.734) 20.585 11.703 ( -1.195 0.000 -5.012) 5.152 11.957 ( 1.991 0.000 4.796) 5.193 12.628 ( 9.684 0.000 -2.126) 9.915 14.079 ( -10.077 0.000 -0.876) 10.115 14.317 ( 13.688 0.000 6.334) 15.082 15.601 ( 9.429 0.000 5.433) 10.883 15.986 ( 6.875 0.000 -12.243) 14.042 ======================= Grid point 128 (59/148) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.390 0.000 -2.849) 2.876 0.749 ( 8.812 0.000 8.861) 12.497 0.862 ( 5.347 0.000 7.859) 9.506 0.984 ( 1.051 0.000 1.417) 1.764 1.039 ( -1.104 0.000 -2.960) 3.159 1.279 ( 0.779 0.000 -1.683) 1.855 1.389 ( 3.440 0.000 -0.818) 3.536 1.572 ( -6.010 0.000 2.827) 6.642 1.774 ( 8.674 0.000 9.836) 13.115 1.806 ( -3.183 0.000 -3.050) 4.408 1.970 ( 1.934 0.000 -3.402) 3.913 2.029 ( -1.011 0.000 0.432) 1.099 2.228 ( 12.074 0.000 5.837) 13.411 2.288 ( -2.882 0.000 -1.748) 3.371 2.462 ( 5.807 0.000 1.998) 6.141 2.524 ( -1.190 0.000 -2.698) 2.949 2.580 ( -4.273 0.000 -7.143) 8.324 2.929 ( 5.942 0.000 3.918) 7.118 3.208 ( 0.807 0.000 5.881) 5.936 3.225 ( -1.285 0.000 -1.727) 2.153 3.510 ( -2.785 0.000 6.725) 7.279 3.514 ( -3.672 0.000 5.830) 6.890 3.705 ( -13.446 0.000 -4.153) 14.073 4.233 ( -2.962 0.000 4.251) 5.181 4.243 ( -4.818 0.000 1.010) 4.923 4.582 ( 8.210 0.000 -0.944) 8.264 4.712 ( 1.184 0.000 -3.727) 3.910 4.760 ( 6.491 0.000 5.631) 8.593 5.101 ( 1.883 0.000 -1.176) 2.220 5.289 ( -9.696 0.000 -12.465) 15.792 8.146 ( 9.041 0.000 3.086) 9.553 8.833 ( 13.892 0.000 -9.310) 16.723 9.592 ( -22.054 0.000 17.920) 28.417 10.161 ( -9.216 0.000 -0.995) 9.270 10.235 ( -16.578 0.000 1.750) 16.670 11.528 ( -12.337 0.000 0.396) 12.343 12.124 ( 10.112 0.000 1.464) 10.217 12.784 ( 9.491 0.000 -2.581) 9.835 13.913 ( -7.730 0.000 -0.612) 7.755 14.602 ( 12.663 0.000 3.992) 13.278 15.799 ( 8.469 0.000 3.865) 9.309 15.949 ( 1.484 0.000 -13.167) 13.251 ======================= Grid point 129 (60/148) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.595 0.000 0.096) 0.603 0.889 ( -1.535 0.000 2.125) 2.622 0.934 ( 2.202 0.000 3.094) 3.797 1.006 ( 2.828 0.000 0.730) 2.921 1.152 ( 9.184 0.000 7.114) 11.617 1.221 ( -3.561 0.000 -0.297) 3.574 1.439 ( -9.833 0.000 0.295) 9.837 1.504 ( 7.810 0.000 -0.972) 7.870 1.756 ( -0.856 0.000 -0.240) 0.890 1.904 ( 2.320 0.000 -9.169) 9.458 1.983 ( 2.551 0.000 6.674) 7.145 2.017 ( -3.166 0.000 1.431) 3.475 2.219 ( -0.250 0.000 -4.634) 4.641 2.370 ( -5.133 0.000 -6.981) 8.665 2.460 ( 7.716 0.000 0.844) 7.762 2.610 ( 4.273 0.000 0.138) 4.275 2.612 ( 8.751 0.000 3.255) 9.337 3.045 ( 2.671 0.000 5.003) 5.671 3.218 ( 0.840 0.000 0.772) 1.140 3.269 ( -2.734 0.000 2.000) 3.387 3.415 ( -10.948 0.000 6.528) 12.747 3.512 ( -2.760 0.000 5.676) 6.311 3.531 ( -0.161 0.000 1.907) 1.914 4.152 ( -4.950 0.000 -0.605) 4.987 4.188 ( -5.178 0.000 3.294) 6.137 4.620 ( 0.405 0.000 -8.035) 8.045 4.731 ( 4.279 0.000 -3.895) 5.786 4.869 ( 1.962 0.000 -1.935) 2.756 5.004 ( -10.406 0.000 -10.429) 14.733 5.080 ( -1.285 0.000 -5.843) 5.983 8.305 ( 6.959 0.000 -0.132) 6.961 9.027 ( 15.609 0.000 -9.247) 18.143 9.462 ( -9.877 0.000 23.309) 25.315 9.962 ( -15.808 0.000 1.681) 15.898 9.965 ( -10.906 0.000 -2.230) 11.131 11.324 ( -10.759 0.000 0.200) 10.761 12.293 ( 7.198 0.000 2.363) 7.576 12.905 ( 6.661 0.000 -3.562) 7.554 13.808 ( -4.066 0.000 0.681) 4.123 14.756 ( 3.203 0.000 -3.963) 5.096 15.908 ( 4.739 0.000 -7.322) 8.722 15.940 ( 4.525 0.000 2.142) 5.007 ======================= Grid point 130 (61/148) ======================= q-point: (-0.56 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 2.762 0.000 3.441) 4.412 0.889 ( 0.394 0.000 0.503) 0.639 0.921 ( -0.254 0.000 -2.587) 2.599 1.009 ( -5.065 0.000 -0.202) 5.069 1.229 ( -12.571 0.000 3.472) 13.041 1.276 ( 5.278 0.000 6.650) 8.490 1.382 ( 8.836 0.000 5.020) 10.162 1.594 ( 4.416 0.000 -2.765) 5.210 1.788 ( 2.622 0.000 3.696) 4.532 1.835 ( -1.408 0.000 -8.427) 8.543 1.917 ( -6.322 0.000 -1.510) 6.500 2.039 ( -1.054 0.000 1.097) 1.521 2.251 ( 4.709 0.000 -3.468) 5.848 2.265 ( -0.162 0.000 -4.622) 4.625 2.528 ( 1.857 0.000 -3.484) 3.948 2.676 ( -4.801 0.000 -3.644) 6.027 2.708 ( 5.857 0.000 2.433) 6.342 3.002 ( -12.119 0.000 -2.710) 12.418 3.173 ( 4.031 0.000 6.345) 7.517 3.260 ( 2.152 0.000 2.873) 3.589 3.473 ( 0.335 0.000 9.207) 9.213 3.485 ( -4.628 0.000 3.585) 5.854 3.637 ( 7.899 0.000 9.330) 12.225 4.077 ( -3.235 0.000 -0.295) 3.249 4.118 ( -4.870 0.000 2.588) 5.514 4.536 ( -1.100 0.000 -10.892) 10.948 4.644 ( -11.661 0.000 -14.218) 18.389 4.744 ( 0.369 0.000 -5.304) 5.317 4.929 ( 0.110 0.000 -4.205) 4.206 4.980 ( -2.311 0.000 -9.850) 10.118 8.383 ( 1.993 0.000 0.536) 2.063 9.193 ( 9.894 0.000 -10.871) 14.699 9.594 ( 2.006 0.000 26.236) 26.312 9.728 ( -11.121 0.000 1.519) 11.225 9.792 ( -5.101 0.000 -1.180) 5.235 11.162 ( -6.689 0.000 -2.184) 7.037 12.408 ( 3.283 0.000 3.646) 4.906 12.955 ( 2.392 0.000 -4.583) 5.170 13.787 ( 0.359 0.000 2.623) 2.647 14.650 ( -6.946 0.000 -11.636) 13.551 15.981 ( -1.309 0.000 0.620) 1.448 16.018 ( 10.434 0.000 -1.543) 10.547 ======================= Grid point 131 (62/148) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 3.123 0.000 5.054) 5.941 0.849 ( -7.435 0.000 -0.679) 7.466 0.905 ( 1.030 0.000 -0.476) 1.134 0.961 ( 1.854 0.000 -1.201) 2.209 1.029 ( -11.348 0.000 3.807) 11.970 1.373 ( 0.111 0.000 3.629) 3.631 1.565 ( 5.107 0.000 5.353) 7.398 1.680 ( 5.811 0.000 -1.702) 6.055 1.730 ( -4.091 0.000 -4.808) 6.313 1.758 ( -4.187 0.000 -0.907) 4.284 1.918 ( 3.968 0.000 4.035) 5.659 1.955 ( -7.337 0.000 -3.045) 7.943 2.229 ( 1.834 0.000 -2.583) 3.168 2.358 ( 6.716 0.000 -1.859) 6.968 2.382 ( -13.435 0.000 -8.588) 15.945 2.524 ( -4.044 0.000 -4.077) 5.742 2.850 ( -4.235 0.000 -0.097) 4.236 2.854 ( 7.617 0.000 4.464) 8.828 3.304 ( -2.752 0.000 2.482) 3.706 3.316 ( 4.852 0.000 6.355) 7.996 3.430 ( -1.215 0.000 3.139) 3.366 3.539 ( 1.908 0.000 4.878) 5.238 3.886 ( 8.810 0.000 12.727) 15.479 4.002 ( -5.688 0.000 -1.742) 5.948 4.067 ( -3.069 0.000 2.323) 3.849 4.387 ( -5.042 0.000 -9.598) 10.841 4.426 ( -2.022 0.000 -10.292) 10.489 4.648 ( -4.943 0.000 -8.323) 9.680 4.854 ( -2.825 0.000 -9.081) 9.511 4.885 ( 0.290 0.000 -9.252) 9.256 8.376 ( -5.128 0.000 3.331) 6.114 9.154 ( -3.158 0.000 -11.924) 12.335 9.627 ( -0.678 0.000 1.897) 2.014 9.824 ( 8.086 0.000 0.178) 8.088 9.907 ( 9.593 0.000 26.749) 28.417 11.063 ( -0.981 0.000 -5.685) 5.769 12.461 ( -0.934 0.000 4.738) 4.829 12.917 ( -2.225 0.000 -5.422) 5.861 13.862 ( 4.735 0.000 4.967) 6.862 14.396 ( -9.856 0.000 -12.908) 16.241 15.903 ( -7.308 0.000 -0.664) 7.338 16.195 ( 10.063 0.000 -2.156) 10.291 ======================= Grid point 132 (63/148) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -9.623 0.000 1.582) 9.752 0.760 ( -10.494 0.000 4.446) 11.397 0.907 ( 0.160 0.000 1.388) 1.398 1.017 ( 5.160 0.000 -1.282) 5.317 1.020 ( 3.939 0.000 6.101) 7.262 1.344 ( -5.588 0.000 0.636) 5.624 1.471 ( -13.237 0.000 -2.719) 13.513 1.589 ( -5.019 0.000 -3.527) 6.134 1.664 ( -12.349 0.000 1.698) 12.466 1.837 ( 2.835 0.000 -0.811) 2.949 1.876 ( 8.697 0.000 -1.599) 8.843 2.017 ( 4.569 0.000 3.734) 5.901 2.131 ( -7.154 0.000 -4.900) 8.672 2.298 ( 5.476 0.000 3.900) 6.723 2.412 ( -4.407 0.000 -5.095) 6.736 2.444 ( 3.735 0.000 -0.526) 3.772 2.817 ( 0.179 0.000 -0.972) 0.988 3.010 ( 3.557 0.000 3.931) 5.302 3.203 ( -5.134 0.000 1.366) 5.313 3.424 ( 2.491 0.000 4.768) 5.380 3.519 ( 5.549 0.000 3.897) 6.781 3.612 ( 2.187 0.000 2.519) 3.336 3.836 ( -7.400 0.000 -1.258) 7.506 4.037 ( -2.553 0.000 2.035) 3.265 4.144 ( 7.503 0.000 12.007) 14.159 4.304 ( -4.290 0.000 -7.759) 8.866 4.326 ( 1.994 0.000 -3.494) 4.023 4.494 ( -2.962 0.000 -9.208) 9.673 4.709 ( -4.456 0.000 -8.922) 9.973 4.842 ( 1.290 0.000 -6.041) 6.178 8.252 ( -12.081 0.000 5.414) 13.238 8.975 ( -5.890 0.000 -10.951) 12.435 9.720 ( 8.856 0.000 0.654) 8.880 10.004 ( 10.733 0.000 0.326) 10.738 10.342 ( 15.935 0.000 28.275) 32.456 11.048 ( 5.851 0.000 -9.001) 10.736 12.449 ( -4.913 0.000 5.433) 7.325 12.800 ( -5.869 0.000 -6.021) 8.408 14.019 ( 7.443 0.000 7.097) 10.284 14.143 ( -8.224 0.000 -9.961) 12.917 15.726 ( -11.459 0.000 -1.421) 11.547 16.295 ( 4.285 0.000 -7.422) 8.570 ======================= Grid point 133 (64/148) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -9.396 0.000 4.130) 10.263 0.609 ( -10.932 0.000 6.158) 12.547 0.910 ( -3.027 0.000 4.793) 5.669 1.091 ( -5.431 0.000 1.097) 5.541 1.109 ( 5.904 0.000 -0.823) 5.961 1.186 ( -10.078 0.000 -2.941) 10.498 1.255 ( -5.778 0.000 7.204) 9.235 1.396 ( -14.548 0.000 0.699) 14.565 1.521 ( -1.331 0.000 -1.480) 1.990 1.911 ( 2.276 0.000 0.690) 2.378 1.940 ( 2.775 0.000 -4.893) 5.625 2.053 ( 0.432 0.000 -1.978) 2.025 2.160 ( 7.884 0.000 2.327) 8.221 2.304 ( -3.077 0.000 -5.495) 6.298 2.439 ( 2.697 0.000 5.488) 6.115 2.481 ( 1.045 0.000 2.440) 2.654 2.822 ( 1.441 0.000 -2.108) 2.553 2.956 ( -7.060 0.000 2.971) 7.660 3.268 ( 6.142 0.000 2.903) 6.794 3.469 ( -0.459 0.000 1.301) 1.379 3.621 ( -1.693 0.000 2.206) 2.781 3.630 ( 3.689 0.000 0.939) 3.806 3.747 ( -4.830 0.000 -2.495) 5.436 4.007 ( -1.708 0.000 0.959) 1.959 4.162 ( -4.951 0.000 -5.276) 7.235 4.250 ( -0.671 0.000 2.490) 2.579 4.428 ( 6.853 0.000 4.337) 8.110 4.447 ( 3.145 0.000 -3.656) 4.823 4.679 ( 7.502 0.000 7.021) 10.275 4.837 ( 1.952 0.000 -2.528) 3.194 8.071 ( -12.680 0.000 6.592) 14.291 8.805 ( -3.902 0.000 -10.104) 10.831 9.900 ( 9.800 0.000 1.323) 9.889 10.178 ( 8.151 0.000 0.801) 8.191 10.877 ( 20.480 0.000 23.210) 30.953 11.134 ( 12.686 0.000 -10.817) 16.672 12.374 ( -8.450 0.000 5.709) 10.198 12.633 ( -7.084 0.000 -6.377) 9.531 13.977 ( -3.725 0.000 -4.639) 5.949 14.207 ( 6.520 0.000 7.784) 10.154 15.507 ( -11.360 0.000 -0.962) 11.400 16.194 ( -7.422 0.000 -12.978) 14.950 ======================= Grid point 134 (65/148) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -7.247 0.000 7.358) 10.328 0.457 ( -11.675 0.000 7.413) 13.830 0.836 ( -7.945 0.000 0.494) 7.960 0.994 ( -5.358 0.000 15.004) 15.932 1.000 ( -6.388 0.000 -4.281) 7.690 1.204 ( 5.112 0.000 -0.205) 5.116 1.237 ( -4.670 0.000 3.318) 5.728 1.328 ( 1.833 0.000 8.472) 8.668 1.485 ( -2.127 0.000 -1.325) 2.506 1.885 ( -4.808 0.000 -0.213) 4.813 1.937 ( 1.357 0.000 -4.530) 4.729 2.103 ( 4.399 0.000 2.283) 4.956 2.222 ( -1.138 0.000 -5.781) 5.892 2.297 ( 5.932 0.000 0.277) 5.938 2.422 ( -3.843 0.000 0.306) 3.856 2.484 ( -4.720 0.000 0.043) 4.720 2.823 ( 0.680 0.000 -3.537) 3.602 2.934 ( -1.439 0.000 8.711) 8.829 3.357 ( -10.281 0.000 -6.885) 12.374 3.362 ( 2.010 0.000 0.475) 2.065 3.581 ( -4.103 0.000 4.170) 5.850 3.638 ( -1.409 0.000 -2.910) 3.233 3.723 ( 1.808 0.000 11.793) 11.931 4.012 ( 3.313 0.000 -1.466) 3.623 4.110 ( 0.779 0.000 2.964) 3.065 4.269 ( -0.974 0.000 4.079) 4.193 4.507 ( 2.610 0.000 -0.966) 2.783 4.521 ( 5.193 0.000 1.742) 5.477 4.874 ( 3.205 0.000 0.304) 3.220 5.099 ( 26.137 0.000 8.790) 27.576 7.935 ( -8.299 0.000 7.064) 10.898 8.691 ( -0.284 0.000 -9.730) 9.734 10.063 ( 5.827 0.000 3.732) 6.920 10.293 ( 3.960 0.000 1.129) 4.118 11.242 ( 1.621 0.000 4.597) 4.875 11.321 ( 17.418 0.000 -10.461) 20.318 12.241 ( -11.593 0.000 5.763) 12.947 12.491 ( -2.254 0.000 -5.252) 5.716 13.953 ( 2.515 0.000 0.788) 2.636 14.321 ( -0.557 0.000 5.156) 5.186 15.363 ( -3.939 0.000 1.934) 4.388 15.915 ( -10.201 0.000 -5.399) 11.542 ======================= Grid point 135 (66/148) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 2.336 5.630 8.426) 10.399 0.545 ( -1.103 8.447 7.043) 11.053 0.919 ( -1.048 5.077 -2.706) 5.848 0.934 ( -1.096 7.703 -4.046) 8.769 1.111 ( -3.443 2.757 3.523) 5.645 1.293 ( 2.806 1.488 1.493) 3.510 1.363 ( 1.926 9.361 16.419) 18.998 1.381 ( -0.248 -2.804 0.578) 2.873 1.519 ( 1.683 5.517 4.993) 7.629 1.811 ( -1.921 0.166 3.561) 4.049 1.919 ( 0.158 -0.585 -3.683) 3.733 2.092 ( -0.735 -3.656 -4.487) 5.835 2.186 ( 4.290 -3.049 4.222) 6.747 2.314 ( -1.140 -1.255 -1.815) 2.484 2.399 ( -3.401 -0.068 -1.162) 3.594 2.434 ( 0.389 4.087 0.481) 4.133 2.729 ( 0.351 -4.780 -1.871) 5.146 3.072 ( -3.678 11.016 -2.414) 11.861 3.335 ( -4.436 10.957 1.479) 11.913 3.475 ( 1.533 11.275 3.928) 12.037 3.580 ( -4.657 2.452 5.574) 7.666 3.623 ( -5.159 5.415 -3.961) 8.463 3.893 ( 3.013 -0.709 7.790) 8.382 4.065 ( 8.575 -4.309 5.206) 10.918 4.188 ( 2.311 0.892 4.418) 5.065 4.285 ( 0.409 0.220 3.342) 3.374 4.561 ( 2.458 1.953 1.398) 3.437 4.650 ( 3.033 2.581 2.102) 4.504 4.921 ( 4.430 -2.594 2.458) 5.692 5.447 ( 11.235 -3.851 -5.084) 12.919 7.940 ( -1.901 4.009 6.653) 7.997 8.632 ( 2.127 -2.296 -7.817) 8.420 10.193 ( -3.942 7.798 5.285) 10.212 10.328 ( -0.581 -0.036 2.213) 2.288 10.767 ( -19.063 -11.749 6.701) 23.374 11.582 ( 16.416 0.144 -10.975) 19.748 12.139 ( -16.065 3.612 2.896) 16.719 12.453 ( 5.455 -4.026 -2.374) 7.183 14.092 ( 8.165 2.065 4.482) 9.540 14.265 ( -6.441 0.872 1.110) 6.594 15.489 ( 2.725 5.848 1.837) 6.709 15.875 ( 7.084 -1.506 -3.498) 8.043 ======================= Grid point 136 (67/148) ======================= q-point: ( 0.11 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 3.187 7.161 6.489) 10.176 0.667 ( 9.570 3.180 6.391) 11.939 0.859 ( -1.609 9.602 -2.541) 10.062 0.987 ( 6.092 -0.691 -2.493) 6.618 1.072 ( -2.446 4.404 2.248) 5.517 1.289 ( -2.009 1.197 -1.605) 2.837 1.402 ( 2.158 0.712 1.575) 2.765 1.559 ( 4.823 3.152 15.133) 16.193 1.607 ( 0.966 3.375 5.345) 6.395 1.832 ( 0.961 -1.164 1.381) 2.046 1.903 ( 1.487 -0.186 -2.288) 2.735 2.059 ( 0.906 -0.787 -1.542) 1.954 2.241 ( 0.864 -2.878 0.065) 3.006 2.262 ( -3.442 5.316 -3.148) 7.072 2.369 ( 1.987 -1.271 1.533) 2.813 2.470 ( 1.993 -1.413 -0.174) 2.450 2.740 ( 0.115 -1.043 0.604) 1.211 2.961 ( -2.716 9.995 -5.613) 11.781 3.307 ( -1.876 10.754 3.648) 11.510 3.429 ( -4.686 12.185 -4.095) 13.683 3.529 ( -5.940 3.634 5.386) 8.803 3.587 ( -0.288 4.631 6.276) 7.804 3.891 ( -6.371 -1.826 -0.635) 6.658 4.235 ( 3.955 -1.153 5.125) 6.576 4.254 ( -0.369 0.582 5.422) 5.465 4.377 ( 7.540 -1.952 2.294) 8.120 4.644 ( 5.323 3.228 4.242) 7.533 4.703 ( 1.289 1.012 0.973) 1.906 5.018 ( 4.016 -2.127 2.314) 5.100 5.456 ( -2.545 -3.987 -9.232) 10.373 8.016 ( 4.886 3.527 5.762) 8.338 8.656 ( 6.892 -3.993 -6.455) 10.252 10.020 ( -20.750 11.301 9.550) 25.485 10.292 ( -5.293 0.330 1.528) 5.519 10.482 ( -15.129 -3.544 2.104) 15.681 11.680 ( -2.937 -3.278 -7.640) 8.817 11.985 ( 1.156 2.482 4.737) 5.472 12.584 ( 9.883 -3.913 -1.258) 10.704 14.132 ( -7.933 4.645 -1.217) 9.273 14.325 ( 12.869 0.741 5.896) 14.175 15.610 ( 7.524 0.898 4.264) 8.694 15.954 ( 5.798 -2.910 -9.938) 11.868 ======================= Grid point 137 (68/148) ======================= q-point: ( 0.22 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 2.633 5.624 0.612) 6.240 0.844 ( -0.783 3.434 4.948) 6.073 0.909 ( 11.968 3.356 5.561) 13.617 1.029 ( 1.394 6.168 0.205) 6.327 1.062 ( -1.210 1.975 -1.855) 2.967 1.297 ( 4.880 0.762 -1.402) 5.134 1.450 ( 1.679 4.460 1.931) 5.142 1.569 ( -5.761 -0.487 2.070) 6.141 1.765 ( 4.600 -0.544 7.408) 8.736 1.805 ( -2.130 0.974 -0.083) 2.344 1.894 ( 0.013 -4.470 -4.533) 6.366 2.132 ( 2.112 5.515 1.317) 6.050 2.229 ( 0.497 -3.619 0.018) 3.653 2.270 ( 5.430 1.766 1.113) 5.817 2.387 ( -0.431 -4.055 -2.146) 4.608 2.508 ( 2.975 -2.844 -0.565) 4.155 2.691 ( -1.794 7.618 -3.367) 8.519 2.995 ( 5.675 7.225 3.777) 9.934 3.265 ( -3.684 6.738 0.390) 7.690 3.380 ( -0.525 7.932 2.466) 8.323 3.474 ( -5.811 2.765 7.040) 9.537 3.619 ( -2.342 6.725 5.341) 8.901 3.711 ( -9.800 2.041 -4.276) 10.885 4.232 ( -4.660 0.033 1.830) 5.007 4.285 ( -1.080 3.431 2.900) 4.621 4.534 ( 8.303 -4.828 -0.940) 9.651 4.705 ( 0.136 0.037 -3.272) 3.275 4.789 ( 5.720 2.525 4.747) 7.851 5.078 ( 1.432 -2.022 -0.359) 2.504 5.266 ( -9.421 -2.139 -10.457) 14.237 8.179 ( 8.807 3.169 3.474) 9.984 8.772 ( 10.585 -5.198 -3.678) 12.353 9.727 ( -19.184 12.005 11.831) 25.537 10.165 ( -9.949 0.416 0.460) 9.968 10.243 ( -13.762 0.944 -0.103) 13.795 11.469 ( -12.800 -6.108 -1.694) 14.284 12.145 ( 9.848 2.179 1.871) 10.259 12.749 ( 9.381 -3.259 -1.498) 10.044 13.991 ( -6.539 7.110 -1.217) 9.736 14.591 ( 11.758 -1.085 3.572) 12.336 15.780 ( 7.794 -1.603 2.549) 8.356 15.931 ( 1.818 -1.736 -10.217) 10.522 ======================= Grid point 138 (69/148) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.880 6.119 0.672) 6.219 0.874 ( -0.549 1.462 3.836) 4.142 1.000 ( -1.774 1.752 -2.238) 3.350 1.082 ( 3.791 7.953 2.566) 9.176 1.167 ( 9.668 1.635 5.177) 11.088 1.344 ( -1.184 6.948 0.229) 7.052 1.456 ( -5.972 1.241 1.148) 6.207 1.519 ( 4.018 2.304 0.144) 4.634 1.717 ( -1.066 -3.271 -2.512) 4.260 1.860 ( -0.082 -3.768 -4.700) 6.025 1.911 ( 1.964 -2.298 5.687) 6.440 2.123 ( -3.774 5.390 0.764) 6.624 2.187 ( -0.140 -2.936 -4.246) 5.164 2.325 ( -0.470 -2.894 -3.767) 4.773 2.450 ( 6.916 -1.240 0.923) 7.087 2.577 ( 4.932 -2.624 0.366) 5.599 2.699 ( 3.672 6.294 -0.419) 7.299 3.108 ( 2.841 6.273 2.602) 7.361 3.242 ( -2.976 5.547 0.565) 6.320 3.390 ( -8.213 -2.393 7.784) 11.565 3.418 ( 0.046 -0.700 5.517) 5.562 3.497 ( -4.768 13.118 0.608) 13.970 3.656 ( -0.823 7.781 2.947) 8.360 4.149 ( -4.896 0.972 0.292) 5.000 4.257 ( -3.561 4.939 1.220) 6.210 4.616 ( 2.475 -1.480 -6.051) 6.703 4.682 ( 2.316 -3.412 -4.691) 6.246 4.876 ( 0.939 0.599 -2.243) 2.504 4.995 ( -10.225 -0.807 -8.831) 13.535 5.056 ( -1.740 -2.161 -5.863) 6.486 8.341 ( 6.840 3.379 0.907) 7.683 8.961 ( 11.956 -5.440 0.166) 13.137 9.586 ( -6.900 10.611 12.704) 17.933 9.958 ( -13.691 0.357 1.066) 13.737 10.000 ( -12.423 2.693 -2.062) 12.877 11.251 ( -10.265 -7.137 -1.590) 12.604 12.315 ( 7.201 2.266 2.761) 8.038 12.875 ( 6.351 -2.800 -2.264) 7.301 13.896 ( -3.470 8.104 -0.125) 8.816 14.733 ( 2.997 -2.271 -3.639) 5.233 15.880 ( 5.285 -2.025 -4.395) 7.166 15.939 ( 3.840 -0.594 -0.025) 3.886 ======================= Grid point 139 (70/148) ======================= q-point: (-0.56 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.572 3.920 3.237) 5.116 0.892 ( 1.331 2.708 0.100) 3.019 0.974 ( -0.220 3.028 -0.401) 3.063 1.113 ( -3.147 8.804 -0.662) 9.373 1.234 ( -10.097 2.402 1.185) 10.446 1.323 ( 4.871 -0.874 4.825) 6.912 1.416 ( -0.721 4.613 2.651) 5.369 1.630 ( 9.296 2.297 -0.135) 9.577 1.736 ( 2.631 -4.460 -2.613) 5.800 1.816 ( -2.505 -2.268 -1.285) 3.615 1.897 ( -4.800 0.002 1.828) 5.136 2.068 ( -1.260 2.205 -1.428) 2.914 2.200 ( 3.342 -4.181 -2.114) 5.755 2.293 ( 0.372 1.839 -3.813) 4.250 2.525 ( 2.308 -0.391 -1.747) 2.921 2.649 ( 0.309 -1.967 -0.927) 2.196 2.753 ( 3.194 3.698 0.041) 4.887 3.025 ( -13.205 2.125 -3.482) 13.821 3.190 ( 4.299 1.621 3.024) 5.500 3.354 ( -2.394 2.591 5.632) 6.646 3.461 ( -1.732 6.798 4.097) 8.124 3.593 ( 4.566 6.160 10.561) 13.051 3.668 ( 2.136 4.427 3.897) 6.273 4.079 ( -3.611 1.885 0.781) 4.147 4.192 ( -3.728 4.954 -0.621) 6.231 4.557 ( -0.881 2.120 -9.268) 9.548 4.653 ( -10.297 0.439 -11.868) 15.719 4.691 ( 0.014 -4.505 -5.816) 7.357 4.911 ( -0.835 -1.695 -4.313) 4.709 4.952 ( -2.563 -2.598 -9.716) 10.378 8.425 ( 1.624 3.934 1.735) 4.596 9.157 ( 8.365 -3.767 -0.485) 9.187 9.669 ( 3.560 7.249 13.904) 16.079 9.742 ( -10.613 1.251 1.523) 10.795 9.804 ( -6.453 1.251 -1.448) 6.730 11.090 ( -5.617 -6.959 -3.700) 9.678 12.435 ( 3.431 2.613 4.082) 5.938 12.930 ( 2.185 -2.269 -3.176) 4.473 13.875 ( 0.480 8.033 1.626) 8.210 14.639 ( -6.228 -1.183 -10.524) 12.286 15.960 ( 0.755 -1.798 0.253) 1.967 16.001 ( 7.418 -1.576 -1.193) 7.677 ======================= Grid point 140 (71/148) ======================= q-point: (-0.44 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.712 0.028 3.710) 3.778 0.908 ( -1.375 2.214 1.079) 2.821 0.965 ( -1.859 0.506 -2.937) 3.513 1.006 ( -5.693 11.017 1.314) 12.470 1.080 ( -5.304 5.511 1.769) 7.850 1.396 ( -1.281 1.498 1.785) 2.659 1.485 ( 5.182 -4.523 6.450) 9.429 1.692 ( -1.861 -3.866 -5.212) 6.751 1.697 ( -7.994 -2.845 -2.322) 8.797 1.823 ( 10.471 5.724 -0.294) 11.937 1.888 ( -2.361 -0.100 3.925) 4.582 2.017 ( -2.412 4.960 -1.403) 5.691 2.232 ( 0.482 -5.423 -2.726) 6.089 2.281 ( 0.041 1.928 -2.664) 3.289 2.493 ( -3.624 4.198 -3.835) 6.743 2.540 ( -4.571 2.471 -3.685) 6.371 2.841 ( -5.553 -0.672 -0.549) 5.621 2.874 ( 7.725 1.649 3.488) 8.635 3.303 ( 4.448 -2.029 4.631) 6.734 3.362 ( -1.566 2.266 3.927) 4.797 3.465 ( -1.432 6.954 3.677) 7.996 3.612 ( -1.031 7.843 1.387) 8.031 3.880 ( 8.135 -0.276 11.814) 14.347 4.002 ( -6.480 1.418 -1.466) 6.793 4.130 ( -1.664 3.590 -0.279) 3.967 4.421 ( -3.897 3.113 -8.490) 9.847 4.470 ( -2.363 4.072 -8.149) 9.411 4.608 ( -3.747 -3.401 -7.533) 9.075 4.826 ( -2.766 -2.572 -7.975) 8.824 4.857 ( 0.301 -2.616 -9.561) 9.917 8.418 ( -5.473 4.095 4.211) 8.028 9.167 ( -3.881 0.194 -6.620) 7.676 9.648 ( -0.569 2.132 1.522) 2.681 9.798 ( 5.640 -1.731 5.489) 8.058 9.922 ( 10.747 1.835 13.822) 17.605 11.004 ( 0.587 -5.866 -6.663) 8.897 12.496 ( -0.572 3.164 5.208) 6.121 12.901 ( -2.311 -1.520 -4.106) 4.950 13.941 ( 4.598 7.189 3.888) 9.377 14.407 ( -9.084 0.945 -11.828) 14.943 15.895 ( -6.773 -0.722 -0.629) 6.840 16.148 ( 8.357 -4.291 -1.819) 9.569 ======================= Grid point 141 (72/148) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -9.100 2.573 3.766) 10.179 0.802 ( -9.931 3.476 -0.341) 10.527 0.959 ( 4.023 -2.418 4.316) 6.376 1.005 ( 1.278 6.570 1.817) 6.935 1.095 ( 2.542 5.708 1.862) 6.520 1.350 ( -5.380 1.337 -0.137) 5.546 1.506 ( -9.339 0.429 -2.379) 9.646 1.552 ( -2.242 -2.379 -1.550) 3.618 1.670 ( -4.237 -0.009 6.646) 7.881 1.804 ( -2.685 -0.733 -2.092) 3.482 1.965 ( 4.999 6.302 -5.667) 9.839 2.021 ( 4.006 0.549 2.643) 4.831 2.100 ( -7.240 -2.513 -4.560) 8.917 2.314 ( 3.261 0.366 1.114) 3.466 2.417 ( -3.414 2.279 -0.720) 4.168 2.495 ( 0.278 3.214 -0.291) 3.239 2.789 ( -0.615 -2.469 -1.291) 2.853 3.041 ( 6.880 2.039 3.967) 8.200 3.320 ( -4.214 9.250 2.854) 10.558 3.409 ( 2.177 -1.378 3.448) 4.304 3.492 ( 3.024 -0.646 2.250) 3.824 3.624 ( -0.366 4.320 2.771) 5.145 3.827 ( -8.323 0.956 -1.667) 8.542 4.052 ( 1.400 -1.619 5.119) 5.548 4.177 ( 3.723 1.688 2.889) 5.005 4.335 ( -3.039 1.549 -4.202) 5.412 4.377 ( 0.573 4.131 -5.258) 6.711 4.519 ( 1.441 4.138 -4.633) 6.377 4.704 ( -2.969 -0.274 -8.585) 9.088 4.817 ( 1.710 -2.270 -5.631) 6.307 8.296 ( -12.049 4.371 5.842) 14.086 8.999 ( -7.005 1.461 -8.317) 10.972 9.741 ( 8.712 2.126 1.347) 9.068 9.982 ( 9.597 -2.266 3.555) 10.482 10.266 ( 13.803 -4.698 18.262) 23.369 11.019 ( 8.241 -3.775 -8.975) 12.756 12.497 ( -3.968 3.976 5.880) 8.132 12.791 ( -6.059 -0.848 -4.923) 7.853 14.086 ( 6.967 5.786 5.701) 10.701 14.174 ( -7.466 2.832 -8.987) 12.022 15.731 ( -10.471 0.559 -1.280) 10.563 16.224 ( 2.667 -6.302 -5.839) 8.995 ======================= Grid point 142 (73/148) ======================= q-point: (-0.22 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -9.225 5.244 4.393) 11.485 0.636 ( -9.961 2.365 5.057) 11.419 1.023 ( -0.047 6.133 4.086) 7.370 1.096 ( 5.464 -1.869 1.516) 5.970 1.125 ( -2.584 -0.086 0.719) 2.683 1.220 ( -7.166 7.105 0.145) 10.092 1.335 ( -6.069 4.139 0.701) 7.379 1.465 ( -10.765 6.298 -0.135) 12.472 1.554 ( -4.126 4.774 2.493) 6.785 1.848 ( 1.597 -5.512 2.068) 6.100 1.961 ( 1.122 1.945 -4.890) 5.381 2.000 ( 0.227 -3.482 -1.899) 3.972 2.136 ( 5.125 -2.404 -1.538) 5.866 2.309 ( -0.482 0.641 -2.390) 2.521 2.438 ( -0.708 -0.173 4.018) 4.083 2.491 ( -0.442 0.818 3.078) 3.215 2.776 ( 0.312 -4.060 -2.340) 4.696 3.123 ( -1.059 12.467 4.295) 13.228 3.323 ( 2.776 5.014 0.335) 5.740 3.430 ( 0.057 -1.410 0.165) 1.421 3.596 ( 3.835 -3.139 4.850) 6.935 3.628 ( -1.271 3.477 4.446) 5.786 3.722 ( -4.570 3.108 4.281) 6.991 4.026 ( -4.966 -5.127 -3.730) 8.054 4.177 ( 1.256 1.700 -3.001) 3.671 4.280 ( -2.074 1.407 -1.721) 3.040 4.428 ( 3.599 2.447 1.357) 4.559 4.576 ( 3.574 7.788 -6.629) 10.834 4.698 ( 8.914 1.574 6.859) 11.358 4.839 ( 4.964 1.053 -0.046) 5.075 8.119 ( -12.648 4.627 6.618) 15.006 8.824 ( -5.180 0.985 -8.436) 9.949 9.930 ( 10.372 3.054 2.081) 11.010 10.160 ( 7.570 -1.721 2.713) 8.224 10.647 ( 12.836 -13.388 16.006) 24.499 11.162 ( 15.707 -1.660 -9.168) 18.263 12.451 ( -6.194 4.810 5.461) 9.556 12.627 ( -7.475 -0.425 -5.471) 9.273 14.014 ( -3.829 3.412 -4.275) 6.677 14.257 ( 5.484 3.694 5.995) 8.925 15.543 ( -8.620 3.298 -0.850) 9.268 16.127 ( -7.010 -5.704 -9.592) 13.179 ======================= Grid point 143 (74/148) ======================= q-point: (-0.11 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -8.266 4.831 6.691) 11.681 0.552 ( -5.593 6.418 6.907) 10.962 0.994 ( -5.182 2.333 -2.209) 6.097 1.031 ( -5.132 6.721 -1.575) 8.601 1.116 ( -2.973 7.663 7.282) 10.981 1.223 ( 4.548 2.451 -0.136) 5.169 1.294 ( -5.630 8.468 6.821) 12.244 1.347 ( 0.288 0.591 3.900) 3.955 1.520 ( -3.107 4.915 2.447) 6.309 1.838 ( -2.731 -4.010 1.309) 5.025 1.942 ( 0.650 0.317 -4.141) 4.204 2.065 ( 5.065 -2.486 3.022) 6.401 2.142 ( -0.291 -4.389 -5.115) 6.746 2.338 ( 2.790 0.063 -0.073) 2.791 2.390 ( -3.332 -2.425 0.910) 4.221 2.502 ( -2.938 2.358 1.155) 3.941 2.755 ( -0.454 -5.657 -3.099) 6.466 3.119 ( -2.628 14.700 3.233) 15.279 3.364 ( 1.102 2.486 2.920) 3.990 3.439 ( -0.327 7.733 -0.524) 7.758 3.609 ( -3.799 3.424 6.490) 8.263 3.689 ( 1.132 1.738 -0.000) 2.074 3.755 ( 2.062 3.029 9.921) 10.576 3.947 ( 1.318 -6.250 -1.649) 6.597 4.154 ( -0.213 4.144 -2.316) 4.752 4.269 ( -0.420 -0.617 2.955) 3.048 4.501 ( 2.962 1.413 2.641) 4.212 4.590 ( 3.101 4.573 -2.140) 5.926 4.835 ( 3.804 -3.137 1.336) 5.109 5.140 ( 20.966 2.635 5.439) 21.820 7.981 ( -8.447 4.466 6.849) 11.757 8.695 ( -2.002 -0.423 -8.376) 8.622 10.113 ( 7.229 4.854 3.757) 9.483 10.281 ( 3.852 -0.918 2.421) 4.642 10.886 ( 0.397 -18.016 10.399) 20.805 11.381 ( 16.292 -1.007 -10.629) 19.479 12.355 ( -9.293 4.507 2.908) 10.730 12.470 ( -4.369 -1.074 -5.241) 6.907 13.983 ( 1.935 2.938 0.805) 3.609 14.327 ( -2.218 0.137 4.016) 4.589 15.463 ( 0.143 7.633 -0.585) 7.657 15.898 ( -8.528 -1.590 -4.395) 9.725 ======================= Grid point 144 (75/148) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 1.883 6.728 4.344) 8.227 0.699 ( 0.437 6.471 4.540) 7.917 0.923 ( -1.921 -0.626 -2.157) 2.956 1.062 ( -1.607 2.485 0.157) 2.964 1.168 ( 0.127 -1.095 -0.434) 1.185 1.295 ( 3.744 -2.715 2.612) 5.312 1.382 ( -0.850 5.931 -0.106) 5.993 1.600 ( -3.734 10.643 10.604) 15.481 1.635 ( 1.832 6.257 3.126) 7.230 1.805 ( 2.000 -0.652 1.354) 2.502 1.899 ( -1.591 -0.759 -3.335) 3.772 2.038 ( 0.613 -2.045 -2.207) 3.071 2.115 ( 0.987 -3.680 2.579) 4.601 2.252 ( 0.894 -3.860 -0.080) 3.963 2.341 ( 0.898 -2.723 -0.502) 2.911 2.524 ( -3.009 -2.444 -4.781) 6.155 2.713 ( 2.636 8.084 5.850) 10.321 3.278 ( -5.276 7.494 -2.860) 9.601 3.475 ( -3.416 -1.038 2.973) 4.646 3.570 ( -1.590 -0.323 1.799) 2.423 3.729 ( 1.816 5.320 7.150) 9.095 3.814 ( -1.474 12.090 0.690) 12.199 3.900 ( 4.474 7.121 0.529) 8.427 4.055 ( 4.860 2.587 6.372) 8.421 4.210 ( 2.462 0.286 0.882) 2.631 4.261 ( 0.874 -1.729 4.399) 4.806 4.611 ( 2.863 2.793 2.904) 4.942 4.750 ( 1.368 7.643 2.376) 8.120 4.860 ( 4.130 -3.070 4.506) 6.841 5.345 ( 5.751 -6.075 -0.205) 8.368 8.059 ( -2.520 7.307 5.865) 9.702 8.547 ( -1.891 -5.941 -2.437) 6.694 10.309 ( 0.138 1.597 2.705) 3.144 10.411 ( 4.111 6.107 -0.090) 7.362 10.652 ( -13.112 4.084 6.807) 15.328 11.533 ( 14.941 -5.917 -11.398) 19.701 12.145 ( -14.870 -1.588 4.106) 15.508 12.365 ( 2.449 -4.585 -2.183) 5.637 14.151 ( 6.571 3.385 3.934) 8.373 14.279 ( -2.537 0.197 1.847) 3.144 15.608 ( -0.213 5.198 -1.054) 5.309 15.833 ( 4.125 -2.521 -2.635) 5.505 ======================= Grid point 145 (76/148) ======================= q-point: ( 0.11 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 8.373 3.611 3.283) 9.692 0.764 ( 2.773 6.282 4.220) 8.060 0.903 ( -1.098 -1.112 1.488) 2.158 1.042 ( 2.730 4.360 -3.378) 6.154 1.161 ( -0.883 0.680 -0.600) 1.266 1.354 ( 0.513 1.448 -1.407) 2.083 1.393 ( 1.681 2.775 3.589) 4.838 1.611 ( -0.768 2.966 5.985) 6.724 1.742 ( 3.483 7.217 6.659) 10.419 1.809 ( -3.304 -0.292 0.212) 3.324 1.868 ( 1.234 -2.130 -2.536) 3.534 2.064 ( 3.768 0.203 1.511) 4.065 2.131 ( 0.124 -5.381 0.406) 5.398 2.279 ( 0.737 -3.290 -0.471) 3.404 2.353 ( 2.305 -1.630 -3.425) 4.438 2.438 ( -2.578 -2.924 -3.675) 5.357 2.818 ( 2.498 9.253 7.459) 12.145 3.158 ( -3.533 8.152 -3.073) 9.401 3.422 ( -4.686 0.444 2.306) 5.241 3.529 ( -5.202 -1.236 1.389) 5.524 3.723 ( -6.619 9.550 4.223) 12.363 3.815 ( 0.185 10.513 1.075) 10.569 3.929 ( 0.219 11.145 -2.026) 11.330 4.186 ( 5.924 -2.457 2.992) 7.077 4.286 ( 2.968 0.846 4.101) 5.133 4.314 ( 1.490 -3.567 1.895) 4.305 4.719 ( 4.972 4.353 5.980) 8.912 4.771 ( -0.321 5.881 1.012) 5.976 4.969 ( 3.482 -2.386 4.837) 6.420 5.350 ( -3.187 -6.262 -3.384) 7.799 8.117 ( 4.055 6.111 5.452) 9.139 8.546 ( 3.253 -6.406 -0.660) 7.214 10.266 ( -9.021 4.961 3.014) 10.727 10.376 ( -15.705 14.023 3.918) 21.416 10.424 ( -5.498 -0.983 -0.793) 5.641 11.531 ( -7.719 -11.640 -8.617) 16.411 12.055 ( 3.822 4.525 3.655) 6.960 12.480 ( 9.681 -6.128 0.001) 11.458 14.238 ( -2.787 4.972 -0.742) 5.748 14.343 ( 10.587 0.852 4.669) 11.602 15.642 ( 4.047 2.332 1.820) 5.013 15.878 ( 3.789 -4.177 -5.993) 8.229 ======================= Grid point 146 (77/148) ======================= q-point: ( 0.22 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 2.378 5.167 -0.440) 5.705 0.891 ( 0.417 2.744 6.198) 6.791 0.968 ( 10.325 2.739 4.136) 11.455 1.096 ( 0.146 1.717 -1.042) 2.014 1.136 ( 4.142 1.089 -3.666) 5.637 1.347 ( 1.203 1.304 -1.857) 2.568 1.460 ( 2.830 0.934 3.267) 4.422 1.630 ( -3.495 5.565 3.785) 7.584 1.746 ( -2.396 -1.268 0.358) 2.735 1.806 ( 1.341 -2.707 -5.772) 6.515 1.877 ( -0.791 4.783 7.383) 8.832 2.128 ( -0.006 -5.426 -1.350) 5.592 2.191 ( 6.640 -1.645 3.032) 7.482 2.246 ( -3.147 -1.368 -0.812) 3.527 2.358 ( 0.930 -0.975 -4.448) 4.648 2.421 ( 4.015 -4.810 -0.714) 6.306 2.859 ( -1.466 9.001 1.247) 9.204 3.185 ( 5.008 8.879 5.408) 11.540 3.335 ( -5.906 -0.886 0.780) 6.023 3.441 ( -5.830 0.256 2.956) 6.542 3.589 ( -10.098 5.811 -0.046) 11.651 3.825 ( -0.170 9.973 1.650) 10.110 3.905 ( -1.971 17.366 -0.161) 17.478 4.236 ( -2.183 0.259 1.169) 2.490 4.349 ( 0.574 1.069 2.992) 3.228 4.390 ( 7.412 -7.737 -1.967) 10.893 4.741 ( -1.560 3.952 -2.247) 4.807 4.851 ( 3.948 3.357 3.625) 6.324 5.032 ( 0.380 -2.123 1.781) 2.797 5.203 ( -8.807 -4.061 -6.020) 11.415 8.268 ( 8.020 5.218 4.454) 10.554 8.648 ( 7.147 -6.501 3.097) 10.145 10.016 ( -17.331 13.525 4.753) 22.492 10.182 ( -11.048 1.298 1.342) 11.205 10.295 ( -8.468 5.715 -3.023) 10.654 11.271 ( -12.931 -13.102 -5.045) 19.087 12.219 ( 9.485 5.110 2.481) 11.056 12.655 ( 9.243 -5.801 0.395) 10.919 14.171 ( -3.305 9.539 -1.805) 10.256 14.556 ( 9.307 -2.437 2.322) 9.897 15.752 ( 6.195 -0.655 0.926) 6.298 15.880 ( 2.372 -3.068 -5.559) 6.778 ======================= Grid point 147 (78/148) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -0.795 5.207 1.824) 5.574 0.954 ( 1.811 5.541 2.349) 6.285 1.037 ( -1.771 2.222 0.272) 2.854 1.159 ( 6.092 -1.137 0.438) 6.213 1.240 ( 6.290 3.161 -1.885) 7.287 1.398 ( 5.968 -2.231 1.046) 6.456 1.514 ( -2.961 5.228 3.650) 7.030 1.573 ( -0.153 2.585 0.271) 2.603 1.672 ( -3.678 0.137 -5.691) 6.777 1.796 ( -0.076 -1.643 0.926) 1.888 1.916 ( -0.801 3.008 4.919) 5.821 2.090 ( -2.063 -5.353 -4.640) 7.378 2.182 ( -2.920 -1.856 2.256) 4.130 2.274 ( 1.458 -2.776 -1.810) 3.621 2.410 ( 6.148 -1.501 1.846) 6.592 2.518 ( 6.125 -2.742 0.214) 6.714 2.842 ( 0.078 7.550 -0.911) 7.605 3.217 ( -3.000 2.024 -1.439) 3.894 3.313 ( -8.576 -3.629 3.997) 10.134 3.372 ( -4.941 0.338 3.618) 6.133 3.468 ( 3.989 11.688 5.081) 13.355 3.816 ( -4.150 13.204 2.834) 14.127 3.860 ( -1.295 12.807 -1.466) 12.956 4.194 ( -2.525 3.262 0.610) 4.170 4.350 ( -1.724 2.961 -0.104) 3.428 4.490 ( 5.536 -8.501 -2.870) 10.543 4.686 ( -0.948 2.707 -5.576) 6.270 4.893 ( -0.990 1.087 -2.190) 2.637 4.972 ( -9.986 -1.766 -7.428) 12.571 5.002 ( -2.983 -2.546 -3.616) 5.335 8.434 ( 6.618 5.475 3.516) 9.281 8.834 ( 8.689 -6.646 7.911) 13.500 9.825 ( -7.463 10.371 3.778) 13.324 9.973 ( -13.311 0.892 1.346) 13.408 10.099 ( -9.695 8.388 -4.954) 13.744 11.039 ( -8.769 -13.233 -5.231) 16.714 12.390 ( 7.085 5.067 3.423) 9.358 12.794 ( 6.059 -5.103 0.107) 7.922 14.108 ( -2.101 11.692 -1.488) 11.972 14.663 ( 2.409 -4.609 -3.086) 6.047 15.843 ( 5.206 -1.274 -2.382) 5.865 15.911 ( 3.425 -2.014 -0.423) 3.996 ======================= Grid point 148 (79/148) ======================= q-point: (-0.56 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -3.058 2.793 0.746) 4.208 0.974 ( 0.397 2.688 -2.227) 3.513 1.046 ( -0.812 4.862 3.939) 6.309 1.210 ( 0.309 -2.161 -1.007) 2.404 1.294 ( 2.685 7.008 -1.734) 7.703 1.403 ( -4.832 4.403 4.020) 7.674 1.477 ( -5.423 1.692 -1.827) 5.967 1.618 ( 4.259 -2.626 -2.228) 5.477 1.666 ( 5.187 -0.731 0.251) 5.245 1.776 ( -1.941 0.152 1.253) 2.316 1.935 ( -1.199 2.649 4.667) 5.499 2.047 ( 3.168 -4.096 -4.253) 6.701 2.158 ( -2.141 -0.909 2.076) 3.118 2.281 ( 0.979 -3.411 -1.647) 3.912 2.521 ( 3.875 0.350 1.838) 4.303 2.607 ( 2.463 -1.987 1.174) 3.376 2.845 ( 1.318 4.937 -1.251) 5.261 3.062 ( -12.719 0.514 -4.447) 13.484 3.210 ( 0.124 0.707 1.318) 1.500 3.340 ( -2.669 -1.982 4.760) 5.806 3.679 ( 8.584 5.477 10.121) 14.356 3.742 ( -3.962 15.990 1.546) 16.546 3.842 ( -0.330 8.376 -1.165) 8.463 4.156 ( -3.063 5.264 1.206) 6.208 4.287 ( -3.789 4.059 -3.887) 6.778 4.531 ( 1.478 -8.195 -3.529) 9.044 4.625 ( -1.239 3.088 -6.490) 7.293 4.697 ( -8.458 2.275 -9.203) 12.705 4.864 ( -1.819 -2.905 -6.350) 7.216 4.889 ( -4.427 -2.901 -7.207) 8.941 8.537 ( 1.200 6.796 4.803) 8.408 9.040 ( 5.395 -7.285 10.060) 13.542 9.773 ( -9.191 1.656 1.125) 9.407 9.798 ( -0.554 1.898 1.752) 2.642 9.925 ( -2.881 13.178 -4.387) 14.185 10.885 ( -3.302 -12.661 -6.926) 14.804 12.514 ( 3.488 5.006 4.607) 7.645 12.865 ( 2.053 -4.132 -0.471) 4.638 14.084 ( 0.435 11.565 -0.382) 11.579 14.596 ( -4.351 -3.197 -7.954) 9.613 15.919 ( 2.530 -1.918 -0.233) 3.184 15.958 ( 3.530 -2.385 -0.725) 4.322 ======================= Grid point 149 (80/148) ======================= q-point: (-0.44 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -0.778 -0.428 1.436) 1.689 0.914 ( -3.923 -2.436 -3.629) 5.873 1.021 ( -5.614 5.435 2.353) 8.161 1.184 ( -3.774 5.781 2.026) 7.195 1.264 ( -1.984 9.236 -2.751) 9.839 1.410 ( 0.569 -1.181 2.127) 2.499 1.449 ( 2.173 1.900 5.217) 5.962 1.569 ( -5.745 -5.798 -3.337) 8.818 1.649 ( -1.874 -1.871 -3.317) 4.244 1.876 ( 6.304 1.553 3.329) 7.297 1.926 ( -2.463 2.156 0.989) 3.419 2.126 ( 4.823 -1.832 -0.118) 5.160 2.134 ( -1.469 2.319 -0.664) 2.824 2.267 ( -1.099 -3.599 -1.785) 4.164 2.549 ( -2.106 2.139 -0.051) 3.002 2.605 ( -2.150 2.119 0.239) 3.028 2.837 ( -8.350 0.668 -1.945) 8.600 2.903 ( 5.852 0.792 0.767) 5.955 3.254 ( 2.374 -1.555 3.122) 4.219 3.356 ( 1.191 -2.184 2.995) 3.893 3.695 ( -2.589 12.162 2.365) 12.657 3.822 ( -0.226 8.856 -1.582) 8.999 3.905 ( 6.448 4.488 8.071) 11.264 4.065 ( -8.177 4.666 -2.627) 9.774 4.190 ( -1.601 2.908 -2.152) 3.956 4.450 ( -6.072 -5.305 -6.065) 10.090 4.518 ( -2.082 3.800 -7.122) 8.336 4.614 ( 1.719 4.433 -3.567) 5.944 4.763 ( -2.828 -3.204 -5.965) 7.338 4.788 ( 0.290 -3.725 -9.356) 10.075 8.541 ( -6.047 7.735 6.570) 11.814 9.111 ( -5.424 -6.145 6.151) 10.247 9.708 ( 1.137 3.185 0.563) 3.428 9.788 ( 3.028 0.674 0.879) 3.224 10.009 ( 10.272 7.565 1.024) 12.798 10.823 ( 3.257 -11.557 -8.739) 14.851 12.580 ( -0.467 4.747 5.439) 7.235 12.856 ( -2.318 -2.914 -1.319) 3.950 14.122 ( 3.505 9.608 1.346) 10.316 14.424 ( -6.830 0.363 -9.105) 11.388 15.880 ( -5.175 -0.528 -0.546) 5.230 16.041 ( 4.657 -5.609 -1.178) 7.385 ======================= Grid point 150 (81/148) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -4.468 0.068 1.377) 4.675 0.855 ( -3.041 -0.684 1.531) 3.473 0.914 ( -3.549 1.927 2.601) 4.804 1.125 ( -3.878 3.951 1.799) 5.821 1.213 ( -3.448 3.240 -0.968) 4.830 1.414 ( -6.246 -2.264 -2.251) 7.014 1.460 ( 0.957 3.777 -0.022) 3.897 1.521 ( 1.500 0.124 2.719) 3.108 1.650 ( 3.278 -3.096 2.453) 5.133 1.842 ( -7.583 5.171 2.908) 9.627 1.998 ( 4.670 -2.988 -0.980) 5.630 2.057 ( -4.356 0.061 -4.347) 6.154 2.110 ( -3.638 4.328 -3.165) 6.479 2.289 ( 3.012 -2.848 -0.401) 4.164 2.478 ( -3.726 3.426 1.190) 5.200 2.572 ( -3.288 4.018 2.163) 5.624 2.738 ( -2.818 -1.677 -1.531) 3.619 3.047 ( 8.078 -2.232 3.164) 8.958 3.334 ( 3.652 -1.495 4.131) 5.713 3.425 ( 4.153 -1.971 2.148) 5.074 3.651 ( -3.701 12.538 -0.632) 13.088 3.809 ( -1.200 11.498 1.034) 11.606 3.883 ( -6.298 4.546 -1.763) 7.965 4.015 ( -1.046 -0.645 3.899) 4.088 4.183 ( -0.654 -0.610 -3.604) 3.714 4.303 ( -3.122 -3.968 -3.354) 6.062 4.475 ( 1.499 5.772 -2.273) 6.382 4.634 ( 2.308 3.877 0.207) 4.517 4.708 ( 1.720 0.559 -8.293) 8.488 4.763 ( 3.889 -2.204 -3.198) 5.496 8.428 ( -12.037 8.332 7.058) 16.252 8.983 ( -10.233 -3.947 0.565) 10.982 9.812 ( 9.337 4.522 1.421) 10.471 9.934 ( 9.315 -1.424 3.948) 10.217 10.234 ( 12.859 2.160 3.119) 13.407 10.874 ( 10.713 -10.137 -9.578) 17.586 12.581 ( -4.214 3.834 5.595) 7.985 12.765 ( -6.287 -1.745 -2.298) 6.917 14.214 ( 2.847 5.748 1.331) 6.552 14.247 ( -4.158 3.928 -5.481) 7.922 15.754 ( -7.779 1.849 -0.933) 8.049 16.071 ( 0.187 -7.881 -3.104) 8.472 ======================= Grid point 151 (82/148) ======================= q-point: (-0.22 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -6.365 3.627 3.826) 8.265 0.739 ( -7.528 6.835 4.337) 11.055 1.004 ( 4.506 -4.943 5.252) 8.504 1.085 ( -0.977 0.098 -0.137) 0.991 1.117 ( -5.501 -0.951 -1.230) 5.716 1.306 ( -4.298 -5.566 -0.885) 7.088 1.444 ( -1.202 11.818 -1.445) 11.966 1.582 ( 0.986 3.684 2.769) 4.713 1.725 ( -5.937 8.069 6.923) 12.178 1.733 ( -0.135 -3.015 0.085) 3.019 1.938 ( -0.769 -2.747 -1.884) 3.418 2.023 ( -3.085 3.696 -3.283) 5.827 2.080 ( 3.687 -3.361 -3.405) 6.040 2.282 ( -1.782 -3.676 -0.174) 4.089 2.452 ( -5.301 1.719 1.171) 5.695 2.548 ( 1.405 5.664 4.711) 7.500 2.681 ( -2.314 -4.109 -2.590) 5.380 3.220 ( 7.914 -2.749 4.993) 9.753 3.419 ( 1.021 0.822 0.408) 1.373 3.520 ( 4.114 -0.507 2.823) 5.015 3.601 ( 1.084 11.876 2.374) 12.159 3.789 ( -1.448 10.909 4.266) 11.803 3.825 ( -4.473 5.588 2.895) 7.721 3.936 ( -5.131 -0.412 -2.694) 5.810 4.163 ( 2.116 -2.245 -1.352) 3.368 4.266 ( -1.292 -2.584 -0.680) 2.968 4.516 ( 2.454 4.965 0.736) 5.587 4.683 ( 2.461 2.798 -6.804) 7.757 4.699 ( 3.314 -0.563 1.948) 3.885 4.900 ( 11.442 2.982 3.183) 12.245 8.257 ( -12.635 8.618 6.756) 16.720 8.801 ( -9.307 -3.953 -1.919) 10.292 10.023 ( 12.040 5.424 2.159) 13.381 10.127 ( 8.742 -0.701 3.491) 9.439 10.488 ( 11.664 -1.679 5.207) 12.883 11.049 ( 17.142 -8.800 -9.515) 21.490 12.510 ( -8.541 1.348 4.063) 9.554 12.617 ( -7.776 -0.932 -2.438) 8.202 14.107 ( -3.914 5.353 -3.174) 7.352 14.312 ( 1.620 1.120 3.133) 3.701 15.630 ( -4.344 4.998 -0.670) 6.655 15.994 ( -5.210 -6.719 -4.744) 9.736 ======================= Grid point 152 (83/148) ======================= q-point: (-0.11 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -4.827 7.365 4.155) 9.737 0.689 ( -3.528 7.059 5.489) 9.613 1.003 ( -4.879 -0.703 -1.654) 5.199 1.061 ( 0.402 -1.505 1.459) 2.134 1.146 ( 2.474 -2.165 3.560) 4.846 1.249 ( -0.585 -5.611 -0.908) 5.714 1.411 ( -0.911 8.710 -2.552) 9.122 1.571 ( -4.401 13.916 8.846) 17.066 1.662 ( -4.945 6.012 3.282) 8.448 1.756 ( 2.502 -2.464 0.313) 3.525 1.948 ( -1.153 0.066 -2.998) 3.213 2.008 ( 4.111 -3.066 1.619) 5.378 2.087 ( 0.760 -1.484 -2.941) 3.381 2.266 ( -1.379 -5.938 1.269) 6.227 2.354 ( -3.902 -0.195 0.438) 3.932 2.607 ( -2.440 -0.388 -3.050) 3.925 2.635 ( 2.286 2.739 3.431) 4.950 3.361 ( -2.176 5.845 -1.067) 6.327 3.405 ( 5.247 -2.050 5.952) 8.195 3.619 ( 4.157 2.327 4.224) 6.367 3.655 ( -6.355 3.959 1.023) 7.556 3.771 ( 5.180 2.337 2.867) 6.364 3.827 ( -0.566 13.173 4.546) 13.947 3.924 ( 2.272 5.285 6.292) 8.525 4.190 ( 1.819 -1.566 -2.354) 3.362 4.244 ( -1.250 -1.501 1.544) 2.490 4.559 ( 1.678 3.004 1.570) 3.782 4.700 ( 3.165 5.931 -1.599) 6.910 4.770 ( 2.919 -1.988 2.948) 4.600 5.159 ( 12.984 -1.378 3.433) 13.500 8.114 ( -8.806 8.260 6.263) 13.602 8.642 ( -6.386 -5.008 -2.786) 8.580 10.225 ( 7.437 3.716 2.777) 8.766 10.289 ( 7.846 2.917 1.672) 8.536 10.681 ( 3.375 -1.341 6.851) 7.754 11.301 ( 19.222 -6.724 -10.181) 22.767 12.352 ( -11.185 -2.074 2.414) 11.629 12.459 ( -8.257 -1.594 -2.732) 8.842 14.067 ( 0.671 5.000 0.970) 5.137 14.314 ( -3.294 -1.556 2.954) 4.690 15.609 ( 1.885 6.128 -1.716) 6.637 15.854 ( -5.267 -2.607 -2.827) 6.521 ======================= Grid point 153 (84/148) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.231 4.904 0.062) 4.910 0.799 ( 0.372 1.190 -2.379) 2.686 0.920 ( -2.281 2.924 4.037) 5.482 1.043 ( -0.556 -6.464 1.731) 6.714 1.150 ( 2.758 3.378 3.509) 5.597 1.230 ( 3.869 -3.718 5.152) 7.439 1.515 ( -0.301 6.092 -2.178) 6.477 1.621 ( -0.325 -3.695 -1.608) 4.043 1.820 ( 0.198 3.457 -2.470) 4.254 1.856 ( -2.730 5.149 3.771) 6.941 1.895 ( 1.260 2.448 0.059) 2.754 1.990 ( 1.399 -2.723 2.186) 3.762 2.058 ( -1.495 -0.418 1.265) 2.003 2.143 ( 1.631 -6.489 2.338) 7.088 2.340 ( -0.008 2.425 -3.172) 3.993 2.421 ( -1.256 -5.191 -4.397) 6.918 2.970 ( 2.051 14.636 7.392) 16.524 3.264 ( -1.512 -12.258 5.311) 13.444 3.430 ( -2.095 3.541 1.520) 4.386 3.515 ( -3.335 -4.127 2.010) 5.674 3.845 ( 2.145 7.424 0.121) 7.729 3.973 ( 2.661 -3.195 -0.789) 4.232 4.053 ( 1.078 8.320 2.491) 8.752 4.149 ( 1.685 4.971 1.998) 5.616 4.171 ( 2.859 -2.311 3.345) 4.970 4.241 ( 1.413 -1.749 2.833) 3.617 4.684 ( 4.494 4.857 5.013) 8.301 4.787 ( 4.395 -4.288 6.099) 8.655 4.963 ( 0.138 11.825 3.759) 12.409 5.188 ( 2.079 -9.471 2.972) 10.142 8.226 ( -3.514 8.641 4.608) 10.404 8.400 ( -3.798 -8.083 2.169) 9.190 10.352 ( 0.980 2.770 0.945) 3.087 10.413 ( 1.882 -2.767 -0.185) 3.352 10.940 ( -1.297 18.809 0.129) 18.854 11.309 ( 7.593 -15.613 -6.628) 18.584 12.155 ( -7.620 3.255 2.377) 8.621 12.257 ( -1.755 -5.787 -0.629) 6.080 14.219 ( 4.069 3.056 3.297) 6.064 14.267 ( 1.016 -1.447 2.622) 3.163 15.700 ( -0.203 3.974 -1.789) 4.363 15.774 ( 1.491 -3.240 -2.108) 4.143 ======================= Grid point 154 (85/148) ======================= q-point: ( 0.11 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 5.222 1.669 0.765) 5.536 0.823 ( 3.836 -0.664 -0.331) 3.907 0.944 ( 0.982 5.642 4.775) 7.456 1.064 ( 2.175 -4.621 0.172) 5.110 1.185 ( -0.883 4.897 0.816) 5.042 1.291 ( -0.150 -4.589 0.432) 4.612 1.523 ( 1.844 6.268 0.784) 6.580 1.625 ( 1.590 -2.833 1.816) 3.721 1.790 ( -1.628 1.738 -2.450) 3.417 1.829 ( 0.123 -1.467 -3.363) 3.671 1.939 ( 0.304 7.315 6.182) 9.582 2.028 ( 0.564 -3.561 1.812) 4.035 2.071 ( 1.857 1.557 2.254) 3.309 2.188 ( 1.421 -6.708 1.976) 7.136 2.323 ( 1.130 0.529 -4.335) 4.511 2.366 ( -0.597 -3.139 -5.711) 6.544 3.050 ( -0.232 11.760 7.459) 13.928 3.235 ( -3.986 -3.501 4.088) 6.697 3.401 ( -3.239 0.906 1.361) 3.629 3.469 ( -3.723 -3.952 2.379) 5.928 3.844 ( -2.494 6.219 -1.202) 6.807 3.955 ( -0.378 -1.064 -2.636) 2.868 4.126 ( 3.983 4.744 1.868) 6.469 4.201 ( 3.055 4.480 0.866) 5.491 4.233 ( -0.576 -2.592 2.652) 3.753 4.290 ( 3.229 -1.637 1.652) 3.980 4.820 ( 4.820 5.007 6.542) 9.544 4.901 ( 2.233 -1.352 3.930) 4.718 4.969 ( -2.058 9.508 4.797) 10.847 5.189 ( -3.584 -9.673 1.085) 10.373 8.256 ( 2.753 7.195 4.839) 9.098 8.405 ( 2.032 -7.201 3.191) 8.134 10.321 ( -5.517 2.505 1.100) 6.158 10.373 ( -6.728 -2.406 0.440) 7.159 10.790 ( -12.226 21.478 -2.131) 24.805 11.212 ( -10.894 -18.827 -6.070) 22.583 12.177 ( 6.998 7.238 2.124) 10.289 12.336 ( 8.709 -7.786 0.982) 11.723 14.319 ( 2.714 2.777 0.947) 3.997 14.350 ( 7.173 -0.378 2.911) 7.750 15.705 ( 2.093 3.712 -0.602) 4.303 15.789 ( 2.266 -4.380 -2.970) 5.757 ======================= Grid point 155 (86/148) ======================= q-point: ( 0.22 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 4.622 2.610 1.908) 5.640 0.946 ( 6.879 -1.108 4.375) 8.227 1.022 ( 4.717 4.674 2.402) 7.061 1.111 ( 1.551 -2.846 -0.578) 3.292 1.155 ( 0.516 4.019 -2.743) 4.893 1.260 ( -0.701 -5.956 -2.046) 6.337 1.572 ( 2.081 6.051 1.626) 6.602 1.680 ( 0.015 -4.570 1.073) 4.694 1.741 ( -0.793 4.893 0.244) 4.963 1.800 ( 0.294 -0.001 -4.644) 4.653 1.995 ( 0.136 5.251 6.615) 8.447 2.034 ( -0.936 -2.524 0.434) 2.727 2.114 ( -0.658 -1.954 0.954) 2.272 2.203 ( -1.773 -6.382 0.914) 6.687 2.321 ( 3.162 0.920 -2.604) 4.199 2.360 ( 5.394 -2.108 -3.189) 6.612 3.050 ( -3.593 9.203 2.786) 10.265 3.216 ( -3.623 -6.246 4.886) 8.718 3.348 ( -3.471 3.638 2.445) 5.591 3.413 ( -5.212 -2.513 3.314) 6.668 3.768 ( -3.119 11.039 -2.070) 11.656 3.940 ( 0.172 -1.780 -1.610) 2.406 4.187 ( -2.431 4.337 -0.830) 5.041 4.216 ( 2.806 -4.400 -0.128) 5.220 4.260 ( 2.568 5.330 1.330) 6.064 4.363 ( 3.210 -2.199 1.085) 4.040 4.872 ( -3.760 7.696 -2.462) 8.912 4.917 ( 1.524 2.692 2.505) 3.981 4.997 ( -1.104 -0.816 4.114) 4.337 5.089 ( -7.460 -7.143 -1.048) 10.381 8.385 ( 6.903 6.106 5.560) 10.763 8.515 ( 6.252 -6.453 5.737) 10.660 10.169 ( -13.109 2.922 2.124) 13.598 10.199 ( -12.381 -0.209 1.210) 12.442 10.562 ( -9.507 18.329 -5.594) 21.392 10.946 ( -11.878 -18.012 -6.454) 22.521 12.352 ( 9.353 7.598 2.506) 12.308 12.514 ( 9.257 -7.785 1.796) 12.228 14.354 ( 1.169 7.874 -1.157) 8.044 14.484 ( 5.670 -4.791 0.506) 7.441 15.762 ( 4.398 1.619 -0.363) 4.700 15.813 ( 3.095 -3.162 -2.314) 4.994 ======================= Grid point 156 (87/148) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -1.173 5.318 1.102) 5.556 1.036 ( -0.961 -0.413 -1.182) 1.578 1.098 ( 1.889 3.572 2.764) 4.895 1.126 ( 4.818 -0.094 1.401) 5.018 1.229 ( 7.709 -1.422 -2.368) 8.189 1.296 ( 5.310 -6.253 1.013) 8.266 1.599 ( -0.591 2.241 -0.167) 2.324 1.619 ( -2.987 0.411 -2.697) 4.045 1.739 ( 0.156 5.856 -2.366) 6.318 1.813 ( 1.633 1.228 0.961) 2.258 1.989 ( -3.182 -0.594 -1.768) 3.688 2.026 ( -1.874 5.661 3.347) 6.838 2.080 ( -2.343 -6.823 3.054) 7.834 2.168 ( -0.845 -6.852 -0.035) 6.904 2.421 ( 6.560 1.829 2.076) 7.119 2.466 ( 6.449 -2.399 0.749) 6.921 3.002 ( -2.865 7.825 0.186) 8.335 3.153 ( -5.263 -6.557 0.392) 8.417 3.299 ( -5.656 1.606 3.547) 6.866 3.342 ( -5.447 -2.219 3.121) 6.659 3.748 ( 1.857 13.204 0.549) 13.345 3.929 ( -0.049 -2.248 -1.663) 2.796 4.103 ( -3.953 8.249 -2.144) 9.395 4.253 ( 0.395 -6.039 0.457) 6.069 4.317 ( 2.560 4.808 0.692) 5.491 4.409 ( 1.699 -1.823 -1.147) 2.743 4.774 ( -3.480 5.743 -5.218) 8.504 4.892 ( -4.420 -4.417 -6.099) 8.732 4.930 ( -6.364 1.012 -1.899) 6.717 4.964 ( -4.931 -1.694 -0.794) 5.274 8.558 ( 6.626 6.461 6.700) 11.425 8.695 ( 7.187 -6.813 9.012) 13.390 9.952 ( -11.810 2.962 2.141) 12.363 9.982 ( -12.925 -0.286 1.487) 13.014 10.373 ( -5.907 16.763 -8.331) 19.629 10.726 ( -6.810 -16.833 -8.032) 19.855 12.518 ( 6.736 7.157 3.322) 10.375 12.668 ( 6.267 -7.050 2.116) 9.667 14.345 ( -0.351 10.882 -2.395) 11.148 14.538 ( 1.307 -7.724 -2.770) 8.309 15.836 ( 4.420 0.631 -1.076) 4.593 15.866 ( 3.661 -2.109 -0.485) 4.253 ======================= Grid point 157 (88/148) ======================= q-point: (-0.56 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -4.726 3.533 -2.106) 6.266 0.958 ( -4.485 -3.277 -3.736) 6.694 1.170 ( 2.194 6.595 1.915) 7.210 1.235 ( 4.194 3.804 4.664) 7.335 1.313 ( 3.708 -3.869 -2.828) 6.060 1.371 ( -0.901 -5.595 4.146) 7.022 1.527 ( -4.771 3.231 -3.418) 6.699 1.582 ( -0.804 -1.889 -2.655) 3.357 1.735 ( 0.387 6.114 -2.680) 6.687 1.823 ( 1.180 0.635 -1.840) 2.276 1.949 ( 1.762 1.305 0.511) 2.251 2.039 ( 1.131 1.725 3.742) 4.273 2.085 ( -0.586 -3.523 4.247) 5.549 2.178 ( 0.077 -6.010 2.022) 6.342 2.539 ( 3.848 1.268 3.273) 5.208 2.569 ( 3.237 -1.677 2.816) 4.607 2.947 ( -2.784 4.812 -1.878) 5.868 3.032 ( -7.786 -3.190 -3.039) 8.946 3.236 ( -2.337 1.987 1.888) 3.602 3.288 ( -2.670 -2.815 2.808) 4.789 3.811 ( 2.495 6.841 2.726) 7.776 3.910 ( -0.243 -1.625 -2.280) 2.810 4.054 ( 0.133 12.770 -0.402) 12.777 4.247 ( -1.494 -2.310 0.469) 2.791 4.331 ( -1.464 1.622 -2.063) 3.005 4.391 ( -1.892 -2.646 -3.126) 4.511 4.689 ( -1.384 2.715 -5.331) 6.140 4.725 ( -5.625 -0.290 -6.716) 8.765 4.814 ( -3.893 -0.630 -6.902) 7.949 4.841 ( -5.999 -2.108 -4.847) 7.996 8.695 ( 1.611 8.420 8.574) 12.125 8.873 ( 3.025 -8.709 11.397) 14.659 9.802 ( -7.474 1.078 0.998) 7.617 9.813 ( -5.223 0.032 0.840) 5.290 10.244 ( -0.183 16.828 -9.416) 19.284 10.587 ( -1.172 -16.068 -9.535) 18.720 12.633 ( 3.064 6.324 4.004) 8.088 12.761 ( 2.416 -5.866 2.118) 6.689 14.317 ( -0.344 10.509 -2.657) 10.845 14.496 ( -2.078 -6.774 -5.169) 8.771 15.895 ( 2.288 -0.180 -0.435) 2.336 15.913 ( 2.067 -1.775 -0.515) 2.773 ======================= Grid point 158 (89/148) ======================= q-point: (-0.44 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -2.995 1.420 -0.960) 3.451 0.847 ( -4.238 -3.309 -3.283) 6.300 1.153 ( -5.613 6.876 1.404) 8.987 1.255 ( -5.257 -0.408 0.161) 5.275 1.363 ( 4.141 -0.317 2.877) 5.053 1.391 ( -5.889 2.407 -2.362) 6.786 1.428 ( 1.529 -2.341 3.186) 4.239 1.491 ( -4.736 -3.942 -2.654) 6.709 1.710 ( 0.305 7.610 -4.077) 8.639 1.851 ( 3.807 -4.718 -3.906) 7.212 2.020 ( -0.608 6.759 5.565) 8.776 2.097 ( 2.148 0.711 1.910) 2.961 2.139 ( 3.387 -3.059 2.822) 5.366 2.175 ( -2.232 -4.723 2.111) 5.634 2.585 ( -1.314 1.625 2.024) 2.909 2.614 ( -0.103 -0.875 2.463) 2.616 2.868 ( -6.522 1.911 -2.513) 7.246 2.900 ( -0.029 -1.021 -1.664) 1.953 3.253 ( 2.085 1.401 2.043) 3.238 3.301 ( 1.891 -2.830 2.009) 3.952 3.850 ( -0.043 4.078 1.947) 4.519 3.900 ( 0.903 -0.204 -1.457) 1.726 4.079 ( 1.226 9.516 -0.896) 9.637 4.184 ( -6.203 4.755 -2.138) 8.103 4.240 ( -2.895 0.398 -3.832) 4.819 4.305 ( -5.104 -6.367 -3.779) 8.993 4.618 ( -1.099 4.673 -3.876) 6.170 4.666 ( 1.781 0.058 -2.805) 3.323 4.709 ( -2.092 -1.574 -5.666) 6.242 4.723 ( -1.080 -2.310 -6.704) 7.172 8.726 ( -6.310 10.036 9.511) 15.198 8.936 ( -6.195 -10.037 11.016) 16.139 9.764 ( 2.846 2.180 0.414) 3.609 9.794 ( 3.157 -0.595 -0.113) 3.215 10.241 ( 7.327 14.148 -7.916) 17.790 10.547 ( 5.337 -14.859 -9.978) 18.677 12.682 ( -1.163 5.079 4.195) 6.689 12.781 ( -1.940 -4.364 1.684) 5.064 14.301 ( 0.656 7.213 -1.969) 7.506 14.404 ( -3.298 -2.771 -5.621) 7.082 15.885 ( -2.583 1.258 -0.519) 2.919 15.938 ( 0.794 -3.995 -0.707) 4.134 ======================= Grid point 159 (90/148) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -1.229 0.281 1.307) 1.816 0.798 ( 0.619 -2.663 2.160) 3.484 1.033 ( -8.006 7.273 1.079) 10.870 1.149 ( -6.225 -2.357 0.631) 6.686 1.243 ( -7.928 1.059 -2.389) 8.348 1.297 ( -8.008 -5.076 -1.889) 9.668 1.503 ( 5.743 1.592 3.386) 6.854 1.561 ( 5.712 -3.725 2.705) 7.336 1.692 ( 0.952 10.369 -3.333) 10.933 1.879 ( 2.498 -6.922 -4.046) 8.398 1.983 ( -6.389 5.551 3.051) 8.996 2.055 ( -5.492 -0.823 -1.094) 5.660 2.154 ( -2.446 0.936 1.879) 3.223 2.207 ( 0.743 -4.364 0.773) 4.494 2.563 ( -1.612 4.036 1.583) 4.625 2.615 ( -1.940 -0.680 1.922) 2.814 2.778 ( -2.757 6.351 -0.714) 6.960 2.940 ( 4.429 -7.753 1.237) 9.015 3.330 ( 4.161 1.273 3.083) 5.333 3.376 ( 4.458 -2.687 2.265) 5.677 3.837 ( -1.963 5.989 -1.171) 6.410 3.907 ( 0.133 -0.518 -0.581) 0.790 4.042 ( -3.239 4.364 0.303) 5.443 4.074 ( -3.171 7.473 -2.468) 8.485 4.147 ( -3.783 -2.504 -5.138) 6.854 4.216 ( -1.997 -4.152 -1.164) 4.752 4.602 ( 0.527 5.477 -1.457) 5.692 4.659 ( -0.144 -0.656 -1.749) 1.873 4.699 ( 3.851 0.342 -3.739) 5.378 4.743 ( 7.064 -1.701 -0.215) 7.269 8.626 ( -12.168 10.521 8.388) 18.141 8.838 ( -12.088 -9.491 7.534) 17.116 9.893 ( 10.501 2.758 0.813) 10.888 9.923 ( 10.423 -0.429 0.757) 10.459 10.366 ( 12.199 10.570 -5.196) 16.956 10.625 ( 11.868 -13.395 -8.956) 20.012 12.654 ( -5.613 3.335 3.731) 7.520 12.718 ( -6.288 -2.810 0.856) 6.940 14.300 ( -1.941 2.476 -2.636) 4.105 14.310 ( -1.107 1.542 -2.224) 2.923 15.813 ( -4.450 4.046 -0.739) 6.060 15.921 ( -1.824 -6.444 -1.318) 6.826 ======================= Grid point 160 (91/148) ======================= q-point: (-0.22 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -0.658 4.322 4.433) 6.226 0.860 ( 0.398 -0.405 3.639) 3.683 0.937 ( -2.710 3.793 4.343) 6.371 1.063 ( -3.819 -3.579 0.329) 5.244 1.100 ( -5.003 0.400 -1.611) 5.271 1.161 ( -6.132 -6.575 -0.493) 9.004 1.599 ( 1.222 2.843 -1.016) 3.257 1.647 ( 2.692 -1.574 0.327) 3.136 1.711 ( 3.305 7.625 0.043) 8.311 1.855 ( -0.851 -4.012 -3.240) 5.227 1.900 ( -4.085 4.728 3.529) 7.176 1.996 ( -0.205 -4.330 0.565) 4.371 2.097 ( -4.017 3.589 -0.901) 5.462 2.184 ( -2.961 -4.996 0.481) 5.827 2.504 ( -6.207 3.111 -0.312) 6.950 2.571 ( -3.811 -3.258 -0.606) 5.051 2.781 ( 2.591 12.832 2.944) 13.418 3.057 ( 6.016 -12.281 3.923) 14.227 3.425 ( 2.796 1.350 3.450) 4.641 3.475 ( 3.522 -2.952 3.896) 6.025 3.803 ( 0.639 6.492 -0.824) 6.575 3.866 ( -3.880 0.460 -0.789) 3.986 4.014 ( 0.129 5.091 -0.281) 5.100 4.041 ( 0.374 9.138 1.787) 9.319 4.107 ( 0.714 -2.796 -0.553) 2.938 4.188 ( -0.761 -4.952 0.641) 5.051 4.595 ( 0.276 2.905 -1.446) 3.257 4.652 ( 0.934 -2.419 -1.124) 2.826 4.792 ( 6.006 6.246 1.585) 8.809 4.900 ( 8.990 -3.168 2.959) 9.981 8.457 ( -12.762 10.446 6.611) 17.768 8.663 ( -12.259 -8.996 4.423) 15.836 10.106 ( 11.511 2.415 1.137) 11.816 10.132 ( 11.721 0.057 0.824) 11.750 10.577 ( 14.739 9.757 -2.275) 17.822 10.823 ( 17.469 -12.614 -7.274) 22.742 12.538 ( -10.395 1.741 2.352) 10.799 12.582 ( -9.409 -2.269 0.390) 9.687 14.217 ( -3.505 4.969 -1.472) 6.256 14.297 ( -1.877 -2.533 0.656) 3.220 15.740 ( -2.558 5.647 -0.882) 6.262 15.861 ( -3.219 -6.181 -2.007) 7.253 ======================= Grid point 161 (92/148) ======================= q-point: (-0.11 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -2.793 7.062 1.388) 7.719 0.835 ( -2.909 5.051 0.268) 5.835 0.949 ( -3.142 -1.882 3.381) 4.984 1.045 ( -0.380 -3.228 3.637) 4.878 1.081 ( 0.395 -2.448 0.195) 2.487 1.117 ( 3.063 -4.326 4.612) 7.026 1.556 ( -1.605 5.380 -3.628) 6.685 1.646 ( -1.117 -3.614 -1.875) 4.223 1.788 ( 3.690 5.881 2.155) 7.269 1.851 ( -0.392 6.937 1.170) 7.046 1.904 ( 0.582 -2.407 1.744) 3.029 1.980 ( -2.542 -1.212 -0.406) 2.846 2.061 ( 1.151 -0.199 0.485) 1.265 2.131 ( -3.143 -6.257 1.613) 7.185 2.393 ( -4.257 3.614 -1.805) 5.869 2.488 ( -3.276 -5.541 -3.017) 7.109 2.874 ( 3.224 14.653 5.634) 16.026 3.190 ( 4.294 -14.872 5.606) 16.463 3.456 ( -1.635 3.511 2.244) 4.476 3.535 ( -0.750 -4.443 4.004) 6.028 3.816 ( -0.096 6.812 -0.506) 6.832 3.869 ( 5.785 2.596 1.796) 6.590 4.035 ( 0.645 5.403 1.975) 5.789 4.090 ( 2.050 8.145 3.940) 9.277 4.125 ( 1.202 -3.439 0.418) 3.667 4.199 ( 0.692 -3.112 2.227) 3.889 4.607 ( 1.834 2.950 0.802) 3.565 4.687 ( 2.859 -3.777 2.366) 5.295 4.900 ( 3.721 9.757 3.306) 10.953 5.076 ( 7.230 -6.646 3.890) 10.563 8.304 ( -9.339 9.820 5.220) 14.522 8.498 ( -9.093 -8.676 2.629) 12.840 10.277 ( 6.641 2.446 1.078) 7.158 10.320 ( 8.503 -1.077 0.044) 8.571 10.822 ( 12.624 12.844 0.018) 18.009 11.101 ( 18.819 -12.612 -6.378) 23.535 12.339 ( -12.897 1.341 1.526) 13.056 12.398 ( -11.105 -3.684 -0.379) 11.706 14.173 ( -0.920 5.014 1.479) 5.308 14.262 ( -2.475 -3.498 2.185) 4.810 15.715 ( 0.274 4.339 -1.648) 4.649 15.793 ( -2.236 -3.376 -1.906) 4.476 ======================= Grid point 189 (93/148) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.635 0.000 5.942) 5.975 0.598 ( 1.311 0.000 6.822) 6.947 0.727 ( -5.994 0.000 0.887) 6.059 0.861 ( 4.014 0.000 -3.755) 5.497 1.143 ( -2.157 0.000 2.313) 3.163 1.265 ( 1.171 0.000 -2.317) 2.596 1.425 ( -2.956 0.000 3.142) 4.314 1.515 ( 8.113 0.000 6.513) 10.404 1.654 ( 1.475 0.000 8.682) 8.807 1.851 ( 0.752 0.000 -3.670) 3.746 1.911 ( -2.292 0.000 6.460) 6.854 2.100 ( -0.413 0.000 2.171) 2.210 2.154 ( -7.589 0.000 -6.086) 9.728 2.329 ( 4.060 0.000 5.005) 6.444 2.377 ( -1.794 0.000 -2.624) 3.179 2.417 ( 2.776 0.000 -0.685) 2.859 2.727 ( 4.304 0.000 -2.029) 4.759 2.880 ( -10.755 0.000 -6.098) 12.363 3.208 ( -0.431 0.000 1.332) 1.400 3.300 ( -3.008 0.000 -3.236) 4.418 3.613 ( -0.485 0.000 4.003) 4.032 3.656 ( -2.713 0.000 3.117) 4.133 4.062 ( -5.658 0.000 5.327) 7.771 4.153 ( 11.253 0.000 0.178) 11.254 4.301 ( 3.823 0.000 4.724) 6.077 4.380 ( -2.240 0.000 3.992) 4.578 4.556 ( 5.736 0.000 4.194) 7.105 4.696 ( 0.385 0.000 2.676) 2.704 4.990 ( 4.330 0.000 2.885) 5.203 5.300 ( 5.803 0.000 -10.187) 11.724 8.052 ( -3.132 0.000 8.277) 8.850 8.441 ( 4.813 0.000 -10.763) 11.790 10.244 ( -2.474 0.000 6.133) 6.613 10.349 ( -0.780 0.000 0.331) 0.848 11.010 ( -25.906 0.000 4.629) 26.317 11.362 ( 20.795 0.000 -10.725) 23.397 12.192 ( -12.138 0.000 6.485) 13.761 12.425 ( 8.529 0.000 -4.637) 9.709 14.164 ( 11.216 0.000 4.269) 12.001 14.261 ( -11.293 0.000 -0.392) 11.300 15.537 ( 5.840 0.000 6.554) 8.779 15.794 ( 1.234 0.000 -5.605) 5.740 ======================= Grid point 190 (94/148) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -1.844 0.000 -0.954) 2.076 0.701 ( 7.338 0.000 5.750) 9.322 0.764 ( 9.843 0.000 5.071) 11.073 0.947 ( 6.709 0.000 -3.768) 7.694 1.096 ( -5.653 0.000 3.693) 6.752 1.222 ( -1.182 0.000 -3.039) 3.261 1.413 ( -2.381 0.000 2.390) 3.374 1.658 ( 3.855 0.000 -0.356) 3.872 1.714 ( 0.485 0.000 1.850) 1.913 1.808 ( -1.839 0.000 -4.043) 4.442 1.990 ( 2.117 0.000 9.475) 9.709 2.030 ( -1.644 0.000 -2.910) 3.342 2.159 ( 4.820 0.000 7.820) 9.186 2.319 ( -2.641 0.000 -2.642) 3.735 2.407 ( 2.987 0.000 1.825) 3.501 2.466 ( 3.677 0.000 -2.720) 4.574 2.630 ( -10.992 0.000 -6.914) 12.986 2.859 ( 8.459 0.000 4.888) 9.770 3.231 ( -1.907 0.000 -1.953) 2.729 3.243 ( 1.847 0.000 3.651) 4.092 3.622 ( -3.349 0.000 2.163) 3.987 3.629 ( -1.755 0.000 5.005) 5.303 3.915 ( -12.308 0.000 0.300) 12.312 4.289 ( 2.854 0.000 1.294) 3.133 4.330 ( -4.469 0.000 -0.576) 4.506 4.420 ( 7.343 0.000 0.461) 7.358 4.669 ( -2.184 0.000 -4.216) 4.748 4.714 ( 6.218 0.000 5.227) 8.123 5.067 ( 1.663 0.000 1.571) 2.288 5.222 ( -3.084 0.000 -14.311) 14.640 8.109 ( 2.508 0.000 7.264) 7.685 8.491 ( 10.263 0.000 -10.564) 14.728 10.163 ( -13.864 0.000 11.923) 18.286 10.287 ( -6.161 0.000 -0.982) 6.238 10.593 ( -23.864 0.000 4.974) 24.377 11.565 ( 7.504 0.000 -7.770) 10.802 12.088 ( -3.280 0.000 7.400) 8.094 12.566 ( 10.537 0.000 -3.973) 11.261 14.059 ( -10.103 0.000 -1.220) 10.176 14.419 ( 13.249 0.000 3.588) 13.726 15.705 ( 7.782 0.000 4.733) 9.108 15.762 ( 1.679 0.000 -10.249) 10.386 ======================= Grid point 191 (95/148) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 1.141 0.000 -0.075) 1.143 0.904 ( 9.983 0.000 4.874) 11.109 0.962 ( -1.271 0.000 -3.407) 3.636 0.990 ( 4.454 0.000 4.609) 6.409 1.026 ( 1.709 0.000 2.568) 3.084 1.228 ( 1.875 0.000 -3.272) 3.771 1.389 ( 1.520 0.000 0.141) 1.527 1.625 ( -7.165 0.000 2.598) 7.621 1.735 ( 3.887 0.000 -7.822) 8.735 1.760 ( -0.728 0.000 -1.882) 2.018 2.032 ( 2.050 0.000 0.384) 2.086 2.061 ( -0.735 0.000 7.776) 7.811 2.224 ( -5.572 0.000 -4.680) 7.276 2.365 ( 7.925 0.000 6.068) 9.981 2.378 ( -5.991 0.000 -10.135) 11.773 2.502 ( 7.391 0.000 2.488) 7.799 2.547 ( 2.579 0.000 2.553) 3.629 3.049 ( 6.358 0.000 7.243) 9.637 3.217 ( 0.731 0.000 1.125) 1.342 3.310 ( 1.310 0.000 3.118) 3.382 3.571 ( -3.255 0.000 -0.224) 3.263 3.627 ( -2.618 0.000 4.482) 5.191 3.685 ( -12.594 0.000 2.974) 12.940 4.231 ( -5.311 0.000 -1.773) 5.599 4.294 ( -2.700 0.000 0.827) 2.824 4.506 ( 2.132 0.000 -6.477) 6.819 4.601 ( 1.985 0.000 -6.282) 6.588 4.809 ( 1.881 0.000 -2.305) 2.975 5.013 ( -7.165 0.000 -12.588) 14.484 5.052 ( -2.741 0.000 -3.373) 4.346 8.232 ( 5.095 0.000 5.861) 7.766 8.633 ( 14.652 0.000 -10.275) 17.896 10.002 ( -16.318 0.000 20.469) 26.177 10.123 ( -10.349 0.000 -2.763) 10.711 10.262 ( -17.611 0.000 2.064) 17.731 11.489 ( -8.322 0.000 -4.130) 9.290 12.199 ( 7.554 0.000 5.788) 9.516 12.713 ( 9.355 0.000 -4.407) 10.341 13.905 ( -6.539 0.000 -0.244) 6.543 14.625 ( 7.455 0.000 -1.825) 7.675 15.722 ( 3.883 0.000 -9.230) 10.014 15.868 ( 7.040 0.000 3.001) 7.653 ======================= Grid point 192 (96/148) ======================= q-point: ( 0.33 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 3.378 0.000 2.005) 3.928 0.901 ( -1.370 0.000 -3.347) 3.616 0.934 ( -4.319 0.000 2.116) 4.809 1.059 ( 0.541 0.000 1.321) 1.428 1.236 ( 5.399 0.000 1.722) 5.667 1.249 ( 11.497 0.000 2.713) 11.812 1.473 ( 5.531 0.000 -2.508) 6.073 1.489 ( -10.252 0.000 4.765) 11.306 1.722 ( 1.683 0.000 -8.011) 8.186 1.763 ( 2.657 0.000 0.554) 2.714 2.023 ( -7.238 0.000 -1.660) 7.426 2.088 ( -1.355 0.000 3.357) 3.620 2.132 ( 3.778 0.000 -1.847) 4.206 2.239 ( -2.930 0.000 -6.623) 7.242 2.465 ( 2.231 0.000 -0.206) 2.240 2.634 ( 4.889 0.000 2.553) 5.516 2.659 ( 4.279 0.000 0.753) 4.345 3.159 ( -2.567 0.000 4.462) 5.147 3.209 ( -6.353 0.000 -3.498) 7.252 3.265 ( 2.204 0.000 3.890) 4.471 3.567 ( -1.969 0.000 1.405) 2.419 3.603 ( -3.705 0.000 3.117) 4.842 3.645 ( 4.809 0.000 12.938) 13.803 4.137 ( -3.835 0.000 -0.671) 3.894 4.221 ( -4.481 0.000 -2.100) 4.948 4.427 ( -1.682 0.000 -8.297) 8.466 4.628 ( 4.066 0.000 -6.343) 7.534 4.654 ( -9.589 0.000 -14.471) 17.359 4.889 ( -1.412 0.000 -4.246) 4.474 4.927 ( -5.551 0.000 -8.829) 10.429 8.361 ( 4.373 0.000 5.718) 7.198 8.825 ( 15.312 0.000 -10.653) 18.654 9.908 ( -10.402 0.000 -3.407) 10.946 9.961 ( -7.642 0.000 24.996) 26.138 9.987 ( -14.988 0.000 0.954) 15.018 11.278 ( -10.754 0.000 -5.022) 11.869 12.376 ( 6.702 0.000 5.751) 8.832 12.815 ( 6.264 0.000 -5.298) 8.204 13.832 ( -2.243 0.000 1.775) 2.860 14.611 ( -3.675 0.000 -9.735) 10.406 15.798 ( 10.317 0.000 -3.903) 11.030 15.982 ( 3.199 0.000 2.229) 3.899 ======================= Grid point 193 (97/148) ======================= q-point: (-0.56 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 4.823 0.000 3.789) 6.134 0.869 ( 0.059 0.000 -2.173) 2.173 0.891 ( -1.515 0.000 -0.233) 1.533 0.998 ( -4.762 0.000 -0.982) 4.862 1.289 ( -9.678 0.000 4.339) 10.606 1.391 ( 4.494 0.000 4.390) 6.283 1.513 ( 7.832 0.000 6.152) 9.959 1.517 ( 6.158 0.000 -5.132) 8.017 1.676 ( -0.238 0.000 -6.770) 6.774 1.847 ( -4.538 0.000 -1.418) 4.755 1.884 ( 2.773 0.000 1.337) 3.079 2.052 ( -4.517 0.000 -0.040) 4.518 2.169 ( 0.439 0.000 -3.613) 3.640 2.237 ( 6.467 0.000 1.808) 6.715 2.443 ( -4.011 0.000 -5.035) 6.438 2.577 ( -8.276 0.000 -5.804) 10.108 2.760 ( 7.247 0.000 2.680) 7.726 2.971 ( -9.308 0.000 -0.701) 9.334 3.303 ( 5.968 0.000 5.891) 8.386 3.343 ( 2.432 0.000 5.195) 5.736 3.535 ( -5.947 0.000 1.184) 6.064 3.545 ( -0.512 0.000 0.171) 0.540 3.895 ( 9.447 0.000 14.121) 16.990 4.082 ( -3.548 0.000 0.660) 3.609 4.134 ( -2.498 0.000 -2.879) 3.811 4.343 ( -1.970 0.000 -5.660) 5.993 4.381 ( -8.277 0.000 -10.544) 13.405 4.612 ( -1.279 0.000 -7.719) 7.824 4.762 ( -2.282 0.000 -10.872) 11.109 4.809 ( -3.176 0.000 -6.808) 7.512 8.468 ( 1.680 0.000 7.438) 7.625 8.957 ( 8.089 0.000 -12.211) 14.647 9.760 ( -2.398 0.000 -1.965) 3.100 9.760 ( -10.891 0.000 1.631) 11.012 10.116 ( 2.860 0.000 24.789) 24.953 11.057 ( -8.020 0.000 -8.533) 11.710 12.510 ( 3.126 0.000 6.230) 6.971 12.845 ( 2.080 0.000 -6.179) 6.520 13.858 ( 2.497 0.000 4.591) 5.227 14.401 ( -8.799 0.000 -12.471) 15.263 15.979 ( 11.501 0.000 -2.283) 11.725 16.001 ( -2.942 0.000 1.574) 3.337 ======================= Grid point 194 (98/148) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -4.520 0.000 -0.609) 4.561 0.863 ( -1.439 0.000 -1.617) 2.164 0.896 ( 4.695 0.000 4.001) 6.169 0.935 ( 0.768 0.000 -1.418) 1.612 1.171 ( -8.110 0.000 9.379) 12.399 1.418 ( -1.249 0.000 1.091) 1.658 1.560 ( -4.477 0.000 -4.696) 6.488 1.651 ( 3.861 0.000 -1.566) 4.167 1.681 ( -2.096 0.000 -6.006) 6.361 1.725 ( 7.643 0.000 3.409) 8.368 1.923 ( -9.893 0.000 -0.477) 9.904 1.993 ( 3.669 0.000 2.748) 4.584 2.228 ( -10.863 0.000 -6.437) 12.627 2.229 ( 7.070 0.000 3.041) 7.696 2.370 ( 5.902 0.000 3.005) 6.623 2.428 ( -5.083 0.000 -5.337) 7.371 2.841 ( -4.847 0.000 -0.933) 4.936 2.924 ( 8.758 0.000 2.462) 9.098 3.362 ( -7.685 0.000 2.724) 8.154 3.434 ( 2.887 0.000 4.696) 5.512 3.482 ( 2.763 0.000 2.239) 3.556 3.563 ( 3.476 0.000 -1.648) 3.847 3.971 ( -8.129 0.000 0.077) 8.130 4.098 ( -0.671 0.000 0.052) 0.673 4.162 ( 8.258 0.000 12.545) 15.019 4.265 ( -2.395 0.000 -4.977) 5.523 4.277 ( 0.946 0.000 -0.345) 1.007 4.451 ( -6.146 0.000 -10.773) 12.402 4.684 ( -4.219 0.000 -6.962) 8.141 4.725 ( 3.456 0.000 -5.572) 6.557 8.505 ( -5.627 0.000 8.959) 10.580 8.903 ( -2.141 0.000 -12.640) 12.820 9.663 ( -0.859 0.000 2.188) 2.351 9.818 ( 8.968 0.000 -0.809) 9.004 10.422 ( 10.563 0.000 23.096) 25.397 10.883 ( -2.227 0.000 -12.393) 12.591 12.576 ( -1.139 0.000 6.470) 6.570 12.792 ( -2.349 0.000 -6.872) 7.262 13.987 ( 6.563 0.000 7.592) 10.036 14.156 ( -8.058 0.000 -10.596) 13.312 15.903 ( -8.929 0.000 0.745) 8.960 16.126 ( 7.188 0.000 -4.144) 8.297 ======================= Grid point 195 (99/148) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -7.104 0.000 0.694) 7.138 0.805 ( -4.808 0.000 1.166) 4.947 0.983 ( 1.737 0.000 4.429) 4.757 0.988 ( 5.475 0.000 -1.398) 5.651 1.157 ( -2.892 0.000 7.112) 7.677 1.343 ( -9.265 0.000 -1.091) 9.329 1.410 ( -7.414 0.000 -2.515) 7.829 1.535 ( -2.544 0.000 -0.984) 2.728 1.710 ( -14.053 0.000 2.949) 14.359 1.777 ( 6.924 0.000 -6.910) 9.783 1.874 ( 5.767 0.000 3.566) 6.780 2.062 ( -4.396 0.000 -1.414) 4.617 2.082 ( 4.814 0.000 2.722) 5.530 2.297 ( -4.487 0.000 -6.059) 7.540 2.411 ( 6.833 0.000 4.185) 8.013 2.484 ( 4.542 0.000 5.775) 7.347 2.780 ( -0.901 0.000 -2.897) 3.034 3.065 ( 2.459 0.000 2.004) 3.172 3.241 ( -3.346 0.000 1.900) 3.847 3.464 ( -0.216 0.000 -1.891) 1.903 3.576 ( 4.295 0.000 1.610) 4.587 3.624 ( 2.962 0.000 0.127) 2.965 3.866 ( -5.380 0.000 5.310) 7.559 4.067 ( -4.742 0.000 -1.026) 4.852 4.166 ( -3.211 0.000 -5.911) 6.727 4.293 ( 1.300 0.000 4.339) 4.529 4.347 ( 2.800 0.000 -3.312) 4.337 4.397 ( 4.416 0.000 7.068) 8.334 4.624 ( 3.722 0.000 0.904) 3.830 4.764 ( 3.550 0.000 -1.150) 3.732 8.404 ( -12.935 0.000 9.284) 15.922 8.743 ( -4.413 0.000 -11.658) 12.465 9.759 ( 8.375 0.000 3.065) 8.918 10.007 ( 11.635 0.000 -0.102) 11.636 10.804 ( 5.798 0.000 -15.320) 16.380 10.821 ( 15.576 0.000 19.056) 24.611 12.569 ( -5.220 0.000 6.361) 8.228 12.663 ( -5.816 0.000 -7.377) 9.393 13.979 ( -4.309 0.000 -6.339) 7.664 14.187 ( 7.964 0.000 9.556) 12.439 15.715 ( -12.307 0.000 0.368) 12.313 16.145 ( -0.725 0.000 -6.673) 6.713 ======================= Grid point 196 (100/148) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -5.704 0.000 2.446) 6.207 0.719 ( -7.877 0.000 5.316) 9.504 1.019 ( -7.002 0.000 5.137) 8.685 1.081 ( 3.064 0.000 -1.774) 3.540 1.086 ( -1.588 0.000 -1.005) 1.879 1.130 ( -8.419 0.000 -2.454) 8.769 1.342 ( -2.013 0.000 2.563) 3.259 1.516 ( -1.548 0.000 1.255) 1.993 1.545 ( -8.325 0.000 10.354) 13.286 1.821 ( 4.448 0.000 -6.212) 7.640 1.967 ( -1.144 0.000 5.303) 5.425 2.048 ( 3.953 0.000 1.837) 4.359 2.187 ( -2.814 0.000 -5.680) 6.339 2.194 ( 5.870 0.000 0.661) 5.907 2.462 ( -0.619 0.000 -0.315) 0.694 2.573 ( -2.894 0.000 2.483) 3.813 2.752 ( 0.821 0.000 -4.891) 4.960 3.065 ( -1.566 0.000 7.296) 7.462 3.305 ( 5.060 0.000 0.527) 5.087 3.392 ( -4.293 0.000 -6.782) 8.026 3.621 ( 0.258 0.000 -1.486) 1.508 3.655 ( 0.104 0.000 2.120) 2.123 3.876 ( -1.021 0.000 12.885) 12.926 3.941 ( -1.925 0.000 -7.427) 7.672 4.132 ( 0.640 0.000 2.042) 2.140 4.341 ( -0.247 0.000 5.740) 5.745 4.453 ( 6.765 0.000 4.700) 8.237 4.456 ( 1.822 0.000 -0.154) 1.828 4.825 ( 3.261 0.000 1.278) 3.503 4.853 ( 14.918 0.000 7.593) 16.739 8.233 ( -13.538 0.000 9.139) 16.334 8.590 ( -2.930 0.000 -10.868) 11.256 9.961 ( 10.418 0.000 4.263) 11.257 10.194 ( 8.806 0.000 0.724) 8.836 10.864 ( 14.945 0.000 -16.072) 21.947 11.203 ( 12.262 0.000 11.053) 16.508 12.492 ( -6.394 0.000 -7.528) 9.877 12.493 ( -8.752 0.000 6.034) 10.630 13.918 ( 0.923 0.000 -1.548) 1.803 14.375 ( 4.113 0.000 8.614) 9.545 15.513 ( -10.162 0.000 1.692) 10.302 16.010 ( -7.863 0.000 -5.870) 9.813 ======================= Grid point 197 (101/148) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -3.149 0.000 4.761) 5.708 0.616 ( -8.677 0.000 7.944) 11.764 0.854 ( -9.385 0.000 0.985) 9.436 0.914 ( -6.615 0.000 -4.052) 7.757 1.133 ( 1.498 0.000 2.331) 2.771 1.202 ( 5.835 0.000 -0.319) 5.843 1.358 ( 2.385 0.000 5.711) 6.189 1.478 ( -3.784 0.000 1.193) 3.967 1.566 ( -1.189 0.000 12.299) 12.356 1.846 ( 2.940 0.000 -4.229) 5.150 1.941 ( -4.988 0.000 5.386) 7.341 2.117 ( -1.044 0.000 -3.199) 3.365 2.186 ( 6.568 0.000 5.670) 8.677 2.274 ( 2.376 0.000 -3.028) 3.849 2.410 ( -3.968 0.000 -1.740) 4.332 2.459 ( -5.654 0.000 -1.857) 5.951 2.725 ( 0.875 0.000 -5.838) 5.903 3.059 ( -6.137 0.000 1.563) 6.333 3.258 ( -4.693 0.000 -3.245) 5.706 3.353 ( -0.007 0.000 -1.218) 1.218 3.599 ( -0.221 0.000 -0.296) 0.369 3.667 ( -1.321 0.000 3.258) 3.516 3.964 ( 8.732 0.000 -2.160) 8.995 4.006 ( 1.812 0.000 14.553) 14.665 4.200 ( 3.336 0.000 4.752) 5.807 4.367 ( -1.588 0.000 5.743) 5.958 4.485 ( 2.282 0.000 -1.094) 2.531 4.609 ( 4.853 0.000 6.897) 8.433 4.898 ( 3.757 0.000 1.940) 4.228 5.159 ( 14.605 0.000 -0.802) 14.627 8.097 ( -9.314 0.000 8.814) 12.823 8.481 ( 0.174 0.000 -10.699) 10.701 10.157 ( 6.835 0.000 4.987) 8.461 10.314 ( 4.140 0.000 0.801) 4.216 11.074 ( 21.319 0.000 -13.899) 25.449 11.313 ( -8.404 0.000 3.828) 9.235 12.359 ( -11.527 0.000 5.862) 12.932 12.375 ( 0.772 0.000 -6.328) 6.375 13.984 ( 6.221 0.000 2.092) 6.563 14.413 ( -5.761 0.000 3.614) 6.800 15.436 ( -0.969 0.000 5.341) 5.428 15.848 ( -5.125 0.000 -2.644) 5.767 ======================= Grid point 198 (102/148) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 1.109 2.805 6.977) 7.601 0.674 ( -0.196 6.875 5.847) 9.027 0.847 ( 1.705 1.840 -4.206) 4.898 0.860 ( -3.344 8.194 -3.340) 9.459 1.157 ( -1.679 1.206 2.491) 3.237 1.287 ( 1.022 1.833 -2.208) 3.046 1.424 ( -1.177 -0.189 4.484) 4.640 1.588 ( 5.827 5.194 3.070) 8.388 1.663 ( -0.000 1.289 6.860) 6.980 1.840 ( -0.237 -0.720 -3.749) 3.825 1.926 ( -1.787 0.602 7.782) 8.008 2.044 ( 0.494 -1.855 1.393) 2.372 2.238 ( -2.639 1.566 -4.232) 5.227 2.274 ( 1.284 -4.103 3.060) 5.277 2.365 ( -0.992 -1.205 -1.949) 2.497 2.433 ( 0.529 1.614 -1.297) 2.137 2.721 ( 4.676 1.094 1.985) 5.197 2.974 ( -8.177 8.790 -7.032) 13.913 3.355 ( 0.294 11.297 1.135) 11.357 3.462 ( -5.075 14.386 -4.060) 15.786 3.635 ( 2.438 2.318 4.435) 5.567 3.680 ( -4.404 3.209 2.955) 6.199 4.015 ( -2.574 -4.619 4.972) 7.258 4.128 ( 7.678 -1.870 0.297) 7.908 4.289 ( 3.326 -0.770 4.854) 5.934 4.380 ( -0.942 -0.537 3.327) 3.499 4.595 ( 5.707 3.449 4.007) 7.780 4.718 ( -0.259 2.434 2.896) 3.792 4.982 ( 4.368 -0.547 4.169) 6.063 5.300 ( 4.931 -0.129 -8.885) 10.162 8.088 ( -3.169 3.506 8.041) 9.327 8.453 ( 3.757 0.954 -9.574) 10.329 10.298 ( -0.875 4.706 4.545) 6.601 10.360 ( -0.584 1.013 0.934) 1.497 10.906 ( -21.962 -7.654 8.033) 24.605 11.347 ( 18.851 -1.654 -12.249) 22.542 12.219 ( -13.063 1.543 4.659) 13.954 12.395 ( 8.040 -2.714 -3.485) 9.174 14.182 ( 10.264 1.720 4.145) 11.202 14.276 ( -9.355 1.294 -0.289) 9.449 15.564 ( 4.189 2.387 5.018) 6.959 15.787 ( 1.215 -0.677 -5.140) 5.325 ======================= Grid point 199 (103/148) ======================= q-point: ( 0.11 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -0.830 5.056 1.158) 5.252 0.775 ( 7.644 2.785 4.309) 9.206 0.854 ( 4.823 8.732 1.502) 10.088 0.934 ( 8.267 -1.132 -2.564) 8.729 1.118 ( -5.068 2.058 2.544) 6.032 1.247 ( -1.382 2.690 -2.039) 3.648 1.463 ( 0.788 2.510 3.930) 4.729 1.661 ( 0.507 0.281 -1.984) 2.067 1.704 ( 1.148 -0.348 0.399) 1.264 1.804 ( -0.516 -0.560 -2.538) 2.650 1.963 ( -2.198 -0.170 6.892) 7.236 2.091 ( 3.669 2.915 2.072) 5.124 2.219 ( 2.466 3.214 2.880) 4.970 2.238 ( -2.344 -5.090 -2.064) 5.972 2.381 ( 0.368 -3.572 -0.512) 3.628 2.450 ( 2.835 -2.084 -1.494) 3.823 2.718 ( -7.217 8.144 -4.371) 11.727 2.925 ( 7.869 6.965 3.927) 11.219 3.334 ( -4.836 10.325 -1.441) 11.492 3.409 ( 1.964 11.265 3.577) 11.981 3.617 ( -4.563 3.313 1.975) 5.975 3.699 ( 0.419 4.968 4.356) 6.621 3.885 ( -11.730 -2.576 0.330) 12.014 4.274 ( 5.395 -2.342 -0.611) 5.913 4.327 ( -2.877 0.113 0.650) 2.951 4.398 ( 4.197 -2.039 0.635) 4.710 4.684 ( -2.691 1.709 -3.610) 4.816 4.744 ( 5.699 2.776 4.458) 7.749 5.064 ( 1.183 -0.124 2.566) 2.828 5.223 ( -3.351 0.076 -12.933) 13.361 8.145 ( 2.645 3.428 7.237) 8.433 8.500 ( 9.600 0.627 -8.741) 12.998 10.229 ( -12.536 5.959 8.969) 16.526 10.305 ( -6.219 1.875 -0.033) 6.496 10.545 ( -22.251 -3.794 5.795) 23.304 11.503 ( 5.123 -5.879 -9.495) 12.286 12.105 ( -2.339 1.481 6.623) 7.178 12.547 ( 10.703 -1.981 -2.495) 11.167 14.105 ( -8.449 4.199 -1.631) 9.575 14.419 ( 12.303 -0.063 3.212) 12.716 15.687 ( 5.186 -1.035 2.139) 5.704 15.773 ( 3.159 0.439 -6.834) 7.542 ======================= Grid point 200 (104/148) ======================= q-point: ( 0.22 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 1.785 6.018 0.209) 6.280 0.946 ( 6.556 1.577 -1.366) 6.880 0.970 ( 0.663 2.222 4.091) 4.703 1.043 ( 6.886 3.045 2.175) 7.837 1.053 ( 0.046 3.168 1.414) 3.469 1.268 ( 5.159 2.308 -1.552) 5.861 1.489 ( -0.301 7.696 1.158) 7.788 1.603 ( -4.343 -2.008 0.650) 4.829 1.690 ( -1.236 -2.143 -5.008) 5.586 1.786 ( 0.675 0.781 -2.164) 2.397 1.973 ( -0.383 -1.271 4.052) 4.264 2.153 ( 0.901 3.595 1.855) 4.145 2.176 ( -2.431 -3.124 -4.028) 5.647 2.314 ( -4.229 -3.791 -4.854) 7.471 2.365 ( 7.089 -0.373 5.095) 8.738 2.509 ( 3.737 -3.201 1.400) 5.116 2.630 ( 1.587 8.730 -1.897) 9.074 3.097 ( 4.743 6.259 4.984) 9.301 3.291 ( -0.120 7.385 3.304) 8.091 3.473 ( 0.470 3.602 5.589) 6.665 3.548 ( -3.560 9.453 -2.455) 10.395 3.655 ( -11.859 -2.651 2.807) 12.472 3.726 ( -1.917 6.589 3.564) 7.733 4.227 ( -4.719 -0.256 -1.807) 5.059 4.318 ( -1.408 1.842 -0.923) 2.495 4.482 ( 4.853 -3.368 -3.427) 6.830 4.594 ( -1.430 0.648 -7.102) 7.273 4.827 ( 1.566 1.666 -1.916) 2.984 5.008 ( -7.158 -0.351 -12.193) 14.143 5.054 ( -3.885 0.297 -2.950) 4.887 8.274 ( 5.487 3.895 6.163) 9.125 8.650 ( 14.402 1.315 -7.997) 16.526 10.045 ( -17.333 4.243 17.160) 24.757 10.147 ( -10.683 2.147 -1.476) 10.996 10.246 ( -15.501 -1.173 1.042) 15.581 11.388 ( -8.682 -9.442 -6.143) 14.222 12.224 ( 7.766 2.410 5.677) 9.917 12.705 ( 9.176 -0.980 -2.798) 9.643 13.970 ( -5.539 6.013 -0.962) 8.232 14.610 ( 7.024 -1.551 -1.794) 7.414 15.716 ( 3.980 -0.386 -7.232) 8.264 15.863 ( 6.370 -0.632 2.056) 6.723 ======================= Grid point 201 (105/148) ======================= q-point: ( 0.33 0.14 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 3.676 6.582 2.188) 7.850 0.897 ( -3.334 0.396 -1.946) 3.881 0.985 ( -1.256 4.258 1.029) 4.557 1.127 ( 1.860 5.227 1.412) 5.725 1.224 ( 8.369 -2.387 1.071) 8.769 1.355 ( 3.937 7.035 0.777) 8.099 1.481 ( 2.296 1.821 -1.217) 3.174 1.533 ( -6.720 3.248 3.284) 8.154 1.649 ( 1.783 -4.202 -3.971) 6.050 1.800 ( 2.667 0.917 -0.373) 2.845 1.996 ( -2.654 -1.188 1.691) 3.364 2.054 ( -2.931 -3.203 -4.909) 6.554 2.179 ( 0.009 3.563 1.470) 3.855 2.227 ( -0.449 -0.397 -5.495) 5.527 2.481 ( 2.621 0.575 1.628) 3.139 2.601 ( 4.711 -2.661 2.247) 5.859 2.689 ( 3.602 3.154 -1.003) 4.891 3.170 ( 1.469 1.949 3.812) 4.527 3.217 ( -10.903 3.357 -2.554) 11.690 3.466 ( -1.664 12.538 1.232) 12.707 3.509 ( -1.795 -1.969 2.903) 3.941 3.645 ( 4.009 2.479 11.124) 12.082 3.715 ( -1.832 6.137 2.995) 7.070 4.146 ( -3.140 1.273 -0.424) 3.415 4.243 ( -3.981 1.904 -4.406) 6.236 4.467 ( -0.788 3.110 -5.921) 6.734 4.579 ( 3.591 -4.355 -5.863) 8.138 4.679 ( -9.844 2.487 -13.457) 16.857 4.859 ( -2.376 -2.484 -6.595) 7.437 4.931 ( -5.648 0.185 -6.248) 8.425 8.414 ( 4.757 4.927 6.276) 9.289 8.857 ( 15.459 2.735 -8.632) 17.915 9.920 ( -10.187 1.054 0.538) 10.256 9.961 ( -11.321 0.181 15.703) 19.359 9.998 ( -12.446 1.380 2.871) 12.847 11.167 ( -9.927 -10.299 -6.794) 15.835 12.403 ( 6.876 2.658 5.801) 9.381 12.814 ( 5.873 -0.346 -3.760) 6.982 13.903 ( -1.808 6.625 0.909) 6.927 14.601 ( -3.105 -1.044 -8.736) 9.330 15.793 ( 9.414 -0.381 -3.408) 10.019 15.967 ( 3.134 -1.465 1.879) 3.936 ======================= Grid point 202 (106/148) ======================= q-point: (-0.56 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.421 0.977 3.145) 3.321 0.878 ( 3.186 3.770 -0.280) 4.944 0.956 ( -1.315 5.116 -1.848) 5.596 1.088 ( -4.943 7.794 -1.639) 9.374 1.266 ( -4.844 -1.651 3.716) 6.325 1.434 ( -0.971 1.645 1.262) 2.289 1.473 ( 3.813 0.566 5.742) 6.916 1.597 ( 7.263 1.515 -3.206) 8.082 1.641 ( 2.946 -0.983 -4.370) 5.361 1.809 ( -6.488 -3.030 -1.895) 7.407 1.933 ( 2.399 4.814 2.070) 5.764 2.046 ( -0.876 -1.602 -0.301) 1.850 2.186 ( 0.504 -0.668 -1.091) 1.374 2.218 ( 3.192 1.360 -1.671) 3.851 2.493 ( -1.256 3.506 -1.687) 4.089 2.593 ( -6.107 1.322 -4.501) 7.701 2.769 ( 7.359 1.056 1.572) 7.599 2.982 ( -10.628 0.868 -1.163) 10.727 3.280 ( 4.837 -1.272 5.687) 7.573 3.447 ( -2.520 3.827 3.547) 5.794 3.510 ( 0.950 4.669 0.831) 4.836 3.650 ( -4.028 7.446 -0.473) 8.479 3.892 ( 8.653 -0.288 13.209) 15.793 4.096 ( -3.892 1.871 0.296) 4.328 4.148 ( -2.124 1.200 -4.223) 4.877 4.407 ( -3.279 4.245 -5.592) 7.748 4.419 ( -5.647 4.950 -7.839) 10.856 4.565 ( -0.846 -4.405 -7.093) 8.392 4.735 ( -2.106 -2.389 -10.285) 10.767 4.797 ( -4.233 -1.068 -6.720) 8.013 8.527 ( 1.444 5.572 7.997) 9.854 9.009 ( 8.524 4.573 -10.921) 14.590 9.768 ( -5.824 0.820 -0.371) 5.893 9.774 ( -7.645 1.157 0.097) 7.733 10.068 ( 1.248 -4.029 21.910) 22.313 10.955 ( -6.500 -9.484 -9.781) 15.095 12.541 ( 3.418 2.942 6.230) 7.691 12.849 ( 1.761 0.166 -4.837) 5.150 13.926 ( 2.486 6.250 3.614) 7.636 14.413 ( -8.067 0.947 -11.308) 13.923 15.954 ( 8.838 -2.061 -1.408) 9.184 15.989 ( -1.103 -1.297 0.713) 1.846 ======================= Grid point 203 (107/148) ======================= q-point: (-0.44 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -1.461 -1.037 0.604) 1.890 0.903 ( 2.864 -0.270 -0.797) 2.985 0.933 ( -5.933 5.555 0.417) 8.138 1.017 ( 2.641 9.700 0.509) 10.066 1.200 ( -7.041 2.770 8.601) 11.455 1.410 ( -1.135 -0.367 0.209) 1.211 1.553 ( -1.933 -1.160 -1.990) 3.007 1.625 ( -6.710 -4.344 -4.012) 8.943 1.665 ( 6.213 -0.988 3.243) 7.078 1.759 ( 7.732 3.810 -5.074) 10.002 1.947 ( -7.090 2.409 1.875) 7.720 2.019 ( 1.018 2.645 1.280) 3.110 2.183 ( -6.269 -3.095 -2.902) 7.570 2.248 ( 4.812 0.563 -0.039) 4.845 2.451 ( -0.770 5.194 -0.310) 5.260 2.476 ( -1.037 5.589 -1.903) 5.994 2.830 ( -5.968 -0.951 -0.830) 6.100 2.932 ( 9.026 0.536 2.179) 9.300 3.406 ( 3.736 -3.341 4.938) 7.036 3.430 ( -1.769 1.348 2.502) 3.348 3.503 ( -4.708 6.374 -0.135) 7.926 3.614 ( 3.208 6.793 -0.314) 7.519 3.968 ( -7.968 0.163 0.247) 7.974 4.093 ( 1.136 -0.668 2.293) 2.645 4.162 ( 5.397 -0.156 7.582) 9.308 4.325 ( 0.493 4.615 0.088) 4.642 4.339 ( -3.688 4.051 -5.702) 7.907 4.443 ( -2.399 1.060 -7.944) 8.366 4.669 ( -3.401 -1.415 -6.517) 7.486 4.701 ( 3.265 -2.069 -5.145) 6.435 8.560 ( -6.135 5.325 9.406) 12.429 8.963 ( -2.562 5.413 -11.841) 13.269 9.682 ( -0.389 1.767 2.047) 2.732 9.822 ( 8.684 0.242 -0.431) 8.698 10.319 ( 7.973 -8.738 20.538) 23.701 10.808 ( 0.270 -7.224 -12.776) 14.679 12.614 ( -0.640 3.280 6.288) 7.121 12.801 ( -2.601 0.666 -5.788) 6.380 14.044 ( 6.297 5.159 6.473) 10.400 14.188 ( -7.507 2.836 -9.660) 12.559 15.894 ( -8.227 -0.820 0.592) 8.289 16.090 ( 6.162 -3.327 -3.487) 7.823 ======================= Grid point 204 (108/148) ======================= q-point: (-0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -6.539 4.706 1.388) 8.175 0.806 ( -5.126 1.096 1.055) 5.347 0.997 ( 5.994 0.447 0.299) 6.018 1.087 ( 1.325 7.743 3.906) 8.773 1.173 ( -2.479 0.087 5.911) 6.410 1.336 ( -7.609 1.261 -1.024) 7.781 1.444 ( -7.320 0.413 -2.990) 7.917 1.533 ( -0.286 0.849 0.448) 1.002 1.779 ( -10.026 4.795 1.491) 11.214 1.816 ( 6.024 3.526 -5.332) 8.783 1.834 ( 3.854 -1.885 3.717) 5.677 2.029 ( -5.990 -2.473 -1.767) 6.717 2.067 ( 2.274 -1.434 1.257) 2.967 2.282 ( -0.400 -0.006 -3.261) 3.286 2.472 ( 2.545 3.484 3.636) 5.643 2.524 ( 2.058 3.582 3.758) 5.585 2.748 ( -2.008 -2.657 -2.932) 4.437 3.104 ( 7.979 2.324 2.504) 8.680 3.358 ( -6.384 10.254 -0.570) 12.093 3.415 ( 0.020 -2.108 -0.833) 2.267 3.550 ( 5.395 -2.672 2.902) 6.683 3.684 ( 2.268 6.139 2.820) 7.127 3.871 ( -4.793 1.176 6.052) 7.809 4.084 ( -7.019 -0.742 -3.966) 8.095 4.141 ( -0.673 -1.487 -2.873) 3.304 4.316 ( -0.060 0.772 3.923) 3.999 4.387 ( 3.239 3.472 1.337) 4.933 4.446 ( 4.675 5.473 -1.052) 7.274 4.629 ( 4.638 0.574 1.085) 4.797 4.753 ( 4.605 -0.739 -0.194) 4.668 8.455 ( -13.226 4.889 9.412) 16.953 8.797 ( -5.298 4.792 -10.907) 13.038 9.785 ( 8.803 2.468 3.040) 9.635 10.009 ( 11.349 0.086 0.279) 11.353 10.605 ( 8.859 -13.149 8.348) 17.918 10.818 ( 11.625 -4.535 -5.936) 13.818 12.615 ( -4.450 3.490 5.464) 7.864 12.675 ( -6.012 1.138 -6.210) 8.718 14.021 ( -4.213 3.977 -5.707) 8.132 14.229 ( 7.454 3.540 8.136) 11.588 15.721 ( -11.152 0.609 0.277) 11.172 16.103 ( -0.982 -3.788 -5.468) 6.724 ======================= Grid point 205 (109/148) ======================= q-point: (-0.22 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -6.166 5.491 2.868) 8.741 0.738 ( -6.826 1.961 4.853) 8.602 1.070 ( 0.018 1.161 0.113) 1.167 1.107 ( -6.120 -0.638 -1.719) 6.389 1.150 ( 2.776 3.046 3.766) 5.584 1.190 ( -6.733 7.820 -3.214) 10.809 1.366 ( -0.518 1.362 3.700) 3.977 1.507 ( -4.429 4.653 2.429) 6.868 1.653 ( -5.785 6.626 5.889) 10.586 1.836 ( 3.348 1.579 -5.789) 6.871 1.928 ( -1.922 -3.872 5.740) 7.185 2.007 ( 5.001 -2.802 2.568) 6.282 2.082 ( 0.341 -4.299 -3.488) 5.547 2.280 ( 2.593 3.320 -0.756) 4.280 2.465 ( -3.718 -0.284 -0.108) 3.730 2.575 ( -2.105 0.747 3.020) 3.756 2.705 ( 0.107 -4.151 -4.696) 6.269 3.207 ( -2.246 11.525 2.374) 11.980 3.312 ( 5.887 0.172 0.604) 5.921 3.433 ( 0.864 5.754 0.517) 5.842 3.638 ( 2.675 0.998 -0.772) 2.958 3.725 ( -0.445 5.959 3.821) 7.093 3.891 ( -3.783 -0.363 5.121) 6.377 3.912 ( -0.620 -0.830 -0.019) 1.037 4.142 ( 0.309 0.859 0.428) 1.009 4.335 ( -1.299 -0.927 5.185) 5.425 4.478 ( 3.170 2.559 2.077) 4.573 4.503 ( 5.318 4.381 1.159) 6.987 4.781 ( 5.415 -2.512 2.698) 6.551 4.908 ( 12.835 3.518 5.012) 14.221 8.279 ( -13.732 4.453 8.919) 16.969 8.631 ( -4.083 3.595 -10.138) 11.505 9.995 ( 10.946 3.142 4.031) 12.080 10.195 ( 8.618 -0.047 1.163) 8.697 10.774 ( 13.953 -8.440 -8.388) 18.338 11.071 ( 12.105 -9.890 5.237) 16.485 12.494 ( -7.270 0.384 -6.098) 9.497 12.558 ( -7.467 4.268 3.771) 9.391 13.961 ( 0.407 4.032 -1.209) 4.229 14.391 ( 2.931 0.984 7.116) 7.759 15.545 ( -8.100 2.995 1.264) 8.728 15.983 ( -7.051 -2.474 -4.891) 8.931 ======================= Grid point 206 (110/148) ======================= q-point: (-0.11 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -4.713 4.476 6.806) 9.411 0.661 ( -4.209 3.792 4.621) 7.311 0.932 ( -7.170 2.151 -3.132) 8.114 0.994 ( -7.905 9.062 -2.685) 12.322 1.146 ( 1.490 0.247 0.012) 1.511 1.234 ( 4.171 2.274 0.777) 4.814 1.418 ( 0.376 -0.864 4.637) 4.731 1.482 ( 0.077 8.107 5.043) 9.547 1.631 ( -2.920 4.674 7.258) 9.113 1.850 ( 2.133 0.198 -3.615) 4.202 1.924 ( -3.496 -2.009 6.897) 7.990 2.045 ( 0.220 -4.037 -3.530) 5.367 2.156 ( 6.150 -2.101 5.500) 8.514 2.312 ( -0.142 0.115 -2.671) 2.678 2.396 ( -1.625 -1.163 -0.784) 2.147 2.495 ( -5.785 3.429 -1.535) 6.898 2.679 ( 1.146 -3.325 -3.753) 5.143 3.133 ( -5.283 8.106 -1.882) 9.857 3.394 ( -3.264 9.427 -3.014) 10.421 3.471 ( 5.376 9.332 5.597) 12.137 3.618 ( -1.714 3.668 -4.096) 5.759 3.725 ( -3.008 5.255 3.358) 6.924 3.894 ( 6.628 -5.885 0.831) 8.902 4.032 ( 2.410 1.950 11.199) 11.620 4.190 ( 3.228 -0.720 4.073) 5.246 4.352 ( -1.047 -1.424 5.287) 5.574 4.518 ( 2.568 2.736 -0.844) 3.846 4.642 ( 4.230 3.459 7.067) 8.933 4.877 ( 4.184 -1.720 2.781) 5.310 5.176 ( 13.081 1.246 -1.029) 13.181 8.137 ( -9.476 3.930 8.479) 13.309 8.507 ( -1.074 2.125 -9.893) 10.175 10.198 ( 7.696 3.764 4.268) 9.572 10.318 ( 4.219 0.273 1.390) 4.450 10.986 ( 13.085 -8.556 -4.216) 16.193 11.210 ( 1.974 -6.435 -1.578) 6.914 12.361 ( -1.109 -1.086 -5.682) 5.891 12.418 ( -11.562 3.405 3.321) 12.502 14.017 ( 5.433 3.118 2.302) 6.674 14.406 ( -5.675 -0.729 3.377) 6.644 15.490 ( -0.224 4.633 3.374) 5.736 15.838 ( -4.745 -0.962 -2.497) 5.448 ======================= Grid point 207 (111/148) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 0.548 2.328 3.365) 4.128 0.754 ( 2.291 0.671 0.947) 2.568 0.909 ( -1.910 5.152 0.945) 5.575 1.024 ( -2.646 5.524 -3.611) 7.110 1.179 ( 0.831 0.396 2.668) 2.822 1.320 ( 1.546 0.604 -1.345) 2.136 1.438 ( -0.572 2.463 5.207) 5.789 1.647 ( 2.126 -0.088 -0.797) 2.272 1.712 ( -0.109 2.699 0.193) 2.708 1.831 ( -1.421 -0.236 -3.187) 3.498 1.939 ( -0.489 1.967 9.830) 10.036 2.035 ( 2.442 0.327 2.310) 3.378 2.156 ( -2.074 -5.321 0.954) 5.790 2.235 ( 2.075 -1.361 -1.758) 3.041 2.303 ( -0.603 -4.372 -2.144) 4.906 2.422 ( -1.896 -3.583 -5.076) 6.496 2.856 ( 4.957 11.523 8.110) 14.937 3.182 ( -6.902 10.172 -6.557) 13.932 3.524 ( -2.261 1.995 2.222) 3.745 3.590 ( -0.735 -1.228 -0.211) 1.446 3.820 ( -0.081 9.337 1.475) 9.454 3.866 ( 2.019 13.748 1.454) 13.971 3.916 ( -1.780 -1.219 4.672) 5.146 4.092 ( 2.436 -1.075 -1.486) 3.049 4.272 ( 4.382 -1.080 3.913) 5.973 4.349 ( -0.936 -2.374 2.192) 3.364 4.686 ( 5.951 5.399 5.286) 9.618 4.814 ( -1.574 6.974 1.853) 7.385 4.976 ( 4.357 0.101 7.426) 8.610 5.285 ( 3.054 -1.735 -5.447) 6.481 8.190 ( -3.319 6.099 7.020) 9.874 8.464 ( 1.020 -0.335 -5.588) 5.690 10.359 ( -0.480 0.587 2.150) 2.280 10.410 ( 2.661 2.419 -0.317) 3.610 10.818 ( -15.170 1.537 9.809) 18.130 11.292 ( 15.059 -3.903 -12.459) 19.930 12.220 ( -12.253 -1.387 3.414) 12.795 12.326 ( 5.868 -3.785 -1.930) 7.245 14.230 ( 7.670 2.729 3.661) 8.926 14.303 ( -5.056 1.104 0.351) 5.187 15.621 ( 1.539 2.940 2.184) 3.973 15.765 ( 0.960 -1.453 -3.930) 4.299 ======================= Grid point 208 (112/148) ======================= q-point: ( 0.11 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 4.026 1.293 -0.930) 4.329 0.871 ( 6.993 1.228 5.114) 8.750 0.929 ( 4.406 3.819 -1.691) 6.071 0.993 ( 0.693 4.821 0.778) 4.932 1.166 ( -4.108 2.205 0.632) 4.705 1.310 ( 0.350 1.264 -2.292) 2.641 1.480 ( 0.669 1.316 4.850) 5.070 1.680 ( 2.757 0.420 -5.781) 6.418 1.714 ( -1.082 1.763 2.509) 3.252 1.778 ( -1.481 -1.795 -1.654) 2.855 1.997 ( -0.958 3.177 7.264) 7.986 2.118 ( -0.535 -4.542 -1.625) 4.853 2.129 ( 3.962 0.252 3.432) 5.247 2.242 ( 1.768 -2.020 -2.183) 3.460 2.296 ( -0.264 -3.353 -1.178) 3.563 2.376 ( 0.680 -5.041 -2.191) 5.538 2.926 ( -4.812 11.374 0.394) 12.357 3.126 ( 6.735 11.268 2.582) 13.379 3.466 ( -6.361 -0.181 1.953) 6.656 3.547 ( -3.322 2.640 0.900) 4.338 3.780 ( -7.399 5.634 1.555) 9.429 3.852 ( -3.276 2.967 0.159) 4.423 3.919 ( 1.615 16.062 2.079) 16.276 4.196 ( 8.112 -4.552 -1.227) 9.383 4.306 ( -2.825 -2.790 -2.178) 4.529 4.362 ( 2.186 -1.090 2.587) 3.558 4.757 ( -3.863 5.784 -3.055) 7.597 4.822 ( 4.319 4.710 3.656) 7.362 5.068 ( 0.106 0.457 4.688) 4.712 5.218 ( -3.850 -1.024 -9.150) 9.979 8.242 ( 2.882 5.683 6.891) 9.386 8.503 ( 7.603 -0.637 -3.732) 8.494 10.311 ( -6.300 1.335 1.158) 6.543 10.389 ( -4.256 2.396 -1.432) 5.090 10.523 ( -23.870 6.329 9.500) 26.459 11.333 ( -1.794 -10.527 -10.634) 15.070 12.147 ( 1.716 2.870 5.107) 6.104 12.480 ( 10.773 -4.593 -0.195) 11.713 14.212 ( -4.307 5.676 -1.893) 7.372 14.414 ( 9.618 -0.621 2.122) 9.869 15.678 ( 2.865 0.285 0.882) 3.012 15.767 ( 3.236 -0.987 -4.002) 5.240 ======================= Grid point 209 (113/148) ======================= q-point: ( 0.22 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 4.345 4.840 -0.352) 6.513 0.998 ( 4.736 3.430 -2.588) 6.395 1.021 ( -0.969 2.590 5.167) 5.861 1.081 ( 8.880 -0.782 1.555) 9.049 1.094 ( 0.865 1.493 -0.472) 1.789 1.314 ( 2.272 0.474 -1.531) 2.780 1.536 ( 1.920 0.351 3.778) 4.252 1.642 ( -1.210 1.576 -6.656) 6.946 1.665 ( -4.621 1.580 0.463) 4.906 1.785 ( 0.532 -0.172 1.064) 1.202 1.991 ( -2.458 2.008 1.058) 3.346 2.091 ( -1.140 -2.835 -1.446) 3.380 2.206 ( 1.129 -1.326 -3.168) 3.615 2.243 ( -0.623 -2.126 1.028) 2.442 2.335 ( 5.854 -2.357 3.143) 7.050 2.427 ( 4.888 -4.177 1.782) 6.672 2.835 ( -2.285 10.956 -3.140) 11.624 3.269 ( 0.003 8.147 2.388) 8.489 3.408 ( 0.746 -2.279 5.337) 5.851 3.493 ( -3.759 6.412 2.685) 7.903 3.597 ( -11.568 -0.981 1.046) 11.657 3.840 ( 0.130 8.917 -0.578) 8.936 3.927 ( -2.943 15.169 1.656) 15.540 4.224 ( -1.971 0.003 -2.008) 2.813 4.325 ( 6.291 -4.252 -4.359) 8.755 4.387 ( -0.267 -2.326 0.518) 2.398 4.650 ( -3.434 4.672 -6.060) 8.387 4.872 ( 0.134 2.336 -1.558) 2.811 5.006 ( -7.799 0.345 -9.287) 12.132 5.063 ( -5.350 0.401 -2.213) 5.804 8.380 ( 6.380 6.195 6.748) 11.163 8.666 ( 12.916 -0.287 -1.840) 13.050 10.152 ( -14.381 4.141 4.530) 15.636 10.208 ( -16.093 2.440 4.254) 16.824 10.249 ( -10.540 4.778 -0.521) 11.584 11.130 ( -10.327 -15.006 -8.631) 20.158 12.298 ( 8.632 4.798 5.033) 11.084 12.660 ( 9.153 -3.697 -0.133) 9.873 14.130 ( -2.990 8.986 -2.176) 9.717 14.559 ( 5.694 -3.464 -1.956) 6.946 15.716 ( 3.895 0.604 -3.807) 5.480 15.837 ( 5.167 -1.853 0.848) 5.554 ======================= Grid point 210 (114/148) ======================= q-point: ( 0.33 0.29 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -0.413 4.371 1.658) 4.693 0.929 ( -0.582 3.164 -2.735) 4.223 1.087 ( -0.543 4.076 1.028) 4.238 1.157 ( 6.322 -1.649 0.118) 6.535 1.215 ( 4.014 1.276 0.459) 4.237 1.417 ( 8.979 -0.394 -0.013) 8.988 1.547 ( -3.893 1.455 -5.187) 6.646 1.581 ( -3.483 -0.412 1.551) 3.834 1.606 ( 0.382 3.914 3.917) 5.550 1.789 ( 0.774 -1.276 -1.344) 2.008 1.960 ( -1.417 -2.057 -2.188) 3.321 2.035 ( -2.325 1.700 0.757) 2.978 2.202 ( 2.095 -1.708 -4.232) 5.021 2.235 ( -1.586 -0.502 2.052) 2.641 2.474 ( 5.367 -0.439 3.994) 6.704 2.548 ( 6.035 -2.221 2.461) 6.886 2.799 ( 0.453 7.407 -3.399) 8.162 3.199 ( -6.847 -0.569 -0.912) 6.931 3.299 ( -9.078 3.619 -0.677) 9.797 3.475 ( -5.335 -2.210 3.635) 6.824 3.638 ( 8.466 6.469 9.510) 14.281 3.816 ( -1.836 9.834 -2.363) 10.280 3.863 ( -3.726 8.867 1.564) 9.745 4.200 ( -0.331 4.093 -0.291) 4.117 4.294 ( -3.269 2.977 -6.260) 7.664 4.425 ( 4.209 -7.538 -3.070) 9.163 4.569 ( -1.000 3.748 -5.051) 6.369 4.752 ( -10.434 3.656 -10.493) 15.243 4.808 ( -3.540 -1.518 -6.885) 7.889 4.932 ( -6.953 -0.136 -4.363) 8.210 8.548 ( 5.934 7.760 7.562) 12.354 8.903 ( 14.560 0.651 -1.643) 14.667 9.951 ( -11.315 2.117 3.841) 12.135 9.984 ( -12.581 1.758 1.195) 12.760 10.052 ( -11.239 4.540 3.763) 12.692 10.888 ( -8.638 -16.054 -9.470) 20.543 12.481 ( 7.138 4.847 5.379) 10.168 12.787 ( 5.661 -2.541 -0.930) 6.274 14.082 ( -0.935 10.091 -0.924) 10.177 14.560 ( -1.738 -3.238 -6.612) 7.565 15.791 ( 7.209 0.369 -2.241) 7.558 15.924 ( 3.107 -2.657 1.112) 4.237 ======================= Grid point 211 (115/148) ======================= q-point: (-0.56 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -2.466 0.077 -0.018) 2.467 0.931 ( -2.609 -0.355 -2.125) 3.383 1.080 ( 1.715 5.917 0.333) 6.170 1.252 ( -0.725 6.606 -1.967) 6.931 1.256 ( 2.139 1.948 4.370) 5.241 1.439 ( -2.778 -0.748 -1.091) 3.077 1.522 ( -0.681 1.968 6.199) 6.539 1.548 ( 0.386 -2.232 -3.141) 3.872 1.647 ( 1.794 -1.092 -3.711) 4.264 1.768 ( -0.928 -0.741 -1.944) 2.278 1.979 ( 5.015 -2.733 1.195) 5.836 2.046 ( 1.350 4.929 2.849) 5.851 2.190 ( -2.731 -0.612 1.050) 2.989 2.232 ( 1.643 0.034 -3.000) 3.421 2.560 ( 1.409 2.724 1.769) 3.540 2.619 ( -0.105 0.872 -0.925) 1.275 2.811 ( 4.460 3.136 -1.120) 5.566 2.993 ( -11.511 -0.135 -2.295) 11.738 3.259 ( 0.889 -0.178 3.470) 3.587 3.418 ( -3.889 -3.358 2.298) 5.628 3.740 ( 0.316 12.207 -1.088) 12.260 3.815 ( -2.422 6.300 0.102) 6.751 3.898 ( 7.143 2.129 9.253) 11.882 4.164 ( -4.431 4.521 -1.693) 6.553 4.187 ( -2.528 2.745 -5.169) 6.376 4.442 ( -0.207 -7.245 -5.766) 9.262 4.503 ( -3.767 5.415 -4.625) 8.056 4.549 ( -2.348 5.864 -3.892) 7.419 4.682 ( -2.337 -2.189 -8.596) 9.173 4.773 ( -6.160 -1.231 -5.961) 8.660 8.684 ( 1.470 9.363 9.400) 13.349 9.103 ( 8.665 2.927 -4.163) 10.048 9.790 ( -6.684 1.284 -0.491) 6.824 9.802 ( -7.442 1.340 0.031) 7.561 10.002 ( -1.385 -0.718 11.721) 11.824 10.696 ( -3.624 -15.011 -11.665) 19.353 12.620 ( 3.645 4.442 5.580) 8.010 12.840 ( 1.622 -1.244 -2.035) 2.884 14.091 ( 1.981 9.100 1.261) 9.398 14.426 ( -5.879 -0.139 -8.465) 10.307 15.909 ( 6.160 -1.972 -0.807) 6.518 15.950 ( -0.348 -2.314 0.126) 2.344 ======================= Grid point 212 (116/148) ======================= q-point: (-0.44 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -0.610 -1.675 1.236) 2.169 0.859 ( -0.189 -2.705 -0.981) 2.884 1.070 ( -6.597 6.423 2.309) 9.493 1.216 ( 1.327 7.695 -1.861) 8.027 1.269 ( -5.453 3.156 5.724) 8.512 1.424 ( 0.918 1.996 0.191) 2.205 1.501 ( -3.706 -4.046 -1.657) 5.732 1.551 ( -4.100 -1.319 -1.706) 4.633 1.613 ( 4.165 -3.585 3.720) 6.636 1.811 ( 6.485 -0.114 -5.816) 8.712 2.020 ( -2.934 4.328 4.541) 6.925 2.105 ( -3.428 4.841 -1.936) 6.240 2.134 ( -0.457 -0.944 0.437) 1.136 2.229 ( 1.575 -1.751 -1.631) 2.865 2.547 ( -2.888 3.758 0.096) 4.741 2.599 ( 0.829 4.506 -0.452) 4.604 2.817 ( -7.272 0.198 -0.339) 7.282 2.931 ( 7.965 -0.894 1.649) 8.183 3.332 ( 2.653 -2.913 4.023) 5.631 3.389 ( 0.776 -3.057 0.086) 3.155 3.721 ( -3.944 10.957 0.535) 11.657 3.797 ( 2.245 8.256 -0.428) 8.567 3.998 ( -5.604 3.438 0.671) 6.609 4.082 ( -0.240 0.088 3.564) 3.573 4.160 ( 1.003 0.095 0.580) 1.162 4.312 ( -5.279 -4.095 -7.138) 9.777 4.451 ( 0.101 7.087 0.788) 7.132 4.554 ( 2.601 6.233 -3.431) 7.575 4.633 ( 0.653 -1.754 -4.039) 4.452 4.658 ( 0.670 -1.714 -4.342) 4.716 8.716 ( -7.118 9.623 10.402) 15.858 9.088 ( -4.558 5.238 -7.174) 9.984 9.729 ( 1.145 2.594 1.444) 3.182 9.819 ( 7.410 -0.844 0.990) 7.524 10.140 ( 5.876 -6.503 11.661) 14.588 10.600 ( 4.127 -12.452 -13.105) 18.542 12.689 ( -0.508 3.671 5.199) 6.385 12.810 ( -2.753 0.062 -3.234) 4.248 14.171 ( 4.794 6.442 3.643) 8.817 14.257 ( -5.709 3.432 -7.182) 9.795 15.876 ( -6.180 -0.677 0.238) 6.221 16.005 ( 3.683 -4.529 -2.102) 6.205 ======================= Grid point 213 (117/148) ======================= q-point: (-0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -1.047 0.122 2.146) 2.391 0.904 ( -3.698 2.335 2.180) 4.887 0.987 ( 1.469 0.280 3.747) 4.035 1.177 ( -7.827 1.793 2.248) 8.339 1.202 ( -3.858 1.016 0.651) 4.043 1.388 ( -4.677 -2.922 0.319) 5.524 1.435 ( -1.244 6.522 -2.288) 7.023 1.551 ( 3.586 0.325 1.983) 4.111 1.721 ( 3.219 -5.343 2.698) 6.796 1.863 ( 3.638 0.709 -3.721) 5.252 1.950 ( -4.919 -0.646 -1.851) 5.296 1.990 ( -5.675 6.803 0.190) 8.861 2.089 ( -3.564 2.812 0.115) 4.541 2.272 ( 2.055 -1.647 -0.679) 2.720 2.529 ( -0.726 2.600 3.114) 4.122 2.609 ( -0.971 3.649 1.358) 4.012 2.703 ( -5.010 -0.340 -1.798) 5.334 3.109 ( 9.891 -2.568 2.908) 10.625 3.371 ( 2.477 -0.365 -1.200) 2.776 3.478 ( 5.168 -2.695 3.210) 6.654 3.648 ( -3.187 12.010 1.208) 12.484 3.848 ( 1.695 8.762 2.225) 9.197 3.929 ( -2.701 4.707 5.869) 7.994 4.031 ( -9.943 -3.050 -4.636) 11.387 4.120 ( 1.615 -0.902 0.644) 1.959 4.289 ( 0.140 -2.875 2.283) 3.674 4.492 ( 2.324 5.606 2.358) 6.511 4.562 ( 2.875 5.076 -4.213) 7.196 4.644 ( 4.268 0.643 0.106) 4.318 4.756 ( 8.701 1.309 2.338) 9.104 8.599 ( -13.942 8.861 9.346) 18.980 8.905 ( -8.479 4.552 -7.200) 12.019 9.852 ( 10.019 3.733 2.542) 10.990 10.000 ( 10.495 -1.211 1.895) 10.733 10.354 ( 9.734 -9.211 6.872) 15.061 10.660 ( 12.956 -9.984 -9.894) 19.116 12.673 ( -5.846 1.924 1.506) 6.336 12.706 ( -5.253 1.472 -1.569) 5.676 14.128 ( -3.636 5.987 -3.963) 8.048 14.300 ( 5.054 2.596 4.993) 7.564 15.745 ( -8.137 1.889 0.062) 8.354 16.005 ( -1.505 -5.442 -3.119) 6.451 ======================= Grid point 214 (118/148) ======================= q-point: (-0.22 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -5.656 3.656 5.208) 8.513 0.816 ( -5.311 5.355 1.798) 7.753 1.072 ( -1.847 -2.479 0.155) 3.096 1.086 ( -1.474 0.531 0.252) 1.586 1.141 ( 0.053 -2.314 4.614) 5.162 1.290 ( -5.879 -1.918 -2.183) 6.558 1.413 ( -0.517 6.534 1.042) 6.637 1.638 ( 2.433 4.742 1.793) 5.623 1.724 ( -1.022 -2.180 -1.050) 2.626 1.848 ( -2.960 -1.921 1.760) 3.943 1.917 ( -2.043 5.896 -0.988) 6.317 1.970 ( 4.091 0.221 3.087) 5.130 2.040 ( -0.716 -0.564 -0.605) 1.095 2.292 ( 0.278 -2.752 0.466) 2.805 2.457 ( -7.242 0.077 -0.763) 7.282 2.605 ( -2.860 -4.480 -4.897) 7.227 2.652 ( 1.398 7.328 5.220) 9.105 3.303 ( 8.489 -2.387 2.724) 9.230 3.403 ( 1.506 5.221 -0.399) 5.449 3.563 ( 4.174 3.325 1.440) 5.527 3.697 ( 4.164 6.206 4.973) 8.977 3.820 ( -8.440 -2.121 -4.906) 9.990 3.891 ( 0.575 9.975 3.839) 10.704 3.984 ( 1.237 5.026 9.738) 11.028 4.146 ( 0.672 -0.673 0.156) 0.964 4.296 ( -1.169 -2.922 3.061) 4.390 4.535 ( 1.919 2.248 -0.271) 2.968 4.634 ( 5.410 7.539 3.536) 9.930 4.742 ( 4.549 -0.430 2.773) 5.345 4.972 ( 12.250 1.991 3.388) 12.865 8.410 ( -14.131 7.955 7.926) 18.050 8.706 ( -7.708 2.700 -6.790) 10.621 10.076 ( 11.926 4.147 2.933) 12.963 10.186 ( 8.459 -0.849 2.214) 8.785 10.587 ( 13.407 -7.223 1.386) 15.291 10.873 ( 16.087 -9.315 -4.928) 19.231 12.509 ( -9.226 1.100 -4.105) 10.158 12.611 ( -7.845 0.583 2.015) 8.121 14.074 ( -0.637 6.617 -0.248) 6.652 14.391 ( 0.345 -1.308 4.650) 4.842 15.626 ( -4.685 4.595 0.383) 6.573 15.915 ( -5.264 -4.002 -3.025) 7.271 ======================= Grid point 215 (119/148) ======================= q-point: (-0.11 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -5.560 3.746 4.276) 7.952 0.751 ( -2.580 4.145 1.950) 5.258 0.987 ( -6.469 2.330 -0.078) 6.876 1.090 ( 0.218 1.307 0.883) 1.592 1.151 ( -1.433 -1.215 -3.069) 3.598 1.262 ( 3.468 0.104 2.430) 4.236 1.421 ( -0.937 2.963 3.710) 4.840 1.638 ( -0.318 3.013 -0.834) 3.143 1.721 ( -0.571 3.216 -0.282) 3.278 1.860 ( -1.710 1.818 9.320) 9.648 1.879 ( 0.535 -0.466 -2.843) 2.930 2.007 ( 0.369 -0.326 -0.028) 0.493 2.113 ( 4.400 -2.088 4.240) 6.457 2.263 ( -3.289 -3.742 -1.627) 5.241 2.348 ( -3.088 -2.797 -1.358) 4.382 2.508 ( -3.005 -4.248 -5.792) 7.786 2.731 ( 3.125 10.294 5.402) 12.038 3.329 ( -4.020 9.109 -2.636) 10.300 3.499 ( 5.003 -4.843 2.682) 7.462 3.604 ( -2.503 8.304 -2.401) 8.999 3.729 ( 5.177 -4.323 3.482) 7.590 3.816 ( 3.109 8.059 1.643) 8.793 3.913 ( -1.761 11.474 3.771) 12.205 4.078 ( 0.420 2.253 6.221) 6.630 4.174 ( 3.011 -1.070 1.725) 3.631 4.314 ( 0.237 -2.034 4.949) 5.356 4.578 ( 3.206 3.079 1.157) 4.593 4.769 ( 3.444 8.929 6.966) 11.836 4.840 ( 4.422 -1.694 4.284) 6.385 5.190 ( 9.944 -0.458 -0.297) 9.959 8.252 ( -9.804 6.991 7.188) 14.024 8.544 ( -4.499 0.832 -6.496) 7.945 10.280 ( 7.915 2.942 2.473) 8.799 10.323 ( 5.518 0.359 1.616) 5.761 10.819 ( 7.729 -4.632 5.169) 10.388 11.099 ( 14.882 -5.139 -8.172) 17.739 12.336 ( -5.378 -0.926 -3.541) 6.505 12.444 ( -12.384 -1.034 1.142) 12.480 14.106 ( 3.354 5.305 2.650) 6.813 14.379 ( -4.579 -2.086 3.117) 5.919 15.595 ( 0.149 5.037 0.633) 5.079 15.808 ( -3.696 -1.968 -2.123) 4.694 ======================= Grid point 216 (120/148) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.474 1.179 -0.434) 1.342 0.753 ( 0.230 -0.393 -1.728) 1.787 1.002 ( -0.604 3.946 3.689) 5.436 1.069 ( -0.782 -1.795 0.668) 2.068 1.211 ( 0.993 3.924 2.435) 4.724 1.293 ( 0.789 -3.087 0.437) 3.216 1.516 ( 0.671 4.364 2.398) 5.024 1.601 ( 1.815 -3.688 -0.066) 4.111 1.764 ( -0.361 2.566 -2.681) 3.728 1.812 ( -1.649 -1.803 -3.502) 4.270 2.000 ( 1.167 2.365 5.450) 6.055 2.042 ( 0.758 -1.397 2.685) 3.120 2.090 ( -0.857 1.942 1.893) 2.844 2.184 ( 1.196 -4.931 1.781) 5.377 2.256 ( -0.733 1.621 -4.897) 5.210 2.327 ( -1.701 -4.719 -4.617) 6.818 3.124 ( 3.281 13.363 7.576) 15.708 3.326 ( -3.846 -0.864 -0.155) 3.945 3.464 ( -0.144 -1.592 2.345) 2.838 3.537 ( -2.679 -4.084 -0.002) 4.884 3.863 ( 1.327 2.688 1.678) 3.436 3.941 ( -0.956 -3.312 -1.911) 3.941 4.099 ( 1.416 8.208 1.931) 8.550 4.152 ( 1.330 4.361 -0.800) 4.629 4.242 ( 4.185 -1.335 3.094) 5.373 4.286 ( -1.257 -3.705 1.094) 4.062 4.813 ( 5.303 6.366 6.671) 10.637 4.906 ( 2.767 -1.518 3.896) 5.014 5.047 ( 0.472 8.538 4.986) 9.898 5.209 ( 1.058 -5.974 -0.928) 6.138 8.321 ( -3.215 6.212 4.588) 8.365 8.425 ( -1.835 -3.587 0.072) 4.029 10.370 ( 0.481 1.028 0.848) 1.417 10.404 ( 1.766 -1.878 -0.699) 2.671 10.967 ( -3.716 10.622 2.685) 11.569 11.171 ( 7.084 -8.192 -6.776) 12.775 12.200 ( -6.226 0.435 1.990) 6.550 12.247 ( 0.559 -3.636 -0.495) 3.712 14.283 ( 3.972 2.196 2.746) 5.305 14.311 ( -0.360 -0.453 1.519) 1.625 15.679 ( 0.329 2.632 -0.278) 2.667 15.728 ( 0.452 -2.144 -2.277) 3.160 ======================= Grid point 217 (121/148) ======================= q-point: ( 0.11 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 5.896 2.094 -0.971) 6.331 0.833 ( 8.183 -2.708 0.399) 8.628 1.030 ( 0.668 3.813 2.888) 4.829 1.061 ( -0.193 1.275 0.062) 1.291 1.206 ( -3.225 2.179 0.998) 4.018 1.269 ( -1.668 -3.593 -1.245) 4.152 1.557 ( 1.584 4.882 1.951) 5.491 1.650 ( 2.604 -3.588 -1.818) 4.792 1.745 ( 0.077 1.101 -0.051) 1.104 1.761 ( -1.041 -0.032 -2.538) 2.744 2.050 ( -0.841 -0.493 1.204) 1.549 2.059 ( 1.124 -0.056 3.465) 3.643 2.139 ( 2.124 2.773 4.214) 5.474 2.215 ( 0.184 -0.007 -2.668) 2.674 2.236 ( 4.370 -3.179 -0.567) 5.434 2.262 ( -1.835 -4.853 -3.853) 6.463 3.158 ( -5.090 10.631 1.809) 11.925 3.304 ( 1.293 1.053 3.507) 3.884 3.427 ( -4.083 1.029 1.110) 4.354 3.522 ( -1.589 -4.110 2.671) 5.153 3.831 ( -5.335 3.487 -0.385) 6.385 3.918 ( 0.394 -2.465 -0.689) 2.590 4.143 ( 3.147 3.829 -0.203) 4.961 4.202 ( 4.036 5.960 -0.469) 7.213 4.238 ( -3.611 -1.953 -1.412) 4.341 4.324 ( 2.914 -3.181 1.181) 4.472 4.899 ( -2.970 5.881 -2.549) 7.064 4.918 ( 1.352 3.572 1.831) 4.236 5.084 ( -1.446 1.824 4.897) 5.422 5.164 ( -3.934 -4.320 -3.294) 6.708 8.363 ( 3.428 5.756 5.517) 8.679 8.462 ( 5.061 -3.532 1.964) 6.477 10.334 ( -4.994 1.353 0.124) 5.176 10.370 ( -5.051 -1.927 -0.855) 5.473 10.775 ( -16.935 14.852 0.966) 22.546 11.078 ( -10.304 -14.044 -6.762) 18.685 12.233 ( 6.918 5.565 3.180) 9.431 12.363 ( 9.894 -6.518 1.447) 11.936 14.319 ( 0.761 4.427 -1.060) 4.616 14.387 ( 5.607 -2.195 0.527) 6.045 15.699 ( 2.055 1.572 -0.221) 2.596 15.736 ( 2.471 -1.881 -1.866) 3.623 ======================= Grid point 218 (122/148) ======================= q-point: ( 0.22 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 7.976 4.717 0.238) 9.270 1.012 ( 10.377 -4.661 0.826) 11.406 1.051 ( -1.409 1.653 -1.799) 2.820 1.064 ( 1.329 0.693 -0.350) 1.539 1.154 ( -0.998 4.238 2.111) 4.839 1.253 ( 0.867 -4.922 1.109) 5.120 1.586 ( 0.715 2.728 -0.440) 2.854 1.627 ( -1.274 -1.389 -4.466) 4.847 1.722 ( -1.114 3.152 -1.163) 3.539 1.783 ( 1.285 -1.510 0.415) 2.026 2.031 ( -1.514 3.155 0.194) 3.505 2.097 ( -2.157 3.023 1.010) 3.848 2.130 ( 0.424 -5.034 1.264) 5.208 2.177 ( -2.805 -4.392 -2.780) 5.906 2.318 ( 7.909 0.858 2.691) 8.398 2.355 ( 7.195 -2.697 2.583) 8.106 3.063 ( -4.765 10.922 -1.519) 12.013 3.264 ( -6.644 -7.977 0.160) 10.383 3.422 ( -1.594 4.014 3.748) 5.718 3.492 ( -4.887 -2.928 4.285) 7.128 3.747 ( -2.060 10.766 0.194) 10.963 3.912 ( -0.364 -2.865 -1.309) 3.171 4.147 ( -4.412 3.467 -2.687) 6.221 4.204 ( 3.759 -4.202 -1.088) 5.742 4.266 ( 3.579 5.591 -0.896) 6.698 4.361 ( 1.364 -2.578 -1.585) 3.319 4.781 ( -5.244 7.307 -6.131) 10.885 4.888 ( -3.763 -1.976 -4.879) 6.471 5.025 ( -6.659 1.577 -2.693) 7.354 5.058 ( -5.740 -1.105 -0.575) 5.874 8.513 ( 7.742 6.341 6.712) 12.050 8.623 ( 10.104 -3.985 4.218) 11.652 10.199 ( -10.425 1.405 0.279) 10.522 10.217 ( -11.473 -0.308 0.436) 11.485 10.474 ( -15.361 14.447 -2.000) 21.182 10.800 ( -13.106 -16.607 -7.537) 22.458 12.417 ( 9.456 6.626 3.706) 12.127 12.555 ( 9.480 -6.302 1.968) 11.552 14.314 ( 0.262 8.448 -2.708) 8.876 14.463 ( 3.374 -5.993 -2.436) 7.296 15.743 ( 3.820 1.956 -1.312) 4.488 15.791 ( 4.225 -2.512 0.002) 4.916 ======================= Grid point 219 (123/148) ======================= q-point: ( 0.33 0.43 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -5.153 2.614 -1.968) 6.104 0.989 ( -2.441 0.008 -2.569) 3.544 1.096 ( 4.851 1.974 -0.572) 5.269 1.175 ( 7.751 -3.541 -1.382) 8.633 1.240 ( 5.453 5.520 5.418) 9.464 1.358 ( 8.039 -5.132 3.065) 10.018 1.558 ( -3.188 0.618 -2.940) 4.381 1.568 ( -2.018 -0.398 -1.261) 2.413 1.704 ( -0.215 3.822 -1.299) 4.043 1.763 ( -0.863 -1.843 -5.169) 5.555 1.977 ( -3.519 4.274 0.183) 5.540 2.076 ( -0.182 -0.636 2.075) 2.178 2.132 ( -0.380 -2.046 0.241) 2.095 2.185 ( 2.109 -3.470 2.422) 4.728 2.483 ( 7.152 1.020 3.946) 8.232 2.510 ( 7.164 -1.574 3.251) 8.023 2.971 ( -3.741 8.771 -3.247) 10.072 3.130 ( -7.529 -6.046 -2.319) 9.931 3.357 ( -7.014 2.599 2.157) 7.785 3.417 ( -6.422 -3.148 3.431) 7.933 3.790 ( 3.788 7.277 3.324) 8.852 3.888 ( -0.468 -1.446 -2.283) 2.742 4.064 ( -2.528 8.962 -1.636) 9.455 4.243 ( 1.465 -8.198 -1.357) 8.437 4.304 ( 1.628 3.641 -2.636) 4.780 4.344 ( -0.057 0.582 -5.639) 5.669 4.657 ( -3.005 4.814 -5.343) 7.795 4.742 ( -6.118 -2.862 -7.206) 9.876 4.860 ( -8.437 3.787 -4.701) 10.374 4.917 ( -8.207 -1.648 -3.661) 9.136 8.715 ( 8.017 8.086 8.363) 14.127 8.857 ( 11.266 -5.073 6.014) 13.741 9.993 ( -12.278 1.551 1.156) 12.429 10.007 ( -12.530 0.228 0.796) 12.557 10.228 ( -9.542 12.739 -4.459) 16.530 10.542 ( -8.326 -16.957 -9.527) 21.157 12.594 ( 6.946 5.858 3.927) 9.898 12.708 ( 6.229 -4.983 1.693) 8.155 14.290 ( -0.324 9.655 -2.805) 10.059 14.460 ( -0.550 -6.638 -4.593) 8.091 15.814 ( 4.930 1.891 -0.924) 5.361 15.865 ( 3.553 -2.901 0.201) 4.591 ======================= Grid point 220 (124/148) ======================= q-point: (-0.56 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -4.097 1.494 -1.828) 4.729 0.888 ( -4.962 -2.752 -3.046) 6.440 1.186 ( 4.013 4.847 0.938) 6.362 1.277 ( 4.348 -3.104 -0.723) 5.391 1.359 ( 1.692 6.173 6.251) 8.947 1.453 ( -3.918 2.555 -3.425) 5.797 1.486 ( 0.078 -4.570 4.961) 6.746 1.518 ( -2.286 -2.184 -2.185) 3.843 1.655 ( -1.733 2.684 -5.242) 6.139 1.727 ( 2.086 -3.473 -5.494) 6.826 2.001 ( 5.230 4.420 3.099) 7.516 2.101 ( 1.418 -3.669 1.759) 4.309 2.155 ( 0.339 2.973 3.287) 4.445 2.225 ( 0.240 -2.061 2.166) 2.999 2.601 ( 2.488 1.443 2.434) 3.768 2.622 ( 2.421 -0.532 1.572) 2.936 2.891 ( -1.653 4.266 -2.768) 5.347 2.966 ( -7.944 -2.616 -2.973) 8.876 3.280 ( -2.567 2.120 2.224) 4.004 3.342 ( -3.845 -3.682 1.920) 5.659 3.864 ( 1.523 1.710 0.775) 2.418 3.881 ( 0.526 0.623 1.120) 1.385 4.047 ( 1.259 10.018 -0.210) 10.099 4.215 ( -2.559 -3.562 -3.903) 5.871 4.255 ( -2.816 3.370 -5.500) 7.038 4.302 ( -0.381 -3.718 -4.959) 6.210 4.597 ( -0.829 2.695 -3.095) 4.187 4.617 ( -2.224 0.652 -3.142) 3.904 4.686 ( -5.840 2.898 -4.966) 8.195 4.744 ( -6.698 -1.944 -4.729) 8.427 8.892 ( 2.836 10.294 10.330) 14.856 9.072 ( 5.929 -6.088 6.854) 10.918 9.817 ( -7.737 0.975 -0.214) 7.802 9.822 ( -7.254 0.461 0.065) 7.269 10.095 ( -1.376 10.011 -3.704) 10.763 10.372 ( -1.610 -15.734 -11.103) 19.324 12.713 ( 3.157 4.461 3.711) 6.606 12.794 ( 2.243 -3.227 0.971) 4.048 14.269 ( 0.267 7.726 -1.736) 7.923 14.389 ( -2.688 -3.733 -5.062) 6.840 15.886 ( 3.263 -0.136 -0.471) 3.300 15.904 ( 0.879 -1.812 -0.217) 2.026 ======================= Grid point 221 (125/148) ======================= q-point: (-0.44 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -0.765 -0.440 0.736) 1.149 0.811 ( -0.931 -1.709 -0.264) 1.964 1.192 ( -6.035 5.364 2.332) 8.404 1.276 ( -4.541 -2.065 0.996) 5.087 1.336 ( -4.408 4.083 -0.506) 6.030 1.413 ( -6.161 -3.278 -0.418) 6.991 1.461 ( 2.890 0.971 1.937) 3.612 1.526 ( 2.169 -4.529 4.230) 6.565 1.617 ( 1.538 6.840 -4.453) 8.305 1.751 ( 4.698 -5.288 -5.476) 8.945 2.090 ( -2.493 2.034 0.120) 3.220 2.124 ( -0.417 -0.961 0.468) 1.148 2.185 ( 1.604 3.148 3.348) 4.867 2.223 ( -2.029 0.372 1.419) 2.504 2.601 ( -1.898 2.037 0.001) 2.784 2.635 ( 0.726 -0.683 -0.138) 1.006 2.848 ( -4.393 2.374 0.406) 5.009 2.896 ( 2.202 -2.233 1.068) 3.313 3.302 ( 2.396 0.086 2.470) 3.442 3.331 ( 2.037 -2.398 0.811) 3.249 3.874 ( -2.119 3.792 0.519) 4.375 3.896 ( 1.569 1.810 1.088) 2.631 4.064 ( 0.110 2.295 -0.455) 2.342 4.117 ( -3.819 -0.185 -4.475) 5.885 4.168 ( -4.568 2.598 -1.680) 5.518 4.234 ( -2.199 -2.917 -2.701) 4.543 4.591 ( 1.419 5.186 0.682) 5.419 4.602 ( 0.074 0.722 -3.468) 3.543 4.621 ( 3.315 -1.159 -1.718) 3.909 4.649 ( 0.057 0.296 -1.571) 1.599 8.933 ( -7.826 10.724 10.318) 16.814 9.106 ( -7.429 -4.515 4.217) 9.662 9.774 ( 3.164 1.485 0.568) 3.541 9.795 ( 4.890 -0.936 0.659) 5.022 10.126 ( 7.221 5.550 -2.462) 9.435 10.330 ( 6.755 -12.862 -10.880) 18.151 12.756 ( -1.345 2.696 2.913) 4.191 12.798 ( -2.283 -1.344 -0.125) 2.653 14.279 ( 1.502 3.542 -0.015) 3.847 14.306 ( -2.514 0.841 -3.799) 4.632 15.877 ( -3.045 0.959 -0.203) 3.199 15.921 ( 0.489 -3.315 -0.905) 3.471 ======================= Grid point 222 (126/148) ======================= q-point: (-0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 1.865 1.495 3.281) 4.060 0.867 ( 3.852 -3.122 3.879) 6.295 1.073 ( -7.333 5.806 2.034) 9.572 1.172 ( -6.899 -3.299 0.165) 7.649 1.220 ( -8.748 2.402 1.806) 9.250 1.292 ( -7.119 -4.817 1.723) 8.767 1.564 ( 3.741 1.420 2.495) 4.716 1.596 ( 3.208 3.309 -1.096) 4.737 1.638 ( 3.588 1.528 0.065) 3.900 1.778 ( 2.713 -6.695 -6.132) 9.475 1.999 ( -3.889 3.683 -0.685) 5.399 2.056 ( -5.218 -0.904 0.842) 5.362 2.167 ( -4.271 3.597 -0.438) 5.602 2.223 ( -0.747 -2.502 0.750) 2.717 2.586 ( -2.325 2.638 0.531) 3.557 2.626 ( -2.874 -1.128 -1.116) 3.283 2.799 ( -0.900 8.619 2.800) 9.107 2.990 ( 6.482 -8.595 3.491) 11.318 3.383 ( 5.180 1.508 1.492) 5.598 3.426 ( 6.079 -2.454 2.688) 7.085 3.824 ( -2.709 6.121 0.111) 6.695 3.922 ( -1.506 -2.884 0.269) 3.265 4.021 ( -1.901 3.580 -0.982) 4.170 4.079 ( -2.461 5.827 2.307) 6.733 4.095 ( 0.938 -0.299 1.538) 1.826 4.209 ( -0.680 -4.866 0.611) 4.952 4.578 ( -0.032 3.129 -0.995) 3.283 4.625 ( 1.016 -0.893 -0.444) 1.424 4.694 ( 7.327 5.376 2.148) 9.338 4.769 ( 9.234 -1.189 2.494) 9.639 8.794 ( -14.509 9.224 7.477) 18.749 8.930 ( -12.986 -2.981 1.005) 13.361 9.918 ( 10.920 2.324 1.753) 11.301 9.959 ( 10.502 -2.216 2.773) 11.085 10.291 ( 13.198 3.260 -2.071) 13.751 10.444 ( 14.228 -10.183 -8.216) 19.330 12.704 ( -6.636 1.197 0.239) 6.747 12.720 ( -5.817 -0.192 0.267) 5.826 14.246 ( -1.957 4.961 -1.441) 5.525 14.314 ( 1.219 -1.389 1.610) 2.451 15.802 ( -4.745 3.683 -0.336) 6.016 15.893 ( -2.504 -5.136 -1.283) 5.856 ======================= Grid point 223 (127/148) ======================= q-point: (-0.22 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -2.528 3.800 3.912) 6.011 0.906 ( -3.820 1.536 0.948) 4.225 1.032 ( -0.459 0.339 2.055) 2.132 1.080 ( -0.315 -2.127 0.417) 2.190 1.114 ( -4.946 1.232 4.679) 6.919 1.192 ( -5.374 -5.784 3.347) 8.575 1.547 ( -1.756 5.451 -2.576) 6.280 1.642 ( -1.439 -4.213 -1.940) 4.857 1.715 ( 5.911 3.518 0.679) 6.913 1.792 ( 3.805 -3.638 -2.658) 5.897 1.986 ( -1.194 2.037 4.464) 5.050 2.019 ( 0.356 -0.822 1.916) 2.116 2.072 ( -4.835 5.910 -1.246) 7.737 2.194 ( -2.327 -5.816 0.202) 6.267 2.476 ( -7.520 1.666 -2.524) 8.105 2.525 ( -5.433 -3.138 -3.865) 7.369 2.878 ( 4.187 13.408 5.962) 15.260 3.150 ( 7.276 -11.791 4.895) 14.694 3.479 ( 2.850 3.395 1.460) 4.667 3.548 ( 4.659 -3.104 2.519) 6.139 3.818 ( 1.350 4.037 1.313) 4.455 3.838 ( -3.435 1.757 -1.578) 4.169 4.048 ( 2.001 4.357 2.909) 5.608 4.093 ( 0.511 2.386 3.040) 3.898 4.138 ( 0.604 2.031 4.410) 4.892 4.218 ( 0.664 -4.351 2.205) 4.923 4.590 ( 1.602 3.828 1.305) 4.350 4.669 ( 3.198 -2.789 2.989) 5.191 4.850 ( 6.958 7.868 3.970) 11.228 4.966 ( 9.800 -2.921 3.376) 10.769 8.582 ( -14.133 8.082 5.196) 17.090 8.705 ( -12.142 -3.217 -0.391) 12.567 10.137 ( 11.243 1.648 1.822) 11.508 10.163 ( 9.738 -1.238 2.204) 10.061 10.549 ( 17.037 3.555 -0.910) 17.428 10.686 ( 18.614 -8.638 -5.321) 21.199 12.542 ( -10.376 2.176 -1.690) 10.735 12.590 ( -9.601 -2.148 0.393) 9.846 14.214 ( -1.451 6.652 1.131) 6.902 14.331 ( -1.331 -4.502 2.722) 5.426 15.725 ( -3.158 4.942 -0.505) 5.887 15.825 ( -3.649 -4.714 -1.526) 6.153 ======================= Grid point 224 (128/148) ======================= q-point: (-0.11 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -5.579 3.181 -0.103) 6.423 0.814 ( -4.852 1.266 -0.323) 5.025 1.009 ( -2.904 1.297 2.042) 3.780 1.076 ( -0.656 -4.531 0.437) 4.599 1.148 ( 2.403 3.901 4.262) 6.257 1.227 ( 3.416 -3.256 4.833) 6.755 1.509 ( -0.987 4.662 -0.098) 4.766 1.601 ( -0.492 -4.151 -2.142) 4.697 1.782 ( 1.347 3.010 -2.019) 3.867 1.839 ( 2.514 -2.303 -2.009) 3.957 1.972 ( -3.678 4.770 3.392) 6.913 2.009 ( -0.077 0.201 3.709) 3.715 2.085 ( 1.608 0.403 1.840) 2.476 2.163 ( -1.151 -5.579 1.271) 5.836 2.336 ( -4.844 1.818 -3.857) 6.454 2.407 ( -3.632 -4.684 -4.822) 7.641 3.001 ( 4.199 14.757 6.544) 16.680 3.299 ( 4.695 -13.413 4.754) 14.986 3.481 ( -2.326 5.936 -0.129) 6.377 3.586 ( -1.996 -4.626 0.557) 5.069 3.810 ( 2.424 7.304 0.271) 7.701 3.908 ( 4.448 -0.652 1.503) 4.741 4.085 ( -1.084 3.054 2.490) 4.086 4.137 ( 3.115 -2.216 1.659) 4.167 4.161 ( -0.264 6.676 2.127) 7.012 4.266 ( 1.162 -3.258 3.863) 5.185 4.669 ( 4.603 5.994 5.399) 9.288 4.783 ( 5.102 -4.166 6.382) 9.171 4.979 ( 3.714 9.891 4.345) 11.424 5.137 ( 6.585 -5.074 1.962) 8.541 8.404 ( -9.770 7.129 4.316) 12.842 8.518 ( -8.135 -3.584 -0.736) 8.920 10.305 ( 5.855 0.628 1.660) 6.118 10.324 ( 7.225 -0.837 0.336) 7.281 10.840 ( 14.025 5.579 1.493) 15.168 10.979 ( 17.822 -6.732 -5.138) 19.731 12.339 ( -10.127 1.485 -1.449) 10.338 12.393 ( -12.361 -3.260 -0.048) 12.784 14.220 ( 0.595 5.430 2.912) 6.190 14.317 ( -2.255 -3.926 3.030) 5.448 15.687 ( -0.765 3.950 -0.841) 4.111 15.758 ( -2.241 -2.942 -1.606) 4.032 ======================= Grid point 252 (129/148) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -1.452 0.000 -0.964) 1.743 0.656 ( 1.452 0.000 0.964) 1.743 0.781 ( 4.780 0.000 -4.076) 6.282 0.781 ( -4.780 0.000 4.076) 6.282 1.200 ( 0.711 0.000 -3.395) 3.469 1.200 ( -0.711 0.000 3.395) 3.469 1.519 ( 4.733 0.000 -4.518) 6.543 1.519 ( -4.733 0.000 4.518) 6.543 1.771 ( -0.097 0.000 -4.444) 4.445 1.771 ( 0.097 0.000 4.444) 4.445 2.028 ( -4.136 0.000 -6.011) 7.297 2.028 ( 4.136 0.000 6.011) 7.297 2.255 ( 1.226 0.000 -9.064) 9.147 2.255 ( -1.226 0.000 9.064) 9.147 2.402 ( -0.193 0.000 -1.776) 1.787 2.402 ( 0.193 0.000 1.776) 1.787 2.752 ( -10.476 0.000 -4.863) 11.550 2.752 ( 10.476 0.000 4.863) 11.550 3.242 ( -2.214 0.000 -2.271) 3.172 3.242 ( 2.214 0.000 2.271) 3.172 3.674 ( -1.390 0.000 -1.320) 1.917 3.674 ( 1.390 0.000 1.320) 1.917 4.133 ( -10.598 0.000 2.153) 10.815 4.133 ( 10.598 0.000 -2.153) 10.815 4.377 ( -3.204 0.000 -2.705) 4.193 4.377 ( 3.204 0.000 2.705) 4.193 4.678 ( -4.963 0.000 -4.937) 7.001 4.678 ( 4.963 0.000 4.937) 7.001 5.104 ( -1.041 0.000 -8.543) 8.606 5.104 ( 1.041 0.000 8.543) 8.606 8.233 ( 4.313 0.000 -9.739) 10.651 8.233 ( -4.313 0.000 9.739) 10.651 10.332 ( -0.444 0.000 -2.445) 2.485 10.332 ( 0.444 0.000 2.445) 2.485 11.153 ( 24.244 0.000 -9.346) 25.983 11.153 ( -24.244 0.000 9.346) 25.983 12.318 ( 10.501 0.000 -5.918) 12.054 12.318 ( -10.501 0.000 5.918) 12.054 14.233 ( -12.144 0.000 -2.435) 12.386 14.233 ( 12.144 0.000 2.435) 12.386 15.670 ( -3.397 0.000 -6.555) 7.383 15.670 ( 3.397 0.000 6.555) 7.383 ======================= Grid point 254 (130/148) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -0.627 0.000 -1.305) 1.448 0.740 ( 8.632 0.000 -2.835) 9.085 0.843 ( 8.097 0.000 3.224) 8.715 0.877 ( 7.201 0.000 -2.136) 7.511 1.170 ( -5.612 0.000 3.051) 6.388 1.171 ( -0.640 0.000 -1.993) 2.093 1.433 ( -5.564 0.000 -1.319) 5.718 1.554 ( 4.601 0.000 -6.196) 7.718 1.726 ( -0.102 0.000 -4.616) 4.617 1.770 ( -3.530 0.000 3.372) 4.882 1.994 ( 2.210 0.000 -0.436) 2.253 2.168 ( 1.416 0.000 7.403) 7.537 2.201 ( 0.499 0.000 -8.845) 8.859 2.326 ( 4.687 0.000 6.852) 8.301 2.328 ( -5.053 0.000 -8.563) 9.942 2.432 ( 3.029 0.000 0.983) 3.184 2.615 ( -3.545 0.000 4.138) 5.449 2.990 ( 10.123 0.000 6.779) 12.183 3.218 ( 0.560 0.000 0.707) 0.902 3.311 ( 2.576 0.000 2.946) 3.914 3.623 ( -3.084 0.000 -1.580) 3.465 3.692 ( -0.332 0.000 0.962) 1.018 3.931 ( -12.529 0.000 1.233) 12.590 4.235 ( 4.110 0.000 -7.155) 8.252 4.285 ( -4.404 0.000 -3.497) 5.623 4.438 ( 2.164 0.000 0.887) 2.339 4.534 ( -4.404 0.000 -7.809) 8.966 4.746 ( 1.050 0.000 -3.633) 3.782 4.978 ( -4.549 0.000 -8.022) 9.222 5.114 ( -5.164 0.000 2.885) 5.915 8.276 ( 0.615 0.000 9.401) 9.421 8.285 ( 10.129 0.000 -9.862) 14.137 10.244 ( -7.001 0.000 -3.348) 7.761 10.307 ( -5.022 0.000 2.511) 5.615 10.785 ( -26.062 0.000 13.632) 29.412 11.416 ( 10.148 0.000 -6.524) 12.064 12.238 ( -2.860 0.000 7.276) 7.818 12.472 ( 11.161 0.000 -5.281) 12.348 14.027 ( -8.822 0.000 -1.953) 9.035 14.454 ( 10.476 0.000 -0.236) 10.478 15.574 ( -0.239 0.000 -8.277) 8.281 15.788 ( 5.783 0.000 3.507) 6.763 ======================= Grid point 255 (131/148) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 2.652 0.000 0.200) 2.659 0.833 ( 4.324 0.000 -5.917) 7.329 1.018 ( 8.479 0.000 3.413) 9.140 1.047 ( 5.788 0.000 1.724) 6.039 1.082 ( -0.103 0.000 2.606) 2.608 1.146 ( 0.336 0.000 -4.798) 4.810 1.380 ( 1.672 0.000 -1.160) 2.035 1.581 ( 2.845 0.000 -5.234) 5.958 1.702 ( 1.847 0.000 -4.783) 5.127 1.710 ( -6.248 0.000 4.492) 7.695 2.061 ( 4.156 0.000 1.591) 4.450 2.121 ( -6.403 0.000 -4.905) 8.065 2.165 ( -1.207 0.000 -8.958) 9.039 2.172 ( -3.562 0.000 3.144) 4.751 2.441 ( 2.201 0.000 1.937) 2.932 2.563 ( 8.469 0.000 2.716) 8.894 2.639 ( 0.443 0.000 5.795) 5.812 3.160 ( 4.422 0.000 1.166) 4.573 3.274 ( 3.051 0.000 4.511) 5.446 3.308 ( -5.762 0.000 -1.494) 5.953 3.584 ( 0.426 0.000 1.793) 1.843 3.678 ( -1.849 0.000 0.491) 1.913 3.786 ( -4.971 0.000 6.809) 8.430 4.163 ( -1.503 0.000 -13.546) 13.629 4.185 ( -3.735 0.000 -2.663) 4.587 4.428 ( -2.941 0.000 -0.925) 3.083 4.482 ( 3.270 0.000 -5.133) 6.086 4.628 ( -6.528 0.000 -11.758) 13.449 4.875 ( -2.544 0.000 -3.408) 4.253 4.972 ( -9.570 0.000 -4.645) 10.638 8.385 ( 3.247 0.000 9.200) 9.756 8.428 ( 14.384 0.000 -10.072) 17.560 10.051 ( -10.824 0.000 -4.303) 11.648 10.200 ( -9.004 0.000 0.755) 9.036 10.499 ( -19.360 0.000 19.440) 27.436 11.376 ( -7.447 0.000 -6.922) 10.167 12.338 ( 6.164 0.000 7.579) 9.769 12.611 ( 9.093 0.000 -5.588) 10.673 13.903 ( -4.326 0.000 0.169) 4.330 14.535 ( 0.749 0.000 -6.752) 6.793 15.579 ( 7.496 0.000 -5.047) 9.036 15.926 ( 6.647 0.000 3.090) 7.330 ======================= Grid point 256 (132/148) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 5.176 0.000 1.271) 5.330 0.840 ( 1.047 0.000 -2.474) 2.687 0.965 ( -5.509 0.000 1.083) 5.615 1.048 ( -3.182 0.000 -1.977) 3.746 1.255 ( 11.532 0.000 -1.250) 11.600 1.299 ( 10.834 0.000 2.685) 11.162 1.409 ( 1.704 0.000 -2.793) 3.272 1.560 ( -1.480 0.000 -1.689) 2.245 1.646 ( -4.543 0.000 4.140) 6.147 1.758 ( 7.899 0.000 -1.395) 8.021 1.953 ( -7.400 0.000 -3.960) 8.393 2.102 ( 1.777 0.000 -5.161) 5.459 2.117 ( -3.820 0.000 -0.392) 3.840 2.183 ( 4.402 0.000 4.649) 6.402 2.453 ( -1.656 0.000 -1.056) 1.964 2.618 ( -3.534 0.000 -5.109) 6.212 2.706 ( 2.924 0.000 4.114) 5.047 3.112 ( -6.872 0.000 -3.174) 7.570 3.252 ( 2.998 0.000 1.555) 3.378 3.368 ( 2.546 0.000 5.945) 6.467 3.583 ( -2.574 0.000 0.560) 2.634 3.632 ( -3.792 0.000 -0.021) 3.792 3.904 ( 7.692 0.000 12.131) 14.364 4.047 ( 0.474 0.000 -11.475) 11.485 4.130 ( -1.381 0.000 -0.072) 1.383 4.368 ( -3.199 0.000 -1.300) 3.453 4.406 ( -8.179 0.000 -8.753) 11.980 4.495 ( 2.954 0.000 -5.708) 6.427 4.744 ( -9.252 0.000 -8.909) 12.844 4.798 ( -3.319 0.000 -4.018) 5.211 8.523 ( 3.905 0.000 9.922) 10.663 8.608 ( 14.167 0.000 -10.711) 17.760 9.832 ( -9.306 0.000 -3.946) 10.108 10.000 ( -13.094 0.000 0.499) 13.104 10.434 ( -6.593 0.000 21.366) 22.360 11.118 ( -12.437 0.000 -11.049) 16.635 12.512 ( 6.097 0.000 7.463) 9.637 12.697 ( 5.741 0.000 -6.259) 8.494 13.883 ( 0.559 0.000 3.441) 3.486 14.396 ( -7.188 0.000 -10.986) 13.129 15.740 ( 12.342 0.000 -2.052) 12.512 16.040 ( 2.399 0.000 3.812) 4.505 ======================= Grid point 257 (133/148) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 4.761 0.000 0.921) 4.850 0.844 ( 0.655 0.000 -0.186) 0.680 0.903 ( -1.815 0.000 1.528) 2.373 0.965 ( -4.341 0.000 -2.480) 4.999 1.366 ( 5.346 0.000 -8.940) 10.417 1.396 ( -3.103 0.000 4.477) 5.447 1.473 ( 6.275 0.000 3.538) 7.204 1.588 ( -4.791 0.000 0.454) 4.813 1.613 ( 7.956 0.000 2.691) 8.399 1.787 ( -8.217 0.000 -2.833) 8.692 1.919 ( 7.999 0.000 0.613) 8.022 2.035 ( -4.657 0.000 -1.566) 4.913 2.142 ( 5.915 0.000 1.551) 6.115 2.317 ( 5.937 0.000 5.370) 8.005 2.328 ( -9.421 0.000 -6.011) 11.175 2.460 ( -5.938 0.000 -5.498) 8.093 2.810 ( 6.316 0.000 2.135) 6.667 2.957 ( -8.710 0.000 -0.989) 8.766 3.381 ( 8.721 0.000 1.425) 8.837 3.450 ( 2.509 0.000 4.251) 4.937 3.525 ( -3.170 0.000 -1.835) 3.663 3.535 ( -7.136 0.000 -0.609) 7.162 4.022 ( 4.035 0.000 -5.273) 6.640 4.090 ( -4.106 0.000 0.068) 4.106 4.152 ( 8.435 0.000 9.997) 13.080 4.283 ( -0.387 0.000 2.212) 2.245 4.292 ( -3.788 0.000 -2.607) 4.599 4.429 ( -5.934 0.000 -10.743) 12.273 4.616 ( 2.296 0.000 -1.641) 2.822 4.699 ( -4.659 0.000 -3.024) 5.555 8.660 ( 1.786 0.000 11.221) 11.362 8.715 ( 6.607 0.000 -11.596) 13.346 9.713 ( -0.175 0.000 -2.574) 2.580 9.794 ( -10.160 0.000 1.555) 10.279 10.563 ( 2.955 0.000 19.315) 19.540 10.814 ( -9.635 0.000 -15.783) 18.492 12.648 ( 2.704 0.000 7.274) 7.760 12.712 ( 1.614 0.000 -6.874) 7.061 13.976 ( 5.270 0.000 7.323) 9.022 14.168 ( -8.249 0.000 -10.427) 13.295 15.933 ( 10.432 0.000 -2.075) 10.636 16.049 ( -4.644 0.000 3.243) 5.664 ======================= Grid point 262 (134/148) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -0.222 3.338 -4.470) 5.583 0.760 ( 0.222 3.338 4.470) 5.583 0.782 ( -2.528 4.899 -4.564) 7.157 0.782 ( 2.528 4.899 4.564) 7.157 1.222 ( 0.098 1.785 -3.585) 4.006 1.222 ( -0.098 1.785 3.585) 4.006 1.540 ( 2.481 1.237 -5.911) 6.529 1.540 ( -2.481 1.237 5.911) 6.529 1.763 ( -0.467 -0.366 -4.114) 4.157 1.763 ( 0.467 -0.366 4.114) 4.157 2.053 ( -2.943 1.471 -4.407) 5.499 2.053 ( 2.943 1.471 4.407) 5.499 2.243 ( -2.629 -2.283 -5.437) 6.456 2.243 ( 2.629 -2.283 5.437) 6.456 2.382 ( -1.902 -1.602 -3.122) 3.991 2.382 ( 1.902 -1.602 3.122) 3.991 2.820 ( -9.467 7.154 -7.158) 13.859 2.820 ( 9.467 7.154 7.158) 13.859 3.392 ( -4.153 12.513 -2.625) 13.443 3.392 ( 4.153 12.513 2.625) 13.443 3.698 ( -3.618 2.825 -1.249) 4.758 3.698 ( 3.618 2.825 1.249) 4.758 4.097 ( -6.311 -3.272 -1.119) 7.197 4.097 ( 6.311 -3.272 1.119) 7.197 4.370 ( -2.999 -0.825 -2.966) 4.298 4.370 ( 2.999 -0.825 2.966) 4.298 4.704 ( -4.939 2.640 -4.428) 7.140 4.704 ( 4.939 2.640 4.428) 7.140 5.115 ( -1.082 1.084 -8.753) 8.886 5.115 ( 1.082 1.084 8.753) 8.886 8.262 ( 3.929 2.728 -9.187) 10.358 8.262 ( -3.929 2.728 9.187) 10.358 10.358 ( -0.801 2.168 -1.342) 2.673 10.358 ( 0.801 2.168 1.342) 2.673 11.104 ( 14.747 -3.923 -9.876) 18.177 11.104 ( -14.747 -3.923 9.876) 18.177 12.314 ( 8.967 -0.683 -4.133) 9.897 12.314 ( -8.967 -0.683 4.133) 9.897 14.249 ( -10.757 1.510 -2.375) 11.119 14.249 ( 10.757 1.510 2.375) 11.119 15.675 ( -2.820 0.431 -5.754) 6.422 15.675 ( 2.820 0.431 5.754) 6.422 ======================= Grid point 264 (135/148) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -1.423 4.619 -0.874) 4.912 0.778 ( 6.171 1.359 -4.581) 7.805 0.886 ( 8.401 6.082 1.423) 10.468 0.930 ( 8.637 3.577 2.899) 9.788 1.153 ( -4.846 -0.228 0.164) 4.854 1.230 ( -1.244 3.578 0.574) 3.831 1.523 ( -2.590 6.078 0.242) 6.611 1.535 ( 2.687 -1.338 -6.337) 7.012 1.715 ( -1.116 -0.589 -1.661) 2.086 1.787 ( -1.096 1.146 1.907) 2.480 2.001 ( -0.327 0.925 -0.656) 1.180 2.115 ( 1.479 -3.890 -6.621) 7.821 2.199 ( -0.878 -0.668 3.618) 3.782 2.308 ( -1.629 -2.871 -4.651) 5.704 2.337 ( 2.472 -0.232 4.636) 5.258 2.457 ( 4.631 0.313 1.910) 5.019 2.644 ( -5.007 5.237 -1.177) 7.340 3.048 ( 8.633 6.846 6.263) 12.673 3.334 ( -0.991 9.889 1.871) 10.114 3.494 ( 3.781 14.140 3.952) 15.161 3.603 ( -5.623 0.322 -2.660) 6.229 3.751 ( 1.486 4.423 0.730) 4.723 3.897 ( -11.861 -2.797 0.391) 12.192 4.214 ( 5.009 -1.983 -5.784) 7.904 4.276 ( -4.089 -1.048 -4.145) 5.916 4.423 ( 1.615 -1.468 0.301) 2.203 4.564 ( -4.887 3.000 -6.649) 8.780 4.772 ( 1.274 2.649 -2.934) 4.153 4.979 ( -5.297 0.341 -9.133) 10.563 5.128 ( -5.056 1.221 3.121) 6.066 8.297 ( 4.290 2.452 1.358) 5.124 8.331 ( 7.154 3.754 -1.354) 8.191 10.269 ( -7.396 2.233 -2.456) 8.106 10.330 ( -4.775 1.839 0.724) 5.168 10.757 ( -25.526 -2.122 13.767) 29.079 11.317 ( 7.632 -8.521 -8.514) 14.260 12.238 ( -1.326 0.147 6.459) 6.596 12.487 ( 11.405 0.630 -3.364) 11.908 14.065 ( -7.648 3.588 -2.309) 8.758 14.447 ( 9.616 -0.655 -0.438) 9.648 15.593 ( -0.319 1.689 -6.563) 6.784 15.783 ( 5.477 -0.521 3.044) 6.287 ======================= Grid point 265 (136/148) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 3.206 5.741 0.326) 6.584 0.849 ( 4.529 1.595 -5.836) 7.557 1.048 ( 5.030 1.880 2.054) 5.749 1.079 ( -1.046 -0.142 1.583) 1.903 1.108 ( 7.542 4.739 3.597) 9.606 1.227 ( 3.265 3.962 -2.750) 5.824 1.459 ( -1.772 5.117 -4.378) 6.964 1.552 ( 2.949 0.945 -2.636) 4.067 1.699 ( -1.919 -0.343 2.511) 3.179 1.761 ( -1.418 3.346 -0.131) 3.637 2.012 ( 0.533 -4.278 1.536) 4.577 2.073 ( -0.340 -2.830 -5.377) 6.086 2.121 ( -3.969 -1.019 -7.950) 8.944 2.255 ( -2.690 3.767 1.597) 4.897 2.443 ( 4.764 -0.454 2.272) 5.298 2.573 ( 5.166 -1.744 3.731) 6.606 2.625 ( 1.102 1.677 1.467) 2.485 3.177 ( 3.045 4.856 3.330) 6.629 3.361 ( -5.276 5.864 0.747) 7.923 3.455 ( -1.893 8.078 -3.724) 9.094 3.581 ( 0.320 4.642 4.418) 6.416 3.750 ( -2.688 -0.615 4.697) 5.446 3.771 ( -1.713 4.441 1.848) 5.106 4.164 ( -1.971 0.290 -9.376) 9.585 4.187 ( -1.914 0.157 -5.931) 6.234 4.444 ( 2.468 -3.251 -3.500) 5.377 4.470 ( -2.319 3.433 -2.013) 4.606 4.666 ( -6.511 3.783 -11.324) 13.599 4.849 ( -3.775 -2.013 -4.186) 5.985 4.994 ( -9.122 1.751 -3.511) 9.930 8.420 ( 6.101 3.369 5.612) 8.948 8.480 ( 12.625 4.746 -5.919) 14.730 10.077 ( -11.080 2.336 -3.797) 11.943 10.210 ( -9.342 0.732 -0.108) 9.371 10.472 ( -19.366 -2.178 18.108) 26.602 11.236 ( -7.585 -12.196 -8.581) 16.731 12.356 ( 6.920 1.701 7.044) 10.020 12.638 ( 8.647 1.732 -3.791) 9.599 13.955 ( -3.571 4.868 -0.405) 6.051 14.527 ( 1.255 -0.917 -5.977) 6.176 15.599 ( 6.440 1.852 -4.184) 7.900 15.911 ( 6.194 -1.450 2.725) 6.920 ======================= Grid point 266 (137/148) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 5.769 6.451 1.188) 8.736 0.845 ( -0.020 0.448 -2.563) 2.602 0.999 ( -4.470 3.031 0.116) 5.402 1.132 ( -1.865 6.171 -0.867) 6.505 1.241 ( 7.357 -4.024 0.283) 8.391 1.351 ( 9.896 5.110 -1.848) 11.290 1.424 ( 1.853 1.173 -1.986) 2.958 1.569 ( 0.128 1.090 -2.552) 2.778 1.658 ( -5.787 1.741 6.960) 9.218 1.803 ( 5.709 2.691 -0.220) 6.315 1.942 ( -6.074 0.364 -4.294) 7.448 2.033 ( 1.526 -6.135 -0.411) 6.335 2.100 ( 3.290 0.384 -4.201) 5.349 2.227 ( -1.418 3.007 2.100) 3.932 2.500 ( 0.157 3.280 0.048) 3.284 2.623 ( -2.749 0.265 -3.679) 4.600 2.679 ( 4.831 -1.654 3.048) 5.947 3.154 ( -11.007 2.618 -2.796) 11.655 3.272 ( 4.424 1.345 5.579) 7.246 3.450 ( 1.020 8.508 -2.341) 8.883 3.562 ( -4.148 -0.251 1.720) 4.497 3.721 ( -3.498 6.535 -0.510) 7.430 3.896 ( 7.961 -0.866 11.114) 13.699 4.058 ( 0.340 1.426 -10.582) 10.683 4.142 ( -1.045 1.088 -0.761) 1.689 4.418 ( -2.220 3.601 -2.737) 5.039 4.451 ( -7.571 4.672 -7.553) 11.670 4.460 ( 2.307 -2.937 -3.740) 5.286 4.717 ( -7.321 -2.053 -6.652) 10.103 4.811 ( -6.186 1.019 -5.270) 8.190 8.579 ( 5.153 5.158 9.208) 11.745 8.662 ( 13.951 5.142 -9.712) 17.759 9.855 ( -9.749 2.094 -3.687) 10.631 10.006 ( -12.953 0.457 0.459) 12.969 10.383 ( -7.583 -4.580 19.332) 21.265 10.982 ( -11.315 -12.170 -11.407) 20.156 12.535 ( 6.499 2.145 6.977) 9.773 12.726 ( 5.084 2.095 -4.936) 7.389 13.938 ( 0.781 5.196 2.746) 5.929 14.410 ( -6.423 1.063 -9.674) 11.661 15.742 ( 11.158 0.274 -1.792) 11.304 16.016 ( 2.350 -2.245 3.221) 4.576 ======================= Grid point 267 (138/148) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 1.813 -0.617 0.180) 1.924 0.907 ( -2.342 0.169 0.235) 2.359 0.925 ( 4.466 8.070 0.440) 9.233 1.048 ( -5.633 7.599 -2.201) 9.712 1.338 ( 4.819 -1.745 -0.387) 5.140 1.415 ( -1.779 1.047 -2.565) 3.292 1.512 ( 5.920 1.931 1.334) 6.369 1.573 ( 1.844 -1.977 -1.047) 2.899 1.630 ( -0.625 2.505 5.332) 5.924 1.755 ( -7.422 -2.416 -3.056) 8.382 1.963 ( 6.065 4.370 0.430) 7.488 2.045 ( -2.155 0.110 -0.537) 2.224 2.143 ( 6.296 0.117 -0.327) 6.306 2.243 ( -1.451 -2.321 1.442) 3.094 2.455 ( -2.133 6.756 -1.590) 7.260 2.504 ( -4.796 3.928 -3.517) 7.127 2.805 ( 7.330 -0.347 1.671) 7.526 2.963 ( -9.490 0.379 -1.019) 9.552 3.397 ( 3.907 -3.305 4.987) 7.146 3.484 ( -2.231 0.961 -0.064) 2.430 3.501 ( 4.351 5.749 -1.694) 7.406 3.626 ( -6.420 7.701 -1.386) 10.122 4.020 ( 3.755 0.061 -4.343) 5.742 4.090 ( -4.578 -0.044 -0.586) 4.616 4.154 ( 9.247 -0.335 10.193) 13.766 4.334 ( -1.902 3.910 -0.416) 4.368 4.354 ( -2.896 5.180 -3.105) 6.698 4.412 ( -4.647 -0.448 -7.379) 8.732 4.601 ( 1.465 -1.148 -1.140) 2.182 4.684 ( -5.017 -1.211 -3.443) 6.204 8.726 ( 1.878 6.107 11.198) 12.893 8.776 ( 7.057 5.794 -11.540) 14.715 9.728 ( -0.754 1.351 -2.327) 2.794 9.803 ( -9.862 0.773 1.373) 9.987 10.480 ( 1.840 -7.681 17.787) 19.462 10.700 ( -8.434 -10.284 -14.985) 20.036 12.674 ( 3.080 2.253 6.643) 7.661 12.739 ( 1.127 2.207 -5.957) 6.452 14.025 ( 5.037 4.521 6.435) 9.339 14.203 ( -7.747 3.079 -9.296) 12.486 15.918 ( 9.523 -1.280 -1.725) 9.762 16.025 ( -4.105 -2.213 2.687) 5.382 ======================= Grid point 272 (139/148) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -2.995 -0.939 -0.531) 3.184 0.748 ( 2.995 -0.939 0.531) 3.184 0.952 ( -0.791 7.300 -2.962) 7.917 0.952 ( 0.791 7.300 2.962) 7.917 1.256 ( -1.393 1.097 -4.081) 4.449 1.256 ( 1.393 1.097 4.081) 4.449 1.559 ( 1.436 0.898 -6.156) 6.385 1.559 ( -1.436 0.898 6.156) 6.385 1.761 ( -1.061 -0.086 -3.539) 3.696 1.761 ( 1.061 -0.086 3.539) 3.696 2.072 ( -0.258 0.480 -2.678) 2.733 2.072 ( 0.258 0.480 2.678) 2.733 2.173 ( -2.275 -3.332 -3.176) 5.134 2.173 ( 2.275 -3.332 3.176) 5.134 2.325 ( -1.718 -3.878 -3.939) 5.789 2.325 ( 1.718 -3.878 3.939) 5.789 3.027 ( -7.739 11.863 -8.338) 16.436 3.027 ( 7.739 11.863 8.338) 16.436 3.566 ( -0.812 1.566 -1.743) 2.480 3.566 ( 0.812 1.566 1.743) 2.480 3.852 ( 2.040 10.350 -1.474) 10.652 3.852 ( -2.040 10.350 1.474) 10.652 4.027 ( -2.898 -1.581 -3.867) 5.085 4.027 ( 2.898 -1.581 3.867) 5.085 4.339 ( -3.507 -2.213 -2.425) 4.804 4.339 ( 3.507 -2.213 2.425) 4.804 4.791 ( -4.583 5.797 -3.889) 8.351 4.791 ( 4.583 5.797 3.889) 8.351 5.142 ( -1.084 1.243 -8.305) 8.467 5.142 ( 1.084 1.243 8.305) 8.467 8.334 ( 2.835 3.838 -7.057) 8.519 8.334 ( -2.835 3.838 7.057) 8.519 10.394 ( 1.227 0.664 -1.248) 1.872 10.394 ( -1.227 0.664 1.248) 1.872 11.041 ( 11.471 -1.274 -11.293) 16.147 11.041 ( -11.471 -1.274 11.293) 16.147 12.281 ( -7.131 -2.449 1.757) 7.742 12.281 ( 7.131 -2.449 -1.757) 7.742 14.288 ( -7.161 1.992 -1.899) 7.672 14.288 ( 7.161 1.992 1.899) 7.672 15.685 ( -1.613 0.395 -3.784) 4.133 15.685 ( 1.613 0.395 3.784) 4.133 ======================= Grid point 274 (140/148) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 3.122 1.056 -0.235) 3.304 0.838 ( 6.172 2.129 -4.924) 8.178 0.972 ( 5.411 2.882 2.511) 6.625 1.037 ( 4.451 5.446 3.565) 7.885 1.154 ( -5.726 0.328 -1.865) 6.031 1.289 ( -0.472 1.428 -0.234) 1.522 1.529 ( 0.866 1.163 -5.607) 5.791 1.587 ( 0.286 0.176 3.016) 3.035 1.720 ( -1.470 0.840 -0.816) 1.879 1.808 ( 0.659 0.624 3.248) 3.373 2.022 ( -3.675 -0.274 -4.294) 5.659 2.050 ( 1.290 -0.260 -4.207) 4.408 2.195 ( 0.239 0.296 1.632) 1.675 2.217 ( 1.947 -4.774 -1.953) 5.514 2.298 ( 2.465 -3.671 2.929) 5.304 2.399 ( 2.810 -4.501 4.308) 6.835 2.847 ( -5.326 12.686 -5.868) 14.957 3.240 ( 8.000 10.370 6.128) 14.460 3.502 ( -4.635 -0.621 1.575) 4.934 3.570 ( -1.765 3.725 1.193) 4.291 3.782 ( -8.746 -1.800 -1.659) 9.082 3.835 ( -0.737 10.787 -0.681) 10.834 3.956 ( 0.494 11.763 0.083) 11.774 4.156 ( 6.674 -3.417 -2.546) 7.918 4.239 ( -4.236 -2.401 -3.895) 6.235 4.384 ( 0.673 -2.264 -0.852) 2.511 4.655 ( -5.453 5.921 -6.036) 10.061 4.852 ( 0.794 4.650 -0.807) 4.786 5.001 ( -6.031 1.922 -10.766) 12.489 5.155 ( -4.788 0.966 2.957) 5.709 8.371 ( 5.189 4.365 0.806) 6.828 8.419 ( 7.716 4.218 0.490) 8.807 10.315 ( -7.381 1.627 -0.777) 7.598 10.356 ( -4.496 0.197 -1.720) 4.818 10.741 ( -23.536 1.535 10.797) 25.940 11.126 ( -0.266 -9.010 -8.927) 12.687 12.249 ( 2.882 1.099 4.842) 5.741 12.469 ( 11.902 -2.657 -0.972) 12.234 14.163 ( -4.589 5.621 -2.811) 7.782 14.424 ( 7.136 -1.749 -1.062) 7.424 15.636 ( -0.014 2.374 -3.246) 4.021 15.765 ( 4.479 -1.282 2.056) 5.092 ======================= Grid point 275 (141/148) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 5.509 4.747 0.409) 7.284 0.900 ( 4.313 3.022 -5.874) 7.889 1.066 ( -0.471 -1.108 0.580) 1.336 1.090 ( 3.106 1.609 0.041) 3.498 1.168 ( 5.056 0.567 4.102) 6.536 1.271 ( 3.002 0.718 -2.494) 3.968 1.496 ( 0.245 1.890 -5.927) 6.226 1.621 ( 0.397 0.578 2.942) 3.025 1.696 ( -1.419 0.694 1.977) 2.531 1.805 ( -3.443 -0.250 1.571) 3.792 1.953 ( -0.078 1.122 -2.636) 2.866 2.057 ( 0.852 0.492 -2.014) 2.242 2.098 ( -1.914 -1.100 -6.929) 7.273 2.281 ( 0.220 -2.015 1.692) 2.641 2.416 ( 7.197 -1.673 3.533) 8.190 2.497 ( 4.092 -3.920 5.065) 7.601 2.753 ( -1.266 9.915 -4.679) 11.036 3.307 ( -4.056 4.633 1.503) 6.339 3.430 ( -6.247 -0.782 -1.898) 6.576 3.568 ( -2.212 7.477 1.692) 7.979 3.663 ( 0.311 -2.459 6.315) 6.784 3.806 ( -1.447 8.018 -2.631) 8.562 3.938 ( -2.847 10.123 -0.864) 10.551 4.172 ( 0.003 0.479 -3.280) 3.315 4.196 ( 1.943 0.625 -8.292) 8.539 4.362 ( 0.051 -4.183 -2.921) 5.102 4.549 ( -2.422 4.167 -2.794) 5.571 4.784 ( -7.444 6.668 -10.026) 14.156 4.813 ( -4.286 -0.642 -4.118) 5.978 5.029 ( -9.083 1.271 -2.287) 9.452 8.515 ( 8.946 5.614 3.390) 11.092 8.595 ( 12.344 5.538 -1.778) 13.645 10.134 ( -11.234 2.752 -2.619) 11.859 10.218 ( -9.757 -0.154 -1.051) 9.815 10.441 ( -19.431 0.083 12.362) 23.030 10.946 ( -10.368 -14.702 -8.751) 20.006 12.407 ( 8.641 3.305 5.523) 10.774 12.646 ( 8.820 -1.357 -1.230) 9.008 14.090 ( -1.756 7.834 -1.628) 8.192 14.489 ( 1.983 -3.038 -4.635) 5.886 15.652 ( 4.574 3.177 -2.271) 6.014 15.868 ( 5.123 -2.777 1.886) 6.125 ======================= Grid point 276 (142/148) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -2.427 0.960 -3.092) 4.047 0.921 ( 4.287 4.448 0.466) 6.195 1.053 ( -3.150 0.891 -2.953) 4.409 1.168 ( 7.803 -0.541 0.895) 7.872 1.243 ( 4.031 2.810 0.092) 4.914 1.395 ( 7.371 -0.948 -0.724) 7.467 1.450 ( -0.533 2.817 -4.082) 4.988 1.599 ( -2.701 1.284 -1.634) 3.408 1.697 ( -3.863 0.825 5.247) 6.567 1.782 ( -0.168 -5.097 1.489) 5.313 1.923 ( -0.469 -0.483 -0.287) 0.732 2.040 ( 2.528 5.833 -1.352) 6.500 2.114 ( 4.688 0.160 -3.428) 5.810 2.263 ( -2.608 -0.202 0.600) 2.684 2.548 ( 3.885 1.303 2.108) 4.608 2.599 ( 2.363 -1.845 2.334) 3.799 2.718 ( 2.316 5.669 -3.748) 7.180 3.163 ( -10.838 -2.006 -2.475) 11.296 3.323 ( -3.541 3.239 2.595) 5.456 3.513 ( -4.120 -1.999 0.105) 4.580 3.701 ( -0.431 10.326 -3.016) 10.766 3.869 ( 1.919 5.806 3.241) 6.920 3.884 ( 2.475 1.734 4.577) 5.485 4.109 ( -0.110 3.441 -9.892) 10.474 4.172 ( -0.041 1.824 -3.252) 3.729 4.360 ( 1.551 -5.713 -3.735) 7.000 4.505 ( -1.479 3.767 -1.032) 4.176 4.588 ( -6.391 7.324 -5.121) 10.987 4.685 ( -6.377 -0.255 -4.531) 7.826 4.834 ( -8.973 1.015 -4.906) 10.277 8.714 ( 8.539 7.551 6.852) 13.300 8.800 ( 13.517 7.377 -5.844) 16.471 9.909 ( -10.752 2.901 -3.029) 11.541 10.014 ( -12.415 0.184 0.304) 12.420 10.277 ( -10.119 -4.729 12.994) 17.135 10.681 ( -10.774 -15.794 -9.986) 21.569 12.593 ( 7.124 3.356 5.448) 9.576 12.753 ( 4.954 0.138 -2.452) 5.529 14.080 ( 1.014 8.077 0.978) 8.199 14.420 ( -4.143 -0.609 -6.805) 7.991 15.757 ( 8.180 1.369 -1.140) 8.372 15.954 ( 2.396 -3.686 1.940) 4.805 ======================= Grid point 277 (143/148) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.647 -1.111 0.003) 1.286 0.885 ( -4.533 -2.186 -2.288) 5.529 1.094 ( 6.747 7.246 0.401) 9.909 1.207 ( -3.800 6.254 -1.359) 7.443 1.342 ( 5.732 2.724 1.889) 6.622 1.422 ( -1.120 -0.161 -1.941) 2.247 1.485 ( 4.112 -2.895 0.371) 5.043 1.548 ( -0.497 -1.046 -4.225) 4.381 1.669 ( -2.887 -0.452 5.557) 6.279 1.714 ( -4.401 -1.672 -2.280) 5.231 2.027 ( 6.960 -0.395 2.913) 7.555 2.088 ( 1.502 6.793 0.798) 7.003 2.165 ( 3.087 0.846 -2.959) 4.359 2.208 ( -4.034 -0.482 0.601) 4.107 2.567 ( 0.324 3.550 -1.743) 3.968 2.593 ( -1.978 3.848 0.117) 4.328 2.810 ( 7.255 1.313 0.428) 7.385 2.960 ( -9.602 -0.899 -1.290) 9.730 3.334 ( 1.718 -2.163 3.370) 4.357 3.418 ( -4.898 -3.638 -2.140) 6.466 3.724 ( 4.030 10.380 -0.224) 11.137 3.805 ( -4.261 8.327 -0.749) 9.384 4.033 ( 3.216 0.903 0.199) 3.346 4.093 ( -0.928 0.626 -1.975) 2.271 4.145 ( 4.918 0.146 3.325) 5.938 4.308 ( -4.236 -4.140 -6.804) 9.021 4.482 ( -1.007 5.876 1.867) 6.247 4.503 ( -1.115 6.940 -2.674) 7.520 4.584 ( -0.622 -0.200 0.339) 0.736 4.663 ( -6.106 -0.476 -4.194) 7.423 8.892 ( 3.311 9.435 9.884) 14.060 8.938 ( 7.470 9.237 -9.739) 15.361 9.761 ( -2.466 1.672 -1.604) 3.384 9.819 ( -9.013 0.619 0.715) 9.063 10.285 ( -0.560 -10.146 12.942) 16.454 10.439 ( -6.738 -13.971 -11.744) 19.456 12.727 ( 3.402 2.656 4.830) 6.477 12.782 ( 0.932 1.541 -3.748) 4.158 14.143 ( 3.935 6.315 4.078) 8.485 14.273 ( -5.837 3.128 -6.445) 9.241 15.889 ( 6.994 -1.275 -0.972) 7.175 15.967 ( -2.565 -3.187 1.495) 4.355 ======================= Grid point 282 (144/148) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -1.829 -0.392 -0.144) 1.876 0.734 ( 1.829 -0.392 0.144) 1.876 1.058 ( -0.928 2.813 -1.760) 3.445 1.058 ( 0.928 2.813 1.760) 3.445 1.262 ( -1.301 -0.221 -2.599) 2.915 1.262 ( 1.301 -0.221 2.599) 2.915 1.581 ( 1.010 0.983 -2.873) 3.200 1.581 ( -1.010 0.983 2.873) 3.200 1.750 ( -0.802 -0.728 -1.907) 2.193 1.750 ( 0.802 -0.728 1.907) 2.193 2.070 ( -0.858 -0.529 -0.714) 1.235 2.070 ( 0.858 -0.529 0.714) 1.235 2.146 ( -0.657 0.762 -4.284) 4.401 2.146 ( 0.657 0.762 4.284) 4.401 2.244 ( -1.274 -3.263 -3.386) 4.872 2.244 ( 1.274 -3.263 3.386) 4.872 3.260 ( -5.217 9.470 -5.459) 12.112 3.260 ( 5.217 9.470 5.459) 12.112 3.515 ( -2.829 -4.930 -1.874) 5.985 3.515 ( 2.829 -4.930 1.874) 5.985 3.902 ( -2.080 -1.268 -1.920) 3.101 3.902 ( 2.080 -1.268 1.920) 3.101 4.131 ( -0.839 6.261 -1.098) 6.411 4.131 ( 0.839 6.261 1.098) 6.411 4.285 ( -3.294 -2.717 -1.132) 4.418 4.285 ( 3.294 -2.717 1.132) 4.418 4.914 ( -2.375 4.605 -2.785) 5.882 4.914 ( 2.375 4.605 2.785) 5.882 5.152 ( -0.775 -0.251 -4.584) 4.656 5.152 ( 0.775 -0.251 4.584) 4.656 8.398 ( 1.067 1.893 -2.749) 3.504 8.398 ( -1.067 1.893 2.749) 3.504 10.387 ( 0.740 -0.656 -0.875) 1.320 10.387 ( -0.740 -0.656 0.875) 1.320 11.048 ( 4.135 0.958 -4.964) 6.532 11.048 ( -4.135 0.958 4.964) 6.532 12.232 ( -2.240 -1.698 0.114) 2.813 12.232 ( 2.240 -1.698 -0.114) 2.813 14.320 ( -2.476 0.923 -0.743) 2.745 14.320 ( 2.476 0.923 0.743) 2.745 15.690 ( -0.490 0.129 -1.306) 1.401 15.690 ( 0.490 0.129 1.306) 1.401 ======================= Grid point 284 (145/148) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 6.049 2.597 0.298) 6.590 0.829 ( 8.187 -2.290 -0.781) 8.537 1.035 ( 0.157 2.984 -0.758) 3.083 1.083 ( 0.201 -1.170 0.355) 1.239 1.197 ( -2.954 4.042 -1.238) 5.157 1.274 ( -1.463 -2.716 0.188) 3.090 1.563 ( 0.575 1.408 -4.519) 4.768 1.579 ( -0.123 -0.399 0.047) 0.420 1.741 ( -0.510 1.658 1.176) 2.096 1.789 ( 0.548 -2.392 2.677) 3.632 2.034 ( -0.623 2.422 -2.479) 3.521 2.077 ( 1.362 0.478 -1.994) 2.461 2.134 ( -0.384 -1.436 -2.972) 3.323 2.188 ( -1.427 -3.941 -1.827) 4.572 2.243 ( 5.282 1.623 5.086) 7.510 2.308 ( 3.282 -4.067 4.586) 6.954 3.119 ( -5.543 13.168 -4.674) 15.032 3.355 ( -1.980 -7.922 -0.022) 8.165 3.453 ( 0.307 5.998 1.923) 6.306 3.568 ( 0.928 -3.976 1.837) 4.477 3.821 ( -5.064 5.017 -0.586) 7.152 3.920 ( -1.268 -2.507 0.222) 2.818 4.125 ( 2.153 1.728 -1.445) 3.116 4.176 ( 1.786 0.288 -2.046) 2.731 4.202 ( -2.812 5.641 -1.941) 6.595 4.323 ( 1.000 -4.118 -1.460) 4.482 4.799 ( -5.617 7.235 -6.545) 11.257 4.899 ( -3.528 -1.533 -4.008) 5.555 5.071 ( -3.793 4.765 -4.771) 7.737 5.148 ( -4.052 -2.015 0.986) 4.632 8.454 ( 6.329 3.135 1.341) 7.189 8.478 ( 7.584 1.038 1.309) 7.766 10.329 ( -5.931 0.241 -0.486) 5.956 10.343 ( -4.656 -1.011 -1.647) 5.041 10.825 ( -19.264 6.010 3.276) 20.444 10.962 ( -11.403 -7.172 -3.989) 14.049 12.295 ( 8.197 3.532 2.767) 9.344 12.386 ( 11.391 -4.860 0.759) 12.408 14.279 ( -0.607 5.313 -2.708) 5.994 14.371 ( 3.506 -3.521 -1.968) 5.344 15.686 ( 1.166 2.360 -0.635) 2.707 15.731 ( 2.879 -1.988 0.938) 3.622 ======================= Grid point 285 (146/148) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 7.642 3.940 -0.191) 8.600 0.948 ( 4.653 0.957 -4.363) 6.450 1.043 ( 0.016 -0.466 -0.133) 0.485 1.074 ( 0.733 -2.754 0.744) 2.945 1.192 ( 3.363 2.643 -0.343) 4.291 1.252 ( 2.506 -2.512 -2.009) 4.077 1.543 ( 0.471 2.299 -2.650) 3.540 1.590 ( 0.637 -2.269 1.787) 2.958 1.725 ( -2.527 1.926 0.477) 3.213 1.769 ( -3.802 -2.236 -0.760) 4.476 2.038 ( -1.196 4.937 0.173) 5.083 2.067 ( -0.273 0.233 -2.372) 2.399 2.088 ( 2.110 0.693 -3.740) 4.350 2.184 ( 0.996 -6.276 1.306) 6.488 2.403 ( 8.025 0.486 4.624) 9.275 2.433 ( 6.269 -2.325 4.662) 8.151 2.994 ( -4.564 12.651 -5.047) 14.365 3.234 ( -7.581 -9.720 -3.046) 12.698 3.477 ( -2.615 4.131 1.556) 5.131 3.557 ( -4.799 -3.786 1.608) 6.321 3.778 ( 1.245 7.937 2.572) 8.436 3.876 ( -1.917 -0.974 -2.431) 3.246 4.095 ( -3.526 4.090 -2.271) 5.858 4.165 ( 3.074 -2.977 -3.038) 5.248 4.224 ( 2.664 3.757 -3.092) 5.547 4.293 ( -1.652 -2.746 -4.818) 5.787 4.657 ( -4.259 6.288 -5.312) 9.268 4.765 ( -5.770 -3.491 -6.211) 9.168 4.942 ( -6.976 6.447 -4.794) 10.640 5.028 ( -8.489 -1.862 -2.556) 9.059 8.627 ( 10.955 4.477 2.900) 12.185 8.668 ( 12.415 0.893 1.233) 12.508 10.177 ( -10.019 1.619 -2.018) 10.348 10.205 ( -9.250 -1.021 -1.595) 9.442 10.499 ( -19.355 5.676 3.525) 20.475 10.674 ( -15.937 -11.264 -4.048) 19.931 12.490 ( 9.893 4.634 3.292) 11.409 12.585 ( 9.711 -4.260 0.949) 10.647 14.256 ( 0.262 7.888 -2.768) 8.364 14.398 ( 1.706 -5.789 -3.649) 7.052 15.724 ( 3.688 3.761 -0.447) 5.286 15.801 ( 4.061 -3.623 0.871) 5.512 ======================= Grid point 286 (147/148) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -4.193 1.986 -3.459) 5.788 0.937 ( -3.952 -2.288 -2.935) 5.429 1.092 ( 5.814 3.805 -0.108) 6.949 1.160 ( 7.471 -1.953 0.180) 7.724 1.290 ( 8.206 2.611 -2.063) 8.855 1.349 ( 7.368 -2.846 -2.925) 8.423 1.533 ( -1.869 4.645 1.482) 5.222 1.617 ( -1.718 -0.758 3.235) 3.741 1.662 ( -2.001 -3.639 -2.858) 5.041 1.678 ( -4.831 -2.065 -0.356) 5.266 1.985 ( -0.605 4.825 0.550) 4.894 2.079 ( 2.046 -3.627 -1.257) 4.350 2.147 ( 3.959 4.366 1.326) 6.041 2.223 ( 1.753 -3.105 0.974) 3.697 2.565 ( 5.826 0.509 3.184) 6.658 2.575 ( 5.439 -0.599 3.135) 6.307 2.883 ( -3.000 9.524 -5.000) 11.167 3.067 ( -8.149 -7.423 -3.788) 11.656 3.388 ( -6.546 3.223 0.810) 7.341 3.456 ( -6.623 -3.265 0.236) 7.388 3.836 ( 1.216 3.468 -0.765) 3.754 3.876 ( 3.480 -0.710 3.060) 4.689 4.038 ( -1.223 8.112 -1.168) 8.286 4.173 ( 1.614 -0.509 -6.305) 6.528 4.198 ( -2.076 0.482 -7.374) 7.676 4.237 ( 0.633 -4.174 -2.318) 4.817 4.584 ( -1.191 4.001 -1.836) 4.561 4.644 ( -3.643 -1.186 -2.505) 4.578 4.763 ( -8.517 5.559 -4.445) 11.100 4.836 ( -9.699 -1.398 -3.973) 10.574 8.861 ( 11.789 5.791 4.430) 13.862 8.908 ( 13.669 1.855 -0.274) 13.797 9.965 ( -11.127 2.602 -2.828) 11.772 10.008 ( -11.406 -1.092 -1.239) 11.525 10.238 ( -12.893 2.148 4.093) 13.696 10.386 ( -12.509 -11.804 -4.318) 17.732 12.665 ( 7.018 3.530 3.014) 8.414 12.729 ( 5.996 -2.382 0.223) 6.456 14.246 ( 0.479 7.543 -1.312) 7.672 14.371 ( -1.351 -4.348 -3.886) 5.986 15.801 ( 5.018 2.942 -0.299) 5.825 15.873 ( 3.073 -3.919 0.698) 5.029 ======================= Grid point 287 (148/148) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -1.434 0.176 -1.083) 1.806 0.836 ( -3.486 -2.056 -2.151) 4.583 1.213 ( 6.625 4.572 1.021) 8.114 1.271 ( 3.170 -0.197 -0.092) 3.177 1.394 ( 4.109 0.060 -3.662) 5.504 1.404 ( 1.094 -0.600 -1.347) 1.836 1.496 ( -2.029 4.667 3.472) 6.160 1.544 ( -3.478 1.119 -4.030) 5.440 1.619 ( -0.611 -3.215 0.712) 3.350 1.643 ( -2.583 -4.861 1.418) 5.684 2.059 ( 5.706 2.813 2.547) 6.852 2.120 ( 0.981 -2.892 0.515) 3.096 2.212 ( 1.941 3.921 1.798) 4.730 2.242 ( -0.022 1.225 -0.836) 1.483 2.612 ( 0.148 1.482 -1.121) 1.864 2.632 ( -0.887 0.017 0.165) 0.903 2.860 ( 2.637 3.158 -0.663) 4.168 2.923 ( -4.796 -2.655 -1.436) 5.667 3.317 ( -1.680 0.472 1.152) 2.091 3.351 ( -4.257 -2.704 -0.958) 5.133 3.870 ( 2.553 4.393 0.775) 5.140 3.916 ( -1.442 1.086 0.397) 1.849 4.046 ( 1.987 2.061 0.833) 2.981 4.108 ( -2.482 -1.593 -4.950) 5.762 4.171 ( 3.318 2.564 -1.601) 4.488 4.227 ( -0.904 -3.100 -2.168) 3.889 4.571 ( 0.142 2.640 -0.004) 2.644 4.590 ( -2.239 0.427 0.190) 2.287 4.624 ( -2.732 3.954 -1.428) 5.014 4.662 ( -5.818 -0.200 -2.997) 6.548 9.072 ( 6.246 6.659 5.622) 10.722 9.099 ( 7.753 4.556 -3.510) 9.653 9.790 ( -5.105 1.315 -1.262) 5.421 9.818 ( -7.729 -0.906 -0.930) 7.838 10.126 ( -3.376 -3.508 4.508) 6.635 10.186 ( -5.883 -9.014 -4.540) 11.682 12.774 ( 2.876 1.768 2.140) 3.997 12.795 ( 1.761 -0.245 -0.904) 1.994 14.258 ( 1.368 4.403 0.830) 4.685 14.307 ( -2.381 -0.208 -2.839) 3.711 15.878 ( 3.453 0.351 -0.269) 3.481 15.907 ( -0.016 -2.387 0.444) 2.428 =================== 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 3/21168 10.0 71.848 58.718 44.569 0.000 1.556 0.000 3/21168 20.0 19.680 17.532 11.114 0.000 0.972 0.000 3/21168 30.0 10.147 9.291 5.777 0.000 0.616 0.000 3/21168 40.0 6.617 6.175 3.817 0.000 0.458 0.000 3/21168 50.0 4.875 4.616 2.845 0.000 0.372 0.000 3/21168 60.0 3.864 3.696 2.277 0.000 0.317 0.000 3/21168 70.0 3.210 3.092 1.907 0.000 0.277 0.000 3/21168 80.0 2.753 2.664 1.647 0.000 0.246 0.000 3/21168 90.0 2.417 2.344 1.452 0.000 0.221 0.000 3/21168 100.0 2.159 2.095 1.302 0.000 0.201 0.000 3/21168 110.0 1.954 1.896 1.181 0.000 0.184 0.000 3/21168 120.0 1.787 1.733 1.082 0.000 0.169 0.000 3/21168 130.0 1.648 1.596 0.999 0.000 0.157 0.000 3/21168 140.0 1.530 1.480 0.928 0.000 0.146 0.000 3/21168 150.0 1.430 1.381 0.867 0.000 0.137 0.000 3/21168 160.0 1.342 1.294 0.814 0.000 0.128 0.000 3/21168 170.0 1.265 1.218 0.767 0.000 0.121 0.000 3/21168 180.0 1.196 1.150 0.726 0.000 0.115 0.000 3/21168 190.0 1.135 1.090 0.689 0.000 0.109 0.000 3/21168 200.0 1.081 1.036 0.655 0.000 0.104 0.000 3/21168 210.0 1.031 0.987 0.625 0.000 0.099 0.000 3/21168 220.0 0.986 0.943 0.597 0.000 0.095 0.000 3/21168 230.0 0.944 0.902 0.572 0.000 0.091 0.000 3/21168 240.0 0.906 0.865 0.549 0.000 0.087 0.000 3/21168 250.0 0.872 0.831 0.528 0.000 0.084 0.000 3/21168 260.0 0.839 0.799 0.508 0.000 0.081 0.000 3/21168 270.0 0.809 0.770 0.490 0.000 0.078 0.000 3/21168 280.0 0.781 0.743 0.473 0.000 0.075 0.000 3/21168 290.0 0.755 0.717 0.457 0.000 0.073 0.000 3/21168 300.0 0.731 0.694 0.442 0.000 0.070 0.000 3/21168 310.0 0.708 0.672 0.428 0.000 0.068 0.000 3/21168 320.0 0.687 0.651 0.415 0.000 0.066 0.000 3/21168 330.0 0.666 0.631 0.403 0.000 0.064 0.000 3/21168 340.0 0.647 0.613 0.391 0.000 0.062 0.000 3/21168 350.0 0.629 0.596 0.380 0.000 0.061 0.000 3/21168 360.0 0.612 0.579 0.370 0.000 0.059 0.000 3/21168 370.0 0.596 0.564 0.360 0.000 0.057 0.000 3/21168 380.0 0.581 0.549 0.351 0.000 0.056 0.000 3/21168 390.0 0.567 0.535 0.342 0.000 0.055 0.000 3/21168 400.0 0.553 0.522 0.334 0.000 0.053 0.000 3/21168 410.0 0.540 0.509 0.326 0.000 0.052 0.000 3/21168 420.0 0.527 0.497 0.318 0.000 0.051 0.000 3/21168 430.0 0.515 0.486 0.311 0.000 0.050 0.000 3/21168 440.0 0.504 0.475 0.304 0.000 0.049 0.000 3/21168 450.0 0.493 0.464 0.297 0.000 0.048 0.000 3/21168 460.0 0.482 0.454 0.291 0.000 0.047 0.000 3/21168 470.0 0.472 0.445 0.285 0.000 0.046 0.000 3/21168 480.0 0.462 0.436 0.279 0.000 0.045 0.000 3/21168 490.0 0.453 0.427 0.273 0.000 0.044 0.000 3/21168 500.0 0.444 0.418 0.268 0.000 0.043 0.000 3/21168 510.0 0.436 0.410 0.263 0.000 0.042 0.000 3/21168 520.0 0.427 0.402 0.258 0.000 0.041 0.000 3/21168 530.0 0.420 0.395 0.253 0.000 0.041 0.000 3/21168 540.0 0.412 0.388 0.248 0.000 0.040 0.000 3/21168 550.0 0.404 0.381 0.244 0.000 0.039 0.000 3/21168 560.0 0.397 0.374 0.239 0.000 0.038 0.000 3/21168 570.0 0.391 0.367 0.235 0.000 0.038 0.000 3/21168 580.0 0.384 0.361 0.231 0.000 0.037 0.000 3/21168 590.0 0.377 0.355 0.227 0.000 0.037 0.000 3/21168 600.0 0.371 0.349 0.224 0.000 0.036 0.000 3/21168 610.0 0.365 0.343 0.220 0.000 0.035 0.000 3/21168 620.0 0.359 0.338 0.217 0.000 0.035 0.000 3/21168 630.0 0.354 0.333 0.213 0.000 0.034 0.000 3/21168 640.0 0.348 0.327 0.210 0.000 0.034 0.000 3/21168 650.0 0.343 0.322 0.207 0.000 0.033 0.000 3/21168 660.0 0.338 0.318 0.204 0.000 0.033 0.000 3/21168 670.0 0.333 0.313 0.201 0.000 0.032 0.000 3/21168 680.0 0.328 0.308 0.198 0.000 0.032 0.000 3/21168 690.0 0.323 0.304 0.195 0.000 0.031 0.000 3/21168 700.0 0.319 0.299 0.192 0.000 0.031 0.000 3/21168 710.0 0.314 0.295 0.189 0.000 0.030 0.000 3/21168 720.0 0.310 0.291 0.187 0.000 0.030 0.000 3/21168 730.0 0.306 0.287 0.184 0.000 0.030 0.000 3/21168 740.0 0.302 0.283 0.182 0.000 0.029 0.000 3/21168 750.0 0.298 0.280 0.179 0.000 0.029 0.000 3/21168 760.0 0.294 0.276 0.177 0.000 0.028 0.000 3/21168 770.0 0.290 0.272 0.175 0.000 0.028 0.000 3/21168 780.0 0.286 0.269 0.172 0.000 0.028 0.000 3/21168 790.0 0.283 0.265 0.170 0.000 0.027 0.000 3/21168 800.0 0.279 0.262 0.168 0.000 0.027 0.000 3/21168 810.0 0.276 0.259 0.166 0.000 0.027 0.000 3/21168 820.0 0.273 0.256 0.164 0.000 0.026 0.000 3/21168 830.0 0.269 0.253 0.162 0.000 0.026 0.000 3/21168 840.0 0.266 0.250 0.160 0.000 0.026 0.000 3/21168 850.0 0.263 0.247 0.158 0.000 0.025 0.000 3/21168 860.0 0.260 0.244 0.157 0.000 0.025 0.000 3/21168 870.0 0.257 0.241 0.155 0.000 0.025 0.000 3/21168 880.0 0.254 0.238 0.153 0.000 0.025 0.000 3/21168 890.0 0.251 0.236 0.151 0.000 0.024 0.000 3/21168 900.0 0.248 0.233 0.150 0.000 0.024 0.000 3/21168 910.0 0.246 0.231 0.148 0.000 0.024 0.000 3/21168 920.0 0.243 0.228 0.146 0.000 0.024 0.000 3/21168 930.0 0.241 0.226 0.145 0.000 0.023 0.000 3/21168 940.0 0.238 0.223 0.143 0.000 0.023 0.000 3/21168 950.0 0.235 0.221 0.142 0.000 0.023 0.000 3/21168 960.0 0.233 0.219 0.140 0.000 0.023 0.000 3/21168 970.0 0.231 0.216 0.139 0.000 0.022 0.000 3/21168 980.0 0.228 0.214 0.137 0.000 0.022 0.000 3/21168 990.0 0.226 0.212 0.136 0.000 0.022 0.000 3/21168 1000.0 0.224 0.210 0.135 0.000 0.022 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m978.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:17:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|