----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:55:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.771754290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.382722330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.044915900000002 Atomic positions (fractional): *1 K 0.17534847784466 0.25000000000000 0.83202009424561 39.098 2 K 0.67534847784466 0.25000000000000 0.66797990575439 39.098 3 K 0.82465152215534 0.75000000000000 0.16797990575439 39.098 4 K 0.32465152215534 0.75000000000000 0.33202009424561 39.098 *5 Ga 0.57164836438306 0.25000000000000 0.18951025451843 69.723 6 Ga 0.07164836438306 0.25000000000000 0.31048974548157 69.723 7 Ga 0.42835163561694 0.75000000000000 0.81048974548157 69.723 8 Ga 0.92835163561694 0.75000000000000 0.68951025451843 69.723 *9 H 0.41114634882517 0.25000000000000 0.08692005865141 1.008 10 H 0.91114634882517 0.25000000000000 0.41307994134859 1.008 11 H 0.58885365117483 0.75000000000000 0.91307994134859 1.008 12 H 0.08885365117483 0.75000000000000 0.58692005865141 1.008 *13 H 0.71190281121111 0.25000000000000 0.04681092526209 1.008 14 H 0.21190281121111 0.25000000000000 0.45318907473791 1.008 15 H 0.28809718878889 0.75000000000000 0.95318907473791 1.008 16 H 0.78809718878889 0.75000000000000 0.54681092526209 1.008 *17 H 0.41324613613628 0.98820878434534 0.67641731808459 1.008 18 H 0.91324613613628 0.51179121565466 0.82358268191541 1.008 19 H 0.58675386386372 0.48820878434534 0.32358268191541 1.008 20 H 0.08675386386372 0.01179121565465 0.17641731808459 1.008 21 H 0.58675386386372 0.01179121565465 0.32358268191541 1.008 22 H 0.08675386386372 0.48820878434534 0.17641731808459 1.008 23 H 0.41324613613628 0.51179121565466 0.67641731808459 1.008 24 H 0.91324613613628 0.98820878434534 0.82358268191541 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.771754290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.382722330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.044915900000002 Atomic positions (fractional): *1 K 0.17534847784466 0.25000000000000 0.83202009424561 39.098 > 1 2 K 0.67534847784466 0.25000000000000 0.66797990575439 39.098 > 2 3 K 0.82465152215534 0.75000000000000 0.16797990575439 39.098 > 3 4 K 0.32465152215534 0.75000000000000 0.33202009424561 39.098 > 4 *5 Ga 0.57164836438306 0.25000000000000 0.18951025451843 69.723 > 5 6 Ga 0.07164836438306 0.25000000000000 0.31048974548157 69.723 > 6 7 Ga 0.42835163561694 0.75000000000000 0.81048974548157 69.723 > 7 8 Ga 0.92835163561694 0.75000000000000 0.68951025451843 69.723 > 8 *9 H 0.41114634882517 0.25000000000000 0.08692005865141 1.008 > 9 10 H 0.91114634882517 0.25000000000000 0.41307994134859 1.008 > 10 11 H 0.58885365117483 0.75000000000000 0.91307994134859 1.008 > 11 12 H 0.08885365117483 0.75000000000000 0.58692005865141 1.008 > 12 *13 H 0.71190281121111 0.25000000000000 0.04681092526209 1.008 > 13 14 H 0.21190281121111 0.25000000000000 0.45318907473791 1.008 > 14 15 H 0.28809718878889 0.75000000000000 0.95318907473791 1.008 > 15 16 H 0.78809718878889 0.75000000000000 0.54681092526209 1.008 > 16 *17 H 0.41324613613628 0.98820878434534 0.67641731808459 1.008 > 17 18 H 0.91324613613628 0.51179121565466 0.82358268191541 1.008 > 18 19 H 0.58675386386372 0.48820878434534 0.32358268191541 1.008 > 19 20 H 0.08675386386372 0.01179121565465 0.17641731808459 1.008 > 20 21 H 0.58675386386372 0.01179121565465 0.32358268191541 1.008 > 21 22 H 0.08675386386372 0.48820878434534 0.17641731808459 1.008 > 22 23 H 0.41324613613628 0.51179121565466 0.67641731808459 1.008 > 23 24 H 0.91324613613628 0.98820878434534 0.82358268191541 1.008 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.771754290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.765444660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.089831800000004 Atomic positions (fractional): *1 K 0.17534847784466 0.12500000000000 0.41601004712280 39.098 > 1 2 K 0.17534847784466 0.62500000000000 0.41601004712280 39.098 > 1 3 K 0.17534847784466 0.12500000000000 0.91601004712280 39.098 > 1 4 K 0.17534847784466 0.62500000000000 0.91601004712280 39.098 > 1 5 K 0.67534847784466 0.12500000000000 0.33398995287720 39.098 > 2 6 K 0.67534847784466 0.62500000000000 0.33398995287720 39.098 > 2 7 K 0.67534847784466 0.12500000000000 0.83398995287720 39.098 > 2 8 K 0.67534847784466 0.62500000000000 0.83398995287720 39.098 > 2 9 K 0.82465152215534 0.37500000000000 0.08398995287720 39.098 > 3 10 K 0.82465152215534 0.87500000000000 0.08398995287720 39.098 > 3 11 K 0.82465152215534 0.37500000000000 0.58398995287720 39.098 > 3 12 K 0.82465152215534 0.87500000000000 0.58398995287720 39.098 > 3 13 K 0.32465152215534 0.37500000000000 0.16601004712281 39.098 > 4 14 K 0.32465152215534 0.87500000000000 0.16601004712281 39.098 > 4 15 K 0.32465152215534 0.37500000000000 0.66601004712280 39.098 > 4 16 K 0.32465152215534 0.87500000000000 0.66601004712280 39.098 > 4 *17 Ga 0.57164836438306 0.12500000000000 0.09475512725921 69.723 > 5 18 Ga 0.57164836438306 0.62500000000000 0.09475512725921 69.723 > 5 19 Ga 0.57164836438306 0.12500000000000 0.59475512725921 69.723 > 5 20 Ga 0.57164836438306 0.62500000000000 0.59475512725921 69.723 > 5 21 Ga 0.07164836438306 0.12500000000000 0.15524487274079 69.723 > 6 22 Ga 0.07164836438306 0.62500000000000 0.15524487274079 69.723 > 6 23 Ga 0.07164836438306 0.12500000000000 0.65524487274079 69.723 > 6 24 Ga 0.07164836438306 0.62500000000000 0.65524487274079 69.723 > 6 25 Ga 0.42835163561694 0.37500000000000 0.40524487274079 69.723 > 7 26 Ga 0.42835163561694 0.87500000000000 0.40524487274079 69.723 > 7 27 Ga 0.42835163561694 0.37500000000000 0.90524487274079 69.723 > 7 28 Ga 0.42835163561694 0.87500000000000 0.90524487274079 69.723 > 7 29 Ga 0.92835163561694 0.37500000000000 0.34475512725921 69.723 > 8 30 Ga 0.92835163561694 0.87500000000000 0.34475512725921 69.723 > 8 31 Ga 0.92835163561694 0.37500000000000 0.84475512725921 69.723 > 8 32 Ga 0.92835163561694 0.87500000000000 0.84475512725921 69.723 > 8 *33 H 0.41114634882517 0.12500000000000 0.04346002932570 1.008 > 9 34 H 0.41114634882517 0.62500000000000 0.04346002932570 1.008 > 9 35 H 0.41114634882517 0.12500000000000 0.54346002932570 1.008 > 9 36 H 0.41114634882517 0.62500000000000 0.54346002932570 1.008 > 9 37 H 0.91114634882517 0.12500000000000 0.20653997067430 1.008 > 10 38 H 0.91114634882517 0.62500000000000 0.20653997067430 1.008 > 10 39 H 0.91114634882517 0.12500000000000 0.70653997067430 1.008 > 10 40 H 0.91114634882517 0.62500000000000 0.70653997067430 1.008 > 10 41 H 0.58885365117483 0.37500000000000 0.45653997067430 1.008 > 11 42 H 0.58885365117483 0.87500000000000 0.45653997067430 1.008 > 11 43 H 0.58885365117483 0.37500000000000 0.95653997067430 1.008 > 11 44 H 0.58885365117483 0.87500000000000 0.95653997067430 1.008 > 11 45 H 0.08885365117483 0.37500000000000 0.29346002932570 1.008 > 12 46 H 0.08885365117483 0.87500000000000 0.29346002932570 1.008 > 12 47 H 0.08885365117483 0.37500000000000 0.79346002932570 1.008 > 12 48 H 0.08885365117483 0.87500000000000 0.79346002932570 1.008 > 12 *49 H 0.71190281121111 0.12500000000000 0.02340546263104 1.008 > 13 50 H 0.71190281121111 0.62500000000000 0.02340546263104 1.008 > 13 51 H 0.71190281121111 0.12500000000000 0.52340546263104 1.008 > 13 52 H 0.71190281121111 0.62500000000000 0.52340546263104 1.008 > 13 53 H 0.21190281121111 0.12500000000000 0.22659453736896 1.008 > 14 54 H 0.21190281121111 0.62500000000000 0.22659453736896 1.008 > 14 55 H 0.21190281121111 0.12500000000000 0.72659453736896 1.008 > 14 56 H 0.21190281121111 0.62500000000000 0.72659453736896 1.008 > 14 57 H 0.28809718878889 0.37500000000000 0.47659453736896 1.008 > 15 58 H 0.28809718878889 0.87500000000000 0.47659453736896 1.008 > 15 59 H 0.28809718878889 0.37500000000000 0.97659453736896 1.008 > 15 60 H 0.28809718878889 0.87500000000000 0.97659453736896 1.008 > 15 61 H 0.78809718878889 0.37500000000000 0.27340546263104 1.008 > 16 62 H 0.78809718878889 0.87500000000000 0.27340546263104 1.008 > 16 63 H 0.78809718878889 0.37500000000000 0.77340546263104 1.008 > 16 64 H 0.78809718878889 0.87500000000000 0.77340546263104 1.008 > 16 *65 H 0.41324613613628 0.49410439217267 0.33820865904229 1.008 > 17 66 H 0.41324613613628 0.99410439217267 0.33820865904229 1.008 > 17 67 H 0.41324613613628 0.49410439217267 0.83820865904229 1.008 > 17 68 H 0.41324613613628 0.99410439217267 0.83820865904229 1.008 > 17 69 H 0.91324613613628 0.25589560782733 0.41179134095771 1.008 > 18 70 H 0.91324613613628 0.75589560782733 0.41179134095771 1.008 > 18 71 H 0.91324613613628 0.25589560782733 0.91179134095771 1.008 > 18 72 H 0.91324613613628 0.75589560782733 0.91179134095771 1.008 > 18 73 H 0.58675386386372 0.24410439217267 0.16179134095771 1.008 > 19 74 H 0.58675386386372 0.74410439217267 0.16179134095771 1.008 > 19 75 H 0.58675386386372 0.24410439217267 0.66179134095770 1.008 > 19 76 H 0.58675386386372 0.74410439217267 0.66179134095770 1.008 > 19 77 H 0.08675386386372 0.00589560782733 0.08820865904229 1.008 > 20 78 H 0.08675386386372 0.50589560782733 0.08820865904229 1.008 > 20 79 H 0.08675386386372 0.00589560782733 0.58820865904230 1.008 > 20 80 H 0.08675386386372 0.50589560782733 0.58820865904230 1.008 > 20 81 H 0.58675386386372 0.00589560782733 0.16179134095771 1.008 > 21 82 H 0.58675386386372 0.50589560782733 0.16179134095771 1.008 > 21 83 H 0.58675386386372 0.00589560782733 0.66179134095770 1.008 > 21 84 H 0.58675386386372 0.50589560782733 0.66179134095770 1.008 > 21 85 H 0.08675386386372 0.24410439217267 0.08820865904229 1.008 > 22 86 H 0.08675386386372 0.74410439217267 0.08820865904229 1.008 > 22 87 H 0.08675386386372 0.24410439217267 0.58820865904230 1.008 > 22 88 H 0.08675386386372 0.74410439217267 0.58820865904230 1.008 > 22 89 H 0.41324613613628 0.25589560782733 0.33820865904229 1.008 > 23 90 H 0.41324613613628 0.75589560782733 0.33820865904229 1.008 > 23 91 H 0.41324613613628 0.25589560782733 0.83820865904229 1.008 > 23 92 H 0.41324613613628 0.75589560782733 0.83820865904229 1.008 > 23 93 H 0.91324613613628 0.49410439217267 0.41179134095771 1.008 > 24 94 H 0.91324613613628 0.99410439217267 0.41179134095771 1.008 > 24 95 H 0.91324613613628 0.49410439217267 0.91179134095771 1.008 > 24 96 H 0.91324613613628 0.99410439217267 0.91179134095771 1.008 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0640994 0.0000000 0.0000000 0.0000000 3.1058045 0.0000000 0.0000000 0.0000000 3.0583836 -------------------------- Born effective charges -------------------------- 1 K 1.1404845 0.0000000 0.1186011 0.0000000 1.1585744 0.0000000 0.1053424 0.0000000 1.1445363 2 K 1.1404845 0.0000000 -0.1186011 0.0000000 1.1585744 0.0000000 -0.1053424 0.0000000 1.1445363 3 K 1.1404845 0.0000000 0.1186011 0.0000000 1.1585744 0.0000000 0.1053424 0.0000000 1.1445363 4 K 1.1404845 0.0000000 -0.1186011 0.0000000 1.1585744 0.0000000 -0.1053424 0.0000000 1.1445363 5 Ga 1.1595606 0.0000000 0.1130090 0.0000000 1.1916450 0.0000000 0.0311169 0.0000000 1.1446955 6 Ga 1.1595606 0.0000000 -0.1130090 0.0000000 1.1916450 0.0000000 -0.0311169 0.0000000 1.1446955 7 Ga 1.1595606 0.0000000 0.1130090 0.0000000 1.1916450 0.0000000 0.0311169 0.0000000 1.1446955 8 Ga 1.1595606 0.0000000 -0.1130090 0.0000000 1.1916450 0.0000000 -0.0311169 0.0000000 1.1446955 9 H -0.7531672 0.0000000 -0.1801740 0.0000000 -0.4547476 0.0000000 -0.1603951 0.0000000 -0.5105565 10 H -0.7531672 0.0000000 0.1801740 0.0000000 -0.4547476 0.0000000 0.1603951 0.0000000 -0.5105565 11 H -0.7531672 0.0000000 -0.1801740 0.0000000 -0.4547476 0.0000000 -0.1603951 0.0000000 -0.5105565 12 H -0.7531672 0.0000000 0.1801740 0.0000000 -0.4547476 0.0000000 0.1603951 0.0000000 -0.5105565 13 H -0.6365395 0.0000000 0.1296536 0.0000000 -0.4700871 0.0000000 0.1836878 0.0000000 -0.5938752 14 H -0.6365395 0.0000000 -0.1296536 0.0000000 -0.4700871 0.0000000 -0.1836878 0.0000000 -0.5938752 15 H -0.6365395 0.0000000 0.1296536 0.0000000 -0.4700871 0.0000000 0.1836878 0.0000000 -0.5938752 16 H -0.6365395 0.0000000 -0.1296536 0.0000000 -0.4700871 0.0000000 -0.1836878 0.0000000 -0.5938752 17 H -0.4551692 0.0260272 -0.0499774 0.0211210 -0.7126923 0.2015630 -0.0181222 0.1848289 -0.5924000 18 H -0.4551692 -0.0260272 0.0499774 -0.0211210 -0.7126923 0.2015630 0.0181222 0.1848289 -0.5924000 19 H -0.4551692 -0.0260272 -0.0499774 -0.0211210 -0.7126923 -0.2015630 -0.0181222 -0.1848289 -0.5924000 20 H -0.4551692 0.0260272 0.0499774 0.0211210 -0.7126923 -0.2015630 0.0181222 -0.1848289 -0.5924000 21 H -0.4551692 0.0260272 -0.0499774 0.0211210 -0.7126923 0.2015630 -0.0181222 0.1848289 -0.5924000 22 H -0.4551692 -0.0260272 0.0499774 -0.0211210 -0.7126923 0.2015630 0.0181222 0.1848289 -0.5924000 23 H -0.4551692 -0.0260272 -0.0499774 -0.0211210 -0.7126923 -0.2015630 -0.0181222 -0.1848289 -0.5924000 24 H -0.4551692 0.0260272 0.0499774 0.0211210 -0.7126923 -0.2015630 0.0181222 -0.1848289 -0.5924000 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1418 Number of blocks in projector: 1418 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1418, 1389), data: False |-- (206, 201), data: True |-- (206, 201), data: True |-- (206, 201), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.534 Solver_block: 200 / 400 - Time: 1.537 Solver_block: 300 / 400 - Time: 1.538 Solver_block: 400 / 400 - Time: 1.537 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.176 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1418 Number of blocks in projector: 1418 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1418, 1389), data: False |-- (206, 201), data: True |-- (206, 201), data: True |-- (206, 201), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), 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 21:55:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:55:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.771754290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.382722330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.044915900000002 Atomic positions (fractional): 1 K 0.17534847784466 0.25000000000000 0.83202009424561 39.098 2 K 0.67534847784466 0.25000000000000 0.66797990575439 39.098 3 K 0.82465152215534 0.75000000000000 0.16797990575439 39.098 4 K 0.32465152215534 0.75000000000000 0.33202009424561 39.098 5 Ga 0.57164836438306 0.25000000000000 0.18951025451843 69.723 6 Ga 0.07164836438306 0.25000000000000 0.31048974548157 69.723 7 Ga 0.42835163561694 0.75000000000000 0.81048974548157 69.723 8 Ga 0.92835163561694 0.75000000000000 0.68951025451843 69.723 9 H 0.41114634882517 0.25000000000000 0.08692005865141 1.008 10 H 0.91114634882517 0.25000000000000 0.41307994134859 1.008 11 H 0.58885365117483 0.75000000000000 0.91307994134859 1.008 12 H 0.08885365117483 0.75000000000000 0.58692005865141 1.008 13 H 0.71190281121111 0.25000000000000 0.04681092526209 1.008 14 H 0.21190281121111 0.25000000000000 0.45318907473791 1.008 15 H 0.28809718878889 0.75000000000000 0.95318907473791 1.008 16 H 0.78809718878889 0.75000000000000 0.54681092526209 1.008 17 H 0.41324613613628 0.98820878434534 0.67641731808459 1.008 18 H 0.91324613613628 0.51179121565466 0.82358268191541 1.008 19 H 0.58675386386372 0.48820878434534 0.32358268191541 1.008 20 H 0.08675386386372 0.01179121565465 0.17641731808459 1.008 21 H 0.58675386386372 0.01179121565465 0.32358268191541 1.008 22 H 0.08675386386372 0.48820878434534 0.17641731808459 1.008 23 H 0.41324613613628 0.51179121565466 0.67641731808459 1.008 24 H 0.91324613613628 0.98820878434534 0.82358268191541 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.771754290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.765444660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.089831800000004 Atomic positions (fractional): 1 K 0.17534847784466 0.12500000000000 0.41601004712280 39.098 > 1 2 K 0.17534847784466 0.62500000000000 0.41601004712280 39.098 > 1 3 K 0.17534847784466 0.12500000000000 0.91601004712280 39.098 > 1 4 K 0.17534847784466 0.62500000000000 0.91601004712280 39.098 > 1 5 K 0.67534847784466 0.12500000000000 0.33398995287720 39.098 > 5 6 K 0.67534847784466 0.62500000000000 0.33398995287720 39.098 > 5 7 K 0.67534847784466 0.12500000000000 0.83398995287720 39.098 > 5 8 K 0.67534847784466 0.62500000000000 0.83398995287720 39.098 > 5 9 K 0.82465152215534 0.37500000000000 0.08398995287720 39.098 > 9 10 K 0.82465152215534 0.87500000000000 0.08398995287720 39.098 > 9 11 K 0.82465152215534 0.37500000000000 0.58398995287720 39.098 > 9 12 K 0.82465152215534 0.87500000000000 0.58398995287720 39.098 > 9 13 K 0.32465152215534 0.37500000000000 0.16601004712281 39.098 > 13 14 K 0.32465152215534 0.87500000000000 0.16601004712281 39.098 > 13 15 K 0.32465152215534 0.37500000000000 0.66601004712280 39.098 > 13 16 K 0.32465152215534 0.87500000000000 0.66601004712280 39.098 > 13 17 Ga 0.57164836438306 0.12500000000000 0.09475512725921 69.723 > 17 18 Ga 0.57164836438306 0.62500000000000 0.09475512725921 69.723 > 17 19 Ga 0.57164836438306 0.12500000000000 0.59475512725921 69.723 > 17 20 Ga 0.57164836438306 0.62500000000000 0.59475512725921 69.723 > 17 21 Ga 0.07164836438306 0.12500000000000 0.15524487274079 69.723 > 21 22 Ga 0.07164836438306 0.62500000000000 0.15524487274079 69.723 > 21 23 Ga 0.07164836438306 0.12500000000000 0.65524487274079 69.723 > 21 24 Ga 0.07164836438306 0.62500000000000 0.65524487274079 69.723 > 21 25 Ga 0.42835163561694 0.37500000000000 0.40524487274079 69.723 > 25 26 Ga 0.42835163561694 0.87500000000000 0.40524487274079 69.723 > 25 27 Ga 0.42835163561694 0.37500000000000 0.90524487274079 69.723 > 25 28 Ga 0.42835163561694 0.87500000000000 0.90524487274079 69.723 > 25 29 Ga 0.92835163561694 0.37500000000000 0.34475512725921 69.723 > 29 30 Ga 0.92835163561694 0.87500000000000 0.34475512725921 69.723 > 29 31 Ga 0.92835163561694 0.37500000000000 0.84475512725921 69.723 > 29 32 Ga 0.92835163561694 0.87500000000000 0.84475512725921 69.723 > 29 33 H 0.41114634882517 0.12500000000000 0.04346002932570 1.008 > 33 34 H 0.41114634882517 0.62500000000000 0.04346002932570 1.008 > 33 35 H 0.41114634882517 0.12500000000000 0.54346002932570 1.008 > 33 36 H 0.41114634882517 0.62500000000000 0.54346002932570 1.008 > 33 37 H 0.91114634882517 0.12500000000000 0.20653997067430 1.008 > 37 38 H 0.91114634882517 0.62500000000000 0.20653997067430 1.008 > 37 39 H 0.91114634882517 0.12500000000000 0.70653997067430 1.008 > 37 40 H 0.91114634882517 0.62500000000000 0.70653997067430 1.008 > 37 41 H 0.58885365117483 0.37500000000000 0.45653997067430 1.008 > 41 42 H 0.58885365117483 0.87500000000000 0.45653997067430 1.008 > 41 43 H 0.58885365117483 0.37500000000000 0.95653997067430 1.008 > 41 44 H 0.58885365117483 0.87500000000000 0.95653997067430 1.008 > 41 45 H 0.08885365117483 0.37500000000000 0.29346002932570 1.008 > 45 46 H 0.08885365117483 0.87500000000000 0.29346002932570 1.008 > 45 47 H 0.08885365117483 0.37500000000000 0.79346002932570 1.008 > 45 48 H 0.08885365117483 0.87500000000000 0.79346002932570 1.008 > 45 49 H 0.71190281121111 0.12500000000000 0.02340546263104 1.008 > 49 50 H 0.71190281121111 0.62500000000000 0.02340546263104 1.008 > 49 51 H 0.71190281121111 0.12500000000000 0.52340546263104 1.008 > 49 52 H 0.71190281121111 0.62500000000000 0.52340546263104 1.008 > 49 53 H 0.21190281121111 0.12500000000000 0.22659453736896 1.008 > 53 54 H 0.21190281121111 0.62500000000000 0.22659453736896 1.008 > 53 55 H 0.21190281121111 0.12500000000000 0.72659453736896 1.008 > 53 56 H 0.21190281121111 0.62500000000000 0.72659453736896 1.008 > 53 57 H 0.28809718878889 0.37500000000000 0.47659453736896 1.008 > 57 58 H 0.28809718878889 0.87500000000000 0.47659453736896 1.008 > 57 59 H 0.28809718878889 0.37500000000000 0.97659453736896 1.008 > 57 60 H 0.28809718878889 0.87500000000000 0.97659453736896 1.008 > 57 61 H 0.78809718878889 0.37500000000000 0.27340546263104 1.008 > 61 62 H 0.78809718878889 0.87500000000000 0.27340546263104 1.008 > 61 63 H 0.78809718878889 0.37500000000000 0.77340546263104 1.008 > 61 64 H 0.78809718878889 0.87500000000000 0.77340546263104 1.008 > 61 65 H 0.41324613613628 0.49410439217267 0.33820865904229 1.008 > 65 66 H 0.41324613613628 0.99410439217267 0.33820865904229 1.008 > 65 67 H 0.41324613613628 0.49410439217267 0.83820865904229 1.008 > 65 68 H 0.41324613613628 0.99410439217267 0.83820865904229 1.008 > 65 69 H 0.91324613613628 0.25589560782733 0.41179134095771 1.008 > 69 70 H 0.91324613613628 0.75589560782733 0.41179134095771 1.008 > 69 71 H 0.91324613613628 0.25589560782733 0.91179134095771 1.008 > 69 72 H 0.91324613613628 0.75589560782733 0.91179134095771 1.008 > 69 73 H 0.58675386386372 0.24410439217267 0.16179134095771 1.008 > 73 74 H 0.58675386386372 0.74410439217267 0.16179134095771 1.008 > 73 75 H 0.58675386386372 0.24410439217267 0.66179134095770 1.008 > 73 76 H 0.58675386386372 0.74410439217267 0.66179134095770 1.008 > 73 77 H 0.08675386386372 0.00589560782733 0.08820865904229 1.008 > 77 78 H 0.08675386386372 0.50589560782733 0.08820865904229 1.008 > 77 79 H 0.08675386386372 0.00589560782733 0.58820865904230 1.008 > 77 80 H 0.08675386386372 0.50589560782733 0.58820865904230 1.008 > 77 81 H 0.58675386386372 0.00589560782733 0.16179134095771 1.008 > 81 82 H 0.58675386386372 0.50589560782733 0.16179134095771 1.008 > 81 83 H 0.58675386386372 0.00589560782733 0.66179134095770 1.008 > 81 84 H 0.58675386386372 0.50589560782733 0.66179134095770 1.008 > 81 85 H 0.08675386386372 0.24410439217267 0.08820865904229 1.008 > 85 86 H 0.08675386386372 0.74410439217267 0.08820865904229 1.008 > 85 87 H 0.08675386386372 0.24410439217267 0.58820865904230 1.008 > 85 88 H 0.08675386386372 0.74410439217267 0.58820865904230 1.008 > 85 89 H 0.41324613613628 0.25589560782733 0.33820865904229 1.008 > 89 90 H 0.41324613613628 0.75589560782733 0.33820865904229 1.008 > 89 91 H 0.41324613613628 0.25589560782733 0.83820865904229 1.008 > 89 92 H 0.41324613613628 0.75589560782733 0.83820865904229 1.008 > 89 93 H 0.91324613613628 0.49410439217267 0.41179134095771 1.008 > 93 94 H 0.91324613613628 0.99410439217267 0.41179134095771 1.008 > 93 95 H 0.91324613613628 0.49410439217267 0.91179134095771 1.008 > 93 96 H 0.91324613613628 0.99410439217267 0.91179134095771 1.008 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0640994 0.0000000 0.0000000 0.0000000 3.1058045 0.0000000 0.0000000 0.0000000 3.0583836 -------------------------- Born effective charges -------------------------- 1 K 1.1404845 0.0000000 0.1186011 0.0000000 1.1585744 0.0000000 0.1053424 0.0000000 1.1445363 2 K 1.1404845 0.0000000 -0.1186011 0.0000000 1.1585744 0.0000000 -0.1053424 0.0000000 1.1445363 3 K 1.1404845 0.0000000 0.1186011 0.0000000 1.1585744 0.0000000 0.1053424 0.0000000 1.1445363 4 K 1.1404845 0.0000000 -0.1186011 0.0000000 1.1585744 0.0000000 -0.1053424 0.0000000 1.1445363 5 Ga 1.1595606 0.0000000 0.1130090 0.0000000 1.1916450 0.0000000 0.0311169 0.0000000 1.1446955 6 Ga 1.1595606 0.0000000 -0.1130090 0.0000000 1.1916450 0.0000000 -0.0311169 0.0000000 1.1446955 7 Ga 1.1595606 0.0000000 0.1130090 0.0000000 1.1916450 0.0000000 0.0311169 0.0000000 1.1446955 8 Ga 1.1595606 0.0000000 -0.1130090 0.0000000 1.1916450 0.0000000 -0.0311169 0.0000000 1.1446955 9 H -0.7531672 0.0000000 -0.1801740 0.0000000 -0.4547476 0.0000000 -0.1603951 0.0000000 -0.5105565 10 H -0.7531672 0.0000000 0.1801740 0.0000000 -0.4547476 0.0000000 0.1603951 0.0000000 -0.5105565 11 H -0.7531672 0.0000000 -0.1801740 0.0000000 -0.4547476 0.0000000 -0.1603951 0.0000000 -0.5105565 12 H -0.7531672 0.0000000 0.1801740 0.0000000 -0.4547476 0.0000000 0.1603951 0.0000000 -0.5105565 13 H -0.6365395 0.0000000 0.1296536 0.0000000 -0.4700871 0.0000000 0.1836878 0.0000000 -0.5938752 14 H -0.6365395 0.0000000 -0.1296536 0.0000000 -0.4700871 0.0000000 -0.1836878 0.0000000 -0.5938752 15 H -0.6365395 0.0000000 0.1296536 0.0000000 -0.4700871 0.0000000 0.1836878 0.0000000 -0.5938752 16 H -0.6365395 0.0000000 -0.1296536 0.0000000 -0.4700871 0.0000000 -0.1836878 0.0000000 -0.5938752 17 H -0.4551692 0.0260272 -0.0499774 0.0211210 -0.7126923 0.2015630 -0.0181222 0.1848289 -0.5924000 18 H -0.4551692 -0.0260272 0.0499774 -0.0211210 -0.7126923 0.2015630 0.0181222 0.1848289 -0.5924000 19 H -0.4551692 -0.0260272 -0.0499774 -0.0211210 -0.7126923 -0.2015630 -0.0181222 -0.1848289 -0.5924000 20 H -0.4551692 0.0260272 0.0499774 0.0211210 -0.7126923 -0.2015630 0.0181222 -0.1848289 -0.5924000 21 H -0.4551692 0.0260272 -0.0499774 0.0211210 -0.7126923 0.2015630 -0.0181222 0.1848289 -0.5924000 22 H -0.4551692 -0.0260272 0.0499774 -0.0211210 -0.7126923 0.2015630 0.0181222 0.1848289 -0.5924000 23 H -0.4551692 -0.0260272 -0.0499774 -0.0211210 -0.7126923 -0.2015630 -0.0181222 -0.1848289 -0.5924000 24 H -0.4551692 0.0260272 0.0499774 0.0211210 -0.7126923 -0.2015630 0.0181222 -0.1848289 -0.5924000 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (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 21:55:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:55:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.771754290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.382722330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.044915900000002 Atomic positions (fractional): 1 K 0.17534847784466 0.25000000000000 0.83202009424561 39.098 2 K 0.67534847784466 0.25000000000000 0.66797990575439 39.098 3 K 0.82465152215534 0.75000000000000 0.16797990575439 39.098 4 K 0.32465152215534 0.75000000000000 0.33202009424561 39.098 5 Ga 0.57164836438306 0.25000000000000 0.18951025451843 69.723 6 Ga 0.07164836438306 0.25000000000000 0.31048974548157 69.723 7 Ga 0.42835163561694 0.75000000000000 0.81048974548157 69.723 8 Ga 0.92835163561694 0.75000000000000 0.68951025451843 69.723 9 H 0.41114634882517 0.25000000000000 0.08692005865141 1.008 10 H 0.91114634882517 0.25000000000000 0.41307994134859 1.008 11 H 0.58885365117483 0.75000000000000 0.91307994134859 1.008 12 H 0.08885365117483 0.75000000000000 0.58692005865141 1.008 13 H 0.71190281121111 0.25000000000000 0.04681092526209 1.008 14 H 0.21190281121111 0.25000000000000 0.45318907473791 1.008 15 H 0.28809718878889 0.75000000000000 0.95318907473791 1.008 16 H 0.78809718878889 0.75000000000000 0.54681092526209 1.008 17 H 0.41324613613628 0.98820878434534 0.67641731808459 1.008 18 H 0.91324613613628 0.51179121565466 0.82358268191541 1.008 19 H 0.58675386386372 0.48820878434534 0.32358268191541 1.008 20 H 0.08675386386372 0.01179121565465 0.17641731808459 1.008 21 H 0.58675386386372 0.01179121565465 0.32358268191541 1.008 22 H 0.08675386386372 0.48820878434534 0.17641731808459 1.008 23 H 0.41324613613628 0.51179121565466 0.67641731808459 1.008 24 H 0.91324613613628 0.98820878434534 0.82358268191541 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.771754290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.765444660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.089831800000004 Atomic positions (fractional): 1 K 0.17534847784466 0.12500000000000 0.41601004712280 39.098 > 1 2 K 0.17534847784466 0.62500000000000 0.41601004712280 39.098 > 1 3 K 0.17534847784466 0.12500000000000 0.91601004712280 39.098 > 1 4 K 0.17534847784466 0.62500000000000 0.91601004712280 39.098 > 1 5 K 0.67534847784466 0.12500000000000 0.33398995287720 39.098 > 5 6 K 0.67534847784466 0.62500000000000 0.33398995287720 39.098 > 5 7 K 0.67534847784466 0.12500000000000 0.83398995287720 39.098 > 5 8 K 0.67534847784466 0.62500000000000 0.83398995287720 39.098 > 5 9 K 0.82465152215534 0.37500000000000 0.08398995287720 39.098 > 9 10 K 0.82465152215534 0.87500000000000 0.08398995287720 39.098 > 9 11 K 0.82465152215534 0.37500000000000 0.58398995287720 39.098 > 9 12 K 0.82465152215534 0.87500000000000 0.58398995287720 39.098 > 9 13 K 0.32465152215534 0.37500000000000 0.16601004712281 39.098 > 13 14 K 0.32465152215534 0.87500000000000 0.16601004712281 39.098 > 13 15 K 0.32465152215534 0.37500000000000 0.66601004712280 39.098 > 13 16 K 0.32465152215534 0.87500000000000 0.66601004712280 39.098 > 13 17 Ga 0.57164836438306 0.12500000000000 0.09475512725921 69.723 > 17 18 Ga 0.57164836438306 0.62500000000000 0.09475512725921 69.723 > 17 19 Ga 0.57164836438306 0.12500000000000 0.59475512725921 69.723 > 17 20 Ga 0.57164836438306 0.62500000000000 0.59475512725921 69.723 > 17 21 Ga 0.07164836438306 0.12500000000000 0.15524487274079 69.723 > 21 22 Ga 0.07164836438306 0.62500000000000 0.15524487274079 69.723 > 21 23 Ga 0.07164836438306 0.12500000000000 0.65524487274079 69.723 > 21 24 Ga 0.07164836438306 0.62500000000000 0.65524487274079 69.723 > 21 25 Ga 0.42835163561694 0.37500000000000 0.40524487274079 69.723 > 25 26 Ga 0.42835163561694 0.87500000000000 0.40524487274079 69.723 > 25 27 Ga 0.42835163561694 0.37500000000000 0.90524487274079 69.723 > 25 28 Ga 0.42835163561694 0.87500000000000 0.90524487274079 69.723 > 25 29 Ga 0.92835163561694 0.37500000000000 0.34475512725921 69.723 > 29 30 Ga 0.92835163561694 0.87500000000000 0.34475512725921 69.723 > 29 31 Ga 0.92835163561694 0.37500000000000 0.84475512725921 69.723 > 29 32 Ga 0.92835163561694 0.87500000000000 0.84475512725921 69.723 > 29 33 H 0.41114634882517 0.12500000000000 0.04346002932570 1.008 > 33 34 H 0.41114634882517 0.62500000000000 0.04346002932570 1.008 > 33 35 H 0.41114634882517 0.12500000000000 0.54346002932570 1.008 > 33 36 H 0.41114634882517 0.62500000000000 0.54346002932570 1.008 > 33 37 H 0.91114634882517 0.12500000000000 0.20653997067430 1.008 > 37 38 H 0.91114634882517 0.62500000000000 0.20653997067430 1.008 > 37 39 H 0.91114634882517 0.12500000000000 0.70653997067430 1.008 > 37 40 H 0.91114634882517 0.62500000000000 0.70653997067430 1.008 > 37 41 H 0.58885365117483 0.37500000000000 0.45653997067430 1.008 > 41 42 H 0.58885365117483 0.87500000000000 0.45653997067430 1.008 > 41 43 H 0.58885365117483 0.37500000000000 0.95653997067430 1.008 > 41 44 H 0.58885365117483 0.87500000000000 0.95653997067430 1.008 > 41 45 H 0.08885365117483 0.37500000000000 0.29346002932570 1.008 > 45 46 H 0.08885365117483 0.87500000000000 0.29346002932570 1.008 > 45 47 H 0.08885365117483 0.37500000000000 0.79346002932570 1.008 > 45 48 H 0.08885365117483 0.87500000000000 0.79346002932570 1.008 > 45 49 H 0.71190281121111 0.12500000000000 0.02340546263104 1.008 > 49 50 H 0.71190281121111 0.62500000000000 0.02340546263104 1.008 > 49 51 H 0.71190281121111 0.12500000000000 0.52340546263104 1.008 > 49 52 H 0.71190281121111 0.62500000000000 0.52340546263104 1.008 > 49 53 H 0.21190281121111 0.12500000000000 0.22659453736896 1.008 > 53 54 H 0.21190281121111 0.62500000000000 0.22659453736896 1.008 > 53 55 H 0.21190281121111 0.12500000000000 0.72659453736896 1.008 > 53 56 H 0.21190281121111 0.62500000000000 0.72659453736896 1.008 > 53 57 H 0.28809718878889 0.37500000000000 0.47659453736896 1.008 > 57 58 H 0.28809718878889 0.87500000000000 0.47659453736896 1.008 > 57 59 H 0.28809718878889 0.37500000000000 0.97659453736896 1.008 > 57 60 H 0.28809718878889 0.87500000000000 0.97659453736896 1.008 > 57 61 H 0.78809718878889 0.37500000000000 0.27340546263104 1.008 > 61 62 H 0.78809718878889 0.87500000000000 0.27340546263104 1.008 > 61 63 H 0.78809718878889 0.37500000000000 0.77340546263104 1.008 > 61 64 H 0.78809718878889 0.87500000000000 0.77340546263104 1.008 > 61 65 H 0.41324613613628 0.49410439217267 0.33820865904229 1.008 > 65 66 H 0.41324613613628 0.99410439217267 0.33820865904229 1.008 > 65 67 H 0.41324613613628 0.49410439217267 0.83820865904229 1.008 > 65 68 H 0.41324613613628 0.99410439217267 0.83820865904229 1.008 > 65 69 H 0.91324613613628 0.25589560782733 0.41179134095771 1.008 > 69 70 H 0.91324613613628 0.75589560782733 0.41179134095771 1.008 > 69 71 H 0.91324613613628 0.25589560782733 0.91179134095771 1.008 > 69 72 H 0.91324613613628 0.75589560782733 0.91179134095771 1.008 > 69 73 H 0.58675386386372 0.24410439217267 0.16179134095771 1.008 > 73 74 H 0.58675386386372 0.74410439217267 0.16179134095771 1.008 > 73 75 H 0.58675386386372 0.24410439217267 0.66179134095770 1.008 > 73 76 H 0.58675386386372 0.74410439217267 0.66179134095770 1.008 > 73 77 H 0.08675386386372 0.00589560782733 0.08820865904229 1.008 > 77 78 H 0.08675386386372 0.50589560782733 0.08820865904229 1.008 > 77 79 H 0.08675386386372 0.00589560782733 0.58820865904230 1.008 > 77 80 H 0.08675386386372 0.50589560782733 0.58820865904230 1.008 > 77 81 H 0.58675386386372 0.00589560782733 0.16179134095771 1.008 > 81 82 H 0.58675386386372 0.50589560782733 0.16179134095771 1.008 > 81 83 H 0.58675386386372 0.00589560782733 0.66179134095770 1.008 > 81 84 H 0.58675386386372 0.50589560782733 0.66179134095770 1.008 > 81 85 H 0.08675386386372 0.24410439217267 0.08820865904229 1.008 > 85 86 H 0.08675386386372 0.74410439217267 0.08820865904229 1.008 > 85 87 H 0.08675386386372 0.24410439217267 0.58820865904230 1.008 > 85 88 H 0.08675386386372 0.74410439217267 0.58820865904230 1.008 > 85 89 H 0.41324613613628 0.25589560782733 0.33820865904229 1.008 > 89 90 H 0.41324613613628 0.75589560782733 0.33820865904229 1.008 > 89 91 H 0.41324613613628 0.25589560782733 0.83820865904229 1.008 > 89 92 H 0.41324613613628 0.75589560782733 0.83820865904229 1.008 > 89 93 H 0.91324613613628 0.49410439217267 0.41179134095771 1.008 > 93 94 H 0.91324613613628 0.99410439217267 0.41179134095771 1.008 > 93 95 H 0.91324613613628 0.49410439217267 0.91179134095771 1.008 > 93 96 H 0.91324613613628 0.99410439217267 0.91179134095771 1.008 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0640994 0.0000000 0.0000000 0.0000000 3.1058045 0.0000000 0.0000000 0.0000000 3.0583836 -------------------------- Born effective charges -------------------------- 1 K 1.1404845 0.0000000 0.1186011 0.0000000 1.1585744 0.0000000 0.1053424 0.0000000 1.1445363 2 K 1.1404845 0.0000000 -0.1186011 0.0000000 1.1585744 0.0000000 -0.1053424 0.0000000 1.1445363 3 K 1.1404845 0.0000000 0.1186011 0.0000000 1.1585744 0.0000000 0.1053424 0.0000000 1.1445363 4 K 1.1404845 0.0000000 -0.1186011 0.0000000 1.1585744 0.0000000 -0.1053424 0.0000000 1.1445363 5 Ga 1.1595606 0.0000000 0.1130090 0.0000000 1.1916450 0.0000000 0.0311169 0.0000000 1.1446955 6 Ga 1.1595606 0.0000000 -0.1130090 0.0000000 1.1916450 0.0000000 -0.0311169 0.0000000 1.1446955 7 Ga 1.1595606 0.0000000 0.1130090 0.0000000 1.1916450 0.0000000 0.0311169 0.0000000 1.1446955 8 Ga 1.1595606 0.0000000 -0.1130090 0.0000000 1.1916450 0.0000000 -0.0311169 0.0000000 1.1446955 9 H -0.7531672 0.0000000 -0.1801740 0.0000000 -0.4547476 0.0000000 -0.1603951 0.0000000 -0.5105565 10 H -0.7531672 0.0000000 0.1801740 0.0000000 -0.4547476 0.0000000 0.1603951 0.0000000 -0.5105565 11 H -0.7531672 0.0000000 -0.1801740 0.0000000 -0.4547476 0.0000000 -0.1603951 0.0000000 -0.5105565 12 H -0.7531672 0.0000000 0.1801740 0.0000000 -0.4547476 0.0000000 0.1603951 0.0000000 -0.5105565 13 H -0.6365395 0.0000000 0.1296536 0.0000000 -0.4700871 0.0000000 0.1836878 0.0000000 -0.5938752 14 H -0.6365395 0.0000000 -0.1296536 0.0000000 -0.4700871 0.0000000 -0.1836878 0.0000000 -0.5938752 15 H -0.6365395 0.0000000 0.1296536 0.0000000 -0.4700871 0.0000000 0.1836878 0.0000000 -0.5938752 16 H -0.6365395 0.0000000 -0.1296536 0.0000000 -0.4700871 0.0000000 -0.1836878 0.0000000 -0.5938752 17 H -0.4551692 0.0260272 -0.0499774 0.0211210 -0.7126923 0.2015630 -0.0181222 0.1848289 -0.5924000 18 H -0.4551692 -0.0260272 0.0499774 -0.0211210 -0.7126923 0.2015630 0.0181222 0.1848289 -0.5924000 19 H -0.4551692 -0.0260272 -0.0499774 -0.0211210 -0.7126923 -0.2015630 -0.0181222 -0.1848289 -0.5924000 20 H -0.4551692 0.0260272 0.0499774 0.0211210 -0.7126923 -0.2015630 0.0181222 -0.1848289 -0.5924000 21 H -0.4551692 0.0260272 -0.0499774 0.0211210 -0.7126923 0.2015630 -0.0181222 0.1848289 -0.5924000 22 H -0.4551692 -0.0260272 0.0499774 -0.0211210 -0.7126923 0.2015630 0.0181222 0.1848289 -0.5924000 23 H -0.4551692 -0.0260272 -0.0499774 -0.0211210 -0.7126923 -0.2015630 -0.0181222 -0.1848289 -0.5924000 24 H -0.4551692 0.0260272 0.0499774 0.0211210 -0.7126923 -0.2015630 0.0181222 -0.1848289 -0.5924000 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) 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 ... [ 6 9 7 ] 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: 0.60, Number of G-points: 297, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 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 1.553 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.853 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 8.767 ( 0.000 0.000 0.000) 0.000 8.791 ( 0.000 0.000 0.000) 0.000 8.969 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 9.144 ( 0.000 0.000 0.000) 0.000 9.333 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.428 ( 0.000 0.000 0.000) 0.000 10.541 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.779 ( 0.000 0.000 0.000) 0.000 10.956 ( 0.000 0.000 0.000) 0.000 19.871 ( 0.000 0.000 0.000) 0.000 20.038 ( 0.000 0.000 0.000) 0.000 20.554 ( 0.000 0.000 0.000) 0.000 20.944 ( 0.000 0.000 0.000) 0.000 21.122 ( 0.000 0.000 0.000) 0.000 21.193 ( 0.000 0.000 0.000) 0.000 21.677 ( 0.000 0.000 0.000) 0.000 22.011 ( 0.000 0.000 0.000) 0.000 22.402 ( 0.000 0.000 0.000) 0.000 22.840 ( 0.000 0.000 0.000) 0.000 23.819 ( 0.000 0.000 0.000) 0.000 24.184 ( 0.000 0.000 0.000) 0.000 24.363 ( 0.000 0.000 0.000) 0.000 24.385 ( 0.000 0.000 0.000) 0.000 24.500 ( 0.000 0.000 0.000) 0.000 24.557 ( 0.000 0.000 0.000) 0.000 24.586 ( 0.000 0.000 0.000) 0.000 24.609 ( 0.000 0.000 0.000) 0.000 24.610 ( 0.000 0.000 0.000) 0.000 24.610 ( 0.000 0.000 0.000) 0.000 51.757 ( 0.000 0.000 0.000) 0.000 51.801 ( 0.000 0.000 0.000) 0.000 52.168 ( 0.000 0.000 0.000) 0.000 52.197 ( 0.000 0.000 0.000) 0.000 52.217 ( 0.000 0.000 0.000) 0.000 52.630 ( 0.000 0.000 0.000) 0.000 52.640 ( 0.000 0.000 0.000) 0.000 53.244 ( 0.000 0.000 0.000) 0.000 53.614 ( 0.000 0.000 0.000) 0.000 53.697 ( 0.000 0.000 0.000) 0.000 53.909 ( 0.000 0.000 0.000) 0.000 54.030 ( 0.000 0.000 0.000) 0.000 54.407 ( 0.000 0.000 0.000) 0.000 54.784 ( 0.000 0.000 0.000) 0.000 54.991 ( 0.000 0.000 0.000) 0.000 55.541 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 20.359 0.000 0.000) 20.359 0.443 ( 23.011 0.000 0.000) 23.011 0.632 ( 32.434 0.000 0.000) 32.434 1.593 ( 1.591 0.000 0.000) 1.591 1.726 ( 2.834 0.000 0.000) 2.834 1.739 ( -6.150 0.000 0.000) 6.150 1.792 ( -6.804 0.000 0.000) 6.804 1.876 ( 1.353 0.000 0.000) 1.353 2.048 ( 2.753 0.000 0.000) 2.753 2.161 ( -7.728 0.000 0.000) 7.728 2.412 ( -11.760 0.000 0.000) 11.760 2.605 ( -4.684 0.000 0.000) 4.684 2.863 ( 1.989 0.000 0.000) 1.989 2.939 ( -0.555 0.000 0.000) 0.555 2.965 ( 7.492 0.000 0.000) 7.492 3.186 ( -4.154 0.000 0.000) 4.154 3.274 ( -2.610 0.000 0.000) 2.610 3.477 ( 9.270 0.000 0.000) 9.270 3.569 ( -3.337 0.000 0.000) 3.337 3.611 ( 1.322 0.000 0.000) 1.322 3.704 ( -0.280 0.000 0.000) 0.280 3.839 ( 0.259 0.000 0.000) 0.259 4.237 ( 2.165 0.000 0.000) 2.165 4.316 ( 0.372 0.000 0.000) 0.372 8.868 ( 10.804 0.000 0.000) 10.804 8.940 ( 13.997 0.000 0.000) 13.997 8.984 ( 1.462 0.000 0.000) 1.462 9.108 ( 1.806 0.000 0.000) 1.806 9.133 ( -1.093 0.000 0.000) 1.093 9.320 ( -1.409 0.000 0.000) 1.409 10.289 ( -10.824 0.000 0.000) 10.824 10.461 ( 3.316 0.000 0.000) 3.316 10.510 ( -11.925 0.000 0.000) 11.925 10.557 ( 1.726 0.000 0.000) 1.726 10.757 ( -2.216 0.000 0.000) 2.216 10.924 ( -3.271 0.000 0.000) 3.271 19.882 ( 1.070 0.000 0.000) 1.070 20.026 ( -1.242 0.000 0.000) 1.242 20.588 ( 3.601 0.000 0.000) 3.601 20.955 ( 1.131 0.000 0.000) 1.131 21.109 ( -1.349 0.000 0.000) 1.349 21.132 ( -5.921 0.000 0.000) 5.921 21.714 ( 3.553 0.000 0.000) 3.553 21.999 ( -1.298 0.000 0.000) 1.298 22.908 ( 6.897 0.000 0.000) 6.897 23.739 ( -7.816 0.000 0.000) 7.816 24.197 ( 0.950 0.000 0.000) 0.950 24.280 ( -2.102 0.000 0.000) 2.102 24.400 ( 2.879 0.000 0.000) 2.879 24.503 ( 0.400 0.000 0.000) 0.400 24.564 ( 0.704 0.000 0.000) 0.704 24.579 ( -0.732 0.000 0.000) 0.732 24.590 ( -1.208 0.000 0.000) 1.208 24.608 ( -0.051 0.000 0.000) 0.051 24.641 ( 2.315 0.000 0.000) 2.315 24.854 ( -1.373 0.000 0.000) 1.373 51.759 ( 0.285 0.000 0.000) 0.285 51.797 ( -0.322 0.000 0.000) 0.322 52.170 ( 0.220 0.000 0.000) 0.220 52.196 ( -0.186 0.000 0.000) 0.186 52.230 ( 1.421 0.000 0.000) 1.421 52.529 ( -5.852 0.000 0.000) 5.852 52.766 ( 6.462 0.000 0.000) 6.462 53.212 ( -3.259 0.000 0.000) 3.259 53.710 ( 1.316 0.000 0.000) 1.316 53.884 ( -2.148 0.000 0.000) 2.148 54.050 ( 1.679 0.000 0.000) 1.679 54.134 ( -0.690 0.000 0.000) 0.690 54.448 ( 4.079 0.000 0.000) 4.079 54.948 ( -4.396 0.000 0.000) 4.396 55.517 ( 0.753 0.000 0.000) 0.753 55.548 ( 0.559 0.000 0.000) 0.559 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 19.290 0.000 0.000) 19.290 0.869 ( 21.699 0.000 0.000) 21.699 1.214 ( 27.871 0.000 0.000) 27.871 1.433 ( -13.445 0.000 0.000) 13.445 1.587 ( -14.587 0.000 0.000) 14.587 1.800 ( 4.812 0.000 0.000) 4.812 1.832 ( 10.879 0.000 0.000) 10.879 1.908 ( 1.522 0.000 0.000) 1.522 2.019 ( -6.711 0.000 0.000) 6.711 2.072 ( 0.380 0.000 0.000) 0.380 2.133 ( -17.068 0.000 0.000) 17.068 2.437 ( -12.520 0.000 0.000) 12.520 2.886 ( 0.950 0.000 0.000) 0.950 2.925 ( -0.951 0.000 0.000) 0.951 3.145 ( 10.189 0.000 0.000) 10.189 3.149 ( 0.052 0.000 0.000) 0.052 3.221 ( -2.754 0.000 0.000) 2.754 3.476 ( -6.410 0.000 0.000) 6.410 3.630 ( 4.300 0.000 0.000) 4.300 3.654 ( 5.358 0.000 0.000) 5.358 3.694 ( -0.840 0.000 0.000) 0.840 3.829 ( -1.658 0.000 0.000) 1.658 4.282 ( 2.253 0.000 0.000) 2.253 4.322 ( 0.072 0.000 0.000) 0.072 9.020 ( 2.204 0.000 0.000) 2.204 9.104 ( -1.912 0.000 0.000) 1.912 9.157 ( 3.158 0.000 0.000) 3.158 9.170 ( 20.086 0.000 0.000) 20.086 9.280 ( -2.679 0.000 0.000) 2.679 9.292 ( 22.206 0.000 0.000) 22.206 9.998 ( -19.208 0.000 0.000) 19.208 10.191 ( -20.947 0.000 0.000) 20.947 10.542 ( 4.697 0.000 0.000) 4.697 10.611 ( 4.214 0.000 0.000) 4.214 10.700 ( -3.612 0.000 0.000) 3.612 10.837 ( -5.750 0.000 0.000) 5.750 19.910 ( 1.908 0.000 0.000) 1.908 19.994 ( -2.077 0.000 0.000) 2.077 20.686 ( 6.543 0.000 0.000) 6.543 20.985 ( 2.012 0.000 0.000) 2.012 20.991 ( -8.392 0.000 0.000) 8.392 21.074 ( -2.231 0.000 0.000) 2.231 21.797 ( 4.864 0.000 0.000) 4.864 21.959 ( -2.945 0.000 0.000) 2.945 23.085 ( 11.222 0.000 0.000) 11.222 23.549 ( -11.573 0.000 0.000) 11.573 24.211 ( 0.489 0.000 0.000) 0.489 24.244 ( -1.570 0.000 0.000) 1.570 24.458 ( 3.087 0.000 0.000) 3.087 24.516 ( 0.896 0.000 0.000) 0.896 24.560 ( -2.016 0.000 0.000) 2.016 24.560 ( -1.180 0.000 0.000) 1.180 24.580 ( 0.909 0.000 0.000) 0.909 24.605 ( -0.306 0.000 0.000) 0.306 24.696 ( 3.309 0.000 0.000) 3.309 24.817 ( -2.543 0.000 0.000) 2.543 51.767 ( 0.504 0.000 0.000) 0.504 51.789 ( -0.541 0.000 0.000) 0.541 52.176 ( 0.367 0.000 0.000) 0.367 52.190 ( -0.332 0.000 0.000) 0.332 52.270 ( 2.810 0.000 0.000) 2.810 52.424 ( -5.136 0.000 0.000) 5.136 52.890 ( 6.563 0.000 0.000) 6.563 53.127 ( -5.433 0.000 0.000) 5.433 53.744 ( 2.192 0.000 0.000) 2.192 53.838 ( -2.561 0.000 0.000) 2.561 54.081 ( 1.436 0.000 0.000) 1.436 54.119 ( -0.793 0.000 0.000) 0.793 54.553 ( 6.698 0.000 0.000) 6.698 54.836 ( -7.039 0.000 0.000) 7.039 55.535 ( 1.020 0.000 0.000) 1.020 55.556 ( 0.166 0.000 0.000) 0.166 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -17.379 0.000 0.000) 17.379 1.119 ( 17.379 0.000 0.000) 17.379 1.260 ( -19.244 0.000 0.000) 19.244 1.260 ( 19.244 0.000 0.000) 19.244 1.717 ( -22.669 0.000 0.000) 22.669 1.717 ( 22.669 0.000 0.000) 22.669 1.902 ( -5.760 0.000 0.000) 5.760 1.902 ( 5.760 0.000 0.000) 5.760 1.966 ( -0.758 0.000 0.000) 0.758 1.966 ( 0.758 0.000 0.000) 0.758 2.175 ( -12.812 0.000 0.000) 12.812 2.175 ( 12.812 0.000 0.000) 12.812 2.905 ( -1.057 0.000 0.000) 1.057 2.905 ( 1.057 0.000 0.000) 1.057 3.173 ( -2.122 0.000 0.000) 2.122 3.173 ( 2.122 0.000 0.000) 2.122 3.329 ( -8.898 0.000 0.000) 8.898 3.329 ( 8.898 0.000 0.000) 8.898 3.671 ( -1.563 0.000 0.000) 1.563 3.671 ( 1.563 0.000 0.000) 1.563 3.768 ( -4.832 0.000 0.000) 4.832 3.768 ( 4.832 0.000 0.000) 4.832 4.314 ( -0.998 0.000 0.000) 0.998 4.314 ( 0.998 0.000 0.000) 0.998 9.063 ( -2.299 0.000 0.000) 2.299 9.063 ( 2.299 0.000 0.000) 2.299 9.221 ( -3.435 0.000 0.000) 3.435 9.221 ( 3.435 0.000 0.000) 3.435 9.589 ( -22.890 0.000 0.000) 22.890 9.589 ( 22.890 0.000 0.000) 22.890 9.748 ( -24.722 0.000 0.000) 24.722 9.748 ( 24.722 0.000 0.000) 24.722 10.626 ( -4.114 0.000 0.000) 4.114 10.626 ( 4.114 0.000 0.000) 4.114 10.717 ( -6.446 0.000 0.000) 6.446 10.717 ( 6.446 0.000 0.000) 6.446 19.951 ( -2.296 0.000 0.000) 2.296 19.951 ( 2.296 0.000 0.000) 2.296 20.829 ( -8.305 0.000 0.000) 8.305 20.829 ( 8.305 0.000 0.000) 8.305 21.029 ( -2.435 0.000 0.000) 2.435 21.029 ( 2.435 0.000 0.000) 2.435 21.888 ( -4.445 0.000 0.000) 4.445 21.888 ( 4.445 0.000 0.000) 4.445 23.316 ( -12.631 0.000 0.000) 12.631 23.316 ( 12.631 0.000 0.000) 12.631 24.221 ( -0.784 0.000 0.000) 0.784 24.221 ( 0.784 0.000 0.000) 0.784 24.514 ( -2.744 0.000 0.000) 2.744 24.514 ( 2.744 0.000 0.000) 2.744 24.536 ( -1.227 0.000 0.000) 1.227 24.536 ( 1.227 0.000 0.000) 1.227 24.596 ( -0.679 0.000 0.000) 0.679 24.596 ( 0.679 0.000 0.000) 0.679 24.760 ( -3.288 0.000 0.000) 3.288 24.760 ( 3.288 0.000 0.000) 3.288 51.778 ( -0.602 0.000 0.000) 0.602 51.778 ( 0.602 0.000 0.000) 0.602 52.183 ( -0.402 0.000 0.000) 0.402 52.183 ( 0.402 0.000 0.000) 0.402 52.336 ( -4.089 0.000 0.000) 4.089 52.336 ( 4.089 0.000 0.000) 4.089 53.014 ( -6.374 0.000 0.000) 6.374 53.014 ( 6.374 0.000 0.000) 6.374 53.790 ( -2.545 0.000 0.000) 2.545 53.790 ( 2.545 0.000 0.000) 2.545 54.103 ( -0.952 0.000 0.000) 0.952 54.103 ( 0.952 0.000 0.000) 0.952 54.692 ( -7.731 0.000 0.000) 7.731 54.692 ( 7.731 0.000 0.000) 7.731 55.551 ( -0.614 0.000 0.000) 0.614 55.551 ( 0.614 0.000 0.000) 0.614 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 0.000 15.843 0.000) 15.843 0.485 ( 0.000 23.810 0.000) 23.810 0.679 ( 0.000 32.115 0.000) 32.115 1.594 ( 0.000 3.777 0.000) 3.777 1.790 ( 0.000 7.057 0.000) 7.057 1.812 ( 0.000 -4.622 0.000) 4.622 1.856 ( 0.000 0.295 0.000) 0.295 1.881 ( 0.000 1.970 0.000) 1.970 2.023 ( 0.000 4.060 0.000) 4.060 2.069 ( 0.000 -13.342 0.000) 13.342 2.417 ( 0.000 -13.703 0.000) 13.703 2.558 ( 0.000 -3.215 0.000) 3.215 2.791 ( 0.000 -4.378 0.000) 4.378 2.968 ( 0.000 7.930 0.000) 7.930 2.968 ( 0.000 6.313 0.000) 6.313 3.310 ( 0.000 -0.340 0.000) 0.340 3.335 ( 0.000 3.174 0.000) 3.174 3.537 ( 0.000 -5.749 0.000) 5.749 3.569 ( 0.000 -3.099 0.000) 3.099 3.732 ( 0.000 2.247 0.000) 2.247 3.828 ( 0.000 -0.476 0.000) 0.476 3.839 ( 0.000 -2.768 0.000) 2.768 3.969 ( 0.000 -1.724 0.000) 1.724 4.265 ( 0.000 -4.277 0.000) 4.277 8.748 ( 0.000 -1.741 0.000) 1.741 8.753 ( 0.000 -3.001 0.000) 3.001 9.022 ( 0.000 4.806 0.000) 4.806 9.114 ( 0.000 2.142 0.000) 2.142 9.300 ( 0.000 9.426 0.000) 9.426 9.403 ( 0.000 6.556 0.000) 6.556 10.367 ( 0.000 -1.664 0.000) 1.664 10.390 ( 0.000 -2.885 0.000) 2.885 10.583 ( 0.000 3.097 0.000) 3.097 10.651 ( 0.000 1.716 0.000) 1.716 10.795 ( 0.000 1.259 0.000) 1.259 10.924 ( 0.000 -3.324 0.000) 3.324 20.111 ( 0.000 6.659 0.000) 6.659 20.573 ( 0.000 1.797 0.000) 1.797 20.974 ( 0.000 2.920 0.000) 2.920 21.069 ( 0.000 -2.266 0.000) 2.266 21.323 ( 0.000 9.503 0.000) 9.503 21.641 ( 0.000 -3.424 0.000) 3.424 21.978 ( 0.000 -3.156 0.000) 3.156 22.415 ( 0.000 1.296 0.000) 1.296 22.446 ( 0.000 -2.949 0.000) 2.949 22.862 ( 0.000 1.689 0.000) 1.689 23.804 ( 0.000 -1.418 0.000) 1.418 24.195 ( 0.000 0.966 0.000) 0.966 24.350 ( 0.000 -9.835 0.000) 9.835 24.363 ( 0.000 -0.000 0.000) 0.000 24.380 ( 0.000 -0.421 0.000) 0.421 24.527 ( 0.000 -2.312 0.000) 2.312 24.579 ( 0.000 -0.629 0.000) 0.629 24.625 ( 0.000 -0.837 0.000) 0.837 24.627 ( 0.000 1.134 0.000) 1.134 24.707 ( 0.000 4.825 0.000) 4.825 51.844 ( 0.000 4.077 0.000) 4.077 52.191 ( 0.000 2.245 0.000) 2.245 52.198 ( 0.000 0.194 0.000) 0.194 52.236 ( 0.000 1.749 0.000) 1.749 52.627 ( 0.000 -1.278 0.000) 1.278 52.669 ( 0.000 3.530 0.000) 3.530 53.169 ( 0.000 -0.410 0.000) 0.410 53.210 ( 0.000 -3.298 0.000) 3.298 53.615 ( 0.000 0.040 0.000) 0.040 53.690 ( 0.000 -0.618 0.000) 0.618 53.910 ( 0.000 0.161 0.000) 0.161 54.026 ( 0.000 -0.386 0.000) 0.386 54.418 ( 0.000 0.994 0.000) 0.994 54.772 ( 0.000 -1.089 0.000) 1.089 54.993 ( 0.000 0.279 0.000) 0.279 55.512 ( 0.000 -2.744 0.000) 2.744 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 7.991 12.788 0.000) 15.079 0.506 ( 15.052 9.754 0.000) 17.936 1.040 ( 24.364 25.325 0.000) 35.142 1.629 ( 1.112 3.645 0.000) 3.811 1.723 ( -6.126 0.346 0.000) 6.136 1.746 ( -10.192 -6.459 0.000) 12.066 1.844 ( 0.147 -2.234 0.000) 2.239 1.848 ( 3.328 8.028 0.000) 8.691 2.046 ( -2.135 -6.299 0.000) 6.651 2.063 ( 1.657 2.236 0.000) 2.783 2.352 ( -6.605 -7.005 0.000) 9.628 2.590 ( 1.126 -3.105 0.000) 3.303 2.879 ( 5.961 -4.685 0.000) 7.581 2.950 ( -0.360 6.249 0.000) 6.260 2.992 ( 1.645 4.045 0.000) 4.367 3.300 ( -3.038 2.451 0.000) 3.904 3.313 ( -1.800 2.198 0.000) 2.840 3.488 ( -4.008 -6.170 0.000) 7.358 3.593 ( 0.652 0.108 0.000) 0.661 3.641 ( -5.489 7.818 0.000) 9.553 3.727 ( -0.447 1.862 0.000) 1.915 3.828 ( -0.160 -0.856 0.000) 0.871 4.080 ( 5.090 -10.577 0.000) 11.738 4.264 ( -0.117 -4.626 0.000) 4.628 8.839 ( 10.669 -2.259 0.000) 10.905 8.900 ( 12.942 -2.987 0.000) 13.282 9.038 ( 1.604 4.925 0.000) 5.179 9.133 ( 1.995 2.335 0.000) 3.071 9.272 ( -1.321 10.825 0.000) 10.905 9.389 ( -1.414 6.485 0.000) 6.637 10.273 ( -10.085 -1.083 0.000) 10.143 10.394 ( -1.598 -3.799 0.000) 4.121 10.563 ( -6.497 2.611 0.000) 7.002 10.590 ( 0.440 2.498 0.000) 2.536 10.772 ( -2.302 1.157 0.000) 2.576 10.894 ( -3.050 -2.969 0.000) 4.257 20.106 ( -0.405 7.325 0.000) 7.337 20.603 ( 3.090 1.365 0.000) 3.378 20.739 ( -48.046 43.936 0.000) 65.106 20.991 ( 1.752 3.447 0.000) 3.866 21.032 ( -3.790 -2.686 0.000) 4.645 21.282 ( -3.805 9.612 0.000) 10.337 21.729 ( 2.437 2.109 0.000) 3.223 21.968 ( -1.110 -2.986 0.000) 3.186 22.910 ( 6.902 0.118 0.000) 6.903 23.727 ( -7.480 -1.052 0.000) 7.553 23.866 ( 32.556 -39.216 0.000) 50.969 24.205 ( 0.765 0.743 0.000) 1.067 24.318 ( -2.089 -0.828 0.000) 2.247 24.342 ( -0.788 -10.651 0.000) 10.680 24.448 ( 3.594 -1.955 0.000) 4.092 24.531 ( 0.309 -2.294 0.000) 2.315 24.594 ( 0.539 -0.533 0.000) 0.758 24.624 ( -0.317 1.240 0.000) 1.280 24.710 ( 8.403 -2.570 0.000) 8.787 24.727 ( 2.070 4.730 0.000) 5.163 51.846 ( 0.204 4.507 0.000) 4.511 52.192 ( -1.752 1.419 0.000) 2.254 52.193 ( 0.115 2.269 0.000) 2.271 52.249 ( 1.496 1.695 0.000) 2.261 52.286 ( -26.210 23.162 0.000) 34.977 52.585 ( -9.006 6.632 0.000) 11.184 52.773 ( 5.944 0.796 0.000) 5.997 53.181 ( -2.986 -3.051 0.000) 4.269 53.704 ( 1.411 -0.523 0.000) 1.505 53.886 ( -2.162 0.167 0.000) 2.169 54.033 ( 7.976 -8.117 0.000) 11.380 54.045 ( 1.558 -0.515 0.000) 1.641 54.452 ( 3.898 0.659 0.000) 3.953 54.950 ( -4.341 0.340 0.000) 4.354 55.123 ( 20.033 -19.342 0.000) 27.846 55.512 ( -0.098 -3.306 0.000) 3.307 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 20.160 -4.647 0.000) 20.689 0.822 ( 17.220 4.917 0.000) 17.909 1.451 ( -13.348 2.779 0.000) 13.635 1.479 ( -16.701 -9.162 0.000) 19.049 1.490 ( 21.093 17.552 0.000) 27.440 1.785 ( 6.355 1.457 0.000) 6.520 1.866 ( 1.317 -2.851 0.000) 3.141 1.962 ( 7.868 7.517 0.000) 10.882 1.994 ( -3.336 -0.812 0.000) 3.433 2.072 ( 1.087 2.015 0.000) 2.289 2.176 ( -11.410 1.602 0.000) 11.522 2.516 ( -9.682 5.526 0.000) 11.148 2.959 ( 1.310 5.771 0.000) 5.918 2.962 ( 2.768 -0.187 0.000) 2.774 3.057 ( 5.046 -5.395 0.000) 7.387 3.224 ( -5.406 5.486 0.000) 7.702 3.251 ( -1.301 1.696 0.000) 2.138 3.392 ( -5.879 -5.376 0.000) 7.967 3.641 ( 4.322 0.246 0.000) 4.329 3.655 ( 3.280 -0.380 0.000) 3.302 3.714 ( -1.006 1.238 0.000) 1.595 3.811 ( -1.956 -1.603 0.000) 2.529 4.163 ( 3.821 -10.018 0.000) 10.722 4.255 ( -1.005 -5.859 0.000) 5.944 9.076 ( 2.283 5.125 0.000) 5.610 9.090 ( 9.124 -1.302 0.000) 9.216 9.170 ( 14.045 -1.328 0.000) 14.108 9.186 ( 3.401 2.743 0.000) 4.369 9.325 ( 6.450 6.996 0.000) 9.515 9.380 ( 7.107 6.662 0.000) 9.741 9.993 ( -18.758 -0.239 0.000) 18.760 10.178 ( -19.363 -1.023 0.000) 19.390 10.549 ( 3.880 0.287 0.000) 3.891 10.626 ( 3.133 1.281 0.000) 3.385 10.713 ( -3.762 0.895 0.000) 3.867 10.814 ( -5.214 -2.160 0.000) 5.644 20.101 ( 0.059 9.628 0.000) 9.629 20.244 ( -12.016 25.842 0.000) 28.499 20.686 ( 5.522 0.156 0.000) 5.524 20.933 ( -6.315 -2.701 0.000) 6.868 21.039 ( 3.255 4.943 0.000) 5.919 21.198 ( -4.688 8.954 0.000) 10.107 21.797 ( 4.126 0.115 0.000) 4.128 21.934 ( -2.503 -2.400 0.000) 3.467 23.086 ( 11.110 0.069 0.000) 11.111 23.544 ( -11.301 -0.517 0.000) 11.313 24.150 ( 5.841 -18.839 0.000) 19.723 24.214 ( 0.055 -0.113 0.000) 0.126 24.291 ( -0.679 -4.571 0.000) 4.621 24.322 ( -1.323 -12.401 0.000) 12.471 24.500 ( 2.016 -1.906 0.000) 2.774 24.535 ( 0.035 -2.112 0.000) 2.112 24.601 ( 0.297 -0.042 0.000) 0.300 24.616 ( -0.500 1.259 0.000) 1.355 24.778 ( 2.974 4.292 0.000) 5.221 24.826 ( 2.656 -0.532 0.000) 2.708 51.854 ( 0.748 5.931 0.000) 5.978 51.969 ( -7.991 15.473 0.000) 17.415 52.194 ( 0.051 1.937 0.000) 1.938 52.198 ( -0.184 0.993 0.000) 1.010 52.293 ( 3.106 1.975 0.000) 3.680 52.461 ( -5.549 3.333 0.000) 6.474 52.887 ( 5.963 -0.342 0.000) 5.973 53.103 ( -4.973 -2.388 0.000) 5.517 53.740 ( 2.322 -0.290 0.000) 2.340 53.839 ( -2.628 0.107 0.000) 2.630 54.073 ( 1.238 -0.813 0.000) 1.481 54.090 ( 0.644 -2.764 0.000) 2.838 54.556 ( 6.706 0.441 0.000) 6.721 54.839 ( -7.014 0.421 0.000) 7.026 55.365 ( 7.492 -13.279 0.000) 15.247 55.502 ( -1.190 -4.947 0.000) 5.088 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -7.012 -6.142 0.000) 9.322 1.083 ( 7.012 -6.142 0.000) 9.322 1.190 ( -3.662 0.164 0.000) 3.666 1.190 ( 3.662 0.164 0.000) 3.666 1.824 ( -10.589 3.560 0.000) 11.171 1.824 ( 10.589 3.560 0.000) 11.171 1.896 ( -6.592 4.576 0.000) 8.025 1.896 ( 6.592 4.576 0.000) 8.025 2.012 ( -1.718 1.353 0.000) 2.187 2.012 ( 1.718 1.353 0.000) 2.187 2.262 ( -15.117 9.046 0.000) 17.617 2.262 ( 15.117 9.046 0.000) 17.617 2.984 ( -0.526 5.003 0.000) 5.030 2.984 ( 0.526 5.003 0.000) 5.030 3.143 ( -3.553 -4.423 0.000) 5.673 3.143 ( 3.553 -4.423 0.000) 5.673 3.282 ( -4.721 -1.204 0.000) 4.872 3.282 ( 4.721 -1.204 0.000) 4.872 3.687 ( -1.802 0.594 0.000) 1.898 3.687 ( 1.802 0.594 0.000) 1.898 3.749 ( -4.557 -1.830 0.000) 4.910 3.749 ( 4.557 -1.830 0.000) 4.910 4.223 ( -2.428 -7.913 0.000) 8.277 4.223 ( 2.428 -7.913 0.000) 8.277 9.116 ( -1.624 4.628 0.000) 4.904 9.116 ( 1.624 4.628 0.000) 4.904 9.252 ( -3.071 2.724 0.000) 4.105 9.252 ( 3.071 2.724 0.000) 4.105 9.595 ( -21.839 0.957 0.000) 21.860 9.595 ( 21.839 0.957 0.000) 21.860 9.755 ( -23.540 0.988 0.000) 23.560 9.755 ( 23.540 0.988 0.000) 23.560 10.634 ( -4.476 0.329 0.000) 4.488 10.634 ( 4.476 0.329 0.000) 4.488 10.709 ( -5.370 -0.629 0.000) 5.407 10.709 ( 5.370 -0.629 0.000) 5.407 20.122 ( -2.722 14.746 0.000) 14.995 20.122 ( 2.722 14.746 0.000) 14.995 20.805 ( -6.781 -1.461 0.000) 6.936 20.805 ( 6.781 -1.461 0.000) 6.936 21.112 ( -4.289 7.055 0.000) 8.257 21.112 ( 4.289 7.055 0.000) 8.257 21.874 ( -3.766 -1.317 0.000) 3.990 21.874 ( 3.766 -1.317 0.000) 3.990 23.314 ( -12.457 -0.149 0.000) 12.458 23.314 ( 12.457 -0.149 0.000) 12.458 24.206 ( -1.075 -4.829 0.000) 4.947 24.206 ( 1.075 -4.829 0.000) 4.947 24.296 ( -1.143 -11.676 0.000) 11.732 24.296 ( 1.143 -11.676 0.000) 11.732 24.528 ( -0.922 -1.768 0.000) 1.994 24.528 ( 0.922 -1.768 0.000) 1.994 24.607 ( -0.390 0.723 0.000) 0.822 24.607 ( 0.390 0.723 0.000) 0.822 24.827 ( -1.821 2.886 0.000) 3.412 24.827 ( 1.821 2.886 0.000) 3.412 51.881 ( -2.417 8.989 0.000) 9.309 51.881 ( 2.417 8.989 0.000) 9.309 52.195 ( -0.081 1.371 0.000) 1.373 52.195 ( 0.081 1.371 0.000) 1.373 52.366 ( -4.451 2.570 0.000) 5.139 52.366 ( 4.451 2.570 0.000) 5.139 52.999 ( -5.804 -1.448 0.000) 5.982 52.999 ( 5.804 -1.448 0.000) 5.982 53.788 ( -2.656 -0.054 0.000) 2.656 53.788 ( 2.656 -0.054 0.000) 2.656 54.089 ( -0.523 -1.347 0.000) 1.445 54.089 ( 0.523 -1.347 0.000) 1.445 54.696 ( -7.746 0.436 0.000) 7.758 54.696 ( 7.746 0.436 0.000) 7.758 55.461 ( -3.262 -7.913 0.000) 8.559 55.461 ( 3.262 -7.913 0.000) 8.559 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 14.744 0.000) 14.744 0.986 ( 0.000 24.660 0.000) 24.660 1.310 ( 0.000 28.601 0.000) 28.601 1.670 ( 0.000 -8.942 0.000) 8.942 1.700 ( 0.000 6.411 0.000) 6.411 1.788 ( 0.000 -13.047 0.000) 13.047 1.865 ( 0.000 0.635 0.000) 0.635 1.888 ( 0.000 2.051 0.000) 2.051 1.904 ( 0.000 -1.130 0.000) 1.130 2.155 ( 0.000 -10.270 0.000) 10.270 2.205 ( 0.000 12.007 0.000) 12.007 2.408 ( 0.000 -9.820 0.000) 9.820 2.673 ( 0.000 -6.224 0.000) 6.224 3.081 ( 0.000 3.035 0.000) 3.035 3.101 ( 0.000 4.975 0.000) 4.975 3.269 ( 0.000 -6.533 0.000) 6.533 3.398 ( 0.000 -4.544 0.000) 4.544 3.437 ( 0.000 6.530 0.000) 6.530 3.479 ( 0.000 -5.272 0.000) 5.272 3.762 ( 0.000 -4.497 0.000) 4.497 3.789 ( 0.000 3.103 0.000) 3.103 3.821 ( 0.000 -0.093 0.000) 0.093 3.907 ( 0.000 -4.477 0.000) 4.477 4.156 ( 0.000 -5.635 0.000) 5.635 8.687 ( 0.000 -3.113 0.000) 3.113 8.702 ( 0.000 -2.588 0.000) 2.588 9.145 ( 0.000 6.444 0.000) 6.444 9.172 ( 0.000 3.324 0.000) 3.324 9.554 ( 0.000 14.505 0.000) 14.505 9.587 ( 0.000 10.806 0.000) 10.806 10.341 ( 0.000 -1.333 0.000) 1.333 10.350 ( 0.000 0.220 0.000) 0.220 10.638 ( 0.000 1.717 0.000) 1.717 10.674 ( 0.000 0.203 0.000) 0.203 10.811 ( 0.000 -0.279 0.000) 0.279 10.825 ( 0.000 -6.184 0.000) 6.184 20.289 ( 0.000 9.873 0.000) 9.873 20.621 ( 0.000 2.582 0.000) 2.582 21.046 ( 0.000 0.096 0.000) 0.096 21.065 ( 0.000 5.823 0.000) 5.823 21.541 ( 0.000 -6.115 0.000) 6.115 21.558 ( 0.000 12.879 0.000) 12.879 21.884 ( 0.000 -5.866 0.000) 5.866 22.380 ( 0.000 -3.221 0.000) 3.221 22.455 ( 0.000 2.577 0.000) 2.577 22.885 ( 0.000 0.039 0.000) 0.039 23.769 ( 0.000 -1.665 0.000) 1.665 24.143 ( 0.000 -9.845 0.000) 9.845 24.222 ( 0.000 1.668 0.000) 1.668 24.362 ( 0.000 -0.125 0.000) 0.125 24.370 ( 0.000 -0.583 0.000) 0.583 24.473 ( 0.000 -2.857 0.000) 2.857 24.562 ( 0.000 -0.926 0.000) 0.926 24.601 ( 0.000 -1.378 0.000) 1.378 24.649 ( 0.000 0.963 0.000) 0.963 24.773 ( 0.000 1.559 0.000) 1.559 51.956 ( 0.000 6.292 0.000) 6.292 52.214 ( 0.000 1.562 0.000) 1.562 52.248 ( 0.000 2.414 0.000) 2.414 52.293 ( 0.000 4.419 0.000) 4.419 52.587 ( 0.000 -2.522 0.000) 2.522 52.762 ( 0.000 5.201 0.000) 5.201 53.111 ( 0.000 -6.222 0.000) 6.222 53.153 ( 0.000 -1.198 0.000) 1.198 53.616 ( 0.000 0.082 0.000) 0.082 53.673 ( 0.000 -0.960 0.000) 0.960 53.917 ( 0.000 0.534 0.000) 0.534 54.014 ( 0.000 -0.709 0.000) 0.709 54.448 ( 0.000 1.980 0.000) 1.980 54.740 ( 0.000 -2.040 0.000) 2.040 55.007 ( 0.000 1.189 0.000) 1.189 55.434 ( 0.000 -4.675 0.000) 4.675 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 9.045 12.197 0.000) 15.185 0.835 ( -7.348 23.739 0.000) 24.850 1.551 ( -11.854 -10.208 0.000) 15.644 1.562 ( 17.607 24.237 0.000) 29.957 1.728 ( -7.975 3.411 0.000) 8.674 1.748 ( 2.928 4.331 0.000) 5.228 1.758 ( 0.907 -6.389 0.000) 6.453 1.953 ( 1.349 -4.462 0.000) 4.662 1.958 ( 3.991 2.018 0.000) 4.472 2.206 ( 4.035 -5.866 0.000) 7.120 2.208 ( -0.024 11.223 0.000) 11.223 2.435 ( 2.732 -10.140 0.000) 10.501 2.753 ( 7.080 -7.157 0.000) 10.068 3.060 ( -1.080 3.168 0.000) 3.347 3.099 ( -1.043 4.591 0.000) 4.708 3.237 ( -3.915 -10.142 0.000) 10.871 3.384 ( -5.143 6.087 0.000) 7.969 3.406 ( 2.058 0.132 0.000) 2.063 3.525 ( 3.885 -5.078 0.000) 6.394 3.747 ( -4.363 1.449 0.000) 4.597 3.765 ( -2.062 1.743 0.000) 2.700 3.815 ( -0.958 -0.405 0.000) 1.041 3.873 ( 0.260 -9.384 0.000) 9.387 4.151 ( -0.802 -5.759 0.000) 5.814 8.787 ( 10.834 -2.536 0.000) 11.126 8.835 ( 12.577 -3.112 0.000) 12.957 9.161 ( 1.703 6.163 0.000) 6.394 9.199 ( 2.634 4.005 0.000) 4.794 9.539 ( -0.982 14.673 0.000) 14.706 9.571 ( -1.644 10.625 0.000) 10.751 10.264 ( -9.159 0.509 0.000) 9.174 10.337 ( -1.863 -1.303 0.000) 2.274 10.595 ( -6.530 0.310 0.000) 6.537 10.634 ( -0.188 1.299 0.000) 1.312 10.776 ( -3.088 -2.480 0.000) 3.960 10.813 ( -1.624 -3.591 0.000) 3.941 20.300 ( 1.241 10.574 0.000) 10.646 20.640 ( 2.063 2.112 0.000) 2.953 21.003 ( -4.261 -0.161 0.000) 4.264 21.094 ( 3.024 6.400 0.000) 7.079 21.246 ( -30.506 8.188 0.000) 31.586 21.514 ( -4.431 12.544 0.000) 13.303 21.849 ( -8.248 9.498 0.000) 12.580 21.879 ( -0.490 -5.479 0.000) 5.501 22.903 ( 8.210 -1.178 0.000) 8.294 23.252 ( 30.575 -20.444 0.000) 36.780 23.701 ( -6.760 -1.246 0.000) 6.873 24.115 ( -2.912 -10.655 0.000) 11.046 24.230 ( 0.642 1.397 0.000) 1.538 24.316 ( -2.293 0.200 0.000) 2.302 24.420 ( 2.569 -1.305 0.000) 2.881 24.477 ( 0.397 -2.824 0.000) 2.851 24.581 ( 1.058 -0.671 0.000) 1.253 24.646 ( -0.274 0.983 0.000) 1.020 24.667 ( 6.668 -2.027 0.000) 6.969 24.790 ( 1.665 1.301 0.000) 2.113 51.968 ( 1.276 6.766 0.000) 6.885 52.215 ( 0.040 1.754 0.000) 1.755 52.262 ( 1.000 3.742 0.000) 3.873 52.294 ( 0.555 3.075 0.000) 3.124 52.495 ( -9.360 2.315 0.000) 9.641 52.796 ( -18.006 9.014 0.000) 20.136 52.805 ( 1.431 2.742 0.000) 3.093 53.088 ( -2.310 -5.860 0.000) 6.299 53.691 ( 1.786 -0.682 0.000) 1.912 53.872 ( 12.517 -6.647 0.000) 14.172 53.893 ( -2.119 0.629 0.000) 2.210 54.029 ( 1.155 -1.002 0.000) 1.529 54.479 ( 3.436 1.932 0.000) 3.942 54.872 ( 11.903 -7.324 0.000) 13.975 54.966 ( -4.201 1.280 0.000) 4.392 55.420 ( -1.508 -5.365 0.000) 5.573 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 5.541 12.899 0.000) 14.039 0.956 ( 12.365 7.546 0.000) 14.486 1.300 ( -13.320 -6.185 0.000) 14.686 1.511 ( -12.874 3.383 0.000) 13.311 1.794 ( 6.362 9.225 0.000) 11.207 1.802 ( 3.244 -3.536 0.000) 4.798 1.878 ( 5.567 4.400 0.000) 7.095 1.947 ( -1.495 -3.365 0.000) 3.682 2.061 ( 6.410 8.794 0.000) 10.882 2.240 ( -1.428 4.016 0.000) 4.262 2.244 ( 6.922 10.927 0.000) 12.934 2.496 ( 2.405 -8.588 0.000) 8.919 2.887 ( 6.069 -6.583 0.000) 8.954 3.032 ( -4.064 2.735 0.000) 4.899 3.070 ( -0.169 4.060 0.000) 4.063 3.134 ( -5.956 -10.100 0.000) 11.726 3.289 ( -2.652 2.551 0.000) 3.680 3.441 ( -1.573 5.692 0.000) 5.905 3.604 ( 3.314 -3.985 0.000) 5.183 3.641 ( -1.433 -1.579 0.000) 2.133 3.720 ( -2.737 -0.492 0.000) 2.781 3.779 ( -2.847 -1.271 0.000) 3.118 3.943 ( 5.355 -9.737 0.000) 11.112 4.118 ( -2.790 -6.583 0.000) 7.150 9.057 ( 15.000 -1.645 0.000) 15.090 9.124 ( 15.747 -2.629 0.000) 15.965 9.202 ( 2.178 6.130 0.000) 6.505 9.263 ( 3.695 4.449 0.000) 5.783 9.531 ( -0.541 11.323 0.000) 11.336 9.565 ( 4.792 11.670 0.000) 12.615 10.004 ( -17.494 1.662 0.000) 17.573 10.169 ( -16.359 0.649 0.000) 16.372 10.539 ( 1.801 -1.451 0.000) 2.313 10.650 ( 1.877 0.560 0.000) 1.959 10.703 ( -4.538 -3.051 0.000) 5.468 10.764 ( -3.250 -1.900 0.000) 3.764 20.344 ( 3.773 12.694 0.000) 13.243 20.698 ( 3.982 1.035 0.000) 4.115 20.733 ( -20.330 18.429 0.000) 27.439 20.901 ( -5.995 -0.387 0.000) 6.008 21.175 ( 5.349 7.871 0.000) 9.517 21.411 ( -6.124 11.315 0.000) 12.866 21.816 ( 0.885 2.140 0.000) 2.316 21.865 ( -1.053 -4.167 0.000) 4.298 23.084 ( 11.070 -0.301 0.000) 11.074 23.531 ( -10.727 -0.614 0.000) 10.745 23.674 ( 15.321 -21.845 0.000) 26.682 24.033 ( -5.735 -13.085 0.000) 14.286 24.242 ( 0.577 1.037 0.000) 1.187 24.279 ( -1.604 0.554 0.000) 1.697 24.460 ( 1.671 -2.080 0.000) 2.668 24.484 ( 0.248 -2.732 0.000) 2.744 24.601 ( 1.120 0.118 0.000) 1.127 24.638 ( -0.641 0.988 0.000) 1.177 24.792 ( 5.110 -2.475 0.000) 5.678 24.826 ( 1.830 0.449 0.000) 1.884 52.007 ( 2.985 8.081 0.000) 8.614 52.203 ( -2.954 4.038 0.000) 5.003 52.263 ( -0.593 4.837 0.000) 4.873 52.289 ( -7.923 9.137 0.000) 12.094 52.338 ( 3.779 2.027 0.000) 4.288 52.553 ( -8.085 5.406 0.000) 9.726 52.875 ( 3.930 -0.827 0.000) 4.016 53.028 ( -3.755 -4.822 0.000) 6.112 53.735 ( 2.783 -0.073 0.000) 2.783 53.846 ( -2.754 0.661 0.000) 2.832 54.012 ( 3.615 -4.581 0.000) 5.835 54.047 ( 0.603 -1.656 0.000) 1.762 54.577 ( 6.528 1.639 0.000) 6.731 54.857 ( -6.925 1.424 0.000) 7.070 55.102 ( 10.893 -10.980 0.000) 15.467 55.371 ( -3.782 -7.188 0.000) 8.122 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -11.055 0.736 0.000) 11.079 0.997 ( 11.055 0.736 0.000) 11.079 1.260 ( -12.333 5.115 0.000) 13.352 1.260 ( 12.333 5.115 0.000) 13.352 1.855 ( -0.797 1.507 0.000) 1.704 1.855 ( 0.797 1.507 0.000) 1.704 1.913 ( -1.288 -2.560 0.000) 2.866 1.913 ( 1.288 -2.560 0.000) 2.866 2.165 ( -5.316 11.117 0.000) 12.323 2.165 ( 5.316 11.117 0.000) 12.323 2.445 ( -9.074 4.765 0.000) 10.249 2.445 ( 9.074 4.765 0.000) 10.249 2.962 ( -2.213 -5.430 0.000) 5.864 2.962 ( 2.213 -5.430 0.000) 5.864 3.064 ( -0.298 -1.447 0.000) 1.477 3.064 ( 0.298 -1.447 0.000) 1.477 3.334 ( -6.334 3.593 0.000) 7.282 3.334 ( 6.334 3.593 0.000) 7.282 3.659 ( -3.518 -2.942 0.000) 4.586 3.659 ( 3.518 -2.942 0.000) 4.586 3.708 ( -4.508 -1.982 0.000) 4.925 3.708 ( 4.508 -1.982 0.000) 4.925 4.044 ( -4.836 -8.120 0.000) 9.451 4.044 ( 4.836 -8.120 0.000) 9.451 9.218 ( -1.772 4.331 0.000) 4.679 9.218 ( 1.772 4.331 0.000) 4.679 9.309 ( -0.917 2.069 0.000) 2.263 9.309 ( 0.917 2.069 0.000) 2.263 9.655 ( -16.189 5.416 0.000) 17.071 9.655 ( 16.189 5.416 0.000) 17.071 9.807 ( -18.966 4.526 0.000) 19.499 9.807 ( 18.966 4.526 0.000) 19.499 10.611 ( -4.804 -2.769 0.000) 5.545 10.611 ( 4.804 -2.769 0.000) 5.545 10.700 ( -3.232 -0.457 0.000) 3.264 10.700 ( 3.232 -0.457 0.000) 3.264 20.462 ( -9.284 16.030 0.000) 18.524 20.462 ( 9.284 16.030 0.000) 18.524 20.789 ( -5.525 0.031 0.000) 5.525 20.789 ( 5.525 0.031 0.000) 5.525 21.289 ( -6.448 9.682 0.000) 11.633 21.289 ( 6.448 9.682 0.000) 11.633 21.841 ( -1.417 -1.680 0.000) 2.198 21.841 ( 1.417 -1.680 0.000) 2.198 23.309 ( -12.170 -0.283 0.000) 12.173 23.309 ( 12.170 -0.283 0.000) 12.173 23.895 ( -8.940 -17.101 0.000) 19.297 23.895 ( 8.940 -17.101 0.000) 19.297 24.255 ( -0.912 0.815 0.000) 1.223 24.255 ( 0.912 0.815 0.000) 1.223 24.482 ( -0.595 -2.540 0.000) 2.608 24.482 ( 0.595 -2.540 0.000) 2.608 24.622 ( -0.992 0.768 0.000) 1.255 24.622 ( 0.992 0.768 0.000) 1.255 24.843 ( -0.492 -1.046 0.000) 1.156 24.843 ( 0.492 -1.046 0.000) 1.156 52.088 ( -5.778 9.525 0.000) 11.140 52.088 ( 5.778 9.525 0.000) 11.140 52.252 ( -0.377 4.380 0.000) 4.396 52.252 ( 0.377 4.380 0.000) 4.396 52.428 ( -5.561 3.141 0.000) 6.387 52.428 ( 5.561 3.141 0.000) 6.387 52.952 ( -4.143 -3.155 0.000) 5.208 52.952 ( 4.143 -3.155 0.000) 5.208 53.791 ( -2.982 0.433 0.000) 3.013 53.791 ( 2.982 0.433 0.000) 3.013 54.047 ( -0.677 -2.679 0.000) 2.764 54.047 ( 0.677 -2.679 0.000) 2.764 54.715 ( -7.711 1.507 0.000) 7.857 54.715 ( 7.711 1.507 0.000) 7.857 55.271 ( -6.929 -9.563 0.000) 11.809 55.271 ( 6.929 -9.563 0.000) 11.809 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 12.421 0.000) 12.421 1.464 ( 0.000 -10.235 0.000) 10.235 1.496 ( 0.000 24.394 0.000) 24.394 1.559 ( 0.000 -8.413 0.000) 8.413 1.791 ( 0.000 -8.679 0.000) 8.679 1.793 ( 0.000 12.513 0.000) 12.513 1.875 ( 0.000 3.026 0.000) 3.026 1.909 ( 0.000 0.575 0.000) 0.575 1.910 ( 0.000 16.330 0.000) 16.330 2.031 ( 0.000 -2.870 0.000) 2.870 2.199 ( 0.000 -9.550 0.000) 9.550 2.349 ( 0.000 -1.877 0.000) 1.877 2.623 ( 0.000 3.287 0.000) 3.287 3.005 ( 0.000 -16.794 0.000) 16.794 3.115 ( 0.000 0.951 0.000) 0.951 3.162 ( 0.000 1.271 0.000) 1.271 3.377 ( 0.000 -3.409 0.000) 3.409 3.394 ( 0.000 2.195 0.000) 2.195 3.578 ( 0.000 6.413 0.000) 6.413 3.661 ( 0.000 -5.143 0.000) 5.143 3.781 ( 0.000 -7.772 0.000) 7.772 3.815 ( 0.000 -0.983 0.000) 0.983 3.857 ( 0.000 3.433 0.000) 3.433 4.052 ( 0.000 -4.138 0.000) 4.138 8.632 ( 0.000 -2.100 0.000) 2.100 8.649 ( 0.000 -2.333 0.000) 2.333 9.242 ( 0.000 3.160 0.000) 3.160 9.260 ( 0.000 4.190 0.000) 4.190 9.829 ( 0.000 12.060 0.000) 12.060 9.869 ( 0.000 15.196 0.000) 15.196 10.350 ( 0.000 2.218 0.000) 2.218 10.379 ( 0.000 2.438 0.000) 2.438 10.644 ( 0.000 -1.170 0.000) 1.170 10.655 ( 0.000 -1.971 0.000) 1.971 10.678 ( 0.000 -7.655 0.000) 7.655 10.765 ( 0.000 -4.442 0.000) 4.442 20.487 ( 0.000 8.707 0.000) 8.707 20.669 ( 0.000 1.845 0.000) 1.845 21.072 ( 0.000 2.359 0.000) 2.359 21.209 ( 0.000 7.986 0.000) 7.986 21.401 ( 0.000 -7.138 0.000) 7.138 21.742 ( 0.000 -7.777 0.000) 7.777 21.833 ( 0.000 13.181 0.000) 13.181 22.313 ( 0.000 -3.382 0.000) 3.382 22.523 ( 0.000 4.087 0.000) 4.087 22.853 ( 0.000 -3.262 0.000) 3.262 23.745 ( 0.000 -0.489 0.000) 0.489 23.957 ( 0.000 -7.862 0.000) 7.862 24.262 ( 0.000 2.070 0.000) 2.070 24.358 ( 0.000 -0.255 0.000) 0.255 24.359 ( 0.000 -0.442 0.000) 0.442 24.413 ( 0.000 -2.847 0.000) 2.847 24.545 ( 0.000 -0.680 0.000) 0.680 24.572 ( 0.000 -1.401 0.000) 1.401 24.670 ( 0.000 1.173 0.000) 1.173 24.776 ( 0.000 -1.012 0.000) 1.012 52.088 ( 0.000 6.118 0.000) 6.118 52.264 ( 0.000 3.290 0.000) 3.290 52.276 ( 0.000 0.353 0.000) 0.353 52.420 ( 0.000 7.474 0.000) 7.474 52.523 ( 0.000 -3.673 0.000) 3.673 52.872 ( 0.000 5.282 0.000) 5.282 52.959 ( 0.000 -8.246 0.000) 8.246 53.117 ( 0.000 -2.308 0.000) 2.308 53.618 ( 0.000 0.188 0.000) 0.188 53.653 ( 0.000 -0.939 0.000) 0.939 53.932 ( 0.000 0.923 0.000) 0.923 53.997 ( 0.000 -0.936 0.000) 0.936 54.498 ( 0.000 2.789 0.000) 2.789 54.690 ( 0.000 -2.763 0.000) 2.763 55.047 ( 0.000 2.668 0.000) 2.668 55.327 ( 0.000 -5.457 0.000) 5.457 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 5.438 11.069 0.000) 12.332 1.340 ( -10.490 24.611 0.000) 26.753 1.385 ( -6.826 -5.117 0.000) 8.531 1.603 ( 4.711 -7.833 0.000) 9.141 1.769 ( -7.981 2.158 0.000) 8.267 1.822 ( 2.662 -7.997 0.000) 8.429 1.872 ( 2.520 3.942 0.000) 4.679 1.922 ( 1.795 6.574 0.000) 6.815 2.085 ( 13.933 15.486 0.000) 20.831 2.098 ( 5.387 -5.110 0.000) 7.425 2.241 ( 4.594 -7.794 0.000) 9.047 2.387 ( 2.401 2.705 0.000) 3.617 2.627 ( 1.874 -3.786 0.000) 4.224 2.988 ( -1.812 -11.656 0.000) 11.796 3.092 ( -1.898 0.647 0.000) 2.005 3.148 ( -1.600 0.655 0.000) 1.729 3.402 ( 3.571 -5.272 0.000) 6.367 3.448 ( 4.532 2.620 0.000) 5.235 3.533 ( -4.905 7.291 0.000) 8.787 3.682 ( -1.414 -8.816 0.000) 8.929 3.725 ( -2.019 -3.533 0.000) 4.070 3.798 ( -2.096 -1.566 0.000) 2.617 3.811 ( -3.695 2.958 0.000) 4.733 4.045 ( -1.170 -4.375 0.000) 4.528 8.742 ( 11.386 -1.692 0.000) 11.511 8.775 ( 12.375 -2.569 0.000) 12.639 9.260 ( 2.001 3.623 0.000) 4.139 9.291 ( 2.881 3.936 0.000) 4.878 9.808 ( -2.086 11.836 0.000) 12.019 9.853 ( -1.450 14.854 0.000) 14.924 10.302 ( -7.941 3.157 0.000) 8.546 10.351 ( -1.284 2.619 0.000) 2.917 10.573 ( -7.419 -2.369 0.000) 7.788 10.630 ( -0.826 -1.753 0.000) 1.938 10.656 ( -2.152 -7.057 0.000) 7.378 10.750 ( -1.477 -4.393 0.000) 4.635 20.508 ( 2.286 8.950 0.000) 9.238 20.683 ( 1.445 1.740 0.000) 2.262 21.023 ( -4.736 2.022 0.000) 5.150 21.246 ( 3.812 8.097 0.000) 8.949 21.265 ( -13.479 -3.172 0.000) 13.848 21.748 ( 0.651 -7.150 0.000) 7.179 21.779 ( -5.475 12.533 0.000) 13.677 22.038 ( -12.484 7.140 0.000) 14.382 22.848 ( 14.705 -3.930 0.000) 15.221 22.969 ( 14.809 -8.045 0.000) 16.854 23.684 ( -6.144 -0.214 0.000) 6.147 23.914 ( -4.468 -8.449 0.000) 9.558 24.265 ( 0.325 1.945 0.000) 1.972 24.323 ( -1.663 0.525 0.000) 1.744 24.391 ( 1.491 -1.443 0.000) 2.075 24.418 ( 0.410 -2.872 0.000) 2.901 24.569 ( 1.863 -0.337 0.000) 1.894 24.625 ( 5.349 -1.979 0.000) 5.704 24.668 ( -0.167 1.270 0.000) 1.281 24.787 ( 1.033 -1.311 0.000) 1.669 52.107 ( 1.992 6.333 0.000) 6.639 52.268 ( 0.390 3.390 0.000) 3.412 52.300 ( 2.510 0.401 0.000) 2.542 52.411 ( -0.895 7.466 0.000) 7.519 52.494 ( -3.000 -1.812 0.000) 3.505 52.862 ( -0.826 3.130 0.000) 3.238 52.924 ( -14.658 3.275 0.000) 15.020 52.944 ( -1.547 -7.926 0.000) 8.076 53.679 ( 2.655 -0.301 0.000) 2.672 53.765 ( 10.051 -3.858 0.000) 10.766 53.912 ( -1.850 1.183 0.000) 2.196 54.004 ( 0.446 -1.381 0.000) 1.451 54.530 ( 3.392 2.909 0.000) 4.469 54.758 ( 6.728 -4.498 0.000) 8.093 55.007 ( -4.022 2.770 0.000) 4.884 55.301 ( -2.750 -5.940 0.000) 6.546 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 5.950 7.492 0.000) 9.567 1.185 ( -5.298 20.964 0.000) 21.623 1.278 ( -2.107 4.247 0.000) 4.741 1.588 ( -10.648 4.134 0.000) 11.422 1.704 ( 5.053 -6.259 0.000) 8.044 1.862 ( -2.874 -3.293 0.000) 4.371 1.894 ( 4.775 -2.227 0.000) 5.269 1.971 ( 2.379 8.721 0.000) 9.040 2.199 ( 5.522 -10.194 0.000) 11.593 2.311 ( 7.156 8.786 0.000) 11.332 2.344 ( 4.512 -1.916 0.000) 4.902 2.390 ( -1.646 -0.355 0.000) 1.684 2.746 ( 10.599 -2.646 0.000) 10.924 2.962 ( 0.270 -4.699 0.000) 4.706 3.060 ( -1.631 -0.748 0.000) 1.794 3.102 ( -3.042 -0.324 0.000) 3.059 3.398 ( -8.018 7.632 0.000) 11.070 3.492 ( 1.187 -6.251 0.000) 6.363 3.529 ( -2.103 -0.106 0.000) 2.106 3.560 ( 2.966 -2.913 0.000) 4.157 3.720 ( -4.734 -0.391 0.000) 4.750 3.754 ( -3.565 -0.107 0.000) 3.567 3.797 ( 5.583 -4.759 0.000) 7.336 3.998 ( -3.775 -5.134 0.000) 6.372 9.028 ( 16.909 -1.087 0.000) 16.944 9.071 ( 16.939 -2.357 0.000) 17.102 9.305 ( 1.972 3.839 0.000) 4.315 9.349 ( 2.446 3.238 0.000) 4.058 9.764 ( -1.730 11.205 0.000) 11.338 9.837 ( 0.814 13.152 0.000) 13.177 10.071 ( -15.185 4.780 0.000) 15.920 10.217 ( -13.810 3.883 0.000) 14.346 10.489 ( 0.388 -3.204 0.000) 3.228 10.602 ( -3.425 -5.693 0.000) 6.644 10.633 ( 1.079 -2.473 0.000) 2.698 10.712 ( -2.399 -3.975 0.000) 4.643 20.580 ( 5.468 9.385 0.000) 10.861 20.726 ( 3.201 1.503 0.000) 3.536 20.914 ( -6.154 1.508 0.000) 6.337 20.970 ( -15.307 5.275 0.000) 16.190 21.348 ( 6.724 8.542 0.000) 10.871 21.647 ( -7.870 11.026 0.000) 13.547 21.768 ( 1.541 -5.125 0.000) 5.352 21.884 ( -5.236 3.734 0.000) 6.431 23.072 ( 11.803 -0.865 0.000) 11.834 23.305 ( 16.857 -13.622 0.000) 21.673 23.524 ( -10.349 0.127 0.000) 10.350 23.789 ( -8.697 -10.084 0.000) 13.316 24.272 ( 0.344 1.775 0.000) 1.808 24.297 ( -1.127 1.156 0.000) 1.615 24.414 ( 0.945 -2.323 0.000) 2.508 24.425 ( 0.311 -2.914 0.000) 2.931 24.608 ( 2.067 0.642 0.000) 2.165 24.661 ( -0.627 1.427 0.000) 1.559 24.733 ( 5.096 -3.025 0.000) 5.926 24.806 ( 0.657 -2.083 0.000) 2.184 52.162 ( 3.763 6.609 0.000) 7.605 52.275 ( -0.061 3.767 0.000) 3.767 52.360 ( 2.328 0.770 0.000) 2.452 52.400 ( 1.321 7.360 0.000) 7.477 52.417 ( -4.539 2.764 0.000) 5.314 52.671 ( -11.206 5.495 0.000) 12.481 52.853 ( 0.079 -1.278 0.000) 1.280 52.906 ( -2.191 -6.899 0.000) 7.238 53.742 ( 3.638 0.799 0.000) 3.725 53.868 ( -2.727 1.492 0.000) 3.109 53.914 ( 5.455 -4.607 0.000) 7.140 54.006 ( -0.419 -2.298 0.000) 2.336 54.625 ( 6.389 2.991 0.000) 7.055 54.902 ( -6.785 2.940 0.000) 7.395 54.918 ( 9.346 -7.173 0.000) 11.781 55.221 ( -5.632 -7.042 0.000) 9.017 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.093 12.389 0.000) 12.389 1.140 ( 0.093 12.389 0.000) 12.389 1.382 ( -10.252 6.628 0.000) 12.208 1.382 ( 10.252 6.628 0.000) 12.208 1.791 ( -4.254 -5.802 0.000) 7.195 1.791 ( 4.254 -5.802 0.000) 7.195 1.973 ( -2.520 6.039 0.000) 6.544 1.973 ( 2.520 6.039 0.000) 6.544 2.310 ( -5.462 -8.242 0.000) 9.888 2.310 ( 5.462 -8.242 0.000) 9.888 2.380 ( -0.370 0.852 0.000) 0.929 2.380 ( 0.370 0.852 0.000) 0.929 2.975 ( -10.451 4.902 0.000) 11.544 2.975 ( 10.451 4.902 0.000) 11.544 3.011 ( -4.567 -3.127 0.000) 5.535 3.011 ( 4.567 -3.127 0.000) 5.535 3.352 ( -5.219 -0.761 0.000) 5.274 3.352 ( 5.219 -0.761 0.000) 5.274 3.623 ( -5.624 -2.165 0.000) 6.027 3.623 ( 5.624 -2.165 0.000) 6.027 3.667 ( -5.479 -0.000 0.000) 5.479 3.667 ( 5.479 -0.000 0.000) 5.479 3.906 ( -5.610 -5.480 0.000) 7.842 3.906 ( 5.610 -5.480 0.000) 7.842 9.279 ( -6.851 1.707 0.000) 7.060 9.279 ( 6.851 1.707 0.000) 7.060 9.326 ( -7.246 -0.176 0.000) 7.248 9.326 ( 7.246 -0.176 0.000) 7.248 9.810 ( -8.947 8.786 0.000) 12.539 9.810 ( 8.947 8.786 0.000) 12.539 9.944 ( -11.545 7.933 0.000) 14.008 9.944 ( 11.545 7.933 0.000) 14.008 10.534 ( -3.429 -4.128 0.000) 5.366 10.534 ( 3.429 -4.128 0.000) 5.366 10.666 ( -2.262 -3.209 0.000) 3.926 10.666 ( 2.262 -3.209 0.000) 3.926 20.726 ( -10.139 8.946 0.000) 13.521 20.726 ( 10.139 8.946 0.000) 13.521 20.805 ( -5.082 1.354 0.000) 5.259 20.805 ( 5.082 1.354 0.000) 5.259 21.492 ( -8.148 9.513 0.000) 12.525 21.492 ( 8.148 9.513 0.000) 12.525 21.809 ( -2.912 -1.442 0.000) 3.249 21.809 ( 2.912 -1.442 0.000) 3.249 23.305 ( -12.320 -0.029 0.000) 12.320 23.305 ( 12.320 -0.029 0.000) 12.320 23.586 ( -12.692 -12.320 0.000) 17.688 23.586 ( 12.692 -12.320 0.000) 17.688 24.280 ( -0.622 1.567 0.000) 1.686 24.280 ( 0.622 1.567 0.000) 1.686 24.426 ( -0.286 -2.797 0.000) 2.811 24.426 ( 0.286 -2.797 0.000) 2.811 24.642 ( -1.419 1.308 0.000) 1.929 24.642 ( 1.419 1.308 0.000) 1.929 24.799 ( -1.738 -2.919 0.000) 3.397 24.799 ( 1.738 -2.919 0.000) 3.397 52.240 ( -3.812 5.567 0.000) 6.747 52.240 ( 3.812 5.567 0.000) 6.747 52.364 ( -0.451 4.779 0.000) 4.800 52.364 ( 0.451 4.779 0.000) 4.800 52.498 ( -7.307 4.320 0.000) 8.489 52.498 ( 7.307 4.320 0.000) 8.489 52.869 ( -1.552 -4.846 0.000) 5.088 52.869 ( 1.552 -4.846 0.000) 5.088 53.810 ( -3.389 1.433 0.000) 3.680 53.810 ( 3.389 1.433 0.000) 3.680 53.983 ( -2.152 -3.445 0.000) 4.062 53.983 ( 2.152 -3.445 0.000) 4.062 54.761 ( -7.644 3.008 0.000) 8.214 54.761 ( 7.644 3.008 0.000) 8.214 55.089 ( -8.221 -7.875 0.000) 11.384 55.089 ( 8.221 -7.875 0.000) 11.384 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 7.609 0.000) 7.609 1.280 ( 0.000 -7.208 0.000) 7.208 1.481 ( 0.000 1.655 0.000) 1.655 1.604 ( 0.000 -8.656 0.000) 8.656 1.884 ( 0.000 3.812 0.000) 3.812 1.892 ( 0.000 0.535 0.000) 0.535 1.967 ( 0.000 6.851 0.000) 6.851 1.977 ( 0.000 11.019 0.000) 11.019 1.997 ( 0.000 -0.214 0.000) 0.214 2.044 ( 0.000 -5.045 0.000) 5.045 2.261 ( 0.000 -0.379 0.000) 0.379 2.292 ( 0.000 13.217 0.000) 13.217 2.632 ( 0.000 -5.401 0.000) 5.401 2.636 ( 0.000 -15.942 0.000) 15.942 3.138 ( 0.000 1.395 0.000) 1.395 3.164 ( 0.000 -0.819 0.000) 0.819 3.404 ( 0.000 6.489 0.000) 6.489 3.460 ( 0.000 3.916 0.000) 3.916 3.556 ( 0.000 -4.883 0.000) 4.883 3.593 ( 0.000 -9.893 0.000) 9.893 3.690 ( 0.000 4.570 0.000) 4.570 3.771 ( 0.000 -3.177 0.000) 3.177 3.927 ( 0.000 3.172 0.000) 3.172 3.985 ( 0.000 -2.684 0.000) 2.684 8.605 ( 0.000 -0.503 0.000) 0.503 8.612 ( 0.000 -1.165 0.000) 1.165 9.295 ( 0.000 1.832 0.000) 1.832 9.309 ( 0.000 0.657 0.000) 0.657 10.059 ( 0.000 9.265 0.000) 9.265 10.118 ( 0.000 6.125 0.000) 6.125 10.417 ( 0.000 3.407 0.000) 3.407 10.434 ( 0.000 2.074 0.000) 2.074 10.552 ( 0.000 -2.246 0.000) 2.246 10.601 ( 0.000 -2.198 0.000) 2.198 10.604 ( 0.000 -2.374 0.000) 2.374 10.634 ( 0.000 -7.440 0.000) 7.440 20.629 ( 0.000 4.791 0.000) 4.791 20.684 ( 0.000 -0.699 0.000) 0.699 21.144 ( 0.000 4.585 0.000) 4.585 21.258 ( 0.000 -6.411 0.000) 6.411 21.386 ( 0.000 8.893 0.000) 8.893 21.569 ( 0.000 -8.767 0.000) 8.767 22.074 ( 0.000 9.675 0.000) 9.675 22.227 ( 0.000 -5.381 0.000) 5.381 22.627 ( 0.000 5.889 0.000) 5.889 22.754 ( 0.000 -5.962 0.000) 5.962 23.757 ( 0.000 1.824 0.000) 1.824 23.825 ( 0.000 -4.855 0.000) 4.855 24.307 ( 0.000 2.310 0.000) 2.310 24.352 ( 0.000 -0.131 0.000) 0.131 24.353 ( 0.000 -0.166 0.000) 0.166 24.357 ( 0.000 -2.574 0.000) 2.574 24.538 ( 0.000 0.046 0.000) 0.046 24.547 ( 0.000 -0.881 0.000) 0.881 24.700 ( 0.000 1.807 0.000) 1.807 24.742 ( 0.000 -2.061 0.000) 2.061 52.197 ( 0.000 4.295 0.000) 4.295 52.261 ( 0.000 -1.884 0.000) 1.884 52.345 ( 0.000 4.386 0.000) 4.386 52.438 ( 0.000 -4.448 0.000) 4.448 52.591 ( 0.000 8.863 0.000) 8.863 52.778 ( 0.000 -9.111 0.000) 9.111 52.975 ( 0.000 4.526 0.000) 4.526 53.057 ( 0.000 -3.464 0.000) 3.464 53.624 ( 0.000 0.409 0.000) 0.409 53.636 ( 0.000 -0.698 0.000) 0.698 53.954 ( 0.000 1.099 0.000) 1.099 53.976 ( 0.000 -1.072 0.000) 1.072 54.561 ( 0.000 3.213 0.000) 3.213 54.628 ( 0.000 -3.184 0.000) 3.184 55.118 ( 0.000 4.169 0.000) 4.169 55.215 ( 0.000 -5.203 0.000) 5.203 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 4.008 7.847 0.000) 8.811 1.317 ( 3.568 -4.336 0.000) 5.615 1.503 ( 2.763 1.267 0.000) 3.040 1.638 ( 3.366 -9.175 0.000) 9.773 1.815 ( -8.783 8.987 0.000) 12.566 1.829 ( -6.535 14.682 0.000) 16.071 1.871 ( -3.371 -1.958 0.000) 3.898 2.038 ( 3.647 0.282 0.000) 3.658 2.055 ( 3.749 3.678 0.000) 5.252 2.105 ( 6.570 -5.499 0.000) 8.568 2.227 ( 1.115 -2.807 0.000) 3.020 2.355 ( -2.806 -8.849 0.000) 9.284 2.612 ( 10.128 8.740 0.000) 13.378 2.820 ( 9.219 -7.508 0.000) 11.889 3.112 ( -2.607 1.395 0.000) 2.956 3.141 ( -2.380 -1.123 0.000) 2.632 3.358 ( -2.096 2.822 0.000) 3.515 3.490 ( -3.992 -6.862 0.000) 7.939 3.534 ( 3.565 2.731 0.000) 4.491 3.632 ( 3.343 -5.094 0.000) 6.092 3.661 ( -3.344 5.019 0.000) 6.031 3.746 ( -2.714 -3.369 0.000) 4.326 3.885 ( -3.778 3.922 0.000) 5.446 3.964 ( -2.376 -3.700 0.000) 4.397 8.722 ( 11.876 -0.226 0.000) 11.878 8.734 ( 12.187 -1.362 0.000) 12.263 9.319 ( 2.371 2.018 0.000) 3.113 9.337 ( 2.610 0.501 0.000) 2.658 10.033 ( -2.629 8.955 0.000) 9.333 10.091 ( -2.609 5.622 0.000) 6.197 10.386 ( -6.082 4.529 0.000) 7.584 10.428 ( 0.785 3.283 0.000) 3.375 10.511 ( -9.335 -2.382 0.000) 9.634 10.543 ( -0.917 -1.748 0.000) 1.973 10.563 ( -2.418 -4.417 0.000) 5.035 10.624 ( -1.003 -7.113 0.000) 7.183 20.650 ( 2.229 4.583 0.000) 5.096 20.700 ( 1.635 -0.449 0.000) 1.696 21.084 ( -5.665 3.866 0.000) 6.859 21.176 ( -7.869 -4.787 0.000) 9.210 21.419 ( 3.473 8.439 0.000) 9.125 21.590 ( 2.174 -8.046 0.000) 8.335 22.004 ( -6.870 8.572 0.000) 10.985 22.107 ( -9.410 -0.919 0.000) 9.455 22.797 ( 13.972 0.196 0.000) 13.973 22.852 ( 9.840 -4.354 0.000) 10.760 23.701 ( -5.778 2.007 0.000) 6.116 23.773 ( -5.370 -5.149 0.000) 7.440 24.309 ( 0.229 2.307 0.000) 2.318 24.338 ( -0.750 0.940 0.000) 1.203 24.360 ( 0.309 -2.634 0.000) 2.652 24.362 ( 0.339 -1.319 0.000) 1.362 24.570 ( 2.877 0.455 0.000) 2.913 24.589 ( 4.057 -1.375 0.000) 4.283 24.702 ( 0.089 1.973 0.000) 1.975 24.747 ( 0.481 -2.294 0.000) 2.343 52.219 ( 2.235 4.391 0.000) 4.927 52.285 ( 2.411 -1.962 0.000) 3.108 52.349 ( 0.384 4.239 0.000) 4.256 52.434 ( -0.432 -3.760 0.000) 3.785 52.582 ( -0.786 8.867 0.000) 8.902 52.768 ( -0.980 -8.939 0.000) 8.993 52.922 ( -4.908 2.360 0.000) 5.446 52.951 ( -9.276 -0.308 0.000) 9.281 53.682 ( 4.251 0.576 0.000) 4.290 53.706 ( 6.762 -1.911 0.000) 7.027 53.941 ( -1.270 1.519 0.000) 1.980 53.973 ( -0.441 -1.569 0.000) 1.630 54.597 ( 3.739 3.503 0.000) 5.124 54.673 ( 4.621 -3.854 0.000) 6.017 55.081 ( -3.811 4.302 0.000) 5.747 55.182 ( -3.466 -5.453 0.000) 6.461 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 7.124 9.604 0.000) 11.958 1.407 ( 5.869 3.929 0.000) 7.063 1.576 ( 4.323 -2.572 0.000) 5.030 1.624 ( -10.009 17.547 0.000) 20.201 1.694 ( -8.022 8.719 0.000) 11.848 1.739 ( 7.462 -12.274 0.000) 14.364 1.778 ( -5.913 -4.056 0.000) 7.170 2.060 ( -5.383 -11.889 0.000) 13.051 2.125 ( 5.234 4.273 0.000) 6.757 2.223 ( 0.130 2.189 0.000) 2.193 2.260 ( 8.281 -6.664 0.000) 10.630 2.359 ( 2.813 -5.361 0.000) 6.054 2.857 ( 12.316 8.547 0.000) 14.991 2.945 ( 3.969 0.377 0.000) 3.987 3.052 ( -3.382 0.796 0.000) 3.475 3.082 ( -3.367 -1.548 0.000) 3.706 3.375 ( 1.108 -3.957 0.000) 4.110 3.393 ( -0.507 -5.957 0.000) 5.979 3.553 ( -7.982 6.628 0.000) 10.375 3.626 ( 5.161 4.105 0.000) 6.594 3.663 ( -5.976 -4.180 0.000) 7.293 3.711 ( 4.777 -4.047 0.000) 6.261 3.806 ( -4.276 3.916 0.000) 5.798 3.897 ( -4.424 -4.727 0.000) 6.474 9.017 ( 17.542 0.064 0.000) 17.542 9.032 ( 17.503 -1.366 0.000) 17.556 9.364 ( 1.297 1.925 0.000) 2.321 9.383 ( 1.147 0.184 0.000) 1.162 9.975 ( -2.661 8.346 0.000) 8.759 10.038 ( -2.100 4.083 0.000) 4.591 10.187 ( -13.065 5.978 0.000) 14.367 10.277 ( -13.861 -0.749 0.000) 13.881 10.452 ( 1.567 1.884 0.000) 2.450 10.518 ( -1.599 -0.533 0.000) 1.685 10.548 ( 0.533 -5.367 0.000) 5.393 10.599 ( -1.529 -6.342 0.000) 6.524 20.716 ( 4.759 3.783 0.000) 6.080 20.748 ( 3.523 0.215 0.000) 3.530 20.957 ( -7.034 2.452 0.000) 7.449 21.000 ( -9.658 -1.168 0.000) 9.728 21.515 ( 6.618 7.461 0.000) 9.973 21.654 ( 4.631 -6.004 0.000) 7.582 21.842 ( -9.437 7.255 0.000) 11.904 21.926 ( -9.235 -0.645 0.000) 9.257 23.060 ( 13.642 0.240 0.000) 13.644 23.111 ( 15.619 -5.439 0.000) 16.539 23.545 ( -10.347 2.181 0.000) 10.574 23.625 ( -10.123 -5.782 0.000) 11.658 24.314 ( 0.246 2.317 0.000) 2.330 24.326 ( -0.493 1.721 0.000) 1.790 24.367 ( 0.271 -2.740 0.000) 2.754 24.367 ( 0.210 -2.181 0.000) 2.191 24.631 ( 3.130 1.588 0.000) 3.509 24.674 ( 4.231 -2.575 0.000) 4.953 24.699 ( -0.462 2.275 0.000) 2.321 24.753 ( -0.090 -2.795 0.000) 2.796 52.276 ( 3.555 4.457 0.000) 5.701 52.344 ( 3.474 -2.091 0.000) 4.054 52.356 ( 0.144 3.887 0.000) 3.890 52.421 ( -1.025 -1.922 0.000) 2.178 52.572 ( 0.262 8.731 0.000) 8.735 52.749 ( -0.719 -8.233 0.000) 8.264 52.765 ( -9.373 3.558 0.000) 10.025 52.821 ( -4.941 -1.975 0.000) 5.321 53.771 ( 4.713 2.093 0.000) 5.157 53.829 ( 5.555 -3.502 0.000) 6.567 53.907 ( -2.336 2.174 0.000) 3.191 53.955 ( -1.516 -2.477 0.000) 2.904 54.698 ( 6.691 4.069 0.000) 7.831 54.793 ( 7.634 -5.183 0.000) 9.227 54.979 ( -6.648 4.512 0.000) 8.035 55.087 ( -6.410 -5.919 0.000) 8.725 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -8.900 13.828 0.000) 16.445 1.444 ( 8.900 13.828 0.000) 16.445 1.539 ( -7.872 8.687 0.000) 11.723 1.539 ( 7.872 8.687 0.000) 11.723 1.666 ( -5.417 -4.402 0.000) 6.980 1.666 ( 5.417 -4.402 0.000) 6.980 1.905 ( -9.254 -16.666 0.000) 19.063 1.905 ( 9.254 -16.666 0.000) 19.063 2.210 ( -2.836 7.358 0.000) 7.886 2.210 ( 2.836 7.358 0.000) 7.886 2.370 ( -2.551 -5.423 0.000) 5.993 2.370 ( 2.551 -5.423 0.000) 5.993 2.987 ( -3.403 1.385 0.000) 3.674 2.987 ( 3.403 1.385 0.000) 3.674 3.027 ( -3.303 -0.856 0.000) 3.412 3.027 ( 3.303 -0.856 0.000) 3.412 3.394 ( -6.483 5.309 0.000) 8.380 3.394 ( 6.483 5.309 0.000) 8.380 3.525 ( -8.253 -6.247 0.000) 10.351 3.525 ( 8.253 -6.247 0.000) 10.351 3.721 ( -4.744 3.725 0.000) 6.032 3.721 ( 4.744 3.725 0.000) 6.032 3.806 ( -5.033 -4.437 0.000) 6.710 3.806 ( 5.033 -4.437 0.000) 6.710 9.301 ( -9.749 0.704 0.000) 9.775 9.301 ( 9.749 0.704 0.000) 9.775 9.315 ( -9.928 -0.688 0.000) 9.952 9.315 ( 9.928 -0.688 0.000) 9.952 9.986 ( -5.641 7.459 0.000) 9.352 9.986 ( 5.641 7.459 0.000) 9.352 10.064 ( -6.398 1.465 0.000) 6.564 10.064 ( 6.398 1.465 0.000) 6.564 10.485 ( -1.846 0.860 0.000) 2.036 10.485 ( 1.846 0.860 0.000) 2.036 10.569 ( -1.453 -5.639 0.000) 5.823 10.569 ( 1.453 -5.639 0.000) 5.823 20.832 ( -7.014 1.863 0.000) 7.257 20.832 ( 7.014 1.863 0.000) 7.257 20.836 ( -6.193 1.284 0.000) 6.325 20.836 ( 6.193 1.284 0.000) 6.325 21.665 ( -8.873 6.837 0.000) 11.202 21.665 ( 8.873 6.837 0.000) 11.202 21.767 ( -7.266 -3.151 0.000) 7.920 21.767 ( 7.266 -3.151 0.000) 7.920 23.319 ( -13.168 1.728 0.000) 13.281 23.319 ( 13.168 1.728 0.000) 13.281 23.395 ( -13.827 -6.174 0.000) 15.143 23.395 ( 13.827 -6.174 0.000) 15.143 24.319 ( -0.304 2.177 0.000) 2.198 24.319 ( 0.304 2.177 0.000) 2.198 24.369 ( -0.005 -2.647 0.000) 2.647 24.369 ( 0.005 -2.647 0.000) 2.647 24.679 ( -1.802 2.267 0.000) 2.896 24.679 ( 1.802 2.267 0.000) 2.896 24.735 ( -2.020 -3.071 0.000) 3.676 24.735 ( 2.020 -3.071 0.000) 3.676 52.338 ( -2.407 3.989 0.000) 4.659 52.338 ( 2.407 3.989 0.000) 4.659 52.396 ( -1.718 -1.225 0.000) 2.110 52.396 ( 1.718 -1.225 0.000) 2.110 52.620 ( -5.296 6.779 0.000) 8.602 52.620 ( 5.296 6.779 0.000) 8.602 52.755 ( -1.739 -6.113 0.000) 6.355 52.755 ( 1.739 -6.113 0.000) 6.355 53.851 ( -3.568 2.514 0.000) 4.365 53.851 ( 3.568 2.514 0.000) 4.365 53.912 ( -3.204 -3.304 0.000) 4.603 53.912 ( 3.204 -3.304 0.000) 4.603 54.839 ( -7.757 4.475 0.000) 8.955 54.839 ( 7.757 4.475 0.000) 8.955 54.946 ( -8.095 -5.987 0.000) 10.068 54.946 ( 8.095 -5.987 0.000) 10.068 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 0.000 0.000 14.959) 14.959 0.378 ( 0.000 0.000 18.272) 18.272 0.744 ( 0.000 0.000 35.556) 35.556 1.528 ( 0.000 0.000 -2.368) 2.368 1.578 ( 0.000 0.000 -8.882) 8.882 1.908 ( 0.000 0.000 5.326) 5.326 1.941 ( 0.000 0.000 5.678) 5.678 1.968 ( 0.000 0.000 10.323) 10.323 2.062 ( 0.000 0.000 5.656) 5.656 2.247 ( 0.000 0.000 -0.600) 0.600 2.622 ( 0.000 0.000 1.581) 1.581 2.626 ( 0.000 0.000 -0.418) 0.418 2.807 ( 0.000 0.000 -0.993) 0.993 2.817 ( 0.000 0.000 -4.135) 4.135 2.913 ( 0.000 0.000 6.897) 6.897 3.064 ( 0.000 0.000 7.105) 7.105 3.191 ( 0.000 0.000 -9.560) 9.560 3.572 ( 0.000 0.000 -2.378) 2.378 3.584 ( 0.000 0.000 -1.707) 1.707 3.758 ( 0.000 0.000 7.338) 7.338 3.765 ( 0.000 0.000 -6.682) 6.682 3.828 ( 0.000 0.000 -3.943) 3.943 4.038 ( 0.000 0.000 -5.134) 5.134 4.286 ( 0.000 0.000 -2.373) 2.373 8.732 ( 0.000 0.000 -3.254) 3.254 8.760 ( 0.000 0.000 -2.908) 2.908 8.989 ( 0.000 0.000 2.175) 2.175 9.053 ( 0.000 0.000 -0.954) 0.954 9.267 ( 0.000 0.000 8.921) 8.921 9.311 ( 0.000 0.000 -2.088) 2.088 10.362 ( 0.000 0.000 -13.928) 13.928 10.417 ( 0.000 0.000 -0.038) 0.038 10.428 ( 0.000 0.000 -0.603) 0.603 10.609 ( 0.000 0.000 -1.695) 1.695 10.803 ( 0.000 0.000 2.606) 2.606 11.052 ( 0.000 0.000 6.198) 6.198 19.893 ( 0.000 0.000 2.031) 2.031 20.045 ( 0.000 0.000 0.583) 0.583 20.940 ( 0.000 0.000 -0.329) 0.329 21.099 ( 0.000 0.000 -2.160) 2.160 21.221 ( 0.000 0.000 2.536) 2.536 21.650 ( 0.000 0.000 -2.599) 2.599 22.038 ( 0.000 0.000 2.779) 2.779 22.430 ( 0.000 0.000 2.627) 2.627 22.629 ( 0.000 0.000 -1.921) 1.921 22.814 ( 0.000 0.000 -2.421) 2.421 23.838 ( 0.000 0.000 1.824) 1.824 24.327 ( 0.000 0.000 -3.491) 3.491 24.403 ( 0.000 0.000 1.730) 1.730 24.460 ( 0.000 0.000 0.366) 0.366 24.500 ( 0.000 0.000 0.027) 0.027 24.545 ( 0.000 0.000 -0.872) 0.872 24.596 ( 0.000 0.000 0.668) 0.668 24.601 ( 0.000 0.000 -0.852) 0.852 24.610 ( 0.000 0.000 0.104) 0.104 24.693 ( 0.000 0.000 -1.543) 1.543 51.774 ( 0.000 0.000 1.677) 1.677 51.814 ( 0.000 0.000 1.271) 1.271 52.157 ( 0.000 0.000 -1.009) 1.009 52.184 ( 0.000 0.000 -1.299) 1.299 52.626 ( 0.000 0.000 -0.307) 0.307 52.637 ( 0.000 0.000 -0.268) 0.268 53.250 ( 0.000 0.000 0.549) 0.549 53.315 ( 0.000 0.000 -0.206) 0.206 53.623 ( 0.000 0.000 0.835) 0.835 53.695 ( 0.000 0.000 -0.137) 0.137 53.916 ( 0.000 0.000 0.782) 0.782 54.129 ( 0.000 0.000 -1.357) 1.357 54.422 ( 0.000 0.000 1.360) 1.360 54.737 ( 0.000 0.000 -3.729) 3.729 55.050 ( 0.000 0.000 4.903) 4.903 55.643 ( 0.000 0.000 -3.048) 3.048 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 18.486 0.000 8.050) 20.163 0.613 ( 17.394 0.000 13.272) 21.879 0.913 ( 17.319 0.000 25.413) 30.753 1.578 ( 5.005 0.000 -1.222) 5.152 1.596 ( 1.301 0.000 -8.522) 8.621 1.823 ( -9.235 0.000 7.992) 12.213 1.886 ( -5.541 0.000 4.988) 7.455 1.937 ( 1.652 0.000 5.879) 6.107 2.127 ( 2.626 0.000 7.069) 7.541 2.153 ( -7.904 0.000 -0.727) 7.938 2.456 ( -12.353 0.000 2.954) 12.701 2.604 ( -4.613 0.000 -0.224) 4.619 2.821 ( 1.980 0.000 -2.332) 3.060 2.921 ( 8.275 0.000 -1.240) 8.368 3.034 ( 5.809 0.000 -2.143) 6.192 3.054 ( -0.624 0.000 6.257) 6.288 3.236 ( 3.377 0.000 -5.884) 6.784 3.552 ( -3.312 0.000 -1.683) 3.716 3.578 ( 0.372 0.000 -2.175) 2.206 3.643 ( -7.278 0.000 3.219) 7.958 3.757 ( -0.215 0.000 5.183) 5.188 3.786 ( 0.476 0.000 -4.843) 4.867 4.140 ( 5.322 0.000 -7.384) 9.102 4.295 ( 0.582 0.000 -2.340) 2.411 8.837 ( 11.451 0.000 -2.721) 11.770 8.909 ( 14.292 0.000 -2.934) 14.590 9.003 ( 1.313 0.000 2.046) 2.431 9.061 ( 0.704 0.000 -1.009) 1.230 9.261 ( -0.496 0.000 8.270) 8.285 9.308 ( -0.435 0.000 -1.034) 1.122 10.298 ( -11.710 0.000 0.360) 11.715 10.371 ( 0.891 0.000 -13.507) 13.536 10.437 ( 0.795 0.000 -2.981) 3.085 10.494 ( -11.873 0.000 -1.660) 11.989 10.802 ( 0.086 0.000 3.968) 3.969 11.027 ( -2.539 0.000 6.570) 7.044 19.902 ( 0.987 0.000 1.951) 2.186 20.034 ( -1.117 0.000 0.704) 1.321 20.950 ( 0.980 0.000 -0.471) 1.088 21.087 ( -1.229 0.000 -2.048) 2.389 21.173 ( -4.710 0.000 4.068) 6.224 21.258 ( -33.665 0.000 37.881) 50.679 21.686 ( 3.405 0.000 -2.743) 4.373 22.017 ( -2.498 0.000 1.849) 3.108 22.890 ( 7.745 0.000 -1.569) 7.902 23.719 ( 18.360 0.000 -20.889) 27.811 23.778 ( 4.819 0.000 -7.812) 9.179 24.291 ( -3.160 0.000 -2.622) 4.107 24.422 ( 2.283 0.000 1.967) 3.013 24.503 ( 0.374 0.000 0.007) 0.374 24.530 ( 4.605 0.000 -4.038) 6.124 24.549 ( 0.267 0.000 -0.977) 1.013 24.592 ( -0.285 0.000 0.780) 0.831 24.598 ( -0.007 0.000 -1.256) 1.256 24.610 ( -0.052 0.000 0.100) 0.113 24.707 ( 1.087 0.000 -4.153) 4.293 51.777 ( 0.258 0.000 1.652) 1.672 51.811 ( -0.290 0.000 1.301) 1.333 52.159 ( 0.197 0.000 -1.032) 1.050 52.182 ( -0.168 0.000 -1.282) 1.293 52.504 ( -7.109 0.000 4.101) 8.207 52.689 ( -20.990 0.000 19.841) 28.883 52.753 ( 6.326 0.000 -0.722) 6.367 53.214 ( -3.657 0.000 0.118) 3.659 53.709 ( 1.544 0.000 -0.053) 1.545 53.859 ( 0.263 0.000 -2.649) 2.662 54.005 ( 6.065 0.000 -2.631) 6.611 54.117 ( -0.803 0.000 -1.351) 1.572 54.460 ( 3.913 0.000 1.192) 4.091 54.869 ( 0.777 0.000 -7.968) 8.005 55.219 ( 14.380 0.000 -6.740) 15.881 55.612 ( -2.602 0.000 -1.823) 3.178 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 20.009 0.000 3.697) 20.347 0.933 ( 16.439 0.000 12.932) 20.916 1.324 ( 23.230 0.000 10.742) 25.594 1.523 ( -12.313 0.000 8.295) 14.847 1.550 ( -9.342 0.000 -3.571) 10.002 1.802 ( 0.144 0.000 0.301) 0.334 1.821 ( 9.491 0.000 -0.830) 9.528 1.972 ( 1.204 0.000 5.928) 6.049 2.004 ( -7.354 0.000 -1.467) 7.498 2.136 ( -1.832 0.000 6.532) 6.784 2.194 ( -13.097 0.000 5.014) 14.024 2.445 ( -11.664 0.000 0.564) 11.678 2.872 ( 3.247 0.000 0.158) 3.251 2.990 ( -1.847 0.000 4.570) 4.929 3.110 ( 3.368 0.000 -1.672) 3.760 3.136 ( 9.418 0.000 -0.801) 9.452 3.241 ( -2.629 0.000 0.159) 2.634 3.460 ( -6.358 0.000 -1.610) 6.558 3.591 ( 1.833 0.000 -3.712) 4.140 3.609 ( 0.800 0.000 -3.108) 3.210 3.758 ( 0.452 0.000 4.176) 4.200 3.792 ( -0.158 0.000 -3.139) 3.143 4.224 ( 3.607 0.000 -5.230) 6.353 4.299 ( -0.390 0.000 -2.598) 2.627 9.034 ( 1.781 0.000 1.575) 2.378 9.072 ( 0.253 0.000 -0.690) 0.735 9.150 ( 20.545 0.000 -1.786) 20.623 9.256 ( 0.141 0.000 6.670) 6.671 9.267 ( 22.566 0.000 -2.388) 22.692 9.293 ( -1.087 0.000 1.168) 1.595 9.995 ( -19.719 0.000 -0.293) 19.721 10.175 ( -20.994 0.000 -1.638) 21.058 10.395 ( 1.649 0.000 -12.811) 12.916 10.446 ( -0.164 0.000 -8.052) 8.054 10.818 ( 1.968 0.000 6.951) 7.224 10.961 ( -4.224 0.000 7.507) 8.614 19.929 ( 1.754 0.000 1.724) 2.459 20.005 ( -1.883 0.000 1.011) 2.138 20.958 ( -4.142 0.000 22.248) 22.630 20.976 ( 1.771 0.000 -0.839) 1.960 21.055 ( -2.020 0.000 -1.740) 2.666 21.070 ( -5.925 0.000 7.268) 9.377 21.769 ( 5.000 0.000 -2.786) 5.724 21.954 ( -4.069 0.000 -0.505) 4.101 23.084 ( 12.070 0.000 0.104) 12.071 23.568 ( -11.664 0.000 1.811) 11.804 24.047 ( 7.927 0.000 -14.263) 16.318 24.225 ( -3.643 0.000 -3.603) 5.123 24.472 ( 2.778 0.000 1.260) 3.051 24.515 ( 0.805 0.000 -0.089) 0.810 24.548 ( -0.498 0.000 -0.832) 0.969 24.558 ( -1.165 0.000 -0.321) 1.208 24.591 ( 0.263 0.000 0.677) 0.726 24.607 ( -0.267 0.000 0.122) 0.294 24.633 ( 3.177 0.000 -5.176) 6.073 24.715 ( -0.561 0.000 -6.225) 6.250 51.784 ( 0.457 0.000 1.582) 1.647 51.804 ( -0.489 0.000 1.380) 1.464 52.164 ( 0.329 0.000 -1.090) 1.139 52.178 ( -0.300 0.000 -1.234) 1.270 52.403 ( -2.309 0.000 8.527) 8.834 52.483 ( -5.704 0.000 7.309) 9.272 52.876 ( 6.564 0.000 -1.279) 6.687 53.121 ( -5.828 0.000 -0.682) 5.867 53.747 ( 2.346 0.000 0.339) 2.371 53.836 ( -1.958 0.000 -0.260) 1.975 54.070 ( 1.824 0.000 -1.047) 2.103 54.105 ( -0.576 0.000 -1.337) 1.456 54.561 ( 6.362 0.000 0.776) 6.410 54.810 ( -5.360 0.000 -2.472) 5.902 55.415 ( 6.683 0.000 -6.732) 9.486 55.561 ( -2.658 0.000 -2.133) 3.408 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -15.809 0.000 10.800) 19.146 1.241 ( 15.809 0.000 10.800) 19.146 1.272 ( -17.857 0.000 1.128) 17.893 1.272 ( 17.857 0.000 1.128) 17.893 1.745 ( -19.011 0.000 2.761) 19.211 1.745 ( 19.011 0.000 2.761) 19.211 1.876 ( -5.977 0.000 -2.360) 6.426 1.876 ( 5.977 0.000 -2.360) 6.426 2.035 ( -5.075 0.000 5.959) 7.827 2.035 ( 5.075 0.000 5.959) 7.827 2.208 ( -10.539 0.000 3.354) 11.060 2.208 ( 10.539 0.000 3.354) 11.060 2.937 ( -3.343 0.000 2.919) 4.438 2.937 ( 3.343 0.000 2.919) 4.438 3.177 ( -3.623 0.000 0.306) 3.636 3.177 ( 3.623 0.000 0.306) 3.636 3.314 ( -8.788 0.000 -1.462) 8.909 3.314 ( 8.788 0.000 -1.462) 8.909 3.617 ( -0.412 0.000 -4.984) 5.001 3.617 ( 0.412 0.000 -4.984) 5.001 3.777 ( -1.262 0.000 0.747) 1.467 3.777 ( 1.262 0.000 0.747) 1.467 4.277 ( -1.945 0.000 -3.606) 4.097 4.277 ( 1.945 0.000 -3.606) 4.097 9.064 ( -1.168 0.000 0.545) 1.289 9.064 ( 1.168 0.000 0.545) 1.289 9.270 ( -1.193 0.000 3.931) 4.108 9.270 ( 1.193 0.000 3.931) 4.108 9.577 ( -23.266 0.000 -1.019) 23.288 9.577 ( 23.266 0.000 -1.019) 23.288 9.729 ( -24.928 0.000 -1.862) 24.997 9.729 ( 24.928 0.000 -1.862) 24.997 10.428 ( -1.571 0.000 -11.535) 11.642 10.428 ( 1.571 0.000 -11.535) 11.642 10.878 ( -4.112 0.000 8.216) 9.188 10.878 ( 4.112 0.000 8.216) 9.188 19.966 ( -2.098 0.000 1.387) 2.515 19.966 ( 2.098 0.000 1.387) 2.515 20.971 ( -3.898 0.000 12.644) 13.231 20.971 ( 3.898 0.000 12.644) 13.231 21.015 ( -2.178 0.000 -1.304) 2.539 21.015 ( 2.178 0.000 -1.304) 2.539 21.866 ( -5.052 0.000 -2.129) 5.483 21.866 ( 5.052 0.000 -2.129) 5.483 23.328 ( -13.140 0.000 1.324) 13.207 23.328 ( 13.140 0.000 1.324) 13.207 24.152 ( -4.165 0.000 -6.980) 8.128 24.152 ( 4.165 0.000 -6.980) 8.128 24.522 ( -2.395 0.000 0.652) 2.482 24.522 ( 2.395 0.000 0.652) 2.482 24.533 ( -0.993 0.000 -0.342) 1.050 24.533 ( 0.993 0.000 -0.342) 1.050 24.599 ( -0.500 0.000 0.274) 0.570 24.599 ( 0.500 0.000 0.274) 0.570 24.687 ( -2.266 0.000 -5.812) 6.238 24.687 ( 2.266 0.000 -5.812) 6.238 51.793 ( -0.545 0.000 1.484) 1.581 51.793 ( 0.545 0.000 1.484) 1.581 52.171 ( -0.362 0.000 -1.165) 1.220 52.171 ( 0.362 0.000 -1.165) 1.220 52.408 ( -2.316 0.000 6.418) 6.823 52.408 ( 2.316 0.000 6.418) 6.823 53.002 ( -6.563 0.000 -1.203) 6.673 53.002 ( 6.563 0.000 -1.203) 6.673 53.793 ( -2.425 0.000 0.378) 2.454 53.793 ( 2.425 0.000 0.378) 2.454 54.093 ( -0.778 0.000 -1.024) 1.286 54.093 ( 0.778 0.000 -1.024) 1.286 54.690 ( -6.917 0.000 -0.234) 6.921 54.690 ( 6.917 0.000 -0.234) 6.921 55.506 ( -3.445 0.000 -3.946) 5.238 55.506 ( 3.445 0.000 -3.946) 5.238 ======================= Grid point 70 (25/80) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 14.337 13.389) 19.617 0.613 ( 0.000 18.624 11.028) 21.644 0.934 ( 0.000 18.861 23.491) 30.126 1.544 ( 0.000 3.177 -3.064) 4.414 1.680 ( 0.000 8.663 -8.064) 11.835 1.861 ( 0.000 -4.674 5.271) 7.044 1.944 ( 0.000 -0.052 4.259) 4.260 1.961 ( 0.000 -0.931 8.904) 8.952 2.083 ( 0.000 -11.616 1.868) 11.765 2.092 ( 0.000 2.808 4.935) 5.678 2.424 ( 0.000 -12.220 0.706) 12.240 2.588 ( 0.000 -5.458 0.878) 5.528 2.853 ( 0.000 -3.655 4.783) 6.020 2.929 ( 0.000 8.421 -2.963) 8.927 2.977 ( 0.000 7.685 1.688) 7.869 3.176 ( 0.000 6.268 -4.915) 7.965 3.206 ( 0.000 1.391 -8.128) 8.246 3.528 ( 0.000 -4.687 -1.665) 4.974 3.550 ( 0.000 -3.096 -2.086) 3.733 3.754 ( 0.000 -1.392 -6.113) 6.269 3.775 ( 0.000 1.343 5.561) 5.721 3.816 ( 0.000 -0.831 -3.081) 3.191 4.027 ( 0.000 -1.152 -0.925) 1.477 4.240 ( 0.000 -4.169 -2.298) 4.761 8.682 ( 0.000 -3.773 -5.389) 6.578 8.710 ( 0.000 -3.947 -3.849) 5.513 9.073 ( 0.000 6.873 4.331) 8.124 9.116 ( 0.000 4.588 0.210) 4.592 9.346 ( 0.000 7.347 5.726) 9.315 9.377 ( 0.000 6.133 -2.476) 6.614 10.330 ( 0.000 -1.396 -6.784) 6.926 10.393 ( 0.000 -2.490 -0.497) 2.539 10.461 ( 0.000 3.174 -5.426) 6.286 10.642 ( 0.000 2.191 -0.743) 2.314 10.810 ( 0.000 0.579 1.709) 1.804 11.023 ( 0.000 -2.932 6.277) 6.928 20.112 ( 0.000 6.150 0.076) 6.150 20.219 ( 0.000 17.329 -15.676) 23.367 20.937 ( 0.000 0.106 -1.225) 1.230 21.068 ( 0.000 -1.705 -0.524) 1.784 21.309 ( 0.000 7.008 -0.632) 7.036 21.655 ( 0.000 -0.503 -1.195) 1.296 22.022 ( 0.000 -1.339 4.167) 4.377 22.441 ( 0.000 1.091 2.447) 2.679 22.557 ( 0.000 -5.566 3.367) 6.505 22.825 ( 0.000 1.568 -2.905) 3.301 23.821 ( 0.000 -1.554 1.698) 2.301 24.276 ( 0.000 -5.301 -1.236) 5.443 24.360 ( 0.000 -1.523 0.718) 1.684 24.394 ( 0.000 -0.866 1.153) 1.442 24.405 ( 0.000 -9.912 5.705) 11.437 24.521 ( 0.000 -2.026 -0.433) 2.072 24.582 ( 0.000 -0.750 0.116) 0.758 24.621 ( 0.000 -0.717 -0.314) 0.783 24.623 ( 0.000 1.331 -0.266) 1.358 24.695 ( 0.000 3.893 -1.119) 4.051 51.852 ( 0.000 3.476 0.694) 3.545 51.969 ( 0.000 10.666 -10.742) 15.138 52.181 ( 0.000 2.243 -0.972) 2.445 52.190 ( 0.000 0.821 -0.758) 1.118 52.627 ( 0.000 -1.118 -0.143) 1.127 52.654 ( 0.000 2.447 -1.227) 2.738 53.223 ( 0.000 -2.566 1.195) 2.831 53.286 ( 0.000 -2.103 3.880) 4.413 53.623 ( 0.000 0.032 0.818) 0.818 53.689 ( 0.000 -0.487 -0.044) 0.489 53.917 ( 0.000 0.116 0.732) 0.741 54.071 ( 0.000 -3.186 1.534) 3.536 54.430 ( 0.000 0.879 1.260) 1.536 54.731 ( 0.000 -0.606 -3.398) 3.452 55.047 ( 0.000 -0.224 4.553) 4.558 55.553 ( 0.000 -5.584 0.680) 5.625 ======================= Grid point 71 (26/80) ======================= q-point: ( 0.17 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 6.692 9.660 10.852) 15.996 0.771 ( 10.726 8.437 18.273) 22.806 1.153 ( 18.710 19.878 11.699) 29.700 1.595 ( 4.152 3.053 -2.960) 5.943 1.678 ( -2.101 4.100 -5.478) 7.158 1.784 ( -9.841 -2.605 4.573) 11.159 1.861 ( -0.285 -4.032 5.503) 6.828 1.951 ( -2.390 2.756 6.690) 7.620 2.060 ( -1.965 -4.775 1.104) 5.280 2.124 ( 1.840 -0.272 5.507) 5.813 2.382 ( -5.759 -6.728 2.524) 9.209 2.593 ( 0.234 -3.043 0.041) 3.052 2.921 ( 0.941 6.147 -2.560) 6.725 2.935 ( 4.940 -2.285 4.424) 7.014 2.976 ( 0.517 2.887 -1.509) 3.298 3.171 ( -0.783 6.005 -4.259) 7.404 3.254 ( 3.829 0.877 -5.035) 6.386 3.470 ( -4.141 -6.050 -1.971) 7.591 3.590 ( 2.327 -1.437 -1.501) 3.120 3.692 ( -6.668 3.720 0.421) 7.647 3.762 ( -0.723 -0.095 2.824) 2.916 3.784 ( -0.762 0.407 -2.971) 3.094 4.056 ( 2.992 -6.496 -3.200) 7.836 4.246 ( 0.154 -4.442 -2.009) 4.878 8.783 ( 10.666 -3.787 -4.694) 12.253 8.846 ( 12.648 -4.445 -4.129) 14.028 9.094 ( 2.251 7.048 4.328) 8.572 9.135 ( 2.230 5.163 0.222) 5.629 9.334 ( -0.957 7.068 5.734) 9.151 9.373 ( -0.366 6.069 -1.383) 6.235 10.266 ( -8.727 -1.478 -1.828) 9.038 10.371 ( -3.872 -3.399 -2.487) 5.721 10.426 ( -1.564 3.594 -10.388) 11.103 10.561 ( -6.800 3.578 -0.664) 7.713 10.805 ( -0.276 0.211 3.006) 3.026 10.999 ( -2.390 -2.787 6.615) 7.565 20.106 ( -0.537 6.688 -0.054) 6.710 20.191 ( -2.769 17.979 -12.688) 22.178 20.930 ( -1.131 -0.694 -0.073) 1.329 21.041 ( -2.793 -2.327 0.189) 3.640 21.277 ( -3.058 7.558 0.256) 8.157 21.421 ( -32.747 11.269 28.398) 44.786 21.708 ( 1.276 3.376 -1.756) 4.014 22.001 ( -2.370 -1.409 3.098) 4.147 22.895 ( 7.609 0.327 -1.406) 7.745 23.535 ( 34.751 -17.201 -20.684) 43.947 23.746 ( -7.198 -1.471 1.733) 7.548 24.267 ( -1.969 -4.073 -3.788) 5.901 24.327 ( -0.991 -4.173 4.639) 6.317 24.382 ( -1.190 -8.464 2.871) 9.016 24.440 ( 2.313 -2.592 -0.539) 3.516 24.532 ( 0.405 -2.559 0.008) 2.591 24.590 ( 0.465 -0.125 -0.355) 0.598 24.624 ( 0.051 1.306 0.011) 1.307 24.676 ( 4.789 1.555 -1.949) 5.399 24.716 ( 2.290 2.667 -1.482) 3.815 51.852 ( 0.070 3.769 0.595) 3.816 51.946 ( -2.240 10.754 -8.421) 13.841 52.183 ( 0.168 1.943 -1.093) 2.236 52.191 ( 0.100 1.370 -0.668) 1.527 52.516 ( -6.509 0.812 2.701) 7.094 52.749 ( -0.135 1.140 0.359) 1.202 52.797 ( -16.377 7.184 14.448) 22.990 53.190 ( -3.364 -2.278 0.806) 4.142 53.705 ( 1.582 -0.385 0.078) 1.630 53.853 ( 1.689 -0.714 -3.152) 3.647 53.980 ( 6.818 -2.511 -1.568) 7.432 54.076 ( 0.397 -2.830 0.396) 2.885 54.466 ( 3.770 0.663 1.260) 4.030 54.846 ( 3.573 -2.103 -7.733) 8.775 55.123 ( 9.518 -6.221 1.741) 11.503 55.536 ( -1.622 -5.282 0.057) 5.525 ======================= Grid point 72 (27/80) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 17.057 -2.630 6.281) 18.366 1.011 ( 14.033 4.232 15.653) 21.444 1.458 ( -13.385 -5.489 0.247) 14.469 1.522 ( 13.771 11.552 3.177) 18.253 1.574 ( -8.932 3.567 8.854) 13.072 1.740 ( 5.038 1.205 -3.727) 6.382 1.898 ( 0.982 -2.541 1.935) 3.341 1.982 ( 5.687 4.676 3.032) 7.963 2.019 ( 0.898 4.059 1.348) 4.370 2.129 ( -1.246 -0.859 6.053) 6.240 2.222 ( -9.866 1.376 4.458) 10.914 2.513 ( -9.492 5.344 -0.150) 10.894 2.950 ( 2.639 5.906 -0.583) 6.495 3.006 ( 2.140 -2.306 3.005) 4.350 3.045 ( 6.036 -4.185 -1.172) 7.437 3.155 ( -0.581 3.939 -2.797) 4.866 3.277 ( -1.741 0.835 0.087) 1.932 3.373 ( -6.227 -5.462 -1.883) 8.494 3.625 ( 0.774 2.037 -1.779) 2.813 3.633 ( 1.684 1.323 -1.903) 2.864 3.748 ( -0.671 -1.066 2.813) 3.082 3.770 ( -0.981 -1.710 -3.688) 4.182 4.126 ( 3.970 -8.346 -3.588) 9.914 4.235 ( -1.326 -5.567 -2.153) 6.114 9.026 ( 10.563 -1.550 -3.055) 11.105 9.075 ( 6.437 -0.281 -1.470) 6.609 9.184 ( 8.888 3.848 1.788) 9.849 9.237 ( 7.921 1.166 1.772) 8.200 9.341 ( 4.161 6.849 2.350) 8.352 9.386 ( 5.440 6.412 0.802) 8.447 9.993 ( -18.709 0.239 0.035) 18.711 10.148 ( -18.836 -1.805 -2.802) 19.129 10.428 ( 1.202 2.707 -11.452) 11.829 10.485 ( -1.573 2.947 -5.618) 6.536 10.812 ( 1.410 -0.640 6.126) 6.318 10.937 ( -3.910 -2.356 7.412) 8.705 20.096 ( -0.401 8.433 -0.471) 8.456 20.132 ( -2.788 15.719 -5.525) 16.893 20.887 ( -1.926 -2.170 7.478) 8.022 20.971 ( -4.207 -3.171 2.345) 5.767 21.131 ( -2.813 9.951 13.645) 17.121 21.210 ( -3.708 8.365 2.182) 9.406 21.774 ( 4.382 0.639 -2.243) 4.965 21.941 ( -3.803 -1.115 0.622) 4.012 23.085 ( 11.869 0.076 0.083) 11.870 23.560 ( -11.417 -0.663 1.683) 11.560 23.942 ( 12.144 -12.027 -14.595) 22.475 24.201 ( -4.382 -3.747 -4.975) 7.615 24.328 ( 0.505 -7.821 3.617) 8.632 24.359 ( -1.110 -9.102 2.263) 9.444 24.480 ( 1.904 -2.131 -1.479) 3.217 24.530 ( -0.580 -2.601 -0.701) 2.756 24.600 ( 0.689 0.601 0.121) 0.922 24.623 ( -0.270 1.286 0.444) 1.387 24.743 ( 2.588 4.989 -2.924) 6.336 24.773 ( 2.220 1.764 -3.883) 4.808 51.856 ( 0.335 4.697 0.221) 4.714 51.899 ( -2.252 9.033 -3.542) 9.961 52.187 ( 0.258 1.753 -1.117) 2.094 52.193 ( 0.021 2.186 -0.627) 2.274 52.424 ( -2.197 1.579 6.907) 7.418 52.530 ( -7.486 4.313 8.215) 11.922 52.877 ( 6.098 0.002 -0.848) 6.157 53.104 ( -5.407 -1.636 0.004) 5.649 53.744 ( 2.425 -0.254 0.374) 2.467 53.835 ( -1.975 0.015 -0.352) 2.006 54.058 ( 1.996 -1.296 -1.253) 2.690 54.082 ( 0.135 -1.983 -0.834) 2.155 54.565 ( 6.355 0.506 0.855) 6.432 54.812 ( -4.987 0.224 -2.593) 5.625 55.312 ( 8.180 -8.893 -3.400) 12.553 55.495 ( -2.721 -5.449 -1.399) 6.249 ======================= Grid point 73 (28/80) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -15.969 -7.084 3.476) 17.812 1.125 ( 15.969 -7.084 3.476) 17.812 1.310 ( -13.103 2.526 11.261) 17.461 1.310 ( 13.103 2.526 11.261) 17.461 1.783 ( -5.905 2.175 -4.077) 7.498 1.783 ( 5.905 2.175 -4.077) 7.498 1.920 ( -7.100 4.129 3.158) 8.800 1.920 ( 7.100 4.129 3.158) 8.800 2.097 ( -1.458 2.308 6.824) 7.350 2.097 ( 1.458 2.308 6.824) 7.350 2.265 ( -14.997 8.201 0.777) 17.111 2.265 ( 14.997 8.201 0.777) 17.111 3.004 ( -2.266 4.287 1.447) 5.061 3.004 ( 2.266 4.287 1.447) 5.061 3.144 ( -2.267 -4.682 0.165) 5.204 3.144 ( 2.267 -4.682 0.165) 5.204 3.264 ( -3.156 -1.510 -1.440) 3.784 3.264 ( 3.156 -1.510 -1.440) 3.784 3.650 ( -0.481 2.190 -3.610) 4.250 3.650 ( 0.481 2.190 -3.610) 4.250 3.748 ( -0.916 -2.754 0.088) 2.904 3.748 ( 0.916 -2.754 0.088) 2.904 4.194 ( -2.974 -7.243 -2.875) 8.341 4.194 ( 2.974 -7.243 -2.875) 8.341 9.113 ( -0.954 4.150 0.098) 4.259 9.113 ( 0.954 4.150 0.097) 4.259 9.281 ( -0.523 1.120 2.102) 2.438 9.281 ( 0.523 1.120 2.102) 2.438 9.595 ( -19.628 1.389 -0.135) 19.678 9.595 ( 19.628 1.389 -0.135) 19.678 9.735 ( -21.898 1.458 -1.708) 22.013 9.735 ( 21.898 1.458 -1.708) 22.013 10.457 ( -1.625 2.423 -9.953) 10.372 10.457 ( 1.625 2.423 -9.953) 10.372 10.862 ( -3.625 -1.623 7.831) 8.781 10.862 ( 3.625 -1.623 7.831) 8.781 20.098 ( -0.822 11.433 -1.596) 11.573 20.098 ( 0.822 11.433 -1.596) 11.573 20.899 ( -2.840 -3.041 5.777) 7.119 20.899 ( 2.840 -3.041 5.777) 7.119 21.146 ( -2.720 8.665 5.217) 10.474 21.146 ( 2.720 8.665 5.217) 10.474 21.860 ( -4.573 -0.465 -1.307) 4.779 21.860 ( 4.573 -0.465 -1.307) 4.779 23.325 ( -12.919 -0.266 1.195) 12.977 23.325 ( 12.919 -0.266 1.195) 12.977 24.103 ( -6.172 -6.687 -8.420) 12.398 24.103 ( 6.172 -6.687 -8.420) 12.398 24.341 ( -0.814 -9.054 2.641) 9.466 24.341 ( 0.814 -9.054 2.641) 9.466 24.511 ( -1.337 -2.248 -1.363) 2.949 24.511 ( 1.337 -2.248 -1.363) 2.949 24.614 ( -0.649 1.089 0.518) 1.369 24.614 ( 0.649 1.089 0.518) 1.369 24.781 ( -1.129 4.032 -3.767) 5.632 24.781 ( 1.129 4.032 -3.767) 5.632 51.868 ( -1.051 6.440 -0.796) 6.574 51.868 ( 1.051 6.440 -0.796) 6.574 52.191 ( -0.180 2.108 -0.802) 2.262 52.191 ( 0.180 2.108 -0.802) 2.262 52.434 ( -2.935 2.298 6.207) 7.241 52.434 ( 2.935 2.298 6.207) 7.241 52.993 ( -6.108 -0.852 -0.630) 6.199 52.993 ( 6.108 -0.852 -0.630) 6.199 53.792 ( -2.504 -0.091 0.345) 2.530 53.792 ( 2.504 -0.091 0.345) 2.530 54.079 ( -0.483 -1.311 -0.983) 1.708 54.079 ( 0.483 -1.311 -0.983) 1.708 54.694 ( -6.897 0.487 -0.178) 6.916 54.694 ( 6.897 0.487 -0.178) 6.916 55.429 ( -4.519 -6.855 -2.835) 8.686 55.429 ( 4.519 -6.855 -2.835) 8.686 ======================= Grid point 77 (29/80) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 10.970 14.045) 17.822 1.049 ( 0.000 22.631 5.779) 23.358 1.415 ( 0.000 24.305 9.036) 25.930 1.653 ( 0.000 6.359 -3.043) 7.049 1.714 ( 0.000 -9.167 4.548) 10.233 1.803 ( 0.000 -10.461 1.453) 10.561 1.851 ( 0.000 4.545 -3.998) 6.053 1.936 ( 0.000 0.066 3.277) 3.278 1.987 ( 0.000 0.065 10.732) 10.733 2.084 ( 0.000 -6.052 -2.631) 6.599 2.313 ( 0.000 5.034 5.917) 7.768 2.416 ( 0.000 -10.011 0.444) 10.021 2.736 ( 0.000 -6.804 5.700) 8.876 3.075 ( 0.000 4.084 -2.747) 4.922 3.094 ( 0.000 3.189 1.285) 3.438 3.205 ( 0.000 -1.648 -5.844) 6.072 3.303 ( 0.000 3.789 -5.663) 6.813 3.408 ( 0.000 -3.608 -2.230) 4.242 3.467 ( 0.000 -4.641 -1.606) 4.911 3.702 ( 0.000 -3.499 -4.788) 5.930 3.799 ( 0.000 0.587 3.001) 3.058 3.805 ( 0.000 -0.218 -2.140) 2.151 3.994 ( 0.000 -1.750 3.339) 3.770 4.137 ( 0.000 -5.119 -1.809) 5.429 8.602 ( 0.000 -3.708 -8.001) 8.819 8.622 ( 0.000 -4.258 -5.752) 7.157 9.212 ( 0.000 4.537 3.222) 5.564 9.227 ( 0.000 7.127 6.567) 9.691 9.554 ( 0.000 10.720 -2.974) 11.125 9.555 ( 0.000 12.317 0.822) 12.344 10.326 ( 0.000 1.060 -3.424) 3.584 10.355 ( 0.000 -0.780 0.163) 0.797 10.525 ( 0.000 2.659 -5.662) 6.255 10.665 ( 0.000 -0.396 0.065) 0.402 10.819 ( 0.000 -0.058 0.548) 0.551 10.931 ( 0.000 -5.888 6.335) 8.649 20.276 ( 0.000 9.089 -1.202) 9.168 20.470 ( 0.000 8.321 -12.149) 14.726 20.954 ( 0.000 1.491 -5.430) 5.631 21.046 ( 0.000 -0.486 -0.705) 0.856 21.468 ( 0.000 7.411 -5.410) 9.176 21.619 ( 0.000 -2.680 3.305) 4.255 21.999 ( 0.000 -0.127 8.646) 8.647 22.450 ( 0.000 -4.409 4.782) 6.504 22.476 ( 0.000 2.351 2.054) 3.122 22.856 ( 0.000 0.773 -2.649) 2.760 23.782 ( 0.000 -1.908 1.331) 2.326 24.140 ( 0.000 -8.762 -1.058) 8.826 24.268 ( 0.000 -2.101 3.856) 4.391 24.351 ( 0.000 -0.087 -0.649) 0.655 24.372 ( 0.000 -1.087 0.144) 1.096 24.471 ( 0.000 -2.741 -0.139) 2.745 24.564 ( 0.000 -0.936 0.139) 0.946 24.597 ( 0.000 -1.378 -0.359) 1.424 24.650 ( 0.000 1.228 0.186) 1.242 24.760 ( 0.000 1.793 -1.181) 2.147 51.945 ( 0.000 5.170 -0.897) 5.247 52.136 ( 0.000 6.145 -10.051) 11.781 52.227 ( 0.000 2.832 0.906) 2.974 52.246 ( 0.000 3.986 -1.145) 4.147 52.590 ( 0.000 -2.383 0.182) 2.389 52.711 ( 0.000 2.603 -4.075) 4.836 53.150 ( 0.000 -4.268 3.171) 5.317 53.239 ( 0.000 -2.492 5.261) 5.821 53.625 ( 0.000 0.135 0.858) 0.869 53.677 ( 0.000 -0.715 0.325) 0.786 53.922 ( 0.000 0.379 0.518) 0.642 54.023 ( 0.000 -1.695 0.525) 1.775 54.459 ( 0.000 1.872 1.036) 2.139 54.712 ( 0.000 -1.241 -2.419) 2.719 55.046 ( 0.000 0.321 3.482) 3.497 55.441 ( 0.000 -5.450 0.133) 5.452 ======================= Grid point 78 (30/80) ======================= q-point: ( 0.17 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 1.571 14.569 9.075) 17.236 1.000 ( 0.690 15.695 14.104) 21.112 1.546 ( -5.170 -1.191 -0.025) 5.306 1.616 ( 5.493 12.331 3.879) 14.046 1.701 ( 3.591 5.764 -2.333) 7.181 1.780 ( 2.425 -3.440 3.974) 5.788 1.831 ( -5.544 2.597 5.042) 7.932 1.947 ( 1.427 -3.650 1.882) 4.348 2.052 ( 5.022 3.029 7.125) 9.228 2.121 ( 2.773 -0.484 -2.795) 3.967 2.310 ( 0.008 1.922 4.895) 5.259 2.442 ( 2.766 -9.432 0.731) 9.857 2.809 ( 6.353 -7.284 4.918) 10.845 3.038 ( -2.229 2.770 -2.338) 4.255 3.089 ( -1.289 5.098 -1.350) 5.429 3.206 ( -1.374 -7.215 -2.672) 7.815 3.299 ( -1.588 6.442 -5.603) 8.684 3.365 ( -0.668 -1.493 -2.774) 3.220 3.524 ( 4.084 -4.566 -0.842) 6.184 3.719 ( 0.950 -1.440 -4.301) 4.635 3.746 ( -4.969 -1.249 2.021) 5.507 3.800 ( -0.809 -0.063 -1.990) 2.150 3.941 ( -3.431 -3.184 2.996) 5.557 4.137 ( -0.591 -5.438 -1.384) 5.642 8.707 ( 11.068 -3.342 -7.015) 13.523 8.753 ( 12.508 -4.336 -6.177) 14.609 9.232 ( 2.189 4.882 4.027) 6.696 9.255 ( 2.651 6.946 5.855) 9.464 9.539 ( -1.273 11.926 -0.177) 11.995 9.546 ( -0.857 10.594 -1.631) 10.753 10.261 ( -7.825 1.152 -0.927) 7.963 10.324 ( -4.346 -0.731 -1.908) 4.802 10.495 ( -1.912 2.668 -7.729) 8.397 10.606 ( -5.125 0.438 0.914) 5.224 10.804 ( -1.204 -0.588 1.303) 1.869 10.912 ( -1.955 -5.654 6.487) 8.824 20.282 ( 0.678 9.595 -1.624) 9.755 20.468 ( -0.484 9.213 -12.729) 15.720 20.936 ( -2.341 1.048 -4.923) 5.552 21.009 ( -3.626 -0.857 -0.211) 3.732 21.445 ( -2.219 7.912 -3.614) 8.977 21.542 ( -10.786 1.185 12.730) 16.727 21.880 ( -15.090 11.001 4.631) 19.240 21.976 ( -2.427 -0.124 7.239) 7.636 22.894 ( 8.416 -0.775 -0.877) 8.497 23.176 ( 28.439 -14.939 -6.425) 32.760 23.715 ( -6.761 -1.500 1.348) 7.056 24.110 ( -3.309 -9.893 -1.173) 10.498 24.260 ( -0.506 -1.332 2.658) 3.016 24.315 ( -2.096 -0.069 0.035) 2.097 24.404 ( 1.837 -1.608 -1.261) 2.748 24.475 ( 0.108 -2.931 -0.376) 2.957 24.583 ( 1.372 -0.444 0.258) 1.465 24.647 ( 1.064 0.468 0.158) 1.173 24.662 ( 4.884 -0.884 -0.397) 4.979 24.775 ( 1.436 1.609 -1.369) 2.555 51.952 ( 0.750 5.451 -1.270) 5.647 52.125 ( -1.433 6.883 -10.114) 12.317 52.223 ( 0.048 2.524 -0.048) 2.525 52.258 ( 1.045 4.455 -0.219) 4.581 52.522 ( -4.995 -0.398 0.957) 5.102 52.764 ( 3.122 0.532 -3.203) 4.504 52.942 ( -17.745 5.426 10.025) 21.091 53.124 ( -2.742 -3.908 2.859) 5.564 53.695 ( 1.805 -0.508 0.383) 1.914 53.819 ( 7.717 -2.750 -3.067) 8.748 53.926 ( 1.985 -1.648 1.450) 2.960 54.031 ( 0.680 -1.661 0.052) 1.795 54.491 ( 3.460 1.803 1.124) 4.060 54.794 ( 6.206 -2.703 -4.972) 8.399 55.039 ( 0.234 -1.889 4.632) 5.008 55.422 ( -2.068 -5.849 -0.282) 6.210 ======================= Grid point 79 (31/80) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 5.408 11.616 6.924) 14.564 1.118 ( 8.529 5.822 13.800) 17.236 1.323 ( -11.027 -4.261 2.820) 12.153 1.613 ( -10.736 3.131 8.777) 14.217 1.755 ( 3.719 5.991 -3.255) 7.767 1.854 ( 4.056 -0.697 3.660) 5.507 1.868 ( 5.671 7.112 -1.941) 9.301 1.953 ( 0.063 -3.010 3.670) 4.747 2.146 ( 0.638 4.335 3.463) 5.585 2.198 ( 8.844 7.487 2.441) 11.842 2.306 ( 0.354 7.192 2.996) 7.800 2.507 ( 2.635 -7.499 1.107) 8.025 2.914 ( 3.082 -5.760 1.629) 6.733 3.012 ( -0.633 0.992 -1.921) 2.253 3.064 ( -0.121 3.312 -0.430) 3.342 3.132 ( -5.742 -8.704 -0.370) 10.434 3.248 ( -1.044 3.258 -3.613) 4.976 3.384 ( -1.215 3.104 -3.488) 4.825 3.603 ( 3.851 -3.183 -0.162) 4.999 3.645 ( -2.229 -2.517 0.919) 3.486 3.718 ( -1.896 -0.924 -2.570) 3.324 3.764 ( -3.154 1.442 -0.742) 3.547 3.939 ( 3.363 -8.522 -0.535) 9.177 4.103 ( -3.033 -6.464 -1.585) 7.314 8.985 ( 16.156 -2.102 -6.081) 17.389 9.036 ( 14.731 -2.875 -4.916) 15.794 9.286 ( 2.798 4.357 4.228) 6.684 9.313 ( 2.660 5.535 4.299) 7.496 9.529 ( 1.368 10.682 -0.565) 10.784 9.546 ( 2.615 9.256 -1.337) 9.710 10.023 ( -16.064 2.981 1.637) 16.420 10.132 ( -15.832 0.678 -3.322) 16.191 10.483 ( 0.583 2.133 -7.911) 8.214 10.533 ( -2.090 1.139 -1.902) 3.047 10.788 ( -0.044 -1.807 4.008) 4.397 10.863 ( -2.992 -4.862 6.815) 8.890 20.307 ( 2.051 11.018 -3.150) 11.642 20.436 ( -3.100 11.947 -11.970) 17.194 20.867 ( -3.372 0.003 1.457) 3.673 20.926 ( -4.572 -1.372 1.117) 4.902 21.354 ( -4.125 10.466 14.930) 18.694 21.399 ( -2.999 9.614 0.499) 10.084 21.806 ( 1.211 2.723 -0.832) 3.094 21.918 ( -3.502 -0.782 4.131) 5.472 23.084 ( 11.591 -0.281 0.044) 11.594 23.542 ( -10.237 -1.533 0.956) 10.395 23.601 ( 16.091 -17.097 -6.448) 24.348 24.013 ( -6.837 -11.920 -2.268) 13.927 24.255 ( 0.024 -0.709 1.252) 1.439 24.281 ( -1.423 -0.282 0.352) 1.492 24.436 ( 1.492 -2.241 -1.927) 3.311 24.472 ( -0.401 -2.950 -1.340) 3.265 24.611 ( 1.463 0.430 0.884) 1.763 24.647 ( -0.336 1.103 0.828) 1.419 24.770 ( 4.520 -1.390 -1.913) 5.101 24.805 ( 1.499 0.982 -1.849) 2.575 51.974 ( 1.671 6.217 -2.457) 6.891 52.078 ( -3.264 7.560 -8.007) 11.485 52.236 ( 1.179 3.061 -0.811) 3.379 52.275 ( 0.317 5.379 -0.551) 5.416 52.452 ( -1.299 0.957 4.404) 4.690 52.637 ( -10.410 5.376 7.021) 13.659 52.873 ( 4.363 -0.467 0.510) 4.418 53.054 ( -4.425 -3.182 1.956) 5.791 53.740 ( 2.751 -0.068 0.418) 2.784 53.839 ( -1.890 0.446 -0.644) 2.046 54.002 ( 3.301 -3.892 -0.769) 5.161 54.042 ( 0.309 -1.861 -0.531) 1.960 54.586 ( 6.244 1.609 0.894) 6.509 54.823 ( -3.593 0.851 -2.966) 4.736 55.118 ( 7.526 -8.670 1.422) 11.569 55.362 ( -4.232 -7.091 -1.010) 8.319 ======================= Grid point 80 (32/80) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -10.512 1.353 4.871) 11.665 1.051 ( 10.512 1.353 4.871) 11.665 1.385 ( -12.124 4.666 11.605) 17.420 1.385 ( 12.124 4.666 11.605) 17.420 1.830 ( -3.572 3.062 -4.224) 6.322 1.830 ( 3.572 3.062 -4.224) 6.322 1.953 ( -1.648 -2.013 5.265) 5.872 1.953 ( 1.648 -2.013 5.265) 5.872 2.191 ( -4.437 7.656 2.374) 9.162 2.191 ( 4.437 7.656 2.374) 9.162 2.457 ( -8.737 6.041 1.358) 10.709 2.457 ( 8.737 6.041 1.358) 10.709 2.961 ( -4.311 -6.274 -0.383) 7.622 2.961 ( 4.311 -6.274 -0.383) 7.622 3.077 ( -1.477 -0.983 0.596) 1.872 3.077 ( 1.477 -0.983 0.596) 1.872 3.294 ( -5.602 2.124 -2.721) 6.580 3.294 ( 5.602 2.124 -2.721) 6.580 3.661 ( -3.465 -2.501 -0.751) 4.339 3.661 ( 3.465 -2.501 -0.751) 4.339 3.693 ( -4.012 -0.521 -0.737) 4.113 3.693 ( 4.012 -0.521 -0.737) 4.113 4.026 ( -4.817 -7.978 -1.882) 9.508 4.026 ( 4.817 -7.978 -1.882) 9.508 9.192 ( -1.300 2.666 -2.234) 3.714 9.192 ( 1.300 2.666 -2.234) 3.714 9.315 ( -1.368 1.620 0.496) 2.178 9.315 ( 1.368 1.620 0.496) 2.178 9.638 ( -5.970 3.936 -2.154) 7.468 9.638 ( 5.970 3.936 -2.154) 7.468 9.819 ( -9.312 6.493 1.558) 11.458 9.819 ( 9.312 6.493 1.558) 11.458 10.504 ( -1.335 1.583 -6.223) 6.559 10.504 ( 1.335 1.583 -6.223) 6.559 10.810 ( -2.226 -3.472 6.459) 7.664 10.810 ( 2.226 -3.472 6.459) 7.664 20.363 ( -3.844 12.658 -6.792) 14.870 20.363 ( 3.844 12.658 -6.792) 14.870 20.856 ( -2.135 -1.246 2.953) 3.851 20.856 ( 2.135 -1.246 2.953) 3.851 21.348 ( -2.033 10.559 6.454) 12.541 21.348 ( 2.033 10.559 6.454) 12.541 21.852 ( -3.199 -0.263 0.845) 3.319 21.852 ( 3.199 -0.263 0.845) 3.319 23.317 ( -12.487 -0.481 0.844) 12.525 23.317 ( 12.487 -0.481 0.844) 12.525 23.851 ( -10.455 -14.834 -4.370) 18.666 23.851 ( 10.455 -14.834 -4.370) 18.666 24.261 ( -0.672 -0.474 0.667) 1.059 24.261 ( 0.672 -0.474 0.667) 1.059 24.459 ( -0.956 -2.691 -1.950) 3.459 24.459 ( 0.956 -2.691 -1.950) 3.459 24.635 ( -0.986 0.952 1.085) 1.748 24.635 ( 0.986 0.952 1.085) 1.748 24.818 ( -0.621 -0.172 -2.261) 2.351 24.818 ( 0.621 -0.172 -2.261) 2.351 52.017 ( -2.830 7.161 -4.708) 9.025 52.017 ( 2.830 7.161 -4.708) 9.025 52.262 ( -1.392 4.498 -0.793) 4.775 52.262 ( 1.392 4.498 -0.793) 4.775 52.491 ( -5.086 3.066 5.853) 8.338 52.491 ( 5.086 3.066 5.853) 8.338 52.963 ( -4.914 -2.114 0.924) 5.428 52.963 ( 4.914 -2.114 0.924) 5.428 53.793 ( -2.762 0.337 0.217) 2.791 53.793 ( 2.762 0.337 0.217) 2.791 54.038 ( -0.840 -2.604 -0.854) 2.866 54.038 ( 0.840 -2.604 -0.854) 2.866 54.714 ( -6.823 1.550 -0.080) 6.997 54.714 ( 6.823 1.550 -0.080) 6.997 55.259 ( -6.619 -8.762 -1.039) 11.030 55.259 ( 6.619 -8.762 -1.039) 11.030 ======================= Grid point 84 (33/80) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.000 9.656 9.606) 13.621 1.490 ( 0.000 -0.460 2.634) 2.674 1.532 ( 0.000 11.454 3.248) 11.906 1.557 ( 0.000 -7.015 -0.060) 7.015 1.794 ( 0.000 -6.248 0.697) 6.286 1.814 ( 0.000 8.175 0.297) 8.180 1.926 ( 0.000 -1.935 1.030) 2.192 1.929 ( 0.000 17.176 3.957) 17.626 1.996 ( 0.000 2.554 8.901) 9.260 2.045 ( 0.000 2.230 1.843) 2.893 2.223 ( 0.000 -7.092 3.432) 7.878 2.417 ( 0.000 -1.063 5.185) 5.293 2.641 ( 0.000 0.528 2.179) 2.242 2.973 ( 0.000 -14.112 -2.827) 14.392 3.125 ( 0.000 0.576 0.586) 0.822 3.168 ( 0.000 -0.054 -0.529) 0.532 3.330 ( 0.000 2.691 -5.776) 6.372 3.372 ( 0.000 -3.905 -0.526) 3.940 3.463 ( 0.000 3.180 -6.288) 7.046 3.617 ( 0.000 -4.611 -3.739) 5.936 3.787 ( 0.000 -1.575 0.983) 1.857 3.800 ( 0.000 -0.531 -1.647) 1.731 3.971 ( 0.000 -0.147 6.507) 6.509 4.051 ( 0.000 -2.975 -0.104) 2.976 8.536 ( 0.000 -2.627 -9.360) 9.722 8.545 ( 0.000 -3.078 -7.625) 8.223 9.299 ( 0.000 3.719 4.861) 6.120 9.342 ( 0.000 3.739 6.483) 7.484 9.800 ( 0.000 12.413 -2.447) 12.652 9.825 ( 0.000 13.002 -3.680) 13.512 10.370 ( 0.000 2.851 -1.617) 3.278 10.370 ( 0.000 2.349 0.529) 2.408 10.567 ( 0.000 1.572 -2.224) 2.724 10.621 ( 0.000 -3.729 -0.936) 3.844 10.783 ( 0.000 -8.273 5.433) 9.897 10.792 ( 0.000 -2.784 1.373) 3.104 20.460 ( 0.000 8.108 -2.569) 8.505 20.597 ( 0.000 4.240 -7.157) 8.318 20.990 ( 0.000 1.730 -11.368) 11.499 21.043 ( 0.000 -0.020 -3.605) 3.605 21.564 ( 0.000 -2.161 7.366) 7.677 21.568 ( 0.000 1.705 -6.697) 6.911 22.052 ( 0.000 5.429 11.855) 13.039 22.372 ( 0.000 -3.392 4.820) 5.894 22.540 ( 0.000 3.932 1.671) 4.272 22.841 ( 0.000 -2.400 -1.264) 2.712 23.753 ( 0.000 -0.749 0.828) 1.117 23.960 ( 0.000 -7.916 0.122) 7.917 24.266 ( 0.000 1.087 0.318) 1.133 24.349 ( 0.000 -0.056 -0.568) 0.571 24.351 ( 0.000 -0.951 -0.729) 1.199 24.414 ( 0.000 -2.645 0.025) 2.645 24.546 ( 0.000 -0.719 0.118) 0.728 24.568 ( 0.000 -1.348 -0.297) 1.381 24.676 ( 0.000 1.300 0.576) 1.422 24.770 ( 0.000 -0.641 -0.596) 0.875 52.053 ( 0.000 5.174 -2.586) 5.785 52.222 ( 0.000 1.952 -5.544) 5.877 52.304 ( 0.000 4.357 2.909) 5.239 52.356 ( 0.000 6.776 -3.956) 7.846 52.533 ( 0.000 -3.060 0.866) 3.180 52.737 ( 0.000 -0.840 -8.099) 8.142 53.069 ( 0.000 -2.697 5.964) 6.546 53.181 ( 0.000 -3.126 4.581) 5.545 53.629 ( 0.000 0.274 1.008) 1.044 53.661 ( 0.000 -0.744 0.777) 1.076 53.933 ( 0.000 0.669 0.083) 0.674 53.994 ( 0.000 -1.260 -0.363) 1.311 54.506 ( 0.000 2.679 0.809) 2.798 54.678 ( 0.000 -2.052 -1.086) 2.322 55.067 ( 0.000 1.839 1.944) 2.676 55.326 ( 0.000 -5.602 -0.245) 5.608 ======================= Grid point 85 (34/80) ======================= q-point: ( 0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 4.883 9.423 9.122) 13.995 1.384 ( -7.785 7.563 2.678) 11.179 1.444 ( -6.742 10.214 6.263) 13.748 1.626 ( 5.680 -7.058 2.640) 9.437 1.806 ( 1.623 -4.884 -0.878) 5.222 1.854 ( -5.679 0.311 6.330) 8.510 1.866 ( 4.036 6.607 -0.957) 7.800 1.956 ( 1.206 5.473 4.418) 7.136 2.103 ( 5.453 -2.155 0.850) 5.925 2.146 ( 10.524 6.331 2.779) 12.592 2.257 ( 4.354 -1.914 3.979) 6.201 2.420 ( -0.164 2.025 2.467) 3.195 2.665 ( 3.336 -5.502 3.815) 7.481 2.965 ( -1.057 -10.456 -2.129) 10.722 3.090 ( -3.133 0.162 -0.859) 3.253 3.141 ( -2.116 0.478 -1.129) 2.446 3.382 ( 4.915 1.341 -4.120) 6.552 3.417 ( 3.666 -2.776 -0.558) 4.632 3.429 ( -3.024 2.303 -6.331) 7.384 3.646 ( 1.696 -4.566 -3.511) 6.005 3.712 ( -5.919 -1.396 1.039) 6.169 3.789 ( -1.156 -0.413 -1.573) 1.996 3.923 ( -4.779 0.192 6.237) 7.860 4.040 ( -1.471 -3.717 -0.382) 4.015 8.649 ( 11.784 -2.219 -8.311) 14.590 8.674 ( 12.649 -3.140 -7.898) 15.240 9.320 ( 2.136 3.708 4.848) 6.466 9.369 ( 2.437 3.632 6.227) 7.610 9.782 ( -1.740 11.964 -2.264) 12.300 9.805 ( -1.972 12.586 -4.053) 13.369 10.312 ( -6.549 3.537 0.169) 7.445 10.347 ( -3.812 2.919 -1.506) 5.032 10.527 ( -2.930 0.147 -3.073) 4.248 10.581 ( -3.573 -2.319 0.767) 4.328 10.767 ( -1.976 -4.409 3.294) 5.848 10.770 ( -1.404 -6.753 3.567) 7.765 20.473 ( 1.422 8.301 -3.206) 9.012 20.605 ( 0.733 4.475 -7.614) 8.862 20.961 ( -3.321 1.053 -11.000) 11.538 20.999 ( -4.215 -0.305 -3.128) 5.257 21.536 ( -1.838 0.602 8.267) 8.491 21.575 ( 0.286 2.349 -3.653) 4.353 22.001 ( -5.561 4.457 10.771) 12.915 22.094 ( -13.020 7.348 5.391) 15.892 22.848 ( 14.121 -3.502 -0.028) 14.549 22.955 ( 14.281 -6.658 -1.478) 15.826 23.692 ( -6.137 -0.472 0.838) 6.212 23.915 ( -4.717 -8.414 -0.059) 9.646 24.264 ( -0.094 1.180 -0.147) 1.193 24.319 ( -1.744 0.419 -0.315) 1.821 24.371 ( 0.998 -1.603 -1.594) 2.471 24.415 ( -0.061 -2.783 -0.518) 2.832 24.575 ( 2.314 -0.282 0.478) 2.380 24.622 ( 5.037 -1.698 -0.181) 5.319 24.677 ( 0.197 1.274 0.744) 1.489 24.780 ( 0.933 -0.891 -0.683) 1.460 52.065 ( 1.177 5.314 -3.100) 6.264 52.232 ( 0.801 2.802 -6.709) 7.314 52.287 ( -1.411 3.982 -0.113) 4.226 52.373 ( 1.769 6.719 -0.390) 6.959 52.498 ( -3.002 -1.865 0.259) 3.544 52.756 ( 1.509 -1.913 -5.933) 6.414 53.011 ( -11.925 1.433 6.707) 13.756 53.047 ( -3.273 -2.848 5.614) 7.095 53.686 ( 2.466 -0.224 0.637) 2.557 53.756 ( 8.740 -2.893 -0.760) 9.238 53.918 ( -1.300 0.509 0.490) 1.480 53.999 ( 0.334 -1.562 -0.495) 1.672 54.539 ( 3.419 2.765 0.855) 4.480 54.736 ( 5.587 -2.952 -1.886) 6.594 55.035 ( -3.183 1.329 2.444) 4.227 55.298 ( -2.956 -5.976 -0.422) 6.681 ======================= Grid point 86 (35/80) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 3.265 10.543 6.492) 12.805 1.254 ( -5.159 10.789 4.445) 12.759 1.369 ( 1.211 9.366 9.785) 13.599 1.678 ( -7.571 3.124 8.093) 11.514 1.765 ( 4.110 -4.562 4.957) 7.892 1.850 ( 1.707 -2.613 -1.025) 3.285 1.934 ( 2.021 2.867 1.969) 4.022 1.974 ( 0.708 5.572 2.187) 6.028 2.197 ( 4.871 -9.745 0.930) 10.934 2.279 ( 3.412 3.363 -3.586) 5.984 2.379 ( 4.663 1.300 4.638) 6.704 2.425 ( 1.199 -1.161 2.059) 2.650 2.778 ( 8.412 -3.119 2.652) 9.355 2.954 ( 0.844 -5.148 -0.654) 5.258 3.035 ( -2.056 0.191 -2.893) 3.554 3.098 ( -2.624 -1.015 -0.677) 2.894 3.343 ( -5.025 4.010 -4.598) 7.904 3.428 ( -4.653 0.895 -5.002) 6.890 3.522 ( 7.211 -4.074 1.460) 8.410 3.579 ( -0.315 -1.441 1.185) 1.892 3.705 ( -0.908 -1.168 -3.761) 4.041 3.784 ( 0.739 -1.194 -0.510) 1.494 3.812 ( -4.600 -2.177 4.317) 6.674 3.986 ( -4.215 -4.811 -1.136) 6.497 8.947 ( 18.068 -1.416 -7.155) 19.485 8.978 ( 17.541 -2.480 -6.641) 18.919 9.359 ( 0.743 2.788 3.494) 4.531 9.403 ( -0.362 2.527 4.075) 4.809 9.751 ( -0.616 10.837 -1.235) 10.925 9.770 ( -0.673 11.214 -5.005) 12.299 10.116 ( -12.498 5.610 3.102) 14.046 10.182 ( -12.908 3.876 -2.936) 13.794 10.499 ( 0.047 -0.933 -0.984) 1.357 10.531 ( -1.377 -0.639 -0.823) 1.727 10.731 ( -1.460 -4.217 3.375) 5.595 10.740 ( -1.549 -6.531 4.356) 8.001 20.515 ( 3.100 8.679 -5.312) 10.637 20.617 ( 0.055 5.958 -9.407) 11.136 20.871 ( -4.830 0.079 -5.624) 7.414 20.906 ( -4.971 -0.837 -2.027) 5.433 21.526 ( 1.198 6.168 11.063) 12.723 21.580 ( 0.022 6.826 -0.272) 6.831 21.875 ( -4.951 3.319 3.992) 7.174 21.935 ( -6.094 2.924 6.485) 9.367 23.072 ( 12.027 -0.831 0.043) 12.055 23.283 ( 16.742 -12.085 -2.164) 20.761 23.532 ( -10.269 -0.173 0.844) 10.305 23.783 ( -9.146 -9.743 -0.671) 13.380 24.265 ( 0.189 1.265 -0.609) 1.416 24.290 ( -1.251 0.900 -0.554) 1.637 24.389 ( 0.902 -2.247 -1.989) 3.134 24.411 ( -0.284 -2.850 -1.481) 3.225 24.621 ( 2.314 0.634 1.095) 2.638 24.671 ( -0.235 1.272 0.890) 1.570 24.728 ( 4.605 -2.330 -0.498) 5.184 24.797 ( 0.553 -1.542 -0.874) 1.857 52.098 ( 2.300 5.632 -4.447) 7.535 52.214 ( -2.961 5.817 -7.413) 9.878 52.291 ( 2.106 1.612 -2.347) 3.542 52.396 ( -1.394 4.774 -2.236) 5.453 52.468 ( 2.263 1.842 4.629) 5.472 52.727 ( -7.673 2.730 2.244) 8.447 52.854 ( -0.312 -1.243 3.574) 3.797 52.980 ( -4.002 -3.654 4.503) 7.046 53.745 ( 3.460 0.706 0.340) 3.548 53.853 ( -0.395 0.558 -1.307) 1.475 53.919 ( 3.089 -3.514 0.393) 4.695 53.999 ( -0.497 -2.330 -0.653) 2.470 54.633 ( 6.225 2.883 0.752) 6.901 54.838 ( 1.766 -0.162 -3.318) 3.762 54.982 ( 0.574 -3.710 3.355) 5.035 55.215 ( -5.693 -6.894 -0.649) 8.964 ======================= Grid point 87 (36/80) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -1.102 12.081 5.093) 13.157 1.196 ( 1.102 12.081 5.093) 13.157 1.495 ( -9.710 5.932 10.575) 15.533 1.495 ( 9.710 5.932 10.575) 15.533 1.845 ( -2.669 -4.264 3.377) 6.059 1.845 ( 2.669 -4.264 3.377) 6.059 1.964 ( -1.798 6.221 0.463) 6.492 1.964 ( 1.798 6.221 0.463) 6.492 2.286 ( -3.165 -4.888 -1.047) 5.916 2.286 ( 3.165 -4.888 -1.047) 5.916 2.419 ( -1.272 -3.459 2.834) 4.649 2.419 ( 1.272 -3.459 2.834) 4.649 2.943 ( -6.120 2.028 -2.212) 6.816 2.943 ( 6.120 2.028 -2.212) 6.816 3.036 ( -3.705 -1.882 0.673) 4.210 3.036 ( 3.705 -1.882 0.673) 4.210 3.305 ( -3.358 0.531 -3.014) 4.544 3.305 ( 3.358 0.531 -3.014) 4.544 3.644 ( -4.428 0.474 -2.113) 4.929 3.644 ( 4.428 0.474 -2.113) 4.929 3.666 ( -7.407 -2.051 3.033) 8.262 3.666 ( 7.407 -2.051 3.033) 8.262 3.888 ( -5.727 -5.278 -1.733) 7.979 3.888 ( 5.727 -5.278 -1.733) 7.979 9.226 ( -1.229 1.099 -4.391) 4.691 9.226 ( 1.229 1.099 -4.391) 4.691 9.318 ( -1.780 -1.223 -1.212) 2.476 9.318 ( 1.780 -1.223 -1.212) 2.476 9.781 ( -1.578 9.170 -2.268) 9.577 9.781 ( 1.578 9.170 -2.268) 9.577 9.973 ( -3.459 7.355 2.308) 8.449 9.973 ( 3.459 7.355 2.308) 8.449 10.512 ( -0.953 -0.664 -1.444) 1.853 10.512 ( 0.953 -0.664 -1.444) 1.853 10.720 ( -0.369 -5.179 4.258) 6.715 10.720 ( 0.369 -5.179 4.258) 6.715 20.583 ( -3.464 8.458 -9.027) 12.846 20.583 ( 3.464 8.458 -9.027) 12.846 20.836 ( -1.565 -1.113 -1.026) 2.177 20.836 ( 1.565 -1.113 -1.026) 2.177 21.563 ( -1.888 9.814 6.697) 12.031 21.563 ( 1.888 9.814 6.697) 12.031 21.849 ( -2.186 -0.198 3.268) 3.937 21.849 ( 2.186 -0.198 3.268) 3.937 23.309 ( -12.372 -0.222 0.402) 12.380 23.309 ( 12.372 -0.222 0.402) 12.380 23.571 ( -13.043 -11.434 -1.447) 17.405 23.571 ( 13.043 -11.434 -1.447) 17.405 24.272 ( -0.638 1.196 -0.691) 1.521 24.272 ( 0.638 1.196 -0.691) 1.521 24.403 ( -0.580 -2.667 -1.987) 3.376 24.403 ( 0.580 -2.667 -1.987) 3.376 24.656 ( -1.331 1.224 1.208) 2.175 24.656 ( 1.331 1.224 1.208) 2.175 24.789 ( -1.656 -2.254 -0.926) 2.946 24.789 ( 1.656 -2.254 -0.926) 2.946 52.151 ( -3.233 5.889 -6.083) 9.062 52.151 ( 3.233 5.889 -6.083) 9.062 52.343 ( -3.089 2.270 -3.108) 4.935 52.343 ( 3.089 2.270 -3.108) 4.935 52.569 ( -7.336 4.845 5.944) 10.612 52.569 ( 7.336 4.845 5.944) 10.612 52.903 ( -3.832 -3.740 2.839) 6.060 52.903 ( 3.832 -3.740 2.839) 6.060 53.809 ( -3.122 1.291 -0.024) 3.378 53.809 ( 3.122 1.291 -0.024) 3.378 53.975 ( -2.084 -3.365 -0.685) 4.017 53.975 ( 2.084 -3.365 -0.685) 4.017 54.761 ( -6.767 3.031 -0.024) 7.415 54.761 ( 6.767 3.031 -0.024) 7.415 55.088 ( -7.403 -7.621 -0.103) 10.625 55.088 ( 7.403 -7.621 -0.103) 10.625 ======================= Grid point 91 (37/80) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.000 6.219 5.766) 8.481 1.318 ( 0.000 -7.014 4.161) 8.156 1.490 ( 0.000 1.593 1.142) 1.961 1.598 ( 0.000 -7.210 0.038) 7.210 1.872 ( 0.000 2.079 -0.533) 2.146 1.905 ( 0.000 -1.014 0.297) 1.057 1.977 ( 0.000 8.360 0.989) 8.418 2.006 ( 0.000 3.084 2.111) 3.738 2.115 ( 0.000 1.570 7.406) 7.571 2.119 ( 0.000 6.699 8.736) 11.009 2.306 ( 0.000 -4.138 4.176) 5.879 2.333 ( 0.000 10.247 4.516) 11.198 2.643 ( 0.000 -13.859 0.708) 13.877 2.647 ( 0.000 -4.021 1.454) 4.275 3.139 ( 0.000 0.938 -0.939) 1.327 3.159 ( 0.000 -0.851 -1.506) 1.730 3.356 ( 0.000 3.020 -3.076) 4.311 3.410 ( 0.000 4.143 -6.008) 7.298 3.454 ( 0.000 -3.467 -5.432) 6.444 3.516 ( 0.000 -5.035 -3.686) 6.240 3.767 ( 0.000 0.078 1.830) 1.831 3.782 ( 0.000 -1.044 0.170) 1.058 3.984 ( 0.000 1.088 5.123) 5.237 4.009 ( 0.000 -1.384 2.369) 2.744 8.498 ( 0.000 -0.922 -9.598) 9.642 8.500 ( 0.000 -1.149 -8.970) 9.044 9.360 ( 0.000 2.138 5.494) 5.896 9.381 ( 0.000 0.255 5.851) 5.856 10.023 ( 0.000 7.699 -3.578) 8.490 10.043 ( 0.000 6.310 -6.511) 9.067 10.427 ( 0.000 2.639 -0.236) 2.650 10.446 ( 0.000 4.312 1.775) 4.663 10.526 ( 0.000 -4.235 -2.586) 4.962 10.602 ( 0.000 -5.971 3.693) 7.021 10.615 ( 0.000 1.154 1.468) 1.867 10.707 ( 0.000 -4.983 3.231) 5.939 20.594 ( 0.000 4.634 -3.289) 5.683 20.643 ( 0.000 0.005 -4.123) 4.123 21.020 ( 0.000 1.173 -13.791) 13.841 21.038 ( 0.000 -0.561 -9.364) 9.380 21.542 ( 0.000 0.124 7.127) 7.128 21.562 ( 0.000 -1.342 0.658) 1.494 22.187 ( 0.000 6.508 8.700) 10.865 22.297 ( 0.000 -4.220 5.891) 7.247 22.640 ( 0.000 5.638 1.247) 5.774 22.759 ( 0.000 -5.305 0.266) 5.312 23.760 ( 0.000 1.668 0.392) 1.713 23.827 ( 0.000 -4.877 0.204) 4.881 24.298 ( 0.000 1.782 -0.921) 2.006 24.331 ( 0.000 -1.219 -1.423) 1.874 24.350 ( 0.000 0.254 -0.161) 0.301 24.368 ( 0.000 -1.622 0.327) 1.654 24.538 ( 0.000 -0.039 0.005) 0.040 24.546 ( 0.000 -0.790 -0.159) 0.805 24.706 ( 0.000 1.682 0.555) 1.771 24.743 ( 0.000 -1.735 0.092) 1.738 52.153 ( 0.000 4.302 -3.284) 5.412 52.220 ( 0.000 -1.931 -3.501) 3.999 52.393 ( 0.000 4.012 3.534) 5.347 52.467 ( 0.000 -3.193 2.248) 3.905 52.511 ( 0.000 7.750 -6.162) 9.901 52.661 ( 0.000 -6.135 -8.276) 10.302 53.060 ( 0.000 1.573 5.459) 5.681 53.114 ( 0.000 -3.202 4.204) 5.285 53.636 ( 0.000 0.433 1.122) 1.202 53.647 ( 0.000 -0.612 1.060) 1.224 53.949 ( 0.000 0.894 -0.397) 0.978 53.970 ( 0.000 -1.072 -0.617) 1.237 54.566 ( 0.000 3.039 0.521) 3.083 54.628 ( 0.000 -2.793 -0.032) 2.793 55.124 ( 0.000 3.669 0.628) 3.722 55.215 ( 0.000 -5.031 -0.085) 5.032 ======================= Grid point 92 (38/80) ======================= q-point: ( 0.17 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 4.694 6.758 6.269) 10.344 1.362 ( 3.972 -3.399 4.578) 6.949 1.523 ( 4.053 0.780 2.202) 4.678 1.639 ( 3.668 -7.328 0.722) 8.226 1.847 ( -3.230 6.165 1.746) 7.176 1.903 ( -4.799 6.803 4.435) 9.433 1.914 ( -3.047 5.143 4.210) 7.312 2.059 ( 3.946 3.958 1.589) 5.811 2.070 ( 0.482 0.193 2.432) 2.486 2.147 ( 2.495 0.293 4.572) 5.216 2.272 ( 0.183 -6.017 4.643) 7.602 2.367 ( -3.926 -9.323 1.137) 10.180 2.641 ( 9.759 7.704 2.768) 12.738 2.814 ( 8.107 -5.958 -0.582) 10.078 3.110 ( -2.724 1.469 -1.250) 3.338 3.136 ( -2.725 -0.761 -1.206) 3.075 3.328 ( -0.076 -0.365 -2.102) 2.135 3.395 ( -4.028 -4.844 -6.605) 9.128 3.477 ( 4.190 4.440 -3.849) 7.217 3.566 ( 3.572 -3.864 -3.557) 6.351 3.721 ( -4.110 2.153 1.837) 4.991 3.768 ( -1.648 -1.862 0.075) 2.488 3.939 ( -4.471 1.509 4.855) 6.770 3.980 ( -3.060 -2.364 1.672) 4.213 8.619 ( 12.362 -0.579 -8.859) 15.220 8.627 ( 12.647 -1.350 -8.792) 15.462 9.382 ( 1.975 2.167 5.171) 5.944 9.405 ( 2.076 0.111 5.472) 5.853 9.996 ( -2.670 7.256 -3.675) 8.561 10.013 ( -2.868 6.001 -6.606) 9.374 10.387 ( -5.108 3.368 0.133) 6.120 10.437 ( -4.360 5.105 -2.330) 7.106 10.473 ( -2.358 -3.774 1.717) 4.769 10.575 ( -3.041 -0.241 1.519) 3.407 10.599 ( -0.400 -5.354 3.873) 6.620 10.676 ( -2.505 -5.273 3.294) 6.703 20.608 ( 1.534 4.588 -3.810) 6.158 20.654 ( 1.258 0.194 -4.399) 4.580 20.977 ( -4.398 0.626 -12.744) 13.496 20.990 ( -4.644 -0.610 -8.471) 9.679 21.553 ( 1.667 1.286 7.226) 7.526 21.582 ( 2.253 -1.125 0.908) 2.677 22.116 ( -6.986 5.376 8.560) 12.287 22.177 ( -9.550 0.300 6.108) 11.340 22.803 ( 13.376 0.262 0.491) 13.388 22.854 ( 9.641 -3.922 0.072) 10.409 23.704 ( -5.788 1.833 0.387) 6.084 23.775 ( -5.454 -5.118 0.135) 7.480 24.297 ( 0.019 1.882 -1.109) 2.185 24.332 ( -0.443 0.309 -0.809) 0.973 24.338 ( -0.311 -1.074 -1.254) 1.680 24.364 ( -0.370 -2.017 -0.415) 2.092 24.575 ( 3.256 0.365 0.418) 3.303 24.591 ( 4.212 -1.190 0.172) 4.380 24.709 ( 0.191 1.778 0.626) 1.894 24.748 ( 0.468 -1.925 0.080) 1.982 52.166 ( 1.403 4.401 -3.795) 5.979 52.236 ( 1.582 -1.983 -3.981) 4.720 52.378 ( -1.716 4.132 0.098) 4.475 52.449 ( -1.834 -2.779 0.271) 3.341 52.526 ( 1.727 7.551 -2.548) 8.154 52.671 ( 1.177 -6.076 -5.487) 8.270 53.013 ( -4.669 0.045 5.766) 7.419 53.023 ( -7.808 -0.535 5.303) 9.454 53.688 ( 3.846 0.482 0.641) 3.929 53.709 ( 6.123 -1.596 0.279) 6.334 53.938 ( -1.189 1.249 -0.312) 1.753 53.967 ( -0.433 -1.531 -0.606) 1.702 54.602 ( 3.723 3.290 0.511) 4.995 54.671 ( 4.446 -3.302 -0.189) 5.541 55.088 ( -3.750 3.672 0.678) 5.292 55.181 ( -3.545 -5.231 -0.156) 6.322 ======================= Grid point 93 (39/80) ======================= q-point: ( 0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 7.177 9.591 6.361) 13.563 1.454 ( 5.589 5.546 4.925) 9.287 1.628 ( 5.403 -3.361 5.183) 8.208 1.688 ( -3.425 8.304 3.222) 9.543 1.765 ( -7.161 4.355 7.924) 11.534 1.767 ( 0.755 1.502 4.303) 4.620 1.874 ( -2.201 -5.825 7.228) 9.540 2.090 ( -2.077 -5.739 1.383) 6.258 2.118 ( 1.620 2.811 1.259) 3.480 2.199 ( 1.123 -2.094 -1.540) 2.832 2.273 ( 4.237 -5.451 0.733) 6.943 2.358 ( 2.097 -5.727 0.015) 6.099 2.857 ( 10.051 6.339 -0.036) 11.883 2.920 ( 3.253 0.082 -2.091) 3.868 3.048 ( -3.385 0.967 -1.983) 4.040 3.067 ( -3.880 -1.350 -1.154) 4.267 3.325 ( -1.437 -1.021 -3.706) 4.103 3.396 ( 6.615 -6.697 0.958) 9.461 3.518 ( -3.033 5.692 -3.087) 7.151 3.613 ( 0.991 -1.130 -1.334) 2.010 3.662 ( -0.443 1.179 -0.284) 1.291 3.735 ( -0.151 -3.199 0.440) 3.232 3.831 ( -6.345 2.598 2.888) 7.440 3.899 ( -5.187 -3.777 0.342) 6.425 8.929 ( 18.815 -0.245 -7.488) 20.252 8.939 ( 18.657 -1.186 -7.389) 20.102 9.403 ( -1.327 1.551 2.656) 3.350 9.423 ( -1.943 -0.233 2.749) 3.375 9.946 ( -1.411 6.646 -2.733) 7.323 9.959 ( -1.620 5.645 -5.795) 8.251 10.217 ( -11.394 3.280 1.590) 11.962 10.248 ( -12.318 0.903 -2.014) 12.515 10.483 ( 1.410 1.565 2.736) 3.453 10.537 ( -1.172 1.544 1.734) 2.601 10.592 ( -0.102 -6.284 3.683) 7.284 10.633 ( -1.947 -5.369 2.892) 6.402 20.653 ( 3.204 4.510 -5.388) 7.722 20.691 ( 2.545 1.058 -5.384) 6.048 20.870 ( -6.123 0.084 -9.516) 11.316 20.885 ( -5.798 -1.150 -6.727) 8.955 21.621 ( 5.472 3.183 7.063) 9.484 21.653 ( 5.274 0.452 2.109) 5.698 21.950 ( -9.495 3.659 7.382) 12.571 21.987 ( -9.989 0.683 5.966) 11.655 23.060 ( 13.611 0.211 0.047) 13.613 23.108 ( 15.396 -4.980 -0.362) 16.185 23.548 ( -10.391 1.952 0.325) 10.577 23.624 ( -10.276 -5.611 -0.096) 11.709 24.299 ( 0.210 1.990 -1.300) 2.387 24.316 ( -0.743 1.602 -0.977) 2.019 24.343 ( 0.411 -2.187 -1.743) 2.826 24.357 ( -0.346 -2.356 -1.249) 2.689 24.640 ( 3.256 1.334 0.844) 3.618 24.676 ( 4.004 -1.874 0.196) 4.425 24.709 ( -0.194 1.708 0.799) 1.896 24.754 ( -0.088 -2.339 0.063) 2.341 52.205 ( 2.581 4.621 -4.937) 7.238 52.278 ( 2.701 -1.923 -5.080) 6.066 52.329 ( -3.185 4.272 -4.165) 6.763 52.401 ( -3.043 -2.378 -3.191) 5.010 52.583 ( 4.395 7.006 2.886) 8.760 52.710 ( 2.723 -4.481 -0.168) 5.246 52.858 ( -8.237 2.018 6.396) 10.622 52.912 ( -5.830 -2.942 5.658) 8.640 53.772 ( 4.468 1.888 0.056) 4.851 53.822 ( 5.194 -2.879 -0.599) 5.969 53.905 ( -2.177 1.622 -0.129) 2.718 53.949 ( -1.524 -2.391 -0.602) 2.898 54.703 ( 6.631 3.842 0.450) 7.676 54.786 ( 7.278 -4.019 -0.591) 8.335 54.988 ( -6.421 3.343 0.846) 7.288 55.084 ( -6.446 -5.661 -0.265) 8.583 ======================= Grid point 94 (40/80) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -5.597 14.568 4.431) 16.223 1.495 ( 5.597 14.568 4.431) 16.223 1.628 ( -5.020 5.906 8.335) 11.382 1.628 ( 5.020 5.906 8.335) 11.382 1.739 ( -4.679 -3.490 6.547) 8.771 1.739 ( 4.679 -3.490 6.547) 8.771 1.952 ( -8.482 -15.280 4.864) 18.140 1.952 ( 8.482 -15.280 4.864) 18.140 2.186 ( -2.991 7.925 -2.263) 8.768 2.186 ( 2.991 7.925 -2.263) 8.768 2.361 ( -2.612 -6.348 -0.979) 6.934 2.361 ( 2.612 -6.348 -0.979) 6.934 2.958 ( -0.286 1.576 -2.395) 2.881 2.958 ( 0.286 1.576 -2.395) 2.881 3.010 ( -0.821 -2.241 -2.052) 3.147 3.010 ( 0.821 -2.241 -2.052) 3.147 3.387 ( -7.420 7.017 -0.324) 10.217 3.387 ( 7.420 7.017 -0.324) 10.218 3.544 ( -7.537 -7.210 0.921) 10.470 3.544 ( 7.537 -7.210 0.921) 10.470 3.716 ( -5.295 3.857 -0.136) 6.552 3.716 ( 5.295 3.857 -0.136) 6.552 3.798 ( -5.084 -3.931 -0.672) 6.461 3.798 ( 5.084 -3.931 -0.672) 6.461 9.250 ( -1.186 1.339 -4.421) 4.769 9.250 ( 1.186 1.339 -4.421) 4.769 9.283 ( -1.560 -1.832 -3.211) 4.012 9.283 ( 1.560 -1.832 -3.211) 4.012 9.971 ( -1.247 8.126 -1.140) 8.300 9.971 ( 1.247 8.126 -1.140) 8.300 10.066 ( -1.779 0.140 0.111) 1.788 10.066 ( 1.779 0.140 0.111) 1.788 10.513 ( -1.513 2.012 2.387) 3.469 10.513 ( 1.513 2.012 2.387) 3.469 10.603 ( -1.197 -5.781 2.995) 6.620 10.603 ( 1.197 -5.781 2.995) 6.620 20.719 ( -2.203 5.004 -7.859) 9.574 20.719 ( 2.203 5.004 -7.859) 9.574 20.798 ( -1.564 -2.720 -5.087) 5.977 20.798 ( 1.564 -2.720 -5.087) 5.977 21.735 ( -3.066 6.524 6.103) 9.445 21.735 ( 3.066 6.524 6.103) 9.445 21.827 ( -3.234 -2.434 4.980) 6.417 21.827 ( 3.234 -2.434 4.980) 6.417 23.319 ( -12.886 1.604 0.071) 12.986 23.319 ( 12.886 1.604 0.071) 12.986 23.392 ( -13.572 -5.889 -0.288) 14.797 23.392 ( 13.572 -5.889 -0.288) 14.797 24.305 ( -0.412 1.940 -1.253) 2.346 24.305 ( 0.412 1.940 -1.253) 2.346 24.351 ( -0.344 -2.415 -1.667) 2.954 24.351 ( 0.344 -2.415 -1.667) 2.954 24.689 ( -1.688 1.964 0.863) 2.730 24.689 ( 1.688 1.964 0.863) 2.730 24.736 ( -1.900 -2.588 0.130) 3.213 24.736 ( 1.900 -2.588 0.130) 3.213 52.262 ( -3.329 4.777 -5.743) 8.178 52.262 ( 3.329 4.777 -5.743) 8.178 52.339 ( -3.328 -2.368 -4.847) 6.339 52.339 ( 3.328 -2.368 -4.847) 6.339 52.688 ( -6.125 6.221 5.282) 10.203 52.688 ( 6.125 6.221 5.282) 10.203 52.809 ( -4.294 -5.321 4.321) 8.088 52.809 ( 4.294 -5.321 4.321) 8.088 53.847 ( -3.309 2.383 -0.302) 4.089 53.847 ( 3.309 2.383 -0.302) 4.089 53.906 ( -3.007 -3.214 -0.520) 4.432 53.906 ( 3.007 -3.214 -0.520) 4.432 54.839 ( -6.891 4.512 0.029) 8.237 54.839 ( 6.891 4.512 0.029) 8.237 54.947 ( -7.214 -5.988 0.085) 9.376 54.947 ( 7.214 -5.988 0.085) 9.376 ======================= Grid point 126 (41/80) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.000 0.000 14.242) 14.242 0.732 ( 0.000 0.000 16.406) 16.406 1.345 ( 0.000 0.000 10.677) 10.677 1.376 ( 0.000 0.000 -10.846) 10.846 1.531 ( 0.000 0.000 14.897) 14.897 2.048 ( 0.000 0.000 4.697) 4.697 2.073 ( 0.000 0.000 9.545) 9.545 2.191 ( 0.000 0.000 7.033) 7.033 2.200 ( 0.000 0.000 10.342) 10.342 2.227 ( 0.000 0.000 -1.392) 1.392 2.610 ( 0.000 0.000 -1.185) 1.185 2.688 ( 0.000 0.000 5.503) 5.503 2.755 ( 0.000 0.000 -1.924) 1.924 2.780 ( 0.000 0.000 -1.512) 1.512 2.985 ( 0.000 0.000 -9.992) 9.992 3.075 ( 0.000 0.000 7.388) 7.388 3.209 ( 0.000 0.000 6.989) 6.989 3.507 ( 0.000 0.000 -3.755) 3.755 3.533 ( 0.000 0.000 -3.296) 3.296 3.583 ( 0.000 0.000 -10.067) 10.067 3.715 ( 0.000 0.000 -6.853) 6.853 3.836 ( 0.000 0.000 -4.676) 4.676 3.964 ( 0.000 0.000 2.949) 2.949 4.226 ( 0.000 0.000 -3.288) 3.288 8.655 ( 0.000 0.000 -3.763) 3.763 8.685 ( 0.000 0.000 -4.059) 4.059 9.061 ( 0.000 0.000 1.515) 1.515 9.066 ( 0.000 0.000 5.612) 5.612 9.254 ( 0.000 0.000 -3.379) 3.379 9.447 ( 0.000 0.000 6.603) 6.603 10.089 ( 0.000 0.000 -10.381) 10.381 10.377 ( 0.000 0.000 -4.801) 4.801 10.422 ( 0.000 0.000 0.649) 0.649 10.561 ( 0.000 0.000 -2.895) 2.895 10.891 ( 0.000 0.000 5.901) 5.901 11.139 ( 0.000 0.000 1.813) 1.813 19.948 ( 0.000 0.000 3.173) 3.173 20.056 ( 0.000 0.000 0.328) 0.328 20.934 ( 0.000 0.000 -0.114) 0.114 21.042 ( 0.000 0.000 -3.236) 3.236 21.287 ( 0.000 0.000 3.820) 3.820 21.576 ( 0.000 0.000 -4.567) 4.567 22.131 ( 0.000 0.000 6.402) 6.402 22.499 ( 0.000 0.000 3.930) 3.930 22.567 ( 0.000 0.000 -4.307) 4.307 22.747 ( 0.000 0.000 -3.945) 3.945 23.893 ( 0.000 0.000 3.570) 3.570 24.229 ( 0.000 0.000 -5.867) 5.867 24.449 ( 0.000 0.000 2.549) 2.549 24.471 ( 0.000 0.000 0.714) 0.714 24.501 ( 0.000 0.000 0.110) 0.110 24.528 ( 0.000 0.000 -0.812) 0.812 24.579 ( 0.000 0.000 -1.152) 1.152 24.608 ( 0.000 0.000 0.468) 0.468 24.612 ( 0.000 0.000 0.144) 0.144 24.653 ( 0.000 0.000 -2.322) 2.322 51.820 ( 0.000 0.000 2.588) 2.588 51.847 ( 0.000 0.000 1.848) 1.848 52.130 ( 0.000 0.000 -1.557) 1.557 52.148 ( 0.000 0.000 -2.081) 2.081 52.620 ( 0.000 0.000 -0.288) 0.288 52.630 ( 0.000 0.000 -0.438) 0.438 53.265 ( 0.000 0.000 0.829) 0.829 53.308 ( 0.000 0.000 -0.431) 0.431 53.645 ( 0.000 0.000 1.222) 1.222 53.691 ( 0.000 0.000 -0.251) 0.251 53.942 ( 0.000 0.000 1.712) 1.712 54.091 ( 0.000 0.000 -2.288) 2.288 54.459 ( 0.000 0.000 2.217) 2.217 54.655 ( 0.000 0.000 -4.077) 4.077 55.166 ( 0.000 0.000 6.311) 6.311 55.557 ( 0.000 0.000 -5.315) 5.315 ======================= Grid point 127 (42/80) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 12.192 0.000 11.009) 16.427 0.886 ( 14.098 0.000 13.520) 19.533 1.395 ( 5.762 0.000 10.536) 12.009 1.407 ( 2.868 0.000 -10.030) 10.432 1.612 ( 8.080 0.000 13.185) 15.464 1.974 ( -7.313 0.000 3.702) 8.196 2.016 ( -11.210 0.000 9.452) 14.663 2.096 ( 1.925 0.000 9.143) 9.344 2.130 ( -8.394 0.000 -1.557) 8.537 2.279 ( 1.014 0.000 5.880) 5.967 2.523 ( -7.738 0.000 3.330) 8.424 2.614 ( -6.881 0.000 2.720) 7.400 2.794 ( 4.368 0.000 -0.202) 4.373 2.888 ( 8.932 0.000 -1.951) 9.143 2.999 ( 3.049 0.000 -4.760) 5.653 3.171 ( 5.755 0.000 1.031) 5.846 3.188 ( -2.123 0.000 6.620) 6.952 3.502 ( -1.397 0.000 -4.782) 4.982 3.502 ( -2.155 0.000 -4.144) 4.671 3.566 ( -3.037 0.000 -7.082) 7.705 3.686 ( 0.718 0.000 -4.181) 4.242 3.893 ( 0.164 0.000 5.503) 5.505 3.971 ( 4.168 0.000 -7.893) 8.926 4.230 ( 0.085 0.000 -3.857) 3.858 8.774 ( 12.628 0.000 -2.989) 12.976 8.833 ( 14.619 0.000 -4.131) 15.192 9.066 ( 0.646 0.000 2.201) 2.294 9.078 ( 1.026 0.000 4.707) 4.818 9.263 ( 0.996 0.000 -2.715) 2.891 9.433 ( -1.450 0.000 6.153) 6.321 10.104 ( 1.607 0.000 -10.201) 10.327 10.306 ( -11.847 0.000 0.683) 11.867 10.355 ( -2.287 0.000 -5.473) 5.932 10.446 ( -11.842 0.000 -2.900) 12.191 10.906 ( 1.538 0.000 5.966) 6.161 11.121 ( -1.765 0.000 2.239) 2.851 19.955 ( 0.731 0.000 3.009) 3.096 20.049 ( -0.761 0.000 0.549) 0.939 20.940 ( 0.581 0.000 -0.349) 0.678 21.033 ( -0.905 0.000 -3.044) 3.176 21.272 ( -1.348 0.000 5.423) 5.588 21.607 ( 3.087 0.000 -4.753) 5.667 21.810 ( -29.395 0.000 18.025) 34.482 22.074 ( -6.720 0.000 3.462) 7.559 22.858 ( 10.581 0.000 -1.141) 10.642 23.251 ( 30.786 0.000 -17.358) 35.342 23.821 ( -7.149 0.000 3.872) 8.131 24.195 ( -3.490 0.000 -6.284) 7.188 24.464 ( 1.397 0.000 1.706) 2.205 24.496 ( 2.325 0.000 0.141) 2.329 24.504 ( 0.312 0.000 0.086) 0.324 24.530 ( 0.205 0.000 -0.835) 0.860 24.571 ( -0.708 0.000 -1.443) 1.608 24.605 ( -0.189 0.000 0.510) 0.544 24.612 ( -0.062 0.000 0.130) 0.144 24.647 ( -0.682 0.000 -2.409) 2.503 51.821 ( 0.183 0.000 2.542) 2.549 51.845 ( -0.202 0.000 1.902) 1.913 52.131 ( 0.131 0.000 -1.597) 1.602 52.147 ( -0.117 0.000 -2.050) 2.053 52.554 ( -2.879 0.000 2.294) 3.682 52.712 ( 4.476 0.000 -2.326) 5.045 53.003 ( -18.673 0.000 10.099) 21.229 53.214 ( -4.980 0.000 -0.264) 4.986 53.710 ( 2.288 0.000 0.233) 2.300 53.794 ( 4.967 0.000 -3.015) 5.810 53.983 ( 3.872 0.000 0.230) 3.878 54.083 ( -0.696 0.000 -1.997) 2.115 54.494 ( 3.597 0.000 2.131) 4.181 54.716 ( 3.992 0.000 -6.120) 7.307 55.217 ( 5.019 0.000 3.444) 6.087 55.538 ( -1.901 0.000 -4.942) 5.295 ======================= Grid point 128 (43/80) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 15.965 0.000 6.279) 17.155 1.188 ( 16.391 0.000 11.531) 20.041 1.448 ( -0.718 0.000 -6.246) 6.287 1.569 ( 12.136 0.000 7.702) 14.374 1.745 ( -7.520 0.000 13.659) 15.592 1.818 ( -6.468 0.000 1.316) 6.601 1.839 ( 4.485 0.000 5.254) 6.908 1.962 ( -8.702 0.000 -2.550) 9.068 2.105 ( -2.993 0.000 5.159) 5.964 2.248 ( -1.812 0.000 3.205) 3.682 2.367 ( -7.769 0.000 11.735) 14.074 2.466 ( -8.054 0.000 2.311) 8.379 2.899 ( 6.121 0.000 2.291) 6.535 3.056 ( 5.650 0.000 0.092) 5.651 3.081 ( 4.952 0.000 -2.439) 5.520 3.145 ( 0.119 0.000 3.313) 3.315 3.225 ( -0.370 0.000 -1.285) 1.338 3.412 ( -6.177 0.000 -3.064) 6.895 3.496 ( -0.520 0.000 -7.576) 7.594 3.507 ( -1.776 0.000 -4.407) 4.751 3.737 ( 3.570 0.000 -1.162) 3.755 3.854 ( -2.586 0.000 5.009) 5.638 4.085 ( 5.840 0.000 -8.005) 9.909 4.219 ( -1.389 0.000 -4.986) 5.176 9.083 ( 0.969 0.000 2.386) 2.576 9.096 ( 0.637 0.000 3.770) 3.824 9.111 ( 21.778 0.000 -1.654) 21.841 9.203 ( 23.271 0.000 -3.678) 23.560 9.293 ( 2.143 0.000 -0.573) 2.218 9.394 ( -2.524 0.000 4.732) 5.363 9.993 ( -20.481 0.000 0.327) 20.484 10.127 ( -21.089 0.000 -2.938) 21.293 10.149 ( 3.103 0.000 -9.572) 10.062 10.295 ( -3.819 0.000 -6.945) 7.926 10.948 ( 2.874 0.000 5.708) 6.391 11.074 ( -3.073 0.000 3.361) 4.554 19.974 ( 1.282 0.000 2.543) 2.848 20.029 ( -1.314 0.000 1.128) 1.731 20.956 ( 1.123 0.000 -0.966) 1.481 21.010 ( -1.445 0.000 -2.513) 2.899 21.249 ( -0.619 0.000 9.571) 9.591 21.413 ( -12.945 0.000 20.058) 23.872 21.690 ( 5.328 0.000 -4.843) 7.200 21.939 ( -7.284 0.000 -1.122) 7.370 23.102 ( 14.255 0.000 2.048) 14.401 23.614 ( -6.945 0.000 0.255) 6.950 23.716 ( 12.009 0.000 -13.568) 18.120 24.100 ( -6.464 0.000 -8.254) 10.484 24.496 ( 1.836 0.000 0.504) 1.904 24.513 ( 0.594 0.000 -0.049) 0.596 24.532 ( -0.118 0.000 -0.726) 0.735 24.543 ( 1.939 0.000 -0.454) 1.992 24.557 ( -0.354 0.000 -2.319) 2.346 24.603 ( -0.014 0.000 0.483) 0.483 24.610 ( -0.196 0.000 0.142) 0.241 24.625 ( -1.522 0.000 -2.613) 3.024 51.826 ( 0.323 0.000 2.415) 2.436 51.840 ( -0.342 0.000 2.046) 2.074 52.135 ( 0.221 0.000 -1.702) 1.717 52.144 ( -0.207 0.000 -1.963) 1.974 52.524 ( -0.058 0.000 5.163) 5.164 52.685 ( -8.723 0.000 8.041) 11.864 52.852 ( 4.198 0.000 0.063) 4.198 53.096 ( -6.899 0.000 -1.888) 7.153 53.759 ( 2.685 0.000 0.886) 2.827 53.827 ( -0.237 0.000 -0.592) 0.638 54.043 ( 1.973 0.000 -1.364) 2.399 54.071 ( -0.446 0.000 -1.780) 1.835 54.584 ( 5.433 0.000 1.518) 5.641 54.744 ( -1.186 0.000 -3.652) 3.840 55.327 ( 5.723 0.000 -1.697) 5.969 55.489 ( -3.088 0.000 -4.407) 5.381 ======================= Grid point 129 (44/80) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -13.455 0.000 1.668) 13.558 1.302 ( 13.455 0.000 1.668) 13.558 1.488 ( -15.069 0.000 11.869) 19.183 1.488 ( 15.069 0.000 11.869) 19.183 1.818 ( -11.848 0.000 3.631) 12.392 1.818 ( 11.848 0.000 3.631) 12.392 1.818 ( -5.544 0.000 -2.996) 6.302 1.818 ( 5.544 0.000 -2.996) 6.302 2.146 ( -9.643 0.000 4.212) 10.523 2.146 ( 9.643 0.000 4.212) 10.523 2.336 ( -4.880 0.000 9.322) 10.522 2.336 ( 4.880 0.000 9.322) 10.522 3.012 ( -5.460 0.000 4.246) 6.917 3.012 ( 5.460 0.000 4.246) 6.917 3.173 ( -4.381 0.000 -1.395) 4.597 3.173 ( 4.381 0.000 -1.395) 4.597 3.272 ( -8.339 0.000 -2.660) 8.753 3.272 ( 8.339 0.000 -2.660) 8.753 3.492 ( -0.375 0.000 -6.433) 6.444 3.492 ( 0.375 0.000 -6.433) 6.444 3.802 ( -3.048 0.000 1.924) 3.605 3.802 ( 3.048 0.000 1.924) 3.605 4.174 ( -3.468 0.000 -6.244) 7.142 4.174 ( 3.468 0.000 -6.244) 7.142 9.098 ( -0.453 0.000 2.807) 2.843 9.098 ( 0.453 0.000 2.807) 2.843 9.342 ( -2.838 0.000 2.337) 3.677 9.342 ( 2.838 0.000 2.337) 3.677 9.559 ( -24.257 0.000 -0.481) 24.262 9.559 ( 24.257 0.000 -0.481) 24.262 9.676 ( -25.410 0.000 -3.168) 25.607 9.676 ( 25.410 0.000 -3.168) 25.607 10.218 ( -4.042 0.000 -8.438) 9.356 10.218 ( 4.042 0.000 -8.438) 9.356 11.010 ( -3.492 0.000 4.725) 5.875 11.010 ( 3.492 0.000 4.725) 5.875 20.001 ( -1.502 0.000 1.864) 2.394 20.001 ( 1.502 0.000 1.864) 2.394 20.981 ( -1.481 0.000 -1.761) 2.301 20.981 ( 1.481 0.000 -1.761) 2.301 21.269 ( -3.418 0.000 15.070) 15.452 21.269 ( 3.418 0.000 15.070) 15.452 21.805 ( -6.686 0.000 -3.855) 7.718 21.805 ( 6.686 0.000 -3.855) 7.718 23.376 ( -14.178 0.000 3.664) 14.643 23.376 ( 14.178 0.000 3.664) 14.643 23.948 ( -9.820 0.000 -12.304) 15.742 23.948 ( 9.820 0.000 -12.304) 15.742 24.525 ( -0.571 0.000 -0.362) 0.676 24.525 ( 0.571 0.000 -0.362) 0.676 24.529 ( -1.558 0.000 -0.435) 1.617 24.529 ( 1.558 0.000 -0.435) 1.617 24.591 ( -2.068 0.000 -2.592) 3.316 24.591 ( 2.068 0.000 -2.592) 3.316 24.605 ( -0.232 0.000 0.277) 0.361 24.605 ( 0.232 0.000 0.277) 0.361 51.833 ( -0.383 0.000 2.235) 2.267 51.833 ( 0.383 0.000 2.235) 2.267 52.139 ( -0.247 0.000 -1.837) 1.854 52.139 ( 0.247 0.000 -1.837) 1.854 52.560 ( -4.063 0.000 7.693) 8.700 52.560 ( 4.063 0.000 7.693) 8.700 52.965 ( -6.721 0.000 -2.429) 7.146 52.965 ( 6.721 0.000 -2.429) 7.146 53.805 ( -1.960 0.000 0.717) 2.087 53.805 ( 1.960 0.000 0.717) 2.087 54.064 ( -0.505 0.000 -1.675) 1.750 54.064 ( 0.505 0.000 -1.675) 1.750 54.684 ( -4.667 0.000 -0.285) 4.676 54.684 ( 4.667 0.000 -0.285) 4.676 55.421 ( -4.174 0.000 -3.820) 5.658 55.421 ( 4.174 0.000 -3.820) 5.658 ======================= Grid point 133 (45/80) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 0.000 16.329 12.097) 20.321 0.869 ( 0.000 12.329 13.136) 18.016 1.376 ( 0.000 3.829 6.807) 7.810 1.498 ( 0.000 10.606 -9.671) 14.353 1.576 ( 0.000 4.607 16.076) 16.723 2.017 ( 0.000 -4.799 7.989) 9.320 2.028 ( 0.000 -2.432 4.428) 5.052 2.064 ( 0.000 -10.653 1.524) 10.761 2.191 ( 0.000 -1.431 5.055) 5.253 2.217 ( 0.000 -0.820 7.970) 8.012 2.449 ( 0.000 -7.606 1.924) 7.845 2.585 ( 0.000 -6.111 1.241) 6.236 2.894 ( 0.000 3.302 -0.785) 3.394 2.922 ( 0.000 9.521 2.107) 9.752 3.009 ( 0.000 1.615 -9.927) 10.058 3.086 ( 0.000 2.046 7.579) 7.851 3.185 ( 0.000 -0.301 2.918) 2.933 3.456 ( 0.000 -4.695 -7.969) 9.249 3.480 ( 0.000 -3.631 -2.574) 4.451 3.623 ( 0.000 1.231 -5.301) 5.442 3.720 ( 0.000 0.720 -5.765) 5.809 3.875 ( 0.000 2.983 -0.146) 2.987 3.956 ( 0.000 -0.574 -1.043) 1.190 4.181 ( 0.000 -3.995 -3.209) 5.124 8.571 ( 0.000 -6.348 -4.816) 7.968 8.616 ( 0.000 -5.658 -4.949) 7.517 9.132 ( 0.000 6.047 1.453) 6.219 9.182 ( 0.000 9.266 6.345) 11.230 9.313 ( 0.000 5.492 -3.562) 6.546 9.491 ( 0.000 4.001 6.306) 7.468 10.118 ( 0.000 2.780 -9.655) 10.047 10.341 ( 0.000 -2.426 -4.823) 5.399 10.441 ( 0.000 1.812 1.145) 2.144 10.616 ( 0.000 4.030 -2.191) 4.587 10.880 ( 0.000 -1.100 5.301) 5.414 11.111 ( 0.000 -2.709 1.992) 3.363 20.064 ( 0.000 9.327 -2.153) 9.572 20.110 ( 0.000 4.965 -0.347) 4.977 20.919 ( 0.000 -1.336 -0.488) 1.422 21.029 ( 0.000 -1.230 -3.229) 3.456 21.328 ( 0.000 3.706 2.682) 4.574 21.599 ( 0.000 1.788 -3.964) 4.349 22.139 ( 0.000 0.937 7.121) 7.182 22.508 ( 0.000 0.847 3.889) 3.981 22.551 ( 0.000 -1.668 -3.076) 3.500 22.757 ( 0.000 1.134 -3.719) 3.888 23.872 ( 0.000 -1.856 3.408) 3.880 24.195 ( 0.000 -3.502 -5.513) 6.531 24.374 ( 0.000 -4.106 0.828) 4.189 24.416 ( 0.000 -2.397 0.690) 2.494 24.491 ( 0.000 -5.458 2.570) 6.033 24.519 ( 0.000 -1.555 0.402) 1.606 24.578 ( 0.000 -0.170 -0.459) 0.490 24.613 ( 0.000 -0.989 -0.511) 1.113 24.621 ( 0.000 1.455 0.098) 1.458 24.665 ( 0.000 3.499 -1.627) 3.859 51.870 ( 0.000 2.087 1.020) 2.322 51.871 ( 0.000 4.394 -0.956) 4.496 52.155 ( 0.000 2.345 -1.458) 2.761 52.166 ( 0.000 1.906 -1.599) 2.488 52.622 ( 0.000 -0.821 -0.272) 0.865 52.630 ( 0.000 0.717 -1.000) 1.230 53.252 ( 0.000 -1.196 1.565) 1.969 53.317 ( 0.000 0.341 0.103) 0.356 53.645 ( 0.000 0.019 1.199) 1.200 53.688 ( 0.000 -0.255 -0.140) 0.291 53.940 ( 0.000 -0.102 1.548) 1.551 54.068 ( 0.000 -1.985 -1.405) 2.432 54.466 ( 0.000 0.722 2.184) 2.300 54.655 ( 0.000 -0.025 -3.824) 3.824 55.156 ( 0.000 -0.888 5.993) 6.058 55.513 ( 0.000 -3.771 -4.017) 5.510 ======================= Grid point 134 (46/80) ======================= q-point: ( 0.17 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 3.934 8.466 12.945) 15.960 1.072 ( 13.727 13.120 11.575) 22.239 1.425 ( 5.204 3.745 3.878) 7.493 1.496 ( 0.614 7.268 -4.862) 8.765 1.670 ( 7.899 5.365 11.384) 14.858 1.860 ( -10.244 -6.881 3.226) 12.755 2.005 ( -3.153 -5.589 3.263) 7.199 2.092 ( -2.254 1.625 8.134) 8.595 2.116 ( -4.314 -0.501 6.003) 7.409 2.245 ( 2.219 -2.874 4.808) 6.025 2.457 ( -1.842 -4.238 4.862) 6.708 2.597 ( 0.150 -3.528 1.421) 3.806 2.889 ( 1.063 5.328 -0.425) 5.449 2.901 ( -1.403 3.542 -4.868) 6.181 3.014 ( 3.673 0.110 0.375) 3.693 3.162 ( -0.330 0.196 1.584) 1.630 3.202 ( 5.197 1.294 1.960) 5.703 3.395 ( -3.812 -5.698 -6.142) 9.204 3.543 ( 3.455 -1.233 -2.879) 4.663 3.611 ( -1.356 2.779 -4.857) 5.758 3.693 ( -2.024 1.614 -4.571) 5.254 3.882 ( -2.380 -1.429 6.204) 6.797 3.942 ( 2.193 -1.856 -7.561) 8.088 4.185 ( -0.103 -3.997 -3.708) 5.453 8.687 ( 11.859 -6.308 -4.028) 14.023 8.753 ( 13.411 -6.160 -4.758) 15.506 9.149 ( 1.927 6.536 1.305) 6.938 9.196 ( 1.321 9.382 5.660) 11.036 9.324 ( 1.408 5.489 -2.645) 6.254 9.475 ( -1.602 3.766 5.911) 7.189 10.122 ( -0.089 1.896 -9.010) 9.208 10.292 ( -5.834 -3.351 -5.185) 8.494 10.341 ( -9.595 3.131 0.682) 10.116 10.531 ( -7.974 5.315 -2.538) 9.914 10.893 ( 1.405 -1.241 5.503) 5.814 11.095 ( -1.681 -2.639 2.396) 3.941 20.064 ( 0.016 8.876 -1.712) 9.040 20.106 ( -0.472 5.271 -0.347) 5.303 20.919 ( -0.019 -1.821 -0.571) 1.909 21.013 ( -1.589 -1.764 -2.812) 3.681 21.320 ( -0.622 4.257 4.010) 5.881 21.626 ( 2.695 1.338 -3.793) 4.842 21.881 ( -27.022 6.553 15.108) 31.645 22.082 ( -6.314 0.937 4.448) 7.780 22.864 ( 10.142 0.504 -1.231) 10.229 23.183 ( 29.281 -6.072 -13.759) 32.918 23.801 ( -7.126 -1.741 3.683) 8.208 24.163 ( -3.459 -3.398 -6.249) 7.910 24.375 ( 0.151 -4.871 1.197) 5.018 24.428 ( 1.109 -2.604 -0.218) 2.839 24.448 ( -2.670 -6.313 2.653) 7.350 24.529 ( -0.412 -3.168 -0.315) 3.210 24.583 ( 0.877 1.187 -0.218) 1.492 24.622 ( 0.334 1.929 -0.348) 1.988 24.648 ( 2.531 1.580 -0.745) 3.076 24.680 ( 1.292 2.940 -1.733) 3.649 51.869 ( -0.173 3.552 -0.269) 3.566 51.869 ( -0.139 2.732 0.543) 2.789 52.155 ( 0.004 2.021 -1.527) 2.533 52.167 ( 0.086 2.284 -1.650) 2.819 52.556 ( -2.762 0.022 2.060) 3.446 52.711 ( 4.224 -0.196 -2.429) 4.876 53.045 ( -17.240 3.399 8.522) 19.529 53.206 ( -4.627 -0.796 0.543) 4.726 53.708 ( 2.188 -0.148 0.311) 2.215 53.786 ( 5.455 -0.785 -2.877) 6.217 53.974 ( 3.314 -0.884 0.540) 3.472 54.064 ( -0.357 -1.682 -1.377) 2.203 54.501 ( 3.542 0.655 2.142) 4.191 54.710 ( 4.016 -0.448 -5.439) 6.776 55.188 ( 3.348 -2.448 4.302) 5.976 55.494 ( -2.009 -3.889 -3.859) 5.835 ======================= Grid point 135 (47/80) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 12.127 -0.085 9.414) 15.352 1.328 ( 12.321 7.980 12.870) 19.522 1.451 ( -7.016 -0.958 -1.897) 7.331 1.565 ( 7.123 -0.341 -0.674) 7.163 1.702 ( -1.666 0.662 3.301) 3.756 1.799 ( -2.488 3.098 10.029) 10.787 1.920 ( -3.391 -1.276 1.875) 4.079 2.031 ( 5.424 8.607 3.070) 10.627 2.118 ( -1.191 0.686 6.547) 6.690 2.241 ( -2.092 0.305 3.637) 4.207 2.376 ( -4.779 -0.287 10.061) 11.142 2.519 ( -8.354 5.014 1.300) 9.830 2.932 ( 4.487 1.208 -1.210) 4.802 2.980 ( 7.376 -4.551 -3.341) 9.289 3.075 ( 0.637 -0.822 1.326) 1.685 3.146 ( 0.543 1.048 1.019) 1.559 3.266 ( 0.327 -0.687 -0.444) 0.882 3.312 ( -5.043 -3.732 -4.299) 7.605 3.569 ( -1.348 4.393 -3.317) 5.667 3.579 ( -0.809 5.173 -3.196) 6.134 3.695 ( 2.641 -3.550 -2.415) 5.041 3.817 ( -3.292 -3.734 3.585) 6.134 4.023 ( 4.903 -5.224 -6.142) 9.437 4.165 ( -2.050 -4.781 -4.560) 6.917 8.975 ( 15.735 -5.822 -1.717) 16.865 9.047 ( 12.815 -4.794 -1.527) 13.767 9.222 ( 3.415 5.753 0.913) 6.752 9.236 ( 7.873 6.317 0.326) 10.100 9.383 ( 5.522 6.440 0.604) 8.505 9.440 ( -0.903 3.267 3.956) 5.210 9.989 ( -16.579 0.826 -0.931) 16.625 10.074 ( -17.410 -2.874 -4.179) 18.134 10.223 ( 0.696 5.852 -6.722) 8.940 10.381 ( -6.518 6.046 -4.870) 10.136 10.933 ( 2.651 -1.596 5.480) 6.294 11.050 ( -2.901 -2.410 3.450) 5.111 20.067 ( 0.352 7.845 -0.881) 7.902 20.093 ( -0.814 5.934 -0.295) 5.996 20.921 ( 0.348 -2.916 -0.581) 2.993 20.975 ( -2.215 -2.857 -1.790) 4.035 21.316 ( 0.505 5.718 7.611) 9.533 21.501 ( -12.467 7.505 17.857) 23.035 21.708 ( 4.934 1.926 -4.140) 6.722 21.952 ( -7.154 1.340 0.142) 7.279 23.100 ( 13.906 -0.165 1.765) 14.019 23.600 ( 0.507 -2.097 -4.222) 4.742 23.642 ( 5.559 -6.190 -7.191) 10.997 24.062 ( -7.097 -3.959 -8.311) 11.624 24.379 ( 0.222 -6.169 1.521) 6.358 24.406 ( -1.585 -7.326 1.941) 7.743 24.455 ( 1.500 -2.997 -0.649) 3.413 24.510 ( -1.278 -3.705 -1.050) 4.058 24.604 ( 1.128 1.952 0.114) 2.257 24.627 ( 0.066 2.226 -0.123) 2.230 24.690 ( 1.661 4.602 -1.816) 5.219 24.705 ( 1.049 3.132 -2.528) 4.160 51.865 ( -0.147 3.430 -0.068) 3.434 51.866 ( -0.157 2.426 0.752) 2.545 52.157 ( 0.219 1.882 -1.688) 2.537 52.167 ( -0.133 2.513 -1.783) 3.084 52.531 ( 0.407 0.586 4.955) 5.006 52.705 ( -7.291 1.509 5.346) 9.166 52.874 ( 2.089 2.122 1.996) 3.585 53.096 ( -6.525 -0.126 -1.053) 6.611 53.756 ( 2.676 -0.219 0.881) 2.826 53.825 ( -0.146 -0.223 -0.720) 0.768 54.030 ( 2.021 -1.296 -1.255) 2.709 54.058 ( -0.231 -1.240 -1.450) 1.922 54.590 ( 5.432 0.604 1.567) 5.686 54.746 ( -0.769 0.218 -3.537) 3.626 55.274 ( 5.105 -4.752 -0.136) 6.976 55.441 ( -3.398 -4.326 -3.590) 6.569 ======================= Grid point 136 (48/80) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -13.858 -5.008 5.093) 15.591 1.214 ( 13.858 -5.008 5.093) 15.591 1.572 ( -11.113 5.345 10.367) 16.110 1.572 ( 11.113 5.345 10.367) 16.110 1.698 ( -5.985 -2.481 -1.432) 6.635 1.698 ( 5.985 -2.481 -1.432) 6.635 1.995 ( -9.250 6.922 3.411) 12.046 1.995 ( 9.250 6.922 3.411) 12.046 2.203 ( -6.112 3.895 2.045) 7.530 2.203 ( 6.112 3.895 2.045) 7.530 2.350 ( -5.398 3.611 8.508) 10.704 2.350 ( 5.398 3.611 8.508) 10.704 3.024 ( -4.510 0.279 0.491) 4.545 3.024 ( 4.510 0.279 0.491) 4.545 3.128 ( -6.291 -5.996 -2.664) 9.090 3.128 ( 6.291 -5.996 -2.664) 9.090 3.246 ( -1.623 0.773 -0.076) 1.799 3.246 ( 1.623 0.773 -0.076) 1.799 3.562 ( -0.671 5.051 -4.262) 6.643 3.562 ( 0.671 5.051 -4.262) 6.643 3.757 ( -3.244 -4.183 0.946) 5.377 3.757 ( 3.244 -4.183 0.946) 5.377 4.108 ( -3.880 -5.785 -5.325) 8.768 4.108 ( 3.880 -5.785 -5.325) 8.768 9.135 ( -1.345 2.478 2.227) 3.593 9.135 ( 1.345 2.478 2.227) 3.593 9.309 ( -4.672 -1.128 0.185) 4.809 9.309 ( 4.672 -1.128 0.185) 4.809 9.574 ( -7.837 -1.319 -2.217) 8.251 9.574 ( 7.837 -1.319 -2.217) 8.251 9.711 ( -10.174 5.568 -0.149) 11.599 9.711 ( 10.174 5.568 -0.149) 11.599 10.280 ( -4.321 5.216 -6.982) 9.728 10.280 ( 4.321 5.216 -6.982) 9.728 10.990 ( -3.260 -2.034 4.689) 6.063 10.990 ( 3.260 -2.034 4.689) 6.063 20.077 ( -0.756 6.780 -0.370) 6.832 20.077 ( 0.756 6.780 -0.370) 6.832 20.938 ( -1.477 -3.448 -0.837) 3.843 20.938 ( 1.477 -3.448 -0.837) 3.843 21.354 ( -4.056 7.260 12.891) 15.341 21.354 ( 4.056 7.260 12.891) 15.341 21.820 ( -6.594 1.422 -2.767) 7.291 21.820 ( 6.594 1.422 -2.767) 7.291 23.369 ( -13.948 -0.676 3.372) 14.365 23.369 ( 13.948 -0.676 3.372) 14.365 23.892 ( -11.016 -5.578 -11.733) 17.033 23.892 ( 11.016 -5.578 -11.733) 17.033 24.386 ( -0.607 -7.129 1.734) 7.362 24.386 ( 0.607 -7.129 1.734) 7.362 24.484 ( -1.475 -3.471 -1.138) 3.939 24.484 ( 1.475 -3.471 -1.138) 3.939 24.622 ( -0.659 2.223 0.126) 2.322 24.622 ( 0.659 2.223 0.126) 2.322 24.711 ( -0.472 4.521 -2.590) 5.231 24.711 ( 0.472 4.521 -2.590) 5.231 51.864 ( -0.035 2.815 0.439) 2.849 51.864 ( 0.035 2.815 0.439) 2.849 52.162 ( -0.318 2.210 -1.818) 2.879 52.162 ( 0.318 2.210 -1.818) 2.879 52.579 ( -4.706 1.631 7.128) 8.695 52.579 ( 4.706 1.631 7.128) 8.695 52.971 ( -6.326 0.527 -1.592) 6.544 52.971 ( 6.326 0.527 -1.592) 6.544 53.802 ( -1.973 -0.191 0.656) 2.088 53.802 ( 1.973 -0.191 0.656) 2.088 54.052 ( -0.513 -1.154 -1.554) 2.002 54.052 ( 0.513 -1.154 -1.554) 2.002 54.690 ( -4.615 0.602 -0.217) 4.659 54.690 ( 4.615 0.602 -0.217) 4.659 55.366 ( -4.468 -4.964 -2.839) 7.257 55.366 ( 4.468 -4.964 -2.839) 7.257 ======================= Grid point 140 (49/80) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.000 11.201 14.378) 18.226 1.192 ( 0.000 17.850 7.616) 19.406 1.525 ( 0.000 9.373 -1.036) 9.430 1.714 ( 0.000 6.503 10.358) 12.231 1.728 ( 0.000 7.675 -5.986) 9.733 1.860 ( 0.000 -4.760 5.101) 6.977 1.861 ( 0.000 -8.219 7.000) 10.796 1.990 ( 0.000 -0.183 0.912) 0.930 2.087 ( 0.000 -6.698 3.727) 7.665 2.194 ( 0.000 -2.042 5.201) 5.587 2.418 ( 0.000 3.198 4.902) 5.853 2.454 ( 0.000 -5.621 6.064) 8.268 2.855 ( 0.000 -5.471 4.351) 6.990 2.993 ( 0.000 -1.748 -6.483) 6.715 3.075 ( 0.000 3.172 -3.925) 5.047 3.134 ( 0.000 0.445 2.517) 2.556 3.259 ( 0.000 6.068 0.575) 6.095 3.359 ( 0.000 -6.597 -2.263) 6.974 3.382 ( 0.000 -1.757 -6.899) 7.119 3.614 ( 0.000 -2.070 -3.786) 4.314 3.741 ( 0.000 0.895 -3.002) 3.133 3.877 ( 0.000 -3.084 3.630) 4.763 3.990 ( 0.000 3.691 -2.943) 4.720 4.090 ( 0.000 -3.882 -2.602) 4.674 8.440 ( 0.000 -5.850 -6.960) 9.092 8.487 ( 0.000 -6.338 -6.864) 9.342 9.277 ( 0.000 7.291 2.887) 7.842 9.366 ( 0.000 6.995 6.228) 9.366 9.488 ( 0.000 11.713 -2.659) 12.011 9.600 ( 0.000 6.439 3.075) 7.136 10.198 ( 0.000 4.785 -7.229) 8.669 10.306 ( 0.000 -0.588 -4.809) 4.845 10.496 ( 0.000 3.395 1.782) 3.834 10.684 ( 0.000 1.765 0.293) 1.789 10.846 ( 0.000 -2.100 3.089) 3.736 11.023 ( 0.000 -5.859 2.401) 6.332 20.243 ( 0.000 7.353 -2.004) 7.621 20.261 ( 0.000 8.939 -7.047) 11.382 20.884 ( 0.000 -2.055 -2.008) 2.873 20.991 ( 0.000 -2.492 -4.467) 5.115 21.423 ( 0.000 5.122 1.263) 5.276 21.633 ( 0.000 1.284 -1.481) 1.960 22.178 ( 0.000 3.045 8.572) 9.097 22.505 ( 0.000 -2.407 0.135) 2.411 22.536 ( 0.000 1.918 3.667) 4.138 22.788 ( 0.000 1.426 -3.805) 4.064 23.825 ( 0.000 -2.498 2.872) 3.806 24.090 ( 0.000 -6.318 -3.824) 7.385 24.311 ( 0.000 -2.816 0.293) 2.831 24.368 ( 0.000 -2.110 -0.666) 2.213 24.380 ( 0.000 -3.323 3.300) 4.683 24.469 ( 0.000 -2.867 -0.029) 2.867 24.567 ( 0.000 -0.837 0.142) 0.849 24.589 ( 0.000 -1.314 -0.477) 1.398 24.658 ( 0.000 1.830 0.646) 1.941 24.731 ( 0.000 2.214 -1.526) 2.688 51.927 ( 0.000 3.339 -0.687) 3.409 51.979 ( 0.000 5.750 -4.910) 7.562 52.220 ( 0.000 3.672 -1.318) 3.902 52.233 ( 0.000 4.585 -0.538) 4.616 52.594 ( 0.000 -1.817 0.228) 1.831 52.636 ( 0.000 -0.416 -2.747) 2.779 53.216 ( 0.000 -2.223 3.087) 3.804 53.305 ( 0.000 -1.679 1.277) 2.110 53.648 ( 0.000 0.276 1.269) 1.298 53.684 ( 0.000 -0.156 0.259) 0.302 53.938 ( 0.000 -0.142 1.012) 1.022 54.022 ( 0.000 -2.226 -0.741) 2.346 54.490 ( 0.000 1.587 1.969) 2.529 54.654 ( 0.000 -0.078 -3.054) 3.055 55.134 ( 0.000 -1.089 4.972) 5.089 55.418 ( 0.000 -5.176 -2.555) 5.772 ======================= Grid point 141 (50/80) ======================= q-point: ( 0.17 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -2.019 15.273 11.385) 19.156 1.310 ( 7.512 9.355 13.905) 18.365 1.542 ( -0.990 2.494 -0.737) 2.782 1.607 ( -6.072 3.804 -3.215) 7.853 1.767 ( 1.762 6.283 7.261) 9.762 1.829 ( 4.236 0.241 0.767) 4.311 1.926 ( -0.054 1.623 3.021) 3.430 2.040 ( 3.573 -2.261 6.296) 7.584 2.112 ( 1.014 -3.263 4.483) 5.637 2.233 ( 4.303 2.139 6.783) 8.313 2.388 ( 0.251 -3.178 3.036) 4.403 2.495 ( 1.958 -3.518 5.834) 7.088 2.900 ( 3.847 -4.354 2.147) 6.194 2.953 ( -3.913 -0.030 -6.265) 7.387 3.047 ( -0.519 2.771 -1.564) 3.224 3.158 ( -0.549 -5.713 -1.489) 5.930 3.242 ( -2.100 6.020 -0.334) 6.384 3.320 ( 0.160 -0.679 -1.344) 1.515 3.467 ( 5.713 -4.472 -4.733) 8.662 3.638 ( 1.952 -0.925 -2.827) 3.558 3.728 ( -1.069 0.867 -3.878) 4.115 3.812 ( -6.500 -4.345 2.601) 8.240 3.952 ( -2.717 2.460 -1.104) 3.828 4.091 ( -0.751 -4.323 -3.060) 5.349 8.562 ( 12.308 -5.457 -6.255) 14.845 8.619 ( 13.175 -6.324 -6.560) 16.019 9.301 ( 2.447 7.414 2.841) 8.308 9.390 ( 2.056 7.502 6.594) 10.198 9.485 ( -0.004 10.644 -3.053) 11.074 9.576 ( -2.574 5.915 2.501) 6.918 10.184 ( -2.320 4.033 -6.039) 7.623 10.250 ( -6.248 -0.412 -5.037) 8.036 10.424 ( -6.281 4.556 0.983) 7.821 10.621 ( -6.027 2.835 -0.502) 6.679 10.853 ( 0.861 -2.635 3.926) 4.807 11.009 ( -1.459 -5.725 2.743) 6.514 20.239 ( -0.262 7.708 -2.738) 8.184 20.263 ( 0.044 8.901 -6.305) 10.908 20.873 ( -1.079 -2.574 -1.964) 3.413 20.965 ( -2.568 -2.904 -3.924) 5.516 21.428 ( 0.658 5.733 2.279) 6.205 21.650 ( 1.743 0.994 -0.293) 2.028 22.047 ( -20.963 8.546 9.476) 24.541 22.122 ( -5.396 3.160 6.509) 9.026 22.871 ( 9.686 -0.100 -1.163) 9.756 23.034 ( 23.746 -7.449 -6.930) 25.834 23.758 ( -6.683 -2.165 3.016) 7.645 24.053 ( -4.068 -6.907 -4.378) 9.133 24.301 ( -0.865 -3.161 0.890) 3.396 24.340 ( -2.710 -2.583 2.668) 4.597 24.377 ( 0.816 -2.257 -1.283) 2.721 24.459 ( -1.167 -3.364 -1.082) 3.721 24.592 ( 2.192 -0.085 0.656) 2.290 24.644 ( 4.664 -1.024 -0.700) 4.826 24.662 ( 0.369 1.811 0.677) 1.968 24.742 ( 1.048 2.108 -1.677) 2.890 51.928 ( 0.049 3.434 -0.938) 3.560 51.973 ( -0.599 5.681 -4.658) 7.370 52.207 ( -0.600 2.934 -1.164) 3.213 52.245 ( 0.527 5.021 -1.430) 5.247 52.547 ( -2.075 -0.912 1.853) 2.928 52.701 ( 3.959 -0.913 -2.823) 4.948 53.110 ( -13.567 2.265 6.104) 15.048 53.180 ( -3.888 -1.708 2.291) 4.825 53.705 ( 2.053 -0.166 0.557) 2.133 53.765 ( 6.329 -1.170 -2.163) 6.790 53.950 ( 1.432 -1.291 1.034) 2.188 54.024 ( 0.121 -2.021 -0.877) 2.206 54.523 ( 3.431 1.537 1.992) 4.254 54.702 ( 4.055 -0.367 -4.039) 5.736 55.133 ( 0.095 -2.556 4.699) 5.350 55.394 ( -2.494 -5.469 -2.556) 6.532 ======================= Grid point 142 (51/80) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 3.334 10.669 10.192) 15.127 1.347 ( -8.412 -3.210 6.005) 10.822 1.500 ( 7.254 5.920 14.902) 17.599 1.627 ( 3.483 5.449 -6.259) 9.000 1.770 ( -3.669 3.145 -3.079) 5.730 1.861 ( -4.541 3.259 5.988) 8.191 1.958 ( 6.353 3.773 7.697) 10.669 2.079 ( 1.044 -1.557 6.606) 6.867 2.157 ( 5.241 2.168 2.574) 6.229 2.350 ( 6.641 8.840 4.201) 11.828 2.371 ( -3.313 -0.345 6.293) 7.120 2.548 ( 2.549 -3.948 3.401) 5.801 2.888 ( -1.488 -0.922 -4.614) 4.935 2.961 ( 2.253 -2.202 -2.818) 4.227 3.054 ( 0.505 -0.637 -1.765) 1.944 3.104 ( -5.346 -8.426 -2.442) 10.273 3.205 ( 0.826 3.228 0.938) 3.462 3.343 ( -0.172 2.011 -0.669) 2.127 3.579 ( 5.619 -3.650 -2.784) 7.255 3.653 ( -0.810 1.762 -1.285) 2.327 3.675 ( -5.586 -2.968 1.159) 6.431 3.723 ( -0.229 -0.161 -3.511) 3.522 3.918 ( 0.062 -3.864 -1.262) 4.065 4.050 ( -3.560 -5.712 -3.608) 7.637 8.868 ( 18.337 -4.351 -4.611) 19.402 8.935 ( 17.959 -5.376 -4.954) 19.390 9.355 ( 1.786 6.001 2.641) 6.795 9.399 ( -1.876 7.069 3.528) 8.120 9.512 ( -2.073 5.608 -0.375) 5.991 9.525 ( 3.884 6.980 -1.004) 8.051 10.044 ( -12.444 3.598 -1.319) 13.021 10.059 ( -13.129 2.499 -2.305) 13.562 10.353 ( 0.063 6.168 -3.537) 7.110 10.495 ( -6.286 4.381 -2.391) 8.027 10.880 ( 1.909 -3.544 4.676) 6.170 10.971 ( -2.404 -5.283 3.588) 6.824 20.238 ( 0.197 8.246 -3.440) 8.937 20.259 ( -0.510 9.008 -5.443) 10.537 20.852 ( -0.661 -3.554 -1.631) 3.966 20.907 ( -3.149 -3.649 -2.761) 5.554 21.457 ( 2.635 7.470 5.406) 9.590 21.659 ( -4.599 5.905 11.438) 13.669 21.789 ( -2.675 6.725 0.521) 7.256 21.997 ( -7.289 3.027 3.051) 8.462 23.093 ( 13.160 -0.587 1.088) 13.218 23.431 ( 17.711 -10.829 -8.934) 22.600 23.587 ( -10.836 -1.438 2.981) 11.330 23.931 ( -8.730 -8.281 -5.730) 13.328 24.286 ( -0.552 -3.259 1.517) 3.637 24.301 ( -1.398 -2.197 1.779) 3.153 24.395 ( 0.999 -2.670 -1.947) 3.452 24.436 ( -1.202 -3.419 -2.057) 4.167 24.633 ( 1.857 0.896 1.176) 2.374 24.667 ( 0.038 1.623 1.039) 1.927 24.728 ( 3.437 0.016 -2.004) 3.979 24.763 ( 0.917 1.786 -2.097) 2.903 51.931 ( 0.304 3.774 -1.611) 4.115 51.958 ( -0.973 5.222 -3.779) 6.519 52.205 ( 0.440 2.507 -1.746) 3.087 52.243 ( -0.761 4.424 -2.478) 5.127 52.544 ( 1.970 0.759 4.899) 5.334 52.730 ( -3.107 0.822 1.148) 3.412 52.928 ( -2.588 2.561 4.800) 6.024 53.086 ( -5.644 -0.916 0.872) 5.784 53.752 ( 2.742 -0.089 0.846) 2.871 53.821 ( 0.238 -0.035 -1.091) 1.117 53.988 ( 2.023 -2.771 -0.527) 3.471 54.025 ( -0.091 -1.904 -1.141) 2.221 54.611 ( 5.476 1.534 1.567) 5.899 54.756 ( 0.498 0.819 -3.273) 3.410 55.156 ( 2.811 -6.021 2.304) 7.033 55.327 ( -4.358 -6.328 -2.377) 8.043 ======================= Grid point 143 (52/80) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -7.765 2.646 7.550) 11.149 1.179 ( 7.765 2.646 7.550) 11.149 1.666 ( -7.655 4.000 9.535) 12.865 1.666 ( 7.655 4.000 9.535) 12.865 1.718 ( -6.787 3.882 -1.354) 7.935 1.718 ( 6.787 3.882 -1.354) 7.935 2.074 ( -3.010 0.472 5.312) 6.124 2.074 ( 3.010 0.472 5.312) 6.124 2.260 ( -6.093 3.321 4.361) 8.196 2.260 ( 6.093 3.321 4.361) 8.196 2.501 ( -7.148 6.723 2.707) 10.179 2.501 ( 7.148 6.723 2.707) 10.179 2.939 ( -5.515 -7.249 -1.816) 9.288 2.939 ( 5.515 -7.249 -1.816) 9.288 3.043 ( -1.075 -1.449 -3.983) 4.373 3.043 ( 1.075 -1.449 -3.983) 4.373 3.278 ( -5.410 1.091 1.220) 5.652 3.278 ( 5.410 1.091 1.220) 5.652 3.626 ( -0.545 -2.876 -1.796) 3.434 3.626 ( 0.545 -2.876 -1.796) 3.434 3.685 ( -3.820 1.821 -0.582) 4.271 3.685 ( 3.820 1.821 -0.582) 4.271 3.968 ( -4.387 -7.047 -3.568) 9.036 3.968 ( 4.387 -7.047 -3.568) 9.036 9.146 ( -3.846 -0.988 -1.929) 4.414 9.146 ( 3.846 -0.988 -1.929) 4.414 9.325 ( -0.502 0.235 0.360) 0.661 9.325 ( 0.502 0.235 0.360) 0.661 9.570 ( -4.012 3.855 -3.904) 6.797 9.570 ( 4.012 3.855 -3.904) 6.797 9.867 ( -1.402 8.233 2.575) 8.740 9.867 ( 1.402 8.233 2.575) 8.740 10.397 ( -3.946 5.397 -4.143) 7.865 10.397 ( 3.946 5.397 -4.143) 7.865 10.923 ( -2.545 -4.509 4.449) 6.826 10.923 ( 2.545 -4.509 4.449) 6.826 20.246 ( -0.657 8.784 -4.356) 9.827 20.246 ( 0.657 8.784 -4.356) 9.827 20.859 ( -1.525 -3.987 -1.771) 4.621 20.859 ( 1.525 -3.987 -1.771) 4.621 21.534 ( -5.629 9.562 10.406) 15.212 21.534 ( 5.629 9.562 10.406) 15.212 21.861 ( -6.547 2.459 -0.244) 6.998 21.861 ( 6.547 2.459 -0.244) 6.998 23.349 ( -13.317 -1.220 2.485) 13.602 23.349 ( 13.317 -1.220 2.485) 13.602 23.725 ( -12.956 -9.825 -7.634) 17.963 23.725 ( 12.956 -9.825 -7.634) 17.963 24.284 ( -0.415 -2.702 1.582) 3.158 24.284 ( 0.415 -2.702 1.582) 3.158 24.415 ( -1.039 -3.106 -2.280) 3.991 24.415 ( 1.039 -3.106 -2.280) 3.991 24.659 ( -0.893 1.440 1.243) 2.101 24.659 ( 0.893 1.440 1.243) 2.101 24.767 ( -0.749 1.078 -2.427) 2.759 24.767 ( 0.749 1.078 -2.427) 2.759 51.940 ( -0.747 4.428 -2.602) 5.190 51.940 ( 0.747 4.428 -2.602) 5.190 52.222 ( -1.205 3.124 -2.472) 4.162 52.222 ( 1.205 3.124 -2.472) 4.162 52.621 ( -5.828 2.474 6.018) 8.735 52.621 ( 5.828 2.474 6.018) 8.735 52.979 ( -5.241 -0.030 0.383) 5.255 52.979 ( 5.241 -0.030 0.383) 5.255 53.800 ( -2.067 0.091 0.450) 2.117 53.800 ( 2.067 0.091 0.450) 2.117 54.016 ( -0.932 -2.354 -1.258) 2.827 54.016 ( 0.932 -2.354 -1.258) 2.827 54.712 ( -4.522 1.645 -0.098) 4.813 54.712 ( 4.522 1.645 -0.098) 4.813 55.236 ( -4.993 -7.207 -1.115) 8.838 55.236 ( 4.993 -7.207 -1.115) 8.838 ======================= Grid point 147 (53/80) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 5.886 14.280) 15.445 1.544 ( 0.000 12.215 1.862) 12.356 1.563 ( 0.000 -4.449 0.901) 4.540 1.613 ( 0.000 -8.871 3.738) 9.626 1.813 ( 0.000 8.154 0.675) 8.182 1.832 ( 0.000 1.564 2.971) 3.357 1.963 ( 0.000 -4.699 3.869) 6.087 2.030 ( 0.000 11.613 4.064) 12.304 2.098 ( 0.000 8.030 2.408) 8.383 2.109 ( 0.000 -4.509 2.675) 5.243 2.410 ( 0.000 1.983 13.394) 13.540 2.495 ( 0.000 1.977 2.582) 3.252 2.727 ( 0.000 -5.125 5.595) 7.587 2.891 ( 0.000 -9.051 -5.494) 10.588 3.093 ( 0.000 -1.719 -5.917) 6.161 3.096 ( 0.000 -3.074 -4.642) 5.567 3.230 ( 0.000 -0.721 -2.996) 3.082 3.371 ( 0.000 -0.222 0.922) 0.948 3.408 ( 0.000 4.316 0.444) 4.339 3.534 ( 0.000 -5.498 -4.182) 6.908 3.751 ( 0.000 0.191 -2.649) 2.656 3.797 ( 0.000 -3.808 -0.385) 3.828 4.051 ( 0.000 0.103 0.205) 0.230 4.059 ( 0.000 2.523 2.118) 3.295 8.340 ( 0.000 -3.700 -8.671) 9.428 8.370 ( 0.000 -4.661 -8.507) 9.701 9.409 ( 0.000 5.138 5.519) 7.540 9.469 ( 0.000 3.246 5.268) 6.188 9.747 ( 0.000 11.850 -2.489) 12.109 9.750 ( 0.000 7.763 -3.208) 8.400 10.308 ( 0.000 5.727 -3.661) 6.798 10.326 ( 0.000 2.802 -4.061) 4.934 10.574 ( 0.000 4.092 2.271) 4.680 10.665 ( 0.000 -3.629 3.905) 5.331 10.803 ( 0.000 -2.035 0.112) 2.038 10.869 ( 0.000 -9.021 2.728) 9.425 20.393 ( 0.000 6.769 -3.732) 7.729 20.422 ( 0.000 6.610 -8.162) 10.502 20.837 ( 0.000 -2.370 -4.392) 4.990 20.924 ( 0.000 -3.952 -6.893) 7.946 21.525 ( 0.000 4.504 1.565) 4.768 21.649 ( 0.000 0.286 1.493) 1.521 22.262 ( 0.000 4.776 8.757) 9.975 22.460 ( 0.000 -1.999 2.936) 3.552 22.589 ( 0.000 3.303 3.027) 4.480 22.799 ( 0.000 -0.672 -2.816) 2.895 23.781 ( 0.000 -1.436 2.055) 2.507 23.950 ( 0.000 -6.726 -1.413) 6.873 24.269 ( 0.000 -0.790 -0.009) 0.790 24.330 ( 0.000 -1.654 -1.350) 2.135 24.350 ( 0.000 -0.426 0.823) 0.927 24.412 ( 0.000 -2.546 -0.313) 2.565 24.549 ( 0.000 -0.789 0.154) 0.804 24.562 ( 0.000 -1.205 -0.314) 1.245 24.692 ( 0.000 1.471 1.017) 1.788 24.754 ( 0.000 0.167 -0.876) 0.892 52.005 ( 0.000 4.137 -1.859) 4.535 52.092 ( 0.000 4.609 -5.881) 7.472 52.298 ( 0.000 3.910 -1.925) 4.358 52.342 ( 0.000 5.508 0.048) 5.508 52.554 ( 0.000 -1.898 1.080) 2.184 52.603 ( 0.000 -2.808 -4.166) 5.024 53.170 ( 0.000 -1.860 3.994) 4.406 53.252 ( 0.000 -3.199 2.013) 3.780 53.656 ( 0.000 0.467 1.476) 1.548 53.680 ( 0.000 -0.220 0.908) 0.934 53.936 ( 0.000 -0.032 0.175) 0.178 53.981 ( 0.000 -1.711 -0.900) 1.933 54.531 ( 0.000 2.306 1.553) 2.780 54.648 ( 0.000 -0.608 -1.766) 1.868 55.120 ( 0.000 -0.016 3.189) 3.189 55.308 ( 0.000 -5.255 -1.645) 5.506 ======================= Grid point 148 (54/80) ======================= q-point: ( 0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 2.781 7.765 13.230) 15.590 1.440 ( -5.882 2.145 3.018) 6.950 1.591 ( 0.514 9.122 6.502) 11.214 1.674 ( 2.980 -1.824 0.343) 3.510 1.816 ( 3.720 0.789 3.017) 4.854 1.862 ( 2.454 4.454 1.812) 5.399 1.975 ( -0.926 -1.463 5.961) 6.207 2.065 ( 2.541 2.233 -0.793) 3.474 2.119 ( 4.481 6.180 5.313) 9.301 2.176 ( 3.825 -5.498 1.935) 6.972 2.421 ( 1.836 6.127 7.662) 9.980 2.482 ( -0.783 -0.100 5.854) 5.907 2.765 ( 3.471 -7.099 5.006) 9.355 2.897 ( 0.556 -6.415 -4.860) 8.068 3.030 ( -4.666 -3.400 -4.871) 7.554 3.074 ( -1.994 -0.218 -5.288) 5.656 3.314 ( 6.324 -0.217 -1.629) 6.534 3.357 ( -4.013 2.389 -0.620) 4.711 3.402 ( 3.221 -1.350 -1.332) 3.737 3.573 ( 2.769 -3.872 -2.975) 5.613 3.728 ( -3.699 -1.213 -1.404) 4.139 3.744 ( -3.127 -1.494 -1.193) 3.666 4.005 ( -4.732 2.070 1.890) 5.500 4.034 ( -2.649 -0.989 -0.106) 2.830 8.470 ( 13.088 -3.345 -8.004) 15.702 8.505 ( 13.490 -4.529 -8.072) 16.360 9.429 ( 1.738 4.710 5.521) 7.463 9.492 ( 1.774 2.837 5.253) 6.228 9.718 ( -2.933 8.228 -3.875) 9.556 9.729 ( -1.769 10.762 -2.863) 11.276 10.273 ( -4.869 4.015 -3.627) 7.279 10.290 ( -3.657 4.693 -3.200) 6.756 10.517 ( -4.510 4.168 1.910) 6.431 10.632 ( -3.644 -1.725 2.651) 4.825 10.791 ( -0.609 -3.258 1.491) 3.634 10.860 ( -0.977 -8.507 3.063) 9.094 20.394 ( 0.150 6.956 -4.301) 8.180 20.427 ( 0.350 6.787 -7.936) 10.449 20.816 ( -2.014 -2.821 -4.264) 5.495 20.892 ( -3.075 -4.084 -6.314) 8.124 21.541 ( 1.893 4.979 2.157) 5.747 21.667 ( 2.087 0.496 2.438) 3.247 22.187 ( -10.279 5.056 7.629) 13.763 22.227 ( -9.980 6.184 6.491) 13.416 22.846 ( 12.911 -2.401 -0.232) 13.134 22.911 ( 13.478 -3.910 -2.609) 14.274 23.721 ( -6.110 -1.180 2.115) 6.572 23.901 ( -5.153 -7.146 -1.587) 8.952 24.261 ( -0.594 -0.495 -0.005) 0.774 24.318 ( -2.099 -0.324 0.304) 2.146 24.336 ( 0.328 -1.719 -1.648) 2.404 24.395 ( -1.371 -2.746 -1.301) 3.333 24.587 ( 3.200 -0.295 0.698) 3.288 24.619 ( 4.848 -1.315 -0.177) 5.026 24.695 ( 0.308 1.446 1.047) 1.811 24.762 ( 0.738 -0.001 -0.977) 1.224 52.008 ( 0.291 4.252 -2.190) 4.792 52.090 ( -0.363 5.071 -6.061) 7.911 52.264 ( -2.184 2.373 -1.441) 3.532 52.356 ( -0.401 4.814 -2.855) 5.611 52.525 ( 0.101 -0.713 2.795) 2.886 52.671 ( 4.559 -1.973 -2.476) 5.550 53.130 ( -7.927 -0.367 4.410) 9.079 53.142 ( -5.005 -1.604 3.648) 6.398 53.702 ( 2.268 -0.022 0.846) 2.420 53.740 ( 6.122 -1.213 -0.702) 6.281 53.929 ( -0.549 -0.572 0.540) 0.959 53.984 ( 0.141 -1.817 -0.998) 2.078 54.564 ( 3.437 2.354 1.581) 4.456 54.692 ( 4.197 -0.747 -2.310) 4.849 55.095 ( -2.493 -0.839 3.327) 4.241 55.278 ( -3.160 -5.547 -1.672) 6.599 ======================= Grid point 149 (55/80) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -1.445 5.677 8.186) 10.066 1.355 ( -2.163 13.402 7.106) 15.323 1.632 ( 4.901 6.844 13.823) 16.185 1.733 ( 3.978 4.800 -3.711) 7.255 1.848 ( -1.935 2.650 -0.332) 3.298 1.918 ( -3.513 1.368 7.393) 8.299 1.975 ( 6.164 1.212 5.697) 8.481 2.075 ( -0.816 0.877 6.220) 6.334 2.219 ( 5.006 -0.673 -0.446) 5.071 2.262 ( 5.370 -6.310 4.473) 9.416 2.442 ( 0.302 -1.943 1.012) 2.212 2.509 ( 1.667 -1.343 6.334) 6.686 2.820 ( 2.268 -3.103 0.376) 3.862 2.931 ( 1.950 -0.884 -4.938) 5.382 2.949 ( -1.882 -4.573 -2.007) 5.337 3.037 ( -1.825 -1.586 -5.369) 5.888 3.282 ( -3.029 2.204 -0.259) 3.755 3.374 ( -1.502 1.916 -0.092) 2.436 3.514 ( 7.287 -3.483 -3.813) 8.931 3.581 ( -1.600 -0.796 -0.733) 1.931 3.658 ( -1.055 -1.807 -0.112) 2.095 3.739 ( 2.604 -0.959 -2.828) 3.962 3.885 ( -7.428 0.302 2.270) 7.773 3.956 ( -5.370 -2.961 -1.599) 6.337 8.798 ( 20.007 -2.427 -6.445) 21.159 8.839 ( 20.047 -3.788 -6.622) 21.450 9.425 ( -4.642 1.379 2.850) 5.619 9.467 ( -6.680 0.608 1.883) 6.966 9.681 ( 0.959 9.625 -3.223) 10.195 9.717 ( 1.717 10.238 -1.956) 10.564 10.125 ( -9.612 4.882 -2.045) 10.973 10.158 ( -9.503 5.085 0.518) 10.790 10.467 ( -0.280 4.857 -0.246) 4.872 10.550 ( -4.078 1.129 0.567) 4.269 10.790 ( 0.492 -4.899 3.325) 5.941 10.835 ( -1.512 -7.685 3.655) 8.643 20.402 ( 0.717 7.358 -5.371) 9.138 20.430 ( -0.180 7.340 -7.638) 10.595 20.776 ( -1.560 -3.793 -3.793) 5.587 20.824 ( -3.585 -4.349 -5.080) 7.588 21.606 ( 4.978 6.498 4.202) 9.201 21.735 ( 4.708 2.159 5.467) 7.531 21.957 ( -10.676 8.022 5.627) 14.491 22.071 ( -8.675 3.749 5.351) 10.860 23.076 ( 12.877 -0.993 0.443) 12.923 23.223 ( 16.517 -8.543 -3.515) 18.925 23.561 ( -10.395 -0.892 2.045) 10.632 23.755 ( -10.105 -7.998 -2.234) 13.079 24.254 ( -0.054 -0.089 -0.218) 0.242 24.282 ( -1.551 -0.060 -0.097) 1.555 24.346 ( 0.563 -2.148 -2.123) 3.072 24.372 ( -0.978 -2.692 -2.165) 3.590 24.646 ( 2.714 0.538 1.284) 3.051 24.694 ( 0.621 0.817 1.216) 1.591 24.715 ( 3.376 -0.779 -0.759) 3.547 24.775 ( 0.336 -0.430 -1.195) 1.313 52.018 ( 0.864 4.625 -3.062) 5.614 52.073 ( -1.449 5.693 -5.637) 8.142 52.241 ( 0.075 0.572 -2.341) 2.411 52.317 ( -2.919 1.777 -4.591) 5.723 52.579 ( 4.883 3.097 5.495) 7.977 52.743 ( 1.799 0.427 0.063) 1.850 52.965 ( -6.119 0.924 5.553) 8.315 53.056 ( -5.169 -1.992 2.656) 6.143 53.756 ( 3.109 0.494 0.706) 3.226 53.823 ( 1.729 0.022 -1.521) 2.303 53.927 ( 0.875 -2.642 0.397) 2.811 53.980 ( -0.618 -2.343 -1.120) 2.670 54.654 ( 5.747 2.604 1.351) 6.453 54.776 ( 3.228 0.863 -2.737) 4.319 55.046 ( -1.466 -4.125 2.997) 5.306 55.194 ( -5.489 -6.358 -1.513) 8.535 ======================= Grid point 150 (56/80) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -0.590 11.344 7.739) 13.745 1.330 ( 0.590 11.344 7.739) 13.745 1.754 ( -6.324 4.304 10.116) 12.683 1.754 ( 6.324 4.304 10.116) 12.683 1.828 ( -4.742 5.936 -0.891) 7.650 1.828 ( 4.742 5.936 -0.891) 7.650 2.054 ( -2.012 -0.677 6.032) 6.395 2.054 ( 2.012 -0.677 6.032) 6.395 2.305 ( -2.329 -2.232 3.487) 4.750 2.305 ( 2.329 -2.232 3.487) 4.750 2.475 ( -3.459 -7.410 2.454) 8.538 2.475 ( 3.459 -7.410 2.454) 8.538 2.883 ( -3.553 0.636 -4.229) 5.560 2.883 ( 3.553 0.636 -4.229) 5.560 2.999 ( -2.365 -2.723 -4.031) 5.409 2.999 ( 2.365 -2.723 -4.031) 5.409 3.290 ( -4.344 1.653 1.888) 5.017 3.290 ( 4.344 1.653 1.888) 5.017 3.579 ( -1.510 -0.392 -4.086) 4.374 3.579 ( 1.510 -0.392 -4.086) 4.374 3.723 ( -7.421 -0.027 2.322) 7.776 3.723 ( 7.421 -0.027 2.322) 7.776 3.843 ( -5.786 -4.301 -2.400) 7.598 3.843 ( 5.786 -4.301 -2.400) 7.598 9.131 ( -4.713 -0.064 -4.367) 6.426 9.131 ( 4.713 -0.064 -4.367) 6.426 9.276 ( -4.061 -3.741 -2.600) 6.102 9.276 ( 4.061 -3.741 -2.600) 6.102 9.740 ( -2.274 10.667 -1.466) 11.004 9.740 ( 2.274 10.667 -1.466) 11.004 10.018 ( -1.945 5.659 1.814) 6.253 10.018 ( 1.945 5.659 1.814) 6.253 10.490 ( -2.286 3.662 -0.682) 4.370 10.490 ( 2.286 3.662 -0.682) 4.370 10.808 ( -1.250 -6.442 3.919) 7.643 10.808 ( 1.250 -6.442 3.919) 7.643 20.418 ( -0.899 7.649 -6.701) 10.209 20.418 ( 0.899 7.649 -6.701) 10.209 20.773 ( -1.393 -4.410 -3.969) 6.094 20.773 ( 1.393 -4.410 -3.969) 6.094 21.726 ( -6.935 8.509 8.203) 13.703 21.726 ( 6.935 8.509 8.203) 13.703 21.911 ( -6.926 2.044 2.297) 7.578 21.911 ( 6.926 2.044 2.297) 7.578 23.324 ( -12.452 -0.950 1.261) 12.552 23.324 ( 12.452 -0.950 1.260) 12.552 23.526 ( -13.470 -8.667 -2.939) 16.285 23.526 ( 13.470 -8.667 -2.939) 16.285 24.260 ( -0.725 0.035 -0.284) 0.779 24.260 ( 0.725 0.035 -0.284) 0.779 24.357 ( -0.652 -2.462 -2.345) 3.462 24.357 ( 0.652 -2.462 -2.345) 3.462 24.684 ( -1.264 1.098 1.451) 2.215 24.684 ( 1.264 1.098 1.451) 2.215 24.766 ( -1.515 -0.936 -1.271) 2.188 24.766 ( 1.515 -0.936 -1.271) 2.188 52.042 ( -1.569 5.253 -4.289) 6.961 52.042 ( 1.569 5.253 -4.289) 6.961 52.265 ( -2.247 0.489 -3.862) 4.495 52.265 ( 2.247 0.489 -3.862) 4.495 52.689 ( -6.011 4.301 5.240) 9.060 52.689 ( 6.011 4.301 5.240) 9.060 52.960 ( -4.154 -1.970 2.321) 5.150 52.960 ( 4.154 -1.970 2.321) 5.150 53.810 ( -2.272 0.930 0.089) 2.457 53.810 ( 2.272 0.930 0.089) 2.457 53.958 ( -1.704 -3.135 -0.945) 3.691 53.958 ( 1.704 -3.135 -0.945) 3.691 54.761 ( -4.506 3.079 -0.030) 5.457 54.761 ( 4.506 3.079 -0.030) 5.457 55.085 ( -5.110 -7.093 -0.122) 8.743 55.085 ( 5.110 -7.093 -0.122) 8.743 ======================= Grid point 154 (57/80) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.000 2.031 9.243) 9.463 1.437 ( 0.000 -5.835 6.262) 8.559 1.537 ( 0.000 2.635 3.997) 4.788 1.616 ( 0.000 -3.358 1.580) 3.711 1.892 ( 0.000 -0.918 3.154) 3.285 1.908 ( 0.000 -0.942 0.417) 1.030 1.997 ( 0.000 7.749 0.715) 7.782 2.037 ( 0.000 1.333 1.204) 1.797 2.255 ( 0.000 7.946 4.972) 9.374 2.276 ( 0.000 10.740 5.411) 12.026 2.419 ( 0.000 -7.483 6.656) 10.015 2.488 ( 0.000 -0.462 9.541) 9.552 2.664 ( 0.000 -7.028 1.458) 7.177 2.689 ( 0.000 -1.379 2.734) 3.062 3.044 ( 0.000 -1.272 -8.152) 8.251 3.051 ( 0.000 -1.561 -8.699) 8.838 3.283 ( 0.000 4.339 -4.926) 6.564 3.362 ( 0.000 -1.299 3.456) 3.692 3.421 ( 0.000 -3.603 -4.808) 6.009 3.431 ( 0.000 -1.574 2.214) 2.717 3.751 ( 0.000 -0.589 -2.933) 2.992 3.751 ( 0.000 -0.153 -3.253) 3.257 4.072 ( 0.000 1.327 3.393) 3.643 4.087 ( 0.000 0.188 4.176) 4.180 8.291 ( 0.000 -0.988 -9.493) 9.544 8.301 ( 0.000 -1.960 -9.416) 9.618 9.484 ( 0.000 2.261 6.354) 6.744 9.505 ( 0.000 0.317 5.838) 5.847 9.893 ( 0.000 5.081 -7.557) 9.106 9.917 ( 0.000 3.558 -6.548) 7.453 10.429 ( 0.000 5.948 0.312) 5.957 10.439 ( 0.000 8.226 -0.918) 8.278 10.558 ( 0.000 -5.898 3.757) 6.992 10.635 ( 0.000 -4.867 0.962) 4.962 10.685 ( 0.000 -1.757 3.443) 3.866 10.749 ( 0.000 -3.325 0.983) 3.467 20.506 ( 0.000 3.751 -5.011) 6.259 20.523 ( 0.000 2.505 -6.969) 7.405 20.801 ( 0.000 -0.398 -7.146) 7.158 20.839 ( 0.000 -3.699 -8.524) 9.292 21.602 ( 0.000 2.862 2.778) 3.989 21.642 ( 0.000 -1.045 3.039) 3.213 22.356 ( 0.000 3.854 7.145) 8.118 22.418 ( 0.000 -2.310 5.103) 5.601 22.671 ( 0.000 4.438 1.608) 4.720 22.756 ( 0.000 -3.389 -0.664) 3.453 23.776 ( 0.000 1.098 1.156) 1.595 23.832 ( 0.000 -4.375 0.175) 4.379 24.273 ( 0.000 0.956 -1.244) 1.569 24.299 ( 0.000 -1.379 -1.652) 2.152 24.350 ( 0.000 0.398 0.144) 0.423 24.369 ( 0.000 -1.506 -0.144) 1.513 24.538 ( 0.000 -0.196 0.037) 0.200 24.542 ( 0.000 -0.611 -0.132) 0.625 24.720 ( 0.000 1.291 0.782) 1.509 24.744 ( 0.000 -0.951 0.040) 0.952 52.090 ( 0.000 3.744 -2.570) 4.541 52.139 ( 0.000 -0.393 -4.014) 4.033 52.389 ( 0.000 4.815 -4.906) 6.874 52.435 ( 0.000 2.489 -1.983) 3.182 52.520 ( 0.000 -1.455 2.392) 2.800 52.528 ( 0.000 -3.683 -1.968) 4.175 53.153 ( 0.000 0.353 3.504) 3.521 53.186 ( 0.000 -2.736 2.566) 3.751 53.665 ( 0.000 0.457 1.587) 1.651 53.674 ( 0.000 -0.361 1.412) 1.457 53.939 ( 0.000 0.375 -0.617) 0.722 53.953 ( 0.000 -1.019 -1.000) 1.428 54.581 ( 0.000 2.436 0.876) 2.589 54.625 ( 0.000 -1.700 -0.259) 1.719 55.142 ( 0.000 2.166 1.064) 2.414 55.209 ( 0.000 -4.213 -0.595) 4.255 ======================= Grid point 155 (58/80) ======================= q-point: ( 0.17 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 3.910 3.825 7.959) 9.657 1.498 ( 5.558 -1.871 8.366) 10.217 1.585 ( 5.614 1.956 3.300) 6.799 1.682 ( 5.670 -4.278 3.468) 7.904 1.896 ( 0.667 0.336 3.373) 3.454 1.945 ( 2.982 -2.234 1.382) 3.974 1.985 ( -1.835 10.234 2.447) 10.681 2.062 ( 2.453 2.268 -0.002) 3.341 2.202 ( -4.513 6.071 5.729) 9.489 2.246 ( -0.716 6.061 5.205) 8.021 2.397 ( -2.800 -7.382 3.987) 8.845 2.427 ( -5.881 -10.101 7.971) 14.147 2.713 ( 7.777 4.425 3.880) 9.753 2.797 ( 5.610 -2.611 -0.992) 6.267 3.012 ( -2.358 0.797 -7.907) 8.290 3.048 ( -1.642 -2.016 -7.617) 8.049 3.299 ( 2.890 -0.797 -1.763) 3.478 3.324 ( -3.143 -2.998 -0.132) 4.346 3.425 ( 2.625 3.160 -0.262) 4.117 3.506 ( 4.267 -3.704 -1.268) 5.791 3.712 ( -3.587 0.706 -2.635) 4.506 3.732 ( -1.836 -0.677 -3.358) 3.886 4.029 ( -4.513 0.685 2.840) 5.376 4.036 ( -5.117 0.190 3.873) 6.420 8.426 ( 13.625 -0.819 -8.865) 16.276 8.438 ( 13.739 -1.928 -8.862) 16.462 9.497 ( 0.611 2.065 5.840) 6.224 9.519 ( 0.671 -0.002 5.340) 5.382 9.864 ( -2.471 5.154 -7.405) 9.355 9.890 ( -2.380 3.383 -6.469) 7.679 10.386 ( -5.266 5.894 -0.476) 7.918 10.397 ( -5.390 5.347 -0.534) 7.611 10.539 ( -0.920 -2.373 3.467) 4.300 10.605 ( -2.291 -2.614 1.287) 3.707 10.681 ( -0.412 -3.593 3.631) 5.125 10.729 ( -1.756 -3.753 1.837) 4.532 20.512 ( 0.624 4.047 -5.288) 6.688 20.531 ( 0.853 2.633 -6.933) 7.465 20.771 ( -2.996 -0.808 -6.909) 7.574 20.806 ( -3.256 -3.748 -8.101) 9.501 21.625 ( 2.649 3.014 3.085) 5.062 21.665 ( 2.659 -0.875 3.481) 4.467 22.280 ( -7.769 3.572 6.926) 11.004 22.311 ( -8.705 1.208 6.059) 10.674 22.813 ( 12.061 0.178 0.405) 12.069 22.849 ( 9.431 -2.654 -0.645) 9.818 23.719 ( -5.829 1.212 1.152) 6.064 23.778 ( -5.654 -4.523 0.091) 7.241 24.271 ( -0.176 1.179 -1.255) 1.730 24.300 ( 0.157 -1.515 -1.752) 2.321 24.324 ( -1.925 0.614 -0.454) 2.070 24.349 ( -1.556 -1.761 -0.980) 2.545 24.585 ( 3.959 0.158 0.517) 3.996 24.595 ( 4.524 -0.860 0.216) 4.610 24.724 ( 0.284 1.325 0.799) 1.573 24.749 ( 0.430 -1.071 0.008) 1.155 52.095 ( 0.570 3.889 -2.876) 4.871 52.146 ( 0.736 -0.276 -4.356) 4.426 52.321 ( -4.646 3.625 -3.766) 6.993 52.390 ( -4.608 -1.898 -5.130) 7.152 52.552 ( 5.076 3.301 3.275) 6.884 52.621 ( 5.739 -2.887 0.105) 6.425 53.112 ( -4.110 -0.472 3.716) 5.561 53.118 ( -6.286 -0.933 3.667) 7.337 53.705 ( 3.077 0.346 0.944) 3.237 53.718 ( 4.563 -0.863 0.533) 4.674 53.929 ( -0.966 0.566 -0.466) 1.212 53.950 ( -0.411 -1.390 -0.989) 1.754 54.616 ( 3.690 2.611 0.868) 4.603 54.665 ( 4.089 -1.906 -0.435) 4.533 55.106 ( -3.657 1.974 1.095) 4.298 55.173 ( -3.660 -4.363 -0.635) 5.730 ======================= Grid point 156 (59/80) ======================= q-point: ( 0.33 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 5.569 9.841 6.610) 13.098 1.611 ( 4.871 6.720 9.669) 12.743 1.718 ( 6.002 -1.206 1.953) 6.426 1.785 ( 4.474 -4.621 6.373) 9.055 1.894 ( -0.882 6.634 8.466) 10.792 1.937 ( -1.126 8.010 5.100) 9.562 2.014 ( 3.307 -6.727 6.523) 9.937 2.108 ( -0.176 1.091 1.279) 1.690 2.138 ( 0.291 6.670 0.295) 6.683 2.254 ( -2.978 -2.626 6.228) 7.386 2.282 ( -2.452 -10.655 1.023) 10.981 2.375 ( -1.653 -7.915 2.646) 8.508 2.847 ( 4.223 2.622 -1.616) 5.227 2.876 ( 3.327 -0.850 -1.761) 3.859 2.961 ( -2.817 1.246 -6.233) 6.952 2.994 ( -3.271 -2.217 -6.145) 7.306 3.299 ( 1.736 2.507 1.135) 3.254 3.406 ( 7.207 -6.360 -0.722) 9.639 3.462 ( -0.393 5.461 -1.794) 5.761 3.575 ( 1.904 -4.815 -1.287) 5.335 3.646 ( -1.452 3.815 -1.869) 4.489 3.709 ( 0.748 -1.922 -2.414) 3.175 3.899 ( -8.529 0.758 2.970) 9.063 3.918 ( -7.031 -1.189 1.522) 7.291 8.769 ( 21.013 -0.413 -7.286) 22.244 8.782 ( 21.069 -1.699 -7.321) 22.369 9.443 ( -8.317 0.765 1.111) 8.426 9.460 ( -8.778 -0.818 0.745) 8.847 9.854 ( 3.016 5.921 -3.913) 7.711 9.879 ( 2.803 3.979 -3.365) 5.917 10.220 ( -10.964 3.425 -0.536) 11.499 10.236 ( -10.556 1.902 0.254) 10.730 10.543 ( 1.026 2.475 2.776) 3.859 10.577 ( -0.677 2.141 1.866) 2.920 10.672 ( -0.439 -5.798 3.680) 6.882 10.695 ( -1.646 -4.795 2.836) 5.809 20.532 ( 1.472 4.896 -5.914) 7.817 20.553 ( 1.244 3.832 -7.158) 8.214 20.704 ( -3.374 -2.446 -6.141) 7.422 20.732 ( -4.030 -4.192 -7.114) 9.188 21.713 ( 6.649 3.672 4.047) 8.606 21.754 ( 6.822 -0.401 4.429) 8.143 22.088 ( -11.323 4.303 6.212) 13.613 22.125 ( -10.650 0.760 6.013) 12.254 23.061 ( 13.769 0.002 0.057) 13.769 23.096 ( 15.091 -3.718 -0.806) 15.563 23.561 ( -10.601 1.205 0.987) 10.715 23.621 ( -10.691 -4.756 -0.239) 11.704 24.270 ( 0.111 1.407 -1.365) 1.964 24.293 ( -1.214 1.078 -1.138) 1.983 24.305 ( 0.258 -1.871 -1.863) 2.653 24.324 ( -0.932 -1.947 -1.736) 2.770 24.659 ( 3.476 0.825 0.915) 3.688 24.681 ( 3.952 -1.217 0.256) 4.143 24.726 ( -0.157 1.283 0.827) 1.535 24.755 ( -0.094 -1.330 -0.034) 1.333 52.114 ( 1.436 4.316 -3.656) 5.836 52.165 ( 0.938 1.284 -5.330) 5.562 52.241 ( -3.238 1.251 -3.670) 5.051 52.303 ( -4.232 -2.755 -5.340) 7.350 52.666 ( 6.676 4.580 4.286) 9.161 52.735 ( 6.186 -1.689 1.804) 6.661 52.978 ( -7.821 0.849 4.881) 9.258 53.010 ( -6.269 -2.165 3.747) 7.618 53.775 ( 3.898 1.366 0.303) 4.141 53.808 ( 4.385 -1.540 -0.722) 4.704 53.902 ( -1.839 0.467 -0.151) 1.904 53.933 ( -1.502 -2.123 -0.960) 2.772 54.716 ( 6.474 3.168 0.786) 7.250 54.771 ( 6.689 -1.727 -0.853) 6.961 55.010 ( -6.132 0.967 1.196) 6.322 55.075 ( -6.437 -4.839 -0.660) 8.080 ======================= Grid point 157 (60/80) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -4.779 13.884 6.243) 15.955 1.606 ( 4.779 13.884 6.243) 15.955 1.802 ( -3.390 -2.734 6.000) 7.414 1.802 ( 3.390 -2.734 6.000) 7.414 1.912 ( -1.679 4.400 10.283) 11.310 1.912 ( 1.679 4.400 10.283) 11.310 2.094 ( -3.447 -9.667 5.913) 11.844 2.094 ( 3.447 -9.667 5.913) 11.844 2.145 ( -2.133 5.446 1.745) 6.103 2.145 ( 2.133 5.446 1.745) 6.103 2.332 ( -3.337 -8.190 -1.606) 8.989 2.332 ( 3.337 -8.190 -1.606) 8.989 2.894 ( -1.881 1.336 -4.101) 4.705 2.894 ( 1.881 1.336 -4.101) 4.705 2.943 ( -1.928 -2.803 -4.268) 5.458 2.943 ( 1.928 -2.803 -4.268) 5.458 3.386 ( -6.036 6.899 0.229) 9.170 3.386 ( 6.036 6.899 0.229) 9.170 3.529 ( -5.096 -5.721 -2.455) 8.045 3.529 ( 5.096 -5.721 -2.455) 8.045 3.730 ( -7.896 2.264 1.348) 8.324 3.730 ( 7.896 2.264 1.348) 8.324 3.786 ( -6.013 -2.464 -0.316) 6.506 3.786 ( 6.013 -2.464 -0.316) 6.506 9.148 ( -4.890 1.747 -4.906) 7.143 9.148 ( 4.890 1.747 -4.906) 7.143 9.201 ( -4.881 -3.267 -4.258) 7.254 9.201 ( 4.881 -3.267 -4.258) 7.254 9.952 ( -2.125 8.839 -0.635) 9.113 9.952 ( 2.125 8.839 -0.635) 9.113 10.067 ( -1.920 -1.588 -0.007) 2.491 10.067 ( 1.920 -1.588 -0.007) 2.491 10.564 ( -0.967 4.123 2.359) 4.848 10.564 ( 0.967 4.123 2.359) 4.848 10.672 ( -0.639 -6.231 3.361) 7.108 10.672 ( 0.639 -6.231 3.361) 7.108 20.560 ( -0.938 6.147 -6.997) 9.361 20.560 ( 0.938 6.147 -6.997) 9.361 20.676 ( -1.119 -5.105 -5.936) 7.908 20.676 ( 1.119 -5.105 -5.936) 7.908 21.869 ( -7.573 5.039 6.170) 10.992 21.869 ( 7.573 5.039 6.170) 10.992 21.928 ( -7.534 -0.789 4.299) 8.710 21.928 ( 7.534 -0.789 4.299) 8.710 23.323 ( -11.863 1.171 0.362) 11.926 23.323 ( 11.863 1.171 0.362) 11.926 23.384 ( -12.510 -4.919 -0.492) 13.452 23.384 ( 12.510 -4.919 -0.492) 13.452 24.276 ( -0.571 1.365 -1.381) 2.023 24.276 ( 0.571 1.365 -1.381) 2.023 24.312 ( -0.477 -1.991 -1.945) 2.824 24.312 ( 0.477 -1.991 -1.945) 2.824 24.708 ( -1.589 1.305 0.984) 2.280 24.708 ( 1.589 1.305 0.984) 2.280 24.738 ( -1.740 -1.517 0.004) 2.309 24.738 ( 1.740 -1.517 0.004) 2.309 52.150 ( -2.186 4.990 -4.763) 7.236 52.150 ( 2.186 4.990 -4.763) 7.236 52.236 ( -2.486 -3.083 -4.634) 6.096 52.236 ( 2.486 -3.084 -4.634) 6.096 52.793 ( -4.934 5.380 4.496) 8.574 52.793 ( 4.934 5.380 4.496) 8.574 52.895 ( -4.013 -4.236 3.634) 6.874 52.895 ( 4.013 -4.236 3.634) 6.874 53.841 ( -2.441 2.045 -0.329) 3.201 53.841 ( 2.441 2.045 -0.329) 3.201 53.893 ( -2.294 -2.972 -0.669) 3.813 53.893 ( 2.294 -2.972 -0.669) 3.813 54.840 ( -4.630 4.590 0.030) 6.520 54.840 ( 4.630 4.590 0.030) 6.520 54.949 ( -4.882 -5.989 0.092) 7.727 54.949 ( 4.882 -5.989 0.092) 7.727 ======================= Grid point 189 (61/80) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.000 0.000 13.301) 13.301 1.034 ( 0.000 0.000 13.139) 13.139 1.142 ( 0.000 0.000 -12.191) 12.191 1.260 ( 0.000 0.000 -8.995) 8.995 2.006 ( 0.000 0.000 20.251) 20.251 2.130 ( 0.000 0.000 3.480) 3.480 2.189 ( 0.000 0.000 -2.374) 2.374 2.203 ( 0.000 0.000 1.190) 1.190 2.326 ( 0.000 0.000 2.262) 2.262 2.327 ( 0.000 0.000 3.417) 3.417 2.603 ( 0.000 0.000 2.725) 2.725 2.737 ( 0.000 0.000 0.012) 0.012 2.737 ( 0.000 0.000 -6.974) 6.974 2.751 ( 0.000 0.000 -1.216) 1.216 2.913 ( 0.000 0.000 8.323) 8.323 3.101 ( 0.000 0.000 -6.619) 6.619 3.342 ( 0.000 0.000 6.030) 6.030 3.444 ( 0.000 0.000 -1.535) 1.535 3.451 ( 0.000 0.000 -4.737) 4.737 3.454 ( 0.000 0.000 -1.707) 1.707 3.598 ( 0.000 0.000 -2.065) 2.065 3.679 ( 0.000 0.000 -7.789) 7.789 4.067 ( 0.000 0.000 5.046) 5.046 4.156 ( 0.000 0.000 -3.772) 3.772 8.601 ( 0.000 0.000 -1.145) 1.145 8.614 ( 0.000 0.000 -2.391) 2.391 9.108 ( 0.000 0.000 2.989) 2.989 9.173 ( 0.000 0.000 -2.489) 2.489 9.229 ( 0.000 0.000 8.356) 8.356 9.426 ( 0.000 0.000 -8.314) 8.314 10.055 ( 0.000 0.000 6.604) 6.604 10.234 ( 0.000 0.000 -8.938) 8.938 10.448 ( 0.000 0.000 1.936) 1.936 10.499 ( 0.000 0.000 -2.965) 2.965 11.021 ( 0.000 0.000 6.291) 6.291 11.123 ( 0.000 0.000 -3.224) 3.224 20.010 ( 0.000 0.000 2.746) 2.746 20.050 ( 0.000 0.000 -1.084) 1.084 20.942 ( 0.000 0.000 1.038) 1.038 20.980 ( 0.000 0.000 -2.634) 2.634 21.373 ( 0.000 0.000 4.666) 4.666 21.474 ( 0.000 0.000 -5.217) 5.217 22.286 ( 0.000 0.000 8.414) 8.414 22.450 ( 0.000 0.000 -7.245) 7.245 22.582 ( 0.000 0.000 4.099) 4.099 22.664 ( 0.000 0.000 -4.096) 4.096 23.983 ( 0.000 0.000 5.251) 5.251 24.102 ( 0.000 0.000 -6.336) 6.336 24.487 ( 0.000 0.000 0.839) 0.839 24.491 ( 0.000 0.000 1.020) 1.020 24.505 ( 0.000 0.000 0.290) 0.290 24.514 ( 0.000 0.000 -0.554) 0.554 24.567 ( 0.000 0.000 0.533) 0.533 24.603 ( 0.000 0.000 -2.441) 2.441 24.614 ( 0.000 0.000 0.166) 0.166 24.615 ( 0.000 0.000 0.059) 0.059 51.867 ( 0.000 0.000 1.753) 1.753 51.878 ( 0.000 0.000 0.773) 0.773 52.103 ( 0.000 0.000 -0.781) 0.781 52.109 ( 0.000 0.000 -1.390) 1.390 52.617 ( 0.000 0.000 0.033) 0.033 52.621 ( 0.000 0.000 -0.359) 0.359 53.282 ( 0.000 0.000 0.833) 0.833 53.297 ( 0.000 0.000 -0.667) 0.667 53.668 ( 0.000 0.000 1.000) 1.000 53.684 ( 0.000 0.000 -0.529) 0.529 53.985 ( 0.000 0.000 2.513) 2.513 54.039 ( 0.000 0.000 -2.735) 2.735 54.511 ( 0.000 0.000 2.902) 2.902 54.577 ( 0.000 0.000 -3.602) 3.602 55.300 ( 0.000 0.000 6.738) 6.738 55.435 ( 0.000 0.000 -6.487) 6.487 ======================= Grid point 190 (62/80) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 7.886 0.000 11.489) 13.935 1.145 ( 10.813 0.000 11.643) 15.890 1.192 ( 4.986 0.000 -11.020) 12.095 1.345 ( 8.550 0.000 -7.722) 11.521 2.031 ( 2.677 0.000 18.544) 18.736 2.039 ( -8.529 0.000 2.860) 8.995 2.091 ( -8.794 0.000 -2.263) 9.080 2.170 ( -6.896 0.000 5.164) 8.615 2.236 ( -3.051 0.000 2.405) 3.885 2.303 ( -4.805 0.000 -3.648) 6.033 2.588 ( -1.210 0.000 4.860) 5.009 2.690 ( -5.038 0.000 -1.122) 5.162 2.808 ( 6.725 0.000 1.425) 6.875 2.846 ( 8.275 0.000 -2.098) 8.537 2.944 ( 3.498 0.000 4.386) 5.610 3.123 ( 1.656 0.000 -8.463) 8.624 3.315 ( -2.737 0.000 5.835) 6.445 3.404 ( -1.636 0.000 -0.632) 1.754 3.422 ( -3.057 0.000 -4.629) 5.548 3.454 ( -1.476 0.000 -4.412) 4.653 3.653 ( 5.593 0.000 2.217) 6.016 3.771 ( 7.380 0.000 -8.356) 11.148 4.036 ( -2.870 0.000 5.820) 6.489 4.143 ( -1.357 0.000 -4.752) 4.942 8.735 ( 13.843 0.000 -0.493) 13.852 8.759 ( 14.560 0.000 -2.721) 14.812 9.117 ( 0.934 0.000 3.069) 3.208 9.177 ( 0.204 0.000 -1.023) 1.043 9.245 ( 1.712 0.000 6.486) 6.708 9.420 ( -0.685 0.000 -7.305) 7.337 10.056 ( 0.199 0.000 5.275) 5.279 10.213 ( -2.070 0.000 -8.254) 8.510 10.333 ( -11.896 0.000 1.956) 12.056 10.384 ( -11.871 0.000 -2.991) 12.242 11.028 ( 0.694 0.000 5.640) 5.682 11.116 ( -0.686 0.000 -2.614) 2.703 20.013 ( 0.301 0.000 2.506) 2.524 20.048 ( -0.242 0.000 -0.816) 0.851 20.943 ( 0.062 0.000 0.782) 0.784 20.975 ( -0.455 0.000 -2.399) 2.442 21.385 ( 1.336 0.000 5.628) 5.784 21.499 ( 2.628 0.000 -5.626) 6.209 22.058 ( -19.871 0.000 7.347) 21.186 22.125 ( -13.359 0.000 0.410) 13.365 22.868 ( 16.010 0.000 2.752) 16.245 22.987 ( 23.031 0.000 -9.218) 24.807 23.920 ( -6.387 0.000 5.893) 8.690 24.055 ( -4.948 0.000 -7.139) 8.686 24.486 ( 0.261 0.000 0.950) 0.985 24.505 ( 0.796 0.000 -0.485) 0.932 24.508 ( 0.252 0.000 0.275) 0.373 24.516 ( 0.214 0.000 -0.555) 0.595 24.562 ( -0.294 0.000 1.221) 1.256 24.601 ( -0.269 0.000 -2.169) 2.186 24.612 ( -0.138 0.000 0.200) 0.243 24.614 ( -0.092 0.000 0.031) 0.097 51.868 ( 0.069 0.000 1.690) 1.692 51.877 ( -0.072 0.000 0.842) 0.845 52.104 ( 0.041 0.000 -0.826) 0.827 52.109 ( -0.044 0.000 -1.352) 1.353 52.604 ( 0.109 0.000 2.669) 2.671 52.660 ( 2.687 0.000 -2.744) 3.840 53.142 ( -12.163 0.000 4.298) 12.900 53.197 ( -7.619 0.000 -1.530) 7.771 53.721 ( 3.425 0.000 0.911) 3.544 53.747 ( 4.733 0.000 -1.717) 5.035 54.002 ( 1.469 0.000 1.503) 2.102 54.040 ( 0.010 0.000 -2.110) 2.110 54.546 ( 3.393 0.000 2.935) 4.487 54.615 ( 3.430 0.000 -4.043) 5.302 55.311 ( 1.057 0.000 5.397) 5.499 55.426 ( -0.943 0.000 -5.800) 5.877 ======================= Grid point 191 (63/80) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 11.103 0.000 7.488) 13.392 1.306 ( 5.823 0.000 -7.478) 9.478 1.400 ( 14.973 0.000 9.361) 17.658 1.558 ( 13.006 0.000 -5.677) 14.191 1.855 ( -9.407 0.000 2.263) 9.676 1.907 ( -9.704 0.000 -2.773) 10.092 1.968 ( -12.466 0.000 8.770) 15.242 2.078 ( -6.390 0.000 6.865) 9.379 2.130 ( 0.197 0.000 2.748) 2.755 2.266 ( -0.168 0.000 -2.399) 2.405 2.554 ( -2.384 0.000 5.382) 5.886 2.577 ( -5.556 0.000 5.796) 8.029 2.956 ( 8.128 0.000 3.109) 8.703 3.018 ( 9.023 0.000 -2.827) 9.456 3.028 ( 4.733 0.000 0.046) 4.733 3.140 ( -0.263 0.000 -7.925) 7.929 3.241 ( -4.863 0.000 5.078) 7.031 3.337 ( -5.784 0.000 -4.277) 7.193 3.390 ( 0.022 0.000 -1.054) 1.054 3.423 ( -1.513 0.000 -3.446) 3.763 3.766 ( 5.615 0.000 4.236) 7.034 3.890 ( 2.882 0.000 -6.258) 6.889 3.990 ( -0.097 0.000 4.064) 4.065 4.105 ( -2.524 0.000 -6.014) 6.522 9.097 ( 23.058 0.000 0.484) 23.063 9.132 ( 23.598 0.000 -2.901) 23.776 9.140 ( 1.301 0.000 3.107) 3.369 9.176 ( -0.366 0.000 1.450) 1.495 9.292 ( 3.045 0.000 2.735) 4.093 9.397 ( -1.797 0.000 -4.507) 4.851 10.014 ( -20.977 0.000 1.820) 21.056 10.064 ( -21.146 0.000 -3.003) 21.358 10.068 ( 1.222 0.000 1.704) 2.097 10.162 ( -3.105 0.000 -6.165) 6.903 11.046 ( 1.211 0.000 3.863) 4.048 11.097 ( -1.211 0.000 -0.919) 1.520 20.021 ( 0.506 0.000 1.835) 1.903 20.041 ( -0.446 0.000 -0.089) 0.455 20.945 ( 0.253 0.000 0.088) 0.268 20.964 ( -0.646 0.000 -1.750) 1.865 21.430 ( 3.690 0.000 8.022) 8.830 21.574 ( 5.161 0.000 -6.232) 8.092 21.737 ( -13.361 0.000 11.427) 17.581 21.891 ( -11.122 0.000 -4.292) 11.921 23.186 ( 16.750 0.000 6.679) 18.032 23.381 ( 18.048 0.000 -12.505) 21.957 23.751 ( -11.025 0.000 6.827) 12.968 23.916 ( -9.490 0.000 -9.145) 13.179 24.496 ( 0.748 0.000 0.217) 0.778 24.514 ( 0.202 0.000 -0.911) 0.933 24.514 ( 0.267 0.000 -0.471) 0.541 24.520 ( 0.130 0.000 -0.446) 0.465 24.563 ( 0.386 0.000 1.451) 1.502 24.591 ( -0.783 0.000 -1.324) 1.538 24.610 ( -0.106 0.000 0.208) 0.233 24.612 ( -0.146 0.000 0.022) 0.148 51.870 ( 0.121 0.000 1.517) 1.522 51.875 ( -0.124 0.000 1.028) 1.035 52.105 ( 0.072 0.000 -0.944) 0.946 52.108 ( -0.075 0.000 -1.247) 1.250 52.627 ( 2.338 0.000 4.877) 5.408 52.712 ( 2.107 0.000 -3.116) 3.762 52.936 ( -7.738 0.000 6.095) 9.851 53.039 ( -8.196 0.000 -3.876) 9.066 53.783 ( 2.765 0.000 1.372) 3.087 53.810 ( 1.811 0.000 -1.172) 2.157 54.026 ( 0.781 0.000 -0.158) 0.797 54.038 ( -0.178 0.000 -1.305) 1.317 54.622 ( 4.065 0.000 2.215) 4.629 54.675 ( 2.091 0.000 -3.044) 3.693 55.335 ( 1.473 0.000 2.121) 2.583 55.400 ( -1.690 0.000 -4.044) 4.383 ======================= Grid point 192 (64/80) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -5.299 0.000 0.886) 5.373 1.330 ( 5.299 0.000 0.886) 5.373 1.676 ( -11.866 0.000 5.856) 13.233 1.676 ( 11.866 0.000 5.856) 13.233 1.770 ( -2.542 0.000 -1.418) 2.911 1.770 ( 2.542 0.000 -1.418) 2.911 1.853 ( -11.189 0.000 -0.359) 11.195 1.853 ( 11.189 0.000 -0.359) 11.195 2.223 ( -4.730 0.000 2.914) 5.555 2.223 ( 4.730 0.000 2.914) 5.555 2.521 ( -0.441 0.000 6.669) 6.684 2.521 ( 0.441 0.000 6.669) 6.684 3.095 ( -5.213 0.000 3.371) 6.208 3.095 ( 5.213 0.000 3.371) 6.208 3.107 ( -3.193 0.000 -3.863) 5.012 3.107 ( 3.193 0.000 -3.863) 5.012 3.213 ( -6.101 0.000 -2.732) 6.685 3.213 ( 6.101 0.000 -2.732) 6.685 3.400 ( -0.944 0.000 -2.183) 2.378 3.400 ( 0.944 0.000 -2.183) 2.378 3.858 ( -3.974 0.000 3.124) 5.055 3.858 ( 3.974 0.000 3.124) 5.055 4.047 ( -3.695 0.000 -5.198) 6.377 4.047 ( 3.695 0.000 -5.198) 6.377 9.162 ( -1.002 0.000 2.706) 2.886 9.162 ( 1.002 0.000 2.706) 2.886 9.351 ( -2.930 0.000 -0.872) 3.057 9.351 ( 2.930 0.000 -0.872) 3.057 9.566 ( -24.856 0.000 1.262) 24.888 9.566 ( 24.856 0.000 1.262) 24.888 9.611 ( -25.264 0.000 -2.899) 25.430 9.611 ( 25.264 0.000 -2.899) 25.430 10.105 ( -2.626 0.000 -2.653) 3.733 10.105 ( 2.626 0.000 -2.653) 3.733 11.072 ( -1.407 0.000 1.452) 2.022 11.072 ( 1.407 0.000 1.452) 2.022 20.032 ( -0.553 0.000 0.888) 1.046 20.032 ( 0.553 0.000 0.888) 1.046 20.953 ( -0.520 0.000 -0.842) 0.990 20.953 ( 0.520 0.000 -0.842) 0.990 21.534 ( -7.490 0.000 10.435) 12.845 21.534 ( 7.490 0.000 10.435) 12.845 21.707 ( -8.108 0.000 -5.917) 10.038 21.707 ( 8.108 0.000 -5.917) 10.038 23.484 ( -13.742 0.000 6.845) 15.352 23.484 ( 13.742 0.000 6.845) 15.352 23.700 ( -12.643 0.000 -10.841) 16.654 23.700 ( 12.643 0.000 -10.841) 16.654 24.510 ( -0.536 0.000 -0.761) 0.931 24.510 ( 0.536 0.000 -0.761) 0.931 24.519 ( -0.182 0.000 -0.146) 0.233 24.519 ( 0.182 0.000 -0.146) 0.233 24.575 ( -0.823 0.000 0.018) 0.823 24.575 ( 0.823 0.000 0.018) 0.823 24.609 ( -0.061 0.000 0.109) 0.125 24.609 ( 0.061 0.000 0.109) 0.125 51.873 ( -0.141 0.000 1.276) 1.283 51.873 ( 0.141 0.000 1.276) 1.283 52.106 ( -0.085 0.000 -1.099) 1.102 52.106 ( 0.085 0.000 -1.099) 1.102 52.690 ( -3.823 0.000 4.336) 5.780 52.690 ( 3.823 0.000 4.336) 5.780 52.911 ( -4.451 0.000 -2.313) 5.016 52.911 ( 4.451 0.000 -2.313) 5.016 53.818 ( -0.836 0.000 0.472) 0.960 53.818 ( 0.836 0.000 0.472) 0.960 54.034 ( -0.270 0.000 -0.956) 0.994 54.034 ( 0.270 0.000 -0.956) 0.994 54.680 ( -1.617 0.000 -0.119) 1.621 54.680 ( 1.617 0.000 -0.119) 1.621 55.366 ( -1.775 0.000 -1.402) 2.262 55.366 ( 1.775 0.000 -1.402) 2.262 ======================= Grid point 196 (65/80) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 14.342 11.171) 18.179 1.114 ( 0.000 7.757 10.078) 12.718 1.295 ( 0.000 13.082 -9.785) 16.337 1.313 ( 0.000 5.373 -6.749) 8.626 1.993 ( 0.000 -2.204 15.220) 15.379 2.070 ( 0.000 -5.384 0.640) 5.422 2.098 ( 0.000 -6.535 3.699) 7.510 2.157 ( 0.000 -4.704 4.205) 6.310 2.263 ( 0.000 -4.833 -1.992) 5.227 2.266 ( 0.000 -5.433 -0.755) 5.486 2.535 ( 0.000 -1.399 7.819) 7.943 2.665 ( 0.000 -2.001 1.481) 2.489 2.822 ( 0.000 1.624 -5.354) 5.595 2.851 ( 0.000 3.759 -3.243) 4.965 3.004 ( 0.000 7.545 5.813) 9.524 3.146 ( 0.000 4.826 -5.259) 7.138 3.259 ( 0.000 -3.897 3.764) 5.418 3.309 ( 0.000 -7.396 -2.515) 7.812 3.449 ( 0.000 -2.560 0.305) 2.578 3.518 ( 0.000 -0.221 -5.812) 5.816 3.654 ( 0.000 5.400 1.159) 5.523 3.751 ( 0.000 6.339 -7.180) 9.578 4.033 ( 0.000 -3.127 4.517) 5.494 4.114 ( 0.000 -3.732 -3.536) 5.141 8.508 ( 0.000 -7.419 -1.071) 7.495 8.530 ( 0.000 -7.007 -3.040) 7.638 9.174 ( 0.000 5.964 2.669) 6.534 9.237 ( 0.000 5.830 -3.395) 6.746 9.336 ( 0.000 8.811 8.419) 12.186 9.500 ( 0.000 6.117 -5.929) 8.519 10.062 ( 0.000 0.994 4.506) 4.614 10.207 ( 0.000 -1.779 -7.847) 8.046 10.483 ( 0.000 3.103 2.948) 4.280 10.553 ( 0.000 4.335 -3.643) 5.663 11.003 ( 0.000 -1.820 6.062) 6.329 11.100 ( 0.000 -2.282 -2.980) 3.753 20.065 ( 0.000 4.818 1.315) 4.994 20.094 ( 0.000 4.016 -1.263) 4.210 20.922 ( 0.000 -1.902 0.930) 2.117 20.961 ( 0.000 -1.824 -2.893) 3.420 21.406 ( 0.000 3.030 4.619) 5.524 21.505 ( 0.000 2.775 -5.005) 5.723 22.298 ( 0.000 1.217 8.133) 8.224 22.451 ( 0.000 0.155 -6.555) 6.556 22.591 ( 0.000 0.920 4.236) 4.335 22.677 ( 0.000 1.137 -4.150) 4.303 23.959 ( 0.000 -2.221 5.068) 5.533 24.074 ( 0.000 -2.707 -6.097) 6.671 24.394 ( 0.000 -4.371 1.098) 4.507 24.414 ( 0.000 -3.851 -0.749) 3.923 24.526 ( 0.000 -3.258 1.078) 3.431 24.534 ( 0.000 -2.813 0.502) 2.857 24.573 ( 0.000 1.392 0.372) 1.441 24.596 ( 0.000 -0.352 -1.307) 1.353 24.626 ( 0.000 1.783 0.376) 1.822 24.638 ( 0.000 3.073 -0.918) 3.207 51.878 ( 0.000 1.200 0.873) 1.484 51.886 ( 0.000 0.855 0.281) 0.900 52.130 ( 0.000 2.552 -0.710) 2.649 52.135 ( 0.000 2.515 -1.121) 2.753 52.617 ( 0.000 -0.332 -0.204) 0.390 52.617 ( 0.000 -0.274 -0.215) 0.348 53.283 ( 0.000 -0.071 1.384) 1.386 53.307 ( 0.000 0.574 -0.922) 1.086 53.668 ( 0.000 -0.002 0.968) 0.968 53.682 ( 0.000 -0.079 -0.464) 0.471 53.979 ( 0.000 -0.535 2.249) 2.312 54.028 ( 0.000 -1.112 -2.354) 2.604 54.517 ( 0.000 0.614 2.833) 2.899 54.581 ( 0.000 0.387 -3.438) 3.459 55.283 ( 0.000 -1.547 6.373) 6.558 55.409 ( 0.000 -2.390 -5.911) 6.376 ======================= Grid point 197 (66/80) ======================= q-point: ( 0.17 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 2.634 8.157 11.945) 14.703 1.260 ( 8.504 8.539 -0.764) 12.075 1.294 ( 4.996 9.821 -0.891) 11.054 1.423 ( 8.173 7.310 -5.440) 12.240 1.924 ( -9.792 -7.792 3.067) 12.884 1.970 ( -6.769 -6.453 1.598) 9.487 2.044 ( 1.346 -0.513 11.976) 12.062 2.195 ( 0.335 -1.096 0.669) 1.326 2.270 ( -2.911 2.135 4.261) 5.585 2.287 ( 1.015 -2.533 0.196) 2.736 2.545 ( 0.960 -3.351 5.332) 6.370 2.661 ( -1.677 -1.130 -0.687) 2.136 2.803 ( 1.407 -1.112 -0.275) 1.814 2.875 ( 1.362 2.657 -2.947) 4.195 3.017 ( 2.152 4.473 3.332) 5.978 3.154 ( -0.042 2.447 -6.867) 7.290 3.253 ( -0.502 -2.185 1.864) 2.916 3.283 ( -1.635 -5.840 -0.709) 6.106 3.501 ( 3.360 0.351 -0.762) 3.463 3.532 ( 0.622 3.247 -3.612) 4.897 3.654 ( 0.668 1.879 2.632) 3.302 3.775 ( 2.530 1.098 -8.029) 8.489 4.001 ( -2.747 -2.995 5.409) 6.766 4.102 ( -1.387 -3.666 -4.511) 5.976 8.639 ( 13.205 -7.517 -0.491) 15.203 8.668 ( 13.813 -7.309 -3.177) 15.947 9.189 ( 1.527 6.311 2.555) 6.977 9.246 ( 0.716 6.327 -2.616) 6.884 9.350 ( 1.673 8.336 7.164) 11.118 9.492 ( -0.849 5.745 -4.830) 7.554 10.052 ( -1.235 0.341 2.855) 3.130 10.168 ( -4.558 -2.660 -6.731) 8.553 10.384 ( -9.784 4.365 3.240) 11.193 10.461 ( -8.917 5.652 -4.009) 11.293 11.010 ( 0.688 -1.829 5.435) 5.776 11.093 ( -0.645 -2.252 -2.388) 3.345 20.066 ( 0.131 4.691 1.182) 4.839 20.092 ( -0.247 4.020 -1.088) 4.172 20.918 ( -0.360 -2.279 0.705) 2.413 20.952 ( -0.889 -2.201 -2.607) 3.526 21.420 ( 1.624 3.247 5.413) 6.518 21.530 ( 2.645 2.767 -5.306) 6.543 22.096 ( -18.555 3.571 6.436) 19.962 22.148 ( -12.409 2.266 1.041) 12.657 22.867 ( 15.252 -0.113 2.107) 15.398 22.966 ( 21.923 -1.954 -7.795) 23.349 23.896 ( -6.410 -2.209 5.660) 8.832 24.026 ( -5.051 -2.767 -6.906) 8.992 24.396 ( 0.211 -4.467 0.982) 4.579 24.415 ( 0.112 -3.900 -0.882) 4.000 24.495 ( -2.002 -4.812 1.791) 5.511 24.519 ( -1.486 -4.091 -0.680) 4.406 24.585 ( 1.066 2.720 0.566) 2.976 24.605 ( 0.631 2.610 -1.196) 2.940 24.644 ( 1.563 1.614 0.217) 2.257 24.654 ( 1.254 2.466 -0.793) 2.878 51.877 ( -0.052 1.080 0.836) 1.367 51.884 ( -0.155 0.790 0.313) 0.864 52.129 ( -0.079 2.332 -0.696) 2.435 52.135 ( -0.031 2.562 -1.193) 2.826 52.604 ( 0.250 -0.151 2.607) 2.623 52.658 ( 2.707 -0.235 -2.697) 3.828 53.163 ( -11.369 1.692 3.553) 12.031 53.205 ( -7.146 0.526 -0.846) 7.215 53.719 ( 3.279 -0.162 0.798) 3.378 53.742 ( 4.706 -0.447 -1.541) 4.972 53.995 ( 1.306 -0.746 1.432) 2.076 54.029 ( 0.091 -1.047 -1.850) 2.128 54.551 ( 3.367 0.576 2.860) 4.455 54.618 ( 3.396 0.297 -3.802) 5.107 55.287 ( 0.430 -2.142 5.313) 5.745 55.397 ( -1.263 -2.690 -5.322) 6.095 ======================= Grid point 198 (67/80) ======================= q-point: ( 0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 7.964 2.241 9.697) 12.747 1.339 ( 3.536 3.518 -7.902) 9.345 1.503 ( 10.046 7.002 4.521) 13.053 1.549 ( 1.472 -2.671 -0.690) 3.127 1.790 ( -1.352 -0.482 3.333) 3.629 1.839 ( -3.277 -1.399 -1.855) 4.017 2.098 ( -4.942 4.139 9.248) 11.273 2.132 ( 1.735 3.449 6.202) 7.305 2.200 ( -6.683 6.511 0.933) 9.377 2.263 ( -0.627 0.543 -2.065) 2.225 2.538 ( -1.535 -1.526 5.441) 5.856 2.587 ( -5.211 1.250 2.689) 5.995 2.899 ( 7.298 -5.430 -0.045) 9.097 2.940 ( 5.568 -2.542 -1.476) 6.296 3.064 ( 1.559 -0.880 -0.507) 1.860 3.125 ( -2.938 -2.015 -4.673) 5.876 3.239 ( -0.819 -0.855 0.054) 1.185 3.263 ( -0.759 0.456 -0.871) 1.242 3.518 ( -1.036 7.106 -1.316) 7.301 3.524 ( -1.316 7.236 -1.774) 7.566 3.708 ( 4.510 -5.267 3.938) 7.974 3.822 ( 0.968 -6.276 -5.319) 8.283 3.963 ( -0.153 -2.386 2.981) 3.821 4.061 ( -2.771 -3.941 -5.465) 7.285 8.966 ( 19.154 -8.029 0.882) 20.787 9.004 ( 19.118 -8.057 -2.489) 20.895 9.230 ( 2.628 6.497 1.211) 7.112 9.255 ( 0.456 6.840 -0.338) 6.863 9.410 ( 4.991 7.047 2.775) 9.070 9.470 ( -1.050 4.255 -1.579) 4.659 9.960 ( -11.705 -0.609 -0.436) 11.729 9.994 ( -14.744 -2.651 -3.315) 15.343 10.195 ( -5.684 7.864 2.840) 10.110 10.282 ( -7.702 7.673 -4.898) 11.924 11.028 ( 1.167 -1.888 3.755) 4.362 11.076 ( -1.134 -2.153 -0.760) 2.549 20.070 ( 0.297 4.408 0.767) 4.484 20.085 ( -0.416 4.048 -0.586) 4.111 20.912 ( -0.203 -3.064 0.083) 3.072 20.932 ( -1.138 -3.003 -1.836) 3.699 21.474 ( 4.289 4.009 7.382) 9.431 21.607 ( 5.459 2.999 -5.750) 8.477 21.791 ( -13.080 5.013 10.381) 17.435 21.926 ( -10.829 3.300 -3.371) 11.812 23.175 ( 16.395 -1.106 5.948) 17.475 23.349 ( 18.088 -3.080 -11.229) 21.511 23.726 ( -11.229 -2.223 6.589) 13.208 23.884 ( -9.778 -3.066 -8.748) 13.473 24.401 ( 0.343 -4.699 0.852) 4.788 24.416 ( -0.161 -4.122 -0.539) 4.160 24.468 ( -0.689 -5.892 1.362) 6.086 24.491 ( -1.381 -5.226 -0.923) 5.484 24.605 ( 0.959 3.754 0.195) 3.880 24.616 ( 0.440 3.908 -0.787) 4.011 24.671 ( 1.016 2.832 -0.257) 3.020 24.674 ( 0.756 2.652 -0.652) 2.833 51.876 ( -0.006 0.831 0.726) 1.103 51.881 ( -0.197 0.674 0.413) 0.814 52.129 ( 0.014 2.111 -0.794) 2.255 52.133 ( -0.140 2.409 -1.203) 2.696 52.630 ( 2.563 0.284 4.644) 5.311 52.710 ( 2.086 -0.155 -2.909) 3.582 52.968 ( -7.499 2.679 5.345) 9.591 53.055 ( -7.805 1.327 -3.096) 8.501 53.779 ( 2.740 -0.298 1.301) 3.048 53.805 ( 1.872 -0.378 -1.181) 2.245 54.016 ( 0.754 -0.959 -0.041) 1.221 54.029 ( -0.111 -0.919 -1.207) 1.521 54.628 ( 4.117 0.609 2.183) 4.700 54.679 ( 2.264 0.466 -2.921) 3.725 55.300 ( 0.912 -3.311 2.448) 4.217 55.364 ( -2.078 -3.368 -3.721) 5.432 ======================= Grid point 199 (68/80) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -7.165 -0.675 4.013) 8.240 1.315 ( 7.165 -0.675 4.013) 8.240 1.552 ( -2.687 -4.501 -3.852) 6.505 1.552 ( 2.687 -4.501 -3.852) 6.505 1.854 ( -5.734 4.250 7.633) 10.450 1.854 ( 5.734 4.250 7.633) 10.450 2.028 ( -7.088 11.518 -0.472) 13.532 2.028 ( 7.088 11.518 -0.472) 13.532 2.231 ( -4.068 1.523 1.219) 4.511 2.231 ( 4.068 1.523 1.219) 4.511 2.519 ( -0.808 0.139 5.860) 5.917 2.519 ( 0.808 0.139 5.860) 5.917 3.027 ( -5.151 -4.277 -0.517) 6.715 3.027 ( 5.151 -4.277 -0.517) 6.715 3.052 ( -4.766 -5.459 -2.932) 7.817 3.052 ( 4.766 -5.459 -2.932) 7.817 3.242 ( -1.210 2.785 -0.352) 3.057 3.242 ( 1.210 2.785 -0.352) 3.057 3.504 ( -0.177 7.619 -1.293) 7.730 3.504 ( 0.177 7.619 -1.293) 7.730 3.790 ( -3.570 -6.307 1.921) 7.498 3.790 ( 3.570 -6.307 1.921) 7.498 4.002 ( -3.218 -3.991 -4.085) 6.555 4.002 ( 3.218 -3.991 -4.085) 6.555 9.201 ( -2.551 0.138 4.003) 4.749 9.201 ( 2.551 0.138 4.003) 4.749 9.279 ( -4.816 -0.851 -3.088) 5.784 9.279 ( 4.816 -0.851 -3.088) 5.784 9.527 ( -1.947 -4.333 -1.576) 5.005 9.527 ( 1.947 -4.333 -1.576) 5.005 9.719 ( -1.343 8.990 0.403) 9.099 9.719 ( 1.343 8.990 0.403) 9.099 10.186 ( -2.765 6.770 -2.242) 7.649 10.186 ( 2.765 6.770 -2.242) 7.649 11.052 ( -1.329 -2.012 1.488) 2.833 11.052 ( 1.329 -2.012 1.488) 2.833 20.077 ( -0.427 4.162 0.113) 4.185 20.077 ( 0.427 4.162 0.113) 4.185 20.915 ( -0.547 -3.440 -0.832) 3.582 20.915 ( 0.547 -3.440 -0.832) 3.582 21.589 ( -7.921 4.971 9.331) 13.211 21.589 ( 7.921 4.971 9.331) 13.211 21.743 ( -8.288 3.293 -4.946) 10.198 21.743 ( 8.288 3.293 -4.946) 10.198 23.471 ( -14.260 -1.341 6.738) 15.829 23.471 ( 14.260 -1.341 6.738) 15.829 23.659 ( -13.560 -3.735 -10.432) 17.512 23.659 ( 13.560 -3.735 -10.432) 17.512 24.409 ( -0.460 -4.665 0.546) 4.720 24.409 ( 0.460 -4.665 0.546) 4.720 24.470 ( -0.751 -5.744 -0.256) 5.798 24.470 ( 0.751 -5.744 -0.256) 5.798 24.618 ( -0.303 4.111 -0.286) 4.132 24.618 ( 0.303 4.111 -0.286) 4.132 24.681 ( -0.090 3.161 -0.544) 3.209 24.681 ( 0.090 3.161 -0.544) 3.209 51.877 ( -0.114 0.662 0.567) 0.879 51.877 ( 0.114 0.662 0.567) 0.879 52.130 ( -0.135 2.159 -1.024) 2.394 52.130 ( 0.135 2.159 -1.024) 2.394 52.695 ( -3.505 0.406 3.584) 5.030 52.695 ( 3.505 0.406 3.584) 5.030 52.935 ( -3.815 2.084 -1.495) 4.597 52.935 ( 3.815 2.084 -1.495) 4.597 53.815 ( -0.821 -0.315 0.424) 0.976 53.815 ( 0.821 -0.315 0.424) 0.976 54.025 ( -0.306 -0.924 -0.862) 1.301 54.025 ( 0.306 -0.924 -0.862) 1.301 54.687 ( -1.592 0.688 -0.091) 1.737 54.687 ( 1.592 0.688 -0.091) 1.737 55.325 ( -1.810 -3.818 -1.066) 4.358 55.325 ( 1.810 -3.818 -1.066) 4.358 ======================= Grid point 203 (69/80) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 12.140 5.258) 13.230 1.346 ( 0.000 11.156 6.273) 12.798 1.496 ( 0.000 11.851 0.358) 11.857 1.594 ( 0.000 12.983 -6.865) 14.686 1.860 ( 0.000 -7.527 4.207) 8.623 1.923 ( 0.000 -7.521 -1.652) 7.700 2.048 ( 0.000 -3.558 5.701) 6.721 2.051 ( 0.000 0.746 10.488) 10.515 2.163 ( 0.000 -4.397 0.614) 4.439 2.166 ( 0.000 -3.950 -4.934) 6.320 2.545 ( 0.000 1.436 8.316) 8.439 2.638 ( 0.000 -0.658 6.730) 6.762 2.816 ( 0.000 -1.776 -7.328) 7.540 2.861 ( 0.000 -1.830 -4.179) 4.562 3.079 ( 0.000 -1.741 2.499) 3.046 3.143 ( 0.000 -8.479 -3.011) 8.998 3.278 ( 0.000 6.370 -0.749) 6.414 3.288 ( 0.000 6.202 0.394) 6.215 3.349 ( 0.000 -5.576 3.490) 6.579 3.490 ( 0.000 -1.910 -8.215) 8.434 3.753 ( 0.000 2.532 4.049) 4.776 3.861 ( 0.000 0.436 -5.416) 5.433 3.979 ( 0.000 1.108 2.679) 2.899 4.036 ( 0.000 -2.297 -2.753) 3.585 8.348 ( 0.000 -7.413 -1.765) 7.620 8.372 ( 0.000 -7.622 -3.877) 8.552 9.332 ( 0.000 8.718 2.716) 9.131 9.389 ( 0.000 8.053 -2.700) 8.494 9.536 ( 0.000 9.670 5.907) 11.332 9.626 ( 0.000 5.215 -1.785) 5.512 10.115 ( 0.000 4.556 0.225) 4.562 10.190 ( 0.000 0.632 -5.801) 5.835 10.560 ( 0.000 3.945 4.059) 5.660 10.643 ( 0.000 3.826 -3.696) 5.319 10.942 ( 0.000 -4.121 5.283) 6.701 11.024 ( 0.000 -5.141 -2.262) 5.616 20.186 ( 0.000 6.387 -0.898) 6.450 20.201 ( 0.000 5.924 -1.854) 6.207 20.866 ( 0.000 -3.416 0.369) 3.436 20.904 ( 0.000 -3.716 -3.365) 5.013 21.488 ( 0.000 4.670 4.291) 6.342 21.575 ( 0.000 3.612 -3.891) 5.309 22.339 ( 0.000 2.762 7.128) 7.644 22.459 ( 0.000 0.650 -4.424) 4.471 22.619 ( 0.000 1.669 4.340) 4.650 22.706 ( 0.000 1.556 -4.237) 4.514 23.899 ( 0.000 -3.309 4.369) 5.481 23.996 ( 0.000 -4.490 -5.033) 6.745 24.322 ( 0.000 -2.744 0.985) 2.916 24.347 ( 0.000 -2.691 -1.299) 2.988 24.437 ( 0.000 -4.171 2.057) 4.650 24.464 ( 0.000 -3.597 -0.686) 3.662 24.571 ( 0.000 -0.806 0.298) 0.859 24.579 ( 0.000 -1.078 -0.460) 1.172 24.676 ( 0.000 2.335 1.095) 2.579 24.701 ( 0.000 2.455 -1.361) 2.807 51.918 ( 0.000 2.424 -0.180) 2.431 51.924 ( 0.000 3.327 -1.039) 3.485 52.201 ( 0.000 3.960 -0.329) 3.973 52.211 ( 0.000 4.620 -1.197) 4.773 52.598 ( 0.000 -1.302 0.182) 1.315 52.605 ( 0.000 -1.188 -0.617) 1.339 53.270 ( 0.000 -1.275 2.218) 2.559 53.304 ( 0.000 -1.077 -1.032) 1.492 53.671 ( 0.000 0.397 0.969) 1.048 53.684 ( 0.000 0.287 -0.267) 0.392 53.964 ( 0.000 -0.967 1.519) 1.801 53.997 ( 0.000 -1.775 -1.612) 2.398 54.536 ( 0.000 1.253 2.576) 2.865 54.593 ( 0.000 0.754 -2.951) 3.046 55.240 ( 0.000 -2.457 5.312) 5.852 55.343 ( 0.000 -3.856 -4.617) 6.016 ======================= Grid point 204 (70/80) ======================= q-point: ( 0.17 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -1.361 13.040 9.741) 16.333 1.435 ( 3.370 8.137 -4.511) 9.895 1.534 ( 4.280 10.371 2.977) 11.608 1.572 ( -2.976 3.996 -0.728) 5.036 1.829 ( 0.615 0.706 1.147) 1.480 1.859 ( -5.027 -1.790 -1.207) 5.471 2.036 ( 3.605 -0.944 9.705) 10.396 2.155 ( 2.120 -1.833 1.674) 3.264 2.210 ( 6.277 -3.670 2.963) 7.851 2.261 ( 6.801 -3.071 -1.983) 7.721 2.506 ( -2.483 0.256 9.116) 9.451 2.643 ( -0.214 -0.589 3.531) 3.586 2.792 ( -1.672 -0.599 -4.491) 4.830 2.879 ( 0.943 -1.993 -5.388) 5.821 3.051 ( -2.261 -1.751 2.144) 3.575 3.117 ( -2.541 -7.323 -3.413) 8.470 3.256 ( -1.194 5.232 2.001) 5.727 3.305 ( 1.367 4.817 -1.796) 5.320 3.420 ( 6.359 -5.805 2.660) 9.012 3.537 ( 4.339 -2.044 -7.014) 8.497 3.721 ( -3.050 2.284 3.185) 4.966 3.803 ( -5.504 -0.854 -3.574) 6.618 3.959 ( -1.951 0.938 2.404) 3.235 4.023 ( -1.671 -2.772 -3.477) 4.750 8.481 ( 13.422 -7.116 -1.360) 15.253 8.508 ( 13.727 -7.475 -3.828) 16.093 9.354 ( 2.222 9.097 2.653) 9.733 9.412 ( 2.171 8.884 -3.015) 9.629 9.526 ( -0.986 7.908 5.540) 9.706 9.601 ( -2.770 4.033 -1.098) 5.015 10.098 ( -2.042 4.447 -1.031) 5.000 10.144 ( -4.898 0.956 -4.646) 6.818 10.486 ( -7.003 4.992 4.263) 9.599 10.573 ( -6.730 4.627 -3.838) 9.024 10.949 ( 0.626 -4.130 4.734) 6.313 11.019 ( -0.553 -5.068 -1.727) 5.382 20.185 ( -0.039 6.368 -0.891) 6.430 20.199 ( -0.163 6.019 -1.868) 6.304 20.853 ( -1.225 -3.867 0.209) 4.062 20.886 ( -1.698 -4.103 -3.053) 5.389 21.508 ( 2.231 4.941 4.785) 7.231 21.600 ( 2.758 3.654 -3.946) 6.044 22.195 ( -15.566 5.605 4.441) 17.129 22.217 ( -10.012 4.264 2.228) 11.108 22.861 ( 13.365 -0.465 0.720) 13.393 22.914 ( 18.628 -2.830 -4.494) 19.370 23.838 ( -6.234 -3.144 4.796) 8.470 23.947 ( -5.251 -4.602 -5.674) 8.997 24.321 ( -0.133 -2.955 1.230) 3.204 24.349 ( 0.191 -2.662 -1.426) 3.026 24.394 ( -3.007 -4.233 2.271) 5.668 24.433 ( -2.428 -3.946 -1.572) 4.893 24.608 ( 2.873 0.001 0.864) 3.000 24.627 ( 3.586 -0.284 -0.948) 3.720 24.683 ( 0.632 2.109 1.229) 2.521 24.710 ( 0.811 2.288 -1.465) 2.835 51.916 ( -0.260 2.412 -0.240) 2.438 51.921 ( -0.314 3.203 -1.010) 3.373 52.191 ( -0.725 3.330 -0.128) 3.410 52.208 ( -0.437 4.192 -1.703) 4.545 52.595 ( 1.026 -0.611 2.649) 2.906 52.648 ( 3.157 -0.733 -2.509) 4.099 53.192 ( -9.126 0.773 2.242) 9.429 53.209 ( -5.939 -0.321 0.444) 5.964 53.716 ( 2.867 -0.040 0.628) 2.935 53.733 ( 4.432 -0.363 -1.085) 4.578 53.972 ( 0.740 -1.398 1.215) 1.995 53.999 ( 0.191 -1.759 -1.388) 2.249 54.570 ( 3.338 1.227 2.603) 4.407 54.629 ( 3.390 0.705 -3.204) 4.717 55.229 ( -1.036 -3.244 4.784) 5.873 55.323 ( -2.057 -4.296 -4.246) 6.381 ======================= Grid point 205 (71/80) ======================= q-point: ( 0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 1.775 9.634 10.069) 14.048 1.448 ( -4.575 4.509 -0.166) 6.426 1.492 ( 0.254 1.290 -2.074) 2.456 1.598 ( -1.069 2.814 -5.587) 6.346 1.834 ( 4.062 4.665 8.299) 10.351 1.913 ( 5.851 5.460 -0.236) 8.006 2.116 ( 3.432 0.031 5.871) 6.800 2.176 ( -0.617 -0.326 1.714) 1.850 2.277 ( 2.320 2.140 7.108) 7.778 2.367 ( 3.011 6.302 -1.591) 7.163 2.492 ( 0.406 -2.976 5.977) 6.690 2.616 ( -2.867 0.810 -1.507) 3.339 2.796 ( 3.337 -3.479 0.033) 4.821 2.889 ( 0.810 -3.351 -5.089) 6.146 3.008 ( -2.356 -3.474 -0.467) 4.223 3.046 ( -4.811 -4.997 -3.079) 7.589 3.260 ( 1.704 3.086 3.512) 4.976 3.325 ( 0.321 3.978 -2.181) 4.548 3.549 ( 6.038 -6.758 1.529) 9.190 3.628 ( 4.159 -3.392 -5.093) 7.399 3.660 ( -2.303 3.412 1.306) 4.319 3.686 ( -5.536 -0.717 -0.608) 5.615 3.913 ( -2.469 -1.737 1.245) 3.265 3.969 ( -3.770 -4.123 -3.877) 6.801 8.815 ( 20.069 -6.280 -0.484) 21.035 8.846 ( 20.077 -6.804 -3.346) 21.461 9.399 ( 1.000 8.651 1.961) 8.926 9.432 ( -2.210 8.793 -0.630) 9.089 9.513 ( 0.025 3.286 0.437) 3.315 9.518 ( -4.693 1.551 0.268) 4.950 10.001 ( -8.802 3.757 -0.882) 9.611 10.019 ( -7.130 5.219 -2.283) 9.126 10.356 ( -4.516 7.399 3.006) 9.175 10.432 ( -6.859 6.405 -3.738) 10.102 10.964 ( 0.970 -4.311 3.361) 5.552 11.004 ( -0.948 -4.893 -0.318) 4.994 20.185 ( 0.088 6.340 -1.021) 6.422 20.195 ( -0.312 6.190 -1.739) 6.437 20.829 ( -1.030 -4.720 -0.288) 4.840 20.849 ( -1.933 -4.823 -2.225) 5.653 21.581 ( 5.555 5.876 6.019) 10.080 21.684 ( 6.143 4.112 -3.908) 8.361 21.926 ( -12.504 7.559 7.663) 16.499 22.018 ( -10.447 5.334 -1.432) 11.817 23.142 ( 15.391 -2.013 4.005) 16.030 23.259 ( 17.255 -5.277 -7.473) 19.530 23.671 ( -11.026 -2.796 5.349) 12.570 23.798 ( -10.277 -4.962 -6.851) 13.311 24.318 ( -0.038 -3.429 1.780) 3.864 24.345 ( -1.510 -3.259 2.015) 4.118 24.357 ( 0.165 -3.827 -1.568) 4.139 24.392 ( -1.680 -3.994 -2.209) 4.863 24.657 ( 2.051 1.315 1.207) 2.719 24.680 ( 1.310 2.121 -0.576) 2.559 24.702 ( 1.574 0.755 0.268) 1.766 24.725 ( 0.608 1.914 -1.585) 2.559 51.911 ( -0.213 2.422 -0.408) 2.465 51.914 ( -0.367 2.895 -0.875) 3.047 52.180 ( -0.317 2.462 -0.428) 2.519 52.195 ( -0.844 3.092 -1.830) 3.691 52.640 ( 3.528 0.849 4.293) 5.622 52.710 ( 2.767 0.317 -2.484) 3.732 53.025 ( -7.042 2.314 4.027) 8.436 53.081 ( -6.854 0.873 -1.486) 7.067 53.773 ( 2.714 -0.219 1.144) 2.953 53.797 ( 2.073 -0.312 -1.226) 2.429 53.985 ( 0.553 -2.014 0.332) 2.115 54.000 ( -0.119 -1.819 -1.107) 2.133 54.648 ( 4.359 1.409 2.072) 5.028 54.696 ( 2.853 1.172 -2.643) 4.062 55.209 ( -0.681 -5.097 2.905) 5.906 55.271 ( -3.126 -5.386 -3.041) 6.930 ======================= Grid point 206 (72/80) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -4.764 4.234 8.168) 10.360 1.344 ( 4.764 4.234 8.168) 10.360 1.539 ( -3.536 3.186 -8.068) 9.367 1.539 ( 3.536 3.186 -8.068) 9.367 1.940 ( -4.243 3.721 7.565) 9.438 1.940 ( 4.243 3.721 7.565) 9.438 2.152 ( -1.701 1.068 2.485) 3.195 2.152 ( 1.701 1.068 2.485) 3.195 2.346 ( -4.013 7.615 3.396) 9.253 2.346 ( 4.013 7.615 3.396) 9.253 2.537 ( -4.516 1.355 0.053) 4.715 2.537 ( 4.516 1.355 0.053) 4.715 2.893 ( -3.941 -8.085 -1.881) 9.189 2.893 ( 3.941 -8.085 -1.881) 9.189 2.969 ( -0.968 -2.628 -2.193) 3.557 2.969 ( 0.968 -2.628 -2.193) 3.557 3.305 ( -2.320 3.257 0.840) 4.087 3.305 ( 2.320 3.257 0.840) 4.087 3.605 ( -1.657 -6.423 -0.365) 6.643 3.605 ( 1.657 -6.423 -0.365) 6.643 3.672 ( -1.325 3.922 -0.331) 4.153 3.672 ( 1.325 3.922 -0.331) 4.153 3.902 ( -2.174 -5.291 -2.250) 6.147 3.902 ( 2.174 -5.291 -2.250) 6.147 9.121 ( -2.510 -4.061 -0.534) 4.803 9.121 ( 2.510 -4.061 -0.534) 4.803 9.325 ( -0.881 -2.036 -0.253) 2.233 9.325 ( 0.881 -2.036 -0.253) 2.233 9.510 ( -2.069 6.624 -1.571) 7.115 9.510 ( 2.069 6.624 -1.571) 7.115 9.905 ( -1.639 8.356 1.022) 8.576 9.905 ( 1.639 8.356 1.022) 8.576 10.341 ( -2.387 7.517 -1.349) 8.002 10.341 ( 2.387 7.517 -1.349) 8.002 10.984 ( -1.088 -4.621 1.539) 4.990 10.984 ( 1.088 -4.621 1.539) 4.990 20.189 ( -0.279 6.298 -1.376) 6.453 20.189 ( 0.279 6.298 -1.376) 6.453 20.823 ( -0.554 -5.136 -1.170) 5.297 20.823 ( 0.554 -5.136 -1.170) 5.297 21.720 ( -9.020 7.170 7.125) 13.547 21.720 ( 9.020 7.170 7.125) 13.547 21.831 ( -8.938 4.888 -2.858) 10.580 21.831 ( 8.938 4.888 -2.858) 10.580 23.426 ( -13.864 -3.035 5.104) 15.083 23.426 ( 13.864 -3.035 5.104) 15.083 23.564 ( -13.941 -5.045 -7.579) 16.651 23.564 ( 13.941 -5.045 -7.579) 16.651 24.323 ( -0.631 -3.727 2.171) 4.359 24.323 ( 0.631 -3.727 2.171) 4.359 24.369 ( -0.872 -3.634 -2.263) 4.369 24.369 ( 0.872 -3.634 -2.263) 4.369 24.683 ( -0.667 2.167 0.985) 2.472 24.683 ( 0.667 2.167 0.985) 2.472 24.726 ( -0.640 1.317 -1.428) 2.045 24.726 ( 0.640 1.317 -1.428) 2.045 51.909 ( -0.098 2.578 -0.642) 2.658 51.909 ( 0.098 2.578 -0.642) 2.658 52.181 ( -0.448 2.329 -1.205) 2.661 52.181 ( 0.448 2.329 -1.205) 2.661 52.712 ( -2.985 1.502 2.549) 4.203 52.712 ( 2.985 1.502 2.549) 4.203 52.979 ( -2.679 1.694 -0.192) 3.176 52.979 ( 2.679 1.694 -0.192) 3.176 53.809 ( -0.813 -0.157 0.294) 0.879 53.809 ( 0.813 -0.157 0.294) 0.879 53.994 ( -0.458 -2.051 -0.659) 2.202 53.994 ( 0.458 -2.051 -0.659) 2.202 54.711 ( -1.555 1.718 -0.042) 2.318 54.711 ( 1.555 1.718 -0.042) 2.318 55.219 ( -1.857 -6.168 -0.440) 6.456 55.219 ( 1.857 -6.168 -0.440) 6.456 ======================= Grid point 210 (73/80) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 3.589 5.301) 6.402 1.555 ( 0.000 6.920 -0.719) 6.957 1.606 ( 0.000 -0.944 3.396) 3.524 1.649 ( 0.000 -4.708 -0.242) 4.714 1.865 ( 0.000 6.763 3.901) 7.807 1.889 ( 0.000 3.005 1.870) 3.539 2.050 ( 0.000 -1.160 -0.131) 1.168 2.074 ( 0.000 -3.300 1.968) 3.843 2.113 ( 0.000 9.218 2.110) 9.457 2.165 ( 0.000 5.109 0.881) 5.185 2.573 ( 0.000 0.776 5.838) 5.890 2.645 ( 0.000 1.277 6.968) 7.084 2.758 ( 0.000 -3.686 -5.387) 6.527 2.805 ( 0.000 -3.191 -0.306) 3.206 2.971 ( 0.000 -7.328 -4.254) 8.473 2.991 ( 0.000 -6.137 -3.800) 7.218 3.237 ( 0.000 -2.973 4.271) 5.204 3.356 ( 0.000 -0.156 -4.743) 4.746 3.439 ( 0.000 5.913 1.786) 6.177 3.466 ( 0.000 0.458 -1.474) 1.544 3.726 ( 0.000 -3.814 0.735) 3.884 3.767 ( 0.000 -6.318 -2.412) 6.763 4.060 ( 0.000 3.612 0.655) 3.671 4.072 ( 0.000 4.855 -0.327) 4.866 8.219 ( 0.000 -4.868 -2.777) 5.605 8.235 ( 0.000 -5.353 -4.186) 6.796 9.506 ( 0.000 7.427 3.657) 8.278 9.536 ( 0.000 5.642 1.040) 5.737 9.705 ( 0.000 2.749 -1.176) 2.991 9.706 ( 0.000 6.221 -1.279) 6.351 10.250 ( 0.000 8.173 -1.602) 8.328 10.255 ( 0.000 6.077 -2.166) 6.451 10.635 ( 0.000 3.160 3.371) 4.620 10.694 ( 0.000 0.588 -1.669) 1.770 10.836 ( 0.000 -5.772 3.207) 6.603 10.886 ( 0.000 -8.095 -1.042) 8.162 20.314 ( 0.000 5.797 -2.222) 6.209 20.323 ( 0.000 5.594 -2.596) 6.167 20.787 ( 0.000 -4.041 -0.670) 4.097 20.813 ( 0.000 -4.790 -3.431) 5.892 21.584 ( 0.000 4.288 3.393) 5.468 21.642 ( 0.000 2.583 -1.914) 3.215 22.405 ( 0.000 3.350 5.319) 6.286 22.475 ( 0.000 0.815 -1.459) 1.671 22.658 ( 0.000 2.105 3.646) 4.210 22.732 ( 0.000 0.764 -3.594) 3.674 23.835 ( 0.000 -2.545 3.168) 4.064 23.902 ( 0.000 -4.371 -3.125) 5.373 24.275 ( 0.000 -1.691 0.810) 1.875 24.300 ( 0.000 -1.918 -1.477) 2.421 24.375 ( 0.000 -1.790 1.378) 2.259 24.399 ( 0.000 -2.473 -0.917) 2.638 24.552 ( 0.000 -0.877 0.172) 0.894 24.556 ( 0.000 -1.023 -0.233) 1.050 24.714 ( 0.000 1.369 1.100) 1.756 24.735 ( 0.000 0.914 -0.979) 1.340 51.984 ( 0.000 3.749 -0.108) 3.751 52.007 ( 0.000 4.247 -2.509) 4.933 52.279 ( 0.000 3.201 0.161) 3.205 52.307 ( 0.000 4.113 -2.415) 4.769 52.570 ( 0.000 -1.206 0.396) 1.269 52.571 ( 0.000 -1.788 -0.019) 1.789 53.234 ( 0.000 -1.991 2.306) 3.047 53.264 ( 0.000 -2.543 -0.595) 2.612 53.682 ( 0.000 0.592 1.005) 1.166 53.692 ( 0.000 0.362 0.121) 0.382 53.943 ( 0.000 -0.958 0.584) 1.122 53.960 ( 0.000 -1.642 -1.059) 1.954 54.567 ( 0.000 1.661 2.002) 2.601 54.609 ( 0.000 0.710 -2.061) 2.179 55.191 ( 0.000 -2.079 3.588) 4.147 55.260 ( 0.000 -3.949 -3.058) 4.995 ======================= Grid point 211 (74/80) ======================= q-point: ( 0.17 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -2.382 0.580 3.360) 4.159 1.530 ( 1.342 7.725 4.040) 8.820 1.634 ( -0.376 1.905 1.085) 2.224 1.680 ( 3.334 7.523 -0.547) 8.247 1.874 ( 4.655 2.940 3.235) 6.385 1.959 ( -2.573 5.526 -3.421) 6.990 2.008 ( 4.950 -0.031 7.711) 9.164 2.102 ( 3.109 -3.626 2.498) 5.390 2.198 ( 6.010 -0.580 0.144) 6.040 2.208 ( 3.912 3.326 1.032) 5.237 2.535 ( -3.105 1.319 6.965) 7.739 2.640 ( -0.983 -0.185 3.574) 3.711 2.765 ( 0.517 -2.062 -3.817) 4.369 2.821 ( 0.766 -2.508 -2.790) 3.829 2.949 ( -1.324 -7.694 -0.824) 7.850 2.981 ( -1.384 -4.701 -3.069) 5.782 3.293 ( 4.780 -3.160 0.521) 5.754 3.338 ( -1.045 -0.056 -2.783) 2.973 3.426 ( -0.068 4.375 3.922) 5.876 3.510 ( 2.822 0.932 -3.834) 4.850 3.699 ( -2.390 -3.486 0.202) 4.231 3.725 ( -3.653 -5.299 -1.575) 6.626 4.022 ( -4.015 2.999 0.477) 5.034 4.032 ( -4.051 3.409 -0.341) 5.305 8.359 ( 14.098 -4.553 -2.464) 15.018 8.376 ( 14.220 -5.111 -4.015) 15.635 9.533 ( 2.214 7.140 4.350) 8.649 9.568 ( 2.798 5.207 1.789) 6.176 9.656 ( -4.977 3.108 -1.880) 6.161 9.671 ( -3.425 5.173 -2.650) 6.746 10.218 ( -3.807 6.563 -1.146) 7.674 10.231 ( -2.565 7.496 -2.157) 8.211 10.577 ( -5.139 3.558 3.443) 7.136 10.638 ( -5.178 1.337 -1.990) 5.706 10.843 ( 0.572 -5.779 3.104) 6.584 10.885 ( -0.214 -7.621 -0.585) 7.646 20.315 ( 0.121 5.977 -2.101) 6.337 20.325 ( 0.139 5.812 -2.718) 6.418 20.766 ( -2.038 -4.434 -0.760) 4.939 20.789 ( -2.313 -5.062 -3.232) 6.435 21.609 ( 2.812 4.497 3.661) 6.445 21.668 ( 3.004 2.676 -1.815) 4.414 22.304 ( -10.466 4.705 3.529) 12.005 22.319 ( -9.426 5.115 2.097) 10.928 22.843 ( 12.420 -1.428 0.152) 12.503 22.862 ( 13.020 -1.882 -1.867) 13.287 23.778 ( -5.942 -2.423 3.360) 7.243 23.849 ( -5.570 -4.539 -3.367) 7.936 24.271 ( -0.407 -1.680 1.053) 2.024 24.300 ( -0.053 -2.018 -1.648) 2.605 24.337 ( -2.667 -1.516 1.228) 3.304 24.366 ( -2.439 -2.450 -1.524) 3.778 24.601 ( 3.934 -0.482 0.653) 4.017 24.612 ( 4.493 -0.854 -0.446) 4.595 24.718 ( 0.370 1.315 1.166) 1.796 24.741 ( 0.541 0.802 -1.083) 1.452 51.982 ( -0.188 3.840 -0.242) 3.852 52.003 ( -0.363 4.379 -2.498) 5.054 52.249 ( -2.346 1.911 0.351) 3.046 52.285 ( -2.257 2.560 -3.106) 4.615 52.588 ( 3.207 0.269 2.872) 4.313 52.634 ( 4.659 -0.430 -1.710) 4.981 53.187 ( -5.048 -1.193 1.467) 5.391 53.191 ( -6.087 -1.148 1.116) 6.294 53.718 ( 2.569 0.157 0.637) 2.651 53.728 ( 3.759 -0.085 -0.469) 3.789 53.942 ( -0.129 -1.375 0.773) 1.583 53.961 ( 0.032 -1.789 -1.119) 2.110 54.601 ( 3.429 1.715 2.045) 4.345 54.645 ( 3.572 0.761 -2.261) 4.296 55.165 ( -2.599 -2.716 3.449) 5.101 55.231 ( -2.978 -4.351 -2.907) 6.021 ======================= Grid point 212 (75/80) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -0.161 5.787 6.507) 8.709 1.547 ( -1.398 11.179 8.526) 14.129 1.615 ( 0.958 6.605 -5.422) 8.599 1.722 ( -0.782 9.566 -6.394) 11.533 1.933 ( 2.272 4.375 7.303) 8.811 1.984 ( 4.354 0.693 0.637) 4.454 2.104 ( 4.008 -0.999 5.630) 6.983 2.170 ( 1.591 0.000 1.389) 2.112 2.298 ( 6.526 -1.392 5.178) 8.447 2.337 ( 8.044 -6.602 1.243) 10.480 2.484 ( -1.879 -0.234 5.409) 5.731 2.603 ( -3.091 -3.273 -0.104) 4.503 2.767 ( -0.334 0.141 -3.530) 3.548 2.803 ( -2.257 -2.570 -4.837) 5.924 2.933 ( -0.976 -4.176 -0.854) 4.373 2.947 ( -1.693 -4.256 -2.261) 5.108 3.316 ( 0.834 1.200 3.216) 3.533 3.404 ( 3.158 0.964 -4.483) 5.568 3.428 ( 0.569 -2.045 3.701) 4.267 3.530 ( -1.592 -0.379 -4.614) 4.896 3.671 ( 1.215 -2.669 1.025) 3.106 3.695 ( 2.238 -1.665 -1.441) 3.140 3.912 ( -7.147 1.347 0.802) 7.317 3.929 ( -6.521 0.416 -1.008) 6.612 8.712 ( 21.533 -3.674 -1.738) 21.913 8.731 ( 21.584 -4.308 -3.488) 22.284 9.468 ( -11.434 -0.755 1.330) 11.536 9.482 ( -11.820 -0.859 -0.133) 11.852 9.650 ( 4.576 9.428 0.165) 10.481 9.676 ( 4.272 9.710 -1.965) 10.788 10.112 ( -6.585 6.117 0.729) 9.017 10.141 ( -6.611 5.725 -1.702) 8.909 10.493 ( -2.661 5.700 2.246) 6.679 10.537 ( -4.466 3.813 -1.729) 6.122 10.854 ( 0.549 -6.133 2.489) 6.642 10.877 ( -0.603 -7.154 0.414) 7.191 20.319 ( 0.283 6.392 -2.089) 6.730 20.327 ( 0.008 6.327 -2.728) 6.890 20.724 ( -1.830 -5.269 -1.091) 5.684 20.740 ( -2.473 -5.592 -2.650) 6.664 21.699 ( 6.793 5.226 4.340) 9.607 21.763 ( 7.002 3.177 -1.547) 7.843 22.080 ( -12.035 6.767 5.024) 14.692 22.130 ( -10.715 5.013 0.249) 11.832 23.097 ( 14.398 -2.102 1.814) 14.663 23.151 ( 15.819 -4.767 -3.344) 16.856 23.617 ( -10.713 -2.312 3.437) 11.486 23.693 ( -10.715 -4.907 -3.730) 12.361 24.263 ( -0.275 -1.612 1.131) 1.989 24.285 ( -1.443 -1.834 -0.130) 2.337 24.310 ( -0.070 -1.628 -0.758) 1.797 24.330 ( -1.249 -2.200 -1.857) 3.138 24.671 ( 3.072 0.279 1.146) 3.291 24.693 ( 3.521 -0.346 -1.002) 3.677 24.724 ( 0.019 1.134 1.315) 1.737 24.750 ( 0.158 0.518 -1.258) 1.370 51.980 ( -0.012 4.097 -0.685) 4.154 51.994 ( -0.595 4.568 -2.192) 5.101 52.211 ( -1.290 0.241 -0.265) 1.339 52.237 ( -2.342 0.571 -2.825) 3.714 52.675 ( 5.431 2.635 3.812) 7.139 52.730 ( 4.784 1.532 -1.568) 5.263 53.052 ( -6.811 0.331 2.946) 7.428 53.083 ( -6.112 -0.731 -0.055) 6.155 53.773 ( 2.873 0.255 0.948) 3.037 53.795 ( 2.614 0.043 -1.223) 2.887 53.938 ( -0.178 -2.337 0.707) 2.448 53.957 ( -0.574 -2.301 -1.122) 2.624 54.686 ( 5.032 2.217 1.789) 5.783 54.727 ( 4.193 1.679 -2.202) 5.025 55.104 ( -3.166 -4.727 2.699) 6.297 55.155 ( -4.602 -5.530 -2.263) 7.542 ======================= Grid point 213 (76/80) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -2.425 10.331 8.638) 13.683 1.498 ( 2.425 10.331 8.638) 13.683 1.669 ( -3.644 8.734 -7.863) 12.304 1.669 ( 3.644 8.734 -7.863) 12.304 2.000 ( -2.670 1.976 5.502) 6.427 2.000 ( 2.670 1.976 5.502) 6.427 2.157 ( -1.698 0.133 4.127) 4.465 2.157 ( 1.698 0.133 4.127) 4.465 2.418 ( -3.889 -1.375 6.572) 7.759 2.418 ( 3.889 -1.375 6.572) 7.759 2.505 ( -6.670 -7.170 -0.503) 9.806 2.505 ( 6.670 -7.170 -0.503) 9.806 2.769 ( -1.001 -1.597 -5.457) 5.773 2.769 ( 1.001 -1.597 -5.457) 5.773 2.922 ( -0.637 -2.406 -2.485) 3.517 2.922 ( 0.637 -2.406 -2.485) 3.517 3.363 ( -3.677 1.540 4.736) 6.191 3.363 ( 3.677 1.540 4.736) 6.191 3.482 ( -2.858 -2.048 -5.260) 6.327 3.482 ( 2.858 -2.048 -5.260) 6.327 3.759 ( -5.137 2.001 1.210) 5.644 3.759 ( 5.137 2.001 1.210) 5.644 3.802 ( -4.614 -3.387 -1.427) 5.899 3.802 ( 4.614 -3.387 -1.427) 5.899 9.067 ( -2.517 -1.130 -1.709) 3.245 9.067 ( 2.517 -1.130 -1.709) 3.245 9.231 ( -2.326 -5.214 -1.414) 5.882 9.231 ( 2.326 -5.214 -1.414) 5.882 9.723 ( -1.175 11.667 -0.308) 11.730 9.723 ( 1.175 11.667 -0.308) 11.730 10.042 ( -1.390 4.349 0.556) 4.599 10.042 ( 1.390 4.349 0.556) 4.599 10.482 ( -1.298 6.099 -0.139) 6.237 10.482 ( 1.298 6.099 -0.139) 6.237 10.865 ( -0.627 -6.702 1.523) 6.901 10.865 ( 0.627 -6.702 1.523) 6.901 20.324 ( -0.249 6.632 -2.404) 7.059 20.324 ( 0.249 6.632 -2.404) 7.059 20.710 ( -0.442 -5.794 -1.805) 6.084 20.710 ( 0.442 -5.794 -1.805) 6.084 21.864 ( -10.248 6.293 4.875) 12.976 21.864 ( 10.248 6.293 4.875) 12.976 21.928 ( -10.018 4.100 -0.764) 10.851 21.928 ( 10.018 4.100 -0.764) 10.851 23.360 ( -9.901 -2.741 1.952) 10.457 23.360 ( 9.901 -2.741 1.952) 10.457 23.462 ( -10.419 -4.777 -2.848) 11.810 23.462 ( 10.419 -4.777 -2.848) 11.810 24.265 ( -0.570 -1.594 0.667) 1.819 24.265 ( 0.570 -1.594 0.667) 1.819 24.315 ( -0.475 -1.940 -1.603) 2.561 24.315 ( 0.475 -1.940 -1.603) 2.561 24.712 ( -1.303 0.876 1.294) 2.034 24.712 ( 1.303 0.876 1.294) 2.034 24.740 ( -1.393 0.105 -1.244) 1.871 24.740 ( 1.393 0.105 -1.244) 1.871 51.983 ( -0.418 4.435 -1.435) 4.680 51.983 ( 0.418 4.435 -1.435) 4.680 52.206 ( -0.766 -0.255 -1.618) 1.808 52.206 ( 0.766 -0.255 -1.618) 1.808 52.765 ( -2.486 3.733 2.041) 4.928 52.765 ( 2.486 3.733 2.041) 4.928 52.991 ( -1.878 -0.742 0.720) 2.143 52.991 ( 1.878 -0.742 0.720) 2.143 53.812 ( -0.856 0.586 0.098) 1.042 53.812 ( 0.856 0.586 0.098) 1.042 53.942 ( -0.708 -2.885 -0.468) 3.007 53.942 ( 0.708 -2.885 -0.468) 3.007 54.760 ( -1.560 3.115 -0.013) 3.484 54.760 ( 1.560 3.115 -0.013) 3.484 55.083 ( -1.818 -6.711 -0.052) 6.953 55.083 ( 1.818 -6.711 -0.052) 6.953 ======================= Grid point 217 (77/80) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 -1.297 3.053) 3.317 1.513 ( 0.000 -3.703 0.837) 3.797 1.641 ( 0.000 1.785 3.822) 4.218 1.653 ( 0.000 0.502 1.610) 1.686 1.942 ( 0.000 1.874 3.108) 3.629 1.985 ( 0.000 1.808 1.850) 2.586 2.006 ( 0.000 0.268 2.438) 2.452 2.052 ( 0.000 0.023 -0.149) 0.151 2.318 ( 0.000 7.500 1.346) 7.620 2.326 ( 0.000 8.403 0.262) 8.407 2.551 ( 0.000 -2.590 5.515) 6.093 2.610 ( 0.000 -6.599 0.656) 6.631 2.723 ( 0.000 1.778 4.628) 4.958 2.752 ( 0.000 -1.308 3.117) 3.380 2.870 ( 0.000 -2.401 -7.327) 7.710 2.877 ( 0.000 -3.423 -6.918) 7.718 3.230 ( 0.000 1.981 0.488) 2.041 3.299 ( 0.000 -3.981 -5.304) 6.632 3.488 ( 0.000 1.217 6.126) 6.246 3.509 ( 0.000 0.412 4.292) 4.311 3.663 ( 0.000 -1.681 -4.676) 4.969 3.663 ( 0.000 -2.488 -4.907) 5.502 4.129 ( 0.000 2.295 1.867) 2.959 4.139 ( 0.000 1.408 0.964) 1.707 8.152 ( 0.000 -1.526 -3.589) 3.900 8.157 ( 0.000 -2.045 -4.061) 4.547 9.610 ( 0.000 2.333 5.603) 6.069 9.613 ( 0.000 1.801 4.668) 5.003 9.757 ( 0.000 2.313 -5.249) 5.736 9.778 ( 0.000 0.856 -6.458) 6.515 10.433 ( 0.000 10.261 0.113) 10.261 10.434 ( 0.000 9.167 0.103) 9.168 10.624 ( 0.000 -7.233 2.302) 7.590 10.646 ( 0.000 -6.150 -0.041) 6.150 10.736 ( 0.000 -2.084 1.552) 2.598 10.754 ( 0.000 -1.812 -0.359) 1.848 20.412 ( 0.000 3.132 -2.944) 4.299 20.416 ( 0.000 2.780 -3.042) 4.121 20.716 ( 0.000 -2.222 -1.769) 2.840 20.725 ( 0.000 -3.092 -2.816) 4.182 21.654 ( 0.000 2.268 1.965) 3.000 21.674 ( 0.000 0.371 0.165) 0.407 22.463 ( 0.000 2.012 3.313) 3.876 22.485 ( 0.000 -0.130 1.244) 1.250 22.702 ( 0.000 1.987 1.459) 2.465 22.732 ( 0.000 -0.807 -1.514) 1.716 23.804 ( 0.000 -0.282 1.478) 1.504 23.828 ( 0.000 -2.544 -0.710) 2.641 24.257 ( 0.000 -0.067 -0.156) 0.170 24.268 ( 0.000 -1.072 -1.167) 1.585 24.356 ( 0.000 -0.255 0.366) 0.447 24.363 ( 0.000 -1.036 -0.377) 1.102 24.539 ( 0.000 -0.327 0.054) 0.332 24.540 ( 0.000 -0.452 -0.076) 0.458 24.735 ( 0.000 0.681 0.587) 0.899 24.743 ( 0.000 -0.079 -0.213) 0.228 52.058 ( 0.000 2.794 -0.487) 2.836 52.074 ( 0.000 1.550 -2.137) 2.639 52.327 ( 0.000 1.710 -0.996) 1.979 52.352 ( 0.000 -0.097 -3.415) 3.416 52.549 ( 0.000 -0.089 1.352) 1.354 52.555 ( 0.000 -0.384 0.835) 0.919 53.203 ( 0.000 -0.666 1.503) 1.644 53.215 ( 0.000 -1.792 0.322) 1.821 53.693 ( 0.000 0.360 0.904) 0.973 53.696 ( 0.000 0.037 0.584) 0.585 53.929 ( 0.000 -0.276 -0.209) 0.346 53.934 ( 0.000 -0.789 -0.702) 1.056 54.600 ( 0.000 1.322 0.920) 1.611 54.616 ( 0.000 -0.181 -0.640) 0.665 55.166 ( 0.000 -0.097 1.270) 1.274 55.191 ( 0.000 -2.464 -1.131) 2.712 ======================= Grid point 218 (78/80) ======================= q-point: ( 0.17 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 3.891 2.534 4.084) 6.184 1.578 ( 6.066 -1.318 -0.801) 6.259 1.694 ( 5.453 2.177 5.530) 8.065 1.737 ( 7.051 -1.724 0.890) 7.313 1.958 ( 1.227 3.189 2.727) 4.372 2.001 ( 1.747 0.806 0.269) 1.943 2.030 ( 2.459 0.517 4.066) 4.779 2.069 ( 1.907 1.157 0.445) 2.275 2.267 ( -3.801 5.584 2.136) 7.085 2.300 ( -2.583 3.980 -0.404) 4.762 2.511 ( -3.991 -2.889 6.159) 7.887 2.561 ( -4.084 -6.923 2.787) 8.508 2.764 ( 2.650 2.045 0.930) 3.474 2.798 ( 3.720 -0.847 1.561) 4.122 2.847 ( -1.409 -0.789 -6.249) 6.455 2.890 ( 0.062 -3.625 -6.386) 7.343 3.266 ( 3.895 0.442 -0.244) 3.927 3.298 ( 0.373 -2.389 -2.652) 3.589 3.487 ( 0.006 2.293 5.577) 6.030 3.539 ( 2.709 -1.023 3.269) 4.367 3.626 ( -3.397 -1.312 -5.085) 6.254 3.647 ( -1.345 -2.022 -4.626) 5.225 4.077 ( -5.271 1.857 1.606) 5.814 4.085 ( -5.501 1.190 0.944) 5.706 8.297 ( 14.584 -1.392 -3.315) 15.021 8.303 ( 14.616 -1.947 -3.822) 15.232 9.614 ( -1.772 1.446 5.516) 5.971 9.622 ( -1.660 0.634 5.245) 5.538 9.729 ( -0.581 3.453 -5.771) 6.750 9.752 ( -0.749 1.565 -6.687) 6.909 10.384 ( -5.590 8.053 0.325) 9.808 10.392 ( -5.304 7.090 -0.305) 8.860 10.596 ( -1.663 -2.877 2.037) 3.898 10.618 ( -1.904 -3.477 -0.147) 3.967 10.736 ( -0.165 -3.141 1.732) 3.590 10.751 ( -0.480 -3.338 0.246) 3.382 20.419 ( 0.734 3.479 -2.777) 4.512 20.424 ( 0.796 3.087 -3.076) 4.430 20.686 ( -2.900 -2.594 -1.815) 4.294 20.694 ( -2.933 -3.399 -2.814) 5.299 21.682 ( 3.168 2.355 2.121) 4.481 21.702 ( 3.212 0.412 0.293) 3.252 22.383 ( -8.029 2.593 3.015) 8.960 22.395 ( -8.127 1.694 1.925) 8.522 22.820 ( 10.821 -0.310 0.345) 10.831 22.832 ( 9.872 -1.215 -0.859) 9.983 23.748 ( -5.865 -0.261 1.498) 6.059 23.772 ( -5.820 -2.620 -0.763) 6.428 24.256 ( -0.134 0.103 -0.076) 0.185 24.269 ( 0.007 -1.045 -1.234) 1.617 24.320 ( -2.551 -0.190 0.135) 2.562 24.330 ( -2.433 -1.115 -0.776) 2.786 24.594 ( 4.474 -0.129 0.338) 4.488 24.598 ( 4.665 -0.495 -0.025) 4.691 24.738 ( 0.302 0.677 0.600) 0.954 24.747 ( 0.358 -0.141 -0.256) 0.462 52.059 ( 0.170 3.013 -0.563) 3.070 52.076 ( 0.225 1.806 -2.282) 2.919 52.271 ( -4.410 0.821 -0.737) 4.546 52.297 ( -4.465 -1.105 -3.241) 5.627 52.610 ( 5.697 1.459 2.038) 6.224 52.630 ( 6.106 -0.313 0.058) 6.115 53.163 ( -4.061 -0.749 1.328) 4.338 53.166 ( -4.826 -1.005 1.033) 5.037 53.722 ( 2.657 0.254 0.618) 2.740 53.727 ( 3.092 -0.140 0.203) 3.102 53.923 ( -0.650 -0.309 -0.025) 0.720 53.931 ( -0.434 -1.031 -0.775) 1.361 54.635 ( 3.688 1.428 0.946) 4.066 54.653 ( 3.805 -0.175 -0.742) 3.880 55.130 ( -3.637 -0.344 1.260) 3.864 55.155 ( -3.673 -2.653 -1.119) 4.667 ======================= Grid point 219 (79/80) ======================= q-point: ( 0.33 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 6.031 8.504 5.599) 11.833 1.713 ( 7.114 4.108 -2.667) 8.637 1.786 ( 2.135 4.995 6.621) 8.564 1.855 ( 3.402 -1.056 0.096) 3.564 1.982 ( 2.148 4.430 1.846) 5.258 2.034 ( 0.914 3.293 -1.866) 3.894 2.099 ( 4.839 1.735 6.367) 8.183 2.148 ( 6.713 -1.930 3.370) 7.756 2.201 ( -2.819 -2.207 2.932) 4.628 2.262 ( -0.721 -4.600 -1.526) 4.900 2.416 ( -5.630 -3.801 7.109) 9.833 2.465 ( -6.304 -7.347 3.349) 10.244 2.790 ( 0.337 2.125 -2.740) 3.484 2.819 ( -1.434 1.750 -5.826) 6.249 2.853 ( 1.288 -2.778 -1.102) 3.254 2.875 ( -1.177 -2.781 -3.951) 4.973 3.331 ( 3.157 1.311 1.400) 3.694 3.365 ( 5.626 -1.272 -2.272) 6.199 3.471 ( -2.147 2.575 2.720) 4.317 3.544 ( -4.149 -2.880 -3.263) 6.013 3.618 ( 5.361 1.052 0.693) 5.507 3.656 ( 3.496 -1.657 -2.486) 4.598 3.940 ( -8.785 0.944 1.181) 8.914 3.946 ( -8.634 0.448 0.700) 8.674 8.663 ( 22.556 -1.015 -2.642) 22.733 8.670 ( 22.590 -1.634 -3.215) 22.876 9.453 ( -14.312 -0.302 0.165) 14.316 9.460 ( -14.276 -0.900 -0.460) 14.311 9.810 ( 7.425 4.944 -0.522) 8.936 9.825 ( 7.162 3.714 -1.805) 8.267 10.221 ( -10.541 3.660 0.472) 11.168 10.232 ( -10.463 2.542 -0.471) 10.778 10.588 ( 0.502 3.336 1.516) 3.698 10.601 ( -0.115 2.684 0.278) 2.701 10.728 ( -0.555 -5.312 1.690) 5.602 10.736 ( -0.949 -5.295 0.937) 5.461 20.439 ( 1.326 4.706 -2.542) 5.510 20.444 ( 1.259 4.423 -3.014) 5.498 20.622 ( -3.286 -4.045 -1.955) 5.566 20.629 ( -3.457 -4.541 -2.752) 6.337 21.783 ( 7.565 2.656 2.503) 8.399 21.804 ( 7.615 0.603 0.580) 7.661 22.187 ( -11.791 3.244 3.119) 12.621 22.204 ( -11.453 1.622 1.551) 11.671 23.065 ( 14.344 -0.713 0.379) 14.367 23.078 ( 14.868 -2.090 -0.839) 15.038 23.586 ( -10.933 -0.371 1.371) 11.025 23.610 ( -11.027 -2.750 -0.887) 11.399 24.254 ( -0.036 0.469 -0.078) 0.477 24.267 ( -0.320 -0.368 -1.274) 1.365 24.283 ( -1.036 -0.703 -0.115) 1.258 24.294 ( -1.222 -1.327 -1.108) 2.117 24.675 ( 3.654 0.237 0.592) 3.709 24.683 ( 3.828 -0.494 -0.142) 3.862 24.741 ( -0.155 0.641 0.631) 0.913 24.751 ( -0.116 -0.280 -0.318) 0.439 52.066 ( 0.662 3.740 -0.866) 3.895 52.083 ( 0.399 3.054 -2.526) 3.983 52.194 ( -3.223 -1.125 -0.753) 3.496 52.215 ( -3.722 -2.275 -2.877) 5.226 52.736 ( 7.236 2.650 2.396) 8.069 52.759 ( 7.160 0.637 0.182) 7.190 53.048 ( -7.096 -0.244 2.011) 7.380 53.059 ( -6.529 -1.213 0.960) 6.710 53.784 ( 3.453 0.704 0.513) 3.561 53.795 ( 3.622 -0.216 -0.599) 3.678 53.902 ( -1.518 -0.725 0.253) 1.701 53.914 ( -1.436 -1.612 -0.825) 2.311 54.733 ( 6.319 2.039 0.949) 6.707 54.753 ( 6.346 0.406 -0.951) 6.430 55.035 ( -6.105 -1.416 1.220) 6.384 55.058 ( -6.278 -3.406 -1.035) 7.217 ======================= Grid point 220 (80/80) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -4.862 11.007 5.850) 13.380 1.734 ( 4.862 11.007 5.850) 13.379 1.840 ( -4.134 4.072 -1.928) 6.115 1.840 ( 4.134 4.072 -1.928) 6.115 2.034 ( -1.674 3.521 1.063) 4.041 2.034 ( 1.674 3.521 1.063) 4.041 2.159 ( -1.312 -1.897 3.930) 4.557 2.159 ( 1.312 -1.897 3.930) 4.557 2.292 ( -4.687 -7.492 4.444) 9.891 2.292 ( 4.687 -7.492 4.444) 9.891 2.328 ( -5.346 -6.574 2.844) 8.938 2.328 ( 5.346 -6.574 2.844) 8.938 2.797 ( -0.759 2.729 -4.353) 5.193 2.797 ( 0.759 2.729 -4.353) 5.193 2.861 ( -0.425 -3.305 -2.951) 4.451 2.861 ( 0.425 -3.305 -2.951) 4.451 3.401 ( -3.501 3.128 1.235) 4.855 3.401 ( 3.501 3.128 1.235) 4.855 3.467 ( -3.824 -2.013 -2.876) 5.191 3.467 ( 3.824 -2.013 -2.876) 5.191 3.754 ( -4.872 0.825 0.729) 4.995 3.754 ( 4.872 0.825 0.729) 4.995 3.785 ( -4.038 -1.053 0.109) 4.175 3.785 ( 4.038 -1.053 0.109) 4.175 9.074 ( -2.497 1.733 -2.053) 3.668 9.074 ( 2.497 1.733 -2.053) 3.668 9.134 ( -2.510 -3.970 -1.906) 5.069 9.134 ( 2.510 -3.970 -1.906) 5.069 9.945 ( -1.205 8.986 -0.132) 9.068 9.945 ( 1.205 8.986 -0.132) 9.068 10.066 ( -1.143 -2.333 -0.032) 2.598 10.066 ( 1.143 -2.333 -0.032) 2.598 10.599 ( -0.368 5.517 0.918) 5.605 10.599 ( 0.368 5.517 0.918) 5.605 10.723 ( -0.210 -6.638 1.389) 6.785 10.723 ( 0.210 -6.638 1.389) 6.785 20.459 ( -0.222 6.350 -2.676) 6.894 20.459 ( 0.222 6.350 -2.676) 6.894 20.587 ( -0.275 -6.082 -2.394) 6.542 20.587 ( 0.275 -6.082 -2.394) 6.542 21.963 ( -11.036 3.081 2.859) 11.809 21.963 ( 11.036 3.081 2.859) 11.809 21.984 ( -10.949 1.021 1.058) 11.047 21.984 ( 10.949 1.021 1.058) 11.047 23.332 ( -7.050 0.332 0.431) 7.070 23.332 ( 7.050 0.332 0.431) 7.070 23.374 ( -7.340 -3.442 -0.438) 8.119 23.374 ( 7.340 -3.442 -0.438) 8.119 24.257 ( -0.430 0.583 -0.431) 0.843 24.257 ( 0.430 0.583 -0.431) 0.843 24.280 ( -0.351 -1.475 -0.956) 1.793 24.280 ( 0.351 -1.475 -0.956) 1.793 24.726 ( -1.642 0.514 0.674) 1.848 24.726 ( 1.642 0.514 0.674) 1.848 24.735 ( -1.692 -0.415 -0.301) 1.768 24.735 ( 1.692 -0.415 -0.301) 1.768 52.082 ( -0.697 4.793 -1.765) 5.155 52.082 ( 0.697 4.793 -1.765) 5.155 52.168 ( -0.839 -3.273 -1.818) 3.837 52.168 ( 0.839 -3.273 -1.818) 3.837 52.857 ( -1.952 4.795 1.701) 5.449 52.857 ( 1.952 4.795 1.701) 5.449 52.946 ( -1.650 -3.457 1.305) 4.047 52.946 ( 1.650 -3.457 1.305) 4.047 53.836 ( -0.924 1.716 -0.124) 1.953 53.836 ( 0.924 1.716 -0.124) 1.953 53.882 ( -0.899 -2.724 -0.310) 2.886 53.882 ( 0.899 -2.724 -0.310) 2.886 54.840 ( -1.617 4.647 0.011) 4.920 54.840 ( 1.617 4.647 0.011) 4.920 54.951 ( -1.715 -5.989 0.036) 6.230 54.951 ( 1.715 -5.989 0.036) 6.230 =================== 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 3/27216 10.0 132.650 99.762 103.664 0.000 0.000 -0.000 3/27216 20.0 26.330 23.056 21.240 0.000 0.000 -0.000 3/27216 30.0 11.596 11.000 9.636 0.000 0.000 -0.000 3/27216 40.0 7.145 7.085 6.038 0.000 0.000 0.000 3/27216 50.0 5.184 5.268 4.418 0.000 0.000 0.000 3/27216 60.0 4.102 4.224 3.506 0.000 0.000 0.000 3/27216 70.0 3.416 3.541 2.917 0.000 0.000 0.000 3/27216 80.0 2.939 3.055 2.502 0.000 0.000 0.000 3/27216 90.0 2.587 2.690 2.193 0.000 0.000 0.000 3/27216 100.0 2.315 2.405 1.952 0.000 0.000 0.000 3/27216 110.0 2.099 2.175 1.760 0.000 0.000 0.000 3/27216 120.0 1.921 1.987 1.603 0.000 0.000 0.000 3/27216 130.0 1.773 1.829 1.472 0.000 0.000 0.000 3/27216 140.0 1.648 1.696 1.361 0.000 0.000 0.000 3/27216 150.0 1.540 1.581 1.266 0.000 0.000 0.000 3/27216 160.0 1.446 1.481 1.184 0.000 0.000 0.000 3/27216 170.0 1.364 1.393 1.112 0.000 0.000 0.000 3/27216 180.0 1.292 1.316 1.049 0.000 0.000 0.000 3/27216 190.0 1.227 1.247 0.993 0.000 0.000 0.000 3/27216 200.0 1.170 1.185 0.943 0.000 0.000 0.000 3/27216 210.0 1.117 1.129 0.898 0.000 0.000 0.000 3/27216 220.0 1.070 1.079 0.857 0.000 0.000 0.000 3/27216 230.0 1.027 1.033 0.820 0.000 0.000 0.000 3/27216 240.0 0.988 0.991 0.786 0.000 0.000 0.000 3/27216 250.0 0.951 0.952 0.755 0.000 0.000 0.000 3/27216 260.0 0.918 0.916 0.726 0.000 0.000 0.000 3/27216 270.0 0.887 0.883 0.699 0.000 0.000 0.000 3/27216 280.0 0.858 0.853 0.675 0.000 0.000 0.000 3/27216 290.0 0.831 0.824 0.652 0.000 0.000 0.000 3/27216 300.0 0.806 0.798 0.631 0.000 0.000 0.000 3/27216 310.0 0.783 0.773 0.611 0.000 0.000 0.000 3/27216 320.0 0.761 0.750 0.592 0.000 0.000 0.000 3/27216 330.0 0.740 0.728 0.575 0.000 0.000 0.000 3/27216 340.0 0.720 0.708 0.559 0.000 0.000 0.000 3/27216 350.0 0.702 0.688 0.543 0.000 0.000 0.000 3/27216 360.0 0.684 0.670 0.528 0.000 0.000 0.000 3/27216 370.0 0.667 0.652 0.515 0.000 0.000 0.000 3/27216 380.0 0.651 0.636 0.502 0.000 0.000 0.000 3/27216 390.0 0.636 0.620 0.489 0.000 0.000 0.000 3/27216 400.0 0.622 0.606 0.477 0.000 0.000 0.000 3/27216 410.0 0.608 0.591 0.466 0.000 0.000 0.000 3/27216 420.0 0.595 0.578 0.455 0.000 0.000 0.000 3/27216 430.0 0.583 0.565 0.445 0.000 0.000 0.000 3/27216 440.0 0.571 0.553 0.435 0.000 0.000 0.000 3/27216 450.0 0.559 0.541 0.426 0.000 0.000 0.000 3/27216 460.0 0.548 0.530 0.417 0.000 0.000 0.000 3/27216 470.0 0.538 0.519 0.409 0.000 0.000 0.000 3/27216 480.0 0.528 0.509 0.400 0.000 0.000 0.000 3/27216 490.0 0.518 0.499 0.392 0.000 0.000 0.000 3/27216 500.0 0.508 0.489 0.385 0.000 0.000 0.000 3/27216 510.0 0.499 0.480 0.378 0.000 0.000 0.000 3/27216 520.0 0.491 0.471 0.371 0.000 0.000 0.000 3/27216 530.0 0.482 0.463 0.364 0.000 0.000 0.000 3/27216 540.0 0.474 0.455 0.357 0.000 0.000 0.000 3/27216 550.0 0.466 0.447 0.351 0.000 0.000 0.000 3/27216 560.0 0.459 0.439 0.345 0.000 0.000 0.000 3/27216 570.0 0.451 0.432 0.339 0.000 0.000 0.000 3/27216 580.0 0.444 0.425 0.334 0.000 0.000 0.000 3/27216 590.0 0.437 0.418 0.328 0.000 0.000 0.000 3/27216 600.0 0.431 0.411 0.323 0.000 0.000 0.000 3/27216 610.0 0.424 0.405 0.318 0.000 0.000 0.000 3/27216 620.0 0.418 0.399 0.313 0.000 0.000 0.000 3/27216 630.0 0.412 0.393 0.308 0.000 0.000 0.000 3/27216 640.0 0.406 0.387 0.304 0.000 0.000 0.000 3/27216 650.0 0.400 0.381 0.299 0.000 0.000 0.000 3/27216 660.0 0.395 0.376 0.295 0.000 0.000 0.000 3/27216 670.0 0.389 0.370 0.291 0.000 0.000 0.000 3/27216 680.0 0.384 0.365 0.286 0.000 0.000 0.000 3/27216 690.0 0.379 0.360 0.282 0.000 0.000 0.000 3/27216 700.0 0.374 0.355 0.279 0.000 0.000 0.000 3/27216 710.0 0.369 0.350 0.275 0.000 0.000 0.000 3/27216 720.0 0.365 0.346 0.271 0.000 0.000 0.000 3/27216 730.0 0.360 0.341 0.267 0.000 0.000 0.000 3/27216 740.0 0.355 0.337 0.264 0.000 0.000 0.000 3/27216 750.0 0.351 0.332 0.261 0.000 0.000 0.000 3/27216 760.0 0.347 0.328 0.257 0.000 0.000 0.000 3/27216 770.0 0.343 0.324 0.254 0.000 0.000 0.000 3/27216 780.0 0.339 0.320 0.251 0.000 0.000 0.000 3/27216 790.0 0.335 0.316 0.248 0.000 0.000 0.000 3/27216 800.0 0.331 0.312 0.245 0.000 0.000 0.000 3/27216 810.0 0.327 0.309 0.242 0.000 0.000 0.000 3/27216 820.0 0.323 0.305 0.239 0.000 0.000 0.000 3/27216 830.0 0.320 0.302 0.236 0.000 0.000 0.000 3/27216 840.0 0.316 0.298 0.234 0.000 0.000 0.000 3/27216 850.0 0.313 0.295 0.231 0.000 0.000 0.000 3/27216 860.0 0.309 0.292 0.228 0.000 0.000 0.000 3/27216 870.0 0.306 0.288 0.226 0.000 0.000 0.000 3/27216 880.0 0.303 0.285 0.223 0.000 0.000 0.000 3/27216 890.0 0.300 0.282 0.221 0.000 0.000 0.000 3/27216 900.0 0.297 0.279 0.219 0.000 0.000 0.000 3/27216 910.0 0.294 0.276 0.216 0.000 0.000 0.000 3/27216 920.0 0.291 0.273 0.214 0.000 0.000 0.000 3/27216 930.0 0.288 0.270 0.212 0.000 0.000 0.000 3/27216 940.0 0.285 0.268 0.210 0.000 0.000 0.000 3/27216 950.0 0.282 0.265 0.207 0.000 0.000 0.000 3/27216 960.0 0.279 0.262 0.205 0.000 0.000 0.000 3/27216 970.0 0.277 0.260 0.203 0.000 0.000 0.000 3/27216 980.0 0.274 0.257 0.201 0.000 0.000 0.000 3/27216 990.0 0.271 0.255 0.199 0.000 0.000 0.000 3/27216 1000.0 0.269 0.252 0.197 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m697.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:58:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|