----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:46:48]------------------------- 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 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.100150215000000 3.100150215000000 6.827080380000000 b 3.100150215000000 -3.100150215000000 6.827080380000000 c 3.100150215000000 3.100150215000000 -6.827080380000000 Atomic positions (fractional): *1 H 0.14339278233177 0.13803603027298 0.19447452069493 1.008 2 H 0.69891826163683 0.39339278233177 0.50535675205879 1.008 3 H 0.88803603027298 0.19356150957804 0.49464324794121 1.008 4 H 0.94356150957804 0.94891826163683 0.80552547930507 1.008 5 H 0.60660721766823 0.11196396972702 0.30552547930507 1.008 6 H 0.05108173836317 0.85660721766823 0.99464324794121 1.008 7 H 0.86196396972702 0.05643849042196 0.00535675205879 1.008 8 H 0.80643849042196 0.30108173836317 0.69447452069493 1.008 *9 H 0.68742841778924 0.70262674787233 0.26637602054773 1.008 10 H 0.17105239724151 0.93742841778924 0.48480166991691 1.008 11 H 0.45262674787233 0.68625072732460 0.51519833008309 1.008 12 H 0.43625072732460 0.42105239724151 0.73362397945227 1.008 13 H 0.31374927267540 0.82894760275849 0.76637602054773 1.008 14 H 0.29737325212767 0.56374927267540 0.98480166991691 1.008 15 H 0.57894760275849 0.31257158221076 0.01519833008309 1.008 16 H 0.06257158221076 0.54737325212767 0.23362397945227 1.008 *17 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 18 N 0.75000000000000 0.25000000000000 0.50000000000000 14.007 *19 F 0.81512227802105 0.84301946905354 0.45097684173418 18.998 20 F 0.11414543628687 0.06512227802105 0.47210280896751 18.998 21 F 0.59301946905354 0.64204262731936 0.52789719103249 18.998 22 F 0.39204262731936 0.36414543628687 0.54902315826582 18.998 23 F 0.93487772197895 0.40698053094646 0.04902315826582 18.998 24 F 0.63585456371313 0.18487772197895 0.02789719103249 18.998 25 F 0.15698053094646 0.60795737268064 0.97210280896751 18.998 26 F 0.35795737268064 0.88585456371313 0.95097684173418 18.998 *27 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 28 F 0.25000000000000 0.75000000000000 0.50000000000000 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.200300430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.200300430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.654160760000000 Atomic positions (fractional): *1 H 0.09455888431807 0.09991563637686 0.04347714595490 1.008 > 1 2 H 0.09991563637686 0.40544111568193 0.29347714595490 1.008 > 2 3 H 0.90008436362314 0.59455888431807 0.29347714595490 1.008 > 3 4 H 0.90544111568193 0.90008436362314 0.04347714595490 1.008 > 4 5 H 0.90544111568193 0.40008436362314 0.20652285404510 1.008 > 5 6 H 0.40008436362314 0.59455888431807 0.45652285404510 1.008 > 6 7 H 0.59991563637686 0.40544111568193 0.45652285404510 1.008 > 7 8 H 0.09455888431807 0.59991563637686 0.20652285404510 1.008 > 8 *9 H 0.64078717531541 0.62558884523232 0.06183957255692 1.008 > 9 10 H 0.62558884523232 0.85921282468459 0.31183957255692 1.008 > 10 11 H 0.37441115476768 0.14078717531541 0.31183957255692 1.008 > 11 12 H 0.35921282468459 0.37441115476768 0.06183957255692 1.008 > 12 13 H 0.64078717531541 0.12558884523232 0.18816042744308 1.008 > 13 14 H 0.12558884523232 0.85921282468459 0.43816042744308 1.008 > 14 15 H 0.87441115476768 0.14078717531541 0.43816042744308 1.008 > 15 16 H 0.35921282468459 0.87441115476768 0.18816042744308 1.008 > 16 17 H 0.59455888431807 0.59991563637686 0.54347714595490 1.008 > 1 18 H 0.59991563637686 0.90544111568193 0.79347714595490 1.008 > 2 19 H 0.40008436362314 0.09455888431807 0.79347714595490 1.008 > 3 20 H 0.40544111568193 0.40008436362314 0.54347714595490 1.008 > 4 21 H 0.40544111568193 0.90008436362314 0.70652285404510 1.008 > 5 22 H 0.90008436362314 0.09455888431807 0.95652285404510 1.008 > 6 23 H 0.09991563637686 0.90544111568193 0.95652285404510 1.008 > 7 24 H 0.59455888431807 0.09991563637686 0.70652285404510 1.008 > 8 25 H 0.14078717531541 0.12558884523232 0.56183957255692 1.008 > 9 26 H 0.12558884523232 0.35921282468459 0.81183957255692 1.008 > 10 27 H 0.87441115476768 0.64078717531541 0.81183957255692 1.008 > 11 28 H 0.85921282468459 0.87441115476768 0.56183957255692 1.008 > 12 29 H 0.14078717531541 0.62558884523232 0.68816042744308 1.008 > 13 30 H 0.62558884523232 0.35921282468459 0.93816042744308 1.008 > 14 31 H 0.37441115476768 0.64078717531541 0.93816042744308 1.008 > 15 32 H 0.85921282468459 0.37441115476768 0.68816042744308 1.008 > 16 *33 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 17 34 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 18 35 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 > 17 36 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 18 *37 F 0.73943701638333 0.71153982535085 0.10358245267020 18.998 > 19 38 F 0.71153982535085 0.76056298361667 0.35358245267020 18.998 > 20 39 F 0.28846017464916 0.23943701638333 0.35358245267020 18.998 > 21 40 F 0.26056298361667 0.28846017464916 0.10358245267020 18.998 > 22 41 F 0.26056298361667 0.78846017464915 0.14641754732980 18.998 > 23 42 F 0.78846017464915 0.23943701638333 0.39641754732980 18.998 > 24 43 F 0.21153982535085 0.76056298361667 0.39641754732980 18.998 > 25 44 F 0.73943701638333 0.21153982535085 0.14641754732980 18.998 > 26 *45 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 > 27 46 F 0.50000000000000 0.00000000000000 0.25000000000000 18.998 > 28 47 F 0.23943701638333 0.21153982535085 0.60358245267020 18.998 > 19 48 F 0.21153982535085 0.26056298361667 0.85358245267020 18.998 > 20 49 F 0.78846017464915 0.73943701638333 0.85358245267020 18.998 > 21 50 F 0.76056298361667 0.78846017464915 0.60358245267020 18.998 > 22 51 F 0.76056298361667 0.28846017464916 0.64641754732980 18.998 > 23 52 F 0.28846017464916 0.73943701638333 0.89641754732980 18.998 > 24 53 F 0.71153982535085 0.26056298361667 0.89641754732980 18.998 > 25 54 F 0.23943701638333 0.71153982535085 0.64641754732980 18.998 > 26 55 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 27 56 F 0.00000000000000 0.50000000000000 0.75000000000000 18.998 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.200300430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.200300430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.654160760000000 Atomic positions (fractional): *1 H 0.09455888431807 0.09991563637686 0.04347714595490 1.008 > 1 2 H 0.09991563637686 0.40544111568193 0.29347714595490 1.008 > 2 3 H 0.90008436362314 0.59455888431807 0.29347714595490 1.008 > 3 4 H 0.90544111568193 0.90008436362314 0.04347714595490 1.008 > 4 5 H 0.90544111568193 0.40008436362314 0.20652285404510 1.008 > 5 6 H 0.40008436362314 0.59455888431807 0.45652285404510 1.008 > 6 7 H 0.59991563637686 0.40544111568193 0.45652285404510 1.008 > 7 8 H 0.09455888431807 0.59991563637686 0.20652285404510 1.008 > 8 *9 H 0.64078717531541 0.62558884523232 0.06183957255692 1.008 > 9 10 H 0.62558884523232 0.85921282468459 0.31183957255692 1.008 > 10 11 H 0.37441115476768 0.14078717531541 0.31183957255692 1.008 > 11 12 H 0.35921282468459 0.37441115476768 0.06183957255692 1.008 > 12 13 H 0.64078717531541 0.12558884523232 0.18816042744308 1.008 > 13 14 H 0.12558884523232 0.85921282468459 0.43816042744308 1.008 > 14 15 H 0.87441115476768 0.14078717531541 0.43816042744308 1.008 > 15 16 H 0.35921282468459 0.87441115476768 0.18816042744308 1.008 > 16 17 H 0.59455888431807 0.59991563637686 0.54347714595490 1.008 > 1 18 H 0.59991563637686 0.90544111568193 0.79347714595490 1.008 > 2 19 H 0.40008436362314 0.09455888431807 0.79347714595490 1.008 > 3 20 H 0.40544111568193 0.40008436362314 0.54347714595490 1.008 > 4 21 H 0.40544111568193 0.90008436362314 0.70652285404510 1.008 > 5 22 H 0.90008436362314 0.09455888431807 0.95652285404510 1.008 > 6 23 H 0.09991563637686 0.90544111568193 0.95652285404510 1.008 > 7 24 H 0.59455888431807 0.09991563637686 0.70652285404510 1.008 > 8 25 H 0.14078717531541 0.12558884523232 0.56183957255692 1.008 > 9 26 H 0.12558884523232 0.35921282468459 0.81183957255692 1.008 > 10 27 H 0.87441115476768 0.64078717531541 0.81183957255692 1.008 > 11 28 H 0.85921282468459 0.87441115476768 0.56183957255692 1.008 > 12 29 H 0.14078717531541 0.62558884523232 0.68816042744308 1.008 > 13 30 H 0.62558884523232 0.35921282468459 0.93816042744308 1.008 > 14 31 H 0.37441115476768 0.64078717531541 0.93816042744308 1.008 > 15 32 H 0.85921282468459 0.37441115476768 0.68816042744308 1.008 > 16 *33 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 17 34 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 18 35 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 > 17 36 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 18 *37 F 0.73943701638333 0.71153982535085 0.10358245267020 18.998 > 19 38 F 0.71153982535085 0.76056298361667 0.35358245267020 18.998 > 20 39 F 0.28846017464916 0.23943701638333 0.35358245267020 18.998 > 21 40 F 0.26056298361667 0.28846017464916 0.10358245267020 18.998 > 22 41 F 0.26056298361667 0.78846017464915 0.14641754732980 18.998 > 23 42 F 0.78846017464915 0.23943701638333 0.39641754732980 18.998 > 24 43 F 0.21153982535085 0.76056298361667 0.39641754732980 18.998 > 25 44 F 0.73943701638333 0.21153982535085 0.14641754732980 18.998 > 26 *45 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 > 27 46 F 0.50000000000000 0.00000000000000 0.25000000000000 18.998 > 28 47 F 0.23943701638333 0.21153982535085 0.60358245267020 18.998 > 19 48 F 0.21153982535085 0.26056298361667 0.85358245267020 18.998 > 20 49 F 0.78846017464915 0.73943701638333 0.85358245267020 18.998 > 21 50 F 0.76056298361667 0.78846017464915 0.60358245267020 18.998 > 22 51 F 0.76056298361667 0.28846017464916 0.64641754732980 18.998 > 23 52 F 0.28846017464916 0.73943701638333 0.89641754732980 18.998 > 24 53 F 0.71153982535085 0.26056298361667 0.89641754732980 18.998 > 25 54 F 0.23943701638333 0.71153982535085 0.64641754732980 18.998 > 26 55 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 27 56 F 0.00000000000000 0.50000000000000 0.75000000000000 18.998 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.7789734 -0.0000001 0.0000000 0.0000001 1.7789734 0.0000000 0.0000000 0.0000000 1.7455434 -------------------------- Born effective charges -------------------------- 1 H 0.4841316 0.2376345 0.1893094 0.2381547 0.5250008 0.1918241 0.1609915 0.1574549 0.3996762 2 H 0.5250008 -0.2381547 0.1918241 -0.2376345 0.4841316 -0.1893094 0.1574549 -0.1609915 0.3996762 3 H 0.5250008 -0.2381547 -0.1918241 -0.2376345 0.4841316 0.1893094 -0.1574549 0.1609915 0.3996762 4 H 0.4841316 0.2376345 -0.1893094 0.2381547 0.5250008 -0.1918241 -0.1609915 -0.1574549 0.3996762 5 H 0.4841316 0.2376345 0.1893094 0.2381547 0.5250008 0.1918241 0.1609915 0.1574549 0.3996762 6 H 0.5250008 -0.2381547 0.1918241 -0.2376345 0.4841316 -0.1893094 0.1574549 -0.1609915 0.3996762 7 H 0.5250008 -0.2381547 -0.1918241 -0.2376345 0.4841316 0.1893094 -0.1574549 0.1609915 0.3996762 8 H 0.4841316 0.2376345 -0.1893094 0.2381547 0.5250008 -0.1918241 -0.1609915 -0.1574549 0.3996762 9 H 0.8219924 0.3935825 0.4294152 0.3964717 0.7234964 0.3931136 0.3783058 0.3454058 0.7308074 10 H 0.7234964 -0.3964717 0.3931136 -0.3935825 0.8219924 -0.4294152 0.3454058 -0.3783058 0.7308074 11 H 0.7234964 -0.3964717 -0.3931136 -0.3935825 0.8219924 0.4294152 -0.3454058 0.3783058 0.7308074 12 H 0.8219924 0.3935825 -0.4294152 0.3964717 0.7234964 -0.3931136 -0.3783058 -0.3454058 0.7308074 13 H 0.8219924 0.3935825 -0.4294152 0.3964717 0.7234964 -0.3931136 -0.3783058 -0.3454058 0.7308074 14 H 0.7234964 -0.3964717 -0.3931136 -0.3935825 0.8219924 0.4294152 -0.3454058 0.3783058 0.7308074 15 H 0.7234964 -0.3964717 0.3931136 -0.3935825 0.8219924 -0.4294152 0.3454058 -0.3783058 0.7308074 16 H 0.8219924 0.3935825 0.4294152 0.3964717 0.7234964 0.3931136 0.3783058 0.3454058 0.7308074 17 N -0.6473351 0.0029879 -0.0000000 -0.0029879 -0.6473351 0.0000000 -0.0000000 0.0000000 -0.5062636 18 N -0.6473351 0.0029879 -0.0000000 -0.0029879 -0.6473351 0.0000000 -0.0000000 0.0000000 -0.5062636 19 F -0.8396899 -0.3143314 -0.1421982 -0.3164730 -0.8119317 -0.0975475 -0.1180760 -0.0700655 -0.7226358 20 F -0.8119317 0.3164730 -0.0975475 0.3143314 -0.8396899 0.1421982 -0.0700655 0.1180760 -0.7226358 21 F -0.8119317 0.3164730 0.0975475 0.3143314 -0.8396899 -0.1421982 0.0700655 -0.1180760 -0.7226358 22 F -0.8396899 -0.3143314 0.1421982 -0.3164730 -0.8119317 0.0975475 0.1180760 0.0700655 -0.7226358 23 F -0.8396899 -0.3143314 -0.1421982 -0.3164730 -0.8119317 -0.0975475 -0.1180760 -0.0700655 -0.7226358 24 F -0.8119317 0.3164730 -0.0975475 0.3143314 -0.8396899 0.1421982 -0.0700655 0.1180760 -0.7226358 25 F -0.8119317 0.3164730 0.0975475 0.3143314 -0.8396899 -0.1421982 0.0700655 -0.1180760 -0.7226358 26 F -0.8396899 -0.3143314 0.1421982 -0.3164730 -0.8119317 0.0975475 0.1180760 0.0700655 -0.7226358 27 F -1.1586642 -0.0004523 -0.0000000 0.0004523 -1.1586642 0.0000000 -0.0000000 0.0000000 -1.1251275 28 F -1.1586642 -0.0004523 -0.0000000 0.0004523 -1.1586642 0.0000000 -0.0000000 0.0000000 -1.1251275 ---------------------------------------------------------------------------- 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: 168/168 Permutation basis: 8634/8634 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 927 Number of blocks in projector: 927 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 228 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 198 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 117 Use standard eigh solver. Tree of FC basis block matrices: - (927, 895), data: False |-- (117, 112), data: True |-- (198, 191), data: True |-- (228, 220), data: True |-- (384, 372), data: True ----- Solver_atoms: 1 -- 56 / 56 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 480 - Time: 0.493 Solver_block: 200 / 480 - Time: 0.496 Solver_block: 300 / 480 - Time: 0.497 Solver_block: 400 / 480 - Time: 0.497 Solver_block: 480 / 480 - Time: 0.422 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.422 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 168/168 Permutation basis: 8634/8634 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 927 Number of blocks in projector: 927 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 228 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 198 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 117 Use standard eigh solver. Tree of FC basis block matrices: - (927, 895), data: False |-- (117, 112), data: True |-- (198, 191), data: True |-- (228, 220), data: True |-- (384, 372), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:47:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:47:02]------------------------- 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 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.100150215000000 3.100150215000000 6.827080380000000 b 3.100150215000000 -3.100150215000000 6.827080380000000 c 3.100150215000000 3.100150215000000 -6.827080380000000 Atomic positions (fractional): 1 H 0.14339278233177 0.13803603027298 0.19447452069493 1.008 2 H 0.69891826163683 0.39339278233177 0.50535675205879 1.008 3 H 0.88803603027298 0.19356150957804 0.49464324794121 1.008 4 H 0.94356150957804 0.94891826163683 0.80552547930507 1.008 5 H 0.60660721766823 0.11196396972702 0.30552547930507 1.008 6 H 0.05108173836317 0.85660721766823 0.99464324794121 1.008 7 H 0.86196396972702 0.05643849042196 0.00535675205879 1.008 8 H 0.80643849042196 0.30108173836317 0.69447452069493 1.008 9 H 0.68742841778924 0.70262674787233 0.26637602054773 1.008 10 H 0.17105239724151 0.93742841778924 0.48480166991691 1.008 11 H 0.45262674787233 0.68625072732460 0.51519833008309 1.008 12 H 0.43625072732460 0.42105239724151 0.73362397945227 1.008 13 H 0.31374927267540 0.82894760275849 0.76637602054773 1.008 14 H 0.29737325212767 0.56374927267540 0.98480166991691 1.008 15 H 0.57894760275849 0.31257158221076 0.01519833008309 1.008 16 H 0.06257158221076 0.54737325212767 0.23362397945227 1.008 17 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 18 N 0.75000000000000 0.25000000000000 0.50000000000000 14.007 19 F 0.81512227802105 0.84301946905354 0.45097684173418 18.998 20 F 0.11414543628687 0.06512227802105 0.47210280896751 18.998 21 F 0.59301946905354 0.64204262731936 0.52789719103249 18.998 22 F 0.39204262731936 0.36414543628687 0.54902315826582 18.998 23 F 0.93487772197895 0.40698053094646 0.04902315826582 18.998 24 F 0.63585456371313 0.18487772197895 0.02789719103249 18.998 25 F 0.15698053094646 0.60795737268064 0.97210280896751 18.998 26 F 0.35795737268064 0.88585456371313 0.95097684173418 18.998 27 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 28 F 0.25000000000000 0.75000000000000 0.50000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.200300430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.200300430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.654160760000000 Atomic positions (fractional): 1 H 0.09455888431807 0.09991563637686 0.04347714595490 1.008 > 1 2 H 0.09991563637686 0.40544111568193 0.29347714595490 1.008 > 2 3 H 0.90008436362314 0.59455888431807 0.29347714595490 1.008 > 3 4 H 0.90544111568193 0.90008436362314 0.04347714595490 1.008 > 4 5 H 0.90544111568193 0.40008436362314 0.20652285404510 1.008 > 5 6 H 0.40008436362314 0.59455888431807 0.45652285404510 1.008 > 6 7 H 0.59991563637686 0.40544111568193 0.45652285404510 1.008 > 7 8 H 0.09455888431807 0.59991563637686 0.20652285404510 1.008 > 8 9 H 0.64078717531541 0.62558884523232 0.06183957255692 1.008 > 9 10 H 0.62558884523232 0.85921282468459 0.31183957255692 1.008 > 10 11 H 0.37441115476768 0.14078717531541 0.31183957255692 1.008 > 11 12 H 0.35921282468459 0.37441115476768 0.06183957255692 1.008 > 12 13 H 0.64078717531541 0.12558884523232 0.18816042744308 1.008 > 13 14 H 0.12558884523232 0.85921282468459 0.43816042744308 1.008 > 14 15 H 0.87441115476768 0.14078717531541 0.43816042744308 1.008 > 15 16 H 0.35921282468459 0.87441115476768 0.18816042744308 1.008 > 16 17 H 0.59455888431807 0.59991563637686 0.54347714595490 1.008 > 1 18 H 0.59991563637686 0.90544111568193 0.79347714595490 1.008 > 2 19 H 0.40008436362314 0.09455888431807 0.79347714595490 1.008 > 3 20 H 0.40544111568193 0.40008436362314 0.54347714595490 1.008 > 4 21 H 0.40544111568193 0.90008436362314 0.70652285404510 1.008 > 5 22 H 0.90008436362314 0.09455888431807 0.95652285404510 1.008 > 6 23 H 0.09991563637686 0.90544111568193 0.95652285404510 1.008 > 7 24 H 0.59455888431807 0.09991563637686 0.70652285404510 1.008 > 8 25 H 0.14078717531541 0.12558884523232 0.56183957255692 1.008 > 9 26 H 0.12558884523232 0.35921282468459 0.81183957255692 1.008 > 10 27 H 0.87441115476768 0.64078717531541 0.81183957255692 1.008 > 11 28 H 0.85921282468459 0.87441115476768 0.56183957255692 1.008 > 12 29 H 0.14078717531541 0.62558884523232 0.68816042744308 1.008 > 13 30 H 0.62558884523232 0.35921282468459 0.93816042744308 1.008 > 14 31 H 0.37441115476768 0.64078717531541 0.93816042744308 1.008 > 15 32 H 0.85921282468459 0.37441115476768 0.68816042744308 1.008 > 16 33 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 33 34 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 34 35 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 > 33 36 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 34 37 F 0.73943701638333 0.71153982535085 0.10358245267020 18.998 > 37 38 F 0.71153982535085 0.76056298361667 0.35358245267020 18.998 > 38 39 F 0.28846017464916 0.23943701638333 0.35358245267020 18.998 > 39 40 F 0.26056298361667 0.28846017464916 0.10358245267020 18.998 > 40 41 F 0.26056298361667 0.78846017464915 0.14641754732980 18.998 > 41 42 F 0.78846017464915 0.23943701638333 0.39641754732980 18.998 > 42 43 F 0.21153982535085 0.76056298361667 0.39641754732980 18.998 > 43 44 F 0.73943701638333 0.21153982535085 0.14641754732980 18.998 > 44 45 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 > 45 46 F 0.50000000000000 0.00000000000000 0.25000000000000 18.998 > 46 47 F 0.23943701638333 0.21153982535085 0.60358245267020 18.998 > 37 48 F 0.21153982535085 0.26056298361667 0.85358245267020 18.998 > 38 49 F 0.78846017464915 0.73943701638333 0.85358245267020 18.998 > 39 50 F 0.76056298361667 0.78846017464915 0.60358245267020 18.998 > 40 51 F 0.76056298361667 0.28846017464916 0.64641754732980 18.998 > 41 52 F 0.28846017464916 0.73943701638333 0.89641754732980 18.998 > 42 53 F 0.71153982535085 0.26056298361667 0.89641754732980 18.998 > 43 54 F 0.23943701638333 0.71153982535085 0.64641754732980 18.998 > 44 55 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 45 56 F 0.00000000000000 0.50000000000000 0.75000000000000 18.998 > 46 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.7789734 -0.0000001 0.0000000 0.0000001 1.7789734 0.0000000 0.0000000 0.0000000 1.7455434 -------------------------- Born effective charges -------------------------- 1 H 0.4841316 0.2376345 0.1893094 0.2381547 0.5250008 0.1918241 0.1609915 0.1574549 0.3996762 2 H 0.5250008 -0.2381547 0.1918241 -0.2376345 0.4841316 -0.1893094 0.1574549 -0.1609915 0.3996762 3 H 0.5250008 -0.2381547 -0.1918241 -0.2376345 0.4841316 0.1893094 -0.1574549 0.1609915 0.3996762 4 H 0.4841316 0.2376345 -0.1893094 0.2381547 0.5250008 -0.1918241 -0.1609915 -0.1574549 0.3996762 5 H 0.4841316 0.2376345 0.1893094 0.2381547 0.5250008 0.1918241 0.1609915 0.1574549 0.3996762 6 H 0.5250008 -0.2381547 0.1918241 -0.2376345 0.4841316 -0.1893094 0.1574549 -0.1609915 0.3996762 7 H 0.5250008 -0.2381547 -0.1918241 -0.2376345 0.4841316 0.1893094 -0.1574549 0.1609915 0.3996762 8 H 0.4841316 0.2376345 -0.1893094 0.2381547 0.5250008 -0.1918241 -0.1609915 -0.1574549 0.3996762 9 H 0.8219924 0.3935825 0.4294152 0.3964717 0.7234964 0.3931136 0.3783058 0.3454058 0.7308074 10 H 0.7234964 -0.3964717 0.3931136 -0.3935825 0.8219924 -0.4294152 0.3454058 -0.3783058 0.7308074 11 H 0.7234964 -0.3964717 -0.3931136 -0.3935825 0.8219924 0.4294152 -0.3454058 0.3783058 0.7308074 12 H 0.8219924 0.3935825 -0.4294152 0.3964717 0.7234964 -0.3931136 -0.3783058 -0.3454058 0.7308074 13 H 0.8219924 0.3935825 -0.4294152 0.3964717 0.7234964 -0.3931136 -0.3783058 -0.3454058 0.7308074 14 H 0.7234964 -0.3964717 -0.3931136 -0.3935825 0.8219924 0.4294152 -0.3454058 0.3783058 0.7308074 15 H 0.7234964 -0.3964717 0.3931136 -0.3935825 0.8219924 -0.4294152 0.3454058 -0.3783058 0.7308074 16 H 0.8219924 0.3935825 0.4294152 0.3964717 0.7234964 0.3931136 0.3783058 0.3454058 0.7308074 17 N -0.6473351 0.0029879 -0.0000000 -0.0029879 -0.6473351 0.0000000 -0.0000000 0.0000000 -0.5062636 18 N -0.6473351 0.0029879 -0.0000000 -0.0029879 -0.6473351 0.0000000 -0.0000000 0.0000000 -0.5062636 19 F -0.8396899 -0.3143314 -0.1421982 -0.3164730 -0.8119317 -0.0975475 -0.1180760 -0.0700655 -0.7226358 20 F -0.8119317 0.3164730 -0.0975475 0.3143314 -0.8396899 0.1421982 -0.0700655 0.1180760 -0.7226358 21 F -0.8119317 0.3164730 0.0975475 0.3143314 -0.8396899 -0.1421982 0.0700655 -0.1180760 -0.7226358 22 F -0.8396899 -0.3143314 0.1421982 -0.3164730 -0.8119317 0.0975475 0.1180760 0.0700655 -0.7226358 23 F -0.8396899 -0.3143314 -0.1421982 -0.3164730 -0.8119317 -0.0975475 -0.1180760 -0.0700655 -0.7226358 24 F -0.8119317 0.3164730 -0.0975475 0.3143314 -0.8396899 0.1421982 -0.0700655 0.1180760 -0.7226358 25 F -0.8119317 0.3164730 0.0975475 0.3143314 -0.8396899 -0.1421982 0.0700655 -0.1180760 -0.7226358 26 F -0.8396899 -0.3143314 0.1421982 -0.3164730 -0.8119317 0.0975475 0.1180760 0.0700655 -0.7226358 27 F -1.1586642 -0.0004523 -0.0000000 0.0004523 -1.1586642 0.0000000 -0.0000000 0.0000000 -1.1251275 28 F -1.1586642 -0.0004523 -0.0000000 0.0004523 -1.1586642 0.0000000 -0.0000000 0.0000000 -1.1251275 ---------------------------------------------------------------------------- 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[ 9, 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (yzy) 0.00000004 (yzy) 0.00000004 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:47:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:47:10]------------------------- 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 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.100150215000000 3.100150215000000 6.827080380000000 b 3.100150215000000 -3.100150215000000 6.827080380000000 c 3.100150215000000 3.100150215000000 -6.827080380000000 Atomic positions (fractional): 1 H 0.14339278233177 0.13803603027298 0.19447452069493 1.008 2 H 0.69891826163683 0.39339278233177 0.50535675205879 1.008 3 H 0.88803603027298 0.19356150957804 0.49464324794121 1.008 4 H 0.94356150957804 0.94891826163683 0.80552547930507 1.008 5 H 0.60660721766823 0.11196396972702 0.30552547930507 1.008 6 H 0.05108173836317 0.85660721766823 0.99464324794121 1.008 7 H 0.86196396972702 0.05643849042196 0.00535675205879 1.008 8 H 0.80643849042196 0.30108173836317 0.69447452069493 1.008 9 H 0.68742841778924 0.70262674787233 0.26637602054773 1.008 10 H 0.17105239724151 0.93742841778924 0.48480166991691 1.008 11 H 0.45262674787233 0.68625072732460 0.51519833008309 1.008 12 H 0.43625072732460 0.42105239724151 0.73362397945227 1.008 13 H 0.31374927267540 0.82894760275849 0.76637602054773 1.008 14 H 0.29737325212767 0.56374927267540 0.98480166991691 1.008 15 H 0.57894760275849 0.31257158221076 0.01519833008309 1.008 16 H 0.06257158221076 0.54737325212767 0.23362397945227 1.008 17 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 18 N 0.75000000000000 0.25000000000000 0.50000000000000 14.007 19 F 0.81512227802105 0.84301946905354 0.45097684173418 18.998 20 F 0.11414543628687 0.06512227802105 0.47210280896751 18.998 21 F 0.59301946905354 0.64204262731936 0.52789719103249 18.998 22 F 0.39204262731936 0.36414543628687 0.54902315826582 18.998 23 F 0.93487772197895 0.40698053094646 0.04902315826582 18.998 24 F 0.63585456371313 0.18487772197895 0.02789719103249 18.998 25 F 0.15698053094646 0.60795737268064 0.97210280896751 18.998 26 F 0.35795737268064 0.88585456371313 0.95097684173418 18.998 27 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 28 F 0.25000000000000 0.75000000000000 0.50000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.200300430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.200300430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.654160760000000 Atomic positions (fractional): 1 H 0.09455888431807 0.09991563637686 0.04347714595490 1.008 > 1 2 H 0.09991563637686 0.40544111568193 0.29347714595490 1.008 > 2 3 H 0.90008436362314 0.59455888431807 0.29347714595490 1.008 > 3 4 H 0.90544111568193 0.90008436362314 0.04347714595490 1.008 > 4 5 H 0.90544111568193 0.40008436362314 0.20652285404510 1.008 > 5 6 H 0.40008436362314 0.59455888431807 0.45652285404510 1.008 > 6 7 H 0.59991563637686 0.40544111568193 0.45652285404510 1.008 > 7 8 H 0.09455888431807 0.59991563637686 0.20652285404510 1.008 > 8 9 H 0.64078717531541 0.62558884523232 0.06183957255692 1.008 > 9 10 H 0.62558884523232 0.85921282468459 0.31183957255692 1.008 > 10 11 H 0.37441115476768 0.14078717531541 0.31183957255692 1.008 > 11 12 H 0.35921282468459 0.37441115476768 0.06183957255692 1.008 > 12 13 H 0.64078717531541 0.12558884523232 0.18816042744308 1.008 > 13 14 H 0.12558884523232 0.85921282468459 0.43816042744308 1.008 > 14 15 H 0.87441115476768 0.14078717531541 0.43816042744308 1.008 > 15 16 H 0.35921282468459 0.87441115476768 0.18816042744308 1.008 > 16 17 H 0.59455888431807 0.59991563637686 0.54347714595490 1.008 > 1 18 H 0.59991563637686 0.90544111568193 0.79347714595490 1.008 > 2 19 H 0.40008436362314 0.09455888431807 0.79347714595490 1.008 > 3 20 H 0.40544111568193 0.40008436362314 0.54347714595490 1.008 > 4 21 H 0.40544111568193 0.90008436362314 0.70652285404510 1.008 > 5 22 H 0.90008436362314 0.09455888431807 0.95652285404510 1.008 > 6 23 H 0.09991563637686 0.90544111568193 0.95652285404510 1.008 > 7 24 H 0.59455888431807 0.09991563637686 0.70652285404510 1.008 > 8 25 H 0.14078717531541 0.12558884523232 0.56183957255692 1.008 > 9 26 H 0.12558884523232 0.35921282468459 0.81183957255692 1.008 > 10 27 H 0.87441115476768 0.64078717531541 0.81183957255692 1.008 > 11 28 H 0.85921282468459 0.87441115476768 0.56183957255692 1.008 > 12 29 H 0.14078717531541 0.62558884523232 0.68816042744308 1.008 > 13 30 H 0.62558884523232 0.35921282468459 0.93816042744308 1.008 > 14 31 H 0.37441115476768 0.64078717531541 0.93816042744308 1.008 > 15 32 H 0.85921282468459 0.37441115476768 0.68816042744308 1.008 > 16 33 N 0.00000000000000 0.00000000000000 0.00000000000000 14.007 > 33 34 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 34 35 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 > 33 36 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 34 37 F 0.73943701638333 0.71153982535085 0.10358245267020 18.998 > 37 38 F 0.71153982535085 0.76056298361667 0.35358245267020 18.998 > 38 39 F 0.28846017464916 0.23943701638333 0.35358245267020 18.998 > 39 40 F 0.26056298361667 0.28846017464916 0.10358245267020 18.998 > 40 41 F 0.26056298361667 0.78846017464915 0.14641754732980 18.998 > 41 42 F 0.78846017464915 0.23943701638333 0.39641754732980 18.998 > 42 43 F 0.21153982535085 0.76056298361667 0.39641754732980 18.998 > 43 44 F 0.73943701638333 0.21153982535085 0.14641754732980 18.998 > 44 45 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 > 45 46 F 0.50000000000000 0.00000000000000 0.25000000000000 18.998 > 46 47 F 0.23943701638333 0.21153982535085 0.60358245267020 18.998 > 37 48 F 0.21153982535085 0.26056298361667 0.85358245267020 18.998 > 38 49 F 0.78846017464915 0.73943701638333 0.85358245267020 18.998 > 39 50 F 0.76056298361667 0.78846017464915 0.60358245267020 18.998 > 40 51 F 0.76056298361667 0.28846017464916 0.64641754732980 18.998 > 41 52 F 0.28846017464916 0.73943701638333 0.89641754732980 18.998 > 42 53 F 0.71153982535085 0.26056298361667 0.89641754732980 18.998 > 43 54 F 0.23943701638333 0.71153982535085 0.64641754732980 18.998 > 44 55 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 45 56 F 0.00000000000000 0.50000000000000 0.75000000000000 18.998 > 46 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.7789734 -0.0000001 0.0000000 0.0000001 1.7789734 0.0000000 0.0000000 0.0000000 1.7455434 -------------------------- Born effective charges -------------------------- 1 H 0.4841316 0.2376345 0.1893094 0.2381547 0.5250008 0.1918241 0.1609915 0.1574549 0.3996762 2 H 0.5250008 -0.2381547 0.1918241 -0.2376345 0.4841316 -0.1893094 0.1574549 -0.1609915 0.3996762 3 H 0.5250008 -0.2381547 -0.1918241 -0.2376345 0.4841316 0.1893094 -0.1574549 0.1609915 0.3996762 4 H 0.4841316 0.2376345 -0.1893094 0.2381547 0.5250008 -0.1918241 -0.1609915 -0.1574549 0.3996762 5 H 0.4841316 0.2376345 0.1893094 0.2381547 0.5250008 0.1918241 0.1609915 0.1574549 0.3996762 6 H 0.5250008 -0.2381547 0.1918241 -0.2376345 0.4841316 -0.1893094 0.1574549 -0.1609915 0.3996762 7 H 0.5250008 -0.2381547 -0.1918241 -0.2376345 0.4841316 0.1893094 -0.1574549 0.1609915 0.3996762 8 H 0.4841316 0.2376345 -0.1893094 0.2381547 0.5250008 -0.1918241 -0.1609915 -0.1574549 0.3996762 9 H 0.8219924 0.3935825 0.4294152 0.3964717 0.7234964 0.3931136 0.3783058 0.3454058 0.7308074 10 H 0.7234964 -0.3964717 0.3931136 -0.3935825 0.8219924 -0.4294152 0.3454058 -0.3783058 0.7308074 11 H 0.7234964 -0.3964717 -0.3931136 -0.3935825 0.8219924 0.4294152 -0.3454058 0.3783058 0.7308074 12 H 0.8219924 0.3935825 -0.4294152 0.3964717 0.7234964 -0.3931136 -0.3783058 -0.3454058 0.7308074 13 H 0.8219924 0.3935825 -0.4294152 0.3964717 0.7234964 -0.3931136 -0.3783058 -0.3454058 0.7308074 14 H 0.7234964 -0.3964717 -0.3931136 -0.3935825 0.8219924 0.4294152 -0.3454058 0.3783058 0.7308074 15 H 0.7234964 -0.3964717 0.3931136 -0.3935825 0.8219924 -0.4294152 0.3454058 -0.3783058 0.7308074 16 H 0.8219924 0.3935825 0.4294152 0.3964717 0.7234964 0.3931136 0.3783058 0.3454058 0.7308074 17 N -0.6473351 0.0029879 -0.0000000 -0.0029879 -0.6473351 0.0000000 -0.0000000 0.0000000 -0.5062636 18 N -0.6473351 0.0029879 -0.0000000 -0.0029879 -0.6473351 0.0000000 -0.0000000 0.0000000 -0.5062636 19 F -0.8396899 -0.3143314 -0.1421982 -0.3164730 -0.8119317 -0.0975475 -0.1180760 -0.0700655 -0.7226358 20 F -0.8119317 0.3164730 -0.0975475 0.3143314 -0.8396899 0.1421982 -0.0700655 0.1180760 -0.7226358 21 F -0.8119317 0.3164730 0.0975475 0.3143314 -0.8396899 -0.1421982 0.0700655 -0.1180760 -0.7226358 22 F -0.8396899 -0.3143314 0.1421982 -0.3164730 -0.8119317 0.0975475 0.1180760 0.0700655 -0.7226358 23 F -0.8396899 -0.3143314 -0.1421982 -0.3164730 -0.8119317 -0.0975475 -0.1180760 -0.0700655 -0.7226358 24 F -0.8119317 0.3164730 -0.0975475 0.3143314 -0.8396899 0.1421982 -0.0700655 0.1180760 -0.7226358 25 F -0.8119317 0.3164730 0.0975475 0.3143314 -0.8396899 -0.1421982 0.0700655 -0.1180760 -0.7226358 26 F -0.8396899 -0.3143314 0.1421982 -0.3164730 -0.8119317 0.0975475 0.1180760 0.0700655 -0.7226358 27 F -1.1586642 -0.0004523 -0.0000000 0.0004523 -1.1586642 0.0000000 -0.0000000 0.0000000 -1.1251275 28 F -1.1586642 -0.0004523 -0.0000000 0.0004523 -1.1586642 0.0000000 -0.0000000 0.0000000 -1.1251275 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yzy) 0.00000004 (yzy) 0.00000004 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 4 8 16 ] Grid generation matrix: [ 0 8 8 ] [ 8 0 8 ] [ 4 4 0 ] 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: 0.65, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/86) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.418 ( -0.000 0.000 -0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.503 ( 0.000 0.000 -0.000) 0.000 2.503 ( 0.000 0.000 0.000) 0.000 2.535 ( -0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.711 ( -0.000 0.000 0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 3.168 ( -0.000 0.000 -0.000) 0.000 3.168 ( -0.000 0.000 0.000) 0.000 3.184 ( -0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 -0.000) 0.000 3.299 ( 0.000 0.000 -0.000) 0.000 3.485 ( -0.000 0.000 -0.000) 0.000 3.539 ( -0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 5.580 ( -0.000 0.000 -0.000) 0.000 6.669 ( -0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.741 ( -0.000 0.000 0.000) 0.000 6.741 ( 0.000 0.000 0.000) 0.000 7.145 ( 0.000 0.000 0.000) 0.000 7.400 ( -0.000 0.000 -0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 -0.000) 0.000 10.907 ( 0.000 0.000 -0.000) 0.000 10.907 ( 0.000 0.000 -0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 -0.000) 0.000 11.143 ( -0.000 0.000 0.000) 0.000 11.340 ( -0.000 0.000 0.000) 0.000 12.406 ( 0.000 0.000 0.000) 0.000 12.406 ( 0.000 0.000 0.000) 0.000 12.424 ( -0.000 0.000 0.000) 0.000 12.762 ( -0.000 0.000 0.000) 0.000 12.919 ( 0.000 0.000 -0.000) 0.000 12.919 ( -0.000 0.000 0.000) 0.000 22.705 ( -0.000 -0.000 -0.000) 0.000 24.082 ( 0.000 -0.000 0.000) 0.000 24.090 ( 0.000 -0.000 0.000) 0.000 24.090 ( -0.000 0.000 0.000) 0.000 24.760 ( -0.000 0.000 0.000) 0.000 24.760 ( -0.000 0.000 0.000) 0.000 27.346 ( 0.000 0.000 0.000) 0.000 28.385 ( -0.000 0.000 -0.000) 0.000 28.385 ( 0.000 0.000 -0.000) 0.000 28.748 ( -0.000 -0.000 0.000) 0.000 28.748 ( 0.000 0.000 0.000) 0.000 29.039 ( 0.000 0.000 -0.000) 0.000 29.542 ( 0.000 0.000 -0.000) 0.000 29.779 ( -0.000 0.000 -0.000) 0.000 30.048 ( -0.000 0.000 -0.000) 0.000 30.108 ( 0.000 0.000 -0.000) 0.000 42.496 ( -0.000 0.000 -0.000) 0.000 42.837 ( 0.000 0.000 -0.000) 0.000 43.054 ( 0.000 0.000 0.000) 0.000 43.054 ( -0.000 0.000 0.000) 0.000 43.247 ( -0.000 0.000 0.000) 0.000 43.247 ( -0.000 0.000 0.000) 0.000 50.223 ( -0.000 0.000 0.000) 0.000 50.343 ( -0.000 0.000 0.000) 0.000 50.550 ( 0.000 0.000 0.000) 0.000 50.575 ( 0.000 0.000 -0.000) 0.000 85.334 ( 0.000 0.000 0.000) 0.000 85.720 ( -0.000 0.000 0.000) 0.000 85.720 ( -0.000 0.000 0.000) 0.000 85.734 ( 0.000 0.000 -0.000) 0.000 85.734 ( -0.000 0.000 -0.000) 0.000 86.291 ( 0.000 0.000 -0.000) 0.000 94.965 ( 0.000 0.000 0.000) 0.000 95.151 ( 0.000 0.000 0.000) 0.000 96.708 ( 0.000 0.000 -0.000) 0.000 97.082 ( 0.000 0.000 0.000) 0.000 97.082 ( 0.000 0.000 0.000) 0.000 97.134 ( 0.000 0.000 0.000) 0.000 97.134 ( 0.000 0.000 0.000) 0.000 97.353 ( 0.000 0.000 0.000) 0.000 97.428 ( 0.000 0.000 0.000) 0.000 98.427 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/86) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 15.690 2.923 9.496) 18.571 0.981 ( 16.174 -2.657 9.935) 19.167 1.487 ( 26.054 1.403 7.057) 27.029 2.021 ( -11.486 -1.374 -5.516) 12.816 2.227 ( -6.183 -0.060 3.201) 6.963 2.391 ( -4.380 -1.025 -2.025) 4.933 2.453 ( -1.891 -0.266 -0.349) 1.941 2.545 ( -2.163 -0.094 -1.112) 2.434 2.669 ( -2.389 0.495 -3.830) 4.541 2.678 ( 7.915 8.031 -1.945) 11.442 2.753 ( 7.005 -4.295 -2.760) 8.668 2.887 ( 5.675 -9.477 -1.811) 11.194 2.919 ( 0.438 1.624 0.654) 1.805 3.050 ( 4.138 -0.666 -0.456) 4.216 3.110 ( 6.329 6.572 -2.453) 9.448 3.190 ( 2.584 -3.360 -0.918) 4.336 3.371 ( 4.285 5.059 1.360) 6.768 3.420 ( 1.536 -2.230 7.607) 8.074 3.850 ( 12.509 -1.391 -4.569) 13.390 3.993 ( 10.380 0.476 -0.514) 10.403 4.774 ( -4.358 -0.768 1.980) 4.848 5.225 ( -14.061 0.488 -3.187) 14.426 6.543 ( -4.096 -1.483 -0.178) 4.360 6.576 ( -5.626 -0.654 1.025) 5.756 6.742 ( -0.019 1.176 0.310) 1.216 6.954 ( -8.810 1.805 3.612) 9.691 7.217 ( -3.510 0.135 -5.800) 6.781 7.802 ( -15.478 0.142 -10.794) 18.870 9.387 ( 2.334 -0.646 0.371) 2.450 9.718 ( 13.027 1.311 -6.750) 14.731 10.883 ( -0.975 1.751 0.367) 2.038 11.007 ( 2.882 -1.428 0.873) 3.333 11.077 ( -1.152 -3.589 1.277) 3.980 11.131 ( -0.575 2.120 -0.427) 2.238 11.190 ( -2.259 -3.578 6.628) 7.864 11.259 ( -3.284 4.394 1.911) 5.809 12.434 ( 1.425 0.264 -0.716) 1.616 12.514 ( 2.482 -0.381 2.318) 3.418 12.592 ( 5.753 0.709 -0.167) 5.799 12.787 ( 1.477 -1.228 -1.151) 2.239 12.866 ( -1.262 0.176 -0.777) 1.492 13.013 ( 3.705 0.216 -0.690) 3.774 22.810 ( 2.903 -0.043 4.030) 4.966 23.753 ( -6.987 -0.119 -3.876) 7.991 24.039 ( -1.922 -0.103 -1.143) 2.238 24.323 ( 5.130 0.364 -4.732) 6.989 24.660 ( -5.510 -0.353 2.094) 5.905 24.739 ( -1.666 0.348 1.784) 2.466 27.559 ( 3.027 -0.196 9.444) 9.919 28.370 ( -0.305 4.031 1.491) 4.309 28.716 ( -0.928 -2.707 -3.174) 4.273 28.774 ( 0.981 0.474 0.231) 1.114 29.001 ( 1.033 3.746 -8.475) 9.324 29.059 ( 2.900 -4.920 -11.696) 13.016 29.889 ( 0.509 -0.392 8.401) 8.426 29.958 ( -0.662 0.245 2.191) 2.302 30.077 ( -0.117 -0.280 1.751) 1.777 30.175 ( 0.039 -0.238 3.975) 3.982 42.540 ( 0.846 0.081 2.300) 2.452 42.823 ( -2.164 0.041 0.808) 2.310 43.086 ( 1.740 0.004 -0.463) 1.801 43.223 ( -1.191 -0.737 0.142) 1.408 43.294 ( 1.908 0.424 -0.613) 2.048 43.339 ( 0.216 0.310 0.000) 0.378 50.201 ( 1.129 -0.012 -2.672) 2.900 50.376 ( -2.202 -0.052 1.625) 2.737 50.471 ( 1.378 0.049 -2.123) 2.531 50.610 ( -1.528 -0.003 2.990) 3.358 85.481 ( 3.045 -0.036 4.348) 5.309 85.716 ( 3.647 -1.412 -2.256) 4.515 85.805 ( 0.284 1.021 0.812) 1.335 86.001 ( 8.909 -0.833 1.106) 9.016 86.245 ( -2.994 -1.922 7.031) 7.880 89.135 ( 0.071 3.480 -39.168) 39.322 95.042 ( 3.113 -0.006 0.690) 3.189 95.212 ( 3.635 0.088 -0.565) 3.680 96.375 ( -17.054 0.572 -9.092) 19.335 96.489 ( -13.107 -1.939 -0.917) 13.281 97.112 ( 1.928 3.178 -0.349) 3.733 97.186 ( 1.668 -2.104 1.019) 2.872 97.303 ( -12.249 0.182 24.797) 27.658 97.380 ( -3.171 -1.224 2.305) 4.107 98.325 ( 15.185 1.767 -3.755) 15.742 98.871 ( 13.547 -0.921 -2.044) 13.731 ======================= Grid point 2 (3/86) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.000 -0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.657 ( 0.000 -0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 -0.000 0.000) 0.000 2.299 ( 0.000 -0.000 0.000) 0.000 2.420 ( 0.000 -0.000 0.000) 0.000 2.492 ( 0.000 -0.000 0.000) 0.000 2.602 ( 0.000 -0.000 0.000) 0.000 2.798 ( 0.000 -0.000 -0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 -0.000 -0.000) 0.000 3.066 ( -0.000 -0.000 0.000) 0.000 3.087 ( 0.000 0.000 -0.000) 0.000 3.203 ( 0.000 0.000 -0.000) 0.000 3.437 ( 0.000 -0.000 -0.000) 0.000 3.540 ( 0.000 -0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 -0.000 -0.000) 0.000 4.101 ( 0.000 0.000 -0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 4.736 ( 0.000 -0.000 0.000) 0.000 6.472 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 -0.000 0.000) 0.000 6.685 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 -0.000 0.000) 0.000 7.013 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 -0.000 0.000) 0.000 9.458 ( 0.000 -0.000 0.000) 0.000 9.918 ( 0.000 -0.000 0.000) 0.000 10.880 ( 0.000 0.000 0.000) 0.000 11.036 ( 0.000 0.000 0.000) 0.000 11.095 ( 0.000 -0.000 0.000) 0.000 11.116 ( 0.000 0.000 0.000) 0.000 11.187 ( 0.000 -0.000 0.000) 0.000 11.238 ( 0.000 -0.000 -0.000) 0.000 12.472 ( 0.000 -0.000 0.000) 0.000 12.627 ( 0.000 0.000 -0.000) 0.000 12.631 ( 0.000 -0.000 0.000) 0.000 12.848 ( 0.000 0.000 -0.000) 0.000 12.852 ( 0.000 0.000 0.000) 0.000 13.093 ( 0.000 0.000 0.000) 0.000 22.963 ( 0.000 0.000 0.000) 0.000 23.528 ( 0.000 0.000 -0.000) 0.000 23.979 ( 0.000 -0.000 -0.000) 0.000 24.397 ( 0.000 0.000 0.000) 0.000 24.513 ( 0.000 0.000 -0.000) 0.000 24.716 ( 0.000 -0.000 0.000) 0.000 27.760 ( 0.000 -0.000 0.000) 0.000 28.485 ( 0.000 -0.000 0.000) 0.000 28.531 ( 0.000 0.000 0.000) 0.000 28.826 ( 0.000 -0.000 -0.000) 0.000 28.883 ( 0.000 -0.000 0.000) 0.000 29.032 ( 0.000 0.000 0.000) 0.000 29.974 ( 0.000 -0.000 0.000) 0.000 30.036 ( 0.000 0.000 0.000) 0.000 30.057 ( 0.000 -0.000 0.000) 0.000 30.213 ( 0.000 -0.000 0.000) 0.000 42.597 ( 0.000 -0.000 0.000) 0.000 42.769 ( 0.000 0.000 0.000) 0.000 43.152 ( 0.000 -0.000 0.000) 0.000 43.168 ( 0.000 0.000 0.000) 0.000 43.322 ( 0.000 -0.000 0.000) 0.000 43.357 ( 0.000 -0.000 0.000) 0.000 50.238 ( 0.000 -0.000 0.000) 0.000 50.270 ( 0.000 -0.000 0.000) 0.000 50.556 ( -0.000 -0.000 0.000) 0.000 50.559 ( 0.000 0.000 0.000) 0.000 85.683 ( 0.000 0.000 0.000) 0.000 85.711 ( 0.000 0.000 0.000) 0.000 85.914 ( 0.000 0.000 0.000) 0.000 85.969 ( 0.000 -0.000 -0.000) 0.000 86.511 ( 0.000 -0.000 0.000) 0.000 88.606 ( 0.000 0.000 0.000) 0.000 95.143 ( 0.000 -0.000 0.000) 0.000 95.404 ( 0.000 0.000 0.000) 0.000 95.739 ( 0.000 0.000 0.000) 0.000 96.207 ( 0.000 -0.000 0.000) 0.000 97.194 ( 0.000 -0.000 0.000) 0.000 97.256 ( -0.000 0.000 0.000) 0.000 97.263 ( 0.000 -0.000 -0.000) 0.000 97.293 ( 0.000 0.000 0.000) 0.000 98.624 ( 0.000 -0.000 0.000) 0.000 99.141 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/86) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 13.858 13.407 -0.000) 19.282 0.765 ( 18.259 17.901 -0.000) 25.571 0.926 ( 18.995 18.511 -0.000) 26.523 2.253 ( 0.386 -0.474 -0.000) 0.611 2.306 ( -7.539 -1.291 0.000) 7.649 2.386 ( -4.652 -2.757 0.000) 5.407 2.454 ( -4.032 -5.982 0.000) 7.215 2.570 ( 3.748 -2.595 -0.000) 4.558 2.572 ( -0.221 0.242 0.000) 0.328 2.637 ( 0.545 -3.627 -0.000) 3.668 2.776 ( -6.347 -2.105 0.000) 6.687 2.833 ( -0.941 8.901 0.000) 8.950 2.913 ( 6.957 3.091 -0.000) 7.613 2.992 ( 4.287 2.096 -0.000) 4.772 3.135 ( 5.722 1.121 -0.000) 5.830 3.203 ( 2.066 -0.098 -0.000) 2.068 3.318 ( -1.287 3.560 0.000) 3.785 3.385 ( 1.277 1.769 -0.000) 2.181 3.733 ( 8.996 10.544 -0.000) 13.860 3.824 ( 7.944 6.789 -0.000) 10.450 4.802 ( -2.533 -2.147 0.000) 3.320 5.417 ( -7.257 -7.528 0.000) 10.457 6.628 ( -2.139 -1.896 0.000) 2.858 6.664 ( -5.520 -0.159 0.000) 5.522 6.715 ( 1.287 -3.687 -0.000) 3.905 7.039 ( -4.192 -5.138 0.000) 6.631 7.340 ( -2.602 -3.022 0.000) 3.988 8.098 ( -17.461 -18.633 0.000) 25.535 9.355 ( 0.912 1.485 -0.000) 1.742 9.611 ( 7.723 6.102 -0.000) 9.843 10.894 ( -0.870 -1.598 0.000) 1.819 10.942 ( 1.717 1.757 -0.000) 2.457 11.022 ( 0.258 4.064 0.000) 4.072 11.102 ( -1.708 -2.127 0.000) 2.728 11.176 ( 1.632 1.533 -0.000) 2.239 11.356 ( 2.258 0.324 -0.000) 2.281 12.414 ( 0.390 -0.158 -0.000) 0.420 12.461 ( 1.568 1.787 -0.000) 2.377 12.523 ( 3.724 4.118 -0.000) 5.553 12.783 ( 0.903 1.432 -0.000) 1.693 12.891 ( -1.329 -1.414 0.000) 1.941 12.970 ( 1.753 1.647 -0.000) 2.405 22.739 ( 1.634 1.673 -0.000) 2.339 23.867 ( -6.375 -6.058 0.000) 8.794 24.121 ( 0.560 1.033 -0.000) 1.176 24.288 ( 3.244 2.251 -0.000) 3.949 24.714 ( -2.844 -1.272 0.000) 3.115 24.726 ( -0.545 -2.113 -0.000) 2.182 27.406 ( 2.904 2.923 -0.000) 4.120 28.397 ( 2.416 -1.116 -0.000) 2.662 28.746 ( -0.603 0.405 0.000) 0.726 28.764 ( 1.356 0.583 -0.000) 1.476 29.004 ( -1.411 -2.315 0.000) 2.711 29.467 ( -6.605 -2.040 0.000) 6.913 29.607 ( 2.774 2.655 -0.000) 3.840 29.907 ( 3.454 3.469 -0.000) 4.895 30.048 ( -0.038 0.120 0.000) 0.126 30.110 ( 0.074 0.035 -0.000) 0.082 42.509 ( 0.776 0.653 -0.000) 1.014 42.824 ( -0.542 -0.628 0.000) 0.830 43.078 ( 1.101 1.307 -0.000) 1.709 43.247 ( -0.808 0.839 0.000) 1.165 43.263 ( 1.492 -0.016 -0.000) 1.492 43.344 ( 0.021 -0.316 -0.000) 0.317 50.232 ( 0.479 0.487 -0.000) 0.683 50.346 ( 0.167 0.197 -0.000) 0.258 50.531 ( -0.903 -0.931 0.000) 1.297 50.561 ( -0.692 -0.673 0.000) 0.965 85.384 ( 2.459 2.576 -0.000) 3.561 85.760 ( -0.702 2.933 0.000) 3.016 85.760 ( 2.431 1.136 -0.000) 2.683 85.829 ( 4.614 5.444 -0.000) 7.136 86.248 ( -2.385 -1.583 0.000) 2.863 89.683 ( -11.036 -15.633 0.000) 19.135 95.002 ( 1.700 1.697 -0.000) 2.402 95.181 ( 1.407 1.411 -0.000) 1.993 96.658 ( -15.895 -11.752 0.000) 19.767 96.757 ( 0.156 -1.225 -0.000) 1.235 96.866 ( -15.371 -17.518 0.000) 23.306 97.130 ( 4.509 0.096 -0.000) 4.510 97.165 ( -0.902 3.832 0.000) 3.937 97.549 ( 5.457 6.320 -0.000) 8.350 98.181 ( 11.576 9.460 -0.000) 14.950 98.722 ( 10.331 11.330 -0.000) 15.333 ======================= Grid point 6 (5/86) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 12.380 0.382 1.198) 12.443 1.348 ( 12.745 10.580 7.193) 18.059 1.706 ( -14.263 -1.164 1.113) 14.354 1.949 ( 15.676 0.674 1.711) 15.783 2.176 ( -4.796 5.796 -0.633) 7.550 2.323 ( -0.815 -1.216 -1.698) 2.242 2.401 ( -2.630 0.147 -0.004) 2.634 2.459 ( -0.874 -3.504 1.419) 3.880 2.617 ( -0.046 -1.137 -0.618) 1.295 2.742 ( -0.265 -7.714 -1.350) 7.835 2.796 ( 1.833 -5.452 -1.367) 5.912 2.843 ( 8.842 -5.742 -2.346) 10.800 2.998 ( 3.633 1.506 -0.612) 3.980 3.045 ( -3.905 -2.847 -1.486) 5.056 3.174 ( 4.716 -1.633 2.486) 5.576 3.269 ( -2.114 -0.711 3.820) 4.423 3.507 ( 5.592 4.832 -5.750) 9.364 3.747 ( 5.799 6.608 4.517) 9.884 3.953 ( 2.658 -6.758 -5.209) 8.937 4.101 ( 2.836 -2.068 1.250) 3.726 4.671 ( -3.382 2.104 2.139) 4.522 4.992 ( -8.062 4.326 -1.974) 9.360 6.467 ( -1.978 -0.267 0.095) 1.999 6.499 ( -1.994 0.661 1.230) 2.434 6.699 ( -1.693 -3.122 -1.415) 3.823 6.830 ( -4.316 -2.681 2.319) 5.585 7.156 ( -2.540 3.330 -3.152) 5.241 7.414 ( -11.770 -3.412 -2.105) 12.435 9.399 ( 0.657 -1.383 1.234) 1.966 9.892 ( 5.120 -4.340 -4.796) 8.249 10.873 ( 0.217 -1.307 -0.534) 1.429 11.014 ( -1.112 -1.681 -0.153) 2.021 11.066 ( -0.025 0.212 1.173) 1.193 11.084 ( 2.512 2.751 0.586) 3.771 11.251 ( 2.288 5.632 -0.054) 6.079 11.349 ( -2.665 7.967 3.319) 9.032 12.461 ( 1.554 -0.379 -0.513) 1.680 12.538 ( 0.480 -0.442 1.667) 1.790 12.694 ( 2.868 -1.719 -0.597) 3.396 12.785 ( 0.556 -0.660 -2.104) 2.274 12.852 ( -0.232 0.244 0.808) 0.875 13.036 ( 0.794 -3.933 -0.003) 4.012 22.892 ( 3.807 1.423 2.783) 4.926 23.588 ( -5.066 -3.334 -2.438) 6.536 24.053 ( -1.679 4.590 -0.603) 4.924 24.412 ( 3.564 -0.047 -3.962) 5.330 24.544 ( -5.178 0.347 2.526) 5.772 24.718 ( -0.249 0.115 0.781) 0.827 27.662 ( 5.134 1.930 4.536) 7.118 28.506 ( 2.854 4.802 2.327) 6.052 28.623 ( -3.574 -1.570 -7.209) 8.198 28.821 ( 1.355 1.866 -0.092) 2.308 28.946 ( -3.035 -4.716 0.718) 5.654 29.063 ( -1.618 3.468 -5.737) 6.896 29.877 ( 1.968 -1.426 6.720) 7.146 30.002 ( 0.751 0.462 -0.352) 0.949 30.064 ( 1.076 -2.310 -1.373) 2.894 30.150 ( -0.007 -2.067 2.484) 3.231 42.573 ( 1.288 0.970 1.409) 2.141 42.790 ( -0.880 -0.227 -0.600) 1.089 43.143 ( 2.144 1.576 -0.281) 2.676 43.192 ( -1.778 0.720 0.458) 1.972 43.328 ( 0.408 0.066 -0.640) 0.762 43.344 ( 0.544 -0.318 0.445) 0.772 50.234 ( 1.198 0.846 -1.536) 2.123 50.330 ( -2.896 0.831 0.206) 3.020 50.495 ( 2.253 -1.355 -0.598) 2.696 50.566 ( -1.424 -1.304 1.795) 2.636 85.586 ( 5.111 2.078 1.632) 5.753 85.769 ( 1.008 -2.568 0.928) 2.911 85.797 ( -0.240 2.860 0.448) 2.905 86.081 ( -4.164 0.980 0.723) 4.338 86.318 ( 12.908 1.625 3.464) 13.463 88.831 ( -16.086 -15.491 -15.946) 27.441 95.115 ( 2.711 0.972 0.529) 2.928 95.309 ( 5.269 -0.041 0.015) 5.269 95.877 ( -16.959 -7.413 0.436) 18.514 96.238 ( -5.464 -10.782 -7.809) 14.391 96.984 ( -0.197 -4.185 7.221) 8.348 97.132 ( -0.122 0.268 0.564) 0.637 97.365 ( 6.464 6.531 -0.753) 9.220 97.572 ( -4.702 15.237 5.510) 16.871 98.631 ( 7.659 5.122 -2.012) 9.431 99.106 ( 5.792 3.446 -0.313) 6.747 ======================= Grid point 7 (6/86) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -9.095 -1.601 -2.027) 9.455 1.625 ( -10.848 7.526 -8.169) 15.526 1.714 ( 6.027 4.071 3.836) 8.223 1.925 ( -8.226 -1.795 -3.652) 9.177 2.062 ( 12.800 2.492 -1.489) 13.125 2.365 ( 0.765 0.522 0.368) 0.997 2.414 ( 0.525 -0.861 1.378) 1.707 2.507 ( -0.341 -3.291 4.332) 5.451 2.538 ( -0.320 -0.297 -2.004) 2.051 2.728 ( -11.040 -6.875 0.171) 13.006 2.777 ( -1.945 -4.438 1.818) 5.176 2.839 ( 1.639 -2.906 1.113) 3.517 3.012 ( -2.569 0.524 3.656) 4.499 3.118 ( -4.456 4.615 2.394) 6.847 3.197 ( -0.517 0.036 -3.133) 3.175 3.361 ( -1.537 -4.866 -2.057) 5.502 3.367 ( -5.247 -3.389 -0.592) 6.274 3.617 ( 0.676 -0.928 -2.099) 2.393 3.978 ( -8.674 -3.089 8.480) 12.518 4.102 ( -3.481 3.200 -1.650) 5.008 4.764 ( 4.518 3.252 -0.159) 5.569 4.920 ( 6.871 3.512 0.075) 7.717 6.503 ( 3.645 0.539 -0.006) 3.685 6.536 ( 2.673 2.526 -0.624) 3.730 6.720 ( 5.824 -3.319 -3.625) 7.621 6.761 ( 0.286 -7.420 -0.892) 7.479 7.111 ( 0.936 3.561 1.185) 3.867 7.365 ( 8.179 -0.311 4.774) 9.476 9.424 ( -1.352 -0.980 1.618) 2.325 9.797 ( -6.249 -3.354 0.453) 7.106 10.865 ( 0.532 -1.721 -3.075) 3.564 11.000 ( 1.247 -1.873 0.527) 2.311 11.088 ( 1.139 -1.017 -1.034) 1.844 11.164 ( 0.133 4.458 1.231) 4.627 11.238 ( -3.852 3.974 0.747) 5.585 11.362 ( 2.267 8.051 -1.246) 8.457 12.444 ( -1.902 -0.787 0.360) 2.089 12.567 ( -1.258 -2.529 2.002) 3.462 12.655 ( -0.653 1.764 -3.036) 3.571 12.814 ( 0.390 -2.396 -1.052) 2.645 12.859 ( -1.116 1.103 1.135) 1.937 13.015 ( -2.032 -4.090 1.580) 4.833 22.962 ( -1.492 1.345 -4.325) 4.768 23.528 ( 3.144 -3.099 3.826) 5.842 24.040 ( 0.955 4.612 1.071) 4.830 24.326 ( -5.115 -0.308 4.173) 6.609 24.601 ( 5.473 0.980 -2.472) 6.085 24.730 ( 1.035 -0.336 -1.404) 1.777 27.780 ( -0.414 1.767 -6.098) 6.362 28.348 ( -0.690 -3.371 -4.797) 5.903 28.710 ( 0.862 6.389 6.682) 9.285 28.818 ( -1.397 0.364 -1.532) 2.105 28.871 ( -0.417 0.577 2.745) 2.835 29.010 ( -2.303 0.514 5.262) 5.767 29.935 ( -1.127 -1.946 0.121) 2.252 30.028 ( -0.225 -0.320 -3.225) 3.249 30.071 ( 2.219 -1.055 -0.994) 2.651 30.186 ( 0.536 -2.849 -0.392) 2.925 42.603 ( -0.199 0.768 -1.781) 1.950 42.783 ( 1.394 -0.386 -0.170) 1.456 43.121 ( -1.986 0.973 0.982) 2.420 43.230 ( 1.774 2.166 -0.266) 2.812 43.305 ( -1.548 -0.065 1.123) 1.914 43.342 ( -0.390 -0.970 -0.860) 1.354 50.211 ( -2.192 0.897 0.850) 2.517 50.313 ( 1.909 0.749 2.063) 2.909 50.507 ( -1.312 -1.258 -1.848) 2.592 50.592 ( 2.440 -1.329 -0.995) 2.951 85.622 ( -3.947 0.677 -1.738) 4.365 85.766 ( 1.240 -0.356 1.343) 1.862 85.847 ( -5.368 4.310 1.564) 7.060 85.995 ( 2.910 -2.315 0.582) 3.764 86.575 ( -1.687 5.037 -12.104) 13.218 88.390 ( -1.594 -14.878 20.049) 25.018 95.130 ( -2.203 1.088 -0.985) 2.647 95.292 ( -5.919 -0.492 0.894) 6.006 95.852 ( 12.944 -5.383 5.067) 14.906 96.187 ( 7.258 -10.962 -1.664) 13.251 97.058 ( 2.762 -3.065 -3.239) 5.245 97.168 ( 2.540 -3.142 -2.892) 4.969 97.377 ( -4.139 8.417 -0.134) 9.380 97.666 ( 6.145 11.450 -2.345) 13.205 98.575 ( -8.225 5.541 -1.791) 10.077 99.103 ( -7.384 4.188 3.185) 9.067 ======================= Grid point 8 (7/86) ======================= q-point: ( 0.00 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -7.875 9.482 -12.917) 17.854 0.865 ( -15.502 15.154 -10.140) 23.932 1.079 ( -16.169 16.453 -14.919) 27.472 2.228 ( 5.431 2.125 3.759) 6.938 2.256 ( -2.824 -8.146 3.748) 9.401 2.373 ( 1.707 -1.540 1.722) 2.872 2.441 ( 0.952 -4.153 1.830) 4.637 2.525 ( 6.009 -0.453 1.536) 6.219 2.594 ( 2.531 3.939 1.569) 4.938 2.641 ( 0.827 -0.891 -1.142) 1.668 2.719 ( -7.852 0.353 6.999) 10.525 2.798 ( -0.339 -4.145 -1.998) 4.614 2.966 ( -0.987 -1.086 -1.349) 1.993 2.986 ( -3.247 6.965 0.903) 7.738 3.081 ( -1.004 8.147 2.708) 8.644 3.269 ( -1.801 -0.288 -3.484) 3.933 3.289 ( -1.820 1.313 2.285) 3.202 3.382 ( -1.858 1.004 0.208) 2.122 3.740 ( -10.668 8.443 -0.755) 13.626 3.814 ( -5.974 7.828 1.077) 9.906 4.821 ( 2.123 -2.529 -1.994) 3.857 5.379 ( 7.184 -6.891 3.881) 10.685 6.627 ( 0.585 -2.785 0.042) 2.846 6.682 ( 1.015 -4.558 -1.708) 4.972 6.717 ( 3.774 1.253 -0.245) 3.984 7.073 ( 6.053 -4.008 -3.258) 7.957 7.201 ( -2.594 1.862 12.995) 13.382 7.893 ( 7.993 -7.477 14.003) 17.773 9.359 ( -1.335 1.013 -0.419) 1.727 9.532 ( -7.362 8.036 4.644) 11.847 10.881 ( 1.891 -0.352 -0.387) 1.962 10.979 ( -3.832 2.087 -0.059) 4.364 11.092 ( 1.079 -2.492 -1.114) 2.935 11.163 ( 4.599 -6.634 -6.825) 10.571 11.171 ( -0.087 1.706 -0.674) 1.836 11.401 ( 0.524 1.516 -4.355) 4.642 12.405 ( 0.194 0.359 0.661) 0.777 12.482 ( -1.554 1.555 -1.840) 2.867 12.527 ( -4.336 3.827 -0.613) 5.816 12.775 ( -1.228 0.613 0.881) 1.631 12.875 ( 0.958 -1.024 1.639) 2.157 12.963 ( -1.701 1.975 1.163) 2.854 22.780 ( -1.512 1.493 -4.436) 4.919 23.826 ( 5.658 -5.850 4.306) 9.208 24.104 ( -1.227 0.814 1.643) 2.206 24.229 ( -2.848 3.584 5.345) 7.038 24.737 ( 1.301 -2.944 -2.324) 3.970 24.747 ( 2.352 -0.708 -2.166) 3.275 27.539 ( -0.053 -0.126 -12.403) 12.404 28.391 ( 1.487 2.475 0.675) 2.965 28.732 ( -1.793 -1.403 2.498) 3.380 28.766 ( -0.506 1.048 -0.260) 1.192 28.915 ( -2.978 4.297 12.002) 13.092 29.046 ( -5.029 3.140 12.083) 13.459 29.853 ( -1.540 1.647 -2.183) 3.139 30.004 ( -0.979 0.020 2.858) 3.021 30.106 ( 7.546 -7.397 -16.782) 19.831 30.159 ( 0.388 -0.496 -3.554) 3.609 42.534 ( -0.480 0.580 -2.671) 2.775 42.855 ( 2.460 -2.465 -2.250) 4.146 43.071 ( -1.210 1.177 0.730) 1.839 43.246 ( -1.048 -0.692 0.245) 1.280 43.266 ( 0.128 1.402 -0.375) 1.457 43.330 ( -0.508 0.777 1.454) 1.725 50.190 ( -0.656 0.650 3.007) 3.145 50.406 ( 0.075 -0.139 -4.976) 4.978 50.449 ( 0.505 -0.444 5.442) 5.483 50.625 ( 1.053 -1.060 -3.467) 3.775 85.460 ( 0.081 0.093 -5.999) 6.001 85.683 ( -3.864 0.822 4.751) 6.179 85.785 ( 0.996 4.798 -2.337) 5.429 85.895 ( -5.363 0.544 -4.587) 7.078 86.301 ( 0.584 -2.139 -5.754) 6.167 88.968 ( -10.012 13.721 56.768) 59.255 95.008 ( -1.691 1.685 -0.758) 2.504 95.174 ( -1.371 1.434 0.717) 2.109 96.540 ( 11.232 -8.608 5.372) 15.137 96.663 ( 13.655 -17.579 1.615) 22.318 97.123 ( 1.248 2.360 -1.913) 3.284 97.176 ( -2.864 -0.368 -1.225) 3.136 97.258 ( 9.869 -10.728 -14.449) 20.525 97.685 ( -1.744 2.163 -14.934) 15.190 98.117 ( -10.641 12.262 6.009) 17.312 98.707 ( -11.137 10.448 1.827) 15.379 ======================= Grid point 9 (8/86) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 14.716 13.606 -0.000) 20.043 1.382 ( 1.799 18.350 0.000) 18.438 1.489 ( 21.191 3.024 -0.000) 21.406 2.086 ( -17.036 6.047 0.000) 18.077 2.163 ( 3.280 -15.218 -0.000) 15.567 2.286 ( 1.879 -4.234 -0.000) 4.632 2.309 ( -2.038 2.644 0.000) 3.339 2.546 ( -2.338 -1.240 0.000) 2.646 2.581 ( 0.434 -2.309 -0.000) 2.349 2.631 ( -0.221 3.109 0.000) 3.116 2.647 ( 2.612 -3.078 -0.000) 4.037 2.788 ( -8.061 -0.707 0.000) 8.092 2.952 ( -0.468 -1.485 -0.000) 1.557 3.093 ( -4.159 -0.402 0.000) 4.178 3.233 ( 2.425 2.761 -0.000) 3.674 3.284 ( -3.052 -0.511 0.000) 3.095 3.509 ( 9.610 0.024 -0.000) 9.610 3.669 ( 11.682 10.903 -0.000) 15.980 3.931 ( -4.295 -0.941 0.000) 4.397 3.998 ( 0.327 1.130 0.000) 1.177 4.745 ( 0.463 3.472 0.000) 3.503 5.130 ( -3.290 -5.386 0.000) 6.311 6.517 ( -3.644 -2.546 0.000) 4.445 6.566 ( -4.330 0.097 0.000) 4.331 6.650 ( -0.348 -3.685 -0.000) 3.702 6.813 ( -3.763 -8.859 -0.000) 9.625 7.248 ( 0.299 -1.143 -0.000) 1.182 7.501 ( -9.597 -8.422 0.000) 12.768 9.399 ( -0.703 2.140 0.000) 2.252 9.752 ( 2.209 -2.210 -0.000) 3.125 10.825 ( -0.269 -2.714 -0.000) 2.727 11.004 ( -1.939 -2.102 0.000) 2.859 11.074 ( 4.454 3.730 -0.000) 5.810 11.167 ( 1.223 8.308 0.000) 8.397 11.264 ( 3.630 1.794 -0.000) 4.049 11.448 ( 2.929 2.409 -0.000) 3.792 12.427 ( 0.732 0.449 -0.000) 0.859 12.538 ( 0.980 2.559 0.000) 2.740 12.598 ( 0.315 -1.366 -0.000) 1.402 12.816 ( -1.319 -3.115 -0.000) 3.382 12.851 ( 0.450 2.560 0.000) 2.599 12.978 ( -1.984 -1.824 0.000) 2.695 22.837 ( 3.095 3.321 -0.000) 4.540 23.632 ( -5.335 -5.329 0.000) 7.541 24.168 ( 1.260 1.832 -0.000) 2.224 24.380 ( 2.818 1.899 -0.000) 3.398 24.607 ( -3.609 -2.578 0.000) 4.435 24.694 ( 0.536 -0.475 -0.000) 0.716 27.571 ( 5.033 5.314 -0.000) 7.319 28.427 ( 4.728 -4.167 -0.000) 6.302 28.739 ( -1.055 0.663 0.000) 1.247 28.839 ( 2.999 2.632 -0.000) 3.990 28.888 ( -4.738 -2.268 0.000) 5.253 29.324 ( -5.218 -0.053 0.000) 5.218 29.716 ( 2.535 2.096 -0.000) 3.289 29.968 ( 1.194 -2.087 -0.000) 2.405 30.060 ( -1.805 2.422 0.000) 3.021 30.105 ( -0.167 -0.615 -0.000) 0.637 42.556 ( 1.549 1.608 -0.000) 2.233 42.796 ( -0.508 -1.021 0.000) 1.141 43.145 ( 1.931 2.099 -0.000) 2.852 43.247 ( -1.428 1.416 0.000) 2.011 43.298 ( 1.831 -0.135 -0.000) 1.836 43.331 ( -0.105 -0.976 -0.000) 0.981 50.262 ( 0.947 1.004 -0.000) 1.380 50.357 ( 0.274 0.478 -0.000) 0.551 50.483 ( -1.273 -1.485 0.000) 1.957 50.522 ( -1.211 -1.220 0.000) 1.719 85.536 ( 4.830 5.093 -0.000) 7.019 85.803 ( -2.593 3.961 0.000) 4.734 85.833 ( 2.139 0.572 -0.000) 2.214 86.092 ( 8.466 7.204 -0.000) 11.117 86.157 ( -3.021 -1.243 0.000) 3.267 88.939 ( -19.392 -25.721 0.000) 32.211 95.086 ( 2.307 2.255 -0.000) 3.226 95.256 ( 2.125 2.162 -0.000) 3.031 96.018 ( -16.340 -12.740 0.000) 20.720 96.230 ( -13.035 -15.334 0.000) 20.126 96.865 ( 5.072 3.617 -0.000) 6.229 97.248 ( -2.284 7.162 0.000) 7.517 97.255 ( 8.025 -0.787 -0.000) 8.064 97.783 ( 3.109 4.863 -0.000) 5.772 98.566 ( 11.156 7.231 -0.000) 13.295 99.113 ( 6.389 8.852 -0.000) 10.917 ======================= Grid point 10 (9/86) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -7.331 5.269 -0.645) 9.051 1.569 ( 2.624 6.082 1.994) 6.918 1.799 ( 11.422 6.194 5.800) 14.229 2.130 ( -2.583 -0.504 -1.949) 3.275 2.140 ( -2.834 3.647 -3.569) 5.837 2.321 ( 0.571 -0.627 -0.438) 0.955 2.343 ( 0.677 -7.293 -2.175) 7.641 2.411 ( 0.407 1.141 1.274) 1.758 2.580 ( 1.098 -7.779 2.435) 8.225 2.620 ( -0.750 2.579 0.050) 2.686 2.676 ( -0.569 -6.911 -0.382) 6.945 2.764 ( -6.000 -8.532 1.180) 10.497 2.962 ( 10.299 -5.894 -0.717) 11.888 3.022 ( 4.063 -7.760 5.418) 10.300 3.181 ( -1.148 -2.237 -2.940) 3.869 3.246 ( 0.634 2.422 -2.202) 3.335 3.496 ( -6.662 -4.330 -5.562) 9.699 3.586 ( -6.524 -0.733 -1.497) 6.733 3.912 ( -9.142 -4.196 9.695) 13.971 4.100 ( 10.057 -3.660 -2.870) 11.081 4.838 ( 1.661 11.554 0.404) 11.679 5.065 ( -1.403 7.118 -0.732) 7.292 6.447 ( 1.491 -0.118 0.464) 1.566 6.514 ( 1.797 -0.493 0.008) 1.863 6.606 ( 0.144 -3.745 -2.378) 4.439 6.656 ( -1.269 -6.015 0.321) 6.156 7.234 ( -1.450 5.328 -0.056) 5.522 7.313 ( -0.939 3.006 0.520) 3.192 9.377 ( -0.203 -0.148 1.520) 1.541 9.780 ( -1.345 -8.096 -2.031) 8.454 10.875 ( 1.716 -1.018 -2.363) 3.092 10.942 ( -0.380 -1.864 0.686) 2.022 11.147 ( -1.705 7.162 0.298) 7.368 11.236 ( 2.533 6.127 0.291) 6.636 11.407 ( -2.596 5.572 0.726) 6.190 11.448 ( 2.230 4.763 1.078) 5.369 12.459 ( -1.366 -1.015 0.369) 1.742 12.510 ( -1.286 -1.095 0.550) 1.777 12.666 ( 3.754 -4.812 -0.452) 6.120 12.783 ( -0.158 -1.322 -2.817) 3.116 12.853 ( -0.393 -0.193 0.442) 0.623 12.895 ( -1.354 -6.519 1.752) 6.884 23.019 ( 3.962 3.166 0.290) 5.080 23.422 ( -3.402 -4.726 -0.436) 5.839 24.144 ( -0.806 6.583 0.424) 6.646 24.392 ( -5.728 0.386 1.152) 5.855 24.561 ( 4.712 1.489 -1.044) 5.051 24.729 ( 0.638 -0.345 -0.553) 0.912 27.829 ( 4.885 4.193 0.778) 6.484 28.428 ( -3.561 -7.077 -7.348) 10.805 28.685 ( 0.955 3.723 3.092) 4.933 28.802 ( -2.752 -0.225 6.882) 7.415 28.925 ( 0.818 4.452 -1.013) 4.639 29.089 ( -2.237 2.958 -4.103) 5.531 29.886 ( 2.063 -2.036 1.889) 3.460 29.989 ( -1.009 -0.895 1.058) 1.714 30.022 ( 1.652 -4.469 -0.487) 4.789 30.111 ( 0.690 -1.792 -0.513) 1.987 42.627 ( 1.213 1.682 0.384) 2.109 42.772 ( -0.204 -0.860 -0.742) 1.154 43.174 ( -1.812 1.903 0.476) 2.670 43.235 ( 2.250 2.075 -0.020) 3.061 43.314 ( -1.004 -0.302 0.523) 1.172 43.342 ( 0.045 -0.948 -0.612) 1.129 50.274 ( -0.598 1.769 -0.011) 1.868 50.303 ( -1.678 1.697 0.117) 2.389 50.504 ( 1.255 -2.434 -0.082) 2.740 50.511 ( 0.974 -2.242 -0.058) 2.445 85.706 ( -2.619 0.567 1.417) 3.031 85.739 ( 1.829 3.305 -0.132) 3.780 85.886 ( 3.853 2.614 0.351) 4.669 86.013 ( -4.242 1.217 0.789) 4.483 86.666 ( 14.560 4.135 -1.341) 15.195 88.025 ( -18.522 -24.819 -1.382) 30.999 95.181 ( 1.157 1.729 -0.035) 2.081 95.359 ( -1.664 -1.936 0.040) 2.553 95.551 ( -0.500 -3.748 1.467) 4.056 95.891 ( -1.413 -13.790 -1.561) 13.950 97.071 ( 2.342 4.644 -2.674) 5.849 97.168 ( 0.980 4.968 2.328) 5.574 97.602 ( 5.659 2.687 -0.606) 6.294 97.676 ( -4.122 2.611 1.077) 4.997 98.874 ( 1.398 10.606 -1.501) 10.802 99.221 ( -1.929 3.883 1.469) 4.578 ======================= Grid point 11 (10/86) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -3.239 6.312 -3.474) 7.899 1.547 ( -12.465 9.044 -5.739) 16.435 1.805 ( -5.513 10.289 -12.138) 16.840 1.989 ( 8.239 3.930 5.073) 10.444 2.203 ( -6.831 -13.301 -3.628) 15.386 2.287 ( 0.932 -2.123 0.826) 2.461 2.332 ( 2.860 0.461 0.838) 3.016 2.410 ( 0.235 -1.227 3.481) 3.698 2.516 ( 5.286 2.529 1.248) 5.991 2.597 ( 0.146 1.124 0.720) 1.343 2.696 ( -1.727 -2.627 3.600) 4.779 2.828 ( 2.519 -3.863 -0.026) 4.611 2.894 ( -0.822 0.428 -2.787) 2.937 3.123 ( -3.536 -0.589 0.329) 3.600 3.233 ( -5.315 0.438 0.247) 5.339 3.288 ( 5.594 5.367 0.550) 7.772 3.336 ( -4.600 1.276 4.331) 6.446 3.651 ( -0.416 7.552 2.061) 7.839 3.799 ( 2.308 -6.243 5.526) 8.651 4.106 ( -6.217 6.651 -3.752) 9.847 4.808 ( -1.915 -0.458 -2.924) 3.525 5.057 ( 3.335 -2.199 3.385) 5.236 6.567 ( 0.317 -4.042 -1.747) 4.415 6.616 ( 0.718 -4.131 -2.062) 4.672 6.646 ( 4.482 -0.998 -0.260) 4.599 6.812 ( 10.172 -4.762 1.153) 11.291 7.130 ( -3.150 1.517 2.254) 4.160 7.442 ( 4.946 -4.741 3.258) 7.586 9.407 ( -0.197 0.793 -0.378) 0.900 9.665 ( -2.377 1.769 2.981) 4.203 10.849 ( 1.174 -1.249 -1.268) 2.133 11.025 ( 2.116 -0.327 -0.496) 2.198 11.073 ( -1.207 -0.689 0.009) 1.390 11.183 ( -6.042 2.326 -0.634) 6.506 11.261 ( -2.011 4.467 0.043) 4.899 11.511 ( -0.724 2.765 -1.864) 3.412 12.406 ( -0.158 0.952 0.507) 1.090 12.535 ( 0.890 -0.110 0.395) 0.980 12.662 ( -1.237 0.835 -2.808) 3.179 12.759 ( -0.934 -1.993 1.812) 2.850 12.858 ( -0.691 0.803 0.311) 1.105 12.950 ( 2.202 -0.997 1.639) 2.920 22.960 ( -2.005 2.050 -6.382) 6.996 23.528 ( 4.300 -4.335 5.395) 8.148 24.140 ( -2.633 2.054 1.316) 3.589 24.233 ( -2.363 3.141 5.451) 6.720 24.692 ( 1.505 -3.076 -3.146) 4.650 24.727 ( 1.856 -0.378 -1.505) 2.419 27.789 ( -1.832 1.261 -9.671) 9.924 28.356 ( 3.203 0.569 2.924) 4.373 28.700 ( -3.061 -1.325 1.691) 3.740 28.839 ( -2.727 2.921 0.171) 4.000 28.888 ( -1.947 1.817 5.701) 6.293 28.994 ( -1.066 2.256 2.583) 3.591 29.907 ( 0.820 0.549 -1.045) 1.437 30.005 ( -1.350 -0.390 1.447) 2.017 30.081 ( 3.408 -4.332 -4.802) 7.310 30.162 ( 2.435 -1.354 -2.100) 3.489 42.615 ( -0.534 0.832 -2.824) 2.992 42.790 ( 1.158 -1.624 0.408) 2.036 43.121 ( -1.489 2.397 0.778) 2.927 43.258 ( -2.032 -0.786 0.244) 2.192 43.297 ( -0.010 1.089 -0.124) 1.096 43.324 ( 0.621 0.422 0.427) 0.864 50.198 ( -1.671 1.668 1.116) 2.611 50.347 ( -0.092 0.111 4.190) 4.192 50.473 ( 0.856 -0.864 -3.987) 4.168 50.603 ( 2.156 -2.172 -1.310) 3.329 85.586 ( -2.483 2.546 -1.138) 3.734 85.727 ( -3.029 2.387 1.853) 4.279 85.897 ( -0.406 0.145 -2.212) 2.253 86.026 ( 0.905 3.945 -0.504) 4.078 86.515 ( -7.353 -1.496 -14.272) 16.124 88.234 ( 10.064 -5.047 29.447) 31.526 95.113 ( -2.402 2.238 -1.322) 3.539 95.231 ( -1.891 2.445 1.296) 3.352 95.993 ( 15.115 -10.801 1.408) 18.631 96.064 ( 7.703 -12.986 3.610) 15.525 97.066 ( 4.022 -4.722 -5.932) 8.583 97.279 ( 0.803 7.101 -1.431) 7.289 97.327 ( -6.905 -1.169 -2.880) 7.572 97.848 ( 0.755 -0.872 -0.397) 1.219 98.589 ( -10.355 12.900 -3.489) 16.906 99.047 ( -8.687 7.442 4.069) 12.141 ======================= Grid point 13 (11/86) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 11.817 7.658 -0.000) 14.082 1.662 ( -0.224 12.608 0.000) 12.610 1.866 ( 1.297 2.579 -0.000) 2.887 1.967 ( 7.153 -12.909 -0.000) 14.758 1.971 ( -5.473 10.708 0.000) 12.025 2.279 ( 3.817 -1.856 -0.000) 4.244 2.290 ( -2.940 -1.017 0.000) 3.111 2.481 ( -1.147 -3.504 -0.000) 3.687 2.520 ( 2.690 -5.251 -0.000) 5.900 2.552 ( -10.452 -3.199 0.000) 10.931 2.690 ( -3.002 6.378 0.000) 7.049 2.692 ( 2.273 -0.895 -0.000) 2.442 2.792 ( -10.096 -6.964 0.000) 12.264 2.880 ( -3.468 -2.855 0.000) 4.492 3.114 ( -1.031 -6.790 -0.000) 6.868 3.375 ( 2.993 4.816 -0.000) 5.670 3.617 ( -1.020 -7.365 -0.000) 7.435 3.718 ( -6.378 -2.662 0.000) 6.911 3.825 ( 2.532 -7.648 -0.000) 8.056 3.933 ( -5.372 7.385 0.000) 9.132 4.991 ( 5.247 9.363 -0.000) 10.733 5.128 ( 4.746 0.415 -0.000) 4.764 6.431 ( -0.793 -0.376 0.000) 0.877 6.483 ( -1.163 -2.319 0.000) 2.594 6.576 ( -1.320 -1.267 0.000) 1.830 6.599 ( -2.209 -4.671 0.000) 5.167 7.312 ( 2.251 2.418 -0.000) 3.304 7.357 ( -0.371 -0.086 0.000) 0.381 9.419 ( -1.790 3.134 0.000) 3.609 9.649 ( -1.371 -7.066 -0.000) 7.198 10.817 ( 2.916 -0.633 -0.000) 2.984 10.938 ( -1.534 -0.725 0.000) 1.697 11.266 ( 5.182 4.719 -0.000) 7.009 11.368 ( -0.156 9.193 0.000) 9.194 11.386 ( 5.984 0.169 -0.000) 5.986 11.518 ( -0.230 0.875 0.000) 0.905 12.457 ( -0.002 0.661 0.000) 0.661 12.521 ( -0.621 -3.104 -0.000) 3.166 12.564 ( -3.061 1.011 0.000) 3.224 12.696 ( -1.371 -7.182 -0.000) 7.312 12.866 ( -2.461 -1.214 0.000) 2.744 12.873 ( -1.057 0.659 0.000) 1.246 22.997 ( 4.453 4.872 -0.000) 6.601 23.423 ( -5.144 -5.376 0.000) 7.440 24.246 ( 2.184 2.394 -0.000) 3.240 24.477 ( -3.542 -2.971 0.000) 4.623 24.510 ( 4.244 3.796 -0.000) 5.695 24.711 ( 0.448 -0.049 -0.000) 0.451 27.813 ( 6.000 7.366 -0.000) 9.500 28.349 ( 0.055 -9.335 -0.000) 9.335 28.736 ( -0.925 1.201 0.000) 1.516 28.784 ( -2.762 0.232 0.000) 2.772 28.981 ( 3.688 4.264 -0.000) 5.638 29.238 ( -3.116 -0.921 0.000) 3.249 29.786 ( 1.418 1.173 -0.000) 1.840 29.913 ( -0.595 -3.213 -0.000) 3.268 30.048 ( -3.131 1.930 0.000) 3.678 30.076 ( -0.044 -1.886 -0.000) 1.887 42.632 ( 1.752 2.354 -0.000) 2.934 42.762 ( -0.456 -1.524 -0.000) 1.591 43.229 ( 1.970 1.909 -0.000) 2.743 43.249 ( -1.483 1.789 0.000) 2.324 43.302 ( 0.050 -1.589 -0.000) 1.589 43.320 ( 0.786 -0.517 -0.000) 0.941 50.309 ( 1.271 1.383 -0.000) 1.878 50.378 ( 0.338 1.043 0.000) 1.096 50.425 ( -1.088 -1.838 0.000) 2.135 50.468 ( -1.374 -1.413 0.000) 1.970 85.759 ( 4.780 5.465 -0.000) 7.260 85.804 ( -3.494 2.744 0.000) 4.442 85.853 ( 2.340 -1.916 -0.000) 3.025 86.086 ( -3.742 0.374 0.000) 3.761 86.474 ( 13.201 10.078 -0.000) 16.608 87.966 ( -22.324 -26.260 0.000) 34.467 95.176 ( 2.251 2.041 -0.000) 3.039 95.328 ( 0.801 0.855 -0.000) 1.171 95.574 ( -7.971 -5.387 0.000) 9.620 95.765 ( -7.728 -9.543 0.000) 12.280 97.098 ( 8.776 4.871 -0.000) 10.038 97.336 ( -5.557 8.654 0.000) 10.285 97.401 ( 8.569 -1.549 -0.000) 8.708 97.788 ( -3.296 -3.919 0.000) 5.121 98.946 ( 10.030 8.253 -0.000) 12.989 99.303 ( 0.664 2.627 0.000) 2.710 ======================= Grid point 14 (12/86) ======================= q-point: ( 0.00 -0.75 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -8.019 9.372 1.454) 12.420 1.892 ( 1.981 6.419 0.858) 6.772 1.931 ( 2.526 6.795 0.570) 7.272 2.077 ( -0.494 -6.872 -0.591) 6.915 2.169 ( 1.330 3.262 -2.873) 4.545 2.190 ( -0.942 -7.902 -3.016) 8.510 2.288 ( -1.470 -1.647 -0.774) 2.339 2.347 ( -0.233 -2.289 -0.291) 2.320 2.480 ( 3.298 -3.140 4.045) 6.091 2.559 ( -0.470 2.737 0.129) 2.780 2.591 ( -0.975 -3.601 1.264) 3.939 2.723 ( 6.266 0.083 -2.077) 6.601 2.994 ( 4.419 -4.679 1.402) 6.587 3.016 ( 5.256 -5.996 2.117) 8.250 3.111 ( 2.215 -8.540 -3.149) 9.368 3.226 ( 2.524 0.495 -6.321) 6.824 3.420 ( -4.759 3.960 0.934) 6.261 3.599 ( 4.079 7.136 6.687) 10.596 3.657 ( -8.569 -1.144 4.069) 9.555 4.201 ( 7.919 -4.909 -3.945) 10.118 4.992 ( -6.274 6.286 -0.081) 8.882 5.112 ( -4.942 3.703 0.539) 6.199 6.483 ( 0.927 -3.523 1.067) 3.796 6.508 ( 3.830 -2.232 -1.606) 4.715 6.561 ( 1.491 -2.036 -0.358) 2.549 6.598 ( 2.248 -2.676 -0.068) 3.496 7.267 ( -4.062 4.224 0.303) 5.868 7.355 ( -0.410 0.661 0.546) 0.950 9.420 ( 1.734 2.793 -0.031) 3.288 9.613 ( -0.033 -4.980 0.576) 5.014 10.840 ( -1.875 -1.283 -0.296) 2.291 10.953 ( 2.427 -1.281 -0.272) 2.758 11.226 ( -5.330 6.776 0.065) 8.621 11.356 ( -5.641 1.604 -0.301) 5.873 11.396 ( -1.257 4.827 0.592) 5.023 11.569 ( 1.642 0.667 -0.679) 1.898 12.429 ( 0.241 2.117 0.402) 2.168 12.476 ( 1.042 -0.927 0.519) 1.488 12.645 ( -0.644 -6.913 -0.230) 6.947 12.692 ( 5.114 -2.862 -0.258) 5.866 12.834 ( 0.606 0.338 -0.269) 0.744 12.872 ( 1.046 0.185 0.463) 1.159 23.135 ( -0.946 1.655 -4.405) 4.800 23.297 ( 2.316 -2.876 3.903) 5.373 24.252 ( -4.076 3.244 0.312) 5.219 24.290 ( -3.063 4.213 3.010) 6.016 24.670 ( 1.119 -1.838 -2.510) 3.306 24.701 ( 1.328 -1.006 -0.269) 1.687 27.986 ( -0.059 3.744 -4.136) 5.579 28.208 ( -1.383 -6.767 2.254) 7.265 28.726 ( -0.339 2.612 1.469) 3.016 28.796 ( -0.831 0.728 5.559) 5.668 29.032 ( -1.217 4.605 -3.460) 5.887 29.075 ( -2.192 0.698 -2.273) 3.234 29.894 ( 2.127 -0.879 0.461) 2.348 29.938 ( 0.892 -3.575 2.036) 4.210 29.993 ( 1.227 -0.494 -0.523) 1.422 30.113 ( 2.836 -1.647 -1.842) 3.762 42.678 ( 0.100 1.433 -1.001) 1.750 42.738 ( -0.224 -1.718 0.519) 1.808 43.194 ( -1.018 2.853 0.060) 3.029 43.281 ( -1.528 -0.622 0.037) 1.651 43.307 ( 0.204 -0.222 0.244) 0.388 43.309 ( 0.506 0.122 -0.000) 0.521 50.277 ( -2.370 2.444 -0.326) 3.420 50.320 ( -1.312 1.439 1.890) 2.714 50.472 ( 1.770 -1.890 -1.752) 3.126 50.510 ( 2.704 -2.770 0.172) 3.875 85.695 ( -2.328 3.790 0.807) 4.520 85.801 ( -0.216 2.660 0.656) 2.748 85.912 ( -2.741 -2.465 -1.773) 4.090 86.073 ( 3.826 3.091 0.109) 4.920 86.906 ( -6.988 -2.229 -12.676) 14.645 87.436 ( 11.450 -7.954 14.769) 20.310 95.221 ( -2.165 0.990 -1.261) 2.694 95.277 ( -0.129 1.765 1.407) 2.261 95.603 ( 7.388 -3.686 -0.716) 8.288 95.678 ( 4.074 -8.022 1.617) 9.142 97.096 ( -4.372 2.197 -0.287) 4.902 97.429 ( 4.694 8.792 -1.585) 10.092 97.494 ( -8.092 -2.971 -2.023) 8.854 97.694 ( 4.499 -5.548 2.087) 7.442 99.055 ( -6.945 7.146 -3.762) 10.651 99.206 ( -3.464 3.974 3.789) 6.492 ======================= Grid point 15 (13/86) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 5.215 9.120 -4.772) 11.539 1.485 ( -11.685 9.587 -6.760) 16.557 1.731 ( -3.478 -11.897 -2.015) 12.558 1.987 ( -1.831 5.231 -2.153) 5.946 2.177 ( -3.839 -3.687 -1.102) 5.436 2.302 ( 2.936 2.149 0.673) 3.700 2.379 ( 0.585 -3.064 2.125) 3.775 2.460 ( 3.656 1.277 1.839) 4.287 2.610 ( 0.109 -0.118 1.253) 1.263 2.688 ( 5.622 3.356 3.832) 7.586 2.755 ( 5.123 10.795 1.795) 12.083 2.835 ( 3.388 -1.491 -1.968) 4.192 3.010 ( 1.894 3.052 -0.009) 3.592 3.032 ( 0.315 -0.450 -1.513) 1.610 3.218 ( 0.716 2.779 -1.575) 3.273 3.256 ( -4.461 4.644 4.794) 8.028 3.497 ( 5.526 1.522 -4.789) 7.469 3.760 ( 3.408 -4.563 3.902) 6.904 3.882 ( 0.783 12.353 1.860) 12.517 4.112 ( -4.163 4.167 -0.406) 5.904 4.722 ( -1.239 -3.961 -3.068) 5.161 4.941 ( -4.469 -7.117 3.382) 9.059 6.471 ( -0.216 -1.799 -0.282) 1.834 6.523 ( -1.481 -3.163 -1.144) 3.675 6.691 ( 4.106 -3.268 -0.761) 5.303 6.861 ( 5.930 -6.148 -0.766) 8.575 7.096 ( -4.330 1.567 2.756) 5.366 7.361 ( 0.291 -8.819 3.540) 9.507 9.432 ( 0.788 1.076 -2.346) 2.699 9.789 ( 3.540 6.511 5.954) 9.507 10.866 ( 2.301 -0.951 0.217) 2.499 11.011 ( 1.359 -1.625 0.225) 2.130 11.075 ( 0.478 0.907 -0.189) 1.043 11.112 ( -3.640 0.967 -2.169) 4.346 11.250 ( -5.046 1.681 0.249) 5.324 11.412 ( -7.489 -2.723 -3.131) 8.562 12.457 ( 0.267 1.795 -0.196) 1.825 12.573 ( 1.914 0.595 -1.934) 2.785 12.666 ( -0.668 0.402 2.632) 2.745 12.757 ( 2.193 1.940 0.740) 3.020 12.864 ( -0.264 0.549 -0.694) 0.923 13.029 ( 3.618 1.515 0.773) 3.997 22.962 ( -1.357 1.472 -4.689) 5.098 23.528 ( 3.093 -3.114 3.968) 5.917 24.038 ( -4.459 -0.878 0.934) 4.640 24.332 ( 0.022 5.115 4.370) 6.728 24.592 ( -0.620 -5.357 -2.591) 5.983 24.737 ( 0.094 -1.291 -1.163) 1.740 27.771 ( -1.535 0.615 -6.948) 7.142 28.436 ( 5.269 -2.016 8.846) 10.492 28.609 ( -7.217 2.344 -5.041) 9.110 28.826 ( -1.628 1.492 -0.422) 2.248 28.872 ( -0.499 0.242 6.233) 6.257 29.026 ( -0.626 1.626 0.114) 1.746 29.960 ( 1.444 -0.062 -1.357) 1.983 30.003 ( 0.870 2.349 -0.315) 2.525 30.055 ( 1.533 -2.749 -0.995) 3.301 30.198 ( 2.356 -0.816 -2.576) 3.585 42.608 ( -0.885 0.097 -2.339) 2.502 42.775 ( 0.537 -1.197 1.019) 1.661 43.141 ( -1.498 2.252 -0.180) 2.710 43.201 ( -1.037 -1.498 -0.420) 1.870 43.305 ( -0.105 1.018 1.725) 2.006 43.354 ( 0.491 0.261 -0.571) 0.797 50.211 ( -0.896 2.190 0.792) 2.495 50.313 ( -0.756 -1.912 1.939) 2.826 50.507 ( 1.259 1.321 -1.741) 2.522 50.592 ( 1.335 -2.439 -0.948) 2.937 85.620 ( -0.860 3.787 -1.935) 4.338 85.782 ( 0.584 4.873 -0.261) 4.915 85.811 ( -2.152 -3.582 -1.182) 4.342 86.090 ( -1.739 -1.554 -0.092) 2.334 86.426 ( -1.257 5.164 -8.233) 9.800 88.468 ( 12.905 -0.317 21.709) 25.257 95.127 ( -0.973 2.212 -0.778) 2.539 95.305 ( 0.135 6.104 0.449) 6.122 95.862 ( 5.369 -14.451 2.324) 15.590 96.152 ( 11.121 -5.612 0.824) 12.484 97.058 ( 5.048 -3.045 -0.848) 5.956 97.183 ( 0.604 -2.891 -4.795) 5.631 97.346 ( -7.841 5.079 1.313) 9.434 97.676 ( -10.787 -6.042 -4.694) 13.224 98.605 ( -6.587 7.108 0.300) 9.696 99.089 ( -3.662 7.875 1.610) 8.833 ======================= Grid point 16 (14/86) ======================= q-point: ( 0.00 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 2.806 14.058 2.336) 14.524 1.446 ( 10.487 12.702 -9.631) 19.080 1.806 ( -0.778 -0.786 3.811) 3.968 1.865 ( -3.587 6.268 -1.717) 7.423 2.033 ( 5.486 -11.466 -1.817) 12.840 2.362 ( 0.690 -0.441 -0.287) 0.867 2.441 ( -0.805 -1.963 1.381) 2.531 2.496 ( -0.630 -1.759 -1.886) 2.655 2.567 ( -4.505 -1.233 1.430) 4.885 2.722 ( -7.316 13.116 -0.540) 15.029 2.801 ( -3.669 0.590 1.381) 3.965 2.880 ( -0.850 -2.189 2.164) 3.193 3.076 ( -6.545 6.207 3.015) 9.511 3.151 ( 3.156 4.127 0.681) 5.239 3.181 ( -0.376 -1.999 1.438) 2.491 3.315 ( -2.825 -1.569 -2.910) 4.349 3.359 ( -1.999 3.378 -0.354) 3.941 3.582 ( 7.650 3.227 -1.366) 8.415 4.057 ( -0.872 1.751 -0.841) 2.129 4.122 ( -3.685 8.403 4.633) 10.279 4.752 ( 4.471 -0.259 -0.928) 4.574 4.927 ( 2.568 -11.893 0.543) 12.180 6.504 ( 0.470 -3.211 0.055) 3.246 6.523 ( 1.318 -1.443 -0.607) 2.046 6.675 ( -3.191 -7.062 -1.250) 7.850 6.737 ( -5.718 0.408 -1.561) 5.941 7.143 ( 3.247 -2.224 1.935) 4.385 7.432 ( -2.844 -11.510 2.388) 12.094 9.451 ( 0.133 2.390 1.135) 2.649 9.809 ( -5.994 2.813 0.763) 6.665 10.825 ( -2.381 -0.644 -1.256) 2.768 11.009 ( -2.161 -1.462 0.393) 2.639 11.067 ( 0.835 1.111 -1.005) 1.715 11.188 ( 3.880 -0.356 1.262) 4.095 11.239 ( 4.608 3.408 -0.554) 5.758 11.337 ( 9.036 0.232 -1.255) 9.125 12.459 ( -0.567 2.064 1.077) 2.396 12.578 ( 0.306 2.257 -1.340) 2.642 12.621 ( -1.571 0.175 -0.002) 1.580 12.800 ( -2.473 -1.842 -0.442) 3.115 12.877 ( 1.104 1.916 0.799) 2.351 13.032 ( -3.777 1.096 0.435) 3.956 22.896 ( 1.563 3.992 -2.583) 5.005 23.587 ( -3.418 -5.221 2.412) 6.691 24.056 ( 4.802 -1.788 0.636) 5.164 24.403 ( -0.345 3.901 3.921) 5.542 24.554 ( 0.698 -5.558 -2.560) 6.159 24.708 ( -0.214 -0.024 -0.876) 0.903 27.675 ( 2.364 5.613 -4.759) 7.730 28.292 ( -1.234 -2.126 -1.583) 2.924 28.772 ( 1.373 -0.160 -2.357) 2.733 28.800 ( 3.329 1.197 2.703) 4.452 28.924 ( -3.070 -1.656 2.374) 4.219 29.152 ( 2.913 -1.514 9.391) 9.949 29.888 ( -1.643 1.729 -7.899) 8.252 29.953 ( -0.929 0.217 -0.139) 0.964 30.089 ( -0.742 0.106 1.285) 1.488 30.174 ( -1.806 1.439 -0.855) 2.463 42.575 ( 1.097 1.606 -1.189) 2.279 42.781 ( -0.533 -1.425 -0.056) 1.522 43.139 ( 1.456 1.940 0.862) 2.574 43.227 ( 2.053 -1.410 -0.047) 2.491 43.317 ( -0.315 -0.236 -0.203) 0.443 43.327 ( -1.058 1.226 -0.326) 1.652 50.235 ( 0.881 1.241 1.581) 2.194 50.332 ( 0.932 -2.900 -0.084) 3.047 50.492 ( -1.454 2.249 0.491) 2.723 50.565 ( -1.327 -1.456 -1.832) 2.690 85.592 ( 2.061 5.411 -1.396) 5.956 85.765 ( 1.825 -1.371 -0.550) 2.348 85.902 ( 1.132 5.794 2.727) 6.503 86.025 ( -0.885 -2.527 3.528) 4.429 86.366 ( 3.136 6.514 -10.367) 12.639 88.722 ( -17.917 -15.223 14.543) 27.645 95.114 ( 0.949 2.613 -0.677) 2.862 95.305 ( -0.122 5.254 0.462) 5.276 95.932 ( -6.586 -15.917 2.639) 17.426 96.208 ( -11.223 -7.099 4.456) 14.007 96.947 ( -3.922 -0.604 -7.973) 8.906 97.149 ( 0.915 1.115 0.221) 1.459 97.351 ( 6.795 3.340 -2.216) 7.889 97.623 ( 14.397 -2.074 -1.807) 14.658 98.563 ( 3.672 7.477 0.134) 8.331 99.149 ( 4.462 6.248 1.709) 7.866 ======================= Grid point 17 (15/86) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 11.863 -11.134 -0.000) 16.270 1.777 ( -11.863 11.134 0.000) 16.270 1.963 ( 0.560 -1.030 -0.000) 1.173 1.963 ( -0.560 1.030 0.000) 1.173 2.075 ( -0.571 -12.732 -0.000) 12.745 2.075 ( 0.571 12.732 0.000) 12.745 2.359 ( -4.097 -0.914 0.000) 4.198 2.359 ( 4.097 0.914 -0.000) 4.198 2.430 ( 2.417 -5.593 -0.000) 6.093 2.430 ( -2.417 5.593 0.000) 6.093 2.686 ( -5.982 -1.963 0.000) 6.295 2.686 ( 5.982 1.963 -0.000) 6.295 2.742 ( 2.146 -1.706 -0.000) 2.741 2.742 ( -2.146 1.706 0.000) 2.741 3.237 ( -11.191 -6.764 0.000) 13.077 3.237 ( 11.191 6.764 -0.000) 13.077 3.548 ( -5.550 -2.840 0.000) 6.234 3.548 ( 5.550 2.840 -0.000) 6.234 3.889 ( 10.899 -6.305 -0.000) 12.591 3.889 ( -10.899 6.305 0.000) 12.591 5.176 ( 0.351 -3.116 -0.000) 3.136 5.176 ( -0.351 3.116 0.000) 3.136 6.443 ( -0.060 -0.886 -0.000) 0.888 6.443 ( 0.060 0.886 0.000) 0.888 6.543 ( 0.231 -0.816 -0.000) 0.848 6.543 ( -0.231 0.816 0.000) 0.848 7.363 ( 0.441 -0.793 -0.000) 0.907 7.363 ( -0.441 0.793 0.000) 0.907 9.489 ( -0.198 -5.899 -0.000) 5.903 9.489 ( 0.198 5.899 0.000) 5.903 10.886 ( -3.330 -0.127 0.000) 3.332 10.886 ( 3.330 0.127 -0.000) 3.332 11.448 ( -3.672 -2.741 0.000) 4.582 11.448 ( 3.672 2.741 -0.000) 4.582 11.469 ( 5.366 -4.247 -0.000) 6.843 11.469 ( -5.366 4.247 0.000) 6.843 12.460 ( -1.864 -2.513 0.000) 3.128 12.460 ( 1.864 2.513 -0.000) 3.128 12.555 ( -2.748 -1.688 0.000) 3.225 12.555 ( 2.748 1.688 -0.000) 3.225 12.855 ( -0.839 -0.160 0.000) 0.854 12.855 ( 0.839 0.160 -0.000) 0.854 23.204 ( -5.258 -5.660 0.000) 7.725 23.204 ( 5.258 5.660 -0.000) 7.725 24.351 ( -3.025 -2.778 0.000) 4.107 24.351 ( 3.025 2.778 -0.000) 4.107 24.662 ( -2.798 -2.875 0.000) 4.012 24.662 ( 2.798 2.875 -0.000) 4.012 28.096 ( -5.032 -9.181 0.000) 10.470 28.096 ( 5.032 9.181 -0.000) 10.470 28.753 ( -0.026 -1.190 -0.000) 1.190 28.753 ( 0.026 1.190 0.000) 1.190 29.134 ( -3.095 -3.520 0.000) 4.688 29.134 ( 3.095 3.520 -0.000) 4.688 29.839 ( -1.147 -1.980 0.000) 2.288 29.839 ( 1.147 1.980 -0.000) 2.288 30.042 ( 1.512 -2.425 -0.000) 2.858 30.042 ( -1.512 2.425 0.000) 2.858 42.709 ( -1.098 -2.230 0.000) 2.486 42.709 ( 1.098 2.230 -0.000) 2.486 43.262 ( 0.886 -1.741 -0.000) 1.954 43.262 ( -0.886 1.741 0.000) 1.954 43.303 ( -0.779 -1.020 0.000) 1.283 43.303 ( 0.779 1.020 -0.000) 1.283 50.366 ( -1.533 -1.361 0.000) 2.050 50.366 ( 1.533 1.361 -0.000) 2.050 50.415 ( -1.256 -1.003 0.000) 1.608 50.415 ( 1.256 1.003 -0.000) 1.608 85.802 ( 1.146 -1.968 -0.000) 2.277 85.802 ( -1.146 1.968 0.000) 2.277 85.984 ( -6.387 -1.049 0.000) 6.473 85.984 ( 6.387 1.049 -0.000) 6.473 87.080 ( -19.037 -18.496 0.000) 26.542 87.080 ( 19.037 18.496 -0.000) 26.542 95.267 ( -2.795 -2.371 0.000) 3.665 95.267 ( 2.795 2.371 -0.000) 3.665 95.531 ( -2.335 -3.936 0.000) 4.576 95.531 ( 2.335 3.936 -0.000) 4.576 97.327 ( -9.975 4.131 0.000) 10.796 97.327 ( 9.975 -4.131 -0.000) 10.796 97.570 ( -5.964 -5.286 0.000) 7.969 97.570 ( 5.964 5.286 -0.000) 7.969 99.239 ( -5.097 -4.415 0.000) 6.743 99.239 ( 5.097 4.415 -0.000) 6.743 ======================= Grid point 19 (16/86) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -2.991 3.939 -2.415) 5.504 1.692 ( -6.244 -4.533 -2.398) 8.080 1.888 ( -6.966 -5.880 3.604) 9.802 2.009 ( -3.382 -1.836 -0.351) 3.864 2.083 ( -2.851 -7.044 -0.129) 7.600 2.298 ( 4.979 4.485 0.506) 6.720 2.360 ( 1.648 3.975 -2.441) 4.947 2.416 ( 3.802 1.470 1.155) 4.236 2.501 ( 1.739 -1.736 3.993) 4.688 2.651 ( 6.686 4.428 -0.369) 8.028 2.775 ( 9.274 1.689 -3.606) 10.093 2.843 ( 6.313 -5.169 -2.123) 8.431 2.919 ( 1.372 5.189 -0.394) 5.381 3.043 ( 6.707 -0.074 4.915) 8.316 3.093 ( 9.725 -6.114 1.259) 11.556 3.283 ( -4.017 2.545 -3.496) 5.902 3.415 ( -1.514 -1.869 0.750) 2.520 3.598 ( 0.453 4.875 -4.650) 6.753 3.884 ( 6.251 7.873 7.869) 12.766 4.212 ( 5.420 -7.593 -4.753) 10.470 4.880 ( -10.925 2.864 -1.836) 11.443 4.999 ( -8.565 -1.091 2.516) 8.993 6.454 ( 0.507 0.535 0.277) 0.787 6.520 ( 3.826 -2.809 1.349) 4.935 6.540 ( -0.608 0.439 -1.122) 1.350 6.642 ( 4.904 -0.665 0.838) 5.020 7.255 ( -4.698 0.736 -1.217) 4.909 7.306 ( -3.110 1.472 1.087) 3.609 9.475 ( 0.954 -0.940 -3.346) 3.604 9.661 ( 6.257 2.394 3.758) 7.681 10.794 ( 0.022 -0.643 1.372) 1.516 10.958 ( 1.016 -0.545 -0.105) 1.157 11.175 ( -6.363 0.266 -0.923) 6.435 11.259 ( -4.586 0.951 -1.048) 4.800 11.393 ( -6.186 1.141 1.253) 6.414 11.511 ( -3.634 -3.345 -1.346) 5.119 12.493 ( 0.041 -0.965 -1.596) 1.865 12.536 ( 4.226 0.446 -0.624) 4.295 12.595 ( 1.480 1.918 3.062) 3.905 12.719 ( 2.596 -1.105 0.577) 2.880 12.882 ( 1.632 0.483 -1.282) 2.131 12.929 ( 5.049 0.363 0.190) 5.066 23.029 ( -3.099 -4.152 -0.132) 5.182 23.416 ( 4.756 3.566 -0.199) 5.948 24.145 ( -6.507 1.048 0.353) 6.600 24.401 ( -0.421 5.551 0.989) 5.654 24.553 ( -1.566 -4.463 -0.936) 4.822 24.724 ( 0.313 -1.020 -0.297) 1.108 27.867 ( -4.625 -5.855 -0.730) 7.497 28.217 ( 1.555 2.737 2.849) 4.246 28.783 ( -0.456 -0.159 3.821) 3.851 28.807 ( 1.564 3.533 -0.599) 3.910 28.944 ( -5.438 -1.691 -1.678) 5.937 29.133 ( -0.635 3.527 -5.187) 6.305 29.898 ( 2.380 -3.358 2.528) 4.830 29.929 ( 1.748 -0.225 1.511) 2.321 30.042 ( 1.619 1.693 -1.132) 2.602 30.150 ( 3.551 -1.582 -1.314) 4.104 42.643 ( -1.755 -1.949 -0.309) 2.641 42.744 ( 0.644 1.076 0.454) 1.333 43.211 ( -1.653 -1.250 -1.485) 2.550 43.236 ( -1.946 1.807 -0.197) 2.663 43.289 ( -0.136 0.781 1.934) 2.090 43.335 ( 1.200 -0.993 -0.218) 1.573 50.276 ( -1.748 0.600 -0.104) 1.851 50.306 ( -1.716 1.729 -0.011) 2.436 50.500 ( 2.459 -1.379 0.099) 2.821 50.510 ( 2.226 -0.895 -0.043) 2.400 85.732 ( -2.747 1.887 0.109) 3.335 85.778 ( -1.933 -3.539 -1.732) 4.388 85.875 ( 1.665 3.225 0.766) 3.709 86.100 ( -1.829 -3.100 -3.159) 4.789 86.568 ( -6.028 -6.792 3.223) 9.636 87.976 ( 23.714 13.296 0.711) 27.196 95.175 ( -1.686 -0.790 0.220) 1.875 95.365 ( 1.886 0.046 -0.215) 1.898 95.605 ( 4.860 1.435 -0.644) 5.108 95.847 ( 12.778 2.163 0.140) 12.960 97.004 ( -4.731 -1.576 0.812) 5.052 97.251 ( -5.935 -2.653 -2.096) 6.831 97.548 ( -5.645 -2.033 2.156) 6.375 97.708 ( 2.276 2.142 -0.552) 3.173 98.838 ( -12.346 -3.271 0.243) 12.775 99.259 ( -2.933 2.866 -0.339) 4.115 ======================= Grid point 35 (17/86) ======================= q-point: ( 0.06 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -18.888 -0.184 0.000) 18.889 0.473 ( -22.370 -0.725 0.000) 22.382 0.753 ( -35.955 0.211 0.000) 35.956 2.245 ( 2.625 -0.186 -0.000) 2.632 2.330 ( 8.684 1.289 -0.000) 8.779 2.481 ( 1.505 5.352 0.000) 5.559 2.527 ( 1.718 2.699 -0.000) 3.200 2.578 ( -4.572 -8.659 0.000) 9.792 2.615 ( -8.254 -8.330 0.000) 11.727 2.626 ( 4.344 -0.273 -0.000) 4.352 2.732 ( -2.605 5.709 0.000) 6.275 2.754 ( -6.238 8.553 0.000) 10.586 2.921 ( 8.832 -3.332 -0.000) 9.440 2.921 ( -6.143 -2.682 0.000) 6.703 3.159 ( 7.585 -1.550 -0.000) 7.742 3.197 ( -2.224 -0.942 0.000) 2.415 3.298 ( -0.030 2.425 0.000) 2.425 3.354 ( -1.689 0.730 0.000) 1.840 3.616 ( -13.292 0.804 0.000) 13.317 3.737 ( -13.437 -0.596 0.000) 13.450 4.827 ( 2.502 0.096 -0.000) 2.504 5.494 ( 8.418 -0.073 -0.000) 8.418 6.629 ( 3.588 0.074 -0.000) 3.589 6.683 ( 5.224 1.544 -0.000) 5.447 6.740 ( 0.059 -1.433 -0.000) 1.434 7.080 ( 6.215 -0.263 -0.000) 6.221 7.369 ( 3.109 -0.117 -0.000) 3.111 8.363 ( 19.822 -0.871 -0.000) 19.841 9.343 ( -1.503 0.156 0.000) 1.511 9.538 ( -13.976 -0.638 0.000) 13.991 10.919 ( -0.230 -0.217 0.000) 0.316 10.924 ( -1.081 0.010 0.000) 1.081 10.992 ( -1.113 2.060 0.000) 2.341 11.139 ( 0.390 -1.014 -0.000) 1.086 11.143 ( 0.044 0.877 0.000) 0.878 11.310 ( 2.799 -1.389 -0.000) 3.125 12.419 ( -0.974 -0.801 0.000) 1.261 12.443 ( -1.761 0.057 0.000) 1.762 12.471 ( -5.190 0.913 0.000) 5.270 12.771 ( -0.859 0.132 0.000) 0.869 12.907 ( 1.182 0.013 -0.000) 1.182 12.949 ( -2.771 -0.061 0.000) 2.772 22.722 ( -1.686 0.010 0.000) 1.686 23.947 ( 7.913 0.308 -0.000) 7.919 24.090 ( 1.429 0.154 -0.000) 1.438 24.266 ( -5.912 -0.568 0.000) 5.940 24.727 ( 3.121 0.255 -0.000) 3.131 24.748 ( 1.095 -0.253 -0.000) 1.124 27.376 ( -3.006 0.004 0.000) 3.006 28.376 ( 0.811 -1.598 -0.000) 1.792 28.743 ( 0.402 0.317 -0.000) 0.512 28.757 ( -0.857 -0.255 0.000) 0.894 29.043 ( -0.284 -0.834 -0.000) 0.881 29.499 ( 8.081 2.600 -0.000) 8.489 29.579 ( -3.478 -0.034 0.000) 3.478 29.858 ( -5.141 0.140 0.000) 5.143 30.062 ( -1.381 -0.111 0.000) 1.386 30.109 ( -0.150 -0.009 0.000) 0.150 42.501 ( -0.564 -0.076 0.000) 0.569 42.830 ( 0.647 -0.023 -0.000) 0.647 43.064 ( -0.962 0.116 0.000) 0.969 43.240 ( 0.634 0.331 -0.000) 0.715 43.262 ( -1.412 -0.295 0.000) 1.442 43.345 ( 0.180 -0.158 -0.000) 0.240 50.227 ( -0.422 0.002 0.000) 0.422 50.344 ( -0.065 0.007 0.000) 0.066 50.541 ( 0.835 -0.007 -0.000) 0.835 50.570 ( 0.476 0.012 -0.000) 0.476 85.359 ( -2.501 0.036 0.000) 2.501 85.725 ( -0.488 -0.405 0.000) 0.634 85.753 ( -1.778 1.834 0.000) 2.554 85.793 ( -6.999 0.281 0.000) 7.005 86.262 ( 2.849 0.387 -0.000) 2.875 89.854 ( 10.226 -2.416 -0.000) 10.508 94.984 ( -1.884 -0.001 0.000) 1.884 95.167 ( -1.565 0.001 0.000) 1.565 96.720 ( -0.889 0.392 0.000) 0.972 96.864 ( 18.452 1.414 -0.000) 18.506 97.091 ( 12.879 -0.625 -0.000) 12.895 97.098 ( -1.515 -2.318 0.000) 2.769 97.165 ( 3.091 1.492 -0.000) 3.432 97.409 ( 1.791 0.553 -0.000) 1.875 98.052 ( -16.529 -0.873 0.000) 16.552 98.597 ( -14.057 0.343 0.000) 14.062 ======================= Grid point 36 (18/86) ======================= q-point: ( 0.06 0.19 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 10.957 1.571 18.269) 21.360 0.640 ( 16.428 -0.732 15.574) 22.648 0.915 ( 28.287 -0.184 16.141) 32.569 2.205 ( -5.898 0.333 -4.273) 7.291 2.313 ( -4.128 -1.943 -1.589) 4.831 2.429 ( 2.404 -0.436 -5.520) 6.037 2.477 ( 5.974 -0.355 -6.945) 9.168 2.510 ( 0.250 2.372 -2.779) 3.662 2.606 ( -3.105 3.200 0.436) 4.480 2.656 ( 1.130 -0.164 1.236) 1.683 2.730 ( 3.847 3.623 -0.672) 5.327 2.744 ( 5.365 -11.628 -1.013) 12.845 2.922 ( -4.365 4.201 0.292) 6.065 2.936 ( 4.088 -0.285 1.275) 4.291 3.099 ( -0.569 5.068 -5.405) 7.432 3.180 ( -3.721 -4.036 -0.064) 5.490 3.342 ( 0.387 1.494 -0.895) 1.784 3.395 ( 1.017 -2.040 6.530) 6.916 3.587 ( 11.794 -0.421 -2.802) 12.129 3.744 ( 13.471 0.462 0.497) 13.488 4.845 ( -2.559 -0.105 2.037) 3.273 5.453 ( -8.052 0.092 -4.277) 9.118 6.627 ( -3.490 -0.780 -0.247) 3.585 6.692 ( -4.912 -0.491 0.749) 4.993 6.746 ( -0.367 1.060 0.669) 1.306 7.101 ( -1.454 0.974 -2.371) 2.947 7.177 ( 8.775 -0.569 -11.184) 14.227 7.968 ( 2.490 0.295 -19.052) 19.216 9.347 ( 1.471 -0.064 0.427) 1.533 9.449 ( 10.790 0.146 -3.034) 11.209 10.900 ( -0.736 1.304 0.364) 1.541 10.940 ( 2.864 -1.435 0.038) 3.204 11.125 ( -1.893 -0.756 0.168) 2.045 11.140 ( -0.226 0.541 -0.210) 0.623 11.312 ( -6.984 -6.790 5.939) 11.408 11.339 ( -9.752 7.201 10.148) 15.809 12.412 ( 0.708 0.623 -0.394) 1.023 12.460 ( 3.593 -0.069 0.548) 3.635 12.477 ( 3.781 -0.634 1.660) 4.178 12.766 ( 0.643 -0.146 -0.600) 0.891 12.888 ( -0.805 -0.112 -2.001) 2.160 12.940 ( 3.289 0.155 -1.580) 3.652 22.765 ( 1.534 -0.003 4.601) 4.850 23.899 ( -7.211 -0.145 -5.028) 8.792 24.071 ( -0.939 -0.112 -1.724) 1.967 24.202 ( 6.994 0.310 -5.150) 8.691 24.751 ( -3.303 -0.231 2.393) 4.085 24.771 ( -1.310 0.232 2.391) 2.736 27.555 ( -4.202 -0.096 14.656) 15.246 28.378 ( -0.328 1.835 0.153) 1.870 28.718 ( 3.077 -1.902 -7.336) 8.180 28.759 ( 0.440 0.330 0.687) 0.880 28.850 ( 14.811 0.549 -17.219) 22.720 29.005 ( 1.188 -0.487 -4.385) 4.570 29.831 ( 3.705 0.044 1.020) 3.843 29.996 ( -0.430 -0.260 -2.482) 2.532 30.157 ( -2.469 0.012 5.219) 5.773 30.230 ( -13.295 -0.135 15.467) 20.396 42.528 ( 0.358 0.043 2.926) 2.948 42.893 ( -5.679 -0.005 3.596) 6.722 43.057 ( 1.037 -0.027 -0.624) 1.210 43.241 ( -0.460 -0.638 -0.168) 0.805 43.261 ( 1.178 0.581 -0.139) 1.321 43.319 ( 2.226 0.096 -2.092) 3.056 50.183 ( 0.569 -0.002 -3.060) 3.113 50.404 ( -0.622 -0.014 4.732) 4.773 50.456 ( 0.035 0.013 -5.169) 5.169 50.636 ( -0.980 -0.004 3.574) 3.705 85.475 ( -3.943 0.223 7.413) 8.400 85.650 ( 2.477 -1.189 -4.662) 5.411 85.790 ( 1.993 4.335 3.148) 5.716 85.855 ( 3.510 -4.340 4.903) 7.429 86.310 ( -2.525 -0.618 5.152) 5.771 88.734 ( 49.017 1.683 -69.512) 85.074 94.991 ( 1.764 -0.002 0.845) 1.956 95.160 ( 1.596 0.022 -0.698) 1.742 96.670 ( -18.454 1.034 -1.850) 18.576 96.868 ( -18.900 -1.570 1.431) 19.019 97.076 ( 1.268 0.687 -1.448) 2.044 97.162 ( 0.687 -0.965 1.477) 1.893 97.426 ( -1.158 -0.710 1.864) 2.306 97.616 ( -11.131 1.169 26.575) 28.836 98.005 ( 8.933 0.398 -3.922) 9.764 98.580 ( 13.726 -0.208 -1.915) 13.860 ======================= Grid point 37 (19/86) ======================= q-point: ( 0.06 0.44 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 10.481 8.398 5.764) 14.615 1.436 ( 9.903 -9.443 9.330) 16.561 1.695 ( -7.520 0.643 -4.202) 8.639 1.953 ( 2.375 1.191 2.025) 3.341 2.084 ( -6.475 4.260 2.495) 8.143 2.342 ( -1.461 -1.344 0.128) 1.989 2.404 ( 0.352 -1.629 -1.740) 2.409 2.505 ( -1.366 -1.285 -0.725) 2.010 2.590 ( 1.429 2.237 -2.269) 3.492 2.767 ( 3.065 -1.432 -1.349) 3.642 2.825 ( 5.227 -0.903 -5.610) 7.721 2.920 ( 2.212 3.020 1.832) 4.168 2.954 ( 3.859 -5.033 -0.991) 6.419 3.089 ( 4.695 2.408 -2.408) 5.800 3.153 ( 2.442 -1.204 -0.812) 2.842 3.314 ( 6.772 -4.881 0.904) 8.397 3.584 ( 0.710 1.670 6.730) 6.970 3.621 ( 9.831 8.654 4.380) 13.811 3.953 ( 8.196 -4.226 -6.107) 11.060 4.081 ( 3.034 0.198 -3.922) 4.963 4.725 ( -4.450 -0.953 1.774) 4.884 4.886 ( -12.336 0.507 -1.835) 12.482 6.486 ( -1.518 -1.708 0.245) 2.298 6.501 ( -2.813 0.397 0.134) 2.844 6.747 ( -3.208 -0.935 2.872) 4.407 6.890 ( -2.411 3.917 2.753) 5.361 7.056 ( -3.435 -1.261 -2.755) 4.580 7.368 ( -11.715 -0.190 -6.353) 13.328 9.439 ( 1.770 0.234 0.399) 1.830 9.830 ( 8.282 -0.260 -4.092) 9.241 10.891 ( -0.891 0.327 2.194) 2.390 11.045 ( -0.533 0.909 0.406) 1.130 11.079 ( 1.784 -2.463 -1.388) 3.343 11.106 ( 0.025 -0.496 -0.906) 1.034 11.214 ( -2.462 -3.759 2.092) 4.957 11.259 ( -1.969 5.810 2.467) 6.612 12.456 ( 1.363 0.356 0.062) 1.410 12.607 ( 1.939 -0.584 2.264) 3.037 12.631 ( 0.312 1.294 -2.156) 2.534 12.813 ( 2.912 -2.597 -0.814) 3.985 12.853 ( 0.023 0.886 0.711) 1.136 13.063 ( 2.859 0.433 -1.198) 3.130 22.949 ( 1.362 0.028 4.548) 4.748 23.562 ( -3.287 -0.029 -4.109) 5.262 23.989 ( -1.020 -0.040 -0.732) 1.256 24.331 ( 4.747 0.180 -4.333) 6.429 24.588 ( -5.552 -0.267 2.442) 6.071 24.734 ( -1.746 0.196 1.279) 2.173 27.759 ( 0.010 -0.313 6.778) 6.785 28.454 ( 2.078 7.036 6.058) 9.514 28.562 ( -2.073 -7.218 -8.512) 11.352 28.812 ( 1.098 -0.037 0.858) 1.394 28.872 ( 1.312 -0.045 -4.845) 5.020 29.011 ( 1.976 0.629 -2.946) 3.603 29.966 ( 0.827 0.863 -0.454) 1.279 30.022 ( 2.094 -0.840 2.896) 3.671 30.076 ( -2.862 -0.467 1.088) 3.097 30.221 ( -0.770 0.305 1.698) 1.889 42.597 ( -0.017 0.168 2.205) 2.211 42.784 ( -1.489 -0.265 -0.403) 1.565 43.118 ( 2.049 0.627 -0.214) 2.154 43.198 ( -1.591 -0.803 0.212) 1.795 43.305 ( 1.430 -0.052 -1.534) 2.098 43.356 ( 0.337 0.351 0.737) 0.883 50.202 ( 2.181 -0.003 -0.828) 2.333 50.305 ( -2.044 0.010 -1.933) 2.813 50.520 ( 1.413 -0.001 1.717) 2.224 50.606 ( -2.427 -0.011 0.975) 2.616 85.616 ( 3.626 -0.152 2.756) 4.557 85.775 ( -2.552 0.754 1.515) 3.062 85.800 ( 5.921 -0.775 -2.778) 6.586 86.045 ( -2.447 2.525 -0.883) 3.625 86.466 ( 3.441 -4.698 10.170) 11.719 88.579 ( 3.722 2.470 -22.349) 22.791 95.118 ( 2.325 -0.075 0.840) 2.473 95.303 ( 6.634 0.405 -0.590) 6.673 95.916 ( -13.942 0.402 -5.394) 14.955 96.292 ( -8.431 -1.379 3.685) 9.304 97.147 ( 3.146 4.900 -1.698) 6.066 97.196 ( 1.717 -5.996 -4.050) 7.436 97.359 ( -4.570 -2.714 3.766) 6.514 97.402 ( -9.950 3.876 11.206) 15.479 98.536 ( 8.759 0.816 -0.388) 8.806 99.053 ( 8.553 -0.410 -2.271) 8.859 ======================= Grid point 38 (20/86) ======================= q-point: ( 0.06 -0.31 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -15.392 -4.868 -2.756) 16.377 1.277 ( -13.795 5.970 -7.413) 16.760 1.780 ( 10.044 4.579 4.161) 11.797 1.913 ( -12.502 -2.260 -1.850) 12.839 2.042 ( 8.568 -6.036 -2.071) 10.683 2.339 ( 2.421 1.019 -0.119) 2.629 2.430 ( 0.690 1.773 1.137) 2.216 2.491 ( 1.918 0.545 -1.635) 2.579 2.627 ( 1.008 -0.782 1.404) 1.898 2.819 ( -3.307 -0.178 3.345) 4.707 2.860 ( -1.755 -1.884 -0.243) 2.586 2.889 ( 0.377 -1.424 -1.341) 1.993 3.022 ( -7.373 6.690 3.386) 10.516 3.116 ( 0.077 4.462 3.636) 5.757 3.209 ( -1.992 -2.895 2.392) 4.251 3.309 ( -11.202 4.052 0.703) 11.933 3.451 ( -1.287 1.139 -6.530) 6.753 3.536 ( -9.872 -11.690 -5.070) 16.119 4.049 ( -6.481 1.996 3.878) 7.812 4.142 ( -3.748 1.532 2.638) 4.832 4.683 ( 4.067 2.393 -2.335) 5.265 4.922 ( 14.329 -2.035 1.688) 14.571 6.484 ( 1.634 1.379 0.011) 2.138 6.496 ( 1.972 0.497 -0.369) 2.067 6.725 ( 2.830 -0.876 0.554) 3.014 6.828 ( 1.023 -2.613 -3.738) 4.674 7.111 ( 5.706 -0.487 2.758) 6.356 7.464 ( 16.271 0.462 3.843) 16.725 9.432 ( -1.966 1.594 -0.301) 2.549 9.910 ( -5.280 -2.816 4.119) 7.265 10.870 ( -0.145 -1.500 0.044) 1.508 11.029 ( -0.237 -0.394 -1.612) 1.677 11.105 ( -1.879 4.613 1.327) 5.155 11.120 ( 0.596 -1.825 0.814) 2.085 11.165 ( 0.639 3.562 -2.863) 4.614 11.213 ( 0.643 -3.372 -2.314) 4.139 12.465 ( -1.465 -0.046 0.907) 1.724 12.556 ( -1.431 1.225 -2.552) 3.172 12.672 ( -1.949 -2.680 1.599) 3.679 12.826 ( -1.512 1.311 0.580) 2.084 12.846 ( -0.152 0.424 -0.155) 0.477 13.075 ( -2.054 -0.164 0.188) 2.069 22.879 ( -3.864 0.131 -2.765) 4.754 23.625 ( 5.569 0.001 2.602) 6.147 24.002 ( 1.647 0.077 0.536) 1.734 24.410 ( -3.286 -0.253 3.923) 5.124 24.542 ( 5.480 0.285 -2.370) 5.977 24.713 ( 0.717 -0.288 -0.929) 1.208 27.647 ( -5.270 0.382 -4.909) 7.213 28.369 ( -0.272 -6.265 -3.077) 6.985 28.693 ( 1.428 4.283 4.555) 6.413 28.793 ( -0.785 -0.795 -0.404) 1.188 28.988 ( 2.152 -3.114 5.729) 6.866 29.064 ( 1.668 5.347 4.133) 6.961 29.898 ( -1.837 0.521 -8.168) 8.388 29.982 ( -1.295 -1.541 0.565) 2.091 30.092 ( -0.756 0.544 1.615) 1.864 30.184 ( -0.846 0.864 -2.200) 2.510 42.563 ( -1.400 0.025 -1.387) 1.971 42.790 ( 1.270 -0.263 0.212) 1.314 43.125 ( -2.024 -0.118 0.383) 2.064 43.195 ( 1.598 0.956 -0.103) 1.865 43.324 ( -0.214 -0.312 0.332) 0.503 43.343 ( -0.860 -0.433 -0.471) 1.071 50.226 ( -1.182 0.032 1.576) 1.971 50.322 ( 2.923 0.063 -0.171) 2.929 50.508 ( -2.236 -0.061 0.580) 2.311 50.579 ( 1.406 -0.013 -1.811) 2.292 85.568 ( -5.184 0.255 -2.142) 5.615 85.754 ( 0.440 -0.967 -0.789) 1.323 85.847 ( -4.105 4.123 2.077) 6.178 86.055 ( 4.495 -1.572 0.262) 4.769 86.314 ( -10.214 1.368 -5.936) 11.893 88.958 ( 14.765 -3.527 17.010) 22.799 95.105 ( -2.774 -0.016 -0.572) 2.832 95.308 ( -5.781 -0.132 0.062) 5.783 95.982 ( 18.592 1.986 0.908) 18.720 96.340 ( 4.344 -1.107 9.912) 10.879 97.092 ( 3.501 -2.064 -15.624) 16.144 97.207 ( -2.254 -4.005 -0.966) 4.696 97.241 ( -3.174 1.169 0.339) 3.399 97.313 ( 2.810 5.404 -1.090) 6.188 98.560 ( -7.824 -2.194 1.691) 8.300 99.084 ( -6.975 1.383 1.135) 7.201 ======================= Grid point 40 (21/86) ======================= q-point: ( 0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 15.154 4.389 6.125) 16.924 1.126 ( 11.097 13.996 8.404) 19.740 1.524 ( 24.199 2.259 7.913) 25.560 2.015 ( -14.993 1.576 -1.141) 15.119 2.250 ( -1.732 1.974 0.948) 2.792 2.316 ( -0.239 -5.934 -4.186) 7.266 2.444 ( 0.251 -3.574 0.193) 3.588 2.503 ( -2.709 -3.303 -1.606) 4.564 2.621 ( -0.303 -3.548 -0.939) 3.682 2.645 ( 4.072 -3.428 -2.656) 5.949 2.737 ( 1.997 -2.103 -2.768) 4.009 2.809 ( 1.699 0.597 1.536) 2.367 2.926 ( 0.124 -0.785 -1.576) 1.765 3.077 ( 2.093 2.859 2.625) 4.409 3.151 ( -1.539 2.378 -3.881) 4.805 3.290 ( 1.082 5.478 -2.885) 6.285 3.368 ( 6.097 0.039 1.369) 6.249 3.525 ( 12.580 8.086 4.262) 15.550 3.881 ( 5.703 3.278 -3.932) 7.663 3.991 ( 7.772 -0.179 0.466) 7.788 4.750 ( -4.114 -1.054 2.090) 4.734 5.195 ( -10.675 -3.239 -2.950) 11.539 6.537 ( -4.796 0.701 -0.166) 4.850 6.579 ( -5.177 0.200 2.064) 5.577 6.725 ( -0.564 -2.786 -0.056) 2.844 6.952 ( -6.982 -2.782 3.158) 8.152 7.203 ( -1.627 -1.008 -6.996) 7.253 7.676 ( -13.036 -10.401 -6.616) 17.941 9.381 ( 1.042 0.268 0.787) 1.333 9.729 ( 10.126 -0.109 -5.905) 11.722 10.878 ( -0.246 -2.292 0.004) 2.305 11.027 ( 2.708 3.816 0.694) 4.730 11.039 ( -1.897 0.552 1.842) 2.702 11.088 ( -1.936 -3.189 2.088) 4.275 11.209 ( 1.933 3.161 0.125) 3.707 11.395 ( -1.618 5.975 3.367) 7.046 12.426 ( 1.614 -0.778 -0.652) 1.907 12.516 ( 1.592 0.719 1.756) 2.477 12.615 ( 4.548 0.830 0.465) 4.646 12.783 ( 0.075 1.030 -1.930) 2.189 12.858 ( -0.521 -0.724 -0.366) 0.964 13.005 ( 2.024 -1.093 -0.524) 2.359 22.824 ( 2.837 1.452 3.930) 5.060 23.702 ( -6.111 -4.238 -3.416) 8.183 24.089 ( -1.688 4.039 -1.263) 4.556 24.323 ( 4.885 -0.297 -4.793) 6.850 24.654 ( -5.084 -0.301 2.201) 5.548 24.731 ( -0.870 -1.165 1.640) 2.191 27.573 ( 3.353 1.780 8.392) 9.210 28.447 ( 2.909 1.398 0.317) 3.243 28.688 ( -2.813 0.503 -4.427) 5.269 28.791 ( 1.432 1.429 -0.234) 2.036 28.967 ( 0.891 -3.752 -2.467) 4.578 29.086 ( 0.055 4.373 -12.756) 13.485 29.865 ( -0.498 -1.528 8.936) 9.079 29.985 ( 0.057 2.100 0.838) 2.262 30.049 ( 0.282 -2.444 1.916) 3.118 30.153 ( -0.233 -1.422 3.180) 3.491 42.550 ( 0.976 0.811 2.152) 2.498 42.815 ( -1.563 -0.778 0.293) 1.771 43.102 ( 1.852 1.443 -0.446) 2.390 43.225 ( -1.402 0.882 0.202) 1.668 43.300 ( 1.782 0.086 -0.328) 1.814 43.341 ( 0.228 -0.201 -0.169) 0.347 50.209 ( 1.171 0.758 -2.599) 2.950 50.383 ( -2.131 0.751 1.829) 2.907 50.457 ( 1.330 -1.329 -2.308) 2.977 50.597 ( -1.578 -1.197 2.941) 3.546 85.496 ( 3.401 1.718 3.569) 5.221 85.715 ( 2.500 1.326 -2.392) 3.705 85.831 ( -1.261 1.719 3.105) 3.766 86.003 ( 10.056 1.372 0.174) 10.151 86.236 ( -3.455 0.895 6.546) 7.456 89.056 ( -4.804 -11.383 -33.139) 35.367 95.055 ( 2.883 1.320 0.694) 3.246 95.221 ( 3.326 0.833 -0.540) 3.471 96.263 ( -20.578 -10.634 -0.752) 23.175 96.376 ( -7.667 -8.777 -9.405) 14.975 97.041 ( -5.649 -9.704 12.521) 16.818 97.151 ( -1.787 3.609 2.522) 4.752 97.243 ( 5.356 3.247 0.417) 6.277 97.660 ( -3.514 12.583 8.134) 15.390 98.407 ( 13.998 6.131 -3.022) 15.578 98.933 ( 10.768 6.586 -1.518) 12.713 ======================= Grid point 41 (22/86) ======================= q-point: ( 0.06 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -5.581 -3.033 1.660) 6.565 1.590 ( 1.335 0.253 5.039) 5.219 1.709 ( 10.728 9.352 -0.190) 14.233 1.910 ( -6.725 7.140 -4.280) 10.702 2.111 ( -6.469 -1.217 -0.912) 6.646 2.325 ( 2.222 1.700 0.643) 2.871 2.392 ( 2.126 -2.408 -0.382) 3.235 2.487 ( 1.145 -1.261 0.048) 1.704 2.577 ( -2.247 -1.770 -0.985) 3.025 2.741 ( 2.324 -4.594 0.879) 5.223 2.818 ( -0.070 -3.262 1.846) 3.749 2.961 ( -7.349 -5.408 0.979) 9.177 3.023 ( 8.663 -0.993 -1.739) 8.891 3.038 ( 3.844 -0.116 2.513) 4.594 3.222 ( -2.267 0.030 0.513) 2.325 3.372 ( 3.810 -7.840 -5.308) 10.206 3.474 ( -3.461 -4.115 4.942) 7.303 3.623 ( -5.675 -6.926 -4.742) 10.132 4.081 ( 5.920 -1.092 -2.812) 6.645 4.132 ( -3.782 1.198 6.253) 7.406 4.670 ( 1.319 4.653 1.987) 5.228 4.870 ( -0.565 8.699 -2.598) 9.097 6.462 ( 0.652 -0.346 0.330) 0.809 6.504 ( 0.838 1.349 0.312) 1.618 6.636 ( -0.194 -4.004 -2.044) 4.500 6.789 ( -1.654 -7.194 -0.856) 7.432 7.117 ( -0.577 6.595 0.758) 6.663 7.258 ( 0.701 2.841 -0.090) 2.928 9.441 ( -0.208 -1.420 2.390) 2.788 9.861 ( 0.238 -5.306 -3.425) 6.320 10.857 ( 0.105 -1.860 -2.017) 2.746 10.988 ( -0.400 -2.676 0.146) 2.709 11.079 ( 0.073 0.822 0.367) 0.903 11.145 ( 1.540 3.776 1.214) 4.255 11.280 ( 0.673 6.599 -0.752) 6.676 11.355 ( -2.283 7.671 2.348) 8.341 12.473 ( -0.522 -0.004 0.433) 0.678 12.579 ( 0.022 -2.678 2.352) 3.565 12.664 ( -0.312 0.977 -3.525) 3.671 12.794 ( 1.431 -3.361 -1.217) 3.850 12.870 ( -0.018 0.243 1.482) 1.502 13.041 ( -0.421 -4.877 0.268) 4.902 22.979 ( -0.025 1.507 0.242) 1.526 23.495 ( 0.016 -3.031 -0.115) 3.034 24.029 ( 0.065 4.693 0.046) 4.694 24.400 ( -0.423 0.371 0.231) 0.608 24.521 ( 0.499 0.785 -0.252) 0.964 24.721 ( -0.192 0.355 -0.117) 0.421 27.782 ( 0.324 2.172 0.698) 2.304 28.382 ( -2.532 -4.766 -8.083) 9.720 28.670 ( 2.930 7.453 6.984) 10.626 28.843 ( -0.436 1.461 -2.359) 2.809 28.868 ( 0.109 -0.608 -0.190) 0.646 29.039 ( -0.427 0.523 2.778) 2.858 29.952 ( -0.616 -1.904 0.849) 2.174 30.025 ( -0.299 -1.350 -4.141) 4.365 30.043 ( 1.407 -1.047 2.157) 2.780 30.185 ( -0.384 -2.585 1.429) 2.979 42.608 ( -0.173 0.997 0.335) 1.066 42.766 ( 0.250 -0.307 -0.683) 0.790 43.160 ( -1.580 0.927 0.826) 2.009 43.192 ( 1.781 1.931 0.023) 2.627 43.320 ( 0.208 -0.153 -0.653) 0.702 43.350 ( -0.508 -0.688 0.031) 0.856 50.247 ( 0.013 0.883 0.051) 0.884 50.279 ( -0.020 0.901 0.062) 0.903 50.541 ( -0.082 -1.398 -0.082) 1.403 50.546 ( 0.094 -1.298 -0.013) 1.302 85.691 ( 1.094 1.152 0.156) 1.596 85.724 ( -1.899 0.824 0.586) 2.152 85.897 ( 4.707 -0.838 2.123) 5.231 85.994 ( -6.167 1.962 1.224) 6.586 86.546 ( 4.652 3.122 -2.805) 6.265 88.428 ( -2.498 -16.668 -1.450) 16.916 95.152 ( 0.107 0.909 -0.119) 0.924 95.392 ( -0.780 -1.121 0.119) 1.371 95.685 ( 0.269 -4.716 1.910) 5.095 96.103 ( 0.868 -9.935 -1.804) 10.135 97.027 ( 0.070 -5.538 -1.604) 5.766 97.150 ( -0.482 -0.188 1.443) 1.533 97.427 ( 1.139 9.727 -2.154) 10.027 97.590 ( -0.627 12.058 2.816) 12.398 98.668 ( -0.831 5.179 -1.543) 5.467 99.176 ( 0.424 3.105 1.146) 3.337 ======================= Grid point 43 (23/86) ======================= q-point: ( 0.06 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -13.360 5.837 -4.231) 15.181 1.169 ( -14.569 14.229 -9.064) 22.291 1.475 ( -20.380 0.665 -8.321) 22.023 2.047 ( 10.800 1.382 6.589) 12.727 2.252 ( 7.706 1.832 -3.043) 8.486 2.360 ( 0.869 -2.674 -0.157) 2.816 2.441 ( -3.316 -9.970 -0.991) 10.554 2.507 ( -4.755 -0.923 4.020) 6.295 2.549 ( 2.297 -0.017 1.186) 2.585 2.604 ( 2.229 -3.931 2.644) 5.236 2.758 ( -1.983 -2.785 -2.345) 4.145 2.905 ( -3.249 -0.090 3.806) 5.005 2.953 ( -1.643 -6.703 0.491) 6.919 3.054 ( -4.640 7.075 -0.122) 8.462 3.161 ( -3.127 5.043 3.496) 6.887 3.285 ( -3.062 3.589 -0.908) 4.804 3.352 ( -0.125 2.409 2.033) 3.154 3.473 ( -6.781 5.675 -4.243) 9.808 3.923 ( -7.923 4.082 2.899) 9.372 3.977 ( -8.531 -0.515 0.374) 8.555 4.774 ( 2.092 -0.682 -2.030) 2.994 5.180 ( 11.981 -3.467 2.803) 12.784 6.571 ( 4.060 0.275 -1.217) 4.247 6.614 ( 5.791 2.284 -0.342) 6.235 6.684 ( -1.408 -4.073 -0.586) 4.349 6.896 ( 10.528 -3.613 -1.984) 11.306 7.202 ( 2.366 -0.918 4.987) 5.596 7.677 ( 12.262 -9.970 6.530) 17.100 9.399 ( -2.491 0.449 0.188) 2.538 9.697 ( -7.759 -0.120 3.921) 8.694 10.849 ( 1.444 -1.372 -0.568) 2.071 11.025 ( -0.377 0.607 -0.370) 0.805 11.077 ( 2.524 -2.905 -3.462) 5.177 11.134 ( -4.803 1.800 -0.225) 5.135 11.191 ( -0.701 2.420 0.561) 2.582 11.366 ( 2.178 7.438 -2.981) 8.304 12.420 ( -1.533 -0.735 0.857) 1.903 12.526 ( -2.628 0.752 -1.298) 3.026 12.597 ( -2.305 0.916 -0.789) 2.602 12.814 ( -1.916 0.649 1.359) 2.437 12.852 ( 0.928 -0.678 0.139) 1.158 13.000 ( -1.901 -1.026 0.907) 2.343 22.825 ( -2.951 1.472 -3.853) 5.071 23.703 ( 6.157 -4.333 3.475) 8.292 24.094 ( 1.660 4.224 1.312) 4.725 24.312 ( -4.724 -0.382 4.600) 6.604 24.665 ( 4.990 0.012 -2.158) 5.437 24.719 ( 0.940 -1.469 -1.691) 2.430 27.578 ( -3.670 1.787 -8.675) 9.587 28.343 ( 2.726 1.476 0.164) 3.104 28.762 ( -1.195 -0.982 -0.226) 1.563 28.778 ( -0.710 3.162 0.316) 3.256 28.940 ( -0.058 -2.229 4.180) 4.738 29.141 ( -2.859 2.682 15.301) 15.795 29.873 ( -0.358 -1.673 -7.301) 7.499 29.971 ( 2.663 1.010 -4.294) 5.152 30.065 ( -1.942 -1.280 -0.102) 2.328 30.157 ( -0.223 -1.573 -2.896) 3.303 42.549 ( -0.985 0.859 -2.091) 2.466 42.813 ( 1.768 -0.829 -0.609) 2.046 43.102 ( -1.750 1.407 0.849) 2.400 43.250 ( 0.884 1.677 -0.427) 1.943 43.283 ( -1.932 -0.622 0.338) 2.057 43.332 ( 0.265 -0.228 0.122) 0.370 50.209 ( -1.199 0.762 2.613) 2.974 50.385 ( 2.071 0.824 -1.826) 2.881 50.455 ( -1.275 -1.402 2.318) 2.993 50.597 ( 1.591 -1.204 -2.953) 3.564 85.498 ( -3.599 1.726 -3.384) 5.233 85.781 ( -1.459 4.835 -0.189) 5.054 85.782 ( -3.988 -1.042 3.513) 5.416 86.006 ( -4.613 -0.396 -0.641) 4.674 86.291 ( -0.557 1.427 -9.617) 9.738 88.974 ( 8.064 -10.832 32.215) 34.931 95.056 ( -2.885 1.319 -0.741) 3.258 95.219 ( -3.199 0.840 0.740) 3.389 96.268 ( 16.092 -9.328 7.027) 19.883 96.396 ( 11.470 -10.752 3.551) 16.117 97.012 ( 5.990 -6.825 -12.343) 15.323 97.149 ( 1.251 1.491 -3.032) 3.603 97.269 ( -4.345 2.990 -1.817) 5.579 97.674 ( 2.177 12.568 -6.509) 14.320 98.362 ( -11.963 6.190 2.235) 13.654 98.956 ( -12.100 6.603 2.140) 13.949 ======================= Grid point 44 (24/86) ======================= q-point: ( 0.06 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 8.814 17.766 -0.000) 19.833 1.072 ( 16.565 13.805 -0.000) 21.564 1.394 ( -0.782 23.732 0.000) 23.745 2.138 ( -0.680 -11.602 -0.000) 11.622 2.194 ( 3.907 -8.482 -0.000) 9.339 2.358 ( -2.708 -0.891 0.000) 2.851 2.429 ( -12.030 4.465 0.000) 12.832 2.551 ( 1.067 1.673 -0.000) 1.984 2.552 ( 0.293 -4.502 -0.000) 4.512 2.670 ( -3.786 -4.992 0.000) 6.266 2.695 ( -4.954 8.829 0.000) 10.124 2.954 ( -7.714 4.870 0.000) 9.123 2.960 ( -0.802 -2.871 -0.000) 2.981 3.039 ( 8.198 6.768 -0.000) 10.631 3.211 ( -1.155 0.762 0.000) 1.384 3.268 ( 8.007 6.025 -0.000) 10.021 3.386 ( 3.460 -1.357 -0.000) 3.716 3.413 ( 9.510 6.673 -0.000) 11.617 3.951 ( 3.441 9.195 0.000) 9.818 3.981 ( -1.155 8.645 0.000) 8.722 4.754 ( -0.712 -2.110 -0.000) 2.227 5.207 ( -3.759 -12.651 -0.000) 13.198 6.559 ( -0.084 -3.802 -0.000) 3.803 6.609 ( 1.613 -5.910 -0.000) 6.126 6.681 ( -3.929 1.534 0.000) 4.217 6.874 ( -2.549 -10.401 -0.000) 10.709 7.254 ( -0.936 -5.044 -0.000) 5.131 7.748 ( -13.568 -15.939 0.000) 20.932 9.401 ( 0.515 2.870 0.000) 2.916 9.743 ( -1.838 5.949 0.000) 6.227 10.851 ( -2.254 -2.354 0.000) 3.260 10.991 ( 3.054 2.868 -0.000) 4.190 11.058 ( -3.099 -2.162 0.000) 3.778 11.132 ( 2.118 6.153 0.000) 6.508 11.199 ( 3.018 0.687 -0.000) 3.095 11.333 ( 7.948 -1.736 -0.000) 8.135 12.431 ( -0.836 1.653 0.000) 1.852 12.509 ( 1.547 2.736 -0.000) 3.143 12.591 ( 0.291 2.489 0.000) 2.506 12.829 ( 1.615 2.887 -0.000) 3.308 12.851 ( -1.763 -2.482 0.000) 3.045 13.007 ( -0.944 1.827 0.000) 2.057 22.790 ( 1.606 3.336 -0.000) 3.702 23.736 ( -4.631 -6.554 0.000) 8.025 24.107 ( 4.161 -1.949 -0.000) 4.595 24.360 ( -0.365 4.297 0.000) 4.312 24.644 ( -0.195 -5.082 -0.000) 5.086 24.702 ( -1.249 -0.600 0.000) 1.386 27.492 ( 2.708 5.601 -0.000) 6.221 28.347 ( 2.460 -3.285 -0.000) 4.104 28.751 ( 0.122 0.053 -0.000) 0.133 28.787 ( 1.765 1.641 -0.000) 2.410 28.975 ( -4.093 -1.034 0.000) 4.221 29.390 ( -0.184 -5.222 -0.000) 5.225 29.681 ( 0.976 4.551 0.000) 4.655 29.946 ( 0.757 0.681 -0.000) 1.018 30.094 ( -1.409 3.647 0.000) 3.910 30.109 ( -0.239 -0.103 0.000) 0.261 42.529 ( 1.015 1.319 -0.000) 1.664 42.806 ( -0.468 -1.127 -0.000) 1.220 43.110 ( 1.529 1.776 -0.000) 2.343 43.246 ( 1.478 -0.748 -0.000) 1.657 43.285 ( -0.736 1.980 0.000) 2.113 43.333 ( -0.143 -0.841 -0.000) 0.853 50.245 ( 0.657 0.663 -0.000) 0.933 50.347 ( 0.550 -0.360 -0.000) 0.657 50.511 ( -1.197 -0.782 0.000) 1.430 50.546 ( -1.066 -0.695 0.000) 1.272 85.461 ( 2.556 5.000 -0.000) 5.615 85.766 ( 3.345 -0.085 -0.000) 3.346 85.840 ( -0.496 4.498 0.000) 4.525 86.000 ( 1.645 10.687 0.000) 10.813 86.190 ( -0.120 -4.014 -0.000) 4.016 89.310 ( -17.271 -20.720 0.000) 26.975 95.049 ( 1.274 2.835 -0.000) 3.108 95.226 ( 0.927 3.153 0.000) 3.286 96.325 ( -12.167 -18.790 0.000) 22.385 96.529 ( -16.001 -15.045 0.000) 21.963 96.783 ( 2.779 2.480 -0.000) 3.724 97.129 ( 3.578 0.327 -0.000) 3.593 97.250 ( 2.405 4.262 -0.000) 4.894 97.611 ( 13.718 0.537 -0.000) 13.729 98.388 ( 5.164 10.287 -0.000) 11.510 98.976 ( 6.407 12.147 -0.000) 13.733 ======================= Grid point 45 (25/86) ======================= q-point: ( 0.06 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 9.836 6.883 -4.812) 12.934 1.582 ( 8.414 11.690 8.845) 16.902 1.761 ( -16.086 6.827 3.363) 17.796 1.944 ( 15.882 -0.595 3.188) 16.210 2.219 ( 3.746 -7.144 -2.533) 8.456 2.269 ( -0.934 -0.650 -0.977) 1.500 2.336 ( 0.877 -5.574 0.351) 5.653 2.435 ( -2.760 1.560 -2.780) 4.217 2.580 ( 1.139 -2.540 -0.608) 2.849 2.628 ( -2.355 -2.468 1.138) 3.597 2.689 ( -0.682 -4.723 -0.693) 4.822 2.757 ( 4.498 -2.038 0.637) 4.979 2.915 ( -0.595 -7.630 -1.173) 7.742 2.993 ( -5.058 -2.674 3.051) 6.484 3.211 ( -2.239 -0.577 -0.024) 2.312 3.268 ( -1.194 3.232 1.704) 3.844 3.575 ( 2.065 -0.588 -9.651) 9.887 3.736 ( -8.522 -2.558 -3.625) 9.607 3.877 ( 10.028 -2.019 -0.524) 10.242 4.044 ( -2.760 -3.796 6.993) 8.422 4.791 ( 2.457 9.275 0.795) 9.628 5.077 ( -0.497 3.693 -1.309) 3.949 6.460 ( -2.599 -0.783 1.044) 2.909 6.514 ( -1.868 0.485 1.178) 2.261 6.621 ( -1.509 -3.994 -1.083) 4.404 6.723 ( -4.668 -7.038 -0.156) 8.447 7.228 ( 1.443 3.677 -2.322) 4.581 7.369 ( -4.283 -0.850 0.170) 4.370 9.388 ( -0.758 0.505 1.086) 1.418 9.772 ( 1.921 -6.692 -2.870) 7.531 10.839 ( 1.266 -1.458 -0.344) 1.961 10.971 ( -1.927 -2.146 0.344) 2.905 11.141 ( 2.841 5.770 -1.195) 6.542 11.194 ( 0.840 7.603 1.205) 7.744 11.348 ( 4.456 3.696 0.076) 5.790 11.481 ( -1.508 4.592 2.255) 5.334 12.452 ( 1.823 -0.397 -0.321) 1.894 12.534 ( -0.789 -0.386 -0.287) 0.924 12.624 ( 0.414 -3.615 1.391) 3.895 12.780 ( 0.021 -1.343 -2.313) 2.675 12.860 ( -0.235 0.609 0.600) 0.886 12.931 ( -2.070 -5.588 0.116) 5.960 22.937 ( 3.865 3.071 2.519) 5.542 23.505 ( -4.678 -4.661 -2.212) 6.964 24.162 ( -0.787 5.588 -0.348) 5.654 24.414 ( 4.058 0.426 -4.055) 5.753 24.551 ( -4.250 0.193 3.094) 5.260 24.715 ( 0.736 -0.432 0.276) 0.897 27.726 ( 5.086 4.462 3.881) 7.800 28.462 ( 0.893 -6.296 -5.455) 8.379 28.680 ( -1.222 4.014 -0.008) 4.196 28.853 ( -1.399 0.211 3.798) 4.053 28.904 ( 0.765 1.626 1.204) 2.163 29.129 ( -1.871 2.722 -7.769) 8.442 29.847 ( 1.394 -1.291 5.370) 5.696 29.997 ( 0.619 -2.760 0.328) 2.847 30.014 ( -1.109 -0.313 -0.564) 1.283 30.110 ( -0.502 -1.851 0.704) 2.043 42.600 ( 1.406 1.678 1.208) 2.501 42.780 ( -0.598 -0.811 -0.672) 1.211 43.180 ( 1.980 1.845 -0.600) 2.772 43.221 ( -1.548 1.965 0.775) 2.619 43.326 ( 0.169 -0.226 -0.300) 0.412 43.330 ( 0.688 -1.007 0.097) 1.224 50.259 ( 1.344 1.614 -1.436) 2.545 50.355 ( -2.850 1.694 0.200) 3.321 50.456 ( 2.272 -2.418 -0.558) 3.364 50.530 ( -1.601 -2.121 1.706) 3.158 85.650 ( 5.011 4.162 0.190) 6.517 85.763 ( -1.273 1.927 1.457) 2.731 85.846 ( -0.129 1.427 -0.430) 1.496 86.091 ( -2.189 -0.082 0.814) 2.337 86.383 ( 11.482 5.195 4.995) 13.556 88.401 ( -17.802 -25.147 -12.274) 33.165 95.143 ( 2.422 1.752 0.594) 3.048 95.310 ( 3.700 0.251 -0.338) 3.723 95.717 ( -12.951 -7.820 0.525) 15.138 95.976 ( -6.836 -13.249 -3.619) 15.341 96.993 ( 3.934 3.828 1.102) 5.599 97.207 ( -3.391 6.418 2.406) 7.647 97.436 ( 8.882 0.363 0.559) 8.907 97.780 ( -4.178 4.677 0.910) 6.337 98.776 ( 8.256 8.920 0.185) 12.156 99.204 ( 3.352 5.553 -0.581) 6.512 ======================= Grid point 46 (26/86) ======================= q-point: ( 0.06 -0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -8.441 5.664 2.248) 10.411 1.747 ( 2.276 6.963 1.254) 7.432 1.836 ( -3.665 4.576 -1.926) 6.171 1.935 ( -7.066 4.352 -9.038) 12.271 2.135 ( 9.347 3.520 0.935) 10.032 2.301 ( -1.826 -8.280 -0.192) 8.481 2.375 ( -0.206 -2.999 0.496) 3.047 2.445 ( -1.862 -4.268 2.079) 5.099 2.495 ( -3.892 -2.597 -1.408) 4.887 2.615 ( -4.061 -0.828 0.582) 4.185 2.695 ( 1.650 -3.805 2.523) 4.854 2.771 ( 2.744 -3.858 2.765) 5.483 2.956 ( -5.815 -5.214 -5.006) 9.277 3.137 ( 5.136 -4.312 -2.701) 7.229 3.200 ( 1.562 -0.020 0.482) 1.635 3.289 ( 8.294 -1.796 3.747) 9.277 3.346 ( -5.650 0.951 -0.838) 5.791 3.604 ( 3.742 1.249 4.071) 5.669 3.874 ( -9.302 -6.036 8.362) 13.888 4.150 ( 2.309 0.277 -5.870) 6.314 4.862 ( -1.981 6.225 0.241) 6.537 5.015 ( 0.103 5.584 -0.023) 5.585 6.505 ( 3.798 -0.757 -1.047) 4.012 6.564 ( 3.219 -0.124 -1.778) 3.680 6.607 ( 3.494 -6.319 0.340) 7.229 6.655 ( 2.594 -3.444 -1.292) 4.501 7.192 ( -2.984 4.366 1.270) 5.439 7.362 ( 3.112 0.084 1.773) 3.582 9.411 ( -0.287 -0.110 1.722) 1.749 9.711 ( -1.866 -4.658 -0.524) 5.045 10.836 ( 0.341 -0.923 -2.418) 2.610 10.973 ( 2.209 -1.266 -0.416) 2.580 11.117 ( -2.592 4.320 1.123) 5.161 11.269 ( -0.099 5.590 0.356) 5.602 11.328 ( -6.136 3.975 0.608) 7.336 11.498 ( 1.662 4.942 -0.827) 5.279 12.429 ( -2.027 -0.439 0.791) 2.220 12.522 ( 0.302 -1.944 1.424) 2.428 12.682 ( -0.244 0.417 -3.230) 3.266 12.748 ( 1.756 -3.941 -0.728) 4.375 12.866 ( 0.105 -0.532 1.021) 1.156 12.919 ( 0.416 -4.361 1.612) 4.668 23.002 ( -1.923 2.633 -4.102) 5.240 23.450 ( 3.163 -4.403 3.535) 6.472 24.155 ( 0.241 6.156 1.069) 6.253 24.325 ( -5.567 0.452 4.175) 6.973 24.621 ( 4.701 0.645 -2.947) 5.586 24.717 ( -0.150 -0.997 -1.046) 1.453 27.831 ( -1.888 3.204 -5.250) 6.434 28.304 ( 1.669 -1.715 -1.268) 2.708 28.750 ( -1.978 -0.933 2.780) 3.538 28.873 ( 0.019 3.667 2.824) 4.629 28.905 ( -0.526 2.536 -1.314) 2.904 29.027 ( -1.811 1.105 4.011) 4.537 29.900 ( -0.105 -1.246 -0.910) 1.546 30.009 ( 1.498 -1.527 -2.954) 3.648 30.033 ( 0.635 -2.533 0.821) 2.737 30.124 ( 1.158 -2.835 -0.350) 3.082 42.627 ( -0.602 1.455 -1.376) 2.091 42.769 ( 0.935 -0.943 -0.043) 1.329 43.154 ( -1.732 2.124 1.108) 2.957 43.275 ( 1.718 1.997 -0.357) 2.658 43.300 ( -1.741 -0.644 0.534) 1.932 43.322 ( -0.107 -0.740 -0.548) 0.928 50.238 ( -2.227 1.736 0.807) 2.937 50.335 ( 1.422 1.350 2.302) 3.024 50.472 ( -0.890 -2.037 -2.112) 3.067 50.555 ( 2.495 -2.267 -0.942) 3.500 85.653 ( -4.033 2.449 0.300) 4.728 85.773 ( -0.301 1.286 1.817) 2.247 85.921 ( -2.196 -0.762 -1.770) 2.922 85.986 ( 2.086 4.445 1.590) 5.161 86.644 ( -3.780 1.980 -13.020) 13.701 88.041 ( 7.173 -18.312 17.295) 26.190 95.160 ( -1.936 1.842 -1.197) 2.929 95.288 ( -3.946 0.186 1.230) 4.137 95.723 ( 11.115 -6.836 2.359) 13.260 95.925 ( 5.553 -13.104 0.866) 14.258 97.028 ( 0.186 1.039 -3.682) 3.830 97.234 ( 2.667 7.216 -0.346) 7.701 97.479 ( -7.595 1.191 -2.503) 8.084 97.784 ( 5.137 0.779 0.953) 5.282 98.767 ( -6.804 12.217 -3.081) 14.320 99.196 ( -5.405 4.399 3.253) 7.691 ======================= Grid point 48 (27/86) ======================= q-point: ( 0.06 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 10.194 12.326 -0.000) 15.996 1.571 ( 12.049 5.829 -0.000) 13.385 1.744 ( -0.844 16.318 0.000) 16.339 1.868 ( 2.359 -11.953 -0.000) 12.183 2.150 ( 3.513 -3.478 -0.000) 4.944 2.298 ( -12.300 7.922 0.000) 14.631 2.346 ( -2.171 0.453 0.000) 2.218 2.476 ( 1.186 -3.964 -0.000) 4.138 2.507 ( -1.528 -4.556 -0.000) 4.806 2.657 ( 0.316 4.652 0.000) 4.663 2.716 ( -5.670 -0.074 0.000) 5.671 2.842 ( -10.185 8.210 0.000) 13.082 2.917 ( -2.295 -0.847 0.000) 2.446 3.028 ( -11.109 -5.472 0.000) 12.383 3.190 ( -4.814 -8.982 0.000) 10.191 3.291 ( 5.396 2.146 -0.000) 5.807 3.470 ( 8.789 -3.240 -0.000) 9.367 3.748 ( 4.198 -1.052 -0.000) 4.328 3.935 ( -7.150 -6.918 0.000) 9.949 4.054 ( -6.838 11.053 0.000) 12.998 4.864 ( 6.676 7.018 -0.000) 9.687 5.015 ( 5.589 -5.857 -0.000) 8.096 6.476 ( -3.290 -0.715 0.000) 3.366 6.507 ( -0.701 -4.217 -0.000) 4.274 6.629 ( -0.812 -7.544 -0.000) 7.587 6.630 ( -3.950 0.312 0.000) 3.962 7.243 ( 4.163 0.947 -0.000) 4.270 7.383 ( -2.416 -4.726 0.000) 5.308 9.454 ( -1.340 3.150 0.000) 3.424 9.699 ( -4.014 -3.319 0.000) 5.209 10.783 ( 0.139 -1.212 -0.000) 1.220 10.966 ( -1.654 -1.275 0.000) 2.088 11.152 ( 5.920 3.338 -0.000) 6.797 11.281 ( 4.289 -0.082 -0.000) 4.290 11.327 ( 3.989 6.507 -0.000) 7.632 11.473 ( 4.833 0.890 -0.000) 4.914 12.457 ( -0.531 2.485 0.000) 2.541 12.566 ( -2.868 -1.600 0.000) 3.285 12.587 ( 0.711 1.602 0.000) 1.753 12.739 ( -2.881 -3.948 0.000) 4.887 12.890 ( -0.475 1.201 0.000) 1.291 12.945 ( -4.824 -1.339 0.000) 5.007 22.920 ( 3.104 4.872 -0.000) 5.777 23.524 ( -4.777 -5.339 0.000) 7.164 24.170 ( 5.139 -1.155 -0.000) 5.267 24.454 ( 1.233 4.985 0.000) 5.135 24.521 ( -0.910 -5.690 -0.000) 5.762 24.702 ( 0.321 1.043 0.000) 1.091 27.703 ( 4.738 7.608 -0.000) 8.962 28.312 ( 2.646 -6.317 -0.000) 6.849 28.749 ( -0.278 0.126 0.000) 0.305 28.858 ( -4.257 -1.501 0.000) 4.514 28.900 ( 4.168 3.243 -0.000) 5.281 29.288 ( -1.326 -3.495 -0.000) 3.738 29.774 ( -0.137 3.685 0.000) 3.688 29.929 ( -1.005 -1.334 0.000) 1.670 30.086 ( -0.811 -1.299 0.000) 1.532 30.115 ( -3.201 2.661 0.000) 4.163 42.595 ( 1.800 2.263 -0.000) 2.891 42.770 ( -0.447 -1.442 -0.000) 1.510 43.188 ( 2.094 2.120 -0.000) 2.980 43.261 ( 0.847 -0.214 -0.000) 0.874 43.302 ( -0.118 -1.901 -0.000) 1.905 43.310 ( -0.394 1.402 0.000) 1.456 50.279 ( 1.476 0.521 -0.000) 1.565 50.350 ( 1.559 -1.443 -0.000) 2.124 50.469 ( -2.400 0.497 0.000) 2.451 50.503 ( -1.915 -0.416 0.000) 1.960 85.652 ( 4.772 6.054 -0.000) 7.708 85.814 ( 2.475 -2.061 -0.000) 3.221 85.874 ( -3.268 2.134 0.000) 3.903 86.133 ( -0.444 -0.712 0.000) 0.839 86.283 ( 5.528 11.249 -0.000) 12.534 88.423 ( -22.881 -24.601 0.000) 33.597 95.135 ( 1.743 2.396 -0.000) 2.963 95.314 ( 0.458 3.521 0.000) 3.551 95.769 ( -10.455 -11.375 0.000) 15.450 95.975 ( -13.021 -9.670 0.000) 16.219 96.940 ( 6.569 3.446 -0.000) 7.418 97.239 ( 6.880 0.033 -0.000) 6.880 97.400 ( 0.026 7.505 0.000) 7.505 97.792 ( 3.630 -2.928 -0.000) 4.664 98.718 ( 11.180 7.218 -0.000) 13.307 99.254 ( 3.855 4.272 -0.000) 5.754 ======================= Grid point 49 (28/86) ======================= q-point: ( 0.06 0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -9.525 11.316 0.103) 14.791 1.734 ( 5.200 9.100 -1.148) 10.544 1.919 ( 3.107 6.038 6.784) 9.599 2.071 ( 1.261 -5.360 0.603) 5.540 2.133 ( 6.900 -11.085 -0.051) 13.057 2.207 ( -2.840 2.455 -2.915) 4.753 2.293 ( 0.139 -3.175 -2.066) 3.791 2.382 ( -2.083 -6.495 -4.125) 7.972 2.458 ( -1.757 -1.637 4.440) 5.048 2.578 ( 0.880 -1.299 -2.930) 3.324 2.602 ( -0.732 -6.975 1.808) 7.242 2.668 ( -2.157 -0.802 -2.245) 3.215 2.854 ( 6.110 -3.194 4.932) 8.476 2.880 ( 2.540 -4.209 5.431) 7.326 3.117 ( 2.696 -1.511 -5.324) 6.156 3.279 ( -7.648 -3.014 -7.704) 11.266 3.481 ( 1.283 4.054 0.978) 4.364 3.618 ( -7.885 2.175 3.322) 8.828 3.835 ( -7.810 -2.165 3.456) 8.811 4.000 ( 10.992 -6.044 -2.307) 12.754 5.054 ( 0.349 8.972 0.335) 8.985 5.173 ( -0.566 3.177 -0.280) 3.239 6.444 ( 1.695 -0.187 0.239) 1.722 6.479 ( -0.220 -2.286 0.185) 2.304 6.557 ( -0.494 -1.413 -0.976) 1.787 6.565 ( 0.362 -2.798 0.151) 2.825 7.321 ( -0.847 3.218 -0.059) 3.328 7.358 ( -0.102 1.313 0.160) 1.327 9.404 ( -0.133 2.843 0.898) 2.984 9.620 ( -0.600 -7.420 -1.028) 7.515 10.869 ( 0.839 0.397 -1.340) 1.630 10.911 ( 0.007 -1.298 0.954) 1.610 11.316 ( -2.534 8.494 -0.592) 8.884 11.360 ( 2.434 5.965 0.243) 6.447 11.478 ( -4.132 1.090 0.821) 4.352 11.503 ( 4.385 0.616 0.079) 4.429 12.440 ( -1.177 -0.327 0.603) 1.362 12.492 ( -2.020 -0.831 -0.276) 2.202 12.579 ( 4.285 -3.130 0.243) 5.312 12.665 ( -1.224 -8.120 -0.652) 8.237 12.839 ( -0.409 0.469 -0.478) 0.785 12.860 ( -0.108 -0.165 0.540) 0.575 23.098 ( 3.906 4.673 0.100) 6.091 23.316 ( -3.571 -5.570 -0.308) 6.623 24.274 ( 0.141 5.826 0.767) 5.878 24.394 ( -4.833 -0.426 1.195) 4.996 24.597 ( 4.377 2.206 -1.075) 5.018 24.704 ( -0.333 -2.128 -0.879) 2.326 27.939 ( 4.227 6.643 0.653) 7.901 28.266 ( -3.521 -8.661 -2.982) 9.814 28.738 ( -0.392 2.385 2.263) 3.311 28.809 ( -0.886 -0.131 5.125) 5.202 29.019 ( 1.633 4.554 -2.270) 5.345 29.124 ( -2.053 0.238 -4.457) 4.913 29.855 ( 1.634 -0.759 2.280) 2.906 29.927 ( 0.181 -4.113 1.834) 4.507 29.992 ( -1.130 0.996 -0.728) 1.673 30.073 ( 1.062 -2.112 -1.510) 2.805 42.666 ( 1.033 2.124 0.281) 2.378 42.746 ( -0.545 -1.599 -0.409) 1.738 43.218 ( -1.189 2.249 0.082) 2.545 43.269 ( 1.716 1.059 -0.068) 2.018 43.302 ( -0.413 -0.718 0.334) 0.893 43.324 ( -0.351 -0.796 -0.192) 0.891 50.317 ( -0.458 2.501 -0.018) 2.542 50.343 ( -1.862 2.142 0.084) 2.840 50.449 ( 1.611 -2.835 -0.077) 3.262 50.461 ( 0.681 -2.601 -0.013) 2.689 85.746 ( -2.362 2.934 0.842) 3.859 85.801 ( -0.015 2.110 0.188) 2.118 85.928 ( 3.961 2.013 -1.987) 4.867 86.027 ( -2.213 -0.452 1.930) 2.971 86.796 ( 13.873 9.747 -0.360) 16.958 87.517 ( -15.591 -24.400 -0.728) 28.965 95.221 ( 1.541 2.205 -0.007) 2.690 95.316 ( -2.208 -2.298 0.072) 3.188 95.503 ( 1.168 -0.747 0.555) 1.493 95.658 ( -1.791 -9.035 -0.541) 9.226 97.194 ( -2.750 7.275 -1.337) 7.891 97.301 ( 4.552 6.762 1.825) 8.353 97.572 ( 7.248 -4.012 0.978) 8.342 97.660 ( -7.201 -3.692 -1.929) 8.319 99.091 ( 2.972 9.835 -0.344) 10.280 99.276 ( -2.800 0.937 0.699) 3.035 ======================= Grid point 50 (29/86) ======================= q-point: ( 0.06 -0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -2.397 8.621 0.708) 8.976 1.712 ( -10.009 6.754 -4.754) 12.977 1.852 ( -8.442 -12.835 -6.470) 16.669 2.019 ( -1.403 7.944 -4.132) 9.063 2.176 ( 6.536 6.476 1.547) 9.331 2.244 ( 1.799 -2.193 1.565) 3.240 2.320 ( 4.461 -2.046 1.760) 5.214 2.397 ( 1.568 0.916 1.586) 2.411 2.582 ( 3.556 2.055 -0.886) 4.201 2.625 ( 2.151 2.174 1.559) 3.433 2.643 ( 2.434 -1.260 4.152) 4.975 2.785 ( 1.986 1.164 -2.814) 3.635 2.909 ( 4.500 -0.646 -0.210) 4.551 3.070 ( -0.583 -1.398 -5.152) 5.370 3.207 ( 0.719 -2.295 0.671) 2.497 3.298 ( 3.231 -4.332 -0.288) 5.412 3.423 ( 1.345 3.593 4.845) 6.180 3.645 ( 2.162 -6.533 5.861) 9.039 3.828 ( 4.759 9.043 4.464) 11.151 4.178 ( 0.168 -0.307 -6.811) 6.820 4.814 ( -7.986 1.184 -1.611) 8.232 5.041 ( -4.895 0.389 2.494) 5.507 6.481 ( -0.247 -3.274 -0.954) 3.419 6.542 ( -0.033 -2.879 -1.868) 3.432 6.603 ( 4.108 -2.774 0.687) 5.004 6.713 ( 7.538 -4.539 1.003) 8.856 7.190 ( -4.694 3.686 1.572) 6.172 7.361 ( -0.226 -3.428 1.020) 3.584 9.418 ( 0.377 0.240 -2.131) 2.177 9.704 ( 4.367 1.914 4.246) 6.385 10.830 ( 0.835 -0.504 0.533) 1.111 10.981 ( 1.742 -2.260 -0.657) 2.928 11.126 ( -4.861 3.424 0.481) 5.965 11.216 ( -6.408 1.024 -1.247) 6.608 11.348 ( -4.079 4.101 0.192) 5.787 11.526 ( -3.497 -1.217 -2.315) 4.367 12.446 ( 0.656 2.638 0.174) 2.724 12.530 ( 2.382 -0.353 0.127) 2.411 12.646 ( 1.578 -1.810 -0.428) 2.439 12.742 ( 0.283 0.078 1.329) 1.361 12.865 ( 0.395 -0.103 -0.072) 0.414 12.931 ( 5.262 -0.719 0.187) 5.314 23.003 ( -2.603 1.921 -4.476) 5.523 23.450 ( 4.383 -3.157 3.729) 6.564 24.150 ( -6.115 -0.134 0.955) 6.191 24.334 ( -0.364 5.678 4.279) 7.119 24.609 ( -0.862 -4.692 -3.015) 5.643 24.725 ( 1.152 -0.088 -0.830) 1.422 27.822 ( -3.548 1.829 -6.360) 7.509 28.342 ( 4.306 -2.003 6.988) 8.449 28.707 ( -2.639 2.131 -1.962) 3.918 28.885 ( -2.739 0.827 2.460) 3.773 28.899 ( -2.760 0.161 0.930) 2.917 29.035 ( -0.431 1.550 0.182) 1.619 29.921 ( 2.077 0.330 -2.142) 3.001 29.987 ( 0.694 -1.021 1.194) 1.717 30.018 ( 1.969 -1.373 -0.800) 2.530 30.138 ( 3.250 -1.092 -2.281) 4.118 42.631 ( -1.271 0.627 -2.033) 2.479 42.763 ( 0.656 -0.945 1.111) 1.599 43.172 ( -1.450 2.413 0.132) 2.818 43.234 ( -2.082 -1.365 -0.635) 2.569 43.310 ( -0.362 0.478 1.297) 1.429 43.336 ( 1.288 0.318 -0.383) 1.381 50.238 ( -1.739 2.224 0.742) 2.919 50.335 ( -1.340 -1.420 2.144) 2.900 50.472 ( 2.036 0.898 -1.967) 2.970 50.555 ( 2.255 -2.500 -0.888) 3.482 85.655 ( -2.496 4.036 -0.258) 4.752 85.788 ( -1.476 2.808 -0.829) 3.279 85.846 ( -1.021 -3.017 -0.776) 3.279 86.106 ( 0.348 0.752 -0.724) 1.101 86.516 ( -7.364 3.370 -9.262) 12.303 88.109 ( 21.054 -6.906 18.288) 28.730 95.157 ( -1.901 1.874 -0.869) 2.808 95.301 ( 0.221 4.336 0.690) 4.396 95.727 ( 7.270 -12.154 -0.411) 14.168 95.906 ( 11.849 -4.793 3.410) 13.229 97.019 ( -1.388 -0.305 -1.623) 2.157 97.263 ( -6.967 -3.557 -3.440) 8.546 97.449 ( -1.572 8.413 -0.850) 8.601 97.785 ( -0.718 -4.834 0.629) 4.927 98.795 ( -11.008 6.615 -2.064) 13.008 99.181 ( -4.905 5.447 2.091) 7.623 ======================= Grid point 52 (30/86) ======================= q-point: ( 0.06 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 9.888 -12.233 -0.000) 15.729 1.878 ( 6.326 3.726 -0.000) 7.342 1.935 ( 2.865 7.729 0.000) 8.243 1.947 ( -4.594 11.085 0.000) 12.000 2.171 ( -6.632 -11.043 0.000) 12.882 2.204 ( -5.295 7.211 0.000) 8.946 2.265 ( 0.039 3.111 0.000) 3.111 2.395 ( 1.069 -6.043 -0.000) 6.137 2.411 ( -1.418 -2.992 0.000) 3.311 2.514 ( -5.731 0.371 0.000) 5.743 2.657 ( -3.926 -3.777 0.000) 5.448 2.760 ( -4.148 5.347 0.000) 6.767 2.814 ( -5.733 -3.193 0.000) 6.562 2.864 ( -9.569 8.676 0.000) 12.917 3.038 ( 7.676 1.324 -0.000) 7.790 3.423 ( 4.562 -2.987 -0.000) 5.453 3.453 ( -5.850 -5.312 0.000) 7.902 3.646 ( -3.986 -5.167 0.000) 6.526 3.688 ( 6.819 -5.348 -0.000) 8.666 4.098 ( -9.496 8.325 0.000) 12.628 5.098 ( 7.258 -3.509 -0.000) 8.062 5.119 ( 5.632 2.775 -0.000) 6.278 6.445 ( -0.170 -0.622 -0.000) 0.645 6.451 ( -1.254 2.623 0.000) 2.908 6.556 ( -0.568 0.389 0.000) 0.688 6.562 ( -2.214 -0.390 0.000) 2.248 7.335 ( 2.170 -2.355 -0.000) 3.203 7.348 ( 1.956 1.054 -0.000) 2.222 9.500 ( -1.008 4.787 0.000) 4.892 9.518 ( -2.948 -5.802 0.000) 6.508 10.817 ( 3.054 0.636 -0.000) 3.120 10.937 ( -1.610 0.499 0.000) 1.685 11.330 ( 7.380 -0.798 -0.000) 7.423 11.360 ( 4.905 -0.700 -0.000) 4.954 11.469 ( 1.892 -1.681 -0.000) 2.531 11.542 ( -1.592 3.567 0.000) 3.906 12.463 ( -2.420 -0.121 0.000) 2.423 12.511 ( -2.623 -5.745 0.000) 6.315 12.524 ( 0.591 3.796 0.000) 3.842 12.638 ( -4.887 1.835 0.000) 5.220 12.852 ( -1.109 -0.488 0.000) 1.211 12.876 ( -1.149 -0.301 0.000) 1.188 23.106 ( 4.386 5.833 -0.000) 7.298 23.314 ( -5.451 -5.358 0.000) 7.644 24.264 ( 5.487 -0.184 -0.000) 5.490 24.388 ( -0.741 -5.704 -0.000) 5.752 24.606 ( 2.554 5.192 -0.000) 5.786 24.710 ( -1.693 -0.202 0.000) 1.705 27.982 ( 5.865 9.302 -0.000) 10.996 28.170 ( -2.150 -8.035 -0.000) 8.318 28.752 ( 0.276 0.188 -0.000) 0.334 28.765 ( -1.427 -2.013 0.000) 2.467 29.060 ( 4.317 3.226 -0.000) 5.389 29.182 ( -1.556 -4.459 -0.000) 4.723 29.834 ( -0.670 3.540 0.000) 3.603 29.874 ( -2.137 -0.574 0.000) 2.212 30.032 ( -0.407 -2.319 -0.000) 2.354 30.092 ( -3.232 2.186 0.000) 3.902 42.682 ( 1.617 2.555 -0.000) 3.024 42.727 ( -0.693 -1.898 -0.000) 2.020 43.250 ( 0.249 -1.534 -0.000) 1.554 43.274 ( 0.181 0.613 0.000) 0.639 43.276 ( 1.902 0.667 -0.000) 2.015 43.315 ( -0.772 -0.038 0.000) 0.773 50.319 ( 2.382 -0.617 -0.000) 2.460 50.346 ( 2.101 -2.851 -0.000) 3.542 50.444 ( -2.735 2.437 0.000) 3.663 50.461 ( -2.570 0.989 0.000) 2.754 85.778 ( 1.508 -4.398 -0.000) 4.649 85.829 ( -1.634 -0.455 0.000) 1.696 85.863 ( 4.950 4.096 -0.000) 6.425 86.097 ( -4.268 0.279 0.000) 4.277 86.744 ( 14.001 16.390 -0.000) 21.556 87.501 ( -22.459 -19.199 0.000) 29.546 95.214 ( 2.398 1.640 -0.000) 2.905 95.322 ( -2.547 -2.154 0.000) 3.335 95.533 ( -2.361 2.308 0.000) 3.302 95.632 ( -7.783 -3.701 0.000) 8.618 97.136 ( 8.539 -1.173 -0.000) 8.620 97.424 ( 7.982 4.013 -0.000) 8.934 97.511 ( -7.011 8.001 0.000) 10.638 97.652 ( -2.562 -8.414 -0.000) 8.795 99.080 ( 10.560 4.619 -0.000) 11.526 99.290 ( -0.250 -4.161 -0.000) 4.169 ======================= Grid point 53 (31/86) ======================= q-point: ( 0.06 0.19 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -10.418 8.901 -0.475) 13.711 1.829 ( -6.348 -7.108 -4.239) 10.430 1.951 ( 2.048 -2.667 3.400) 4.782 2.018 ( -0.394 -8.294 4.288) 9.345 2.157 ( 5.005 5.426 -0.528) 7.401 2.203 ( -3.464 2.066 -3.508) 5.346 2.254 ( 10.437 -5.598 1.654) 11.958 2.334 ( 1.295 4.586 -3.193) 5.736 2.476 ( 0.594 2.391 3.510) 4.288 2.535 ( 3.753 -0.459 1.085) 3.934 2.618 ( 5.224 2.295 -1.998) 6.046 2.708 ( 5.779 -1.773 -3.296) 6.885 2.900 ( 5.273 -2.142 5.640) 8.012 2.909 ( 6.932 -5.368 4.642) 9.921 2.999 ( -6.540 0.065 -3.709) 7.519 3.320 ( 4.059 7.028 -9.326) 12.363 3.457 ( -4.900 -1.319 1.922) 5.426 3.678 ( -7.050 3.716 -0.991) 8.030 3.748 ( 6.219 6.589 7.445) 11.727 4.065 ( 8.691 -7.592 -3.417) 12.036 5.080 ( -7.933 1.374 -1.116) 8.128 5.140 ( -4.854 -0.803 1.453) 5.131 6.439 ( 0.528 -0.984 -0.047) 1.117 6.475 ( 1.338 -0.242 1.774) 2.235 6.534 ( 0.630 -0.113 -1.480) 1.613 6.574 ( 2.092 -0.085 0.369) 2.126 7.329 ( -2.660 0.976 -0.458) 2.870 7.354 ( -1.498 -0.054 0.386) 1.548 9.464 ( -0.192 -0.464 -2.204) 2.261 9.555 ( 4.247 1.183 2.289) 4.968 10.824 ( -2.698 -0.406 0.784) 2.839 10.935 ( 1.634 -0.418 -0.230) 1.702 11.320 ( -7.445 -0.106 -0.788) 7.488 11.360 ( -5.393 1.451 0.059) 5.585 11.478 ( -1.706 1.732 0.768) 2.550 11.533 ( 1.412 -3.347 -0.993) 3.766 12.464 ( 2.111 -0.244 -0.088) 2.127 12.491 ( 0.508 1.286 -0.940) 1.672 12.554 ( 1.826 0.895 1.862) 2.758 12.640 ( 5.220 -1.819 0.244) 5.533 12.844 ( 0.647 0.479 -0.661) 1.041 12.876 ( 1.332 0.140 -0.129) 1.345 23.105 ( -4.387 -4.107 -0.157) 6.011 23.312 ( 5.420 3.765 -0.118) 6.601 24.273 ( -5.720 0.104 0.775) 5.774 24.400 ( 0.705 4.616 1.076) 4.792 24.594 ( -2.492 -4.255 -1.072) 5.046 24.701 ( 1.932 0.169 -0.724) 2.070 27.975 ( -5.883 -5.916 -0.796) 8.381 28.177 ( 2.933 4.903 0.958) 5.793 28.774 ( 0.204 0.459 1.137) 1.243 28.800 ( 0.210 1.106 4.251) 4.398 29.039 ( -3.795 -2.530 -1.873) 4.930 29.127 ( 1.025 3.025 -5.241) 6.137 29.864 ( 0.857 -2.627 2.380) 3.647 29.892 ( 1.744 0.664 2.080) 2.795 30.019 ( 0.503 1.937 -1.287) 2.380 30.077 ( 3.284 -1.752 -1.461) 3.998 42.679 ( -1.690 -1.665 -0.267) 2.388 42.730 ( 0.814 1.203 0.311) 1.485 43.237 ( -1.029 0.359 -0.947) 1.444 43.269 ( -0.868 0.575 -0.166) 1.054 43.294 ( -0.197 -0.929 1.086) 1.443 43.315 ( 0.527 0.199 0.071) 0.568 50.318 ( -2.414 0.468 -0.058) 2.459 50.346 ( -2.095 1.953 -0.033) 2.865 50.445 ( 2.757 -1.683 0.080) 3.231 50.461 ( 2.563 -0.709 -0.023) 2.659 85.776 ( -1.341 3.477 -0.315) 3.740 85.823 ( -0.151 -1.561 -0.770) 1.747 85.869 ( -3.656 -1.036 0.775) 3.879 86.087 ( 3.214 -0.891 -1.029) 3.490 86.757 ( -12.894 -11.039 1.314) 17.025 87.500 ( 22.724 13.368 -0.020) 26.364 95.216 ( -2.366 -1.175 0.199) 2.649 95.321 ( 2.461 1.485 -0.143) 2.878 95.528 ( 2.188 -1.436 -0.530) 2.670 95.636 ( 7.919 2.481 0.392) 8.308 97.144 ( -8.676 1.120 0.923) 8.796 97.392 ( -6.660 -3.580 -2.666) 8.017 97.546 ( 6.067 -7.238 2.961) 9.898 97.638 ( 2.471 8.001 -1.400) 8.490 99.082 ( -10.567 -3.374 0.141) 11.094 99.291 ( 0.129 3.029 -0.001) 3.032 ======================= Grid point 56 (32/86) ======================= q-point: ( 0.06 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -1.830 6.446 4.370) 8.000 1.603 ( 2.576 -0.702 -4.695) 5.401 1.730 ( 7.043 1.992 3.922) 8.304 1.867 ( 7.467 0.068 -1.118) 7.551 2.103 ( -2.396 9.826 -0.114) 10.115 2.317 ( 2.423 -3.050 -1.153) 4.062 2.397 ( -2.350 -3.016 0.784) 3.903 2.465 ( -0.751 -1.927 -1.537) 2.577 2.553 ( -3.844 -0.116 -1.752) 4.225 2.771 ( -4.605 -3.834 1.423) 6.159 2.845 ( 0.397 -0.800 1.326) 1.598 2.949 ( -0.704 5.900 -1.202) 6.063 3.026 ( -5.537 -9.748 2.348) 11.454 3.110 ( -3.065 -2.134 3.138) 4.879 3.217 ( 3.194 -0.064 -1.532) 3.543 3.292 ( -9.108 -0.043 -1.190) 9.185 3.495 ( -9.802 8.689 -5.286) 14.125 3.620 ( -0.084 1.389 5.904) 6.066 3.996 ( -5.139 -6.267 -5.110) 9.582 4.242 ( 3.874 -0.289 4.646) 6.057 4.708 ( 3.986 -1.158 2.088) 4.646 4.816 ( 8.998 0.513 -3.073) 9.522 6.462 ( -0.423 -0.659 -0.200) 0.808 6.509 ( 2.021 -1.099 0.092) 2.302 6.626 ( -5.946 4.163 0.878) 7.312 6.763 ( -6.750 1.646 -1.802) 7.178 7.141 ( 6.418 0.524 1.711) 6.663 7.240 ( 3.028 -5.509 -1.652) 6.500 9.486 ( 0.297 0.864 2.197) 2.380 9.800 ( -7.180 -3.513 -2.839) 8.483 10.830 ( -3.427 1.164 -0.893) 3.728 10.990 ( -2.228 -0.142 0.040) 2.233 11.091 ( 1.274 0.753 0.809) 1.686 11.171 ( 4.259 -1.142 1.565) 4.679 11.253 ( 6.917 -0.808 -2.002) 7.246 11.391 ( 7.884 3.724 1.408) 8.832 12.491 ( 0.260 0.653 1.520) 1.675 12.596 ( 0.599 -0.782 -3.180) 3.330 12.620 ( -3.372 0.443 1.504) 3.719 12.772 ( -2.734 -0.921 -1.030) 3.064 12.898 ( -0.040 0.042 1.373) 1.374 13.039 ( -4.554 -0.577 -0.436) 4.611 22.980 ( 1.698 4.114 -0.021) 4.451 23.497 ( -3.140 -3.537 0.322) 4.741 24.029 ( 4.607 -0.882 -0.088) 4.692 24.390 ( 0.483 -5.652 -0.973) 5.756 24.531 ( 0.643 4.002 0.941) 4.161 24.720 ( 0.409 1.250 0.032) 1.315 27.793 ( 2.658 5.843 0.440) 6.434 28.266 ( -3.832 -0.317 -4.320) 5.783 28.755 ( 2.979 -1.776 -1.047) 3.622 28.813 ( 2.568 -0.303 3.132) 4.062 28.880 ( -1.518 -2.230 0.603) 2.765 29.094 ( 3.217 -3.869 2.831) 5.773 29.946 ( -1.585 3.565 -3.981) 5.574 29.962 ( -1.897 0.604 0.319) 2.016 30.076 ( -1.521 -1.124 1.240) 2.262 30.206 ( -1.671 1.541 0.734) 2.389 42.612 ( 1.243 2.057 0.149) 2.408 42.757 ( -0.716 -0.847 -0.261) 1.140 43.177 ( 1.444 1.620 0.844) 2.329 43.195 ( 2.032 -1.677 0.427) 2.669 43.294 ( -0.576 -1.382 -1.709) 2.272 43.356 ( -0.750 1.009 0.324) 1.298 50.249 ( 0.909 -0.580 0.107) 1.084 50.279 ( 0.954 -1.660 -0.039) 1.915 50.540 ( -1.455 1.212 -0.069) 1.894 50.547 ( -1.326 0.947 0.081) 1.631 85.690 ( 1.303 1.919 -0.122) 2.322 85.742 ( 1.574 1.383 1.079) 2.357 85.909 ( -1.452 -5.656 -0.242) 5.844 86.034 ( 4.346 4.194 2.382) 6.492 86.500 ( 0.899 5.862 -1.993) 6.257 88.406 ( -17.280 -15.524 -0.858) 23.245 95.149 ( 0.830 0.685 -0.178) 1.091 95.395 ( -1.039 0.835 0.174) 1.344 95.694 ( -3.104 -4.360 -0.640) 5.390 96.125 ( -13.537 -0.810 3.312) 13.960 96.974 ( -2.155 2.995 -3.278) 4.935 97.191 ( -0.772 3.035 2.449) 3.976 97.373 ( 10.521 -1.512 -3.163) 11.090 97.630 ( 10.623 3.214 1.407) 11.187 98.653 ( 4.685 1.454 -0.158) 4.908 99.190 ( 3.494 -2.434 0.412) 4.278 ======================= Grid point 57 (33/86) ======================= q-point: ( 0.06 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 12.911 -11.140 -0.000) 17.052 1.786 ( -3.275 -13.340 -0.000) 13.736 1.814 ( -7.958 -3.339 0.000) 8.630 2.067 ( -3.315 5.490 0.000) 6.414 2.130 ( -7.379 12.607 0.000) 14.608 2.232 ( 3.061 -0.883 -0.000) 3.186 2.346 ( -1.631 0.037 0.000) 1.631 2.380 ( 4.523 5.024 -0.000) 6.759 2.433 ( 3.276 4.365 -0.000) 5.458 2.583 ( 0.686 8.627 0.000) 8.654 2.639 ( -2.752 -1.950 0.000) 3.373 2.666 ( 2.321 -2.830 -0.000) 3.660 2.797 ( 0.649 6.163 0.000) 6.197 2.828 ( -8.456 6.172 0.000) 10.469 3.172 ( -5.834 0.718 0.000) 5.878 3.378 ( 7.604 1.717 -0.000) 7.796 3.474 ( 2.765 0.506 -0.000) 2.811 3.556 ( 8.547 -1.207 -0.000) 8.632 3.802 ( 8.017 -2.173 -0.000) 8.307 4.024 ( -12.001 6.383 0.000) 13.593 5.051 ( -0.184 -8.998 -0.000) 9.000 5.175 ( 0.556 -2.986 -0.000) 3.038 6.440 ( -1.374 0.228 0.000) 1.393 6.479 ( -1.083 2.409 0.000) 2.641 6.556 ( 1.464 2.476 -0.000) 2.876 6.574 ( -0.919 2.068 0.000) 2.263 7.323 ( 1.291 -3.194 -0.000) 3.445 7.356 ( 0.057 -1.462 -0.000) 1.464 9.396 ( 0.181 -3.215 -0.000) 3.220 9.629 ( 0.858 7.910 0.000) 7.956 10.888 ( -3.780 0.357 0.000) 3.797 10.896 ( 2.602 1.032 -0.000) 2.799 11.324 ( 3.925 -8.986 -0.000) 9.806 11.356 ( -3.432 -5.682 0.000) 6.639 11.469 ( 4.321 -1.254 -0.000) 4.500 11.502 ( -5.066 -1.005 0.000) 5.165 12.435 ( 1.333 0.265 -0.000) 1.359 12.494 ( 2.947 0.826 -0.000) 3.060 12.576 ( -5.265 3.222 0.000) 6.173 12.670 ( 1.238 8.883 0.000) 8.969 12.848 ( -0.351 -0.372 0.000) 0.511 12.851 ( 1.034 -0.579 -0.000) 1.185 23.098 ( -5.449 -4.786 0.000) 7.252 23.320 ( 4.981 5.657 -0.000) 7.538 24.265 ( -0.025 -5.621 -0.000) 5.622 24.381 ( 5.768 0.439 -0.000) 5.784 24.609 ( -5.091 -2.255 0.000) 5.568 24.714 ( 0.258 1.968 0.000) 1.985 27.933 ( -5.633 -6.882 0.000) 8.894 28.298 ( 4.734 10.709 0.000) 11.709 28.717 ( 0.794 -2.089 -0.000) 2.235 28.752 ( 0.684 -1.521 -0.000) 1.668 29.043 ( -2.299 -5.253 -0.000) 5.734 29.173 ( 3.381 0.027 -0.000) 3.381 29.829 ( -2.734 0.858 0.000) 2.865 29.906 ( 0.032 4.436 0.000) 4.436 30.001 ( 1.335 -1.333 -0.000) 1.886 30.088 ( -1.361 1.996 0.000) 2.416 42.663 ( -1.394 -2.221 0.000) 2.622 42.750 ( 0.707 1.802 0.000) 1.936 43.218 ( 1.456 -2.500 -0.000) 2.893 43.269 ( -2.009 -1.202 0.000) 2.342 43.299 ( 0.520 0.673 -0.000) 0.850 43.325 ( 0.364 1.143 0.000) 1.199 50.318 ( 0.602 -2.506 -0.000) 2.577 50.342 ( 2.660 -2.167 -0.000) 3.431 50.450 ( -2.329 2.846 0.000) 3.678 50.461 ( -0.892 2.623 0.000) 2.771 85.738 ( 2.986 -3.512 -0.000) 4.610 85.799 ( -0.093 -2.015 -0.000) 2.017 85.953 ( -6.562 -2.440 0.000) 7.001 86.002 ( 4.175 0.682 -0.000) 4.230 86.798 ( -18.519 -9.402 0.000) 20.769 87.524 ( 21.329 24.807 -0.000) 32.715 95.221 ( -2.139 -2.173 0.000) 3.049 95.315 ( 3.007 2.322 -0.000) 3.799 95.497 ( -1.485 0.371 0.000) 1.531 95.663 ( 2.450 9.310 0.000) 9.627 97.209 ( 6.419 -5.918 -0.000) 8.731 97.282 ( -9.174 -7.459 0.000) 11.824 97.563 ( -6.992 3.456 0.000) 7.800 97.679 ( 7.164 3.613 -0.000) 8.024 99.095 ( -4.614 -9.432 0.000) 10.501 99.268 ( 4.341 -1.334 -0.000) 4.542 ======================= Grid point 58 (34/86) ======================= q-point: ( 0.06 0.19 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -8.548 -10.872 -5.992) 15.073 1.684 ( -12.700 -6.462 7.523) 16.113 1.789 ( 1.226 -14.209 5.356) 15.234 1.847 ( -3.346 10.350 -1.931) 11.047 2.149 ( -3.974 5.832 -0.315) 7.064 2.299 ( 10.469 -5.040 0.069) 11.619 2.364 ( 4.160 -2.745 1.487) 5.201 2.461 ( 1.844 3.278 -0.984) 3.888 2.505 ( 0.324 1.806 -0.736) 1.977 2.636 ( 0.571 -5.867 -1.664) 6.125 2.713 ( 4.881 1.430 -0.324) 5.096 2.843 ( 3.485 -0.954 -2.636) 4.473 2.887 ( 8.787 -3.229 0.903) 9.405 3.077 ( 7.483 3.423 3.791) 9.060 3.190 ( 4.459 7.862 0.249) 9.042 3.306 ( -4.486 -1.817 1.284) 5.007 3.416 ( -5.461 2.699 -5.503) 8.209 3.684 ( -2.264 3.299 -4.729) 6.194 3.987 ( 7.106 -3.738 -1.640) 8.195 4.041 ( 2.686 -2.432 3.579) 5.093 4.864 ( -6.431 -5.405 -0.035) 8.401 5.015 ( -5.687 4.006 -0.001) 6.956 6.485 ( 2.518 1.944 0.941) 3.317 6.526 ( 0.718 3.521 1.908) 4.068 6.619 ( 3.735 4.672 -0.705) 6.023 6.638 ( 2.302 2.398 0.594) 3.377 7.223 ( -4.219 -1.739 -1.803) 4.907 7.382 ( 1.658 4.286 -0.364) 4.610 9.441 ( 0.941 -2.114 -1.321) 2.665 9.703 ( 4.209 1.524 0.338) 4.489 10.798 ( 0.061 1.007 1.534) 1.836 10.968 ( 1.533 1.466 0.170) 2.128 11.140 ( -5.251 -3.069 -1.159) 6.191 11.276 ( -4.886 0.185 -0.392) 4.905 11.331 ( -3.822 -6.780 0.184) 7.785 11.481 ( -4.853 0.158 0.853) 4.930 12.446 ( 0.373 -2.271 -0.965) 2.496 12.547 ( 2.383 0.401 -1.294) 2.741 12.623 ( -0.303 -0.507 2.888) 2.948 12.740 ( 3.150 3.296 0.204) 4.563 12.882 ( 0.467 -0.642 -0.741) 1.086 12.940 ( 4.789 0.960 -0.620) 4.923 22.942 ( -2.948 -4.150 2.327) 5.598 23.503 ( 4.656 4.850 -2.151) 7.059 24.167 ( -5.479 0.868 -0.344) 5.558 24.405 ( -0.731 -4.259 -4.135) 5.981 24.562 ( 0.169 4.445 3.221) 5.492 24.704 ( 0.096 -0.749 0.322) 0.820 27.741 ( -4.188 -6.096 3.948) 8.384 28.302 ( -1.442 5.141 -0.709) 5.386 28.766 ( 1.159 -1.502 0.997) 2.143 28.868 ( 1.321 2.410 1.076) 2.952 28.895 ( -3.893 -2.857 -0.226) 4.835 29.178 ( 0.155 0.732 -9.592) 9.621 29.849 ( 1.638 -1.401 5.433) 5.844 29.941 ( 0.492 1.506 1.884) 2.462 30.066 ( 1.427 0.124 -1.708) 2.229 30.121 ( 3.045 -0.801 0.252) 3.159 42.604 ( -1.700 -1.833 0.955) 2.676 42.770 ( 0.583 1.344 -0.075) 1.467 43.176 ( -2.004 -1.925 -1.143) 3.004 43.267 ( -1.524 0.824 0.472) 1.795 43.303 ( 1.152 -0.640 0.103) 1.321 43.314 ( -0.106 0.238 0.326) 0.418 50.260 ( -1.585 -1.414 -1.488) 2.593 50.359 ( -1.730 2.860 0.022) 3.343 50.452 ( 2.459 -2.273 -0.388) 3.371 50.529 ( 2.109 1.647 1.748) 3.196 85.654 ( -4.093 -5.399 0.092) 6.776 85.802 ( -1.448 1.364 -1.197) 2.321 85.889 ( 2.197 -2.099 1.492) 3.385 86.048 ( -2.994 -0.821 -5.188) 6.046 86.421 ( -2.767 -7.558 11.062) 13.680 88.314 ( 21.296 19.528 -11.333) 31.037 95.142 ( -1.754 -2.292 0.761) 2.985 95.307 ( -0.384 -3.614 -0.756) 3.712 95.758 ( 9.560 11.283 -1.244) 14.841 95.953 ( 12.372 8.114 -1.925) 14.920 96.967 ( -4.582 -2.051 2.725) 5.712 97.234 ( -6.814 0.812 -0.307) 6.869 97.429 ( -0.282 -7.584 2.649) 8.038 97.793 ( -2.716 3.821 -0.067) 4.689 98.728 ( -11.612 -7.317 1.212) 13.778 99.240 ( -4.046 -4.509 -1.533) 6.249 ======================= Grid point 60 (35/86) ======================= q-point: ( 0.06 0.69 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -1.548 -6.705 1.117) 6.972 1.757 ( 9.170 -3.745 0.678) 9.928 1.982 ( 7.238 8.583 7.201) 13.338 2.058 ( 0.269 -0.853 0.234) 0.925 2.169 ( -4.855 -5.835 -1.141) 7.676 2.238 ( -1.352 2.666 2.062) 3.632 2.288 ( -2.682 0.997 -1.301) 3.143 2.368 ( -1.143 -2.995 -1.636) 3.599 2.550 ( -1.153 2.799 -4.676) 5.570 2.568 ( 1.088 -1.978 -2.590) 3.436 2.634 ( -9.946 -7.748 2.326) 12.820 2.841 ( -4.788 -1.580 2.420) 5.592 2.920 ( 2.838 2.609 1.229) 4.047 3.138 ( 1.920 0.661 -1.279) 2.400 3.192 ( -5.584 5.042 2.052) 7.798 3.268 ( 2.857 -0.323 -1.199) 3.115 3.438 ( -8.053 -2.644 3.768) 9.275 3.540 ( -0.666 3.341 -4.562) 5.694 3.724 ( -6.631 -6.981 -6.518) 11.627 4.278 ( 1.573 -1.636 3.884) 4.498 4.847 ( 6.251 0.145 1.889) 6.532 4.992 ( 6.557 -1.200 -2.637) 7.169 6.487 ( 0.481 3.810 -0.194) 3.845 6.576 ( 0.828 3.885 1.203) 4.150 6.606 ( -5.588 3.362 1.426) 6.675 6.687 ( -6.982 4.615 -1.716) 8.544 7.172 ( 5.082 -4.690 -0.491) 6.933 7.338 ( 1.333 2.242 -1.172) 2.859 9.465 ( -2.136 -2.046 2.877) 4.126 9.625 ( -1.588 -0.751 -4.141) 4.499 10.822 ( -0.441 2.070 -0.316) 2.140 10.990 ( -1.201 2.582 0.224) 2.856 11.123 ( 4.270 -4.139 0.070) 5.947 11.243 ( 4.920 -1.156 1.718) 5.338 11.337 ( 4.585 -3.709 -0.997) 5.981 11.559 ( 2.791 0.753 1.256) 3.152 12.448 ( -1.390 -3.417 0.390) 3.710 12.526 ( -3.464 -0.238 -0.375) 3.492 12.634 ( 0.561 4.100 -1.213) 4.312 12.739 ( -0.232 0.248 0.452) 0.566 12.870 ( -1.223 -0.649 0.671) 1.538 12.921 ( -4.597 -0.373 -0.946) 4.708 23.093 ( 2.427 1.726 4.923) 5.754 23.374 ( -4.341 -0.158 -4.219) 6.055 24.130 ( 6.253 -0.436 -1.001) 6.347 24.269 ( 0.434 -6.799 -2.642) 7.307 24.655 ( 1.294 4.966 1.861) 5.458 24.742 ( -1.477 0.719 0.858) 1.853 27.950 ( 2.682 1.950 7.299) 8.017 28.216 ( -1.849 2.818 -6.781) 7.572 28.728 ( -0.022 -3.745 0.087) 3.746 28.776 ( 0.681 -1.189 -4.966) 5.151 28.949 ( 5.704 -1.628 3.694) 6.988 29.052 ( 1.281 -3.911 0.432) 4.138 29.936 ( -1.930 0.165 0.148) 1.943 29.963 ( -1.483 1.432 -1.341) 2.459 30.034 ( -2.520 2.651 0.749) 3.734 30.179 ( -3.384 1.318 1.752) 4.033 42.671 ( 0.734 0.393 2.221) 2.372 42.740 ( -0.417 1.085 -1.459) 1.866 43.176 ( 0.873 -3.091 0.564) 3.261 43.241 ( 2.183 0.558 0.027) 2.254 43.284 ( 1.112 0.425 -1.337) 1.790 43.342 ( -1.403 -0.434 0.221) 1.485 50.235 ( 1.724 -2.386 0.467) 2.981 50.292 ( 1.328 -0.644 -2.341) 2.767 50.512 ( -1.998 1.106 2.158) 3.142 50.561 ( -2.281 2.722 -0.248) 3.560 85.659 ( 1.150 -3.924 0.158) 4.092 85.792 ( 0.536 -4.481 -0.146) 4.515 85.870 ( 1.567 4.201 1.378) 4.691 86.117 ( -0.240 -1.949 0.396) 2.003 86.701 ( 9.387 6.481 9.848) 15.070 87.784 ( -18.744 -6.181 -15.600) 25.158 95.172 ( 2.122 -1.017 0.680) 2.449 95.287 ( -0.592 -5.251 -0.676) 5.327 95.729 ( -5.072 11.432 -0.224) 12.509 95.864 ( -13.673 3.591 -1.223) 14.190 97.048 ( 0.270 3.323 1.301) 3.579 97.323 ( 6.828 3.771 2.829) 8.297 97.462 ( 3.402 -7.611 0.447) 8.348 97.761 ( -1.912 4.512 -1.634) 5.166 98.846 ( 12.377 -3.056 3.075) 13.115 99.132 ( 4.002 -8.971 -2.865) 10.232 ======================= Grid point 61 (36/86) ======================= q-point: ( 0.06 -0.06 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -16.444 -9.455 0.000) 18.969 1.418 ( -2.343 -11.270 -0.000) 11.511 1.730 ( 16.763 -6.249 -0.000) 17.890 1.915 ( -18.458 1.136 0.000) 18.493 2.248 ( -2.252 8.532 0.000) 8.824 2.279 ( -0.342 1.975 0.000) 2.004 2.324 ( -1.859 2.562 0.000) 3.165 2.471 ( 3.948 -4.395 -0.000) 5.908 2.594 ( -1.140 2.282 0.000) 2.552 2.605 ( 5.239 3.573 -0.000) 6.341 2.691 ( -0.515 5.600 0.000) 5.624 2.748 ( -6.531 4.664 0.000) 8.025 2.948 ( -0.274 3.878 0.000) 3.888 2.950 ( 8.238 7.565 -0.000) 11.185 3.211 ( 2.925 1.647 -0.000) 3.357 3.251 ( 0.168 -7.039 -0.000) 7.041 3.708 ( -5.574 1.014 0.000) 5.665 3.762 ( 6.166 -2.818 -0.000) 6.780 3.850 ( 0.452 4.124 0.000) 4.149 3.975 ( -0.716 6.652 0.000) 6.690 4.784 ( -3.014 -9.739 -0.000) 10.195 5.089 ( 0.929 -3.250 -0.000) 3.380 6.450 ( 2.250 1.073 -0.000) 2.493 6.503 ( 1.394 -0.450 -0.000) 1.465 6.633 ( 0.880 4.233 0.000) 4.323 6.723 ( 4.748 6.384 -0.000) 7.956 7.256 ( -0.063 -3.112 -0.000) 3.113 7.363 ( 4.493 1.383 -0.000) 4.701 9.378 ( 1.096 -0.789 -0.000) 1.350 9.800 ( -1.704 7.743 0.000) 7.928 10.842 ( -1.972 1.850 0.000) 2.704 10.968 ( 1.697 2.263 -0.000) 2.829 11.162 ( -4.067 -5.225 0.000) 6.621 11.174 ( 0.615 -9.102 -0.000) 9.122 11.348 ( -4.576 -3.459 0.000) 5.736 11.458 ( 1.590 -5.300 -0.000) 5.533 12.455 ( -1.412 0.427 0.000) 1.475 12.538 ( 1.084 -1.238 -0.000) 1.646 12.609 ( -1.286 5.073 0.000) 5.233 12.809 ( -0.568 2.870 0.000) 2.926 12.848 ( 0.590 -1.761 -0.000) 1.857 12.930 ( 2.641 5.400 -0.000) 6.011 22.914 ( -4.488 -3.283 0.000) 5.560 23.526 ( 5.116 4.781 -0.000) 7.002 24.164 ( 1.099 -5.284 -0.000) 5.398 24.465 ( -5.057 -0.881 0.000) 5.133 24.509 ( 5.825 0.547 -0.000) 5.851 24.713 ( -1.141 0.050 0.000) 1.142 27.689 ( -6.443 -4.861 0.000) 8.072 28.513 ( -3.238 4.895 0.000) 5.869 28.712 ( 1.565 -0.971 -0.000) 1.842 28.779 ( 5.917 1.638 -0.000) 6.140 28.897 ( -2.530 -3.892 0.000) 4.642 29.218 ( 4.815 -2.767 -0.000) 5.553 29.781 ( -3.829 0.471 0.000) 3.858 29.992 ( -1.245 4.044 0.000) 4.231 30.021 ( 2.023 -0.413 -0.000) 2.065 30.105 ( -0.285 1.023 0.000) 1.061 42.589 ( -1.694 -1.827 0.000) 2.492 42.786 ( 0.420 0.870 -0.000) 0.966 43.188 ( -2.248 -2.157 0.000) 3.115 43.211 ( 2.004 -1.740 -0.000) 2.654 43.325 ( 0.505 0.678 -0.000) 0.845 43.332 ( -1.364 0.606 0.000) 1.493 50.277 ( -0.424 -1.515 -0.000) 1.574 50.345 ( 1.582 -1.569 -0.000) 2.228 50.475 ( -0.678 2.414 0.000) 2.507 50.504 ( 0.383 1.921 0.000) 1.959 85.648 ( -5.886 -5.038 0.000) 7.748 85.748 ( 2.722 -1.869 -0.000) 3.302 85.851 ( -0.344 -1.998 -0.000) 2.027 86.082 ( 4.045 -0.193 -0.000) 4.049 86.337 ( -15.148 -3.888 0.000) 15.639 88.519 ( 22.387 27.220 -0.000) 35.243 95.137 ( -2.598 -1.702 0.000) 3.106 95.313 ( -3.479 -0.494 0.000) 3.513 95.712 ( 13.304 7.740 -0.000) 15.392 96.014 ( 8.178 14.924 -0.000) 17.018 96.982 ( -6.436 -5.691 0.000) 8.591 97.184 ( 3.509 -5.870 -0.000) 6.839 97.430 ( -9.077 0.062 0.000) 9.077 97.768 ( 3.630 -6.799 -0.000) 7.707 98.776 ( -8.613 -7.697 0.000) 11.551 99.208 ( -2.629 -5.890 -0.000) 6.450 ======================= Grid point 63 (37/86) ======================= q-point: ( 0.06 0.44 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -2.239 -8.979 10.866) 14.272 1.301 ( 11.303 -9.540 9.804) 17.745 1.711 ( 4.007 -16.559 11.644) 20.636 1.993 ( 4.629 10.848 -0.783) 11.820 2.229 ( -6.496 -3.859 -4.314) 8.701 2.278 ( 0.162 4.560 0.949) 4.661 2.398 ( -3.466 -3.623 -4.322) 6.619 2.464 ( -4.663 1.161 -2.905) 5.615 2.579 ( 2.850 2.409 -3.656) 5.224 2.632 ( 0.980 -1.439 -2.980) 3.451 2.657 ( -4.306 -3.679 -0.510) 5.687 2.861 ( 0.296 -1.153 3.225) 3.438 2.917 ( -3.501 -1.655 0.108) 3.874 3.051 ( 2.859 0.237 -3.007) 4.156 3.132 ( 3.788 -4.690 -1.390) 6.187 3.202 ( 6.586 -0.816 -4.091) 7.796 3.425 ( -7.604 -5.365 3.267) 9.863 3.585 ( 6.496 -13.922 2.099) 15.505 3.805 ( 4.083 -1.483 -4.015) 5.916 3.992 ( 2.422 -7.919 -0.185) 8.284 4.800 ( -0.859 4.035 3.175) 5.206 5.123 ( -2.643 9.499 -4.562) 10.864 6.540 ( 1.409 4.681 0.401) 4.905 6.619 ( 1.153 5.669 2.136) 6.167 6.731 ( -3.326 0.704 0.845) 3.503 7.006 ( -8.034 5.075 -1.306) 9.592 7.071 ( 2.639 0.440 -2.574) 3.713 7.552 ( -5.191 9.173 -6.465) 12.365 9.403 ( 0.237 -1.679 1.579) 2.318 9.626 ( 1.266 -8.704 -4.967) 10.101 10.885 ( -2.227 0.743 0.714) 2.454 11.028 ( 1.687 -2.982 -0.338) 3.442 11.055 ( 0.734 2.714 0.467) 2.850 11.131 ( -0.860 2.327 1.804) 3.067 11.220 ( 0.772 -0.984 1.039) 1.625 11.456 ( 4.930 1.584 2.845) 5.908 12.418 ( -1.049 -1.703 -0.054) 2.001 12.552 ( -0.703 -1.511 1.949) 2.564 12.627 ( 2.497 -3.452 0.604) 4.303 12.739 ( 0.135 0.254 -2.510) 2.527 12.849 ( 0.111 -0.864 -0.567) 1.039 12.984 ( -0.888 -2.830 -1.785) 3.462 22.928 ( 1.128 -1.762 7.229) 7.525 23.611 ( -3.522 4.870 -6.460) 8.823 24.060 ( 3.979 1.177 -1.689) 4.480 24.224 ( -0.330 -5.478 -5.331) 7.651 24.702 ( -0.155 5.176 2.766) 5.871 24.768 ( -1.449 1.623 2.187) 3.085 27.766 ( 0.363 0.439 11.868) 11.882 28.427 ( -3.490 -2.584 -3.577) 5.626 28.609 ( 5.720 1.777 -2.302) 6.417 28.794 ( 1.110 -1.537 0.501) 1.961 28.843 ( 1.877 -2.721 -7.760) 8.435 28.978 ( 0.833 -2.965 -2.611) 4.038 29.931 ( -1.299 -2.952 0.916) 3.353 29.973 ( 1.523 -0.543 -1.065) 1.936 30.141 ( -2.200 5.651 4.451) 7.522 30.218 ( -2.796 1.304 3.736) 4.845 42.605 ( 0.395 -0.152 3.739) 3.763 42.814 ( -1.145 2.682 -0.456) 2.951 43.095 ( 1.112 -2.251 -0.196) 2.519 43.224 ( 1.104 0.630 -0.613) 1.412 43.286 ( 0.760 -0.692 -1.019) 1.448 43.338 ( -0.438 -1.408 -0.048) 1.475 50.172 ( 0.846 -1.582 -1.197) 2.156 50.341 ( 0.335 0.775 -4.325) 4.406 50.494 ( -0.911 0.056 4.136) 4.235 50.638 ( -1.292 2.095 1.451) 2.857 85.556 ( 0.520 -2.399 2.289) 3.356 85.679 ( 1.635 -4.457 -1.471) 4.971 85.886 ( 1.043 2.576 2.720) 3.889 86.020 ( 0.901 -6.407 1.579) 6.660 86.407 ( 2.446 2.315 11.976) 12.441 88.384 ( -3.797 -9.976 -36.535) 38.062 95.074 ( 1.318 -2.732 1.295) 3.298 95.205 ( 0.812 -3.655 -1.239) 3.944 96.192 ( -5.077 17.015 -4.608) 18.344 96.326 ( -16.076 11.868 0.967) 20.005 97.130 ( 1.712 3.294 1.581) 4.035 97.247 ( 4.394 -3.294 -0.004) 5.492 97.279 ( -6.852 5.734 7.823) 11.875 97.802 ( 5.608 6.219 4.853) 9.679 98.382 ( 9.018 -14.856 1.591) 17.452 98.882 ( 6.643 -11.750 -4.032) 14.087 ======================= Grid point 64 (38/86) ======================= q-point: ( 0.06 0.69 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 5.516 -2.654 0.323) 6.130 1.703 ( -7.393 -7.871 -2.309) 11.043 1.867 ( 7.534 -2.027 0.536) 7.821 2.070 ( -0.037 -5.462 4.530) 7.096 2.147 ( -5.171 -0.820 3.266) 6.171 2.302 ( 0.969 3.779 -0.187) 3.906 2.352 ( 0.473 2.927 -2.523) 3.893 2.402 ( 1.250 -0.535 -1.144) 1.776 2.537 ( 8.411 6.788 1.722) 10.945 2.600 ( 0.095 3.574 -1.565) 3.903 2.629 ( 0.426 2.301 -2.518) 3.438 2.764 ( -3.665 3.992 0.911) 5.495 3.029 ( 3.832 -0.354 2.082) 4.375 3.105 ( -4.323 0.543 -5.326) 6.881 3.235 ( -0.214 3.600 7.142) 8.001 3.299 ( -6.001 3.734 2.390) 7.461 3.371 ( 6.359 0.511 1.360) 6.523 3.527 ( -2.587 2.120 -4.736) 5.798 3.709 ( 8.360 4.137 -8.777) 12.807 4.236 ( -2.026 -1.849 3.308) 4.297 4.857 ( -0.658 -6.330 -0.259) 6.369 5.016 ( 2.879 -5.186 0.005) 5.932 6.517 ( -5.138 -0.172 0.180) 5.144 6.579 ( -4.335 0.510 0.261) 4.373 6.612 ( -0.078 6.383 0.501) 6.403 6.686 ( -3.753 5.703 1.851) 7.073 7.179 ( 3.368 -4.182 -0.291) 5.377 7.324 ( -1.710 -2.330 -2.027) 3.530 9.384 ( -0.947 -0.573 -1.123) 1.576 9.720 ( 4.358 5.085 0.395) 6.709 10.878 ( 0.794 2.419 1.914) 3.185 10.981 ( -3.401 1.104 0.398) 3.598 11.101 ( 2.404 -4.125 -0.609) 4.813 11.265 ( 0.268 -5.988 -0.061) 5.995 11.312 ( 4.997 -4.555 -0.918) 6.823 11.509 ( -2.486 -5.076 0.320) 5.661 12.420 ( 1.782 0.888 -0.182) 1.999 12.497 ( -0.227 1.121 -1.186) 1.648 12.730 ( -1.058 0.268 1.747) 2.060 12.774 ( 0.640 4.752 2.229) 5.288 12.847 ( -0.212 0.846 -0.992) 1.321 12.882 ( -0.263 2.829 -2.330) 3.675 23.083 ( -2.049 -2.625 4.326) 5.460 23.380 ( 0.354 4.408 -3.751) 5.799 24.132 ( 0.392 -6.423 -1.199) 6.545 24.263 ( 6.536 -0.327 -2.394) 6.969 24.663 ( -4.906 -1.190 1.561) 5.284 24.739 ( -0.382 1.471 1.207) 1.941 27.914 ( -3.351 -2.834 3.423) 5.565 28.352 ( 3.500 6.607 3.561) 8.281 28.688 ( 0.733 -1.713 -3.098) 3.615 28.761 ( 1.307 -1.997 -6.959) 7.357 28.926 ( 0.967 -5.228 0.908) 5.393 29.038 ( 2.729 -3.028 2.331) 4.696 29.913 ( -0.490 1.024 0.851) 1.419 29.980 ( -0.139 1.646 -2.566) 3.052 30.067 ( -2.867 5.079 1.152) 5.945 30.142 ( -2.363 1.256 1.357) 3.001 42.649 ( -0.990 -1.220 0.934) 1.828 42.772 ( -0.214 1.401 0.230) 1.436 43.138 ( 1.626 -2.432 -0.583) 2.983 43.279 ( -1.551 -1.843 -0.043) 2.409 43.287 ( 1.313 -0.182 -0.621) 1.463 43.331 ( 0.996 1.273 0.429) 1.672 50.234 ( 2.317 -1.748 0.408) 2.931 50.290 ( 0.556 -1.369 -2.365) 2.789 50.514 ( -1.024 2.022 2.184) 3.147 50.562 ( -2.664 2.315 -0.207) 3.535 85.642 ( 3.050 -1.115 -0.723) 3.327 85.747 ( 1.164 -2.279 -0.822) 2.688 85.949 ( 1.747 0.097 1.215) 2.130 85.976 ( -4.333 -4.535 0.015) 6.272 86.886 ( -4.602 -3.075 12.798) 13.944 87.722 ( 8.970 17.283 -16.298) 25.393 95.183 ( 1.130 -2.166 1.112) 2.684 95.265 ( 4.731 0.191 -1.168) 4.877 95.684 ( -11.122 4.624 -1.644) 12.157 95.918 ( -3.764 14.730 -0.040) 15.204 97.091 ( -1.437 2.087 2.857) 3.819 97.242 ( -4.489 -8.202 0.377) 9.358 97.513 ( 7.296 -2.843 1.182) 7.919 97.762 ( -5.404 0.630 -1.187) 5.569 98.836 ( 4.912 -12.399 4.105) 13.954 99.126 ( 7.236 -4.421 -4.074) 9.408 ======================= Grid point 65 (39/86) ======================= q-point: ( 0.06 -0.06 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -18.512 -8.791 0.000) 20.494 1.037 ( -11.106 -14.252 0.000) 18.069 1.448 ( -27.390 -1.547 0.000) 27.434 2.026 ( 16.593 0.546 -0.000) 16.602 2.240 ( 1.544 -3.247 -0.000) 3.596 2.374 ( -0.304 4.265 0.000) 4.276 2.416 ( 1.573 5.600 0.000) 5.817 2.522 ( 4.121 0.830 -0.000) 4.203 2.632 ( -0.742 3.334 0.000) 3.416 2.690 ( -4.943 7.220 0.000) 8.750 2.725 ( -3.282 3.456 0.000) 4.766 2.815 ( 0.846 1.310 -0.000) 1.559 2.973 ( 0.703 1.159 -0.000) 1.355 3.014 ( -2.971 -7.381 -0.000) 7.957 3.222 ( 1.881 1.223 -0.000) 2.243 3.263 ( 2.588 -1.338 -0.000) 2.913 3.407 ( -14.195 -12.994 0.000) 19.244 3.457 ( -7.428 -4.964 0.000) 8.934 3.927 ( -9.147 -3.885 0.000) 9.938 3.979 ( -5.994 1.962 0.000) 6.307 4.730 ( 4.286 1.128 -0.000) 4.432 5.223 ( 11.171 3.491 -0.000) 11.704 6.548 ( 4.970 -0.139 -0.000) 4.972 6.548 ( 4.917 -0.027 -0.000) 4.917 6.727 ( 0.113 2.776 0.000) 2.778 6.921 ( 6.750 1.763 -0.000) 6.976 7.272 ( 3.953 0.864 -0.000) 4.046 7.749 ( 16.959 14.363 -0.000) 22.224 9.374 ( -0.837 -0.280 0.000) 0.883 9.798 ( -9.362 2.181 0.000) 9.612 10.883 ( 0.472 2.674 0.000) 2.716 10.988 ( -2.451 -2.669 0.000) 3.623 11.029 ( -0.731 -4.252 -0.000) 4.315 11.074 ( 0.902 2.897 0.000) 3.035 11.210 ( -1.831 -3.454 0.000) 3.909 11.359 ( 1.512 -6.368 -0.000) 6.545 12.434 ( -1.560 0.866 0.000) 1.785 12.497 ( -1.733 -1.346 0.000) 2.194 12.611 ( -4.661 -0.343 0.000) 4.673 12.802 ( -0.824 -1.693 0.000) 1.882 12.862 ( 1.448 1.443 -0.000) 2.044 13.009 ( -1.830 1.037 0.000) 2.104 22.788 ( -3.172 -1.584 0.000) 3.545 23.733 ( 6.484 4.490 -0.000) 7.886 24.101 ( 1.966 -3.976 -0.000) 4.436 24.372 ( -4.434 0.345 0.000) 4.447 24.631 ( 5.176 0.438 -0.000) 5.194 24.714 ( 0.515 1.009 -0.000) 1.132 27.491 ( -5.409 -2.666 0.000) 6.030 28.442 ( -1.971 -2.893 0.000) 3.501 28.728 ( 1.080 -0.270 -0.000) 1.114 28.798 ( -1.829 -1.478 0.000) 2.352 28.980 ( 1.605 6.397 0.000) 6.595 29.297 ( 8.963 -1.947 -0.000) 9.172 29.685 ( -4.859 -1.000 0.000) 4.961 29.972 ( -2.719 -1.614 0.000) 3.162 30.061 ( -0.980 2.341 0.000) 2.538 30.112 ( -0.192 0.172 0.000) 0.258 42.530 ( -1.251 -0.948 0.000) 1.569 42.810 ( 0.750 0.419 -0.000) 0.859 43.107 ( -1.726 -1.577 0.000) 2.338 43.223 ( 1.526 -0.759 -0.000) 1.704 43.302 ( -2.123 0.107 0.000) 2.126 43.342 ( 0.303 0.121 -0.000) 0.326 50.244 ( -0.623 -0.650 0.000) 0.900 50.345 ( 0.475 -0.523 -0.000) 0.706 50.512 ( 0.662 1.168 -0.000) 1.343 50.546 ( 0.683 1.056 -0.000) 1.258 85.457 ( -4.752 -2.593 0.000) 5.414 85.753 ( -0.160 -0.090 0.000) 0.183 85.786 ( -0.616 -3.381 -0.000) 3.436 86.005 ( -12.051 -1.876 0.000) 12.196 86.174 ( 4.640 0.362 -0.000) 4.654 89.402 ( 17.254 18.066 -0.000) 24.982 95.049 ( -2.877 -1.279 0.000) 3.148 95.226 ( -3.124 -0.922 0.000) 3.258 96.262 ( 20.712 10.844 -0.000) 23.379 96.569 ( 13.451 17.058 -0.000) 21.723 96.804 ( -3.399 -2.393 0.000) 4.157 97.139 ( 1.116 -2.533 -0.000) 2.768 97.238 ( -6.029 -3.027 0.000) 6.746 97.579 ( 1.650 -14.553 -0.000) 14.646 98.443 ( -12.829 -4.992 0.000) 13.766 98.945 ( -10.445 -6.474 0.000) 12.288 ======================= Grid point 67 (40/86) ======================= q-point: ( 0.06 0.44 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 5.541 -0.438 9.519) 11.023 1.358 ( 14.031 -8.979 10.763) 19.833 1.664 ( 12.250 -3.715 11.114) 16.952 1.928 ( -9.139 -1.283 -5.893) 10.950 2.281 ( -4.503 -0.880 -0.071) 4.589 2.357 ( 2.696 3.010 -1.116) 4.192 2.407 ( 2.480 -0.608 -4.618) 5.277 2.458 ( -0.405 3.639 -0.883) 3.767 2.538 ( 3.171 8.374 1.171) 9.030 2.580 ( -2.815 -0.441 -0.812) 2.963 2.729 ( 4.209 -0.094 -5.095) 6.609 2.875 ( -1.009 1.894 0.299) 2.167 2.934 ( 3.619 2.675 -1.617) 4.782 3.021 ( 4.356 -7.945 -2.625) 9.433 3.139 ( 2.832 -5.658 0.892) 6.389 3.277 ( 2.528 1.975 -1.592) 3.582 3.334 ( 3.589 -1.694 -0.068) 3.969 3.533 ( 7.607 -1.794 1.734) 8.005 3.861 ( 3.628 -2.711 -3.287) 5.596 3.969 ( 9.054 -3.583 -0.475) 9.748 4.823 ( -2.469 0.668 3.188) 4.087 5.114 ( -10.216 2.750 -4.230) 11.394 6.596 ( -4.459 -0.913 1.338) 4.744 6.618 ( -5.182 -3.157 0.095) 6.069 6.708 ( 1.090 4.234 1.889) 4.763 6.914 ( -7.844 5.424 -1.018) 9.591 7.130 ( -0.473 0.618 -0.923) 1.207 7.547 ( -9.111 5.141 -7.169) 12.682 9.394 ( 1.490 -0.290 -0.384) 1.565 9.635 ( 8.904 -1.214 -2.442) 9.313 10.877 ( -0.748 1.548 2.300) 2.872 11.011 ( 0.619 -0.156 -1.118) 1.287 11.126 ( 1.487 -2.146 0.560) 2.670 11.151 ( -3.249 1.935 2.107) 4.329 11.183 ( 1.185 -0.103 -0.304) 1.228 11.418 ( -3.016 -6.186 2.278) 7.250 12.409 ( 1.382 0.981 -0.247) 1.712 12.537 ( 1.420 0.277 -0.233) 1.466 12.629 ( 2.258 -1.985 2.686) 4.032 12.788 ( 2.640 -0.207 -1.155) 2.889 12.844 ( 0.254 0.037 -0.697) 0.743 12.968 ( 2.348 0.858 -2.589) 3.599 22.927 ( 1.733 -1.133 7.093) 7.389 23.612 ( -4.858 3.552 -6.457) 8.827 24.063 ( -1.148 -4.138 -1.881) 4.688 24.218 ( 5.333 0.471 -5.013) 7.334 24.711 ( -5.088 -0.193 2.568) 5.703 24.758 ( -1.648 1.779 2.404) 3.415 27.774 ( -0.097 -0.331 11.684) 11.689 28.350 ( -0.722 0.983 1.181) 1.698 28.704 ( 1.642 -3.423 -6.250) 7.312 28.791 ( 1.454 -0.462 -0.102) 1.530 28.838 ( 2.871 -2.216 -4.522) 5.797 28.958 ( 2.399 -0.990 -5.374) 5.968 29.908 ( 1.553 0.613 0.108) 1.673 30.000 ( 2.149 -0.853 -0.784) 2.441 30.154 ( -5.698 1.897 5.770) 8.329 30.205 ( -1.329 3.159 2.290) 4.122 42.602 ( -0.042 -0.400 3.519) 3.542 42.821 ( -2.423 1.205 0.178) 2.712 43.083 ( 1.719 -1.179 -1.038) 2.329 43.258 ( -0.144 -1.752 -0.285) 1.781 43.270 ( 1.056 -0.259 -0.697) 1.292 43.328 ( 0.999 0.591 -0.162) 1.172 50.172 ( 1.584 -0.845 -1.213) 2.167 50.341 ( -0.787 -0.334 -4.379) 4.462 50.494 ( -0.052 0.910 4.181) 4.279 50.638 ( -2.084 1.293 1.463) 2.856 85.557 ( 2.397 -0.433 2.363) 3.394 85.694 ( 5.256 -1.348 -3.982) 6.730 85.832 ( -1.167 -2.898 3.807) 4.925 86.018 ( 0.799 1.019 0.529) 1.399 86.511 ( 3.651 -2.687 14.104) 14.815 88.316 ( 7.277 3.587 -36.076) 36.977 95.075 ( 2.839 -1.347 1.350) 3.420 95.200 ( 3.244 -0.761 -1.349) 3.595 96.154 ( -16.670 6.372 -4.398) 18.380 96.378 ( -11.203 14.896 0.040) 18.639 97.119 ( -2.818 -3.453 2.423) 5.073 97.247 ( -2.389 5.336 4.533) 7.398 97.312 ( -0.553 -0.370 3.326) 3.392 97.796 ( -6.495 -6.471 4.710) 10.307 98.346 ( 14.137 -8.988 1.575) 16.826 98.898 ( 12.254 -6.694 -4.223) 14.588 ======================= Grid point 68 (41/86) ======================= q-point: ( 0.06 -0.31 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 3.281 2.128 0.024) 3.911 1.507 ( -0.524 -0.285 -3.107) 3.164 1.681 ( -16.399 -4.703 -2.566) 17.252 2.009 ( 7.135 -8.969 5.294) 12.624 2.141 ( 2.026 0.520 2.418) 3.197 2.292 ( -0.849 -2.173 -2.972) 3.778 2.402 ( -1.204 1.660 0.434) 2.096 2.452 ( 0.360 1.905 -2.671) 3.300 2.605 ( 1.271 0.705 1.776) 2.295 2.729 ( 0.354 6.392 -0.882) 6.463 2.797 ( 0.561 4.408 -0.147) 4.445 2.931 ( 5.508 7.414 -1.384) 9.339 2.992 ( 1.614 -5.130 -1.220) 5.515 3.089 ( -7.382 3.532 2.811) 8.653 3.208 ( 0.181 0.811 -0.738) 1.112 3.343 ( -7.250 9.083 -4.348) 12.408 3.543 ( 1.950 -0.302 8.602) 8.825 3.696 ( 7.138 7.714 2.746) 10.863 3.969 ( 5.836 1.510 -8.778) 10.648 4.147 ( -3.340 0.611 2.006) 3.944 4.641 ( -1.693 -6.143 -1.103) 6.467 4.905 ( 0.920 -8.176 1.220) 8.318 6.452 ( -0.641 0.440 -0.558) 0.957 6.502 ( -1.516 -1.216 0.065) 1.944 6.691 ( -2.050 3.865 3.593) 5.662 6.790 ( 0.197 6.675 -0.875) 6.735 7.114 ( 1.592 -6.257 0.367) 6.467 7.245 ( 3.978 -3.379 -1.298) 5.379 9.405 ( 0.046 2.370 -1.428) 2.768 9.915 ( 2.880 4.203 2.251) 5.570 10.899 ( -2.172 0.855 2.162) 3.182 10.989 ( 1.046 3.067 0.426) 3.268 11.075 ( -0.707 0.470 -0.301) 0.900 11.126 ( -1.638 -4.202 -0.791) 4.579 11.274 ( 2.044 -6.766 -1.463) 7.217 11.320 ( -1.857 -7.394 -0.951) 7.683 12.474 ( 0.499 0.531 0.531) 0.901 12.537 ( 0.434 1.551 -2.101) 2.647 12.720 ( -0.032 -0.415 2.443) 2.479 12.814 ( -1.882 3.205 1.001) 3.849 12.846 ( 0.288 -0.629 -1.086) 1.288 13.030 ( 1.466 5.280 -0.752) 5.531 22.972 ( -3.982 -1.421 -0.354) 4.243 23.501 ( 3.420 2.982 0.471) 4.562 24.027 ( 0.790 -4.553 -0.156) 4.624 24.385 ( 5.691 -0.239 -1.066) 5.795 24.537 ( -4.177 -0.870 1.047) 4.393 24.724 ( -0.919 -0.565 0.216) 1.100 27.771 ( -5.481 -1.659 -0.461) 5.745 28.547 ( 3.873 3.138 8.549) 9.896 28.558 ( -2.222 -6.433 -3.733) 7.763 28.838 ( 0.148 -1.008 -1.639) 1.930 28.866 ( 3.913 2.477 -2.690) 5.355 29.026 ( 2.234 -2.792 1.718) 3.967 29.927 ( -2.303 1.845 -1.801) 3.457 30.007 ( 0.033 0.537 -1.461) 1.557 30.089 ( -1.366 1.616 2.796) 3.507 30.158 ( -0.925 2.990 -1.495) 3.468 42.601 ( -1.504 -0.789 -0.301) 1.725 42.780 ( 0.115 -0.049 0.711) 0.722 43.149 ( 1.969 -0.467 -0.368) 2.057 43.192 ( -2.133 -1.908 0.038) 2.862 43.315 ( 1.219 -0.177 -0.678) 1.406 43.358 ( -0.390 0.605 0.542) 0.901 50.247 ( 0.576 -0.849 0.032) 1.026 50.277 ( 1.643 -0.873 -0.122) 1.865 50.543 ( -1.038 1.341 0.051) 1.697 50.547 ( -1.110 1.313 0.096) 1.722 85.685 ( -3.818 -1.706 -0.320) 4.194 85.726 ( 2.621 1.713 0.696) 3.208 85.839 ( -1.467 -0.767 -3.396) 3.778 85.989 ( 3.209 -1.135 0.259) 3.413 86.593 ( -12.863 -3.517 2.058) 13.493 88.454 ( 20.381 15.889 1.184) 25.870 95.153 ( -0.883 -0.998 -0.018) 1.333 95.391 ( 0.524 1.202 0.005) 1.311 95.639 ( 2.986 4.472 -2.447) 5.908 96.177 ( 0.246 12.732 4.983) 13.675 97.016 ( -2.903 -0.178 -2.102) 3.589 97.153 ( -2.371 4.274 1.171) 5.026 97.438 ( 2.711 -12.782 -0.770) 13.089 97.545 ( -5.618 -10.022 -1.606) 11.601 98.706 ( 0.217 -5.597 2.296) 6.053 99.150 ( 1.647 -2.477 -1.475) 3.321 ======================= Grid point 69 (42/86) ======================= q-point: ( 0.12 -0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -20.172 -0.519 0.000) 20.179 0.883 ( -17.906 0.676 0.000) 17.919 1.418 ( -29.171 -1.429 0.000) 29.206 2.094 ( 13.677 5.226 -0.000) 14.641 2.177 ( 5.340 -2.826 -0.000) 6.041 2.412 ( 5.670 -2.410 -0.000) 6.161 2.455 ( 0.944 3.641 0.000) 3.762 2.550 ( 4.180 0.305 -0.000) 4.191 2.677 ( 0.277 -4.118 -0.000) 4.128 2.726 ( -4.012 -2.193 0.000) 4.572 2.792 ( -7.075 -3.764 0.000) 8.014 2.904 ( -3.430 9.225 0.000) 9.842 2.912 ( -5.326 1.371 0.000) 5.499 3.033 ( -6.206 7.186 0.000) 9.495 3.141 ( -7.452 -10.170 0.000) 12.608 3.242 ( -1.084 -0.522 0.000) 1.203 3.309 ( -1.770 3.078 0.000) 3.551 3.358 ( -1.227 -2.258 0.000) 2.570 3.896 ( -12.630 1.084 0.000) 12.677 3.995 ( -11.374 -0.195 0.000) 11.376 4.755 ( 4.485 0.773 -0.000) 4.551 5.255 ( 14.713 -0.513 -0.000) 14.722 6.546 ( 3.979 0.315 -0.000) 3.991 6.564 ( 5.641 1.956 -0.000) 5.970 6.742 ( -0.429 -1.388 -0.000) 1.453 6.917 ( 9.137 -1.503 -0.000) 9.260 7.274 ( 6.160 -0.647 -0.000) 6.194 7.924 ( 22.316 -0.397 -0.000) 22.319 9.383 ( -2.352 0.968 0.000) 2.544 9.805 ( -11.156 -2.393 0.000) 11.409 10.897 ( 1.695 -1.481 -0.000) 2.251 10.958 ( -2.172 0.034 0.000) 2.172 11.052 ( -4.187 5.809 0.000) 7.160 11.129 ( 0.468 -2.144 -0.000) 2.194 11.140 ( 0.257 1.242 0.000) 1.269 11.242 ( 3.594 -2.388 -0.000) 4.315 12.445 ( -1.575 -0.166 0.000) 1.584 12.488 ( -2.376 0.398 0.000) 2.409 12.593 ( -6.076 -0.713 0.000) 6.118 12.797 ( -1.779 1.082 0.000) 2.082 12.874 ( 2.017 -0.280 -0.000) 2.036 13.017 ( -3.544 -0.093 0.000) 3.546 22.773 ( -3.280 0.071 0.000) 3.281 23.790 ( 7.498 0.180 -0.000) 7.500 24.051 ( 2.259 0.098 -0.000) 2.262 24.372 ( -4.599 -0.462 0.000) 4.622 24.639 ( 5.512 0.373 -0.000) 5.525 24.722 ( 1.290 -0.368 -0.000) 1.342 27.464 ( -5.645 0.052 0.000) 5.645 28.357 ( 0.982 -3.574 -0.000) 3.706 28.734 ( 0.451 0.877 -0.000) 0.986 28.778 ( -1.131 -0.466 0.000) 1.223 29.045 ( 0.231 -1.647 -0.000) 1.663 29.324 ( 9.023 5.050 -0.000) 10.340 29.674 ( -5.678 -0.179 0.000) 5.681 29.945 ( -3.236 -0.695 0.000) 3.310 30.101 ( -2.442 0.993 0.000) 2.636 30.113 ( -0.208 -0.088 0.000) 0.226 42.519 ( -1.196 -0.070 0.000) 1.198 42.813 ( 1.021 -0.159 -0.000) 1.033 43.091 ( -1.677 0.146 0.000) 1.684 43.222 ( 1.172 0.693 -0.000) 1.361 43.299 ( -2.120 -0.432 0.000) 2.164 43.338 ( 0.511 -0.357 -0.000) 0.623 50.238 ( -0.544 0.016 0.000) 0.544 50.340 ( 0.613 0.050 -0.000) 0.615 50.524 ( 0.580 -0.050 -0.000) 0.582 50.558 ( 0.567 0.010 -0.000) 0.567 85.433 ( -4.828 0.178 0.000) 4.831 85.737 ( -0.616 -0.751 0.000) 0.971 85.802 ( -3.020 3.737 0.000) 4.805 85.989 ( -12.042 -0.113 0.000) 12.042 86.179 ( 5.272 0.510 -0.000) 5.297 89.560 ( 18.495 -4.008 -0.000) 18.924 95.036 ( -3.087 -0.013 0.000) 3.087 95.217 ( -3.469 0.010 0.000) 3.469 96.419 ( 22.801 3.233 -0.000) 23.029 96.768 ( -2.728 -1.040 0.000) 2.920 96.775 ( 14.788 -2.440 -0.000) 14.988 97.144 ( -3.128 -4.667 0.000) 5.619 97.182 ( -2.051 4.242 0.000) 4.711 97.360 ( 2.962 2.210 -0.000) 3.696 98.366 ( -13.622 -2.191 0.000) 13.797 98.890 ( -13.322 1.249 0.000) 13.381 ======================= Grid point 70 (43/86) ======================= q-point: ( 0.12 0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 0.000 0.000 23.206) 23.206 0.432 ( 0.000 0.000 23.206) 23.206 0.567 ( 0.000 0.000 30.532) 30.532 2.280 ( -0.000 -0.000 -0.710) 0.710 2.355 ( -0.000 -0.000 -9.003) 9.003 2.355 ( -0.000 -0.000 -9.003) 9.003 2.403 ( -0.000 -0.000 -1.530) 1.530 2.520 ( -0.000 -0.000 -1.774) 1.774 2.603 ( 0.000 0.000 3.707) 3.707 2.603 ( 0.000 0.000 3.707) 3.707 2.694 ( -0.000 -0.000 -1.588) 1.588 2.694 ( -0.000 -0.000 -1.588) 1.588 2.878 ( 0.000 0.000 1.312) 1.312 3.089 ( -0.000 -0.000 -5.467) 5.467 3.089 ( -0.000 -0.000 -5.467) 5.467 3.176 ( -0.000 -0.000 -0.893) 0.893 3.383 ( 0.000 0.000 6.196) 6.196 3.383 ( 0.000 0.000 6.196) 6.196 3.459 ( -0.000 -0.000 -2.719) 2.719 3.548 ( -0.000 -0.000 -2.100) 2.100 4.873 ( 0.000 0.000 2.185) 2.185 5.536 ( -0.000 -0.000 -4.660) 4.660 6.663 ( -0.000 -0.000 -0.415) 0.415 6.663 ( -0.000 -0.000 -0.415) 0.415 6.756 ( 0.000 0.000 1.450) 1.450 6.756 ( 0.000 0.000 1.450) 1.450 7.186 ( 0.000 0.000 4.281) 4.281 7.852 ( -0.000 -0.000 -2.475) 2.475 9.331 ( 0.000 0.000 0.452) 0.452 9.356 ( 0.000 0.000 0.309) 0.309 10.909 ( 0.000 0.000 0.137) 0.137 10.909 ( 0.000 0.000 0.137) 0.137 11.142 ( -0.000 -0.000 -0.116) 0.116 11.142 ( -0.000 -0.000 -0.116) 0.116 11.352 ( 0.000 0.000 1.256) 1.256 11.628 ( -0.000 -0.000 -1.123) 1.123 12.404 ( -0.000 -0.000 -0.239) 0.239 12.404 ( -0.000 -0.000 -0.239) 0.239 12.448 ( 0.000 0.000 2.470) 2.470 12.760 ( -0.000 -0.000 -0.343) 0.343 12.896 ( -0.000 -0.000 -2.434) 2.434 12.896 ( -0.000 -0.000 -2.434) 2.434 22.749 ( 0.000 0.000 4.771) 4.771 24.013 ( -0.000 -0.000 -7.223) 7.223 24.075 ( -0.000 -0.000 -1.433) 1.433 24.075 ( -0.000 -0.000 -1.433) 1.433 24.785 ( 0.000 0.000 2.609) 2.609 24.785 ( 0.000 0.000 2.609) 2.609 27.737 ( 0.000 0.000 7.187) 7.187 28.381 ( -0.000 -0.000 -0.417) 0.417 28.381 ( -0.000 -0.000 -0.417) 0.417 28.756 ( 0.000 0.000 0.882) 0.882 28.756 ( 0.000 0.000 0.882) 0.882 28.993 ( -0.000 -0.000 -4.995) 4.995 29.787 ( 0.000 0.000 0.772) 0.772 29.996 ( -0.000 -0.000 -3.431) 3.431 30.167 ( 0.000 0.000 4.209) 4.209 30.526 ( -0.000 -0.000 -1.601) 1.601 42.525 ( 0.000 0.000 3.167) 3.167 43.046 ( -0.000 -0.000 -0.718) 0.718 43.046 ( -0.000 -0.000 -0.718) 0.718 43.224 ( -0.000 -0.000 -3.002) 3.002 43.253 ( 0.000 0.000 0.617) 0.617 43.253 ( 0.000 0.000 0.617) 0.617 50.179 ( -0.000 -0.000 -3.090) 3.090 50.409 ( 0.000 0.000 5.531) 5.531 50.459 ( -0.000 -0.000 -5.872) 5.872 50.647 ( 0.000 0.000 3.751) 3.751 85.624 ( -0.000 -0.000 -5.212) 5.212 85.624 ( -0.000 -0.000 -5.212) 5.212 85.834 ( 0.000 0.000 5.590) 5.590 85.834 ( 0.000 0.000 5.590) 5.590 86.335 ( 0.000 0.000 4.693) 4.693 87.466 ( -0.000 -0.000 -5.423) 5.423 94.974 ( 0.000 0.000 0.970) 0.970 95.145 ( -0.000 -0.000 -0.684) 0.684 97.062 ( -0.000 -0.000 -1.599) 1.599 97.062 ( -0.000 -0.000 -1.599) 1.599 97.156 ( 0.000 0.000 1.827) 1.827 97.156 ( 0.000 0.000 1.827) 1.827 97.360 ( 0.000 0.000 0.824) 0.824 97.430 ( 0.000 0.000 0.214) 0.214 98.226 ( 0.000 0.000 0.467) 0.467 98.416 ( -0.000 -0.000 -1.182) 1.182 ======================= Grid point 71 (44/86) ======================= q-point: ( 0.12 0.38 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 8.366 5.603 12.944) 16.399 1.206 ( 12.458 -5.111 13.559) 19.109 1.648 ( 16.805 1.766 9.448) 19.360 1.932 ( -8.869 1.482 -3.487) 9.644 2.268 ( -3.720 -0.221 0.910) 3.836 2.344 ( -0.834 -3.832 -2.945) 4.904 2.443 ( -3.803 1.984 -0.630) 4.335 2.479 ( 7.288 1.291 -5.883) 9.455 2.574 ( -2.386 -0.501 -4.254) 4.904 2.643 ( 7.682 -3.563 -6.562) 10.713 2.712 ( 1.166 0.740 1.177) 1.814 2.862 ( 5.476 -2.724 -0.308) 6.124 2.929 ( -1.441 1.160 0.361) 1.885 3.011 ( 2.567 4.773 -2.806) 6.102 3.079 ( 5.710 -0.335 -0.961) 5.800 3.202 ( 3.843 -7.178 1.090) 8.214 3.400 ( 8.608 8.908 1.596) 12.490 3.553 ( 2.614 -1.215 6.509) 7.119 3.749 ( 11.600 -2.509 -5.933) 13.268 3.970 ( 8.268 0.969 -1.967) 8.554 4.822 ( -4.643 -0.805 3.124) 5.653 5.148 ( -12.304 0.345 -4.849) 13.229 6.542 ( -3.961 -2.031 0.087) 4.452 6.596 ( -6.001 0.348 1.131) 6.116 6.761 ( 0.281 0.645 1.668) 1.811 7.010 ( -4.856 3.727 -0.400) 6.135 7.116 ( -2.964 -2.718 -1.575) 4.319 7.610 ( -10.707 0.192 -9.384) 14.239 9.396 ( 2.260 0.369 0.607) 2.369 9.618 ( 11.567 -0.375 -3.977) 12.238 10.906 ( -0.515 0.809 1.910) 2.138 11.005 ( 3.554 -0.517 -0.445) 3.619 11.084 ( -1.893 -2.436 -0.084) 3.087 11.120 ( -0.984 0.531 -0.736) 1.339 11.280 ( -3.895 -4.552 2.581) 6.523 11.322 ( -4.768 6.555 4.056) 9.063 12.428 ( 1.195 0.427 0.242) 1.292 12.552 ( 3.507 1.058 0.832) 3.756 12.596 ( 3.414 -0.697 1.325) 3.728 12.760 ( 1.665 -1.772 -1.547) 2.882 12.850 ( 0.307 0.049 -0.885) 0.938 12.985 ( 4.600 0.633 -2.408) 5.231 22.916 ( 1.674 0.029 7.356) 7.544 23.652 ( -5.345 -0.053 -7.122) 8.905 24.015 ( -1.350 -0.050 -1.385) 1.934 24.227 ( 5.552 0.159 -5.180) 7.595 24.706 ( -5.745 -0.273 2.674) 6.343 24.779 ( -2.489 0.261 2.376) 3.451 27.768 ( -1.278 -0.314 12.388) 12.458 28.414 ( 1.825 4.728 3.337) 6.068 28.592 ( -0.237 -5.220 -9.146) 10.533 28.791 ( 0.906 -0.305 1.078) 1.441 28.821 ( 3.657 0.342 -6.087) 7.109 28.958 ( 3.040 0.841 -4.911) 5.837 29.929 ( 3.338 1.297 0.139) 3.584 29.974 ( 1.802 -1.452 -0.466) 2.361 30.166 ( -5.370 -0.337 4.506) 7.018 30.249 ( -2.674 0.326 3.633) 4.523 42.599 ( -0.208 0.152 3.978) 3.987 42.831 ( -3.307 -0.302 -0.115) 3.322 43.077 ( 1.914 0.499 -0.333) 2.006 43.222 ( -0.603 -1.049 -0.565) 1.335 43.274 ( 1.417 0.429 -1.402) 2.039 43.339 ( 1.424 0.300 0.067) 1.457 50.164 ( 1.533 -0.002 -1.214) 1.956 50.337 ( -1.028 0.008 -4.272) 4.394 50.504 ( 0.148 -0.003 4.081) 4.084 50.652 ( -2.069 -0.009 1.482) 2.545 85.555 ( 2.144 -0.080 3.089) 3.761 85.666 ( 5.747 -0.648 -2.836) 6.441 85.841 ( -2.544 2.786 2.921) 4.771 86.022 ( 4.276 -0.700 0.995) 4.446 86.427 ( -0.168 -3.974 12.543) 13.158 88.386 ( 17.510 2.722 -38.631) 42.501 95.061 ( 2.944 -0.032 1.345) 3.236 95.195 ( 3.874 0.180 -1.309) 4.093 96.235 ( -17.627 1.116 -5.100) 18.384 96.545 ( -16.227 -1.731 4.495) 16.927 97.089 ( 2.466 1.144 -1.343) 3.032 97.181 ( 0.080 -1.847 -1.153) 2.179 97.445 ( -3.425 -1.064 4.680) 5.896 97.667 ( -16.253 1.318 12.543) 20.573 98.272 ( 17.403 1.317 -0.513) 17.461 98.815 ( 14.209 -0.566 -3.997) 14.771 ======================= Grid point 72 (45/86) ======================= q-point: ( 0.12 -0.38 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -4.803 2.670 -2.996) 6.259 1.533 ( -4.791 3.062 3.159) 6.505 1.656 ( -4.256 2.206 -0.962) 4.889 1.831 ( 4.991 -6.126 1.809) 8.106 2.143 ( -3.946 -0.938 1.419) 4.297 2.274 ( 1.515 0.852 -2.385) 2.951 2.425 ( 0.559 0.044 0.386) 0.681 2.465 ( 1.014 0.060 -2.147) 2.376 2.613 ( 0.949 -0.986 0.748) 1.560 2.814 ( 1.716 1.577 1.148) 2.598 2.836 ( 3.014 -0.603 -0.638) 3.139 2.921 ( -1.538 0.338 -1.883) 2.455 3.048 ( 5.378 3.067 0.812) 6.244 3.142 ( -0.257 2.141 0.548) 2.225 3.201 ( 0.309 -2.096 1.660) 2.692 3.432 ( 3.326 -3.190 -0.424) 4.628 3.563 ( -10.976 3.990 2.404) 11.923 3.706 ( -5.962 -7.493 -3.637) 10.243 4.075 ( 7.278 8.475 1.515) 11.274 4.101 ( 5.399 -3.473 0.014) 6.420 4.641 ( -0.908 5.149 -2.301) 5.713 4.759 ( -0.215 -5.370 1.398) 5.553 6.470 ( 0.263 1.162 -0.250) 1.218 6.478 ( -0.109 -0.737 -0.136) 0.758 6.718 ( -3.955 -1.993 3.254) 5.496 6.873 ( -3.025 -1.467 -2.692) 4.307 7.034 ( 1.198 1.454 2.045) 2.781 7.204 ( 7.652 -0.017 -1.927) 7.891 9.457 ( -0.361 2.363 -0.087) 2.392 9.920 ( 4.098 -3.646 0.146) 5.487 10.898 ( -2.387 -1.864 1.690) 3.469 11.032 ( -0.240 -0.951 -0.511) 1.106 11.093 ( 1.788 1.510 -0.144) 2.344 11.111 ( 1.077 1.238 -0.471) 1.707 11.181 ( -2.231 -3.152 -0.525) 3.897 11.239 ( -2.442 4.731 0.008) 5.324 12.483 ( -0.124 0.429 1.169) 1.251 12.570 ( -0.143 1.604 -3.040) 3.440 12.683 ( 0.404 -2.658 2.511) 3.679 12.820 ( 0.789 -1.819 -1.478) 2.472 12.878 ( -1.050 2.142 1.274) 2.705 13.086 ( 1.037 0.132 -0.564) 1.188 22.961 ( -4.034 0.227 -0.237) 4.048 23.532 ( 3.579 -0.097 0.419) 3.605 23.978 ( 0.606 0.043 -0.020) 0.608 24.384 ( 5.561 0.142 -1.001) 5.652 24.526 ( -3.813 -0.168 1.014) 3.949 24.716 ( -1.071 -0.110 0.007) 1.077 27.760 ( -5.796 0.582 0.009) 5.825 28.384 ( -1.173 -7.745 -4.773) 9.173 28.655 ( 2.456 5.570 6.648) 9.014 28.801 ( 0.158 -1.043 -1.115) 1.535 28.920 ( 4.190 -0.726 2.423) 4.894 29.017 ( 2.852 3.241 -1.446) 4.553 29.953 ( -2.622 0.575 -2.411) 3.608 30.000 ( -0.911 -1.284 -1.028) 1.880 30.097 ( 0.109 -0.480 1.970) 2.030 30.208 ( -1.519 1.434 -0.405) 2.128 42.596 ( -1.866 0.291 -0.093) 1.890 42.772 ( 0.441 -0.655 0.241) 0.826 43.156 ( 1.050 0.999 0.356) 1.492 43.168 ( -1.126 -0.127 0.018) 1.133 43.307 ( 1.374 -0.589 -1.125) 1.871 43.364 ( -0.743 -0.042 0.438) 0.863 50.239 ( 0.560 0.048 0.073) 0.566 50.269 ( 1.639 0.055 -0.093) 1.643 50.556 ( -1.074 -0.074 -0.008) 1.077 50.561 ( -1.032 -0.012 0.108) 1.038 85.673 ( -4.148 0.381 -0.569) 4.204 85.731 ( 0.640 -0.473 1.538) 1.732 85.893 ( 4.107 4.280 -1.794) 6.197 85.971 ( -1.156 -0.035 0.054) 1.158 86.525 ( -9.211 -2.878 1.142) 9.717 88.607 ( 19.118 -1.451 0.089) 19.173 95.142 ( -0.732 -0.102 -0.103) 0.746 95.405 ( -0.547 0.107 0.089) 0.564 95.708 ( 4.986 1.767 -2.399) 5.808 96.305 ( -1.271 -1.874 8.823) 9.109 97.061 ( -0.408 -0.415 -10.595) 10.611 97.200 ( 3.279 -3.305 -1.273) 4.826 97.319 ( -5.229 -5.606 2.121) 7.954 97.355 ( -6.393 10.161 2.911) 12.353 98.636 ( 0.296 -1.769 0.975) 2.042 99.137 ( 1.921 1.258 -0.344) 2.322 ======================= Grid point 78 (46/86) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 11.432 9.912 -1.288) 15.186 1.446 ( 7.751 16.403 5.048) 18.832 1.588 ( 15.185 4.732 10.214) 18.902 2.068 ( -5.764 -2.830 -2.793) 7.002 2.157 ( -6.923 -3.013 0.815) 7.594 2.295 ( -0.271 -1.459 0.116) 1.489 2.320 ( -0.311 -2.259 1.313) 2.631 2.495 ( -2.537 0.428 -4.996) 5.619 2.550 ( 0.907 -3.005 -2.234) 3.853 2.602 ( 2.967 -1.471 -0.026) 3.312 2.714 ( -1.060 0.155 1.962) 2.235 2.803 ( -7.117 0.115 2.033) 7.403 2.907 ( 0.064 -1.462 -3.461) 3.757 3.114 ( -3.508 0.008 1.338) 3.755 3.232 ( 2.175 4.406 -0.009) 4.913 3.286 ( -1.440 -2.034 0.151) 2.497 3.444 ( 7.355 2.004 -5.871) 9.623 3.674 ( 11.015 5.854 -0.222) 12.476 3.889 ( -5.593 -0.518 -3.940) 6.861 4.036 ( 3.144 2.757 3.433) 5.410 4.763 ( 0.152 3.034 1.851) 3.557 5.110 ( -2.918 -4.819 -2.123) 6.020 6.534 ( -3.771 -2.087 1.658) 4.618 6.580 ( -4.289 0.177 1.546) 4.563 6.647 ( -0.544 -3.899 -0.247) 3.944 6.818 ( -4.301 -9.790 0.314) 10.697 7.199 ( 0.921 0.624 -4.367) 4.506 7.488 ( -7.772 -7.019 -1.592) 10.593 9.401 ( -0.331 1.649 0.230) 1.697 9.722 ( 2.399 -0.560 -2.891) 3.798 10.830 ( -0.342 -2.102 0.664) 2.230 11.013 ( -2.155 -2.838 0.750) 3.641 11.074 ( 2.922 3.010 -0.069) 4.196 11.173 ( 1.656 7.909 0.524) 8.097 11.261 ( 4.025 1.825 -0.151) 4.422 11.471 ( 2.767 1.757 2.187) 3.940 12.419 ( 0.876 0.395 -0.766) 1.229 12.539 ( 0.306 1.169 -0.041) 1.209 12.616 ( 0.788 -0.209 1.916) 2.082 12.795 ( -1.452 -1.190 -1.857) 2.641 12.858 ( 0.514 1.227 0.355) 1.376 12.972 ( -1.812 -1.984 -0.706) 2.778 22.869 ( 2.827 2.982 3.441) 5.360 23.605 ( -5.090 -5.090 -2.899) 7.760 24.161 ( 1.523 2.126 -0.825) 2.742 24.332 ( 2.876 1.976 -4.705) 5.858 24.636 ( -3.304 -2.129 2.735) 4.788 24.703 ( 0.220 -0.917 0.972) 1.354 27.635 ( 3.789 4.276 6.522) 8.671 28.405 ( 3.823 -4.490 -2.215) 6.299 28.726 ( -2.548 2.336 -1.189) 3.655 28.836 ( 2.334 2.858 -0.096) 3.691 28.910 ( -0.885 -2.111 1.557) 2.768 29.159 ( -0.703 2.509 -12.641) 12.906 29.841 ( -0.916 -0.565 7.657) 7.732 29.987 ( 0.527 -2.770 2.829) 3.995 30.037 ( -1.248 2.308 -1.596) 3.071 30.128 ( -1.188 -1.026 1.769) 2.365 42.572 ( 1.355 1.341 1.707) 2.559 42.795 ( -0.878 -1.139 -0.109) 1.442 43.137 ( 2.018 1.898 -0.808) 2.885 43.253 ( -1.356 1.663 0.507) 2.205 43.297 ( 1.792 -0.292 -0.034) 1.816 43.330 ( -0.024 -0.766 -0.148) 0.781 50.231 ( 1.327 1.367 -2.305) 2.990 50.401 ( -0.422 0.182 3.677) 3.706 50.425 ( -0.352 -0.950 -4.128) 4.250 50.566 ( -1.795 -1.811 2.633) 3.665 85.555 ( 3.989 4.079 1.774) 5.975 85.770 ( -0.141 3.652 -2.517) 4.438 85.858 ( 0.865 0.737 1.923) 2.233 86.038 ( 4.980 1.231 -2.150) 5.562 86.289 ( -0.573 4.798 10.428) 11.493 88.724 ( -14.093 -19.902 -21.704) 32.646 95.093 ( 2.302 2.308 0.780) 3.352 95.249 ( 2.231 2.059 -0.719) 3.120 96.012 ( -15.146 -13.229 -0.687) 20.122 96.157 ( -10.923 -11.554 -6.020) 17.002 96.945 ( 0.204 -0.761 6.847) 6.892 97.256 ( 4.796 0.989 0.969) 4.992 97.278 ( 0.849 5.468 2.203) 5.956 97.813 ( 1.694 2.648 2.699) 4.143 98.561 ( 11.929 8.625 -0.014) 14.721 99.099 ( 6.725 8.697 -1.655) 11.118 ======================= Grid point 79 (47/86) ======================= q-point: ( 0.12 -0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -1.752 4.999 1.019) 5.395 1.628 ( -0.778 4.384 3.978) 5.971 1.901 ( 7.385 8.193 3.991) 11.730 2.044 ( -4.831 5.354 -5.498) 9.068 2.099 ( -7.554 0.282 -1.475) 7.702 2.308 ( 1.055 -6.143 -0.753) 6.278 2.330 ( 4.065 -2.450 0.749) 4.805 2.430 ( 1.949 -3.052 0.154) 3.625 2.565 ( -2.826 -1.338 -2.745) 4.161 2.638 ( 2.642 -4.829 0.609) 5.538 2.705 ( 1.698 -6.510 3.761) 7.708 2.801 ( -7.271 -8.165 2.468) 11.209 2.936 ( 11.218 -4.025 -1.955) 12.077 3.104 ( -1.208 -1.567 -0.541) 2.051 3.150 ( -2.859 -10.948 -2.323) 11.551 3.188 ( 0.303 -0.511 2.200) 2.278 3.439 ( -2.307 0.025 -1.518) 2.762 3.563 ( -0.867 1.674 -0.436) 1.935 4.007 ( 5.799 -6.227 -4.750) 9.745 4.094 ( -5.480 -3.871 7.259) 9.885 4.852 ( 2.116 11.314 1.152) 11.568 5.041 ( -1.117 7.738 -1.847) 8.033 6.455 ( 0.761 -0.467 0.246) 0.926 6.519 ( 0.870 -0.167 0.709) 1.134 6.559 ( -0.584 -3.011 -2.524) 3.972 6.655 ( -1.244 -5.632 -0.467) 5.787 7.239 ( -0.365 5.198 0.561) 5.241 7.318 ( 0.371 2.735 -0.157) 2.764 9.417 ( -0.232 -0.580 2.790) 2.859 9.729 ( 0.236 -7.122 -3.442) 7.913 10.829 ( 0.279 -0.418 -2.416) 2.468 10.953 ( -0.330 -1.231 0.470) 1.358 11.157 ( -0.754 6.497 0.857) 6.597 11.244 ( 1.936 5.591 0.596) 5.946 11.410 ( 0.514 5.686 -0.441) 5.727 11.479 ( -1.878 4.077 2.007) 4.917 12.470 ( -1.119 -0.330 0.903) 1.475 12.523 ( -0.309 -2.764 0.760) 2.884 12.645 ( 2.384 -3.023 -2.042) 4.358 12.739 ( -0.515 -2.126 -1.713) 2.778 12.862 ( 0.049 -1.233 0.749) 1.444 12.922 ( -0.328 -5.509 0.999) 5.609 23.025 ( -0.019 3.066 0.307) 3.081 23.415 ( 0.007 -4.683 -0.178) 4.687 24.149 ( 0.155 6.744 0.041) 6.746 24.410 ( -0.622 0.435 0.355) 0.838 24.545 ( 0.675 1.513 -0.334) 1.691 24.721 ( -0.244 -0.545 -0.155) 0.617 27.848 ( 0.348 4.393 1.175) 4.561 28.300 ( -1.357 -3.797 -6.069) 7.287 28.758 ( 1.778 1.090 3.909) 4.430 28.868 ( -0.749 1.380 -2.697) 3.121 28.913 ( 0.198 4.435 1.518) 4.692 29.049 ( -0.221 0.556 1.914) 2.005 29.911 ( -0.873 -1.894 0.554) 2.158 29.984 ( 0.610 -2.353 -2.891) 3.777 30.018 ( 0.897 -1.466 1.193) 2.093 30.120 ( -0.573 -3.545 1.516) 3.898 42.636 ( -0.177 1.696 0.507) 1.779 42.756 ( 0.234 -0.691 -0.847) 1.118 43.188 ( -1.348 1.705 1.026) 2.403 43.234 ( 1.914 2.083 0.012) 2.829 43.318 ( 0.183 -0.001 -0.842) 0.862 43.331 ( -0.822 -1.220 0.023) 1.472 50.274 ( 0.011 1.767 0.064) 1.769 50.305 ( -0.018 1.690 0.093) 1.693 50.502 ( -0.047 -2.449 -0.127) 2.453 50.510 ( 0.058 -2.211 -0.013) 2.212 85.734 ( 3.397 2.337 0.149) 4.125 85.741 ( -4.492 1.910 1.834) 5.214 85.887 ( 4.068 -0.383 -0.361) 4.102 86.043 ( -5.354 2.527 2.572) 6.455 86.627 ( 5.075 5.145 -2.842) 7.765 87.997 ( -2.772 -24.359 -1.505) 24.562 95.179 ( 0.166 1.707 -0.190) 1.726 95.361 ( -0.843 -1.902 0.190) 2.090 95.583 ( 0.412 -4.733 1.717) 5.052 95.861 ( 0.475 -12.403 -1.433) 12.494 97.028 ( 0.447 4.500 -1.842) 4.883 97.210 ( -0.916 5.556 2.282) 6.076 97.584 ( 1.420 5.054 -1.513) 5.463 97.694 ( -0.631 -1.363 0.901) 1.751 98.849 ( -1.004 11.857 -1.014) 11.943 99.246 ( 0.586 3.329 1.097) 3.554 ======================= Grid point 82 (48/86) ======================= q-point: ( 0.12 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 5.017 18.023 0.000) 18.709 1.323 ( 10.568 11.005 -0.000) 15.258 1.814 ( -4.576 17.460 0.000) 18.050 1.884 ( -4.048 -11.733 -0.000) 12.412 2.008 ( 8.934 -9.220 -0.000) 12.839 2.359 ( 0.879 -0.564 -0.000) 1.044 2.462 ( -0.183 -3.842 -0.000) 3.846 2.469 ( -1.942 0.008 0.000) 1.942 2.577 ( -4.687 -2.570 0.000) 5.345 2.717 ( -6.365 11.386 0.000) 13.044 2.816 ( -4.082 1.793 0.000) 4.459 2.902 ( 0.147 -2.722 -0.000) 2.726 3.107 ( -10.802 9.564 0.000) 14.428 3.152 ( 4.550 3.894 -0.000) 5.988 3.215 ( -3.655 -1.226 0.000) 3.855 3.271 ( -3.664 -4.246 0.000) 5.608 3.355 ( 1.714 -0.630 -0.000) 1.827 3.570 ( 12.519 7.166 -0.000) 14.425 4.044 ( -3.553 -0.737 0.000) 3.629 4.170 ( -3.583 9.576 0.000) 10.224 4.741 ( 5.264 1.068 -0.000) 5.371 4.933 ( 2.059 -13.685 -0.000) 13.840 6.504 ( 0.835 -3.972 -0.000) 4.059 6.518 ( 0.239 0.216 -0.000) 0.322 6.667 ( -3.909 -8.563 0.000) 9.413 6.719 ( -4.176 1.746 0.000) 4.526 7.164 ( 3.100 -2.960 -0.000) 4.286 7.453 ( -3.984 -13.292 -0.000) 13.876 9.462 ( 0.690 2.923 0.000) 3.004 9.818 ( -7.410 0.862 0.000) 7.460 10.815 ( -3.152 -0.883 0.000) 3.273 11.012 ( -1.753 -1.539 0.000) 2.333 11.057 ( 1.581 2.776 -0.000) 3.194 11.203 ( 3.698 -0.201 -0.000) 3.703 11.229 ( 4.993 1.887 -0.000) 5.338 11.324 ( 9.485 2.292 -0.000) 9.758 12.473 ( -0.717 2.300 0.000) 2.409 12.557 ( 1.824 1.508 -0.000) 2.367 12.626 ( -3.050 1.074 0.000) 3.234 12.796 ( -2.511 -2.625 0.000) 3.633 12.885 ( 1.122 2.321 -0.000) 2.578 13.035 ( -3.630 0.772 0.000) 3.711 22.872 ( 1.674 4.791 0.000) 5.075 23.610 ( -3.555 -5.831 0.000) 6.829 24.062 ( 4.798 -2.148 -0.000) 5.257 24.448 ( -0.278 4.432 0.000) 4.440 24.522 ( 0.456 -6.755 -0.000) 6.770 24.700 ( -0.076 0.413 0.000) 0.420 27.628 ( 2.609 7.705 0.000) 8.135 28.280 ( -0.243 -3.127 -0.000) 3.136 28.748 ( 0.413 -0.408 -0.000) 0.581 28.823 ( 3.038 1.852 -0.000) 3.558 28.945 ( -4.308 -2.158 0.000) 4.818 29.268 ( 3.705 -6.690 -0.000) 7.647 29.785 ( -0.803 5.692 0.000) 5.748 29.956 ( -1.627 0.460 0.000) 1.691 30.103 ( -0.826 -0.547 0.000) 0.991 30.163 ( -1.178 2.952 0.000) 3.178 42.563 ( 1.207 2.097 -0.000) 2.420 42.781 ( -0.555 -1.324 -0.000) 1.436 43.148 ( 1.716 1.929 -0.000) 2.582 43.227 ( 1.972 -1.101 -0.000) 2.259 43.309 ( -0.593 -1.478 -0.000) 1.592 43.327 ( -0.917 1.990 0.000) 2.191 50.255 ( 0.869 0.217 -0.000) 0.895 50.325 ( 0.931 -1.849 -0.000) 2.070 50.510 ( -1.482 0.785 0.000) 1.678 50.537 ( -1.312 -0.054 0.000) 1.313 85.578 ( 2.624 6.277 0.000) 6.803 85.759 ( 2.203 -0.639 -0.000) 2.294 85.923 ( -0.951 3.097 0.000) 3.240 86.096 ( 3.546 -4.720 -0.000) 5.904 86.237 ( -0.134 12.352 0.000) 12.352 88.865 ( -19.636 -22.998 0.000) 30.240 95.108 ( 0.898 2.727 0.000) 2.871 95.309 ( 0.093 5.047 0.000) 5.047 95.950 ( -6.141 -17.393 -0.000) 18.445 96.280 ( -16.474 -9.240 0.000) 18.888 96.847 ( 2.381 3.795 -0.000) 4.480 97.154 ( 0.754 2.249 0.000) 2.372 97.325 ( 6.709 2.654 -0.000) 7.215 97.607 ( 14.594 -0.012 -0.000) 14.594 98.566 ( 2.880 6.852 0.000) 7.433 99.165 ( 4.501 5.850 -0.000) 7.381 ======================= Grid point 83 (49/86) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 9.171 10.071 -7.314) 15.460 1.792 ( 0.248 8.684 6.648) 10.939 1.922 ( 2.961 2.942 6.268) 7.530 1.950 ( 7.483 -8.043 -1.057) 11.036 2.006 ( -4.881 5.794 2.966) 8.136 2.250 ( 1.414 -2.432 -3.275) 4.317 2.290 ( -2.704 -1.156 -0.004) 2.941 2.423 ( -1.767 -3.140 -4.115) 5.469 2.531 ( 1.984 -2.410 -0.111) 3.124 2.574 ( -8.225 -3.319 1.686) 9.028 2.633 ( -0.714 -0.528 -1.879) 2.078 2.757 ( -5.791 -6.765 -1.305) 9.000 2.783 ( -0.121 4.256 3.918) 5.786 2.934 ( -5.510 -2.687 5.107) 7.979 3.100 ( -2.404 -7.826 -1.172) 8.270 3.375 ( 0.706 5.205 -1.214) 5.391 3.470 ( -1.220 -6.772 -9.071) 11.385 3.760 ( 5.014 -1.155 -1.083) 5.258 3.823 ( -6.021 -1.244 -1.355) 6.296 3.974 ( -4.595 -1.072 5.635) 7.349 4.990 ( 5.366 8.870 -0.046) 10.367 5.128 ( 4.662 1.181 -0.104) 4.810 6.439 ( -1.260 -0.869 0.962) 1.808 6.500 ( -1.614 -1.897 1.632) 2.978 6.561 ( -1.284 -2.029 -1.441) 2.800 6.600 ( -2.197 -3.815 0.044) 4.403 7.297 ( 2.803 2.911 -1.218) 4.221 7.364 ( -0.400 -0.168 0.378) 0.576 9.419 ( -1.106 2.402 0.018) 2.644 9.642 ( -1.862 -5.907 -0.675) 6.230 10.822 ( 2.280 -0.280 0.536) 2.359 10.939 ( -1.532 -0.895 0.186) 1.784 11.252 ( 5.493 4.908 -1.235) 7.469 11.365 ( 0.850 7.312 -0.350) 7.370 11.393 ( 5.017 1.639 0.604) 5.313 11.529 ( -0.147 0.237 1.060) 1.096 12.453 ( 0.688 0.590 -0.489) 1.029 12.504 ( -1.233 -1.971 -1.145) 2.591 12.592 ( -3.287 0.068 2.261) 3.990 12.693 ( -1.557 -6.602 -0.307) 6.790 12.856 ( -1.791 -1.037 -0.881) 2.250 12.876 ( -1.286 0.098 0.140) 1.298 23.014 ( 4.076 4.389 1.828) 6.263 23.406 ( -4.861 -5.046 -1.790) 7.231 24.251 ( 2.471 2.722 0.428) 3.701 24.434 ( 1.319 1.118 -3.550) 3.949 24.548 ( -0.339 -0.047 3.114) 3.133 24.705 ( 0.123 -0.342 -0.512) 0.628 27.839 ( 5.265 6.554 2.693) 8.828 28.316 ( -0.818 -7.675 -3.056) 8.301 28.743 ( -0.629 2.458 0.826) 2.668 28.837 ( -1.559 -1.467 4.666) 5.133 28.972 ( 3.111 3.857 -0.800) 5.019 29.159 ( -1.431 -0.026 -7.267) 7.406 29.834 ( 0.261 0.279 3.970) 3.989 29.931 ( -0.479 -2.935 1.817) 3.484 30.030 ( -2.206 1.138 -1.749) 3.036 30.073 ( -1.205 -1.704 -0.282) 2.105 42.639 ( 1.627 2.065 0.746) 2.733 42.758 ( -0.581 -1.335 -0.399) 1.509 43.215 ( 1.669 1.635 -1.001) 2.542 43.263 ( -1.173 1.968 0.917) 2.468 43.302 ( 0.439 -1.679 0.011) 1.736 43.321 ( 0.481 -0.332 0.022) 0.585 50.296 ( 1.769 1.847 -1.075) 2.775 50.397 ( -2.854 2.366 0.093) 3.709 50.401 ( 2.299 -2.928 -0.366) 3.741 50.486 ( -2.045 -2.095 1.288) 3.199 85.741 ( 3.439 4.447 -1.425) 5.799 85.827 ( -0.960 3.494 1.761) 4.029 85.843 ( 0.963 -1.694 -0.774) 2.097 86.081 ( -1.088 -0.546 -0.422) 1.288 86.536 ( 9.849 9.840 6.420) 15.331 87.892 ( -20.263 -23.810 -7.843) 32.234 95.182 ( 2.124 2.012 0.669) 3.001 95.321 ( 0.888 0.765 -0.754) 1.393 95.578 ( -7.530 -5.501 0.434) 9.335 95.750 ( -7.372 -8.705 -1.582) 11.516 97.095 ( 7.453 5.185 -0.230) 9.082 97.353 ( -2.394 5.621 1.697) 6.341 97.414 ( 5.939 0.574 1.418) 6.133 97.775 ( -3.742 -4.373 -1.413) 5.927 98.958 ( 9.791 8.282 1.339) 12.894 99.295 ( 1.048 2.623 -0.987) 2.992 ======================= Grid point 84 (50/86) ======================= q-point: ( 0.12 -0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -9.419 9.638 4.116) 14.091 1.885 ( -7.343 -0.188 -3.670) 8.211 1.925 ( 9.883 8.482 1.196) 13.078 2.051 ( -2.981 4.643 -4.894) 7.375 2.084 ( -5.904 -7.547 -6.301) 11.468 2.172 ( 3.996 -0.595 3.964) 5.660 2.290 ( 0.228 -3.783 0.115) 3.792 2.363 ( 2.364 -2.377 2.202) 4.011 2.518 ( 1.388 1.632 0.964) 2.350 2.592 ( 3.635 -3.832 0.915) 5.361 2.607 ( -0.098 -2.445 0.993) 2.641 2.713 ( 5.243 -2.533 1.569) 6.031 2.896 ( -3.638 -0.016 -7.352) 8.203 3.028 ( 4.209 -5.432 -3.082) 7.532 3.094 ( 9.252 -5.752 -1.977) 11.072 3.241 ( 2.298 -4.556 9.319) 10.624 3.422 ( -3.057 5.006 -0.380) 5.878 3.702 ( 1.688 7.194 4.484) 8.644 3.754 ( -4.662 -5.130 5.468) 8.829 4.100 ( 6.585 -5.014 -6.806) 10.716 4.990 ( -7.665 5.737 -0.049) 9.574 5.123 ( -3.000 4.315 0.485) 5.277 6.466 ( 1.595 -2.384 -1.873) 3.426 6.518 ( 2.059 -2.526 1.112) 3.444 6.544 ( 1.748 -1.318 -0.894) 2.365 6.599 ( 3.147 -2.180 0.136) 3.831 7.277 ( -3.664 3.709 0.834) 5.280 7.364 ( 0.018 -0.070 0.348) 0.355 9.420 ( -0.466 0.713 -0.034) 0.853 9.627 ( 3.018 -3.261 0.883) 4.530 10.833 ( -0.781 0.521 -0.519) 1.073 10.946 ( 1.644 -1.371 -0.459) 2.190 11.232 ( -5.134 6.160 0.753) 8.054 11.358 ( -6.395 1.376 0.361) 6.551 11.401 ( -1.580 4.712 -0.103) 4.971 11.551 ( 0.848 0.172 -1.235) 1.507 12.440 ( -0.275 1.732 0.752) 1.908 12.487 ( 1.368 -1.403 0.712) 2.085 12.630 ( -0.043 -4.989 -1.588) 5.235 12.688 ( 5.532 -1.991 0.024) 5.879 12.839 ( 0.858 -0.917 0.793) 1.485 12.877 ( 0.670 -0.671 0.057) 0.950 23.062 ( -3.030 3.044 -3.419) 5.489 23.361 ( 4.054 -4.058 3.019) 6.483 24.256 ( -3.447 3.025 -0.011) 4.586 24.360 ( -2.642 3.331 4.281) 6.033 24.612 ( 1.028 -1.712 -3.641) 4.152 24.698 ( 0.966 -0.526 0.128) 1.108 27.905 ( -4.180 3.850 -4.303) 7.128 28.257 ( 3.953 -3.028 3.028) 5.828 28.750 ( -2.070 1.251 0.558) 2.482 28.894 ( 1.037 -0.932 1.925) 2.377 28.969 ( -2.742 2.808 -1.987) 4.399 29.050 ( -0.948 0.988 1.836) 2.290 29.889 ( 0.935 -0.036 -1.538) 1.800 29.963 ( 1.815 -2.623 -0.574) 3.241 29.995 ( 0.053 -0.804 1.478) 1.683 30.078 ( 2.445 -1.812 -1.312) 3.314 42.657 ( -1.223 1.385 -1.175) 2.190 42.748 ( 0.772 -0.973 0.590) 1.375 43.200 ( -1.344 2.201 0.586) 2.645 43.276 ( -1.794 -1.339 -0.521) 2.298 43.305 ( 1.672 0.791 -0.263) 1.868 43.317 ( -0.201 0.063 0.477) 0.521 50.279 ( -2.311 2.308 0.578) 3.317 50.358 ( -0.434 0.445 2.236) 2.321 50.436 ( 0.937 -0.938 -2.089) 2.474 50.505 ( 2.599 -2.608 -0.696) 3.747 85.715 ( -3.263 3.328 1.337) 4.849 85.818 ( 0.002 2.893 1.169) 3.120 85.872 ( -2.543 -2.695 -2.403) 4.417 86.075 ( 2.291 2.036 0.181) 3.070 86.693 ( -8.792 4.021 -10.356) 14.167 87.695 ( 17.799 -15.025 13.014) 26.682 95.199 ( -1.975 1.736 -1.107) 2.853 95.302 ( -0.541 1.161 1.267) 1.802 95.589 ( 6.014 -6.156 -0.709) 8.635 95.714 ( 6.677 -7.026 2.155) 9.929 97.092 ( -5.100 4.680 -0.043) 6.922 97.392 ( 0.521 4.178 -2.309) 4.802 97.451 ( -5.191 0.441 -2.407) 5.739 97.738 ( 4.876 -4.666 2.451) 7.180 98.995 ( -7.914 8.908 -2.691) 12.216 99.264 ( -2.848 2.154 2.451) 4.331 ======================= Grid point 86 (51/86) ======================= q-point: ( 0.12 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 1.238 -7.654 -0.000) 7.754 1.709 ( 9.859 6.784 -0.000) 11.968 1.854 ( 4.709 10.402 -0.000) 11.419 2.008 ( -0.071 5.700 0.000) 5.701 2.091 ( 6.154 3.554 -0.000) 7.107 2.291 ( -4.351 -6.571 0.000) 7.881 2.399 ( -3.475 -2.948 0.000) 4.557 2.410 ( 1.439 -2.618 -0.000) 2.988 2.442 ( -5.384 2.111 0.000) 5.783 2.650 ( -7.254 -5.783 0.000) 9.276 2.815 ( -10.251 2.260 0.000) 10.497 2.884 ( 0.449 0.153 -0.000) 0.474 2.916 ( -10.409 2.109 0.000) 10.621 2.984 ( -3.424 -8.568 -0.000) 9.227 3.084 ( -11.823 10.941 0.000) 16.109 3.302 ( 5.715 -1.163 -0.000) 5.832 3.415 ( 5.889 -1.284 -0.000) 6.028 3.702 ( -1.426 -3.402 -0.000) 3.689 3.753 ( -8.972 -10.368 0.000) 13.711 4.257 ( -5.763 7.568 0.000) 9.513 4.906 ( 10.763 -4.372 -0.000) 11.617 4.967 ( 8.952 2.270 -0.000) 9.236 6.451 ( -0.320 -0.806 -0.000) 0.867 6.507 ( -4.279 3.559 0.000) 5.565 6.553 ( 0.707 0.716 -0.000) 1.006 6.632 ( -4.585 -0.001 0.000) 4.585 7.280 ( 3.148 -5.581 -0.000) 6.408 7.282 ( 4.676 2.483 -0.000) 5.294 9.518 ( -0.498 3.062 0.000) 3.102 9.614 ( -6.524 -5.087 0.000) 8.273 10.781 ( 0.090 0.987 0.000) 0.991 10.958 ( -1.007 0.577 0.000) 1.160 11.184 ( 6.405 -0.805 -0.000) 6.455 11.273 ( 3.856 -0.245 -0.000) 3.863 11.377 ( 6.693 -1.215 -0.000) 6.803 11.524 ( 3.520 3.654 -0.000) 5.074 12.519 ( -0.090 2.525 0.000) 2.527 12.544 ( -4.718 0.519 0.000) 4.746 12.552 ( -1.096 -4.817 -0.000) 4.940 12.714 ( -2.545 1.431 0.000) 2.919 12.899 ( -1.068 -0.234 0.000) 1.094 12.922 ( -5.526 -0.968 0.000) 5.610 23.030 ( 3.152 5.863 -0.000) 6.657 23.418 ( -4.821 -5.051 0.000) 6.983 24.141 ( 6.309 -1.392 -0.000) 6.460 24.389 ( 0.384 -7.113 -0.000) 7.123 24.564 ( 1.611 5.606 0.000) 5.833 24.727 ( -0.109 1.307 0.000) 1.312 27.873 ( 4.717 9.190 -0.000) 10.330 28.193 ( -0.678 -5.277 -0.000) 5.320 28.742 ( 0.632 -0.858 -0.000) 1.066 28.813 ( -3.149 -3.036 0.000) 4.374 28.962 ( 5.260 2.644 -0.000) 5.887 29.188 ( 1.227 -6.225 -0.000) 6.345 29.863 ( -2.031 5.008 0.000) 5.404 29.920 ( -2.364 0.398 0.000) 2.397 30.053 ( -1.540 -1.802 0.000) 2.370 30.162 ( -3.372 1.941 0.000) 3.891 42.646 ( 1.796 2.810 -0.000) 3.334 42.740 ( -0.658 -1.554 -0.000) 1.688 43.228 ( 2.449 1.507 -0.000) 2.876 43.250 ( 1.969 -0.661 -0.000) 2.077 43.256 ( -0.600 -2.370 -0.000) 2.445 43.337 ( -1.264 1.016 0.000) 1.622 50.277 ( 1.733 -0.749 -0.000) 1.888 50.306 ( 1.737 -2.580 -0.000) 3.111 50.499 ( -2.463 2.079 0.000) 3.223 50.511 ( -2.245 1.173 0.000) 2.533 85.731 ( 2.678 -1.607 -0.000) 3.124 85.796 ( 2.297 3.547 -0.000) 4.226 85.866 ( -1.972 -2.663 0.000) 3.314 86.134 ( 0.948 0.323 -0.000) 1.002 86.533 ( 6.540 13.294 -0.000) 14.816 87.970 ( -23.393 -19.971 0.000) 30.758 95.173 ( 1.679 1.164 -0.000) 2.043 95.367 ( -1.887 -0.423 0.000) 1.934 95.610 ( -4.540 -1.847 0.000) 4.902 95.848 ( -13.577 -2.885 0.000) 13.880 96.997 ( 4.909 2.461 -0.000) 5.492 97.274 ( 6.069 3.327 -0.000) 6.922 97.524 ( 5.723 3.171 -0.000) 6.543 97.713 ( -2.122 -2.977 0.000) 3.656 98.836 ( 12.366 4.219 -0.000) 13.065 99.261 ( 2.784 -3.808 -0.000) 4.717 ======================= Grid point 87 (52/86) ======================= q-point: ( 0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 4.474 -8.515 -0.405) 9.628 1.773 ( -4.474 8.515 -0.405) 9.628 1.978 ( -2.385 -2.017 1.258) 3.367 1.978 ( 2.385 2.017 1.258) 3.367 2.101 ( 1.009 -9.872 2.739) 10.294 2.101 ( -1.009 9.872 2.739) 10.294 2.289 ( -2.311 -3.060 -5.151) 6.422 2.289 ( 2.311 3.060 -5.151) 6.422 2.486 ( 1.150 -3.917 3.627) 5.461 2.486 ( -1.150 3.917 3.627) 5.461 2.607 ( -3.137 -3.005 -4.522) 6.271 2.607 ( 3.137 3.005 -4.522) 6.271 2.837 ( -0.170 -0.637 6.329) 6.363 2.837 ( 0.170 0.637 6.329) 6.363 3.170 ( -8.690 -5.574 -5.994) 11.937 3.170 ( 8.690 5.574 -5.994) 11.937 3.591 ( -6.535 -4.582 3.371) 8.664 3.591 ( 6.535 4.582 3.371) 8.664 3.875 ( 0.684 -2.479 -1.252) 2.860 3.875 ( -0.684 2.479 -1.252) 2.860 5.177 ( -0.106 -2.893 0.115) 2.897 5.177 ( 0.106 2.893 0.115) 2.897 6.447 ( -1.205 -0.718 0.332) 1.441 6.447 ( 1.205 0.718 0.332) 1.441 6.540 ( -1.188 -0.040 -0.259) 1.216 6.540 ( 1.188 0.040 -0.259) 1.216 7.363 ( -0.004 -0.803 -0.011) 0.803 7.363 ( 0.004 0.803 -0.011) 0.803 9.489 ( -0.600 -5.340 -0.008) 5.373 9.489 ( 0.600 5.340 -0.008) 5.373 10.886 ( -2.515 -0.698 0.055) 2.610 10.886 ( 2.515 0.698 0.055) 2.610 11.447 ( -2.991 -3.927 -0.043) 4.936 11.447 ( 2.991 3.927 -0.043) 4.936 11.468 ( 3.383 -4.146 -0.102) 5.352 11.468 ( -3.383 4.146 -0.102) 5.352 12.463 ( -1.632 -2.204 0.242) 2.753 12.463 ( 1.632 2.204 0.242) 2.753 12.556 ( -2.277 -1.485 0.067) 2.720 12.556 ( 2.277 1.485 0.067) 2.720 12.853 ( -0.647 -0.467 -0.213) 0.826 12.853 ( 0.647 0.467 -0.213) 0.826 23.203 ( -4.540 -5.389 -0.119) 7.048 23.203 ( 4.540 5.389 -0.119) 7.048 24.363 ( -2.860 -2.818 1.086) 4.159 24.363 ( 2.860 2.818 1.086) 4.159 24.650 ( -2.675 -2.859 -1.076) 4.060 24.650 ( 2.675 2.859 -1.076) 4.060 28.092 ( -4.386 -8.183 -0.366) 9.292 28.092 ( 4.386 8.183 -0.366) 9.292 28.785 ( -0.175 -2.014 3.051) 3.660 28.785 ( 0.175 2.014 3.051) 3.660 29.096 ( -2.002 -2.853 -3.502) 4.941 29.096 ( 2.002 2.853 -3.502) 4.941 29.865 ( -0.771 -1.821 2.340) 3.064 29.865 ( 0.771 1.821 2.340) 3.064 30.028 ( 1.082 -2.168 -1.428) 2.812 30.028 ( -1.082 2.168 -1.428) 2.812 42.709 ( -0.999 -2.020 -0.008) 2.253 42.709 ( 0.999 2.020 -0.008) 2.253 43.259 ( 0.247 -1.576 -0.285) 1.621 43.259 ( -0.247 1.576 -0.285) 1.621 43.307 ( -0.619 -0.882 0.316) 1.123 43.307 ( 0.619 0.882 0.316) 1.123 50.365 ( -1.318 -1.357 -0.010) 1.892 50.365 ( 1.318 1.357 -0.010) 1.892 50.415 ( -1.071 -1.001 -0.001) 1.466 50.415 ( 1.071 1.001 -0.001) 1.466 85.801 ( 0.676 -1.822 -0.084) 1.945 85.801 ( -0.676 1.822 -0.084) 1.945 85.985 ( -4.811 -2.527 0.135) 5.436 85.985 ( 4.811 2.527 0.135) 5.436 87.079 ( -16.365 -17.744 -0.076) 24.138 87.079 ( 16.365 17.744 -0.076) 24.138 95.268 ( -2.390 -2.304 0.065) 3.320 95.268 ( 2.390 2.304 0.065) 3.320 95.530 ( -2.104 -3.627 -0.064) 4.194 95.530 ( 2.104 3.627 -0.064) 4.194 97.335 ( -3.219 -2.318 0.728) 4.033 97.335 ( 3.219 2.318 0.728) 4.033 97.560 ( -5.311 -4.547 -0.897) 7.049 97.560 ( 5.311 4.547 -0.897) 7.049 99.241 ( -4.360 -4.452 0.142) 6.233 99.241 ( 4.360 4.452 0.142) 6.233 ======================= Grid point 92 (53/86) ======================= q-point: ( 0.12 0.88 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 7.271 -9.110 -0.000) 11.656 1.888 ( 2.065 -1.231 -0.000) 2.404 1.911 ( -8.014 -13.241 0.000) 15.477 2.095 ( -0.316 7.036 0.000) 7.043 2.194 ( 0.766 4.264 0.000) 4.332 2.210 ( -3.058 4.029 0.000) 5.058 2.329 ( 5.000 0.954 -0.000) 5.090 2.340 ( 0.860 -3.460 -0.000) 3.565 2.424 ( -4.508 8.044 0.000) 9.221 2.567 ( 0.356 3.587 0.000) 3.604 2.576 ( 2.805 -4.494 -0.000) 5.298 2.753 ( -5.879 -1.538 0.000) 6.077 2.930 ( -10.846 9.070 0.000) 14.138 3.011 ( -5.097 5.144 0.000) 7.242 3.175 ( 5.603 10.621 -0.000) 12.008 3.311 ( -6.675 -2.101 0.000) 6.998 3.401 ( 5.872 -3.235 -0.000) 6.704 3.510 ( -3.918 -7.733 0.000) 8.669 3.620 ( 9.164 -1.798 -0.000) 9.339 4.238 ( -8.288 4.819 0.000) 9.587 4.992 ( 5.592 -6.594 -0.000) 8.646 5.107 ( 5.835 -3.345 -0.000) 6.726 6.471 ( -1.323 3.026 0.000) 3.303 6.529 ( -3.828 4.444 0.000) 5.865 6.559 ( -2.066 0.315 0.000) 2.089 6.600 ( -1.269 3.555 0.000) 3.774 7.265 ( 4.163 -4.350 -0.000) 6.021 7.349 ( 0.640 -1.067 -0.000) 1.244 9.420 ( -2.731 -3.739 0.000) 4.630 9.608 ( 1.357 5.793 0.000) 5.950 10.843 ( 2.287 1.996 -0.000) 3.035 10.955 ( -2.656 1.310 0.000) 2.961 11.226 ( 5.407 -7.018 -0.000) 8.860 11.363 ( 5.588 -1.152 -0.000) 5.706 11.386 ( 0.818 -5.457 -0.000) 5.518 11.575 ( -1.929 -0.920 0.000) 2.137 12.426 ( -0.589 -2.211 -0.000) 2.288 12.470 ( -0.837 0.693 0.000) 1.086 12.646 ( 1.191 7.753 0.000) 7.844 12.694 ( -5.265 3.166 0.000) 6.144 12.841 ( -0.621 -0.651 0.000) 0.899 12.865 ( -1.007 -0.743 0.000) 1.252 23.212 ( -5.748 -4.602 0.000) 7.363 23.226 ( 4.248 5.892 -0.000) 7.264 24.253 ( 6.735 -0.732 -0.000) 6.774 24.257 ( 0.667 -6.970 -0.000) 7.002 24.699 ( -3.614 -0.846 0.000) 3.712 24.699 ( 1.136 3.747 0.000) 3.915 28.032 ( -4.080 -5.613 0.000) 6.939 28.183 ( 6.139 10.438 -0.000) 12.110 28.713 ( -0.623 -2.757 -0.000) 2.827 28.738 ( 1.021 -1.763 -0.000) 2.037 29.069 ( -0.175 -6.484 -0.000) 6.486 29.097 ( 4.264 0.186 -0.000) 4.268 29.888 ( -2.930 1.795 0.000) 3.436 29.915 ( -1.004 3.558 0.000) 3.697 30.000 ( -1.170 0.218 0.000) 1.190 30.131 ( -2.822 1.665 0.000) 3.277 42.688 ( -1.123 -1.809 0.000) 2.130 42.732 ( 1.098 2.406 -0.000) 2.645 43.194 ( 0.802 -3.195 -0.000) 3.294 43.278 ( 1.513 -0.029 -0.000) 1.513 43.305 ( 1.529 1.601 -0.000) 2.214 43.309 ( -1.915 -0.714 0.000) 2.044 50.291 ( 1.737 -2.462 -0.000) 3.013 50.291 ( 2.281 -1.806 -0.000) 2.910 50.497 ( -2.328 2.596 0.000) 3.486 50.499 ( -2.488 2.447 0.000) 3.489 85.687 ( 1.981 -4.046 -0.000) 4.505 85.795 ( 0.277 -2.560 -0.000) 2.575 85.929 ( 2.914 2.357 -0.000) 3.748 86.071 ( -4.542 -3.199 0.000) 5.555 87.119 ( 18.381 20.311 -0.000) 27.393 87.203 ( -21.058 -10.646 0.000) 23.596 95.239 ( 3.677 0.829 -0.000) 3.770 95.258 ( -1.464 -3.517 -0.000) 3.809 95.611 ( -9.054 1.314 0.000) 9.149 95.661 ( -1.973 9.845 0.000) 10.040 97.099 ( 3.970 -1.200 -0.000) 4.148 97.444 ( -5.918 -10.141 0.000) 11.741 97.515 ( 8.677 3.629 -0.000) 9.405 97.673 ( -4.015 6.016 0.000) 7.233 99.124 ( 9.962 -0.317 -0.000) 9.968 99.136 ( 0.255 -10.782 -0.000) 10.785 ======================= Grid point 96 (54/86) ======================= q-point: ( 0.12 0.62 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -9.301 -5.315 4.656) 11.681 1.558 ( 10.204 -4.525 1.214) 11.228 1.803 ( 8.902 8.303 5.457) 13.341 2.016 ( 2.427 5.138 0.834) 5.743 2.214 ( 3.339 3.009 2.279) 5.039 2.298 ( -5.551 -6.715 -0.017) 8.713 2.329 ( 0.321 4.794 -2.736) 5.529 2.408 ( -3.755 -3.207 -3.154) 5.860 2.553 ( -0.263 -1.173 -3.623) 3.817 2.601 ( -4.539 -11.351 -4.506) 13.029 2.807 ( -1.581 -4.871 5.876) 7.795 2.876 ( -2.660 1.121 1.939) 3.477 2.997 ( -7.674 -4.042 -0.998) 8.731 3.063 ( 2.862 -0.436 -1.470) 3.247 3.150 ( 6.350 -5.535 -2.188) 8.703 3.261 ( -2.145 -4.289 1.631) 5.065 3.612 ( -7.727 -3.346 6.585) 10.689 3.658 ( -7.279 6.195 -5.423) 10.990 3.837 ( -3.581 -9.451 -3.900) 10.833 4.126 ( 11.458 -7.325 1.051) 13.640 4.775 ( 1.919 4.167 2.646) 5.296 4.878 ( 3.600 6.638 -3.283) 8.234 6.476 ( 0.218 2.134 0.159) 2.151 6.537 ( 2.370 4.081 0.452) 4.741 6.725 ( -5.830 3.320 2.668) 7.220 6.853 ( -8.695 7.421 -1.421) 11.519 7.065 ( 5.579 -3.786 -0.735) 6.783 7.297 ( 2.739 6.850 -2.980) 7.957 9.482 ( 0.681 -1.267 2.936) 3.269 9.687 ( -4.295 -7.008 -4.854) 9.545 10.865 ( -3.669 1.962 -0.015) 4.161 11.007 ( -0.899 1.814 -0.178) 2.032 11.078 ( 0.185 -2.156 0.146) 2.169 11.156 ( 4.183 -0.189 2.494) 4.874 11.237 ( 4.154 -0.633 -1.266) 4.389 11.456 ( 7.245 2.582 1.620) 7.860 12.471 ( -0.577 -2.245 1.284) 2.650 12.590 ( -1.592 0.350 -1.600) 2.284 12.622 ( -0.220 -0.332 -0.294) 0.495 12.751 ( -1.540 -1.464 -0.157) 2.131 12.881 ( -0.066 -1.617 1.062) 1.936 13.008 ( -3.153 -2.390 -1.376) 4.189 23.051 ( 1.542 2.639 4.511) 5.449 23.452 ( -3.050 -0.764 -3.878) 4.993 24.022 ( 4.118 0.191 -0.706) 4.182 24.264 ( 0.041 -6.290 -2.776) 6.875 24.632 ( 0.794 5.586 1.682) 5.887 24.756 ( -0.127 2.193 0.842) 2.352 27.901 ( 1.939 4.708 6.768) 8.469 28.282 ( -4.850 1.762 -7.393) 9.015 28.695 ( 3.651 -4.042 2.267) 5.900 28.780 ( -0.169 -2.463 -1.521) 2.900 28.849 ( 2.558 -1.191 1.554) 3.222 29.008 ( 3.013 -4.437 -2.047) 5.741 29.965 ( -0.691 -0.127 0.030) 0.703 29.994 ( -1.520 -0.896 -0.948) 2.003 30.085 ( -2.386 3.794 1.424) 4.703 30.235 ( -1.867 1.484 1.380) 2.756 42.653 ( 0.946 1.770 2.280) 3.037 42.754 ( -0.980 0.793 -1.218) 1.753 43.153 ( 1.510 -2.313 1.161) 2.997 43.203 ( 1.303 0.485 -0.408) 1.449 43.270 ( 0.143 -0.665 -1.772) 1.898 43.363 ( -0.612 -0.423 0.299) 0.802 50.208 ( 0.897 -2.338 0.545) 2.563 50.270 ( 0.751 -0.211 -2.460) 2.581 50.546 ( -1.235 0.743 2.246) 2.669 50.598 ( -1.350 2.671 -0.276) 3.005 85.650 ( -0.239 -3.382 1.168) 3.586 85.780 ( 0.787 -6.425 -0.263) 6.479 85.835 ( 1.948 5.159 1.218) 5.647 86.086 ( 2.860 0.395 -0.350) 2.908 86.593 ( 0.760 3.619 8.761) 9.510 88.104 ( -11.562 -14.737 -16.327) 24.848 95.141 ( 0.959 -1.425 0.599) 1.819 95.295 ( -0.074 -7.211 -0.619) 7.237 95.813 ( -2.918 12.773 -2.247) 13.293 96.178 ( -16.119 5.892 2.336) 17.321 97.060 ( -0.422 5.230 -0.087) 5.248 97.263 ( 0.568 3.058 3.113) 4.401 97.321 ( 6.135 -1.761 -0.992) 6.459 97.726 ( 6.693 5.290 0.960) 8.585 98.622 ( 8.035 -4.459 1.751) 9.355 99.052 ( 3.524 -10.834 -2.025) 11.571 ======================= Grid point 97 (55/86) ======================= q-point: ( 0.12 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 10.418 -4.530 -0.000) 11.360 1.556 ( -3.234 -8.669 -0.000) 9.253 1.735 ( -14.316 -4.298 0.000) 14.947 2.159 ( -5.487 3.123 0.000) 6.313 2.163 ( 7.210 -3.331 -0.000) 7.942 2.327 ( 0.040 2.981 0.000) 2.982 2.364 ( -0.846 1.749 0.000) 1.943 2.408 ( 1.723 -3.523 -0.000) 3.922 2.546 ( -0.102 8.203 0.000) 8.204 2.616 ( -0.483 -0.240 0.000) 0.539 2.684 ( 2.759 5.573 -0.000) 6.219 2.758 ( 3.246 8.548 0.000) 9.144 2.967 ( -2.002 9.724 0.000) 9.928 2.968 ( -8.700 6.514 0.000) 10.869 3.219 ( -4.207 2.333 0.000) 4.811 3.254 ( -1.706 -7.748 -0.000) 7.933 3.579 ( 9.711 4.976 -0.000) 10.912 3.617 ( 10.592 7.775 -0.000) 13.139 3.780 ( 7.310 -0.270 -0.000) 7.315 4.127 ( -10.249 3.570 0.000) 10.853 4.835 ( -1.462 -11.607 -0.000) 11.699 5.071 ( 1.500 -6.906 -0.000) 7.067 6.443 ( -1.693 0.037 0.000) 1.693 6.514 ( -2.310 0.509 0.000) 2.366 6.638 ( -1.862 4.676 0.000) 5.032 6.644 ( 2.666 5.747 -0.000) 6.335 7.236 ( 2.117 -5.243 -0.000) 5.654 7.306 ( 1.368 -3.348 -0.000) 3.617 9.363 ( 0.245 -0.021 -0.000) 0.246 9.799 ( 1.976 8.505 0.000) 8.731 10.902 ( -3.815 1.028 0.000) 3.952 10.932 ( 1.872 2.650 -0.000) 3.245 11.144 ( 2.151 -7.643 -0.000) 7.940 11.233 ( -2.778 -6.235 -0.000) 6.826 11.397 ( 4.159 -5.834 -0.000) 7.165 11.439 ( -4.250 -4.954 0.000) 6.527 12.455 ( 1.408 1.431 -0.000) 2.007 12.505 ( 1.758 0.325 -0.000) 1.788 12.669 ( -4.377 5.348 0.000) 6.910 12.830 ( -1.223 1.433 0.000) 1.884 12.833 ( 0.755 -1.092 -0.000) 1.327 12.874 ( 2.874 7.501 0.000) 8.033 23.016 ( -5.532 -3.246 0.000) 6.414 23.426 ( 4.746 4.777 -0.000) 6.733 24.139 ( 1.212 -6.405 -0.000) 6.519 24.380 ( 6.855 -0.339 -0.000) 6.864 24.572 ( -5.393 -1.499 0.000) 5.598 24.735 ( -1.019 0.146 0.000) 1.029 27.822 ( -6.518 -4.124 0.000) 7.713 28.518 ( 3.731 10.405 0.000) 11.054 28.682 ( 1.216 -1.042 -0.000) 1.601 28.687 ( 1.967 -4.526 -0.000) 4.935 28.934 ( -1.043 -5.216 -0.000) 5.319 29.134 ( 3.669 -3.519 -0.000) 5.084 29.863 ( -4.087 2.207 0.000) 4.645 29.978 ( 2.139 1.116 -0.000) 2.413 30.025 ( -2.006 4.845 0.000) 5.244 30.119 ( -1.180 1.014 0.000) 1.556 42.623 ( -1.699 -1.687 0.000) 2.394 42.779 ( 0.286 0.970 0.000) 1.011 43.170 ( 2.011 -2.009 -0.000) 2.842 43.235 ( -2.378 -2.058 0.000) 3.145 43.309 ( 1.166 0.231 -0.000) 1.188 43.347 ( -0.084 0.996 0.000) 0.999 50.274 ( 0.772 -1.764 -0.000) 1.926 50.302 ( 2.438 -1.711 -0.000) 2.979 50.504 ( -2.017 2.428 0.000) 3.157 50.511 ( -1.124 2.266 0.000) 2.529 85.692 ( 2.861 -0.367 -0.000) 2.885 85.740 ( -2.111 -3.351 0.000) 3.960 85.881 ( -3.542 -4.260 0.000) 5.540 86.007 ( 3.174 -0.257 -0.000) 3.185 86.678 ( -18.031 -3.626 0.000) 18.392 88.039 ( 24.896 24.960 -0.000) 35.254 95.181 ( -1.562 -1.737 0.000) 2.336 95.359 ( 1.963 1.951 -0.000) 2.767 95.536 ( 0.832 3.234 0.000) 3.340 95.907 ( 2.307 14.734 0.000) 14.913 97.118 ( -6.831 -7.767 0.000) 10.343 97.125 ( 1.914 -1.675 -0.000) 2.543 97.609 ( -8.306 -0.160 0.000) 8.307 97.663 ( 6.407 -6.214 -0.000) 8.926 98.891 ( -2.585 -9.793 -0.000) 10.129 99.205 ( 3.208 -4.227 -0.000) 5.307 ======================= Grid point 100 (56/86) ======================= q-point: ( 0.12 0.62 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -2.512 -1.632 4.310) 5.249 1.644 ( 9.768 -5.966 4.480) 12.292 1.898 ( -8.260 -7.322 -4.246) 11.826 2.009 ( 3.485 -7.254 9.572) 12.506 2.259 ( 1.619 2.056 -1.036) 2.814 2.269 ( 6.533 7.243 0.041) 9.754 2.287 ( -0.391 0.760 -1.785) 1.979 2.382 ( 0.216 3.683 0.138) 3.692 2.509 ( -9.094 -4.010 0.330) 9.945 2.575 ( 2.318 1.230 -1.505) 3.025 2.612 ( 2.166 2.580 -4.445) 5.577 2.840 ( -3.542 1.361 1.011) 3.926 2.955 ( 2.886 -0.682 3.183) 4.351 3.110 ( 4.984 -3.651 -0.870) 6.239 3.214 ( 3.609 -0.718 -1.605) 4.014 3.234 ( 4.757 -1.202 -2.984) 5.743 3.333 ( -0.919 -5.558 1.555) 5.844 3.611 ( -3.661 -3.555 -1.963) 5.467 3.702 ( -5.075 7.900 -4.447) 10.390 4.162 ( 8.337 -8.921 2.242) 12.414 4.865 ( 0.424 1.061 3.248) 3.443 4.992 ( -1.405 1.565 -3.613) 4.181 6.591 ( 1.551 5.094 0.760) 5.379 6.643 ( -5.896 1.856 0.900) 6.246 6.660 ( -2.630 2.401 0.913) 3.676 6.783 ( -5.665 3.828 -1.530) 7.006 7.124 ( 1.437 0.812 1.024) 1.942 7.378 ( -3.430 1.839 -3.313) 5.111 9.413 ( -1.788 -2.356 0.328) 2.975 9.621 ( 4.929 -0.144 -1.676) 5.208 10.871 ( -0.405 2.587 0.958) 2.788 11.030 ( -0.176 -2.390 0.071) 2.397 11.073 ( -0.314 3.768 0.068) 3.781 11.200 ( 3.662 -3.062 1.292) 4.945 11.254 ( 2.218 -4.484 -0.803) 5.067 11.535 ( 0.100 -3.046 0.805) 3.152 12.403 ( -0.196 -0.869 0.123) 0.899 12.524 ( -2.411 -0.069 -0.714) 2.516 12.709 ( 2.879 1.165 1.915) 3.649 12.737 ( 2.268 1.592 -0.423) 2.803 12.850 ( 0.400 -1.457 -0.407) 1.565 12.915 ( -2.352 -0.251 -1.945) 3.063 23.097 ( 0.444 -0.871 8.313) 8.371 23.409 ( -2.761 3.027 -7.591) 8.626 24.118 ( 2.759 -2.597 -0.947) 3.906 24.150 ( 2.756 -3.020 -3.357) 5.290 24.741 ( -0.960 3.120 1.976) 3.816 24.753 ( -2.726 0.699 1.153) 3.042 27.964 ( -1.691 0.168 8.672) 8.837 28.302 ( 1.072 4.748 -2.930) 5.681 28.667 ( 1.476 -2.427 -1.704) 3.312 28.739 ( 0.935 -2.148 -6.092) 6.527 28.878 ( 3.640 -4.647 1.578) 6.110 28.984 ( 2.608 -3.215 -0.117) 4.141 29.920 ( -0.527 -1.149 0.594) 1.396 29.980 ( 0.465 0.708 -1.230) 1.494 30.132 ( -3.326 5.727 1.234) 6.737 30.203 ( -3.511 1.079 1.900) 4.136 42.667 ( -0.821 -0.287 2.627) 2.768 42.780 ( -0.574 2.384 -0.724) 2.556 43.112 ( 0.951 -3.060 -0.243) 3.214 43.241 ( 2.475 -0.377 -1.324) 2.832 43.302 ( 1.206 0.728 0.271) 1.434 43.319 ( -1.139 -1.398 -0.085) 1.805 50.193 ( 1.646 -1.677 0.660) 2.441 50.275 ( 0.764 -0.833 -3.541) 3.717 50.541 ( -1.521 1.569 3.296) 3.954 50.612 ( -2.221 2.266 -0.335) 3.191 85.592 ( 1.718 -2.359 -0.213) 2.926 85.708 ( 2.324 -3.613 -0.391) 4.314 85.934 ( 0.176 1.587 1.628) 2.280 86.042 ( -1.920 -4.017 0.937) 4.550 86.810 ( 9.234 3.424 17.832) 20.371 87.706 ( -4.774 -1.760 -27.086) 27.560 95.140 ( 2.517 -2.003 1.549) 3.570 95.204 ( 1.741 -2.724 -1.570) 3.594 95.968 ( -16.842 7.031 -1.028) 18.280 96.023 ( -5.980 16.339 -1.236) 17.443 97.155 ( -4.466 7.393 3.615) 9.362 97.302 ( -0.551 -7.525 0.915) 7.601 97.375 ( 5.529 0.520 2.143) 5.952 97.829 ( -1.137 1.793 -1.794) 2.780 98.686 ( 9.647 -12.573 6.673) 17.195 98.951 ( 9.271 -7.965 -6.220) 13.714 ======================= Grid point 101 (57/86) ======================= q-point: ( 0.12 -0.12 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -8.096 -6.460 0.000) 10.357 1.255 ( -19.839 -6.221 0.000) 20.791 1.694 ( 15.259 2.765 -0.000) 15.507 1.932 ( -19.179 -0.045 0.000) 19.180 2.185 ( 4.401 -6.666 -0.000) 7.988 2.354 ( 4.773 -2.252 -0.000) 5.278 2.382 ( -0.738 3.116 0.000) 3.202 2.445 ( 2.494 2.541 -0.000) 3.561 2.626 ( 0.216 1.228 0.000) 1.247 2.748 ( 0.763 8.978 0.000) 9.010 2.814 ( -0.674 5.259 0.000) 5.302 2.863 ( -8.047 5.747 0.000) 9.889 3.030 ( 1.428 -2.745 -0.000) 3.094 3.051 ( -8.278 7.500 0.000) 11.171 3.153 ( 3.140 1.156 -0.000) 3.346 3.209 ( 1.975 -0.513 -0.000) 2.040 3.626 ( -6.242 -8.799 0.000) 10.788 3.643 ( -8.731 -7.303 0.000) 11.383 4.024 ( 2.425 9.470 0.000) 9.776 4.070 ( -5.051 2.518 0.000) 5.644 4.651 ( 2.987 -2.799 -0.000) 4.093 5.010 ( 8.548 -4.164 -0.000) 9.508 6.468 ( 2.762 0.817 -0.000) 2.880 6.486 ( 0.801 -0.703 -0.000) 1.066 6.721 ( 0.007 3.920 0.000) 3.920 6.799 ( 4.568 0.504 -0.000) 4.596 7.189 ( 4.038 -3.338 -0.000) 5.239 7.434 ( 13.632 4.970 -0.000) 14.510 9.387 ( -0.474 1.549 0.000) 1.620 9.941 ( -3.907 5.125 0.000) 6.445 10.880 ( -0.635 1.303 0.000) 1.449 11.016 ( 0.101 1.139 0.000) 1.144 11.050 ( -1.131 -1.633 0.000) 1.986 11.081 ( -1.705 -1.360 0.000) 2.181 11.254 ( -2.575 -5.653 0.000) 6.212 11.312 ( 2.801 -8.381 -0.000) 8.836 12.469 ( -1.532 0.730 0.000) 1.697 12.520 ( -0.364 -0.360 0.000) 0.512 12.698 ( -3.698 2.654 0.000) 4.552 12.814 ( -0.497 -0.740 0.000) 0.892 12.837 ( 0.867 0.499 -0.000) 1.000 13.035 ( -0.535 4.004 0.000) 4.040 22.866 ( -4.546 -1.482 0.000) 4.782 23.611 ( 5.623 3.446 -0.000) 6.595 24.058 ( 2.049 -4.575 -0.000) 5.012 24.459 ( -4.237 -0.046 0.000) 4.237 24.511 ( 6.569 -0.093 -0.000) 6.570 24.711 ( -0.234 -0.266 0.000) 0.355 27.618 ( -7.035 -2.215 0.000) 7.375 28.480 ( -1.806 -6.428 -0.000) 6.677 28.704 ( 1.220 0.343 -0.000) 1.267 28.830 ( -1.257 -2.595 0.000) 2.883 28.913 ( 5.442 9.995 -0.000) 11.381 29.142 ( 5.923 -4.271 -0.000) 7.302 29.794 ( -5.692 0.574 0.000) 5.721 30.006 ( -0.504 -0.494 0.000) 0.706 30.087 ( -1.734 4.215 0.000) 4.558 30.118 ( -0.357 0.241 0.000) 0.430 42.560 ( -1.700 -1.011 0.000) 1.978 42.796 ( 0.634 0.092 -0.000) 0.640 43.147 ( -2.190 -1.690 0.000) 2.766 43.187 ( 1.942 -0.481 -0.000) 2.001 43.331 ( 0.819 -0.109 -0.000) 0.826 43.341 ( -1.653 0.248 0.000) 1.672 50.253 ( -0.159 -0.818 -0.000) 0.833 50.321 ( 1.885 -0.796 -0.000) 2.047 50.514 ( -0.847 1.333 0.000) 1.580 50.538 ( 0.027 1.293 0.000) 1.294 85.569 ( -6.080 -2.606 0.000) 6.614 85.759 ( -0.064 3.300 0.000) 3.301 85.793 ( -0.099 -3.146 -0.000) 3.147 86.073 ( 5.002 -0.794 -0.000) 5.065 86.289 ( -15.652 -1.578 0.000) 15.731 88.988 ( 23.606 17.006 -0.000) 29.094 95.110 ( -2.857 -0.965 0.000) 3.015 95.308 ( -5.014 -0.062 0.000) 5.014 95.869 ( 17.469 7.359 -0.000) 18.955 96.342 ( 8.670 16.222 -0.000) 18.394 96.886 ( -4.719 -3.637 0.000) 5.958 97.131 ( -0.502 1.508 0.000) 1.590 97.373 ( -7.332 -5.895 0.000) 9.408 97.515 ( 4.181 -16.638 -0.000) 17.155 98.654 ( -7.488 -4.613 0.000) 8.795 99.107 ( -5.058 -3.249 0.000) 6.012 ======================= Grid point 103 (58/86) ======================= q-point: ( 0.12 0.38 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 1.392 -4.033 16.904) 17.434 1.095 ( 11.163 -9.918 13.930) 20.421 1.404 ( 11.599 -11.877 19.207) 25.387 2.109 ( -7.010 -0.488 -7.889) 10.565 2.202 ( 5.443 3.309 -2.875) 6.989 2.317 ( -0.945 -2.306 -4.086) 4.786 2.396 ( 1.609 3.339 -3.511) 5.105 2.482 ( -0.353 1.294 -3.446) 3.698 2.535 ( 2.040 -4.358 -4.744) 6.758 2.638 ( -3.904 0.984 -0.278) 4.036 2.662 ( 0.021 2.945 -0.014) 2.945 2.830 ( 4.314 0.252 0.744) 4.385 2.931 ( -0.821 -3.806 -3.227) 5.057 2.965 ( 0.738 -1.181 -0.972) 1.698 3.082 ( 3.399 -5.867 1.455) 6.935 3.222 ( 6.464 2.680 -3.694) 7.913 3.304 ( -6.557 -4.143 -0.588) 7.778 3.393 ( 5.320 -2.715 1.534) 6.166 3.755 ( 11.671 -4.334 0.426) 12.457 3.793 ( 3.258 -9.883 -0.713) 10.431 4.873 ( -2.262 2.748 3.637) 5.089 5.285 ( -6.225 5.993 -6.021) 10.532 6.629 ( 0.620 2.997 0.294) 3.074 6.711 ( -2.448 0.255 0.692) 2.557 6.730 ( -2.402 1.698 1.554) 3.327 6.957 ( 3.109 -4.649 -9.908) 11.378 7.176 ( -4.221 5.194 6.081) 9.043 7.702 ( -5.536 5.260 -7.911) 10.996 9.370 ( 0.852 -1.381 0.701) 1.767 9.477 ( 5.812 -5.267 -1.765) 8.040 10.897 ( -1.169 0.562 1.126) 1.718 10.971 ( 2.720 -2.339 -0.623) 3.642 11.104 ( -0.327 1.736 0.602) 1.867 11.157 ( 1.240 -0.895 -0.704) 1.684 11.264 ( -6.132 6.110 3.397) 9.299 11.471 ( -1.758 -0.153 2.532) 3.086 12.397 ( -0.387 -0.267 -0.144) 0.491 12.510 ( 1.924 -2.810 0.998) 3.549 12.558 ( 3.856 -2.530 2.791) 5.391 12.748 ( 0.848 0.264 -2.091) 2.272 12.838 ( 0.210 0.047 -2.094) 2.105 12.923 ( 2.141 -2.956 -2.989) 4.717 22.898 ( 1.034 -1.059 8.327) 8.457 23.710 ( -4.462 4.525 -8.395) 10.529 24.070 ( 1.294 -1.064 -1.876) 2.516 24.128 ( 2.554 -2.888 -5.026) 6.334 24.789 ( -1.398 3.196 3.037) 4.625 24.796 ( -2.862 1.065 2.838) 4.169 27.795 ( -1.998 2.299 14.655) 14.968 28.374 ( -1.641 -1.731 -1.058) 2.610 28.611 ( 7.622 -3.319 -7.574) 11.246 28.768 ( 0.176 -0.838 -0.585) 1.038 28.790 ( 1.511 -1.286 -2.159) 2.932 28.919 ( 1.556 -2.417 -5.361) 6.083 29.873 ( 1.793 -2.343 0.744) 3.043 29.961 ( 1.353 -0.689 -1.818) 2.368 30.220 ( -0.937 1.165 3.061) 3.407 30.296 ( -6.607 6.415 4.902) 10.432 42.604 ( -0.136 0.018 4.787) 4.789 42.880 ( -3.203 3.535 0.330) 4.782 43.056 ( 0.931 -1.466 -0.856) 1.936 43.224 ( 1.809 -0.589 -2.602) 3.223 43.276 ( 0.106 -0.787 0.672) 1.040 43.304 ( 1.033 -1.278 -0.878) 1.863 50.149 ( 0.724 -0.723 -1.279) 1.638 50.348 ( -0.095 0.089 -5.425) 5.426 50.503 ( -0.566 0.568 5.316) 5.376 50.673 ( -1.240 1.247 1.688) 2.437 85.530 ( 0.275 -0.192 1.139) 1.187 85.609 ( 3.104 -2.624 -3.113) 5.120 85.862 ( -2.515 -2.673 5.489) 6.604 85.969 ( 3.740 0.470 3.350) 5.043 86.455 ( 1.716 1.390 10.908) 11.129 88.066 ( 16.416 -19.178 -39.884) 47.202 95.029 ( 1.561 -1.549 1.504) 2.664 95.155 ( 1.329 -1.424 -1.307) 2.345 96.498 ( -15.021 12.769 -0.291) 19.717 96.628 ( -14.599 16.655 -2.223) 22.259 97.149 ( 1.774 -2.086 1.363) 3.059 97.202 ( 2.424 -0.654 1.456) 2.903 97.422 ( -5.336 6.148 6.118) 10.184 97.925 ( -5.398 5.482 1.365) 7.813 98.042 ( 13.531 -16.141 5.550) 21.781 98.652 ( 10.783 -10.121 -4.088) 15.343 ======================= Grid point 104 (59/86) ======================= q-point: ( 0.12 0.62 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 4.320 4.543 2.884) 6.901 1.611 ( -6.578 -1.075 -3.071) 7.339 1.799 ( 9.127 -6.913 6.015) 12.933 1.978 ( -1.325 -2.137 2.055) 3.247 2.107 ( -7.613 -1.329 3.861) 8.639 2.324 ( -1.341 -1.059 -4.462) 4.778 2.401 ( 1.534 0.872 -0.607) 1.866 2.417 ( 3.498 3.721 -3.671) 6.290 2.583 ( 0.625 -1.124 2.364) 2.691 2.703 ( 2.629 4.344 -2.510) 5.665 2.735 ( 7.160 5.600 -1.505) 9.214 2.852 ( 0.023 4.783 1.398) 4.983 2.951 ( 2.149 -4.559 -2.615) 5.678 3.073 ( 3.834 -3.416 -2.165) 5.573 3.287 ( 1.283 -2.187 5.641) 6.184 3.372 ( 2.071 3.354 0.072) 3.943 3.408 ( 8.444 7.463 3.616) 11.835 3.639 ( 2.346 5.980 -0.539) 6.446 3.813 ( 3.632 5.091 -8.234) 10.340 4.130 ( 5.839 -7.773 1.166) 9.792 4.760 ( -8.475 -3.049 -0.401) 9.015 4.923 ( -2.513 -3.757 0.271) 4.528 6.504 ( -4.568 -0.742 0.039) 4.628 6.544 ( -2.801 -2.868 0.303) 4.020 6.770 ( -0.935 8.203 0.184) 8.259 6.798 ( -3.932 4.316 4.169) 7.174 7.105 ( -1.256 -3.192 0.557) 3.475 7.267 ( -5.396 -2.981 -5.525) 8.278 9.398 ( 0.573 1.804 -1.110) 2.194 9.793 ( 8.509 1.514 -0.040) 8.643 10.929 ( -0.072 2.276 3.499) 4.175 10.991 ( -1.144 1.354 -0.402) 1.817 11.098 ( -2.098 1.671 -0.064) 2.683 11.148 ( -0.378 -5.347 -0.476) 5.382 11.216 ( 2.845 -3.052 -1.344) 4.383 11.378 ( -3.244 -7.362 0.516) 8.061 12.448 ( 1.793 1.437 0.714) 2.406 12.525 ( 0.629 1.767 -2.337) 2.997 12.710 ( 0.927 -1.824 2.627) 3.330 12.832 ( 0.789 -0.565 -0.455) 1.071 12.844 ( -0.106 1.471 0.933) 1.745 12.977 ( 3.573 4.520 -2.320) 6.211 23.043 ( -2.744 -1.274 4.064) 5.066 23.457 ( 0.800 2.879 -3.585) 4.667 24.021 ( -0.191 -4.154 -0.848) 4.244 24.262 ( 6.106 0.121 -2.556) 6.621 24.639 ( -5.566 -1.020 1.487) 5.851 24.754 ( -1.952 0.184 1.083) 2.240 27.877 ( -4.932 -0.905 3.966) 6.393 28.468 ( 3.899 5.067 7.859) 10.131 28.590 ( -0.751 -7.497 -5.300) 9.212 28.782 ( 3.111 3.456 -5.868) 7.487 28.834 ( 1.360 -3.671 -1.116) 4.071 28.973 ( 2.884 -2.847 0.545) 4.089 29.939 ( 1.024 1.429 0.687) 1.887 30.010 ( 0.192 1.062 -2.225) 2.473 30.133 ( -3.466 0.636 2.964) 4.604 30.188 ( -2.020 3.630 -0.139) 4.156 42.633 ( -1.644 -0.301 1.292) 2.113 42.788 ( -0.937 0.063 0.299) 0.985 43.107 ( 2.094 -0.477 -0.545) 2.216 43.234 ( -1.776 -2.271 0.066) 2.884 43.283 ( 1.916 -0.304 -1.117) 2.239 43.354 ( 0.788 0.914 0.476) 1.297 50.207 ( 2.293 -0.863 0.493) 2.500 50.269 ( 0.172 -0.699 -2.487) 2.589 50.547 ( -0.706 1.193 2.267) 2.657 50.599 ( -2.638 1.316 -0.236) 2.957 85.649 ( 3.795 1.223 1.021) 4.116 85.722 ( 2.228 0.159 -2.269) 3.184 85.856 ( -2.030 -4.550 1.459) 5.191 85.985 ( -1.743 1.427 -0.612) 2.334 86.791 ( -5.724 -6.256 10.527) 13.518 88.047 ( 18.986 13.395 -15.730) 28.059 95.147 ( 1.436 -1.267 0.763) 2.062 95.275 ( 6.901 0.710 -0.836) 6.987 95.777 ( -12.859 4.135 -2.788) 13.792 96.232 ( -5.513 14.848 2.474) 16.030 97.087 ( -3.828 -3.518 0.802) 5.261 97.233 ( -5.568 8.972 3.189) 11.030 97.360 ( 3.741 -11.722 -1.511) 12.397 97.693 ( -7.556 -7.742 0.528) 10.831 98.627 ( 7.456 -7.264 3.334) 10.930 99.040 ( 9.036 -3.479 -3.406) 10.264 ======================= Grid point 105 (60/86) ======================= q-point: ( 0.19 -0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -20.724 -0.981 0.000) 20.747 1.186 ( -12.160 2.412 0.000) 12.397 1.820 ( 12.607 8.814 -0.000) 15.382 1.899 ( -18.160 -3.279 0.000) 18.454 2.018 ( 9.228 -8.555 -0.000) 12.584 2.338 ( 3.274 0.578 -0.000) 3.325 2.445 ( 0.145 2.832 0.000) 2.836 2.468 ( 3.090 0.065 -0.000) 3.091 2.640 ( 1.129 -0.650 -0.000) 1.303 2.850 ( -4.722 -6.460 0.000) 8.002 2.863 ( -0.493 -0.089 0.000) 0.500 2.875 ( 2.720 2.942 -0.000) 4.007 3.038 ( -6.034 5.439 0.000) 8.124 3.209 ( 1.599 -0.222 -0.000) 1.615 3.221 ( 1.873 2.954 -0.000) 3.498 3.281 ( -14.015 13.965 0.000) 19.785 3.426 ( -8.223 -10.166 0.000) 13.076 3.454 ( -7.569 -9.719 0.000) 12.318 4.085 ( -5.400 -0.695 0.000) 5.444 4.169 ( -4.793 3.975 0.000) 6.227 4.659 ( 4.480 2.747 -0.000) 5.255 4.939 ( 14.923 -2.398 -0.000) 15.114 6.485 ( 1.896 0.653 -0.000) 2.006 6.490 ( 1.558 1.545 -0.000) 2.195 6.757 ( 5.117 -3.985 -0.000) 6.486 6.767 ( -2.195 0.022 0.000) 2.195 7.139 ( 6.410 -0.916 -0.000) 6.475 7.500 ( 19.038 0.389 -0.000) 19.042 9.429 ( -2.017 2.238 0.000) 3.013 9.953 ( -3.017 -4.260 0.000) 5.220 10.879 ( -0.413 -1.809 -0.000) 1.856 11.002 ( -1.826 -0.244 0.000) 1.842 11.126 ( 0.188 2.481 0.000) 2.488 11.126 ( -1.292 7.855 0.000) 7.960 11.134 ( -0.331 -4.561 -0.000) 4.573 11.186 ( 0.317 -1.781 -0.000) 1.809 12.479 ( -1.644 0.155 0.000) 1.651 12.527 ( -1.185 0.998 0.000) 1.549 12.687 ( -2.779 -2.693 0.000) 3.870 12.833 ( 1.888 -1.000 -0.000) 2.137 12.845 ( -2.765 2.635 0.000) 3.820 13.075 ( -1.816 -0.077 0.000) 1.818 22.853 ( -4.660 0.188 0.000) 4.664 23.650 ( 6.256 0.006 -0.000) 6.256 24.007 ( 1.937 0.077 -0.000) 1.939 24.456 ( -3.857 -0.309 0.000) 3.869 24.513 ( 6.776 0.315 -0.000) 6.783 24.704 ( 0.268 -0.314 -0.000) 0.413 27.599 ( -7.520 0.266 0.000) 7.525 28.341 ( 0.500 -5.778 -0.000) 5.799 28.726 ( 0.408 1.549 0.000) 1.602 28.797 ( -0.638 -0.491 0.000) 0.805 29.027 ( 1.708 -3.051 -0.000) 3.497 29.142 ( 8.892 7.699 -0.000) 11.762 29.798 ( -6.414 -0.280 0.000) 6.420 29.988 ( -1.111 -1.355 0.000) 1.752 30.116 ( -0.063 -0.383 -0.000) 0.388 30.154 ( -2.602 2.110 0.000) 3.350 42.550 ( -1.890 0.079 0.000) 1.892 42.791 ( 1.021 -0.459 -0.000) 1.120 43.129 ( -2.011 0.036 0.000) 2.011 43.194 ( 1.543 1.117 -0.000) 1.905 43.323 ( 1.056 -0.622 -0.000) 1.225 43.340 ( -1.865 -0.353 0.000) 1.898 50.245 ( -0.126 0.044 0.000) 0.134 50.314 ( 1.948 0.093 -0.000) 1.950 50.526 ( -0.849 -0.101 0.000) 0.855 50.551 ( -0.013 -0.008 0.000) 0.015 85.547 ( -6.196 0.342 0.000) 6.206 85.746 ( -0.224 -1.043 -0.000) 1.067 85.867 ( -3.102 6.087 0.000) 6.832 86.057 ( 6.588 -0.268 -0.000) 6.593 86.259 ( -14.190 -1.518 0.000) 14.271 89.127 ( 23.995 -4.019 -0.000) 24.330 95.099 ( -2.887 -0.060 0.000) 2.888 95.308 ( -5.550 0.032 0.000) 5.550 95.981 ( 19.744 2.866 -0.000) 19.951 96.529 ( 9.149 -2.730 -0.000) 9.547 96.838 ( -4.126 -1.139 0.000) 4.281 97.225 ( -4.932 -7.097 0.000) 8.643 97.227 ( -1.139 1.042 0.000) 1.544 97.308 ( 0.771 8.611 0.000) 8.646 98.578 ( -7.144 -2.864 0.000) 7.697 99.094 ( -6.398 1.886 0.000) 6.670 ======================= Grid point 107 (61/86) ======================= q-point: ( 0.19 0.31 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 6.272 2.716 18.676) 19.887 0.963 ( 10.498 -2.058 18.348) 21.239 1.275 ( 16.288 -0.117 21.691) 27.126 2.106 ( -6.558 1.413 -6.079) 9.053 2.244 ( 4.948 -3.111 -7.812) 9.757 2.315 ( 2.732 4.449 -4.009) 6.582 2.368 ( 2.611 -2.571 -5.245) 6.398 2.442 ( 0.199 -1.032 -5.346) 5.448 2.612 ( -1.679 3.242 -1.212) 3.847 2.635 ( -0.243 -5.326 -1.710) 5.599 2.705 ( 1.624 5.865 -1.708) 6.321 2.743 ( 5.040 -5.136 0.600) 7.221 2.932 ( 0.053 3.699 0.637) 3.754 2.959 ( 1.563 -3.598 0.920) 4.029 3.024 ( -0.041 4.029 -2.370) 4.675 3.166 ( -0.412 -3.679 -1.466) 3.982 3.316 ( -0.539 2.759 -1.632) 3.251 3.506 ( 1.803 1.799 5.066) 5.670 3.526 ( 8.897 -3.596 -3.427) 10.190 3.751 ( 12.959 0.681 0.189) 12.978 4.900 ( -2.897 -0.132 3.883) 4.846 5.349 ( -7.128 0.072 -6.684) 9.772 6.623 ( -3.339 -1.269 -0.106) 3.573 6.703 ( -2.902 1.042 0.255) 3.094 6.763 ( -0.845 0.030 0.981) 1.295 6.915 ( 11.860 0.303 -7.035) 13.793 7.229 ( -5.737 -0.167 6.459) 8.641 7.757 ( -3.695 0.102 -7.736) 8.574 9.357 ( 1.409 0.244 0.701) 1.592 9.422 ( 6.550 -0.254 -0.644) 6.587 10.911 ( -0.032 0.503 0.661) 0.832 10.939 ( 2.632 -0.470 -0.112) 2.676 11.123 ( -1.620 -0.740 -0.125) 1.785 11.136 ( -0.479 0.358 -0.182) 0.625 11.353 ( -2.959 -0.616 2.212) 3.745 11.471 ( -9.319 1.120 2.659) 9.756 12.410 ( 0.724 0.658 0.213) 1.001 12.460 ( 4.969 -0.334 -0.109) 4.981 12.531 ( 2.225 -0.335 3.697) 4.328 12.746 ( 0.039 -0.267 -1.614) 1.636 12.842 ( 0.405 -0.331 -2.730) 2.779 12.890 ( 4.384 0.473 -3.541) 5.656 22.887 ( 1.037 0.008 8.648) 8.710 23.764 ( -5.326 -0.032 -9.749) 11.109 24.037 ( -0.755 -0.035 -1.753) 1.909 24.113 ( 5.385 0.081 -4.117) 6.779 24.805 ( -3.697 -0.172 3.131) 4.848 24.825 ( -1.768 0.173 3.119) 3.589 27.828 ( -4.969 -0.128 14.789) 15.602 28.384 ( 1.112 2.071 0.558) 2.416 28.517 ( 8.450 -2.235 -8.081) 11.904 28.768 ( 0.408 0.553 -1.505) 1.655 28.779 ( 0.306 -0.570 1.034) 1.220 28.897 ( 2.846 0.332 -6.832) 7.408 29.849 ( 3.724 0.146 1.070) 3.877 29.950 ( 0.804 -0.179 -2.123) 2.277 30.230 ( -1.212 -0.031 3.467) 3.673 30.376 ( -8.527 0.012 2.428) 8.866 42.605 ( -0.300 0.037 5.291) 5.299 42.924 ( -6.027 -0.171 0.096) 6.030 43.044 ( 1.271 0.279 -0.673) 1.465 43.206 ( 2.424 -0.489 -3.894) 4.613 43.263 ( -0.193 0.317 0.489) 0.614 43.297 ( 2.489 0.036 -0.172) 2.496 50.142 ( 0.619 -0.001 -1.283) 1.424 50.349 ( -0.229 0.002 -5.582) 5.587 50.509 ( -0.493 -0.000 5.507) 5.529 50.686 ( -1.220 -0.003 1.744) 2.128 85.535 ( -0.052 -0.026 0.044) 0.073 85.573 ( 3.247 -0.168 -3.543) 4.809 85.881 ( -1.908 4.065 5.659) 7.224 85.940 ( 2.220 -3.854 4.246) 6.149 86.449 ( -1.192 -1.085 9.960) 10.090 87.829 ( 35.652 1.089 -34.102) 49.347 95.014 ( 1.579 -0.002 1.582) 2.235 95.142 ( 1.556 0.025 -1.294) 2.024 96.646 ( -23.454 0.288 -0.997) 23.477 96.903 ( -17.646 1.875 2.074) 17.866 97.052 ( 1.060 -3.030 -1.127) 3.402 97.185 ( -0.282 0.169 0.881) 0.941 97.476 ( 0.847 -0.398 3.504) 3.627 97.838 ( 25.008 0.877 -2.064) 25.108 98.028 ( -17.356 0.429 9.136) 19.618 98.528 ( 12.595 -0.272 -3.664) 13.119 ======================= Grid point 108 (62/86) ======================= q-point: ( 0.19 0.56 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 4.706 9.023 2.988) 10.606 1.590 ( 4.152 -11.150 6.761) 13.684 1.658 ( -4.659 4.493 0.587) 6.499 1.977 ( -5.834 1.195 0.601) 5.985 2.132 ( -3.968 3.597 2.653) 5.977 2.316 ( -2.119 0.294 -3.589) 4.178 2.384 ( 3.115 -2.685 0.181) 4.116 2.462 ( -1.159 -0.384 -3.008) 3.246 2.558 ( 5.336 -0.758 -1.266) 5.537 2.711 ( 10.487 -3.940 -5.199) 12.350 2.781 ( 1.344 1.160 2.573) 3.126 2.925 ( 1.729 0.086 -2.211) 2.808 2.964 ( 0.376 4.063 1.290) 4.280 3.026 ( 7.778 2.176 -2.685) 8.511 3.203 ( 2.934 -6.267 4.663) 8.345 3.325 ( 6.228 -4.285 -0.019) 7.560 3.658 ( 5.451 9.773 1.788) 11.332 3.710 ( 5.543 1.011 3.757) 6.772 3.857 ( 7.811 -1.235 -2.744) 8.370 4.000 ( 4.124 -2.033 -4.790) 6.639 4.738 ( -7.428 0.918 -0.237) 7.488 4.867 ( -8.506 -1.680 -0.235) 8.674 6.491 ( -1.493 -1.844 0.266) 2.387 6.502 ( -3.826 0.802 0.045) 3.910 6.818 ( -2.032 -2.479 4.258) 5.330 6.924 ( -3.210 6.294 0.942) 7.128 7.025 ( -2.319 -5.283 -0.429) 5.785 7.244 ( -9.327 1.501 -6.620) 11.536 9.445 ( 1.446 2.510 0.257) 2.908 9.772 ( 9.697 -3.286 -2.152) 10.462 10.942 ( -1.317 -2.347 3.109) 4.112 11.049 ( -1.461 -1.711 -0.413) 2.287 11.055 ( 2.201 1.984 -0.765) 3.060 11.085 ( 0.631 0.229 -1.276) 1.442 11.241 ( -3.522 -4.451 0.932) 5.752 11.293 ( -2.988 7.563 1.162) 8.214 12.469 ( 1.213 0.655 1.427) 1.984 12.567 ( 0.616 2.185 -3.356) 4.052 12.665 ( 1.218 -2.528 2.554) 3.795 12.795 ( 1.969 -2.366 -1.140) 3.282 12.873 ( 1.317 0.873 1.341) 2.073 13.033 ( 4.092 0.818 -1.806) 4.547 23.033 ( -2.869 0.251 4.157) 5.057 23.486 ( 0.855 -0.134 -3.733) 3.832 23.978 ( -0.479 0.034 -0.503) 0.695 24.264 ( 5.931 0.051 -2.736) 6.532 24.626 ( -5.750 -0.179 1.560) 5.961 24.755 ( -2.713 0.063 0.886) 2.854 27.875 ( -5.456 0.641 5.272) 7.614 28.414 ( -1.636 -7.936 -6.441) 10.351 28.589 ( 4.125 5.858 7.684) 10.506 28.783 ( 1.719 -1.138 -2.404) 3.167 28.841 ( 3.157 0.837 -1.089) 3.443 28.950 ( 3.664 1.480 -3.085) 5.014 29.963 ( 1.047 0.779 0.238) 1.327 30.016 ( 0.983 -0.495 -1.462) 1.830 30.123 ( -3.777 -1.273 2.179) 4.543 30.243 ( -1.929 1.278 0.724) 2.424 42.636 ( -2.062 0.571 1.827) 2.814 42.776 ( -0.994 -1.034 -0.407) 1.491 43.119 ( 1.993 1.503 0.345) 2.520 43.199 ( -1.054 -0.923 -0.193) 1.414 43.275 ( 1.644 -0.427 -1.506) 2.270 43.366 ( 0.579 0.234 0.393) 0.738 50.199 ( 2.302 0.027 0.547) 2.366 50.262 ( 0.052 0.048 -2.503) 2.504 50.559 ( -0.623 -0.033 2.273) 2.357 50.612 ( -2.643 -0.034 -0.266) 2.657 85.660 ( 2.952 -0.318 1.905) 3.528 85.753 ( 6.411 1.991 -2.085) 7.029 85.807 ( -4.271 0.030 1.691) 4.594 86.025 ( -2.040 2.677 -1.145) 3.555 86.657 ( -3.713 -6.061 9.499) 11.864 88.208 ( 20.335 1.646 -16.361) 26.151 95.133 ( 1.542 -0.158 0.650) 1.681 95.289 ( 7.793 0.558 -0.737) 7.847 95.833 ( -13.399 1.053 -3.111) 13.796 96.400 ( -8.149 -1.808 6.458) 10.554 97.092 ( -2.037 2.802 -4.731) 5.864 97.132 ( 2.874 -4.707 -1.606) 5.744 97.438 ( -6.146 -1.641 4.511) 7.798 97.525 ( -10.345 3.870 2.450) 11.314 98.551 ( 7.944 -0.446 1.655) 8.127 99.008 ( 10.677 0.501 -2.329) 10.939 ======================= Grid point 119 (63/86) ======================= q-point: ( 0.19 -0.69 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.488 11.246 -0.108) 11.257 1.756 ( -1.517 7.425 3.126) 8.198 2.001 ( -2.090 0.286 0.099) 2.112 2.096 ( -0.884 -1.460 -4.101) 4.442 2.111 ( 1.517 -2.140 4.590) 5.287 2.160 ( 2.501 -1.269 -0.980) 2.971 2.284 ( 1.673 -2.720 0.494) 3.231 2.313 ( -1.390 -9.101 -2.698) 9.594 2.512 ( -1.253 -0.963 0.923) 1.830 2.539 ( 1.265 -3.075 -1.255) 3.554 2.625 ( 0.774 -4.282 -1.889) 4.744 2.649 ( -1.741 -6.676 3.147) 7.583 2.925 ( 3.509 2.411 3.760) 5.681 2.978 ( -0.042 -5.285 0.902) 5.362 3.004 ( -3.556 -3.392 -6.300) 7.990 3.191 ( 1.101 -2.588 1.379) 3.132 3.486 ( -0.267 5.342 -0.774) 5.404 3.656 ( -1.371 5.478 1.367) 5.810 3.859 ( 2.548 -7.090 -3.393) 8.262 3.992 ( -1.566 -6.129 3.217) 7.097 5.063 ( 0.724 8.689 0.723) 8.749 5.162 ( -0.552 3.810 -0.923) 3.959 6.443 ( 0.221 -0.453 -0.304) 0.589 6.491 ( 0.001 -2.257 0.781) 2.389 6.527 ( -0.093 -0.315 -1.522) 1.558 6.574 ( -0.165 -2.552 0.333) 2.579 7.322 ( -0.044 3.087 0.202) 3.094 7.359 ( 0.040 1.211 -0.080) 1.214 9.428 ( -0.091 1.777 1.684) 2.450 9.593 ( 0.088 -6.085 -1.836) 6.357 10.844 ( 0.111 1.699 -1.331) 2.161 10.927 ( -0.112 -1.571 0.708) 1.727 11.311 ( -1.223 7.930 0.123) 8.025 11.362 ( 1.961 5.877 -0.057) 6.196 11.488 ( 0.218 1.576 -0.110) 1.595 11.511 ( -1.007 -0.835 1.065) 1.687 12.454 ( -0.791 -0.840 0.819) 1.414 12.486 ( -0.250 -0.734 -0.253) 0.815 12.578 ( 2.579 -2.782 -0.605) 3.841 12.649 ( -1.559 -6.436 -0.813) 6.671 12.836 ( 0.052 -0.002 0.148) 0.157 12.870 ( 0.007 -1.035 0.487) 1.144 23.101 ( -0.004 4.474 0.186) 4.478 23.312 ( 0.001 -5.436 -0.140) 5.438 24.283 ( 0.133 6.020 -0.040) 6.022 24.411 ( -0.293 -0.540 0.247) 0.662 24.583 ( 0.289 2.291 -0.169) 2.315 24.693 ( -0.136 -2.255 -0.072) 2.260 27.956 ( 0.142 6.164 1.106) 6.264 28.211 ( -0.293 -5.312 -2.645) 5.941 28.777 ( 0.245 1.674 1.250) 2.104 28.872 ( -0.062 -1.252 -1.166) 1.712 28.999 ( -0.048 3.518 1.944) 4.019 29.061 ( 0.024 0.352 -0.616) 0.710 29.885 ( -0.385 -0.465 0.379) 0.713 29.936 ( 0.332 -2.380 -1.600) 2.887 29.995 ( 0.335 -0.442 1.127) 1.256 30.054 ( -0.278 -2.865 0.263) 2.890 42.673 ( -0.066 1.896 0.394) 1.937 42.737 ( 0.077 -1.167 -0.511) 1.276 43.223 ( -0.538 1.718 0.520) 1.874 43.268 ( 1.162 0.847 -0.008) 1.438 43.306 ( -0.709 -0.821 -0.108) 1.089 43.318 ( 0.071 -0.108 -0.330) 0.354 50.317 ( 0.003 2.470 0.028) 2.470 50.345 ( -0.005 2.104 0.084) 2.106 50.447 ( -0.010 -2.802 -0.111) 2.805 50.461 ( 0.013 -2.567 0.006) 2.567 85.764 ( 0.232 1.667 0.946) 1.931 85.808 ( -1.180 2.035 0.637) 2.437 85.893 ( 2.013 2.318 -1.721) 3.519 86.061 ( -1.679 -1.415 1.745) 2.805 86.782 ( 1.762 10.953 -1.149) 11.153 87.504 ( -1.162 -23.492 -0.510) 23.526 95.220 ( 0.109 2.286 -0.156) 2.293 95.318 ( -0.288 -2.325 0.164) 2.349 95.516 ( 0.140 -1.564 0.788) 1.757 95.646 ( 0.068 -8.413 -0.682) 8.441 97.167 ( 0.269 8.542 -1.465) 8.671 97.342 ( -0.733 6.417 2.569) 6.951 97.591 ( 2.576 -6.800 -0.142) 7.273 97.620 ( -2.039 -1.656 -1.169) 2.875 99.085 ( -0.355 10.394 -0.272) 10.404 99.288 ( 0.274 0.277 0.431) 0.581 ======================= Grid point 122 (64/86) ======================= q-point: ( 0.19 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -5.853 2.494 0.000) 6.362 1.510 ( 9.122 7.011 -0.000) 11.505 1.779 ( 1.505 6.677 0.000) 6.845 1.853 ( 11.097 -5.012 -0.000) 12.176 2.103 ( -3.242 11.538 0.000) 11.985 2.302 ( 2.883 -4.380 -0.000) 5.244 2.407 ( -1.604 -2.612 0.000) 3.065 2.449 ( -0.662 -2.409 -0.000) 2.498 2.532 ( -4.855 -1.549 0.000) 5.096 2.778 ( -4.802 -5.920 0.000) 7.623 2.866 ( 0.911 -0.477 -0.000) 1.029 2.936 ( 0.802 7.894 0.000) 7.935 3.069 ( -3.670 -9.486 -0.000) 10.171 3.116 ( -8.115 -7.399 0.000) 10.982 3.198 ( 4.536 -0.219 -0.000) 4.542 3.314 ( -10.022 4.160 0.000) 10.851 3.417 ( -7.591 7.203 0.000) 10.464 3.694 ( 2.386 5.553 0.000) 6.044 3.934 ( -8.672 -9.079 0.000) 12.555 4.287 ( 4.287 -1.475 -0.000) 4.534 4.737 ( 3.651 -2.279 -0.000) 4.304 4.776 ( 9.448 1.720 -0.000) 9.603 6.459 ( -0.589 -0.549 0.000) 0.806 6.509 ( 2.266 -1.366 -0.000) 2.646 6.644 ( -7.532 6.965 0.000) 10.259 6.739 ( -5.748 0.549 0.000) 5.774 7.166 ( 6.424 3.191 -0.000) 7.173 7.215 ( 3.078 -10.177 -0.000) 10.633 9.509 ( 1.590 1.536 -0.000) 2.211 9.771 ( -8.541 -5.183 0.000) 9.991 10.823 ( -4.203 1.509 0.000) 4.466 10.991 ( -1.946 -0.345 0.000) 1.977 11.100 ( 1.032 0.895 -0.000) 1.366 11.197 ( 3.795 -0.085 -0.000) 3.796 11.222 ( 8.122 -1.266 -0.000) 8.220 11.404 ( 8.020 4.103 -0.000) 9.008 12.518 ( 0.264 2.089 0.000) 2.106 12.552 ( 0.891 -2.103 -0.000) 2.284 12.638 ( -4.214 0.099 0.000) 4.215 12.761 ( -2.324 -0.786 0.000) 2.454 12.912 ( -0.012 0.262 0.000) 0.263 13.033 ( -4.490 -1.102 0.000) 4.624 22.980 ( 1.806 5.775 0.000) 6.051 23.501 ( -3.200 -4.972 0.000) 5.913 24.028 ( 4.509 -1.203 -0.000) 4.667 24.379 ( 0.467 -7.225 -0.000) 7.240 24.541 ( 0.631 4.924 0.000) 4.964 24.721 ( 0.500 1.663 0.000) 1.737 27.797 ( 2.815 8.909 0.000) 9.343 28.227 ( -3.301 -2.063 0.000) 3.892 28.731 ( 0.357 -1.300 -0.000) 1.348 28.857 ( 4.675 1.457 -0.000) 4.897 28.883 ( -3.679 -3.976 0.000) 5.417 29.125 ( 5.153 -7.462 -0.000) 9.068 29.904 ( -1.718 5.792 0.000) 6.042 29.965 ( -1.964 0.369 0.000) 1.998 30.087 ( -1.673 -0.938 0.000) 1.918 30.212 ( -1.252 1.985 0.000) 2.347 42.613 ( 1.350 2.867 -0.000) 3.169 42.755 ( -0.899 -1.126 0.000) 1.441 43.184 ( 1.693 1.423 -0.000) 2.211 43.204 ( 2.430 -1.174 -0.000) 2.699 43.274 ( -1.085 -1.921 0.000) 2.206 43.359 ( -0.811 1.037 0.000) 1.317 50.250 ( 0.917 -0.677 -0.000) 1.140 50.278 ( 0.984 -2.516 -0.000) 2.702 50.539 ( -1.479 1.960 0.000) 2.456 50.548 ( -1.347 1.115 0.000) 1.749 85.689 ( 1.487 2.668 -0.000) 3.055 85.753 ( 1.643 1.835 -0.000) 2.463 85.905 ( -1.615 -5.217 -0.000) 5.462 86.058 ( 6.138 1.208 -0.000) 6.256 86.481 ( -0.911 11.459 0.000) 11.495 88.398 ( -17.478 -23.086 0.000) 28.955 95.148 ( 0.802 1.012 -0.000) 1.291 95.397 ( -1.007 0.833 0.000) 1.307 95.684 ( -2.127 -5.651 -0.000) 6.039 96.167 ( -17.144 -1.842 0.000) 17.242 96.938 ( 1.383 5.275 0.000) 5.454 97.219 ( -1.660 4.164 0.000) 4.483 97.337 ( 11.363 -1.486 -0.000) 11.460 97.642 ( 9.921 3.654 -0.000) 10.573 98.654 ( 4.410 1.768 -0.000) 4.751 99.193 ( 3.620 -3.290 -0.000) 4.891 ======================= Grid point 127 (65/86) ======================= q-point: (-0.81 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -3.175 -5.817 0.000) 6.626 1.759 ( 9.045 -2.416 -0.000) 9.362 2.057 ( -1.364 -0.001 0.000) 1.364 2.090 ( 9.710 8.557 -0.000) 12.942 2.115 ( -6.149 -2.994 0.000) 6.839 2.262 ( -1.113 7.317 0.000) 7.401 2.300 ( -2.546 -5.426 0.000) 5.993 2.340 ( -0.235 -4.835 -0.000) 4.841 2.500 ( -1.690 3.109 0.000) 3.539 2.538 ( 2.025 -2.718 -0.000) 3.389 2.663 ( -11.966 -9.076 0.000) 15.018 2.859 ( -4.558 -1.951 0.000) 4.958 2.942 ( 4.415 3.221 -0.000) 5.465 3.098 ( -1.774 5.407 0.000) 5.690 3.234 ( -3.919 2.125 0.000) 4.458 3.261 ( 5.995 -3.005 -0.000) 6.706 3.453 ( -4.460 6.061 0.000) 7.525 3.545 ( -5.594 -9.194 0.000) 10.763 3.628 ( -7.357 -2.921 0.000) 7.916 4.314 ( 2.110 -2.352 -0.000) 3.160 4.870 ( 4.855 1.062 -0.000) 4.970 4.962 ( 7.952 -1.857 -0.000) 8.166 6.483 ( 0.108 4.042 0.000) 4.044 6.584 ( 0.743 4.537 0.000) 4.597 6.638 ( -5.432 0.627 0.000) 5.468 6.658 ( -6.646 7.250 0.000) 9.835 7.169 ( 5.107 -4.781 -0.000) 6.996 7.326 ( 1.822 1.629 -0.000) 2.444 9.505 ( -5.531 -5.279 0.000) 7.646 9.573 ( 2.138 2.288 -0.000) 3.131 10.819 ( -0.297 2.649 0.000) 2.666 10.991 ( -1.002 2.690 0.000) 2.871 11.124 ( 4.110 -4.410 -0.000) 6.029 11.265 ( 3.863 -1.010 -0.000) 3.993 11.322 ( 5.233 -3.737 -0.000) 6.430 11.571 ( 2.559 0.521 -0.000) 2.611 12.455 ( -1.993 -3.991 0.000) 4.460 12.520 ( -3.484 -0.339 0.000) 3.501 12.621 ( 1.249 4.842 0.000) 5.001 12.744 ( -0.255 0.851 0.000) 0.888 12.883 ( -0.780 -1.289 0.000) 1.507 12.905 ( -4.983 -0.658 0.000) 5.027 23.151 ( 3.148 6.001 -0.000) 6.776 23.323 ( -5.097 -4.340 0.000) 6.695 24.120 ( 6.170 -0.676 -0.000) 6.207 24.244 ( 0.514 -7.074 -0.000) 7.093 24.673 ( 1.400 5.007 0.000) 5.199 24.750 ( -1.479 0.937 0.000) 1.751 28.067 ( 5.135 9.839 -0.000) 11.098 28.106 ( -3.657 -3.298 0.000) 4.925 28.712 ( 1.331 -2.163 -0.000) 2.539 28.742 ( -2.149 -3.650 0.000) 4.235 28.997 ( 5.620 0.637 -0.000) 5.656 29.046 ( 2.450 -7.585 -0.000) 7.971 29.940 ( -2.034 1.340 0.000) 2.436 29.946 ( -1.837 1.337 0.000) 2.272 30.041 ( -2.720 2.455 0.000) 3.664 30.195 ( -3.244 1.426 0.000) 3.544 42.707 ( 1.380 3.162 0.000) 3.450 42.711 ( -1.198 -1.183 0.000) 1.684 43.185 ( 0.232 -3.612 -0.000) 3.619 43.238 ( 2.508 -0.585 -0.000) 2.576 43.271 ( 1.559 1.775 -0.000) 2.363 43.344 ( -1.434 -0.451 0.000) 1.504 50.253 ( 1.525 -1.513 -0.000) 2.148 50.256 ( 1.579 -2.221 -0.000) 2.725 50.545 ( -2.270 2.355 0.000) 3.271 50.546 ( -2.076 2.183 0.000) 3.013 85.660 ( 0.647 -4.036 -0.000) 4.087 85.790 ( 0.291 -4.385 -0.000) 4.395 85.884 ( 1.757 3.972 0.000) 4.343 86.120 ( -0.138 -2.077 -0.000) 2.082 86.811 ( 11.372 14.066 -0.000) 18.088 87.619 ( -19.333 -15.121 0.000) 24.544 95.178 ( 2.261 -0.473 -0.000) 2.310 95.280 ( -0.751 -5.807 -0.000) 5.856 95.725 ( -3.813 11.114 0.000) 11.750 95.855 ( -15.061 3.248 0.000) 15.408 97.061 ( -0.027 4.404 0.000) 4.405 97.352 ( 6.483 3.749 -0.000) 7.489 97.466 ( 4.569 -7.001 -0.000) 8.360 97.743 ( -2.756 4.041 0.000) 4.891 98.881 ( 13.282 0.155 -0.000) 13.283 99.099 ( 3.046 -12.070 -0.000) 12.448 ======================= Grid point 132 (66/86) ======================= q-point: ( 0.19 0.81 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 4.191 -1.290 -0.000) 4.385 1.680 ( -7.667 -8.808 0.000) 11.677 1.866 ( 5.390 -0.391 -0.000) 5.404 2.108 ( -5.095 -5.220 0.000) 7.294 2.204 ( -0.203 3.201 0.000) 3.207 2.300 ( -0.513 -2.670 -0.000) 2.719 2.307 ( 4.744 1.157 -0.000) 4.884 2.399 ( 0.216 0.825 0.000) 0.853 2.540 ( 4.632 5.665 -0.000) 7.318 2.588 ( 3.011 7.611 0.000) 8.185 2.612 ( 0.799 0.708 -0.000) 1.067 2.777 ( -3.442 3.655 0.000) 5.020 3.045 ( -5.277 2.798 0.000) 5.973 3.047 ( 1.407 -3.056 -0.000) 3.365 3.316 ( -0.422 -0.418 0.000) 0.594 3.386 ( 1.904 -0.851 -0.000) 2.085 3.398 ( -2.280 8.606 0.000) 8.903 3.410 ( 5.571 4.874 -0.000) 7.402 3.614 ( 5.486 2.460 -0.000) 6.013 4.267 ( -1.890 -2.407 0.000) 3.060 4.854 ( -1.522 -6.414 -0.000) 6.592 5.016 ( 3.845 -4.977 -0.000) 6.290 6.517 ( -5.502 0.150 0.000) 5.504 6.582 ( -4.170 0.102 0.000) 4.171 6.616 ( 0.510 6.281 0.000) 6.302 6.706 ( -4.152 6.865 0.000) 8.023 7.177 ( 3.249 -3.922 -0.000) 5.093 7.303 ( -0.987 -3.617 -0.000) 3.749 9.374 ( -1.349 -0.822 0.000) 1.580 9.724 ( 5.211 5.258 -0.000) 7.403 10.897 ( 1.504 3.285 -0.000) 3.613 10.985 ( -4.049 1.110 0.000) 4.198 11.096 ( 2.383 -4.265 -0.000) 4.885 11.265 ( -0.190 -6.262 -0.000) 6.265 11.302 ( 4.915 -4.819 -0.000) 6.883 11.511 ( -2.738 -5.136 0.000) 5.820 12.419 ( 1.614 1.246 -0.000) 2.039 12.484 ( -0.110 0.622 0.000) 0.632 12.746 ( -1.816 1.279 0.000) 2.221 12.810 ( 3.648 7.616 -0.000) 8.445 12.835 ( -1.824 0.560 0.000) 1.908 12.848 ( -0.445 -0.667 0.000) 0.802 23.132 ( -5.904 -3.184 0.000) 6.708 23.337 ( 4.065 4.951 -0.000) 6.406 24.119 ( 0.694 -6.350 -0.000) 6.388 24.241 ( 6.753 -0.368 -0.000) 6.763 24.677 ( -4.911 -1.275 0.000) 5.073 24.752 ( -0.608 1.463 0.000) 1.584 27.946 ( -5.781 -2.864 0.000) 6.451 28.397 ( 6.943 10.644 -0.000) 12.708 28.669 ( 0.043 -1.337 -0.000) 1.338 28.672 ( 0.649 -4.962 -0.000) 5.004 28.935 ( 0.992 -6.409 -0.000) 6.485 29.063 ( 3.608 -3.351 -0.000) 4.925 29.935 ( -2.714 2.510 0.000) 3.697 29.940 ( 1.375 0.320 -0.000) 1.412 30.076 ( -3.012 5.677 0.000) 6.426 30.157 ( -2.596 0.805 0.000) 2.718 42.658 ( -1.762 -1.129 0.000) 2.093 42.775 ( 0.177 1.642 0.000) 1.652 43.133 ( 1.572 -2.617 -0.000) 3.052 43.274 ( 1.008 -0.818 -0.000) 1.298 43.284 ( -1.123 -1.366 0.000) 1.768 43.336 ( 1.189 1.363 -0.000) 1.808 50.250 ( 1.471 -1.586 -0.000) 2.163 50.255 ( 2.053 -1.603 -0.000) 2.605 50.545 ( -2.091 2.143 0.000) 2.994 50.549 ( -2.259 2.274 0.000) 3.206 85.634 ( 2.786 -0.852 -0.000) 2.913 85.741 ( 1.228 -2.537 -0.000) 2.819 85.961 ( 1.308 0.977 -0.000) 1.632 85.977 ( -4.845 -5.554 0.000) 7.370 87.039 ( -17.175 -6.605 0.000) 18.402 87.535 ( 24.479 20.072 -0.000) 31.656 95.195 ( 0.181 -2.614 -0.000) 2.620 95.252 ( 5.671 0.645 -0.000) 5.707 95.669 ( -11.202 3.961 0.000) 11.882 95.918 ( -3.098 15.399 0.000) 15.708 97.120 ( -1.666 3.781 0.000) 4.132 97.246 ( -5.385 -9.073 0.000) 10.551 97.524 ( 7.086 -3.762 -0.000) 8.023 97.750 ( -5.254 1.032 0.000) 5.355 98.886 ( 2.744 -12.923 -0.000) 13.211 99.077 ( 9.303 -3.777 -0.000) 10.040 ======================= Grid point 136 (67/86) ======================= q-point: ( 0.19 0.56 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -7.210 -3.640 9.030) 12.115 1.455 ( 8.598 -5.539 6.280) 12.002 1.914 ( 5.877 -5.539 9.396) 12.389 2.009 ( 3.636 1.953 3.343) 5.311 2.147 ( -5.531 -4.395 -4.513) 8.383 2.264 ( 0.770 -1.921 -4.128) 4.618 2.330 ( -3.274 -4.119 -1.719) 5.535 2.410 ( -3.081 0.729 -2.440) 3.997 2.510 ( 3.297 7.574 -3.741) 9.068 2.528 ( 5.305 -3.087 -4.697) 7.728 2.715 ( -7.229 -4.218 3.711) 9.155 2.913 ( 0.413 -2.655 0.842) 2.816 2.920 ( -4.207 0.542 1.495) 4.498 3.024 ( 2.456 -4.895 -0.110) 5.478 3.057 ( 7.090 -1.183 -4.231) 8.340 3.158 ( 3.233 -3.329 -2.417) 5.232 3.470 ( -9.733 -9.650 1.448) 13.782 3.610 ( 4.876 -11.091 1.138) 12.169 3.742 ( 3.132 1.119 -2.852) 4.381 3.990 ( 5.962 -7.451 0.009) 9.543 4.860 ( -0.600 4.776 3.151) 5.754 5.040 ( -2.160 7.943 -4.201) 9.241 6.548 ( 1.810 4.747 0.468) 5.102 6.651 ( 2.232 6.414 1.250) 6.905 6.757 ( -4.285 -0.243 1.962) 4.719 6.896 ( -4.521 -3.327 -5.993) 8.211 7.134 ( -2.235 9.224 4.713) 10.596 7.443 ( -2.391 7.123 -5.245) 9.163 9.438 ( 0.152 -2.836 2.311) 3.662 9.548 ( 1.382 -6.120 -3.688) 7.278 10.899 ( -2.307 1.287 0.650) 2.721 11.019 ( 0.679 -3.247 -0.484) 3.352 11.063 ( 0.970 3.434 0.348) 3.586 11.154 ( 2.640 -0.187 0.798) 2.764 11.237 ( -2.215 1.163 0.648) 2.585 11.493 ( 4.368 1.018 1.177) 4.637 12.425 ( -1.705 -1.944 0.708) 2.681 12.582 ( -2.570 -1.671 1.220) 3.300 12.620 ( 4.650 0.149 -1.451) 4.873 12.715 ( -0.024 -1.623 0.155) 1.631 12.839 ( 0.408 -2.248 -0.396) 2.319 12.946 ( -0.376 -3.716 -2.138) 4.303 23.081 ( 0.829 0.394 9.154) 9.200 23.469 ( -2.695 2.232 -8.750) 9.424 24.033 ( 3.628 0.776 -1.162) 3.888 24.145 ( -0.383 -5.435 -3.011) 6.225 24.746 ( -0.113 5.374 1.832) 5.679 24.803 ( -1.638 2.276 1.476) 3.169 27.984 ( -0.345 3.705 11.441) 12.031 28.323 ( -3.379 1.818 -6.964) 7.951 28.610 ( 4.484 -4.023 1.233) 6.149 28.727 ( 0.415 -2.646 -4.545) 5.275 28.815 ( 1.548 -2.225 1.505) 3.100 28.925 ( 3.239 -3.567 -3.132) 5.747 29.939 ( -1.294 -2.910 0.230) 3.193 29.960 ( 1.392 -1.033 -0.404) 1.780 30.191 ( -2.319 5.533 1.497) 6.184 30.269 ( -2.616 2.048 1.637) 3.704 42.680 ( -0.312 1.040 4.141) 4.281 42.795 ( -0.970 3.153 -1.692) 3.707 43.100 ( 0.466 -2.956 0.775) 3.091 43.193 ( 1.870 -1.177 -2.552) 3.376 43.274 ( 1.155 0.774 -0.193) 1.404 43.339 ( -0.562 -1.862 0.114) 1.948 50.168 ( 0.815 -1.559 0.811) 1.937 50.263 ( 0.450 -0.458 -3.965) 4.017 50.568 ( -1.028 1.313 3.701) 4.059 50.648 ( -1.311 2.221 -0.394) 2.609 85.578 ( -0.293 -3.522 0.408) 3.557 85.660 ( 2.364 -5.235 -0.625) 5.778 85.926 ( 0.949 3.498 1.583) 3.955 86.052 ( 0.662 -3.064 1.595) 3.517 86.658 ( 3.675 2.814 14.461) 15.183 87.792 ( -2.181 -16.402 -26.752) 31.455 95.100 ( 1.261 -2.309 1.471) 3.014 95.179 ( 0.879 -3.978 -1.490) 4.338 96.133 ( -4.389 18.366 -1.908) 18.979 96.348 ( -19.760 10.376 0.999) 22.341 97.161 ( 4.783 3.757 1.856) 6.359 97.237 ( 6.579 -2.189 -1.024) 7.009 97.402 ( -8.442 6.832 5.458) 12.155 97.814 ( 2.548 2.908 -2.277) 4.487 98.472 ( 10.453 -10.693 7.140) 16.571 98.789 ( 6.073 -13.715 -5.974) 16.145 ======================= Grid point 137 (68/86) ======================= q-point: ( 0.19 -0.19 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 1.666 -0.128 -0.000) 1.671 1.482 ( 1.446 2.439 -0.000) 2.836 1.650 ( -18.826 -3.819 0.000) 19.210 2.063 ( 7.359 -8.748 -0.000) 11.431 2.190 ( -6.633 0.060 0.000) 6.633 2.235 ( 6.044 -3.376 -0.000) 6.923 2.405 ( -0.846 1.983 0.000) 2.156 2.424 ( 0.375 1.381 0.000) 1.430 2.625 ( 0.202 0.864 0.000) 0.887 2.718 ( 1.626 7.297 0.000) 7.476 2.797 ( 2.403 4.469 -0.000) 5.074 2.921 ( 3.377 6.767 -0.000) 7.563 2.982 ( 2.345 -4.527 -0.000) 5.098 3.112 ( 2.735 2.823 -0.000) 3.930 3.204 ( -8.515 2.930 0.000) 9.005 3.298 ( -8.490 7.343 0.000) 11.225 3.669 ( 0.020 0.017 -0.000) 0.026 3.710 ( 3.042 0.251 -0.000) 3.052 3.854 ( 14.231 9.959 -0.000) 17.370 4.165 ( -3.945 -0.094 0.000) 3.946 4.631 ( -1.802 -6.904 -0.000) 7.136 4.916 ( 1.065 -7.932 -0.000) 8.003 6.446 ( -0.758 0.457 0.000) 0.885 6.503 ( -1.817 -1.236 0.000) 2.198 6.753 ( -3.643 6.070 0.000) 7.079 6.756 ( -0.128 4.337 0.000) 4.339 7.121 ( 2.281 -5.637 -0.000) 6.081 7.227 ( 6.235 -4.054 -0.000) 7.437 9.392 ( 0.041 2.656 0.000) 2.657 9.937 ( 4.218 3.853 -0.000) 5.713 10.920 ( -3.225 0.790 0.000) 3.320 10.999 ( 1.236 3.627 0.000) 3.831 11.068 ( -0.715 0.559 0.000) 0.907 11.119 ( -1.734 -4.534 -0.000) 4.854 11.254 ( 2.880 -7.113 -0.000) 7.674 11.314 ( -3.307 -7.143 0.000) 7.871 12.484 ( 0.158 1.339 0.000) 1.349 12.512 ( 0.964 0.523 -0.000) 1.097 12.745 ( -0.676 0.496 0.000) 0.838 12.827 ( 0.248 -0.679 -0.000) 0.723 12.833 ( -1.558 2.277 0.000) 2.759 13.022 ( 2.019 5.481 0.000) 5.841 22.969 ( -5.567 -1.418 0.000) 5.745 23.506 ( 4.776 2.981 -0.000) 5.630 24.025 ( 1.146 -4.431 -0.000) 4.577 24.373 ( 6.932 -0.203 -0.000) 6.935 24.548 ( -4.755 -0.862 0.000) 4.832 24.727 ( -1.383 -0.729 0.000) 1.563 27.766 ( -7.495 -1.456 0.000) 7.635 28.513 ( -1.449 -8.517 -0.000) 8.640 28.682 ( 0.979 1.024 -0.000) 1.417 28.770 ( 8.134 10.527 -0.000) 13.303 28.843 ( 0.114 -3.624 -0.000) 3.626 29.052 ( 3.577 -4.202 -0.000) 5.518 29.905 ( -5.025 1.682 0.000) 5.299 29.994 ( 1.507 0.571 -0.000) 1.612 30.128 ( -0.824 -0.103 0.000) 0.830 30.130 ( -2.463 4.836 0.000) 5.427 42.598 ( -2.125 -0.717 0.000) 2.243 42.787 ( 0.179 -0.184 -0.000) 0.256 43.146 ( 2.149 -0.247 -0.000) 2.164 43.193 ( -2.266 -1.899 0.000) 2.956 43.308 ( 1.487 -0.348 -0.000) 1.527 43.363 ( -0.463 0.560 0.000) 0.727 50.248 ( 0.702 -0.831 -0.000) 1.088 50.276 ( 2.435 -0.871 -0.000) 2.586 50.543 ( -1.931 1.319 0.000) 2.339 50.548 ( -1.100 1.330 0.000) 1.726 85.682 ( -4.149 -1.973 0.000) 4.594 85.738 ( 2.556 4.937 -0.000) 5.559 85.800 ( -1.356 -3.500 -0.000) 3.754 85.993 ( 2.434 -1.106 -0.000) 2.673 86.613 ( -15.896 -3.334 0.000) 16.242 88.465 ( 27.804 15.524 -0.000) 31.845 95.153 ( -1.192 -1.036 0.000) 1.579 95.391 ( 0.310 1.232 0.000) 1.271 95.614 ( 3.899 4.079 -0.000) 5.643 96.232 ( 2.055 16.090 0.000) 16.221 96.989 ( -5.358 -4.745 0.000) 7.157 97.166 ( -3.195 6.217 0.000) 6.990 97.425 ( 4.491 -15.806 -0.000) 16.432 97.532 ( -8.284 -7.439 0.000) 11.134 98.732 ( -0.139 -5.839 -0.000) 5.841 99.134 ( 2.610 -2.070 -0.000) 3.332 ======================= Grid point 140 (69/86) ======================= q-point: ( 0.19 0.56 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -0.840 3.191 7.819) 8.487 1.543 ( 11.089 -4.015 8.975) 14.820 1.796 ( -6.492 -3.681 -1.437) 7.601 1.897 ( 4.533 -1.918 6.812) 8.404 2.231 ( 1.035 -0.647 -5.653) 5.783 2.308 ( 6.445 2.058 -2.391) 7.176 2.362 ( 2.023 -0.132 -0.982) 2.253 2.443 ( -10.797 -0.126 -0.751) 10.824 2.548 ( 6.175 -4.222 -2.750) 7.969 2.580 ( 5.392 8.766 2.616) 10.619 2.646 ( 1.458 1.264 -2.502) 3.159 2.866 ( 0.042 -1.489 -1.645) 2.219 2.909 ( 1.692 0.066 -0.663) 1.818 2.991 ( 4.500 -5.501 -0.629) 7.135 3.169 ( 3.118 -5.348 2.040) 6.518 3.253 ( 5.230 4.911 -0.833) 7.222 3.328 ( 6.982 1.807 -0.859) 7.263 3.530 ( 5.041 -2.244 -1.515) 5.722 3.822 ( 0.153 2.205 -0.858) 2.371 3.960 ( 9.596 -9.169 -0.439) 13.280 4.886 ( -3.743 0.797 3.666) 5.299 5.034 ( -7.812 1.957 -4.362) 9.159 6.615 ( -4.063 -3.031 0.501) 5.094 6.620 ( -5.625 -1.919 0.301) 5.951 6.742 ( 1.139 4.907 1.505) 5.257 6.871 ( -0.273 4.624 -2.423) 5.228 7.175 ( -5.716 2.465 4.629) 7.757 7.419 ( -8.545 2.272 -6.771) 11.137 9.387 ( 0.424 -0.121 -0.318) 0.543 9.606 ( 9.115 -1.449 -0.851) 9.269 10.921 ( 0.445 2.243 2.090) 3.098 10.993 ( 1.129 -0.550 -0.769) 1.472 11.131 ( 0.960 -3.270 0.330) 3.424 11.162 ( -0.105 -4.407 -0.809) 4.482 11.195 ( -3.777 7.449 1.198) 8.437 11.445 ( -3.215 -5.587 0.779) 6.493 12.412 ( 1.480 1.586 0.537) 2.235 12.522 ( -0.510 -0.084 -1.171) 1.281 12.683 ( 1.923 -1.996 2.851) 3.976 12.779 ( 4.787 -0.551 0.076) 4.819 12.829 ( 1.278 0.551 -0.741) 1.577 12.911 ( 2.470 0.141 -3.359) 4.172 23.077 ( -0.668 -0.793 8.883) 8.944 23.471 ( -2.075 2.670 -8.556) 9.200 24.032 ( -0.746 -3.649 -1.351) 3.962 24.145 ( 5.341 0.415 -2.758) 6.025 24.751 ( -5.329 -0.091 1.637) 5.575 24.798 ( -2.232 1.819 1.684) 3.336 27.970 ( -4.394 0.478 8.683) 9.743 28.393 ( 3.262 4.561 3.527) 6.624 28.584 ( 1.495 -6.418 -5.390) 8.513 28.732 ( 2.156 1.469 -5.877) 6.430 28.794 ( 2.057 -2.812 -1.054) 3.640 28.916 ( 2.667 -3.253 -0.036) 4.207 29.910 ( 1.504 0.281 0.189) 1.542 29.984 ( 2.151 -0.327 -0.739) 2.298 30.221 ( -4.101 0.586 1.965) 4.585 30.238 ( -3.513 4.317 1.152) 5.683 42.668 ( -1.749 0.341 3.298) 3.749 42.819 ( -2.126 1.069 -0.424) 2.417 43.067 ( 1.745 -0.940 -0.644) 2.084 43.226 ( 2.711 -1.364 -2.059) 3.667 43.274 ( -1.158 -1.674 0.383) 2.071 43.328 ( 1.671 0.913 0.093) 1.906 50.168 ( 1.536 -0.810 0.799) 1.912 50.262 ( 0.410 -0.444 -3.973) 4.019 50.569 ( -1.280 1.022 3.700) 4.047 50.649 ( -2.190 1.307 -0.381) 2.579 85.572 ( 3.511 0.357 -0.464) 3.560 85.650 ( 3.965 -2.171 -0.861) 4.602 85.910 ( -2.616 -2.408 4.256) 5.546 86.017 ( -0.948 0.805 -0.784) 1.470 86.803 ( 4.013 -4.254 17.710) 18.651 87.714 ( 13.994 2.491 -29.095) 32.381 95.103 ( 2.571 -1.358 1.615) 3.326 95.172 ( 3.353 -0.735 -1.625) 3.798 96.102 ( -19.117 5.841 -1.565) 20.051 96.382 ( -8.775 17.914 0.194) 19.949 97.157 ( -2.776 -5.374 1.845) 6.324 97.278 ( 2.698 -5.323 0.047) 5.968 97.390 ( -7.821 8.868 4.108) 12.517 97.819 ( -4.167 -3.060 -1.298) 5.330 98.425 ( 11.699 -10.612 5.933) 16.873 98.808 ( 12.989 -6.133 -5.122) 15.250 ======================= Grid point 141 (70/86) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -5.167 4.497 0.000) 6.849 1.584 ( -17.978 -3.381 0.000) 18.293 1.627 ( 4.901 10.394 -0.000) 11.491 1.853 ( 5.616 -9.128 -0.000) 10.717 2.165 ( -8.980 -2.436 0.000) 9.304 2.240 ( 5.853 2.445 -0.000) 6.343 2.432 ( 1.307 -0.524 -0.000) 1.408 2.438 ( 0.775 1.232 -0.000) 1.456 2.620 ( 1.589 -2.540 -0.000) 2.997 2.815 ( 3.560 2.032 -0.000) 4.099 2.846 ( 1.750 0.735 -0.000) 1.898 2.894 ( -0.153 -0.104 0.000) 0.185 3.073 ( 3.223 6.338 -0.000) 7.111 3.118 ( 6.641 -1.204 -0.000) 6.750 3.235 ( -3.149 -1.440 0.000) 3.463 3.426 ( 0.792 1.306 -0.000) 1.528 3.613 ( -6.593 -9.006 0.000) 11.161 3.642 ( -12.734 0.329 0.000) 12.738 4.095 ( 4.569 -6.682 -0.000) 8.095 4.099 ( 12.881 12.384 -0.000) 17.869 4.617 ( -1.575 5.145 0.000) 5.380 4.773 ( -0.251 -5.629 -0.000) 5.634 6.467 ( 0.492 1.653 0.000) 1.725 6.477 ( -0.464 -1.181 -0.000) 1.269 6.771 ( -6.594 -3.513 0.000) 7.472 6.826 ( -3.023 -0.917 0.000) 3.159 7.062 ( -0.237 1.798 0.000) 1.813 7.177 ( 12.713 -0.104 -0.000) 12.714 9.456 ( -0.503 3.318 0.000) 3.356 9.921 ( 5.783 -5.130 -0.000) 7.731 10.920 ( -3.378 -3.261 0.000) 4.695 11.023 ( -0.388 -1.543 -0.000) 1.591 11.091 ( 2.534 2.914 -0.000) 3.862 11.106 ( 1.521 2.857 -0.000) 3.236 11.175 ( -3.189 -5.447 0.000) 6.312 11.238 ( -3.364 6.615 0.000) 7.421 12.507 ( -1.019 0.834 0.000) 1.317 12.529 ( 0.897 1.119 -0.000) 1.434 12.710 ( 0.138 -2.923 -0.000) 2.926 12.803 ( 1.049 -1.695 -0.000) 1.994 12.891 ( -1.336 2.263 0.000) 2.628 13.079 ( 1.553 0.163 -0.000) 1.561 22.958 ( -5.646 0.318 0.000) 5.655 23.537 ( 5.005 -0.133 -0.000) 5.007 23.978 ( 0.857 0.062 -0.000) 0.859 24.373 ( 6.944 0.149 -0.000) 6.946 24.537 ( -4.460 -0.180 0.000) 4.464 24.716 ( -1.516 -0.161 0.000) 1.524 27.760 ( -8.342 0.800 0.000) 8.380 28.339 ( -0.235 -7.712 -0.000) 7.715 28.715 ( 0.711 1.690 0.000) 1.834 28.801 ( 0.225 0.103 -0.000) 0.247 28.943 ( 7.962 1.201 -0.000) 8.052 28.998 ( 3.999 3.797 -0.000) 5.514 29.923 ( -5.672 -0.042 0.000) 5.673 29.993 ( 0.524 -0.736 -0.000) 0.904 30.116 ( -0.073 -1.094 -0.000) 1.097 30.203 ( -2.301 2.169 0.000) 3.162 42.595 ( -2.601 0.403 0.000) 2.632 42.774 ( 0.582 -0.929 -0.000) 1.096 43.161 ( 1.733 1.633 -0.000) 2.381 43.169 ( -1.858 -0.278 0.000) 1.879 43.295 ( 1.699 -0.904 -0.000) 1.925 43.368 ( -0.795 -0.100 0.000) 0.801 50.240 ( 0.644 0.069 -0.000) 0.647 50.267 ( 2.477 0.076 -0.000) 2.478 50.556 ( -1.923 -0.106 0.000) 1.926 50.562 ( -1.062 -0.016 0.000) 1.062 85.668 ( -4.804 0.440 0.000) 4.824 85.749 ( -0.712 -1.339 0.000) 1.517 85.871 ( 5.336 6.846 -0.000) 8.680 85.971 ( -0.789 -0.245 0.000) 0.826 86.538 ( -12.903 -3.898 0.000) 13.479 88.608 ( 27.139 -2.052 -0.000) 27.217 95.141 ( -1.032 -0.141 0.000) 1.042 95.406 ( -0.823 0.152 0.000) 0.837 95.682 ( 6.179 2.165 -0.000) 6.547 96.420 ( 1.470 -2.497 -0.000) 2.897 96.932 ( -5.053 -1.027 0.000) 5.156 97.188 ( 3.426 -1.812 -0.000) 3.875 97.344 ( -6.948 -9.528 0.000) 11.792 97.376 ( -6.097 13.722 0.000) 15.015 98.647 ( 0.334 -2.582 -0.000) 2.603 99.133 ( 2.758 1.861 -0.000) 3.328 ======================= Grid point 143 (71/86) ======================= q-point: ( 0.25 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 0.000 21.300) 21.300 0.842 ( 0.000 0.000 21.300) 21.300 1.109 ( 0.000 0.000 28.357) 28.357 2.175 ( -0.000 -0.000 -10.524) 10.524 2.175 ( -0.000 -0.000 -10.524) 10.524 2.261 ( -0.000 -0.000 -1.424) 1.424 2.368 ( -0.000 -0.000 -2.119) 2.119 2.464 ( -0.000 -0.000 -4.582) 4.582 2.599 ( -0.000 -0.000 -3.810) 3.810 2.599 ( -0.000 -0.000 -3.810) 3.810 2.694 ( 0.000 0.000 1.580) 1.580 2.694 ( 0.000 0.000 1.580) 1.580 2.911 ( 0.000 0.000 2.256) 2.256 3.010 ( -0.000 -0.000 -2.959) 2.959 3.010 ( -0.000 -0.000 -2.959) 2.959 3.149 ( -0.000 -0.000 -2.217) 2.217 3.399 ( -0.000 -0.000 -3.331) 3.331 3.487 ( 0.000 0.000 4.890) 4.890 3.487 ( 0.000 0.000 4.890) 4.890 3.496 ( -0.000 -0.000 -3.488) 3.488 4.931 ( 0.000 0.000 4.159) 4.159 5.423 ( -0.000 -0.000 -7.311) 7.311 6.658 ( -0.000 -0.000 -0.181) 0.181 6.658 ( -0.000 -0.000 -0.181) 0.181 6.786 ( 0.000 0.000 1.644) 1.644 6.786 ( 0.000 0.000 1.644) 1.644 7.291 ( 0.000 0.000 6.843) 6.843 7.787 ( -0.000 -0.000 -4.589) 4.589 9.342 ( 0.000 0.000 0.694) 0.694 9.362 ( 0.000 0.000 0.344) 0.344 10.911 ( 0.000 0.000 0.055) 0.055 10.911 ( 0.000 0.000 0.055) 0.055 11.140 ( -0.000 -0.000 -0.005) 0.005 11.140 ( -0.000 -0.000 -0.005) 0.005 11.385 ( 0.000 0.000 2.349) 2.349 11.598 ( -0.000 -0.000 -2.130) 2.130 12.400 ( -0.000 -0.000 -0.061) 0.061 12.400 ( -0.000 -0.000 -0.061) 0.061 12.509 ( 0.000 0.000 4.065) 4.065 12.747 ( -0.000 -0.000 -1.081) 1.081 12.837 ( -0.000 -0.000 -3.743) 3.743 12.837 ( -0.000 -0.000 -3.743) 3.743 22.877 ( 0.000 0.000 9.016) 9.016 23.831 ( -0.000 -0.000 -12.211) 12.211 24.044 ( -0.000 -0.000 -1.721) 1.721 24.044 ( -0.000 -0.000 -1.721) 1.721 24.843 ( 0.000 0.000 3.385) 3.385 24.843 ( 0.000 0.000 3.385) 3.385 27.918 ( 0.000 0.000 12.048) 12.048 28.372 ( -0.000 -0.000 -0.528) 0.528 28.372 ( -0.000 -0.000 -0.528) 0.528 28.776 ( 0.000 0.000 1.184) 1.184 28.776 ( 0.000 0.000 1.184) 1.184 28.861 ( -0.000 -0.000 -9.250) 9.250 29.807 ( 0.000 0.000 1.420) 1.420 29.942 ( -0.000 -0.000 -2.460) 2.460 30.241 ( 0.000 0.000 3.775) 3.775 30.485 ( -0.000 -0.000 -2.784) 2.784 42.609 ( 0.000 0.000 5.837) 5.837 43.031 ( -0.000 -0.000 -0.903) 0.903 43.031 ( -0.000 -0.000 -0.903) 0.903 43.144 ( -0.000 -0.000 -5.607) 5.607 43.266 ( 0.000 0.000 0.761) 0.761 43.266 ( 0.000 0.000 0.761) 0.761 50.136 ( -0.000 -0.000 -1.323) 1.323 50.350 ( -0.000 -0.000 -5.830) 5.830 50.516 ( 0.000 0.000 5.787) 5.787 50.698 ( 0.000 0.000 1.822) 1.822 85.540 ( -0.000 -0.000 -3.859) 3.859 85.540 ( -0.000 -0.000 -3.859) 3.859 85.927 ( 0.000 0.000 4.392) 4.392 85.927 ( 0.000 0.000 4.392) 4.392 86.460 ( 0.000 0.000 8.798) 8.798 87.324 ( -0.000 -0.000 -9.818) 9.818 94.998 ( 0.000 0.000 1.643) 1.643 95.127 ( -0.000 -0.000 -1.258) 1.258 97.034 ( -0.000 -0.000 -1.332) 1.332 97.034 ( -0.000 -0.000 -1.332) 1.332 97.189 ( 0.000 0.000 1.657) 1.657 97.189 ( 0.000 0.000 1.657) 1.657 97.381 ( 0.000 0.000 1.323) 1.323 97.434 ( 0.000 0.000 0.182) 0.182 98.239 ( 0.000 0.000 1.026) 1.026 98.386 ( -0.000 -0.000 -2.067) 2.067 ======================= Grid point 144 (72/86) ======================= q-point: ( 0.25 0.50 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 2.549 6.426 8.790) 11.183 1.441 ( 8.484 -6.774 11.001) 15.456 1.787 ( -1.893 4.145 4.972) 6.744 1.925 ( 1.513 3.376 3.068) 4.806 2.241 ( 0.656 1.165 -4.217) 4.424 2.299 ( 6.763 -5.392 -1.305) 8.748 2.377 ( 8.570 2.081 -3.773) 9.592 2.430 ( 3.545 -2.869 -2.855) 5.381 2.463 ( -5.737 1.109 -6.097) 8.445 2.542 ( -1.496 -6.705 -2.773) 7.409 2.758 ( 1.538 2.402 3.022) 4.156 2.862 ( 6.890 4.742 -0.610) 8.386 2.930 ( -0.905 -0.669 -0.046) 1.126 2.968 ( 0.725 3.581 -1.271) 3.869 3.074 ( 7.257 -3.974 0.261) 8.278 3.213 ( 4.968 -9.179 0.050) 10.437 3.425 ( 10.938 10.965 0.972) 15.518 3.616 ( 6.187 7.504 -2.145) 9.959 3.686 ( 8.323 -10.973 2.014) 13.919 3.927 ( 5.485 1.891 -2.437) 6.293 4.883 ( -6.333 -1.091 3.440) 7.289 5.059 ( -9.579 0.328 -4.629) 10.644 6.545 ( -3.775 -1.879 0.184) 4.220 6.614 ( -6.405 0.774 0.723) 6.492 6.799 ( 1.963 0.380 2.423) 3.142 6.934 ( 2.440 0.932 -4.784) 5.450 7.183 ( -10.149 -1.633 5.813) 11.809 7.458 ( -10.364 0.979 -7.466) 12.810 9.407 ( 2.105 1.896 0.534) 2.883 9.567 ( 9.661 -2.151 -1.740) 10.050 10.943 ( 0.878 -0.956 1.876) 2.281 10.997 ( 3.295 0.930 -0.492) 3.459 11.081 ( -1.927 -2.374 -0.134) 3.060 11.106 ( -1.805 0.631 -0.744) 2.051 11.318 ( -4.070 -3.668 1.689) 5.733 11.367 ( -4.650 6.155 1.031) 7.783 12.445 ( 1.109 0.597 1.611) 2.045 12.534 ( 2.809 2.115 -2.227) 4.162 12.640 ( 1.453 -2.288 2.614) 3.766 12.739 ( 3.007 -2.136 -0.662) 3.747 12.838 ( 1.980 -0.104 -0.277) 2.002 12.932 ( 5.610 1.444 -3.061) 6.552 23.070 ( -0.854 0.146 9.043) 9.084 23.500 ( -2.060 -0.084 -9.013) 9.246 23.993 ( -0.962 0.050 -0.870) 1.298 24.150 ( 5.297 -0.024 -2.954) 6.065 24.748 ( -6.069 -0.165 1.772) 6.324 24.818 ( -3.223 0.142 1.600) 3.601 27.981 ( -5.197 0.510 9.987) 11.270 28.436 ( 0.087 -7.318 -6.594) 9.851 28.498 ( 4.333 5.842 5.143) 8.908 28.728 ( 3.285 -0.886 -5.053) 6.092 28.803 ( 0.838 1.328 -0.400) 1.621 28.876 ( 3.512 0.289 -3.058) 4.666 29.929 ( 2.336 1.429 -0.028) 2.739 29.967 ( 3.035 -1.273 -0.243) 3.300 30.221 ( -4.837 -0.665 1.870) 5.228 30.291 ( -3.200 0.739 1.036) 3.444 42.677 ( -1.983 0.470 4.221) 4.688 42.817 ( -3.156 -0.964 -1.396) 3.583 43.078 ( 2.110 1.518 0.435) 2.635 43.189 ( 2.213 -1.517 -2.679) 3.792 43.260 ( -0.374 0.165 -0.082) 0.417 43.341 ( 1.827 0.300 0.148) 1.857 50.160 ( 1.486 0.007 0.851) 1.713 50.258 ( 0.305 0.023 -4.073) 4.085 50.579 ( -1.230 -0.012 3.799) 3.993 50.662 ( -2.197 -0.016 -0.404) 2.233 85.590 ( 3.797 0.197 0.947) 3.918 85.622 ( 5.807 0.329 -1.726) 6.067 85.897 ( -4.014 1.182 2.703) 4.982 86.035 ( 0.938 0.818 0.424) 1.315 86.685 ( 0.292 -5.438 14.708) 15.684 87.780 ( 22.312 2.914 -26.819) 35.008 95.089 ( 2.519 -0.068 1.553) 2.959 95.167 ( 4.089 0.218 -1.571) 4.386 96.174 ( -20.112 0.796 -1.918) 20.219 96.626 ( -13.879 -0.436 3.796) 14.395 97.069 ( 2.283 -1.085 -0.707) 2.625 97.151 ( -2.533 -0.713 -1.826) 3.203 97.546 ( -3.839 -0.230 6.241) 7.331 97.750 ( -10.449 0.372 -1.968) 10.639 98.332 ( 12.773 1.848 5.838) 14.165 98.731 ( 15.610 -0.732 -4.799) 16.347 ======================= Grid point 159 (73/86) ======================= q-point: (-0.75 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -4.577 -9.153 -0.000) 10.234 1.768 ( 4.577 9.153 0.000) 10.234 1.992 ( -2.615 -5.231 0.000) 5.848 1.992 ( 2.615 5.231 -0.000) 5.848 2.153 ( -2.030 -4.059 0.000) 4.538 2.153 ( 2.030 4.059 0.000) 4.538 2.214 ( -1.584 -3.167 -0.000) 3.541 2.214 ( 1.584 3.167 -0.000) 3.541 2.539 ( -0.801 -1.603 -0.000) 1.792 2.539 ( 0.802 1.603 -0.000) 1.792 2.547 ( -0.528 -1.056 0.000) 1.180 2.547 ( 0.528 1.056 0.000) 1.180 2.919 ( -0.254 -0.508 0.000) 0.567 2.919 ( 0.254 0.508 0.000) 0.567 3.087 ( -3.031 -6.062 -0.000) 6.777 3.087 ( 3.031 6.062 0.000) 6.777 3.629 ( -3.349 -6.698 0.000) 7.488 3.629 ( 3.349 6.698 0.000) 7.488 3.859 ( -2.820 -5.639 0.000) 6.305 3.859 ( 2.820 5.639 0.000) 6.305 5.179 ( -1.097 -2.195 0.000) 2.454 5.179 ( 1.097 2.195 0.000) 2.454 6.451 ( -0.609 -1.219 0.000) 1.363 6.451 ( 0.609 1.219 0.000) 1.363 6.537 ( -0.533 -1.066 -0.000) 1.192 6.537 ( 0.533 1.066 -0.000) 1.192 7.363 ( -0.396 -0.791 0.000) 0.885 7.363 ( 0.396 0.791 0.000) 0.885 9.489 ( -1.866 -3.732 0.000) 4.172 9.489 ( 1.866 3.732 0.000) 4.172 10.887 ( -1.016 -2.032 0.000) 2.272 10.887 ( 1.016 2.032 0.000) 2.272 11.447 ( -1.970 -3.939 0.000) 4.404 11.447 ( 1.970 3.939 0.000) 4.404 11.466 ( -1.285 -2.569 0.000) 2.872 11.466 ( 1.285 2.569 0.000) 2.872 12.466 ( -0.731 -1.462 -0.000) 1.634 12.466 ( 0.731 1.462 -0.000) 1.634 12.556 ( -0.653 -1.306 0.000) 1.460 12.556 ( 0.653 1.306 0.000) 1.460 12.850 ( -0.444 -0.889 0.000) 0.994 12.850 ( 0.444 0.889 0.000) 0.994 23.201 ( -2.396 -4.791 0.000) 5.357 23.201 ( 2.396 4.791 0.000) 5.357 24.377 ( -1.393 -2.786 0.000) 3.115 24.377 ( 1.393 2.786 0.000) 3.115 24.637 ( -1.343 -2.686 -0.000) 3.003 24.637 ( 1.343 2.686 0.000) 3.003 28.088 ( -2.958 -5.916 0.000) 6.615 28.088 ( 2.958 5.916 0.000) 6.615 28.826 ( -1.267 -2.535 0.000) 2.834 28.826 ( 1.267 2.535 -0.000) 2.834 29.050 ( -0.693 -1.386 0.000) 1.550 29.050 ( 0.693 1.386 0.000) 1.550 29.895 ( -0.633 -1.266 0.000) 1.415 29.895 ( 0.633 1.266 0.000) 1.415 30.008 ( -0.723 -1.445 0.000) 1.616 30.008 ( 0.723 1.445 -0.000) 1.616 42.709 ( -0.735 -1.470 0.000) 1.643 42.709 ( 0.735 1.470 0.000) 1.643 43.256 ( -0.653 -1.307 0.000) 1.461 43.256 ( 0.653 1.307 0.000) 1.461 43.310 ( -0.289 -0.577 0.000) 0.645 43.310 ( 0.289 0.577 0.000) 0.645 50.365 ( -0.670 -1.340 0.000) 1.498 50.365 ( 0.670 1.340 0.000) 1.498 50.415 ( -0.507 -1.014 0.000) 1.134 50.415 ( 0.507 1.014 0.000) 1.134 85.800 ( -0.733 -1.466 0.000) 1.639 85.800 ( 0.733 1.466 0.000) 1.639 85.987 ( -2.376 -4.752 0.000) 5.313 85.987 ( 2.376 4.752 0.000) 5.313 87.078 ( -8.161 -16.321 0.000) 18.248 87.078 ( 8.161 16.321 0.000) 18.248 95.269 ( -1.116 -2.233 0.000) 2.497 95.269 ( 1.116 2.233 0.000) 2.497 95.530 ( -1.400 -2.800 0.000) 3.130 95.530 ( 1.400 2.800 0.000) 3.130 97.344 ( -3.406 -6.813 0.000) 7.617 97.344 ( 3.406 6.813 0.000) 7.617 97.549 ( -1.818 -3.636 -0.000) 4.065 97.549 ( 1.818 3.636 0.000) 4.065 99.242 ( -2.228 -4.456 0.000) 4.982 99.242 ( 2.228 4.456 -0.000) 4.982 ======================= Grid point 164 (74/86) ======================= q-point: (-0.75 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -11.011 -3.990 0.000) 11.712 1.563 ( 9.840 -1.584 -0.000) 9.967 1.870 ( 11.207 6.774 -0.000) 13.096 2.021 ( 2.450 9.378 0.000) 9.693 2.236 ( 0.207 -0.097 -0.000) 0.228 2.278 ( 0.150 4.283 0.000) 4.286 2.327 ( -1.911 -4.840 -0.000) 5.204 2.368 ( -4.562 -3.977 0.000) 6.052 2.514 ( -0.137 -0.778 -0.000) 0.790 2.557 ( -4.418 -14.045 -0.000) 14.723 2.887 ( 1.703 2.541 -0.000) 3.059 2.933 ( -8.077 -9.557 0.000) 12.513 2.938 ( -2.953 -3.162 0.000) 4.327 3.015 ( 3.262 0.291 -0.000) 3.275 3.158 ( 2.786 -3.262 -0.000) 4.290 3.279 ( -1.377 -7.250 -0.000) 7.379 3.595 ( -7.202 8.206 0.000) 10.918 3.719 ( -9.838 -11.420 0.000) 15.073 3.758 ( -4.258 -1.223 0.000) 4.430 4.138 ( 13.828 -8.794 -0.000) 16.387 4.812 ( 6.253 2.502 -0.000) 6.735 4.834 ( -0.723 8.291 0.000) 8.322 6.477 ( 0.093 2.362 0.000) 2.364 6.541 ( 2.618 4.477 -0.000) 5.186 6.762 ( -6.325 1.797 0.000) 6.576 6.830 ( -9.774 8.278 0.000) 12.808 7.060 ( 5.760 -3.348 -0.000) 6.663 7.267 ( 4.170 6.014 -0.000) 7.319 9.519 ( 3.213 -0.510 -0.000) 3.253 9.632 ( -6.641 -7.880 0.000) 10.305 10.865 ( -4.272 2.331 0.000) 4.867 11.005 ( -0.758 1.890 0.000) 2.036 11.080 ( 0.468 -2.611 -0.000) 2.653 11.193 ( 7.110 -1.529 -0.000) 7.272 11.211 ( 1.225 1.279 -0.000) 1.771 11.471 ( 7.192 2.469 -0.000) 7.604 12.492 ( -1.319 -3.259 -0.000) 3.516 12.557 ( 1.091 1.854 -0.000) 2.151 12.629 ( -2.933 -0.938 0.000) 3.079 12.749 ( -0.832 -0.842 0.000) 1.184 12.894 ( -0.217 -2.053 -0.000) 2.064 12.992 ( -2.954 -2.857 0.000) 4.110 23.100 ( 1.884 6.015 0.000) 6.303 23.410 ( -3.287 -4.111 0.000) 5.263 24.015 ( 3.926 -0.064 -0.000) 3.926 24.238 ( 0.072 -6.633 -0.000) 6.634 24.649 ( 0.861 5.652 0.000) 5.717 24.764 ( -0.105 2.533 0.000) 2.536 27.980 ( 3.439 9.094 0.000) 9.722 28.198 ( -5.899 -0.786 0.000) 5.951 28.693 ( 0.431 -2.603 -0.000) 2.639 28.789 ( -2.025 -5.164 -0.000) 5.547 28.879 ( 5.682 0.650 -0.000) 5.719 28.973 ( 4.400 -7.335 -0.000) 8.553 29.968 ( -0.735 -0.176 0.000) 0.756 29.981 ( -1.447 0.273 0.000) 1.472 30.098 ( -2.706 3.583 0.000) 4.490 30.248 ( -1.602 1.676 0.000) 2.318 42.679 ( 1.362 3.588 0.000) 3.838 42.739 ( -1.558 -0.413 0.000) 1.612 43.181 ( 3.000 -1.127 -0.000) 3.205 43.182 ( -0.047 -2.166 -0.000) 2.166 43.253 ( 0.151 0.446 0.000) 0.471 43.365 ( -0.651 -0.484 0.000) 0.811 50.230 ( 0.760 -1.252 -0.000) 1.465 50.231 ( 0.907 -2.082 -0.000) 2.271 50.580 ( -1.200 1.972 0.000) 2.308 50.583 ( -1.411 2.245 0.000) 2.651 85.661 ( -0.643 -3.357 -0.000) 3.418 85.777 ( 1.187 -6.586 -0.000) 6.692 85.848 ( 1.894 5.277 0.000) 5.607 86.082 ( 3.441 0.447 -0.000) 3.470 86.687 ( 0.731 8.837 0.000) 8.867 87.940 ( -11.425 -22.304 0.000) 25.060 95.147 ( 0.948 -0.961 -0.000) 1.349 95.288 ( -0.017 -7.774 -0.000) 7.774 95.792 ( -2.307 12.645 0.000) 12.854 96.204 ( -18.533 5.200 0.000) 19.249 97.059 ( 1.391 6.636 0.000) 6.780 97.284 ( 11.972 -3.263 -0.000) 12.409 97.320 ( -4.826 5.890 0.000) 7.615 97.730 ( 5.466 4.196 -0.000) 6.891 98.644 ( 8.554 -2.421 -0.000) 8.890 99.030 ( 3.321 -12.661 -0.000) 13.089 ======================= Grid point 169 (75/86) ======================= q-point: ( 0.25 0.75 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -4.779 0.274 0.000) 4.787 1.692 ( 9.395 -2.840 -0.000) 9.815 1.851 ( -9.274 -9.624 0.000) 13.365 2.159 ( 3.954 -1.722 -0.000) 4.312 2.161 ( -0.661 -7.453 -0.000) 7.482 2.274 ( -1.384 -0.161 0.000) 1.394 2.289 ( 8.975 7.750 -0.000) 11.858 2.391 ( 1.435 6.692 0.000) 6.844 2.515 ( -10.739 -4.668 0.000) 11.710 2.559 ( 2.176 1.793 -0.000) 2.819 2.564 ( 4.100 3.681 -0.000) 5.510 2.851 ( -3.502 0.862 0.000) 3.607 2.992 ( 2.583 -1.920 -0.000) 3.218 3.099 ( 4.437 -4.525 -0.000) 6.337 3.193 ( 5.449 -1.269 -0.000) 5.594 3.206 ( 7.871 0.357 -0.000) 7.879 3.352 ( -1.290 -8.391 -0.000) 8.490 3.590 ( -6.985 -2.190 0.000) 7.320 3.658 ( -5.495 10.001 0.000) 11.411 4.183 ( 8.985 -9.710 -0.000) 13.229 4.919 ( -4.296 2.781 0.000) 5.118 4.934 ( 3.518 -0.140 -0.000) 3.521 6.597 ( 1.757 5.935 0.000) 6.189 6.653 ( -7.526 1.330 0.000) 7.643 6.667 ( -3.183 1.681 0.000) 3.600 6.768 ( -1.871 3.662 0.000) 4.113 7.140 ( -0.369 2.964 0.000) 2.987 7.342 ( -2.596 -0.035 0.000) 2.596 9.417 ( -2.845 -3.193 0.000) 4.277 9.606 ( 6.088 0.790 -0.000) 6.139 10.880 ( -0.076 3.203 0.000) 3.204 11.030 ( 0.521 -3.268 -0.000) 3.309 11.074 ( -0.654 4.605 0.000) 4.651 11.222 ( 2.034 -3.274 -0.000) 3.854 11.237 ( 2.895 -4.559 -0.000) 5.400 11.542 ( -0.091 -3.205 -0.000) 3.206 12.405 ( -0.391 -0.816 0.000) 0.905 12.516 ( -2.910 -0.209 0.000) 2.917 12.721 ( 5.281 4.914 -0.000) 7.213 12.742 ( 1.146 -0.907 -0.000) 1.462 12.847 ( 0.451 -2.269 -0.000) 2.313 12.893 ( -2.695 -0.791 0.000) 2.808 23.247 ( -5.305 -3.068 0.000) 6.128 23.265 ( 3.048 5.102 -0.000) 5.944 24.112 ( -0.000 -5.765 -0.000) 5.765 24.114 ( 5.604 0.102 -0.000) 5.605 24.760 ( -0.240 3.565 0.000) 3.573 24.764 ( -3.558 0.378 0.000) 3.578 28.060 ( -5.814 -1.207 0.000) 5.937 28.264 ( 6.029 9.559 -0.000) 11.302 28.649 ( 1.514 -4.299 -0.000) 4.558 28.679 ( -0.877 -2.333 -0.000) 2.492 28.896 ( 2.776 -6.969 -0.000) 7.502 28.982 ( 4.551 -2.154 -0.000) 5.035 29.927 ( -0.098 -1.461 -0.000) 1.464 29.966 ( -0.388 1.065 0.000) 1.133 30.142 ( -3.409 5.825 0.000) 6.749 30.221 ( -3.510 1.127 0.000) 3.686 42.696 ( -2.058 -0.249 0.000) 2.073 42.770 ( 0.337 2.948 0.000) 2.967 43.110 ( 0.560 -3.507 -0.000) 3.551 43.226 ( 2.979 -0.671 -0.000) 3.054 43.304 ( 1.718 1.474 -0.000) 2.264 43.319 ( -1.479 -1.919 0.000) 2.423 50.220 ( 1.373 -1.333 -0.000) 1.913 50.222 ( 1.262 -1.422 -0.000) 1.901 50.589 ( -2.121 1.967 0.000) 2.893 50.592 ( -1.887 2.148 0.000) 2.859 85.588 ( 1.486 -2.695 -0.000) 3.078 85.705 ( 2.162 -3.717 -0.000) 4.300 85.950 ( 0.129 2.618 0.000) 2.621 86.052 ( -2.318 -4.361 0.000) 4.939 87.089 ( 18.558 13.254 -0.000) 22.805 87.341 ( -12.007 -13.017 0.000) 17.710 95.162 ( 3.219 -0.899 -0.000) 3.342 95.181 ( 1.030 -3.822 -0.000) 3.958 95.958 ( -17.431 6.474 0.000) 18.594 96.012 ( -5.544 16.866 0.000) 17.754 97.190 ( -4.332 8.542 0.000) 9.578 97.310 ( -0.176 -7.686 -0.000) 7.688 97.396 ( 4.308 -0.143 -0.000) 4.311 97.808 ( -0.513 1.822 0.000) 1.893 98.799 ( 5.229 -16.571 -0.000) 17.377 98.844 ( 13.298 -3.751 -0.000) 13.817 ======================= Grid point 174 (76/86) ======================= q-point: ( 0.25 0.75 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 2.416 5.048 -0.000) 5.596 1.583 ( -7.556 -0.313 0.000) 7.562 1.852 ( 7.500 -3.221 -0.000) 8.162 2.001 ( -5.784 -4.437 0.000) 7.290 2.184 ( -5.444 -4.969 0.000) 7.371 2.236 ( 1.845 1.086 -0.000) 2.141 2.374 ( 3.798 4.022 -0.000) 5.532 2.406 ( 1.695 0.280 -0.000) 1.718 2.609 ( 0.963 -1.221 -0.000) 1.555 2.675 ( 3.916 3.434 -0.000) 5.208 2.720 ( 4.591 6.555 -0.000) 8.003 2.866 ( 1.163 3.578 0.000) 3.762 2.927 ( 2.449 -4.690 -0.000) 5.290 3.051 ( 2.632 -2.227 -0.000) 3.448 3.346 ( 4.175 0.684 -0.000) 4.231 3.369 ( -5.118 -1.565 0.000) 5.352 3.492 ( 18.448 7.606 -0.000) 19.954 3.581 ( 7.341 7.395 -0.000) 10.420 3.739 ( -5.711 7.567 0.000) 9.481 4.141 ( 6.720 -9.381 -0.000) 11.540 4.755 ( -9.676 -3.195 0.000) 10.190 4.926 ( -1.228 -3.681 -0.000) 3.881 6.504 ( -4.951 -0.785 0.000) 5.012 6.547 ( -2.707 -2.879 0.000) 3.952 6.771 ( -0.349 8.222 0.000) 8.229 6.843 ( -3.482 5.459 0.000) 6.475 7.121 ( -3.173 -1.044 0.000) 3.340 7.199 ( -3.307 -6.794 0.000) 7.556 9.387 ( 0.302 2.079 0.000) 2.101 9.793 ( 9.226 0.917 -0.000) 9.271 10.971 ( 1.522 3.826 0.000) 4.118 10.985 ( -2.026 0.820 0.000) 2.186 11.092 ( -2.417 -0.042 0.000) 2.417 11.145 ( -0.725 -5.388 -0.000) 5.437 11.201 ( 2.162 -2.028 -0.000) 2.964 11.383 ( -3.467 -7.166 0.000) 7.961 12.461 ( 1.938 2.596 -0.000) 3.239 12.495 ( 0.325 0.484 -0.000) 0.583 12.738 ( 0.934 -1.591 -0.000) 1.845 12.820 ( 0.642 -1.643 -0.000) 1.764 12.864 ( -1.095 1.726 0.000) 2.044 12.948 ( 5.310 5.162 -0.000) 7.406 23.086 ( -5.955 -1.382 0.000) 6.113 23.418 ( 3.954 2.918 -0.000) 4.914 24.013 ( 0.098 -3.900 -0.000) 3.901 24.238 ( 6.403 0.013 -0.000) 6.403 24.653 ( -5.604 -0.997 0.000) 5.692 24.765 ( -2.297 0.060 0.000) 2.298 27.915 ( -7.134 -0.360 0.000) 7.143 28.533 ( -0.251 -8.545 -0.000) 8.548 28.605 ( 7.926 9.566 -0.000) 12.423 28.666 ( 0.548 1.069 -0.000) 1.201 28.824 ( 1.662 -4.206 -0.000) 4.523 28.984 ( 3.249 -3.929 -0.000) 5.098 29.954 ( 2.240 0.933 -0.000) 2.426 29.979 ( -1.819 1.678 0.000) 2.474 30.162 ( -2.840 -0.303 0.000) 2.856 30.184 ( -2.924 4.626 0.000) 5.473 42.646 ( -2.570 -0.049 0.000) 2.571 42.791 ( -0.617 -0.141 0.000) 0.633 43.102 ( 2.153 -0.211 -0.000) 2.164 43.233 ( -1.394 -2.343 0.000) 2.726 43.272 ( 1.776 -0.494 -0.000) 1.844 43.359 ( 0.926 0.886 -0.000) 1.282 50.227 ( 1.233 -0.679 -0.000) 1.408 50.230 ( 1.980 -0.882 -0.000) 2.167 50.580 ( -1.922 1.223 0.000) 2.278 50.586 ( -2.192 1.294 0.000) 2.546 85.658 ( 4.877 3.004 -0.000) 5.728 85.701 ( 1.623 -1.361 -0.000) 2.119 85.873 ( -4.955 -4.214 0.000) 6.504 85.977 ( -0.528 0.906 0.000) 1.049 86.903 ( -12.185 -7.252 0.000) 14.180 87.886 ( 29.026 13.644 -0.000) 32.073 95.155 ( 0.902 -1.367 -0.000) 1.638 95.267 ( 7.492 0.780 -0.000) 7.533 95.752 ( -13.184 3.810 0.000) 13.723 96.258 ( -4.234 16.967 0.000) 17.487 97.095 ( -4.936 -5.465 0.000) 7.364 97.264 ( -6.437 10.431 0.000) 12.257 97.342 ( 3.460 -13.448 -0.000) 13.886 97.695 ( -7.380 -6.646 0.000) 9.931 98.665 ( 6.399 -8.093 -0.000) 10.317 99.002 ( 10.186 -2.835 -0.000) 10.573 ======================= Grid point 178 (77/86) ======================= q-point: ( 0.25 0.50 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -2.778 -0.950 12.668) 13.003 1.342 ( 7.842 -4.965 12.153) 15.292 1.746 ( 6.328 -7.259 17.494) 19.970 1.962 ( -5.450 -2.461 -7.698) 9.747 2.159 ( 7.409 -1.512 -1.322) 7.677 2.218 ( -0.444 -0.639 -7.546) 7.586 2.308 ( 3.062 -0.661 -5.616) 6.430 2.383 ( 6.625 -2.830 -5.527) 9.080 2.492 ( 0.563 3.371 -0.403) 3.442 2.650 ( -3.415 -0.283 0.524) 3.466 2.660 ( -4.408 2.143 0.171) 4.904 2.809 ( 5.185 -7.239 -2.158) 9.162 2.910 ( -1.731 0.364 0.367) 1.807 2.946 ( 0.018 -0.590 -1.013) 1.172 3.101 ( 5.305 -1.368 0.563) 5.507 3.159 ( 6.767 3.702 -3.036) 8.289 3.288 ( -7.976 -5.573 -0.598) 9.748 3.417 ( 6.272 -5.950 0.768) 8.679 3.746 ( 9.051 -0.172 -0.848) 9.092 3.798 ( 4.058 -11.425 0.722) 12.145 4.951 ( -2.801 3.529 4.715) 6.522 5.171 ( -4.950 4.695 -6.246) 9.250 6.638 ( 1.491 3.060 0.641) 3.464 6.707 ( -2.642 -3.862 -0.855) 4.757 6.764 ( -0.804 3.498 1.746) 3.991 6.836 ( 0.545 -1.001 -3.712) 3.883 7.299 ( -5.368 5.968 7.027) 10.669 7.570 ( -5.638 5.048 -6.861) 10.215 9.383 ( 0.026 -2.081 0.660) 2.183 9.455 ( 5.335 -3.160 -0.819) 6.254 10.917 ( -0.032 0.572 0.866) 1.039 10.960 ( 1.718 -2.341 -0.536) 2.953 11.116 ( 0.176 1.301 0.693) 1.484 11.145 ( 0.883 -0.736 -0.673) 1.332 11.310 ( -5.981 5.928 1.702) 8.591 11.494 ( -1.126 -0.907 0.343) 1.486 12.400 ( -0.555 -0.334 0.378) 0.750 12.525 ( 2.066 -3.735 0.752) 4.334 12.613 ( 3.368 -0.670 2.697) 4.367 12.707 ( 1.124 0.526 -1.977) 2.334 12.803 ( 1.113 -0.982 -1.740) 2.287 12.866 ( 2.295 -3.857 -2.797) 5.289 23.079 ( 0.216 -0.311 11.178) 11.185 23.523 ( -2.542 2.599 -11.668) 12.221 24.042 ( 1.017 -1.338 -1.133) 2.027 24.059 ( 1.902 -1.598 -2.512) 3.532 24.837 ( -1.538 3.427 2.016) 4.263 24.841 ( -3.272 1.390 1.896) 4.029 28.052 ( -3.449 2.892 12.745) 13.516 28.352 ( 0.269 1.604 -1.540) 2.239 28.522 ( 4.709 -5.282 -2.264) 7.430 28.689 ( 1.664 -1.013 -7.248) 7.505 28.778 ( -0.496 -0.659 0.034) 0.826 28.862 ( 2.776 -2.821 -0.956) 4.071 29.885 ( 0.910 -1.912 0.593) 2.199 29.937 ( 2.071 -1.193 -0.810) 2.524 30.270 ( -1.602 1.950 2.396) 3.480 30.332 ( -4.195 3.788 -0.127) 5.653 42.701 ( -1.379 1.039 5.427) 5.695 42.868 ( -2.491 3.545 -1.613) 4.623 43.043 ( 0.410 -2.132 -0.405) 2.208 43.162 ( 3.362 -1.958 -3.425) 5.183 43.288 ( 0.658 -0.132 0.531) 0.856 43.298 ( 0.314 -1.221 -0.052) 1.262 50.146 ( 0.679 -0.681 0.990) 1.380 50.255 ( 0.248 -0.262 -4.603) 4.617 50.592 ( -0.947 0.953 4.334) 4.538 50.684 ( -1.287 1.297 -0.439) 1.879 85.521 ( 1.273 -1.734 -1.186) 2.456 85.574 ( 3.485 -3.358 -0.947) 4.932 85.956 ( -2.038 -0.494 4.225) 4.716 86.013 ( 1.347 -0.105 1.326) 1.894 86.695 ( 4.655 0.297 15.141) 15.844 87.470 ( 10.254 -13.583 -26.555) 31.541 95.060 ( 1.446 -1.424 1.830) 2.733 95.127 ( 1.309 -1.407 -1.685) 2.555 96.510 ( -15.556 14.664 1.350) 21.421 96.585 ( -15.640 15.488 -2.410) 22.143 97.171 ( 3.165 -1.147 0.978) 3.506 97.224 ( 1.992 -1.613 0.941) 2.731 97.527 ( -4.106 3.929 5.506) 7.913 97.823 ( 4.112 -2.776 -6.769) 8.393 98.230 ( 5.070 -9.284 9.801) 14.421 98.561 ( 10.404 -8.603 -5.669) 14.642 ======================= Grid point 179 (78/86) ======================= q-point: ( 0.31 0.69 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 1.615 7.988 0.000) 8.149 1.667 ( -6.964 8.034 0.000) 10.632 1.669 ( 5.032 -12.693 -0.000) 13.654 1.981 ( -8.682 1.249 0.000) 8.771 2.167 ( -3.848 2.806 0.000) 4.762 2.261 ( 0.469 1.270 0.000) 1.354 2.391 ( 2.890 -2.111 -0.000) 3.579 2.430 ( -0.818 0.466 0.000) 0.941 2.545 ( 5.953 -4.064 -0.000) 7.208 2.660 ( 12.640 -4.097 -0.000) 13.287 2.834 ( -0.537 4.085 0.000) 4.120 2.869 ( 2.727 2.781 -0.000) 3.895 2.992 ( 3.013 5.022 -0.000) 5.856 2.992 ( 4.567 -2.822 -0.000) 5.369 3.268 ( 0.624 -8.480 -0.000) 8.503 3.313 ( 9.804 -2.188 -0.000) 10.045 3.669 ( 1.288 0.559 -0.000) 1.404 3.727 ( 15.510 10.295 -0.000) 18.616 3.874 ( -4.044 8.088 0.000) 9.043 3.928 ( 10.650 -10.882 -0.000) 15.226 4.733 ( -9.026 1.282 0.000) 9.116 4.867 ( -6.730 -2.257 0.000) 7.099 6.494 ( -1.479 -1.900 0.000) 2.408 6.502 ( -4.272 0.921 0.000) 4.370 6.867 ( -1.192 -3.163 -0.000) 3.380 6.929 ( -0.286 7.215 0.000) 7.221 7.031 ( -5.295 -9.558 0.000) 10.927 7.166 ( -8.780 5.011 0.000) 10.109 9.448 ( 1.267 3.603 0.000) 3.819 9.752 ( 10.087 -4.609 -0.000) 11.090 10.984 ( -1.454 -7.024 -0.000) 7.173 11.028 ( 0.098 0.124 -0.000) 0.158 11.057 ( -0.140 5.758 0.000) 5.760 11.070 ( 1.559 -0.604 -0.000) 1.672 11.249 ( -4.013 -5.153 0.000) 6.531 11.303 ( -3.178 8.477 0.000) 9.053 12.503 ( 1.338 0.094 -0.000) 1.342 12.515 ( 0.338 2.552 0.000) 2.574 12.693 ( 1.288 -2.815 -0.000) 3.095 12.781 ( 1.505 -2.046 -0.000) 2.540 12.890 ( 1.437 0.713 -0.000) 1.604 13.012 ( 4.970 1.074 -0.000) 5.085 23.077 ( -5.987 0.397 0.000) 6.001 23.447 ( 3.994 -0.231 -0.000) 4.000 23.973 ( -0.277 0.071 0.000) 0.286 24.238 ( 6.305 -0.014 -0.000) 6.305 24.641 ( -5.819 -0.125 0.000) 5.820 24.764 ( -3.097 -0.003 0.000) 3.097 27.928 ( -8.200 1.671 0.000) 8.369 28.349 ( -0.678 -8.853 -0.000) 8.879 28.690 ( 1.983 0.407 -0.000) 2.024 28.768 ( 8.744 5.607 -0.000) 10.388 28.793 ( 0.442 1.877 0.000) 1.929 28.924 ( 3.671 -1.107 -0.000) 3.834 29.970 ( 1.722 0.453 -0.000) 1.780 29.997 ( -0.725 0.013 0.000) 0.725 30.143 ( -3.430 -1.605 0.000) 3.787 30.249 ( -2.312 1.610 0.000) 2.817 42.655 ( -3.324 0.907 0.000) 3.446 42.772 ( -0.379 -1.545 -0.000) 1.591 43.125 ( 1.820 2.257 -0.000) 2.899 43.194 ( -0.161 -1.302 -0.000) 1.312 43.260 ( 1.270 -0.619 -0.000) 1.413 43.370 ( 0.679 0.188 -0.000) 0.705 50.221 ( 2.003 0.024 -0.000) 2.003 50.221 ( 1.135 0.072 -0.000) 1.138 50.592 ( -1.869 0.002 0.000) 1.869 50.598 ( -2.205 -0.083 0.000) 2.207 85.680 ( 2.406 -0.996 -0.000) 2.604 85.731 ( 7.231 3.453 -0.000) 8.014 85.825 ( -5.369 -0.315 0.000) 5.378 86.012 ( -2.019 2.798 0.000) 3.450 86.757 ( -8.401 -6.486 0.000) 10.614 88.045 ( 28.354 1.452 -0.000) 28.391 95.139 ( 1.056 -0.193 -0.000) 1.074 95.282 ( 8.381 0.600 -0.000) 8.402 95.805 ( -13.755 1.124 0.000) 13.801 96.471 ( -6.349 -1.690 0.000) 6.570 97.036 ( -5.107 -0.377 0.000) 5.121 97.119 ( 3.201 -1.705 -0.000) 3.626 97.503 ( -8.589 -11.100 0.000) 14.035 97.522 ( -7.874 13.497 0.000) 15.626 98.572 ( 6.768 -1.032 -0.000) 6.846 98.983 ( 11.942 0.975 -0.000) 11.982 ======================= Grid point 183 (79/86) ======================= q-point: ( 0.31 0.44 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 2.656 2.359 13.794) 14.244 1.276 ( 6.993 -1.945 14.949) 16.618 1.668 ( 7.319 0.099 20.308) 21.587 1.990 ( -1.288 4.416 -6.618) 8.060 2.081 ( 9.662 -3.754 -8.200) 13.217 2.227 ( 1.768 0.225 -7.540) 7.748 2.284 ( -0.439 1.022 -4.698) 4.828 2.331 ( -0.220 -2.568 -4.360) 5.065 2.561 ( 1.014 -5.870 -2.635) 6.514 2.626 ( 4.095 4.233 -0.355) 5.901 2.682 ( -0.869 4.352 -0.668) 4.488 2.750 ( 2.916 -1.562 0.190) 3.314 2.940 ( 0.581 1.483 0.186) 1.604 2.961 ( -0.716 -0.649 -0.413) 1.051 3.014 ( 0.161 -0.726 0.816) 1.104 3.130 ( 2.795 -3.998 -2.134) 5.325 3.294 ( 0.307 4.282 -0.602) 4.335 3.463 ( 6.581 1.089 -2.829) 7.246 3.583 ( 2.749 -2.960 2.934) 4.992 3.752 ( 11.277 1.076 0.016) 11.328 4.985 ( -3.629 -0.203 5.329) 6.451 5.220 ( -5.869 0.076 -7.119) 9.227 6.623 ( -3.236 -1.159 0.032) 3.438 6.699 ( 0.698 1.615 -0.415) 1.808 6.778 ( -1.593 -0.835 0.608) 1.898 6.851 ( 4.162 0.267 -1.144) 4.325 7.359 ( -6.463 -0.136 7.393) 9.821 7.627 ( -5.930 0.162 -6.920) 9.115 9.370 ( 1.363 0.831 0.651) 1.725 9.414 ( 5.039 -0.861 -0.349) 5.124 10.922 ( 0.993 -0.349 0.440) 1.140 10.936 ( 2.383 0.373 -0.197) 2.420 11.122 ( -1.779 -0.523 0.024) 1.855 11.133 ( -0.844 0.112 -0.056) 0.853 11.397 ( -3.405 -0.730 2.559) 4.321 11.479 ( -5.812 1.293 -1.043) 6.045 12.421 ( 1.358 1.246 0.976) 2.086 12.457 ( 4.302 -0.874 -0.278) 4.399 12.602 ( 1.613 -0.433 3.828) 4.176 12.709 ( -0.062 -0.531 -2.295) 2.356 12.797 ( 1.950 -0.643 -2.041) 2.895 12.824 ( 4.556 1.105 -3.197) 5.674 23.075 ( 0.085 0.027 11.644) 11.645 23.553 ( -2.637 -0.017 -12.812) 13.081 24.011 ( -0.670 0.045 -1.045) 1.242 24.057 ( 3.619 -0.039 -1.971) 4.121 24.855 ( -4.041 -0.109 2.082) 4.548 24.874 ( -2.168 0.108 2.070) 3.000 28.088 ( -5.296 0.212 12.943) 13.986 28.395 ( 2.778 -1.964 -0.506) 3.440 28.426 ( 3.804 1.548 -1.288) 4.304 28.675 ( 1.577 -0.230 -8.971) 9.111 28.795 ( 0.065 0.777 0.474) 0.912 28.817 ( 2.104 -0.402 -1.064) 2.392 29.870 ( 2.929 0.346 1.202) 3.185 29.919 ( 1.570 -0.307 -1.351) 2.094 30.287 ( -1.848 -0.053 2.862) 3.408 30.377 ( -4.427 0.072 -1.456) 4.661 42.715 ( -1.601 0.106 6.424) 6.621 42.903 ( -5.293 -0.504 -2.430) 5.846 43.037 ( 1.785 1.020 -0.007) 2.056 43.123 ( 4.204 -0.757 -4.368) 6.109 43.272 ( -0.541 0.031 0.426) 0.689 43.300 ( 1.931 0.100 0.250) 1.949 50.139 ( 0.598 0.000 1.035) 1.196 50.252 ( 0.190 0.004 -4.765) 4.769 50.603 ( -0.951 -0.001 4.494) 4.594 50.698 ( -1.286 -0.003 -0.451) 1.363 85.518 ( 2.974 0.969 -1.417) 3.434 85.526 ( 3.670 -0.881 -1.459) 4.046 85.963 ( -2.450 1.462 2.974) 4.121 86.005 ( 1.456 -1.095 2.603) 3.177 86.667 ( 1.180 -1.657 13.598) 13.749 87.338 ( 19.448 1.201 -21.718) 29.178 95.046 ( 1.465 -0.003 1.884) 2.386 95.114 ( 1.500 0.022 -1.686) 2.257 96.632 ( -24.629 -0.327 -0.509) 24.636 96.936 ( -15.529 7.266 1.360) 17.199 97.037 ( 0.194 -8.820 -0.414) 8.832 97.194 ( -1.612 1.257 0.211) 2.055 97.551 ( 4.281 0.080 4.577) 6.268 97.752 ( 15.285 -0.300 -5.421) 16.220 98.194 ( -3.212 1.765 8.023) 8.820 98.448 ( 10.549 -0.948 -4.987) 11.707 ======================= Grid point 207 (80/86) ======================= q-point: (-0.69 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -9.549 -1.365 0.000) 9.646 1.513 ( 8.150 -2.352 -0.000) 8.483 2.029 ( -3.160 -5.010 0.000) 5.924 2.055 ( 12.302 9.990 -0.000) 15.847 2.106 ( -3.892 -10.354 -0.000) 11.061 2.181 ( -0.920 -8.460 -0.000) 8.510 2.316 ( -2.163 -5.818 -0.000) 6.207 2.384 ( -0.053 -0.368 -0.000) 0.372 2.475 ( 3.605 11.242 0.000) 11.806 2.482 ( 3.946 -1.866 -0.000) 4.364 2.757 ( -9.105 -6.938 0.000) 11.447 2.907 ( -1.670 -0.467 0.000) 1.734 2.962 ( 1.356 3.443 0.000) 3.700 2.976 ( 2.333 -3.324 -0.000) 4.061 3.067 ( 5.045 -11.080 -0.000) 12.175 3.113 ( 2.743 -0.584 -0.000) 2.804 3.481 ( -9.282 -11.403 0.000) 14.704 3.626 ( 4.653 -10.113 -0.000) 11.132 3.710 ( 1.215 2.804 0.000) 3.056 3.991 ( 7.617 -7.319 -0.000) 10.564 4.899 ( -0.252 5.976 0.000) 5.981 4.991 ( -2.224 6.519 0.000) 6.888 6.553 ( 1.936 4.856 0.000) 5.227 6.662 ( 2.600 6.779 0.000) 7.260 6.797 ( -6.060 1.132 0.000) 6.164 6.820 ( -2.759 -5.939 0.000) 6.549 7.190 ( -3.862 11.816 0.000) 12.431 7.384 ( -0.855 5.194 0.000) 5.264 9.482 ( -3.501 -6.380 0.000) 7.277 9.492 ( 4.952 -2.023 -0.000) 5.349 10.906 ( -2.443 1.552 0.000) 2.895 11.014 ( 0.661 -3.393 -0.000) 3.457 11.066 ( 0.837 3.748 0.000) 3.840 11.161 ( 4.117 -1.528 -0.000) 4.391 11.243 ( -3.458 2.214 0.000) 4.106 11.503 ( 4.262 0.693 -0.000) 4.318 12.435 ( -2.290 -2.251 0.000) 3.211 12.591 ( -3.748 0.048 0.000) 3.748 12.603 ( 5.681 -0.248 -0.000) 5.687 12.722 ( 0.517 -1.737 -0.000) 1.813 12.836 ( 0.416 -3.300 -0.000) 3.326 12.922 ( -0.054 -3.968 -0.000) 3.968 23.215 ( 1.821 5.238 0.000) 5.546 23.338 ( -3.443 -2.931 0.000) 4.522 24.022 ( 3.396 0.619 -0.000) 3.452 24.117 ( -0.366 -5.243 -0.000) 5.256 24.763 ( -0.106 5.459 0.000) 5.460 24.817 ( -1.700 2.527 0.000) 3.045 28.159 ( 4.368 8.521 -0.000) 9.575 28.192 ( -7.478 0.145 0.000) 7.479 28.624 ( 0.673 -4.326 -0.000) 4.378 28.684 ( 1.384 -5.139 -0.000) 5.322 28.842 ( 1.579 -5.236 -0.000) 5.469 28.881 ( 5.184 -0.538 -0.000) 5.212 29.941 ( -1.127 -2.908 -0.000) 3.119 29.956 ( 1.151 -0.993 -0.000) 1.520 30.204 ( -2.564 5.669 0.000) 6.222 30.283 ( -2.224 1.798 0.000) 2.860 42.742 ( -2.526 0.815 0.000) 2.654 42.757 ( 1.044 4.113 0.000) 4.243 43.116 ( -1.174 -3.941 -0.000) 4.112 43.157 ( 3.677 -1.247 -0.000) 3.883 43.274 ( 1.190 1.160 -0.000) 1.662 43.340 ( -0.584 -1.917 -0.000) 2.004 50.198 ( 0.787 -1.154 -0.000) 1.397 50.204 ( 0.545 -1.199 -0.000) 1.317 50.622 ( -1.065 2.046 0.000) 2.306 50.625 ( -1.364 1.894 0.000) 2.334 85.580 ( -0.657 -4.273 -0.000) 4.324 85.655 ( 2.818 -5.360 -0.000) 6.056 85.941 ( 0.987 3.838 0.000) 3.963 86.068 ( 0.611 -1.814 -0.000) 1.914 86.837 ( 5.457 6.225 -0.000) 8.278 87.501 ( -3.628 -20.972 -0.000) 21.284 95.119 ( 1.242 -1.537 -0.000) 1.976 95.160 ( 0.902 -4.661 -0.000) 4.747 96.117 ( -4.245 19.047 0.000) 19.514 96.357 ( -21.146 9.362 0.000) 23.126 97.187 ( 3.922 5.268 -0.000) 6.568 97.220 ( 9.249 -2.810 -0.000) 9.667 97.459 ( -9.609 7.808 0.000) 12.381 97.780 ( 3.168 0.240 -0.000) 3.177 98.573 ( 12.421 -4.194 -0.000) 13.110 98.702 ( 3.727 -18.954 -0.000) 19.317 ======================= Grid point 212 (81/86) ======================= q-point: ( 0.31 0.69 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -3.412 4.143 0.000) 5.367 1.654 ( 10.064 -1.877 -0.000) 10.237 1.744 ( -7.771 -0.374 0.000) 7.780 2.016 ( 0.556 -5.760 -0.000) 5.786 2.132 ( 6.434 0.454 -0.000) 6.450 2.288 ( 4.566 1.170 -0.000) 4.713 2.353 ( 3.918 0.289 -0.000) 3.929 2.430 ( -11.481 -1.357 0.000) 11.561 2.520 ( 8.558 -5.314 -0.000) 10.074 2.612 ( -1.406 -0.690 0.000) 1.567 2.625 ( 6.535 10.834 -0.000) 12.653 2.844 ( 1.747 -5.249 -0.000) 5.532 2.903 ( -0.011 1.284 0.000) 1.284 2.988 ( 4.757 -4.516 -0.000) 6.559 3.195 ( 4.463 -6.740 -0.000) 8.084 3.246 ( 6.510 6.012 -0.000) 8.861 3.312 ( 8.821 5.303 -0.000) 10.292 3.511 ( 1.547 -4.020 -0.000) 4.308 3.817 ( -0.359 5.637 0.000) 5.649 3.955 ( 9.818 -12.147 -0.000) 15.619 4.953 ( -8.738 0.238 0.000) 8.741 4.960 ( -2.402 2.259 0.000) 3.297 6.618 ( -4.137 -4.544 0.000) 6.146 6.625 ( -5.750 -0.773 0.000) 5.802 6.756 ( 1.126 6.013 0.000) 6.118 6.848 ( 2.390 3.487 -0.000) 4.227 7.251 ( -8.365 6.447 0.000) 10.561 7.325 ( -7.831 -1.753 0.000) 8.025 9.384 ( -0.021 -0.048 -0.000) 0.053 9.599 ( 9.177 -1.460 -0.000) 9.293 10.942 ( 1.198 2.815 0.000) 3.059 10.986 ( 1.287 -0.778 -0.000) 1.504 11.139 ( 0.219 -3.898 -0.000) 3.905 11.147 ( 0.446 -4.130 -0.000) 4.154 11.207 ( -4.614 7.586 0.000) 8.879 11.451 ( -3.173 -5.519 0.000) 6.366 12.420 ( 1.786 2.157 -0.000) 2.801 12.508 ( -1.573 -0.680 0.000) 1.714 12.715 ( 1.258 -1.699 -0.000) 2.114 12.781 ( 5.398 -2.013 -0.000) 5.761 12.827 ( 4.310 3.304 -0.000) 5.431 12.868 ( 0.723 -1.573 -0.000) 1.731 23.202 ( -5.384 -1.352 0.000) 5.551 23.349 ( 2.916 2.986 -0.000) 4.174 24.019 ( -0.585 -3.326 -0.000) 3.377 24.120 ( 5.173 0.310 -0.000) 5.182 24.767 ( -5.443 -0.009 0.000) 5.443 24.814 ( -2.444 1.791 0.000) 3.030 28.056 ( -6.999 0.704 0.000) 7.034 28.447 ( 6.998 8.414 -0.000) 10.943 28.531 ( 0.843 -7.319 -0.000) 7.368 28.651 ( 1.443 -0.782 -0.000) 1.641 28.786 ( 1.664 -3.212 -0.000) 3.618 28.920 ( 3.094 -3.539 -0.000) 4.701 29.912 ( 1.714 0.101 -0.000) 1.717 29.977 ( 1.650 -0.038 -0.000) 1.650 30.239 ( -4.329 0.597 0.000) 4.370 30.246 ( -3.124 4.135 0.000) 5.183 42.703 ( -3.131 0.931 0.000) 3.267 42.812 ( -1.380 0.722 0.000) 1.557 43.061 ( 1.780 -0.799 -0.000) 1.951 43.204 ( 3.316 -1.730 -0.000) 3.740 43.277 ( -1.279 -1.743 0.000) 2.162 43.330 ( 1.812 0.981 -0.000) 2.060 50.199 ( 1.107 -0.829 -0.000) 1.383 50.202 ( 1.160 -0.490 -0.000) 1.259 50.621 ( -2.022 1.123 0.000) 2.313 50.627 ( -1.842 1.294 0.000) 2.252 85.563 ( 4.036 0.343 -0.000) 4.051 85.645 ( 3.583 -2.262 -0.000) 4.237 85.965 ( -3.791 -3.691 0.000) 5.291 85.996 ( -0.932 2.125 0.000) 2.320 87.082 ( -5.249 -12.453 -0.000) 13.514 87.331 ( 24.775 10.346 -0.000) 26.848 95.126 ( 1.652 -1.676 -0.000) 2.354 95.148 ( 4.184 -0.415 -0.000) 4.204 96.089 ( -20.010 5.678 0.000) 20.800 96.384 ( -7.687 19.104 0.000) 20.592 97.177 ( -2.808 -4.979 0.000) 5.716 97.275 ( 2.476 -8.494 -0.000) 8.848 97.433 ( -9.068 10.873 0.000) 14.158 97.798 ( -1.811 -3.262 0.000) 3.731 98.498 ( 9.255 -11.298 -0.000) 14.605 98.746 ( 14.191 -5.148 -0.000) 15.096 ======================= Grid point 217 (82/86) ======================= q-point: ( 0.38 0.62 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -0.378 6.306 0.000) 6.317 1.556 ( 5.949 -8.193 -0.000) 10.125 1.834 ( -8.253 8.646 0.000) 11.953 1.980 ( 1.984 2.177 -0.000) 2.945 2.169 ( 6.717 2.123 -0.000) 7.044 2.313 ( 10.505 -10.628 -0.000) 14.944 2.331 ( 10.092 3.458 -0.000) 10.668 2.346 ( 8.661 -1.381 -0.000) 8.770 2.441 ( -13.494 -0.001 0.000) 13.494 2.518 ( -2.674 -6.137 -0.000) 6.694 2.803 ( 3.101 0.633 -0.000) 3.165 2.836 ( 3.125 9.240 0.000) 9.754 2.935 ( 1.163 -1.214 -0.000) 1.681 2.960 ( 1.064 2.863 0.000) 3.054 3.079 ( 9.771 -4.394 -0.000) 10.714 3.210 ( 4.661 -11.010 -0.000) 11.956 3.434 ( 11.512 11.551 -0.000) 16.308 3.580 ( 6.929 5.924 -0.000) 9.116 3.722 ( 8.363 -9.693 -0.000) 12.802 3.899 ( 3.308 3.092 -0.000) 4.528 4.930 ( -9.471 -2.069 0.000) 9.694 5.000 ( -6.108 1.158 0.000) 6.217 6.547 ( -3.693 -1.719 0.000) 4.073 6.621 ( -6.570 0.888 0.000) 6.630 6.837 ( 5.088 1.584 -0.000) 5.328 6.874 ( 0.635 -1.309 -0.000) 1.455 7.270 ( -12.620 -3.625 0.000) 13.130 7.358 ( -9.180 3.545 0.000) 9.841 9.412 ( 1.994 2.799 -0.000) 3.436 9.551 ( 9.046 -3.115 -0.000) 9.567 10.964 ( 2.031 -2.490 -0.000) 3.214 10.990 ( 2.990 1.862 -0.000) 3.523 11.080 ( -1.999 -2.278 0.000) 3.031 11.098 ( -2.422 1.110 0.000) 2.664 11.336 ( -4.683 -5.486 0.000) 7.213 11.373 ( -3.879 8.097 0.000) 8.979 12.482 ( 0.824 -1.990 -0.000) 2.154 12.489 ( 2.164 4.697 -0.000) 5.172 12.668 ( 0.907 -3.103 -0.000) 3.233 12.732 ( 3.386 -1.712 -0.000) 3.794 12.840 ( 3.202 -0.908 -0.000) 3.329 12.895 ( 6.010 2.612 -0.000) 6.553 23.193 ( -5.355 0.375 0.000) 5.368 23.377 ( 2.866 -0.285 -0.000) 2.881 23.985 ( -0.834 0.094 0.000) 0.839 24.123 ( 5.057 -0.093 -0.000) 5.057 24.765 ( -6.208 -0.115 0.000) 6.209 24.833 ( -3.507 0.088 0.000) 3.508 28.089 ( -7.685 2.561 0.000) 8.100 28.361 ( -0.374 -8.904 -0.000) 8.912 28.601 ( 7.661 6.375 -0.000) 9.966 28.629 ( 4.121 -1.139 -0.000) 4.275 28.790 ( -0.198 3.212 0.000) 3.219 28.856 ( 2.893 -2.455 -0.000) 3.794 29.929 ( 2.231 1.325 -0.000) 2.595 29.965 ( 2.985 -1.036 -0.000) 3.159 30.239 ( -5.193 -0.797 0.000) 5.254 30.298 ( -2.523 0.880 0.000) 2.672 42.729 ( -4.068 1.538 0.000) 4.350 42.793 ( -1.780 -2.221 0.000) 2.846 43.087 ( 2.003 2.933 -0.000) 3.552 43.156 ( 3.482 -2.608 -0.000) 4.350 43.261 ( -0.829 0.017 0.000) 0.829 43.343 ( 1.884 0.292 -0.000) 1.906 50.190 ( 1.074 -0.019 -0.000) 1.074 50.198 ( 1.075 0.055 -0.000) 1.076 50.633 ( -1.994 0.024 0.000) 1.994 50.640 ( -1.869 -0.056 0.000) 1.870 85.597 ( 5.856 2.639 -0.000) 6.423 85.607 ( 4.504 -1.713 -0.000) 4.819 85.924 ( -4.209 -0.148 0.000) 4.212 86.038 ( -0.459 2.005 0.000) 2.057 86.869 ( -2.805 -7.493 -0.000) 8.001 87.488 ( 26.013 4.679 -0.000) 26.431 95.108 ( 1.716 -0.165 -0.000) 1.724 95.147 ( 4.764 0.307 -0.000) 4.774 96.158 ( -20.839 0.671 0.000) 20.850 96.664 ( -12.407 0.275 0.000) 12.410 97.063 ( 2.280 -2.938 -0.000) 3.719 97.130 ( -4.077 0.587 0.000) 4.119 97.660 ( -4.350 9.355 0.000) 10.316 97.668 ( -6.558 -9.382 0.000) 11.447 98.405 ( 8.405 2.585 -0.000) 8.794 98.674 ( 17.585 -1.282 -0.000) 17.631 ======================= Grid point 221 (83/86) ======================= q-point: ( 0.38 0.38 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.000 0.000 16.842) 16.842 1.198 ( 0.000 0.000 16.842) 16.842 1.594 ( 0.000 0.000 24.317) 24.317 1.975 ( -0.000 -0.000 -10.859) 10.859 1.975 ( -0.000 -0.000 -10.859) 10.859 2.207 ( -0.000 -0.000 -6.146) 6.146 2.333 ( -0.000 -0.000 -1.607) 1.607 2.360 ( -0.000 -0.000 -5.324) 5.324 2.522 ( -0.000 -0.000 -3.659) 3.659 2.522 ( -0.000 -0.000 -3.659) 3.659 2.717 ( 0.000 0.000 0.830) 0.830 2.717 ( 0.000 0.000 0.830) 0.830 2.960 ( 0.000 0.000 3.008) 3.008 2.977 ( -0.000 -0.000 -0.908) 0.908 2.977 ( -0.000 -0.000 -0.908) 0.908 3.093 ( -0.000 -0.000 -3.746) 3.746 3.358 ( -0.000 -0.000 -0.735) 0.735 3.428 ( -0.000 -0.000 -3.607) 3.607 3.556 ( 0.000 0.000 2.589) 2.589 3.556 ( 0.000 0.000 2.589) 2.589 5.023 ( 0.000 0.000 5.828) 5.828 5.281 ( -0.000 -0.000 -7.859) 7.859 6.656 ( 0.000 0.000 0.005) 0.005 6.656 ( 0.000 0.000 0.005) 0.005 6.812 ( 0.000 0.000 1.029) 1.029 6.812 ( 0.000 0.000 1.029) 1.029 7.426 ( 0.000 0.000 7.622) 7.622 7.687 ( -0.000 -0.000 -6.191) 6.191 9.355 ( 0.000 0.000 0.637) 0.637 9.366 ( 0.000 0.000 0.072) 0.072 10.911 ( -0.000 -0.000 -0.069) 0.069 10.911 ( -0.000 -0.000 -0.069) 0.069 11.141 ( 0.000 0.000 0.121) 0.121 11.141 ( 0.000 0.000 0.121) 0.121 11.436 ( 0.000 0.000 3.061) 3.061 11.551 ( -0.000 -0.000 -2.887) 2.887 12.402 ( 0.000 0.000 0.266) 0.266 12.402 ( 0.000 0.000 0.266) 0.266 12.589 ( 0.000 0.000 4.379) 4.379 12.717 ( -0.000 -0.000 -2.286) 2.286 12.772 ( -0.000 -0.000 -2.974) 2.974 12.772 ( -0.000 -0.000 -2.974) 2.974 23.074 ( 0.000 0.000 12.291) 12.291 23.584 ( -0.000 -0.000 -14.387) 14.387 24.018 ( -0.000 -0.000 -1.060) 1.060 24.018 ( -0.000 -0.000 -1.060) 1.060 24.897 ( 0.000 0.000 2.237) 2.237 24.897 ( 0.000 0.000 2.237) 2.237 28.161 ( 0.000 0.000 14.075) 14.075 28.364 ( -0.000 -0.000 -0.338) 0.338 28.364 ( -0.000 -0.000 -0.338) 0.338 28.662 ( -0.000 -0.000 -12.258) 12.258 28.795 ( 0.000 0.000 0.800) 0.800 28.795 ( 0.000 0.000 0.800) 0.800 29.837 ( 0.000 0.000 1.779) 1.779 29.903 ( -0.000 -0.000 -1.861) 1.861 30.306 ( 0.000 0.000 3.364) 3.364 30.428 ( -0.000 -0.000 -3.321) 3.321 42.733 ( 0.000 0.000 7.585) 7.585 43.016 ( -0.000 -0.000 -0.583) 0.583 43.016 ( -0.000 -0.000 -0.583) 0.583 43.023 ( -0.000 -0.000 -7.425) 7.425 43.278 ( 0.000 0.000 0.482) 0.482 43.278 ( 0.000 0.000 0.482) 0.482 50.134 ( 0.000 0.000 1.063) 1.063 50.251 ( -0.000 -0.000 -4.940) 4.940 50.613 ( 0.000 0.000 4.661) 4.661 50.711 ( -0.000 -0.000 -0.458) 0.458 85.486 ( -0.000 -0.000 -2.038) 2.038 85.486 ( -0.000 -0.000 -2.038) 2.038 85.990 ( 0.000 0.000 2.414) 2.414 85.990 ( 0.000 0.000 2.414) 2.414 86.650 ( 0.000 0.000 11.758) 11.758 87.117 ( -0.000 -0.000 -12.471) 12.471 95.031 ( 0.000 0.000 1.926) 1.926 95.100 ( -0.000 -0.000 -1.667) 1.667 97.015 ( -0.000 -0.000 -0.723) 0.723 97.015 ( -0.000 -0.000 -0.723) 0.723 97.214 ( 0.000 0.000 0.954) 0.954 97.214 ( 0.000 0.000 0.954) 0.954 97.406 ( 0.000 0.000 1.296) 1.296 97.435 ( -0.000 -0.000 -0.203) 0.203 98.264 ( 0.000 0.000 1.675) 1.675 98.343 ( -0.000 -0.000 -2.433) 2.433 ======================= Grid point 252 (84/86) ======================= q-point: ( 0.38 0.62 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -5.133 0.268 0.000) 5.140 1.478 ( 6.947 -1.338 -0.000) 7.075 1.871 ( -4.950 -5.309 0.000) 7.259 2.025 ( -1.323 -6.076 -0.000) 6.219 2.031 ( 4.024 0.166 -0.000) 4.028 2.159 ( 14.941 -4.526 -0.000) 15.612 2.231 ( -0.756 -2.541 -0.000) 2.651 2.333 ( 6.303 0.282 -0.000) 6.309 2.491 ( 2.771 3.386 -0.000) 4.375 2.649 ( -1.382 2.541 0.000) 2.892 2.669 ( -7.587 -1.921 0.000) 7.826 2.785 ( 4.477 -8.935 -0.000) 9.994 2.917 ( -1.611 0.865 0.000) 1.829 2.933 ( -0.092 -0.293 -0.000) 0.307 3.110 ( 4.301 -1.367 -0.000) 4.513 3.123 ( 8.767 6.418 -0.000) 10.865 3.284 ( -8.524 -6.264 0.000) 10.578 3.423 ( 6.827 -7.577 -0.000) 10.199 3.737 ( 7.693 0.541 -0.000) 7.712 3.805 ( 4.588 -10.880 -0.000) 11.807 5.025 ( -3.671 5.689 0.000) 6.771 5.082 ( -3.798 2.349 0.000) 4.466 6.646 ( 2.378 3.686 -0.000) 4.386 6.694 ( -2.620 -5.595 0.000) 6.178 6.787 ( 2.474 4.992 -0.000) 5.571 6.799 ( -4.169 -0.595 0.000) 4.211 7.406 ( -6.139 8.508 0.000) 10.492 7.466 ( -5.244 2.720 0.000) 5.908 9.390 ( -0.626 -2.631 -0.000) 2.705 9.447 ( 5.589 -2.187 -0.000) 6.001 10.925 ( 0.441 0.486 -0.000) 0.656 10.955 ( 1.466 -2.251 -0.000) 2.686 11.125 ( 0.515 1.414 0.000) 1.505 11.135 ( 0.456 -0.978 -0.000) 1.079 11.326 ( -6.191 6.227 0.000) 8.781 11.496 ( -0.624 -1.544 -0.000) 1.666 12.405 ( -0.630 -0.440 0.000) 0.768 12.533 ( 1.636 -4.004 -0.000) 4.325 12.639 ( 3.921 1.910 -0.000) 4.361 12.690 ( 1.166 -1.263 -0.000) 1.719 12.783 ( 1.430 -1.367 -0.000) 1.979 12.837 ( 2.196 -4.184 -0.000) 4.725 23.294 ( -3.484 -1.356 0.000) 3.738 23.302 ( 1.640 3.141 -0.000) 3.544 24.032 ( -0.609 -3.035 -0.000) 3.096 24.035 ( 3.119 0.529 -0.000) 3.163 24.857 ( -1.618 3.503 0.000) 3.859 24.859 ( -3.404 1.529 0.000) 3.731 28.203 ( -7.703 0.987 0.000) 7.766 28.322 ( 5.252 7.598 -0.000) 9.237 28.515 ( 0.431 -6.401 -0.000) 6.416 28.588 ( 4.791 -4.117 -0.000) 6.317 28.779 ( -1.009 -0.913 0.000) 1.361 28.857 ( 3.175 -1.811 -0.000) 3.655 29.892 ( 0.253 -1.579 -0.000) 1.599 29.930 ( 2.623 -1.515 -0.000) 3.030 30.303 ( -2.281 3.755 0.000) 4.394 30.317 ( -2.945 1.397 0.000) 3.260 42.772 ( -3.673 2.071 0.000) 4.217 42.835 ( -0.411 3.046 0.000) 3.074 43.041 ( -0.148 -2.815 -0.000) 2.819 43.125 ( 4.332 -2.103 -0.000) 4.815 43.294 ( 1.535 0.756 -0.000) 1.712 43.297 ( -0.640 -1.923 -0.000) 2.026 50.183 ( 0.663 -0.347 -0.000) 0.748 50.184 ( 0.374 -0.709 -0.000) 0.802 50.656 ( -1.341 1.087 0.000) 1.726 50.657 ( -1.039 1.310 0.000) 1.672 85.508 ( 1.248 -2.314 -0.000) 2.629 85.566 ( 4.014 -3.479 -0.000) 5.312 86.002 ( 0.516 2.206 0.000) 2.266 86.019 ( -1.582 -2.508 0.000) 2.965 86.949 ( 11.673 5.105 -0.000) 12.741 87.116 ( 1.501 -16.360 -0.000) 16.428 95.092 ( 1.567 -0.944 -0.000) 1.830 95.097 ( 1.138 -1.830 -0.000) 2.155 96.540 ( -7.059 22.248 0.000) 23.341 96.545 ( -24.500 8.020 0.000) 25.780 97.181 ( 3.686 -0.755 -0.000) 3.762 97.233 ( 1.792 -2.056 -0.000) 2.728 97.598 ( -6.066 3.945 0.000) 7.236 97.740 ( 6.925 -3.612 -0.000) 7.810 98.348 ( 3.860 -12.514 -0.000) 13.095 98.479 ( 11.362 -5.208 -0.000) 12.498 ======================= Grid point 257 (85/86) ======================= q-point: ( 0.44 0.56 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -0.616 2.719 0.000) 2.788 1.441 ( 4.905 -2.939 -0.000) 5.718 1.900 ( 3.163 8.296 0.000) 8.879 1.962 ( 2.217 -0.739 -0.000) 2.337 2.001 ( 10.810 -6.467 -0.000) 12.597 2.046 ( 5.373 0.028 -0.000) 5.373 2.228 ( -3.248 2.878 0.000) 4.339 2.302 ( 0.108 -4.100 -0.000) 4.102 2.535 ( 1.724 -6.409 -0.000) 6.636 2.621 ( 7.594 6.085 -0.000) 9.731 2.677 ( -2.220 3.324 0.000) 3.997 2.752 ( 2.087 -0.813 -0.000) 2.240 2.941 ( 0.020 0.797 0.000) 0.797 2.956 ( -1.142 0.900 0.000) 1.454 3.027 ( -1.378 -2.667 0.000) 3.002 3.106 ( 5.317 -4.475 -0.000) 6.950 3.290 ( 0.698 5.024 0.000) 5.072 3.434 ( 5.967 0.812 -0.000) 6.022 3.611 ( 3.173 -2.891 -0.000) 4.292 3.752 ( 10.288 1.302 -0.000) 10.370 5.086 ( -5.518 -1.813 0.000) 5.808 5.103 ( -3.771 1.658 0.000) 4.120 6.623 ( -3.194 -1.027 0.000) 3.355 6.695 ( 1.843 1.537 -0.000) 2.400 6.784 ( -2.145 -0.973 0.000) 2.355 6.844 ( 1.901 0.292 -0.000) 1.923 7.482 ( -7.771 -1.374 0.000) 7.892 7.508 ( -5.338 1.433 0.000) 5.527 9.377 ( 1.303 1.376 -0.000) 1.895 9.410 ( 4.660 -1.411 -0.000) 4.869 10.926 ( 1.525 -0.627 -0.000) 1.649 10.934 ( 2.233 0.595 -0.000) 2.311 11.123 ( -1.854 -0.258 0.000) 1.872 11.133 ( -1.045 -0.104 0.000) 1.051 11.436 ( -4.816 -4.383 0.000) 6.511 11.453 ( -3.589 4.962 0.000) 6.124 12.437 ( 2.619 4.063 -0.000) 4.833 12.450 ( 2.794 -3.657 -0.000) 4.602 12.660 ( -0.031 -2.238 -0.000) 2.238 12.668 ( 1.767 1.085 -0.000) 2.074 12.775 ( 2.837 -1.270 -0.000) 3.108 12.792 ( 4.072 1.887 -0.000) 4.488 23.283 ( -3.357 0.234 0.000) 3.366 23.333 ( 1.453 -0.218 -0.000) 1.470 24.001 ( -0.638 0.076 0.000) 0.643 24.040 ( 3.017 -0.077 -0.000) 3.018 24.874 ( -4.172 -0.082 0.000) 4.173 24.894 ( -2.321 0.080 0.000) 2.323 28.240 ( -7.307 2.850 0.000) 7.843 28.362 ( 0.138 -7.665 -0.000) 7.666 28.472 ( 4.804 6.358 -0.000) 7.969 28.527 ( 5.863 -1.800 -0.000) 6.134 28.798 ( -0.453 2.375 0.000) 2.418 28.814 ( 1.206 -2.204 -0.000) 2.512 29.888 ( 1.633 1.176 -0.000) 2.012 29.901 ( 2.814 -1.110 -0.000) 3.025 30.330 ( -3.460 -0.283 0.000) 3.471 30.345 ( -1.936 0.307 0.000) 1.960 42.817 ( -4.426 2.006 0.000) 4.859 42.841 ( -2.760 -2.530 0.000) 3.744 43.043 ( 2.298 3.113 -0.000) 3.870 43.073 ( 4.397 -2.691 -0.000) 5.155 43.276 ( -0.597 -0.026 0.000) 0.598 43.303 ( 1.789 0.120 -0.000) 1.793 50.177 ( 0.301 -0.024 -0.000) 0.302 50.181 ( 0.620 0.029 -0.000) 0.621 50.668 ( -1.328 0.024 0.000) 1.328 50.671 ( -1.070 -0.028 0.000) 1.070 85.502 ( 3.392 1.753 -0.000) 3.818 85.514 ( 4.155 -1.614 -0.000) 4.458 85.990 ( -2.226 -0.100 0.000) 2.228 86.030 ( 1.137 0.510 -0.000) 1.246 86.887 ( 0.315 -5.147 -0.000) 5.157 87.048 ( 16.158 4.592 -0.000) 16.798 95.078 ( 1.112 -0.087 -0.000) 1.116 95.084 ( 1.786 0.104 -0.000) 1.789 96.628 ( -24.898 -0.526 0.000) 24.904 96.949 ( -14.059 10.629 0.000) 17.624 97.034 ( -0.654 -12.538 -0.000) 12.555 97.195 ( -2.286 1.854 0.000) 2.943 97.623 ( 8.686 2.283 -0.000) 8.981 97.672 ( 9.109 -2.666 -0.000) 9.491 98.300 ( 1.387 5.760 0.000) 5.924 98.370 ( 9.339 -4.811 -0.000) 10.505 ======================= Grid point 297 (86/86) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.000 0.000 0.000) 0.000 1.386 ( 0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 1.983 ( -0.000 -0.000 -17.605) 17.605 1.983 ( 0.000 0.000 17.605) 17.605 2.316 ( -0.000 -0.000 -0.119) 0.119 2.316 ( 0.000 0.000 0.119) 0.119 2.486 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 3.022 ( -0.000 -0.000 -3.748) 3.748 3.022 ( 0.000 0.000 3.748) 3.748 3.373 ( -0.000 -0.000 -2.168) 2.168 3.373 ( 0.000 0.000 2.168) 2.168 3.580 ( 0.000 0.000 0.000) 0.000 3.580 ( 0.000 0.000 0.000) 0.000 5.142 ( -0.000 -0.000 -7.143) 7.143 5.142 ( 0.000 0.000 7.143) 7.143 6.657 ( 0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 7.563 ( -0.000 -0.000 -7.254) 7.254 7.563 ( 0.000 0.000 7.254) 7.254 9.364 ( -0.000 -0.000 -0.328) 0.328 9.364 ( 0.000 0.000 0.328) 0.328 10.910 ( 0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.494 ( -0.000 -0.000 -3.239) 3.239 11.494 ( 0.000 0.000 3.239) 3.239 12.406 ( 0.000 0.000 0.000) 0.000 12.406 ( 0.000 0.000 0.000) 0.000 12.663 ( -0.000 -0.000 -3.595) 3.595 12.663 ( 0.000 0.000 3.595) 3.595 12.742 ( 0.000 0.000 0.000) 0.000 12.742 ( 0.000 0.000 0.000) 0.000 23.319 ( -0.000 -0.000 -14.222) 14.222 23.319 ( 0.000 0.000 14.222) 14.222 24.008 ( 0.000 0.000 0.000) 0.000 24.008 ( 0.000 0.000 0.000) 0.000 24.919 ( 0.000 0.000 0.000) 0.000 24.919 ( 0.000 0.000 0.000) 0.000 28.361 ( 0.000 0.000 0.000) 0.000 28.361 ( 0.000 0.000 0.000) 0.000 28.420 ( -0.000 -0.000 -13.930) 13.930 28.420 ( 0.000 0.000 13.930) 13.930 28.803 ( 0.000 0.000 0.000) 0.000 28.803 ( 0.000 0.000 0.000) 0.000 29.870 ( -0.000 -0.000 -1.808) 1.808 29.870 ( 0.000 0.000 1.808) 1.808 30.367 ( -0.000 -0.000 -3.346) 3.346 30.367 ( 0.000 0.000 3.346) 3.346 42.879 ( -0.000 -0.000 -8.137) 8.137 42.879 ( 0.000 0.000 8.137) 8.137 43.011 ( 0.000 0.000 0.000) 0.000 43.011 ( 0.000 0.000 0.000) 0.000 43.283 ( 0.000 0.000 0.000) 0.000 43.283 ( 0.000 0.000 0.000) 0.000 50.174 ( -0.000 -0.000 -3.282) 3.282 50.174 ( 0.000 0.000 3.282) 3.282 50.682 ( -0.000 -0.000 -2.749) 2.749 50.682 ( 0.000 0.000 2.749) 2.749 85.467 ( 0.000 0.000 0.000) 0.000 85.467 ( 0.000 0.000 0.000) 0.000 86.012 ( 0.000 0.000 0.000) 0.000 86.012 ( 0.000 0.000 0.000) 0.000 86.880 ( -0.000 -0.000 -13.091) 13.091 86.880 ( 0.000 0.000 13.091) 13.091 95.067 ( -0.000 -0.000 -1.901) 1.901 95.067 ( 0.000 0.000 1.901) 1.901 97.009 ( 0.000 0.000 0.000) 0.000 97.009 ( 0.000 0.000 0.000) 0.000 97.223 ( 0.000 0.000 0.000) 0.000 97.223 ( 0.000 0.000 0.000) 0.000 97.425 ( -0.000 -0.000 -0.811) 0.811 97.425 ( 0.000 0.000 0.811) 0.811 98.300 ( -0.000 -0.000 -2.240) 2.240 98.300 ( 0.000 0.000 2.240) 2.240 =================== 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 3/43008 10.0 4.640 4.640 3.529 0.000 0.000 0.000 3/43008 20.0 0.933 0.933 0.546 0.000 0.000 0.000 3/43008 30.0 0.532 0.532 0.275 0.000 0.000 0.000 3/43008 40.0 0.398 0.398 0.191 0.000 0.000 0.000 3/43008 50.0 0.328 0.328 0.150 0.000 0.000 0.000 3/43008 60.0 0.282 0.282 0.125 0.000 0.000 0.000 3/43008 70.0 0.249 0.249 0.109 0.000 0.000 0.000 3/43008 80.0 0.224 0.224 0.096 0.000 0.000 0.000 3/43008 90.0 0.204 0.204 0.087 0.000 0.000 0.000 3/43008 100.0 0.188 0.188 0.079 0.000 0.000 0.000 3/43008 110.0 0.174 0.174 0.073 0.000 0.000 0.000 3/43008 120.0 0.162 0.162 0.068 0.000 0.000 0.000 3/43008 130.0 0.152 0.152 0.064 0.000 0.000 0.000 3/43008 140.0 0.144 0.144 0.060 0.000 0.000 0.000 3/43008 150.0 0.136 0.136 0.057 0.000 0.000 0.000 3/43008 160.0 0.129 0.129 0.054 0.000 0.000 0.000 3/43008 170.0 0.123 0.123 0.051 0.000 0.000 0.000 3/43008 180.0 0.117 0.117 0.049 0.000 0.000 0.000 3/43008 190.0 0.112 0.112 0.047 0.000 0.000 0.000 3/43008 200.0 0.108 0.108 0.046 0.000 0.000 0.000 3/43008 210.0 0.104 0.104 0.044 0.000 0.000 0.000 3/43008 220.0 0.100 0.100 0.043 0.000 0.000 0.000 3/43008 230.0 0.097 0.097 0.042 0.000 0.000 0.000 3/43008 240.0 0.093 0.093 0.041 0.000 0.000 0.000 3/43008 250.0 0.090 0.090 0.040 0.000 0.000 0.000 3/43008 260.0 0.088 0.088 0.039 0.000 0.000 0.000 3/43008 270.0 0.085 0.085 0.038 0.000 0.000 0.000 3/43008 280.0 0.083 0.083 0.037 0.000 0.000 0.000 3/43008 290.0 0.080 0.080 0.036 0.000 0.000 0.000 3/43008 300.0 0.078 0.078 0.036 0.000 0.000 0.000 3/43008 310.0 0.076 0.076 0.035 0.000 0.000 0.000 3/43008 320.0 0.074 0.074 0.034 0.000 0.000 0.000 3/43008 330.0 0.073 0.073 0.034 0.000 0.000 0.000 3/43008 340.0 0.071 0.071 0.033 0.000 0.000 0.000 3/43008 350.0 0.069 0.069 0.033 0.000 0.000 0.000 3/43008 360.0 0.068 0.068 0.032 0.000 0.000 0.000 3/43008 370.0 0.066 0.066 0.032 0.000 0.000 0.000 3/43008 380.0 0.065 0.065 0.031 0.000 0.000 0.000 3/43008 390.0 0.064 0.064 0.031 0.000 0.000 0.000 3/43008 400.0 0.062 0.062 0.031 0.000 0.000 0.000 3/43008 410.0 0.061 0.061 0.030 0.000 0.000 0.000 3/43008 420.0 0.060 0.060 0.030 0.000 0.000 0.000 3/43008 430.0 0.059 0.059 0.030 0.000 0.000 0.000 3/43008 440.0 0.058 0.058 0.029 0.000 0.000 0.000 3/43008 450.0 0.057 0.057 0.029 0.000 0.000 0.000 3/43008 460.0 0.056 0.056 0.029 0.000 0.000 0.000 3/43008 470.0 0.055 0.055 0.028 0.000 0.000 0.000 3/43008 480.0 0.054 0.054 0.028 0.000 0.000 0.000 3/43008 490.0 0.053 0.053 0.028 0.000 0.000 0.000 3/43008 500.0 0.052 0.052 0.027 0.000 0.000 0.000 3/43008 510.0 0.052 0.052 0.027 0.000 0.000 0.000 3/43008 520.0 0.051 0.051 0.027 0.000 0.000 0.000 3/43008 530.0 0.050 0.050 0.027 0.000 0.000 0.000 3/43008 540.0 0.049 0.049 0.026 0.000 0.000 0.000 3/43008 550.0 0.049 0.049 0.026 0.000 0.000 0.000 3/43008 560.0 0.048 0.048 0.026 0.000 0.000 0.000 3/43008 570.0 0.047 0.047 0.026 0.000 0.000 0.000 3/43008 580.0 0.047 0.047 0.025 0.000 0.000 0.000 3/43008 590.0 0.046 0.046 0.025 0.000 0.000 0.000 3/43008 600.0 0.046 0.046 0.025 0.000 0.000 0.000 3/43008 610.0 0.045 0.045 0.025 0.000 0.000 0.000 3/43008 620.0 0.044 0.044 0.025 0.000 0.000 0.000 3/43008 630.0 0.044 0.044 0.024 0.000 0.000 0.000 3/43008 640.0 0.043 0.043 0.024 0.000 0.000 0.000 3/43008 650.0 0.043 0.043 0.024 0.000 0.000 0.000 3/43008 660.0 0.042 0.042 0.024 0.000 0.000 0.000 3/43008 670.0 0.042 0.042 0.024 0.000 0.000 0.000 3/43008 680.0 0.042 0.042 0.023 0.000 0.000 0.000 3/43008 690.0 0.041 0.041 0.023 0.000 0.000 0.000 3/43008 700.0 0.041 0.041 0.023 0.000 0.000 0.000 3/43008 710.0 0.040 0.040 0.023 0.000 0.000 0.000 3/43008 720.0 0.040 0.040 0.023 0.000 0.000 0.000 3/43008 730.0 0.040 0.040 0.023 0.000 0.000 0.000 3/43008 740.0 0.039 0.039 0.022 0.000 0.000 0.000 3/43008 750.0 0.039 0.039 0.022 0.000 0.000 0.000 3/43008 760.0 0.039 0.039 0.022 0.000 0.000 0.000 3/43008 770.0 0.038 0.038 0.022 0.000 0.000 0.000 3/43008 780.0 0.038 0.038 0.022 0.000 0.000 0.000 3/43008 790.0 0.038 0.038 0.022 0.000 0.000 0.000 3/43008 800.0 0.037 0.037 0.022 0.000 0.000 0.000 3/43008 810.0 0.037 0.037 0.021 0.000 0.000 0.000 3/43008 820.0 0.037 0.037 0.021 0.000 0.000 0.000 3/43008 830.0 0.036 0.036 0.021 0.000 0.000 0.000 3/43008 840.0 0.036 0.036 0.021 0.000 0.000 0.000 3/43008 850.0 0.036 0.036 0.021 0.000 0.000 0.000 3/43008 860.0 0.035 0.035 0.021 0.000 0.000 0.000 3/43008 870.0 0.035 0.035 0.021 0.000 0.000 0.000 3/43008 880.0 0.035 0.035 0.021 0.000 0.000 0.000 3/43008 890.0 0.035 0.035 0.020 0.000 0.000 0.000 3/43008 900.0 0.034 0.034 0.020 0.000 0.000 0.000 3/43008 910.0 0.034 0.034 0.020 0.000 0.000 0.000 3/43008 920.0 0.034 0.034 0.020 0.000 0.000 0.000 3/43008 930.0 0.034 0.034 0.020 0.000 0.000 0.000 3/43008 940.0 0.034 0.034 0.020 0.000 0.000 0.000 3/43008 950.0 0.033 0.033 0.020 0.000 0.000 0.000 3/43008 960.0 0.033 0.033 0.020 0.000 0.000 0.000 3/43008 970.0 0.033 0.033 0.020 0.000 0.000 0.000 3/43008 980.0 0.033 0.033 0.019 0.000 0.000 0.000 3/43008 990.0 0.033 0.033 0.019 0.000 0.000 0.000 3/43008 1000.0 0.032 0.032 0.019 0.000 0.000 0.000 3/43008 Thermal conductivity related properties were written into "kappa-m4816.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:51:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|