----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:42:49]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.588539336575345 1.494493882779708 5.778070646666660 b -2.588539336575340 1.494493882779708 5.778070646666660 c 0.000000000000003 -2.988987765559420 5.778070646666660 Atomic positions (fractional): *1 C 0.40340666757278 0.40340666757279 0.40340666757279 12.011 2 C 0.59659333242722 0.59659333242722 0.59659333242722 12.011 *3 O 0.30610262402260 0.73987916130539 0.73987916130538 15.999 4 O 0.73987916130538 0.30610262402260 0.73987916130538 15.999 5 O 0.73987916130538 0.73987916130539 0.30610262402260 15.999 6 O 0.26012083869461 0.26012083869462 0.69389737597740 15.999 7 O 0.26012083869461 0.69389737597740 0.26012083869461 15.999 8 O 0.69389737597740 0.26012083869462 0.26012083869461 15.999 *9 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 *10 K 0.21053338413091 0.21053338413092 0.21053338413091 39.098 11 K 0.78946661586909 0.78946661586909 0.78946661586909 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.177078673150686 0.000000000000000 0.000000000000000 b -2.588539336575343 4.483481648339128 0.000000000000000 c 0.000000000000000 0.000000000000000 17.334211939999999 Atomic positions (fractional): *1 C 0.66666666666667 0.33333333333333 0.73674000090612 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.92992666576055 12.011 > 2 3 C 0.33333333333333 0.66666666666667 0.07007333423945 12.011 > 1 4 C 0.33333333333333 0.66666666666667 0.26325999909388 12.011 > 2 5 C 0.00000000000000 0.00000000000000 0.40340666757278 12.011 > 1 6 C 0.00000000000000 0.00000000000000 0.59659333242722 12.011 > 2 *7 O 0.37748230847814 0.18874115423907 0.92862031554446 15.999 > 3 8 O 0.81125884576093 0.18874115423907 0.92862031554446 15.999 > 4 9 O 0.81125884576093 0.62251769152186 0.92862031554446 15.999 > 5 10 O 0.52207448757241 0.04414897514481 0.73804635112221 15.999 > 6 11 O 0.52207448757241 0.47792551242760 0.73804635112221 15.999 > 7 12 O 0.95585102485519 0.47792551242760 0.73804635112221 15.999 > 8 13 O 0.04414897514481 0.52207448757241 0.26195364887779 15.999 > 3 14 O 0.47792551242760 0.52207448757241 0.26195364887779 15.999 > 4 15 O 0.47792551242760 0.95585102485519 0.26195364887779 15.999 > 5 16 O 0.18874115423907 0.37748230847814 0.07137968445554 15.999 > 6 17 O 0.18874115423907 0.81125884576093 0.07137968445554 15.999 > 7 18 O 0.62251769152186 0.81125884576093 0.07137968445554 15.999 > 8 19 O 0.71081564181148 0.85540782090574 0.59528698221112 15.999 > 3 20 O 0.14459217909426 0.85540782090574 0.59528698221112 15.999 > 4 21 O 0.14459217909426 0.28918435818852 0.59528698221112 15.999 > 5 22 O 0.85540782090574 0.71081564181148 0.40471301778888 15.999 > 6 23 O 0.85540782090574 0.14459217909426 0.40471301778888 15.999 > 7 24 O 0.28918435818852 0.14459217909426 0.40471301778888 15.999 > 8 *25 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 9 26 Mg 0.66666666666667 0.33333333333333 0.33333333333333 24.305 > 9 27 Mg 0.33333333333333 0.66666666666667 0.66666666666667 24.305 > 9 *28 K 0.33333333333333 0.66666666666667 0.87720005079758 39.098 > 10 29 K 0.00000000000000 0.00000000000000 0.78946661586909 39.098 > 11 30 K 0.00000000000000 0.00000000000000 0.21053338413091 39.098 > 10 31 K 0.66666666666667 0.33333333333333 0.12279994920242 39.098 > 11 32 K 0.66666666666667 0.33333333333333 0.54386671746425 39.098 > 10 33 K 0.33333333333333 0.66666666666667 0.45613328253575 39.098 > 11 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.354157346301372 0.000000000000000 0.000000000000000 b -5.177078673150686 8.966963296678257 0.000000000000000 c 0.000000000000000 0.000000000000000 17.334211939999999 Atomic positions (fractional): *1 C 0.33333333333333 0.16666666666667 0.73674000090612 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.73674000090612 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.73674000090612 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.73674000090612 12.011 > 1 5 C 0.33333333333333 0.16666666666667 0.92992666576055 12.011 > 2 6 C 0.83333333333333 0.16666666666667 0.92992666576055 12.011 > 2 7 C 0.33333333333333 0.66666666666667 0.92992666576055 12.011 > 2 8 C 0.83333333333333 0.66666666666667 0.92992666576055 12.011 > 2 9 C 0.16666666666667 0.33333333333333 0.07007333423945 12.011 > 1 10 C 0.66666666666667 0.33333333333333 0.07007333423945 12.011 > 1 11 C 0.16666666666667 0.83333333333333 0.07007333423945 12.011 > 1 12 C 0.66666666666667 0.83333333333333 0.07007333423945 12.011 > 1 13 C 0.16666666666667 0.33333333333333 0.26325999909388 12.011 > 2 14 C 0.66666666666667 0.33333333333333 0.26325999909388 12.011 > 2 15 C 0.16666666666667 0.83333333333333 0.26325999909388 12.011 > 2 16 C 0.66666666666667 0.83333333333333 0.26325999909388 12.011 > 2 17 C 0.00000000000000 0.00000000000000 0.40340666757278 12.011 > 1 18 C 0.50000000000000 0.00000000000000 0.40340666757278 12.011 > 1 19 C 0.00000000000000 0.50000000000000 0.40340666757278 12.011 > 1 20 C 0.50000000000000 0.50000000000000 0.40340666757278 12.011 > 1 21 C 0.00000000000000 0.00000000000000 0.59659333242722 12.011 > 2 22 C 0.50000000000000 0.00000000000000 0.59659333242722 12.011 > 2 23 C 0.00000000000000 0.50000000000000 0.59659333242722 12.011 > 2 24 C 0.50000000000000 0.50000000000000 0.59659333242722 12.011 > 2 *25 O 0.18874115423907 0.09437057711954 0.92862031554446 15.999 > 3 26 O 0.68874115423907 0.09437057711954 0.92862031554446 15.999 > 3 27 O 0.18874115423907 0.59437057711954 0.92862031554446 15.999 > 3 28 O 0.68874115423907 0.59437057711954 0.92862031554446 15.999 > 3 29 O 0.40562942288046 0.09437057711954 0.92862031554446 15.999 > 4 30 O 0.90562942288046 0.09437057711954 0.92862031554446 15.999 > 4 31 O 0.40562942288046 0.59437057711954 0.92862031554446 15.999 > 4 32 O 0.90562942288046 0.59437057711954 0.92862031554446 15.999 > 4 33 O 0.40562942288046 0.31125884576093 0.92862031554446 15.999 > 5 34 O 0.90562942288046 0.31125884576093 0.92862031554446 15.999 > 5 35 O 0.40562942288046 0.81125884576093 0.92862031554446 15.999 > 5 36 O 0.90562942288046 0.81125884576093 0.92862031554446 15.999 > 5 37 O 0.26103724378620 0.02207448757240 0.73804635112221 15.999 > 6 38 O 0.76103724378620 0.02207448757240 0.73804635112221 15.999 > 6 39 O 0.26103724378620 0.52207448757240 0.73804635112221 15.999 > 6 40 O 0.76103724378620 0.52207448757240 0.73804635112221 15.999 > 6 41 O 0.26103724378620 0.23896275621380 0.73804635112221 15.999 > 7 42 O 0.76103724378620 0.23896275621380 0.73804635112221 15.999 > 7 43 O 0.26103724378620 0.73896275621380 0.73804635112221 15.999 > 7 44 O 0.76103724378620 0.73896275621380 0.73804635112221 15.999 > 7 45 O 0.47792551242760 0.23896275621380 0.73804635112221 15.999 > 8 46 O 0.97792551242760 0.23896275621380 0.73804635112221 15.999 > 8 47 O 0.47792551242760 0.73896275621380 0.73804635112221 15.999 > 8 48 O 0.97792551242760 0.73896275621380 0.73804635112221 15.999 > 8 49 O 0.02207448757240 0.26103724378620 0.26195364887779 15.999 > 3 50 O 0.52207448757240 0.26103724378620 0.26195364887779 15.999 > 3 51 O 0.02207448757240 0.76103724378620 0.26195364887779 15.999 > 3 52 O 0.52207448757240 0.76103724378620 0.26195364887779 15.999 > 3 53 O 0.23896275621380 0.26103724378620 0.26195364887779 15.999 > 4 54 O 0.73896275621380 0.26103724378620 0.26195364887779 15.999 > 4 55 O 0.23896275621380 0.76103724378620 0.26195364887779 15.999 > 4 56 O 0.73896275621380 0.76103724378620 0.26195364887779 15.999 > 4 57 O 0.23896275621380 0.47792551242760 0.26195364887779 15.999 > 5 58 O 0.73896275621380 0.47792551242760 0.26195364887779 15.999 > 5 59 O 0.23896275621380 0.97792551242760 0.26195364887779 15.999 > 5 60 O 0.73896275621380 0.97792551242760 0.26195364887779 15.999 > 5 61 O 0.09437057711954 0.18874115423907 0.07137968445554 15.999 > 6 62 O 0.59437057711954 0.18874115423907 0.07137968445554 15.999 > 6 63 O 0.09437057711954 0.68874115423907 0.07137968445554 15.999 > 6 64 O 0.59437057711954 0.68874115423907 0.07137968445554 15.999 > 6 65 O 0.09437057711954 0.40562942288046 0.07137968445554 15.999 > 7 66 O 0.59437057711954 0.40562942288046 0.07137968445554 15.999 > 7 67 O 0.09437057711954 0.90562942288046 0.07137968445554 15.999 > 7 68 O 0.59437057711954 0.90562942288046 0.07137968445554 15.999 > 7 69 O 0.31125884576093 0.40562942288046 0.07137968445554 15.999 > 8 70 O 0.81125884576093 0.40562942288046 0.07137968445554 15.999 > 8 71 O 0.31125884576093 0.90562942288046 0.07137968445554 15.999 > 8 72 O 0.81125884576093 0.90562942288046 0.07137968445554 15.999 > 8 73 O 0.35540782090574 0.42770391045287 0.59528698221112 15.999 > 3 74 O 0.85540782090574 0.42770391045287 0.59528698221112 15.999 > 3 75 O 0.35540782090574 0.92770391045287 0.59528698221112 15.999 > 3 76 O 0.85540782090574 0.92770391045287 0.59528698221112 15.999 > 3 77 O 0.07229608954713 0.42770391045287 0.59528698221112 15.999 > 4 78 O 0.57229608954713 0.42770391045287 0.59528698221112 15.999 > 4 79 O 0.07229608954713 0.92770391045287 0.59528698221112 15.999 > 4 80 O 0.57229608954713 0.92770391045287 0.59528698221112 15.999 > 4 81 O 0.07229608954713 0.14459217909426 0.59528698221112 15.999 > 5 82 O 0.57229608954713 0.14459217909426 0.59528698221112 15.999 > 5 83 O 0.07229608954713 0.64459217909426 0.59528698221112 15.999 > 5 84 O 0.57229608954713 0.64459217909426 0.59528698221112 15.999 > 5 85 O 0.42770391045287 0.35540782090574 0.40471301778888 15.999 > 6 86 O 0.92770391045287 0.35540782090574 0.40471301778888 15.999 > 6 87 O 0.42770391045287 0.85540782090574 0.40471301778888 15.999 > 6 88 O 0.92770391045287 0.85540782090574 0.40471301778888 15.999 > 6 89 O 0.42770391045287 0.07229608954713 0.40471301778888 15.999 > 7 90 O 0.92770391045287 0.07229608954713 0.40471301778888 15.999 > 7 91 O 0.42770391045287 0.57229608954713 0.40471301778888 15.999 > 7 92 O 0.92770391045287 0.57229608954713 0.40471301778888 15.999 > 7 93 O 0.14459217909426 0.07229608954713 0.40471301778888 15.999 > 8 94 O 0.64459217909426 0.07229608954713 0.40471301778888 15.999 > 8 95 O 0.14459217909426 0.57229608954713 0.40471301778888 15.999 > 8 96 O 0.64459217909426 0.57229608954713 0.40471301778888 15.999 > 8 *97 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 9 98 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 9 99 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 9 100 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 9 101 Mg 0.33333333333333 0.16666666666667 0.33333333333333 24.305 > 9 102 Mg 0.83333333333333 0.16666666666667 0.33333333333333 24.305 > 9 103 Mg 0.33333333333333 0.66666666666667 0.33333333333333 24.305 > 9 104 Mg 0.83333333333333 0.66666666666667 0.33333333333333 24.305 > 9 105 Mg 0.16666666666667 0.33333333333333 0.66666666666667 24.305 > 9 106 Mg 0.66666666666667 0.33333333333333 0.66666666666667 24.305 > 9 107 Mg 0.16666666666667 0.83333333333333 0.66666666666667 24.305 > 9 108 Mg 0.66666666666667 0.83333333333333 0.66666666666667 24.305 > 9 *109 K 0.16666666666667 0.33333333333333 0.87720005079758 39.098 > 10 110 K 0.66666666666667 0.33333333333333 0.87720005079758 39.098 > 10 111 K 0.16666666666667 0.83333333333333 0.87720005079758 39.098 > 10 112 K 0.66666666666667 0.83333333333333 0.87720005079758 39.098 > 10 113 K 0.00000000000000 0.00000000000000 0.78946661586909 39.098 > 11 114 K 0.50000000000000 0.00000000000000 0.78946661586909 39.098 > 11 115 K 0.00000000000000 0.50000000000000 0.78946661586909 39.098 > 11 116 K 0.50000000000000 0.50000000000000 0.78946661586909 39.098 > 11 117 K 0.00000000000000 0.00000000000000 0.21053338413091 39.098 > 10 118 K 0.50000000000000 0.00000000000000 0.21053338413091 39.098 > 10 119 K 0.00000000000000 0.50000000000000 0.21053338413091 39.098 > 10 120 K 0.50000000000000 0.50000000000000 0.21053338413091 39.098 > 10 121 K 0.33333333333333 0.16666666666667 0.12279994920242 39.098 > 11 122 K 0.83333333333333 0.16666666666667 0.12279994920242 39.098 > 11 123 K 0.33333333333333 0.66666666666667 0.12279994920242 39.098 > 11 124 K 0.83333333333333 0.66666666666667 0.12279994920242 39.098 > 11 125 K 0.33333333333333 0.16666666666667 0.54386671746425 39.098 > 10 126 K 0.83333333333333 0.16666666666667 0.54386671746425 39.098 > 10 127 K 0.33333333333333 0.66666666666667 0.54386671746425 39.098 > 10 128 K 0.83333333333333 0.66666666666667 0.54386671746425 39.098 > 10 129 K 0.16666666666667 0.33333333333333 0.45613328253575 39.098 > 11 130 K 0.66666666666667 0.33333333333333 0.45613328253575 39.098 > 11 131 K 0.16666666666667 0.83333333333333 0.45613328253575 39.098 > 11 132 K 0.66666666666667 0.83333333333333 0.45613328253575 39.098 > 11 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7705716 0.0000000 0.0000000 0.0000000 2.7705716 0.0000000 0.0000000 0.0000000 2.2266137 -------------------------- Born effective charges -------------------------- 1 C 2.9623077 0.0000000 0.0000000 0.0000000 2.9623077 -0.0000000 0.0000000 0.0000000 0.2381970 2 C 2.9623077 0.0000000 0.0000000 0.0000000 2.9623077 -0.0000000 0.0000000 0.0000000 0.2381970 3 O -2.1841797 -0.6088852 0.0258903 -0.6088852 -1.4810996 0.0149478 0.0604657 0.0349099 -0.8025675 4 O -2.1841797 0.6088852 -0.0258903 0.6088852 -1.4810996 0.0149478 -0.0604657 0.0349099 -0.8025675 5 O -1.1295596 -0.0000000 -0.0000000 0.0000000 -2.5357197 -0.0298956 0.0000000 -0.0698198 -0.8025675 6 O -1.1295596 -0.0000000 -0.0000000 0.0000000 -2.5357197 -0.0298956 0.0000000 -0.0698198 -0.8025675 7 O -2.1841797 0.6088852 -0.0258903 0.6088852 -1.4810996 0.0149478 -0.0604657 0.0349099 -0.8025675 8 O -2.1841797 -0.6088852 0.0258903 -0.6088852 -1.4810996 0.0149478 0.0604657 0.0349099 -0.8025675 9 Mg 2.6018413 0.0000000 0.0000000 0.0000000 2.6018413 -0.0000000 0.0000000 0.0000000 2.0415329 10 K 1.2346906 0.0000000 0.0000000 0.0000000 1.2346906 -0.0000000 0.0000000 0.0000000 1.1487390 11 K 1.2346906 0.0000000 0.0000000 0.0000000 1.2346906 -0.0000000 0.0000000 0.0000000 1.1487390 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 8286/8286 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 638 Number of blocks in projector: 456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (638, 627), data: False |-- (124, 120), data: True |-- (230, 228), data: True |-- (284, 279), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 160 - Time: 0.226 Solver_block: 160 / 160 - Time: 0.153 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.396 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 8286/8286 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 638 Number of blocks in projector: 456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (638, 627), data: False |-- (124, 120), data: True |-- (230, 228), data: True |-- (284, 279), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:43:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:43:00]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.588539336575345 1.494493882779708 5.778070646666660 b -2.588539336575340 1.494493882779708 5.778070646666660 c 0.000000000000003 -2.988987765559420 5.778070646666660 Atomic positions (fractional): 1 C 0.40340666757278 0.40340666757279 0.40340666757279 12.011 2 C 0.59659333242722 0.59659333242722 0.59659333242722 12.011 3 O 0.30610262402260 0.73987916130539 0.73987916130538 15.999 4 O 0.73987916130538 0.30610262402260 0.73987916130538 15.999 5 O 0.73987916130538 0.73987916130539 0.30610262402260 15.999 6 O 0.26012083869461 0.26012083869462 0.69389737597740 15.999 7 O 0.26012083869461 0.69389737597740 0.26012083869461 15.999 8 O 0.69389737597740 0.26012083869462 0.26012083869461 15.999 9 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 10 K 0.21053338413091 0.21053338413092 0.21053338413091 39.098 11 K 0.78946661586909 0.78946661586909 0.78946661586909 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.354157346301372 0.000000000000000 0.000000000000000 b -5.177078673150686 8.966963296678257 0.000000000000000 c 0.000000000000000 0.000000000000000 17.334211939999999 Atomic positions (fractional): 1 C 0.33333333333333 0.16666666666667 0.73674000090612 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.73674000090612 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.73674000090612 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.73674000090612 12.011 > 1 5 C 0.33333333333333 0.16666666666667 0.92992666576055 12.011 > 5 6 C 0.83333333333333 0.16666666666667 0.92992666576055 12.011 > 5 7 C 0.33333333333333 0.66666666666667 0.92992666576055 12.011 > 5 8 C 0.83333333333333 0.66666666666667 0.92992666576055 12.011 > 5 9 C 0.16666666666667 0.33333333333333 0.07007333423945 12.011 > 1 10 C 0.66666666666667 0.33333333333333 0.07007333423945 12.011 > 1 11 C 0.16666666666667 0.83333333333333 0.07007333423945 12.011 > 1 12 C 0.66666666666667 0.83333333333333 0.07007333423945 12.011 > 1 13 C 0.16666666666667 0.33333333333333 0.26325999909388 12.011 > 5 14 C 0.66666666666667 0.33333333333333 0.26325999909388 12.011 > 5 15 C 0.16666666666667 0.83333333333333 0.26325999909388 12.011 > 5 16 C 0.66666666666667 0.83333333333333 0.26325999909388 12.011 > 5 17 C 0.00000000000000 0.00000000000000 0.40340666757278 12.011 > 1 18 C 0.50000000000000 0.00000000000000 0.40340666757278 12.011 > 1 19 C 0.00000000000000 0.50000000000000 0.40340666757278 12.011 > 1 20 C 0.50000000000000 0.50000000000000 0.40340666757278 12.011 > 1 21 C 0.00000000000000 0.00000000000000 0.59659333242722 12.011 > 5 22 C 0.50000000000000 0.00000000000000 0.59659333242722 12.011 > 5 23 C 0.00000000000000 0.50000000000000 0.59659333242722 12.011 > 5 24 C 0.50000000000000 0.50000000000000 0.59659333242722 12.011 > 5 25 O 0.18874115423907 0.09437057711954 0.92862031554446 15.999 > 25 26 O 0.68874115423907 0.09437057711954 0.92862031554446 15.999 > 25 27 O 0.18874115423907 0.59437057711954 0.92862031554446 15.999 > 25 28 O 0.68874115423907 0.59437057711954 0.92862031554446 15.999 > 25 29 O 0.40562942288046 0.09437057711954 0.92862031554446 15.999 > 29 30 O 0.90562942288046 0.09437057711954 0.92862031554446 15.999 > 29 31 O 0.40562942288046 0.59437057711954 0.92862031554446 15.999 > 29 32 O 0.90562942288046 0.59437057711954 0.92862031554446 15.999 > 29 33 O 0.40562942288046 0.31125884576093 0.92862031554446 15.999 > 33 34 O 0.90562942288046 0.31125884576093 0.92862031554446 15.999 > 33 35 O 0.40562942288046 0.81125884576093 0.92862031554446 15.999 > 33 36 O 0.90562942288046 0.81125884576093 0.92862031554446 15.999 > 33 37 O 0.26103724378620 0.02207448757240 0.73804635112221 15.999 > 37 38 O 0.76103724378620 0.02207448757240 0.73804635112221 15.999 > 37 39 O 0.26103724378620 0.52207448757240 0.73804635112221 15.999 > 37 40 O 0.76103724378620 0.52207448757240 0.73804635112221 15.999 > 37 41 O 0.26103724378620 0.23896275621380 0.73804635112221 15.999 > 41 42 O 0.76103724378620 0.23896275621380 0.73804635112221 15.999 > 41 43 O 0.26103724378620 0.73896275621380 0.73804635112221 15.999 > 41 44 O 0.76103724378620 0.73896275621380 0.73804635112221 15.999 > 41 45 O 0.47792551242760 0.23896275621380 0.73804635112221 15.999 > 45 46 O 0.97792551242760 0.23896275621380 0.73804635112221 15.999 > 45 47 O 0.47792551242760 0.73896275621380 0.73804635112221 15.999 > 45 48 O 0.97792551242760 0.73896275621380 0.73804635112221 15.999 > 45 49 O 0.02207448757240 0.26103724378620 0.26195364887779 15.999 > 25 50 O 0.52207448757240 0.26103724378620 0.26195364887779 15.999 > 25 51 O 0.02207448757240 0.76103724378620 0.26195364887779 15.999 > 25 52 O 0.52207448757240 0.76103724378620 0.26195364887779 15.999 > 25 53 O 0.23896275621380 0.26103724378620 0.26195364887779 15.999 > 29 54 O 0.73896275621380 0.26103724378620 0.26195364887779 15.999 > 29 55 O 0.23896275621380 0.76103724378620 0.26195364887779 15.999 > 29 56 O 0.73896275621380 0.76103724378620 0.26195364887779 15.999 > 29 57 O 0.23896275621380 0.47792551242760 0.26195364887779 15.999 > 33 58 O 0.73896275621380 0.47792551242760 0.26195364887779 15.999 > 33 59 O 0.23896275621380 0.97792551242760 0.26195364887779 15.999 > 33 60 O 0.73896275621380 0.97792551242760 0.26195364887779 15.999 > 33 61 O 0.09437057711954 0.18874115423907 0.07137968445554 15.999 > 37 62 O 0.59437057711954 0.18874115423907 0.07137968445554 15.999 > 37 63 O 0.09437057711954 0.68874115423907 0.07137968445554 15.999 > 37 64 O 0.59437057711954 0.68874115423907 0.07137968445554 15.999 > 37 65 O 0.09437057711954 0.40562942288046 0.07137968445554 15.999 > 41 66 O 0.59437057711954 0.40562942288046 0.07137968445554 15.999 > 41 67 O 0.09437057711954 0.90562942288046 0.07137968445554 15.999 > 41 68 O 0.59437057711954 0.90562942288046 0.07137968445554 15.999 > 41 69 O 0.31125884576093 0.40562942288046 0.07137968445554 15.999 > 45 70 O 0.81125884576093 0.40562942288046 0.07137968445554 15.999 > 45 71 O 0.31125884576093 0.90562942288046 0.07137968445554 15.999 > 45 72 O 0.81125884576093 0.90562942288046 0.07137968445554 15.999 > 45 73 O 0.35540782090574 0.42770391045287 0.59528698221112 15.999 > 25 74 O 0.85540782090574 0.42770391045287 0.59528698221112 15.999 > 25 75 O 0.35540782090574 0.92770391045287 0.59528698221112 15.999 > 25 76 O 0.85540782090574 0.92770391045287 0.59528698221112 15.999 > 25 77 O 0.07229608954713 0.42770391045287 0.59528698221112 15.999 > 29 78 O 0.57229608954713 0.42770391045287 0.59528698221112 15.999 > 29 79 O 0.07229608954713 0.92770391045287 0.59528698221112 15.999 > 29 80 O 0.57229608954713 0.92770391045287 0.59528698221112 15.999 > 29 81 O 0.07229608954713 0.14459217909426 0.59528698221112 15.999 > 33 82 O 0.57229608954713 0.14459217909426 0.59528698221112 15.999 > 33 83 O 0.07229608954713 0.64459217909426 0.59528698221112 15.999 > 33 84 O 0.57229608954713 0.64459217909426 0.59528698221112 15.999 > 33 85 O 0.42770391045287 0.35540782090574 0.40471301778888 15.999 > 37 86 O 0.92770391045287 0.35540782090574 0.40471301778888 15.999 > 37 87 O 0.42770391045287 0.85540782090574 0.40471301778888 15.999 > 37 88 O 0.92770391045287 0.85540782090574 0.40471301778888 15.999 > 37 89 O 0.42770391045287 0.07229608954713 0.40471301778888 15.999 > 41 90 O 0.92770391045287 0.07229608954713 0.40471301778888 15.999 > 41 91 O 0.42770391045287 0.57229608954713 0.40471301778888 15.999 > 41 92 O 0.92770391045287 0.57229608954713 0.40471301778888 15.999 > 41 93 O 0.14459217909426 0.07229608954713 0.40471301778888 15.999 > 45 94 O 0.64459217909426 0.07229608954713 0.40471301778888 15.999 > 45 95 O 0.14459217909426 0.57229608954713 0.40471301778888 15.999 > 45 96 O 0.64459217909426 0.57229608954713 0.40471301778888 15.999 > 45 97 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 97 98 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 97 99 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 97 100 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 97 101 Mg 0.33333333333333 0.16666666666667 0.33333333333333 24.305 > 97 102 Mg 0.83333333333333 0.16666666666667 0.33333333333333 24.305 > 97 103 Mg 0.33333333333333 0.66666666666667 0.33333333333333 24.305 > 97 104 Mg 0.83333333333333 0.66666666666667 0.33333333333333 24.305 > 97 105 Mg 0.16666666666667 0.33333333333333 0.66666666666667 24.305 > 97 106 Mg 0.66666666666667 0.33333333333333 0.66666666666667 24.305 > 97 107 Mg 0.16666666666667 0.83333333333333 0.66666666666667 24.305 > 97 108 Mg 0.66666666666667 0.83333333333333 0.66666666666667 24.305 > 97 109 K 0.16666666666667 0.33333333333333 0.87720005079758 39.098 > 109 110 K 0.66666666666667 0.33333333333333 0.87720005079758 39.098 > 109 111 K 0.16666666666667 0.83333333333333 0.87720005079758 39.098 > 109 112 K 0.66666666666667 0.83333333333333 0.87720005079758 39.098 > 109 113 K 0.00000000000000 0.00000000000000 0.78946661586909 39.098 > 113 114 K 0.50000000000000 0.00000000000000 0.78946661586909 39.098 > 113 115 K 0.00000000000000 0.50000000000000 0.78946661586909 39.098 > 113 116 K 0.50000000000000 0.50000000000000 0.78946661586909 39.098 > 113 117 K 0.00000000000000 0.00000000000000 0.21053338413091 39.098 > 109 118 K 0.50000000000000 0.00000000000000 0.21053338413091 39.098 > 109 119 K 0.00000000000000 0.50000000000000 0.21053338413091 39.098 > 109 120 K 0.50000000000000 0.50000000000000 0.21053338413091 39.098 > 109 121 K 0.33333333333333 0.16666666666667 0.12279994920242 39.098 > 113 122 K 0.83333333333333 0.16666666666667 0.12279994920242 39.098 > 113 123 K 0.33333333333333 0.66666666666667 0.12279994920242 39.098 > 113 124 K 0.83333333333333 0.66666666666667 0.12279994920242 39.098 > 113 125 K 0.33333333333333 0.16666666666667 0.54386671746425 39.098 > 109 126 K 0.83333333333333 0.16666666666667 0.54386671746425 39.098 > 109 127 K 0.33333333333333 0.66666666666667 0.54386671746425 39.098 > 109 128 K 0.83333333333333 0.66666666666667 0.54386671746425 39.098 > 109 129 K 0.16666666666667 0.33333333333333 0.45613328253575 39.098 > 113 130 K 0.66666666666667 0.33333333333333 0.45613328253575 39.098 > 113 131 K 0.16666666666667 0.83333333333333 0.45613328253575 39.098 > 113 132 K 0.66666666666667 0.83333333333333 0.45613328253575 39.098 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7705716 0.0000000 0.0000000 0.0000000 2.7705716 0.0000000 0.0000000 0.0000000 2.2266137 -------------------------- Born effective charges -------------------------- 1 C 2.9623077 0.0000000 0.0000000 0.0000000 2.9623077 -0.0000000 0.0000000 0.0000000 0.2381970 2 C 2.9623077 0.0000000 0.0000000 0.0000000 2.9623077 -0.0000000 0.0000000 0.0000000 0.2381970 3 O -2.1841797 -0.6088852 0.0258903 -0.6088852 -1.4810996 0.0149478 0.0604657 0.0349099 -0.8025675 4 O -2.1841797 0.6088852 -0.0258903 0.6088852 -1.4810996 0.0149478 -0.0604657 0.0349099 -0.8025675 5 O -1.1295596 -0.0000000 -0.0000000 0.0000000 -2.5357197 -0.0298956 0.0000000 -0.0698198 -0.8025675 6 O -1.1295596 -0.0000000 -0.0000000 0.0000000 -2.5357197 -0.0298956 0.0000000 -0.0698198 -0.8025675 7 O -2.1841797 0.6088852 -0.0258903 0.6088852 -1.4810996 0.0149478 -0.0604657 0.0349099 -0.8025675 8 O -2.1841797 -0.6088852 0.0258903 -0.6088852 -1.4810996 0.0149478 0.0604657 0.0349099 -0.8025675 9 Mg 2.6018413 0.0000000 0.0000000 0.0000000 2.6018413 -0.0000000 0.0000000 0.0000000 2.0415329 10 K 1.2346906 0.0000000 0.0000000 0.0000000 1.2346906 -0.0000000 0.0000000 0.0000000 1.1487390 11 K 1.2346906 0.0000000 0.0000000 0.0000000 1.2346906 -0.0000000 0.0000000 0.0000000 1.1487390 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, 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: -0.00000007 (xxy) -0.00000007 (xxy) -0.00000007 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 2026-01-07 22:43:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:43:13]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.588539336575345 1.494493882779708 5.778070646666660 b -2.588539336575340 1.494493882779708 5.778070646666660 c 0.000000000000003 -2.988987765559420 5.778070646666660 Atomic positions (fractional): 1 C 0.40340666757278 0.40340666757279 0.40340666757279 12.011 2 C 0.59659333242722 0.59659333242722 0.59659333242722 12.011 3 O 0.30610262402260 0.73987916130539 0.73987916130538 15.999 4 O 0.73987916130538 0.30610262402260 0.73987916130538 15.999 5 O 0.73987916130538 0.73987916130539 0.30610262402260 15.999 6 O 0.26012083869461 0.26012083869462 0.69389737597740 15.999 7 O 0.26012083869461 0.69389737597740 0.26012083869461 15.999 8 O 0.69389737597740 0.26012083869462 0.26012083869461 15.999 9 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 10 K 0.21053338413091 0.21053338413092 0.21053338413091 39.098 11 K 0.78946661586909 0.78946661586909 0.78946661586909 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.354157346301372 0.000000000000000 0.000000000000000 b -5.177078673150686 8.966963296678257 0.000000000000000 c 0.000000000000000 0.000000000000000 17.334211939999999 Atomic positions (fractional): 1 C 0.33333333333333 0.16666666666667 0.73674000090612 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.73674000090612 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.73674000090612 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.73674000090612 12.011 > 1 5 C 0.33333333333333 0.16666666666667 0.92992666576055 12.011 > 5 6 C 0.83333333333333 0.16666666666667 0.92992666576055 12.011 > 5 7 C 0.33333333333333 0.66666666666667 0.92992666576055 12.011 > 5 8 C 0.83333333333333 0.66666666666667 0.92992666576055 12.011 > 5 9 C 0.16666666666667 0.33333333333333 0.07007333423945 12.011 > 1 10 C 0.66666666666667 0.33333333333333 0.07007333423945 12.011 > 1 11 C 0.16666666666667 0.83333333333333 0.07007333423945 12.011 > 1 12 C 0.66666666666667 0.83333333333333 0.07007333423945 12.011 > 1 13 C 0.16666666666667 0.33333333333333 0.26325999909388 12.011 > 5 14 C 0.66666666666667 0.33333333333333 0.26325999909388 12.011 > 5 15 C 0.16666666666667 0.83333333333333 0.26325999909388 12.011 > 5 16 C 0.66666666666667 0.83333333333333 0.26325999909388 12.011 > 5 17 C 0.00000000000000 0.00000000000000 0.40340666757278 12.011 > 1 18 C 0.50000000000000 0.00000000000000 0.40340666757278 12.011 > 1 19 C 0.00000000000000 0.50000000000000 0.40340666757278 12.011 > 1 20 C 0.50000000000000 0.50000000000000 0.40340666757278 12.011 > 1 21 C 0.00000000000000 0.00000000000000 0.59659333242722 12.011 > 5 22 C 0.50000000000000 0.00000000000000 0.59659333242722 12.011 > 5 23 C 0.00000000000000 0.50000000000000 0.59659333242722 12.011 > 5 24 C 0.50000000000000 0.50000000000000 0.59659333242722 12.011 > 5 25 O 0.18874115423907 0.09437057711954 0.92862031554446 15.999 > 25 26 O 0.68874115423907 0.09437057711954 0.92862031554446 15.999 > 25 27 O 0.18874115423907 0.59437057711954 0.92862031554446 15.999 > 25 28 O 0.68874115423907 0.59437057711954 0.92862031554446 15.999 > 25 29 O 0.40562942288046 0.09437057711954 0.92862031554446 15.999 > 29 30 O 0.90562942288046 0.09437057711954 0.92862031554446 15.999 > 29 31 O 0.40562942288046 0.59437057711954 0.92862031554446 15.999 > 29 32 O 0.90562942288046 0.59437057711954 0.92862031554446 15.999 > 29 33 O 0.40562942288046 0.31125884576093 0.92862031554446 15.999 > 33 34 O 0.90562942288046 0.31125884576093 0.92862031554446 15.999 > 33 35 O 0.40562942288046 0.81125884576093 0.92862031554446 15.999 > 33 36 O 0.90562942288046 0.81125884576093 0.92862031554446 15.999 > 33 37 O 0.26103724378620 0.02207448757240 0.73804635112221 15.999 > 37 38 O 0.76103724378620 0.02207448757240 0.73804635112221 15.999 > 37 39 O 0.26103724378620 0.52207448757240 0.73804635112221 15.999 > 37 40 O 0.76103724378620 0.52207448757240 0.73804635112221 15.999 > 37 41 O 0.26103724378620 0.23896275621380 0.73804635112221 15.999 > 41 42 O 0.76103724378620 0.23896275621380 0.73804635112221 15.999 > 41 43 O 0.26103724378620 0.73896275621380 0.73804635112221 15.999 > 41 44 O 0.76103724378620 0.73896275621380 0.73804635112221 15.999 > 41 45 O 0.47792551242760 0.23896275621380 0.73804635112221 15.999 > 45 46 O 0.97792551242760 0.23896275621380 0.73804635112221 15.999 > 45 47 O 0.47792551242760 0.73896275621380 0.73804635112221 15.999 > 45 48 O 0.97792551242760 0.73896275621380 0.73804635112221 15.999 > 45 49 O 0.02207448757240 0.26103724378620 0.26195364887779 15.999 > 25 50 O 0.52207448757240 0.26103724378620 0.26195364887779 15.999 > 25 51 O 0.02207448757240 0.76103724378620 0.26195364887779 15.999 > 25 52 O 0.52207448757240 0.76103724378620 0.26195364887779 15.999 > 25 53 O 0.23896275621380 0.26103724378620 0.26195364887779 15.999 > 29 54 O 0.73896275621380 0.26103724378620 0.26195364887779 15.999 > 29 55 O 0.23896275621380 0.76103724378620 0.26195364887779 15.999 > 29 56 O 0.73896275621380 0.76103724378620 0.26195364887779 15.999 > 29 57 O 0.23896275621380 0.47792551242760 0.26195364887779 15.999 > 33 58 O 0.73896275621380 0.47792551242760 0.26195364887779 15.999 > 33 59 O 0.23896275621380 0.97792551242760 0.26195364887779 15.999 > 33 60 O 0.73896275621380 0.97792551242760 0.26195364887779 15.999 > 33 61 O 0.09437057711954 0.18874115423907 0.07137968445554 15.999 > 37 62 O 0.59437057711954 0.18874115423907 0.07137968445554 15.999 > 37 63 O 0.09437057711954 0.68874115423907 0.07137968445554 15.999 > 37 64 O 0.59437057711954 0.68874115423907 0.07137968445554 15.999 > 37 65 O 0.09437057711954 0.40562942288046 0.07137968445554 15.999 > 41 66 O 0.59437057711954 0.40562942288046 0.07137968445554 15.999 > 41 67 O 0.09437057711954 0.90562942288046 0.07137968445554 15.999 > 41 68 O 0.59437057711954 0.90562942288046 0.07137968445554 15.999 > 41 69 O 0.31125884576093 0.40562942288046 0.07137968445554 15.999 > 45 70 O 0.81125884576093 0.40562942288046 0.07137968445554 15.999 > 45 71 O 0.31125884576093 0.90562942288046 0.07137968445554 15.999 > 45 72 O 0.81125884576093 0.90562942288046 0.07137968445554 15.999 > 45 73 O 0.35540782090574 0.42770391045287 0.59528698221112 15.999 > 25 74 O 0.85540782090574 0.42770391045287 0.59528698221112 15.999 > 25 75 O 0.35540782090574 0.92770391045287 0.59528698221112 15.999 > 25 76 O 0.85540782090574 0.92770391045287 0.59528698221112 15.999 > 25 77 O 0.07229608954713 0.42770391045287 0.59528698221112 15.999 > 29 78 O 0.57229608954713 0.42770391045287 0.59528698221112 15.999 > 29 79 O 0.07229608954713 0.92770391045287 0.59528698221112 15.999 > 29 80 O 0.57229608954713 0.92770391045287 0.59528698221112 15.999 > 29 81 O 0.07229608954713 0.14459217909426 0.59528698221112 15.999 > 33 82 O 0.57229608954713 0.14459217909426 0.59528698221112 15.999 > 33 83 O 0.07229608954713 0.64459217909426 0.59528698221112 15.999 > 33 84 O 0.57229608954713 0.64459217909426 0.59528698221112 15.999 > 33 85 O 0.42770391045287 0.35540782090574 0.40471301778888 15.999 > 37 86 O 0.92770391045287 0.35540782090574 0.40471301778888 15.999 > 37 87 O 0.42770391045287 0.85540782090574 0.40471301778888 15.999 > 37 88 O 0.92770391045287 0.85540782090574 0.40471301778888 15.999 > 37 89 O 0.42770391045287 0.07229608954713 0.40471301778888 15.999 > 41 90 O 0.92770391045287 0.07229608954713 0.40471301778888 15.999 > 41 91 O 0.42770391045287 0.57229608954713 0.40471301778888 15.999 > 41 92 O 0.92770391045287 0.57229608954713 0.40471301778888 15.999 > 41 93 O 0.14459217909426 0.07229608954713 0.40471301778888 15.999 > 45 94 O 0.64459217909426 0.07229608954713 0.40471301778888 15.999 > 45 95 O 0.14459217909426 0.57229608954713 0.40471301778888 15.999 > 45 96 O 0.64459217909426 0.57229608954713 0.40471301778888 15.999 > 45 97 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 97 98 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 97 99 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 97 100 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 97 101 Mg 0.33333333333333 0.16666666666667 0.33333333333333 24.305 > 97 102 Mg 0.83333333333333 0.16666666666667 0.33333333333333 24.305 > 97 103 Mg 0.33333333333333 0.66666666666667 0.33333333333333 24.305 > 97 104 Mg 0.83333333333333 0.66666666666667 0.33333333333333 24.305 > 97 105 Mg 0.16666666666667 0.33333333333333 0.66666666666667 24.305 > 97 106 Mg 0.66666666666667 0.33333333333333 0.66666666666667 24.305 > 97 107 Mg 0.16666666666667 0.83333333333333 0.66666666666667 24.305 > 97 108 Mg 0.66666666666667 0.83333333333333 0.66666666666667 24.305 > 97 109 K 0.16666666666667 0.33333333333333 0.87720005079758 39.098 > 109 110 K 0.66666666666667 0.33333333333333 0.87720005079758 39.098 > 109 111 K 0.16666666666667 0.83333333333333 0.87720005079758 39.098 > 109 112 K 0.66666666666667 0.83333333333333 0.87720005079758 39.098 > 109 113 K 0.00000000000000 0.00000000000000 0.78946661586909 39.098 > 113 114 K 0.50000000000000 0.00000000000000 0.78946661586909 39.098 > 113 115 K 0.00000000000000 0.50000000000000 0.78946661586909 39.098 > 113 116 K 0.50000000000000 0.50000000000000 0.78946661586909 39.098 > 113 117 K 0.00000000000000 0.00000000000000 0.21053338413091 39.098 > 109 118 K 0.50000000000000 0.00000000000000 0.21053338413091 39.098 > 109 119 K 0.00000000000000 0.50000000000000 0.21053338413091 39.098 > 109 120 K 0.50000000000000 0.50000000000000 0.21053338413091 39.098 > 109 121 K 0.33333333333333 0.16666666666667 0.12279994920242 39.098 > 113 122 K 0.83333333333333 0.16666666666667 0.12279994920242 39.098 > 113 123 K 0.33333333333333 0.66666666666667 0.12279994920242 39.098 > 113 124 K 0.83333333333333 0.66666666666667 0.12279994920242 39.098 > 113 125 K 0.33333333333333 0.16666666666667 0.54386671746425 39.098 > 109 126 K 0.83333333333333 0.16666666666667 0.54386671746425 39.098 > 109 127 K 0.33333333333333 0.66666666666667 0.54386671746425 39.098 > 109 128 K 0.83333333333333 0.66666666666667 0.54386671746425 39.098 > 109 129 K 0.16666666666667 0.33333333333333 0.45613328253575 39.098 > 113 130 K 0.66666666666667 0.33333333333333 0.45613328253575 39.098 > 113 131 K 0.16666666666667 0.83333333333333 0.45613328253575 39.098 > 113 132 K 0.66666666666667 0.83333333333333 0.45613328253575 39.098 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7705716 0.0000000 0.0000000 0.0000000 2.7705716 0.0000000 0.0000000 0.0000000 2.2266137 -------------------------- Born effective charges -------------------------- 1 C 2.9623077 0.0000000 0.0000000 0.0000000 2.9623077 -0.0000000 0.0000000 0.0000000 0.2381970 2 C 2.9623077 0.0000000 0.0000000 0.0000000 2.9623077 -0.0000000 0.0000000 0.0000000 0.2381970 3 O -2.1841797 -0.6088852 0.0258903 -0.6088852 -1.4810996 0.0149478 0.0604657 0.0349099 -0.8025675 4 O -2.1841797 0.6088852 -0.0258903 0.6088852 -1.4810996 0.0149478 -0.0604657 0.0349099 -0.8025675 5 O -1.1295596 -0.0000000 -0.0000000 0.0000000 -2.5357197 -0.0298956 0.0000000 -0.0698198 -0.8025675 6 O -1.1295596 -0.0000000 -0.0000000 0.0000000 -2.5357197 -0.0298956 0.0000000 -0.0698198 -0.8025675 7 O -2.1841797 0.6088852 -0.0258903 0.6088852 -1.4810996 0.0149478 -0.0604657 0.0349099 -0.8025675 8 O -2.1841797 -0.6088852 0.0258903 -0.6088852 -1.4810996 0.0149478 0.0604657 0.0349099 -0.8025675 9 Mg 2.6018413 0.0000000 0.0000000 0.0000000 2.6018413 -0.0000000 0.0000000 0.0000000 2.0415329 10 K 1.2346906 0.0000000 0.0000000 0.0000000 1.2346906 -0.0000000 0.0000000 0.0000000 1.1487390 11 K 1.2346906 0.0000000 0.0000000 0.0000000 1.2346906 -0.0000000 0.0000000 0.0000000 1.1487390 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (xxy) -0.00000007 (xxy) -0.00000007 (xyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] 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: 0.81, Number of G-points: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 189 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 2.247 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 5.626 ( 0.000 0.000 0.000) 0.000 5.626 ( 0.000 0.000 0.000) 0.000 5.669 ( 0.000 0.000 0.000) 0.000 5.669 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 10.260 ( 0.000 0.000 0.000) 0.000 19.835 ( 0.000 0.000 0.000) 0.000 19.835 ( 0.000 0.000 0.000) 0.000 19.835 ( 0.000 0.000 0.000) 0.000 19.835 ( 0.000 0.000 0.000) 0.000 24.855 ( 0.000 0.000 0.000) 0.000 25.314 ( 0.000 0.000 0.000) 0.000 32.597 ( 0.000 0.000 0.000) 0.000 32.659 ( 0.000 0.000 0.000) 0.000 41.768 ( 0.000 0.000 0.000) 0.000 41.768 ( 0.000 0.000 0.000) 0.000 42.883 ( 0.000 0.000 0.000) 0.000 42.883 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 12.922 7.461 22.161) 26.716 0.784 ( 35.369 20.420 1.631) 40.873 1.436 ( 63.928 36.909 2.984) 73.878 2.333 ( 7.724 4.459 0.846) 8.959 2.488 ( 20.656 11.926 -1.182) 23.881 3.637 ( -1.687 -0.974 -0.172) 1.956 4.198 ( -5.111 -2.951 18.301) 19.229 4.672 ( -2.784 -1.607 0.159) 3.219 5.550 ( -2.267 -1.309 -5.756) 6.323 5.595 ( -2.135 -1.233 -2.572) 3.563 5.752 ( 0.608 0.351 7.305) 7.339 5.834 ( 4.331 2.500 1.440) 5.204 5.922 ( 1.837 1.060 -1.013) 2.350 6.626 ( 3.643 2.103 -1.997) 4.656 6.795 ( -5.610 -3.239 -0.203) 6.481 7.039 ( 1.782 1.029 0.274) 2.076 7.087 ( 4.523 2.611 0.012) 5.222 7.767 ( 5.565 3.213 -3.083) 7.127 9.151 ( 0.016 0.009 -1.058) 1.058 10.179 ( -1.159 -0.669 -12.085) 12.159 12.117 ( -6.821 -3.938 -3.296) 8.538 19.790 ( -2.284 -1.319 0.965) 2.808 19.820 ( 0.612 0.354 -1.738) 1.876 19.877 ( 1.872 1.081 -0.634) 2.252 19.898 ( 3.432 1.981 0.482) 3.992 24.869 ( -1.163 -0.672 5.437) 5.601 25.309 ( -0.419 -0.242 -0.153) 0.507 32.578 ( -1.819 -1.050 0.222) 2.112 32.648 ( -0.881 -0.509 -0.480) 1.125 41.763 ( -1.142 -0.659 3.134) 3.400 41.811 ( 4.377 2.527 -2.097) 5.471 42.862 ( -1.177 -0.679 -3.395) 3.657 46.242 ( 14.212 8.205 -66.368) 68.367 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 14.628 8.445 19.490) 25.791 1.512 ( 31.351 18.100 0.434) 36.203 2.583 ( 14.747 8.514 2.656) 17.234 2.669 ( 44.029 25.420 4.425) 51.033 3.023 ( 27.721 16.004 -1.382) 32.039 3.636 ( 5.754 3.322 -1.719) 6.863 4.173 ( -2.608 -1.506 7.164) 7.772 4.584 ( -5.410 -3.124 0.275) 6.253 5.498 ( -0.452 -0.261 -3.134) 3.177 5.519 ( -3.395 -1.960 -2.625) 4.718 5.735 ( -2.981 -1.721 2.329) 4.156 5.966 ( 2.972 1.716 -2.783) 4.419 6.020 ( 10.061 5.809 4.825) 12.580 6.685 ( -4.184 -2.415 1.421) 5.035 6.699 ( 3.430 1.980 -2.130) 4.497 7.097 ( 3.394 1.960 -0.001) 3.919 7.187 ( 4.587 2.648 0.465) 5.317 7.906 ( 8.773 5.065 -4.515) 11.091 9.144 ( 0.020 0.012 -1.883) 1.883 10.066 ( -5.854 -3.380 -2.342) 7.154 11.882 ( -14.105 -8.144 -0.058) 16.287 19.749 ( -1.959 -1.131 1.044) 2.491 19.847 ( 2.672 1.543 -1.874) 3.610 19.908 ( 1.223 0.706 -0.467) 1.487 19.984 ( 4.283 2.473 -0.116) 4.947 24.872 ( -0.444 -0.257 2.607) 2.657 25.295 ( -0.730 -0.421 -0.318) 0.901 32.527 ( -2.879 -1.662 0.046) 3.324 32.618 ( -1.576 -0.910 -0.855) 2.011 41.751 ( -1.867 -1.078 5.567) 5.970 41.927 ( 7.339 4.237 -3.299) 9.094 42.802 ( -2.141 -1.236 -6.024) 6.511 46.221 ( 5.514 3.183 -29.977) 30.646 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 14.875 8.588 16.322) 23.694 2.104 ( 23.467 13.549 -0.881) 27.112 2.988 ( 21.006 12.128 4.511) 24.672 3.238 ( 9.995 5.771 0.503) 11.552 3.345 ( 4.879 2.817 2.657) 6.229 4.062 ( 9.772 5.642 7.311) 13.445 4.292 ( 29.721 17.159 -8.798) 35.429 4.454 ( -6.518 -3.763 0.680) 7.557 5.443 ( -2.585 -1.492 -0.247) 2.995 5.483 ( -1.830 -1.056 1.240) 2.450 5.679 ( -1.017 -0.587 -2.581) 2.835 6.017 ( 3.454 1.994 -4.851) 6.280 6.283 ( 11.834 6.832 4.302) 14.326 6.663 ( 1.908 1.102 3.708) 4.313 6.737 ( 0.762 0.440 -1.105) 1.412 7.174 ( 3.536 2.042 -0.439) 4.107 7.279 ( 3.564 2.057 0.082) 4.116 8.092 ( 10.625 6.134 -4.591) 13.099 9.135 ( 0.041 0.023 -2.259) 2.260 9.919 ( -7.081 -4.088 0.159) 8.178 11.526 ( -18.989 -10.963 1.698) 21.992 19.718 ( -1.348 -0.778 1.014) 1.858 19.912 ( 4.095 2.364 -1.769) 5.049 19.924 ( 0.470 0.272 -0.341) 0.641 20.073 ( 3.923 2.265 -0.447) 4.552 24.876 ( -0.129 -0.075 1.630) 1.636 25.276 ( -0.849 -0.490 -0.453) 1.080 32.462 ( -3.002 -1.733 -0.061) 3.467 32.575 ( -1.906 -1.101 -1.013) 2.423 41.739 ( -1.961 -1.132 6.729) 7.100 42.080 ( 8.101 4.677 -3.323) 9.927 42.717 ( -2.653 -1.532 -7.263) 7.883 46.192 ( 2.253 1.301 -16.713) 16.915 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 13.227 7.637 12.194) 19.544 2.514 ( 15.516 8.958 -0.781) 17.933 3.253 ( -2.294 -1.325 0.841) 2.779 3.452 ( 0.826 0.477 0.478) 1.067 3.476 ( 20.562 11.872 3.432) 23.990 4.121 ( 0.824 0.476 1.005) 1.384 4.343 ( -3.154 -1.821 2.357) 4.338 4.954 ( 25.143 14.516 -6.284) 29.705 5.375 ( -9.073 -5.238 2.692) 10.817 5.420 ( -0.171 -0.099 2.889) 2.896 5.709 ( 5.185 2.994 -5.313) 8.005 6.064 ( 2.794 1.613 -4.509) 5.545 6.527 ( 7.162 4.135 2.873) 8.755 6.747 ( 2.371 1.369 -0.006) 2.738 6.833 ( 11.874 6.856 5.101) 14.630 7.227 ( 1.191 0.688 -0.332) 1.415 7.333 ( 1.656 0.956 -0.906) 2.116 8.324 ( 13.276 7.665 -4.048) 15.855 9.126 ( 0.089 0.051 -2.040) 2.042 9.762 ( -8.038 -4.641 0.025) 9.281 11.112 ( -19.696 -11.371 2.810) 22.916 19.701 ( -0.649 -0.375 0.839) 1.125 19.926 ( -0.128 -0.074 -0.250) 0.290 19.999 ( 4.503 2.600 -1.479) 5.406 20.140 ( 2.453 1.416 -0.396) 2.860 24.881 ( 0.037 0.021 1.058) 1.059 25.256 ( -0.742 -0.428 -0.470) 0.977 32.403 ( -2.343 -1.352 -0.105) 2.707 32.530 ( -1.734 -1.001 -0.893) 2.192 41.733 ( -1.500 -0.866 6.210) 6.447 42.228 ( 6.699 3.867 -2.488) 8.125 42.626 ( -2.485 -1.435 -6.679) 7.269 46.160 ( 0.713 0.412 -9.343) 9.379 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 8.456 4.882 6.695) 11.839 2.771 ( 8.593 4.961 -0.157) 9.924 3.225 ( -0.325 -0.187 1.292) 1.345 3.400 ( -4.372 -2.524 -0.662) 5.092 3.784 ( 5.934 3.426 -0.379) 6.862 4.137 ( 0.757 0.437 -1.439) 1.683 4.435 ( 11.175 6.452 5.425) 13.998 5.137 ( -13.381 -7.725 -0.361) 15.455 5.267 ( 7.850 4.532 -3.723) 9.799 5.453 ( 1.438 0.830 2.944) 3.379 5.810 ( 5.276 3.046 -3.519) 7.035 6.088 ( 0.890 0.514 -1.752) 2.031 6.558 ( -2.459 -1.419 1.179) 3.074 6.897 ( 8.936 5.159 0.648) 10.339 7.147 ( 12.304 7.104 4.481) 14.898 7.213 ( -2.427 -1.402 0.016) 2.803 7.346 ( 0.404 0.233 -2.339) 2.385 8.639 ( 17.567 10.143 -3.008) 20.507 9.120 ( 0.092 0.053 -1.220) 1.224 9.542 ( -13.049 -7.534 -0.131) 15.068 10.762 ( -12.679 -7.320 2.479) 14.848 19.697 ( -0.158 -0.091 0.491) 0.524 19.919 ( -0.296 -0.171 -0.148) 0.372 20.083 ( 3.659 2.113 -1.020) 4.347 20.170 ( 0.368 0.212 -0.047) 0.428 24.886 ( 0.067 0.039 0.548) 0.553 25.242 ( -0.432 -0.249 -0.306) 0.585 32.364 ( -1.249 -0.721 -0.076) 1.444 32.496 ( -1.040 -0.600 -0.519) 1.308 41.733 ( -0.765 -0.441 3.819) 3.919 42.333 ( 3.736 2.157 -1.283) 4.501 42.555 ( -1.532 -0.884 -4.092) 4.458 46.136 ( 0.117 0.067 -4.243) 4.245 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.725 ( -0.000 -0.000 -0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 -0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 7.032 ( -0.000 -0.000 0.000) 0.000 7.154 ( 0.000 0.000 -0.000) 0.000 7.315 ( 0.000 0.000 0.000) 0.000 7.329 ( -0.000 -0.000 -0.000) 0.000 8.930 ( -0.000 -0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 9.295 ( 0.000 0.000 0.000) 0.000 10.629 ( 0.000 0.000 0.000) 0.000 19.697 ( 0.000 0.000 0.000) 0.000 19.915 ( 0.000 0.000 0.000) 0.000 20.130 ( -0.000 -0.000 0.000) 0.000 20.165 ( 0.000 0.000 0.000) 0.000 24.889 ( 0.000 0.000 0.000) 0.000 25.236 ( 0.000 0.000 0.000) 0.000 32.350 ( 0.000 0.000 0.000) 0.000 32.483 ( 0.000 0.000 0.000) 0.000 41.734 ( 0.000 0.000 0.000) 0.000 42.371 ( 0.000 0.000 0.000) 0.000 42.528 ( 0.000 0.000 -0.000) 0.000 46.127 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.000 11.951 31.925) 34.089 0.810 ( -0.000 40.610 4.987) 40.915 1.437 ( -0.000 71.114 3.562) 71.203 2.335 ( -0.000 8.462 1.178) 8.543 2.520 ( -0.000 26.042 2.354) 26.148 3.639 ( 0.000 -1.597 0.144) 1.604 4.316 ( 0.000 -16.534 29.248) 33.598 4.674 ( 0.000 -3.195 0.358) 3.215 5.575 ( -0.000 -1.606 -4.236) 4.531 5.581 ( -0.000 -0.475 -6.503) 6.521 5.677 ( 0.000 -2.176 2.648) 3.427 5.829 ( -0.000 3.628 0.248) 3.636 5.956 ( 0.000 2.215 2.806) 3.575 6.625 ( -0.000 4.158 -2.000) 4.614 6.773 ( 0.000 -5.983 -3.466) 6.914 7.064 ( 0.000 3.078 3.492) 4.655 7.109 ( -0.000 6.559 3.038) 7.229 7.744 ( -0.000 6.160 -5.562) 8.300 9.162 ( -0.000 0.661 0.436) 0.792 10.137 ( -0.000 10.190 -16.652) 19.522 12.015 ( -0.000 -9.868 -13.060) 16.369 19.776 ( 0.000 -2.747 -0.952) 2.907 19.832 ( -0.000 0.719 0.070) 0.722 19.886 ( -0.000 2.044 0.587) 2.126 19.891 ( -0.000 4.422 -0.497) 4.450 24.906 ( 0.000 -4.327 8.654) 9.675 25.308 ( 0.000 -0.498 -0.270) 0.566 32.579 ( 0.000 -2.251 0.331) 2.275 32.644 ( 0.000 -1.087 -0.828) 1.367 41.733 ( 0.000 -3.090 -1.013) 3.252 41.858 ( -0.000 7.348 4.369) 8.549 42.892 ( 0.000 0.512 0.840) 0.984 45.770 ( -0.000 50.712 -107.794) 119.128 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 5.576 12.754 28.782) 31.971 1.398 ( 18.984 36.801 3.884) 41.591 2.261 ( 22.645 34.204 2.978) 41.128 2.667 ( 23.623 28.387 0.141) 36.931 2.829 ( 5.997 26.120 3.773) 27.064 3.628 ( -0.146 2.618 0.163) 2.627 4.257 ( -4.781 -6.226 14.170) 16.199 4.623 ( -2.302 -3.801 0.537) 4.476 5.499 ( -2.585 -1.172 -5.516) 6.203 5.545 ( -1.241 1.325 -3.784) 4.197 5.762 ( 7.649 -6.390 -0.168) 9.968 5.828 ( -1.832 3.531 3.492) 5.293 6.015 ( 2.489 3.949 0.261) 4.675 6.653 ( 1.545 2.281 -3.435) 4.403 6.711 ( -0.029 -3.778 -1.611) 4.108 7.115 ( -0.257 5.126 4.645) 6.923 7.199 ( 0.820 7.081 3.328) 7.867 7.822 ( 5.127 7.873 -7.264) 11.875 9.155 ( -1.500 1.122 -0.524) 1.945 10.121 ( -3.861 0.984 -2.366) 4.634 11.843 ( -0.284 -17.915 -9.777) 20.411 19.766 ( 1.279 -1.968 -0.678) 2.443 19.824 ( -1.112 1.997 -0.738) 2.402 19.925 ( -0.662 4.166 -0.197) 4.222 19.937 ( 3.308 1.783 0.303) 3.770 24.896 ( -1.074 -1.542 4.636) 5.003 25.298 ( -0.390 -0.679 -0.435) 0.896 32.543 ( -1.571 -2.711 0.145) 3.136 32.621 ( -0.800 -1.517 -1.215) 2.101 41.754 ( 6.298 -3.507 -1.265) 7.318 41.917 ( -4.549 9.135 6.135) 11.907 42.855 ( -4.719 2.776 -2.440) 5.994 45.882 ( 15.988 15.840 -57.893) 62.114 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 8.317 12.570 24.311) 28.604 2.024 ( 15.036 32.584 2.212) 35.954 2.786 ( 21.270 13.375 4.619) 25.547 3.155 ( 7.173 12.909 2.255) 14.939 3.282 ( 11.892 7.222 2.784) 14.189 3.916 ( 25.523 32.121 -3.516) 41.177 4.205 ( -4.464 0.872 7.068) 8.405 4.540 ( -5.126 -1.495 0.578) 5.371 5.422 ( -0.672 -3.992 -3.258) 5.196 5.545 ( -0.986 4.879 -1.274) 5.138 5.703 ( -5.185 -2.420 -1.251) 5.858 5.948 ( 7.642 1.104 -0.462) 7.735 6.105 ( 8.080 -1.430 0.627) 8.230 6.682 ( 3.487 -1.480 -3.345) 5.054 6.713 ( 0.657 4.616 0.595) 4.700 7.187 ( -0.027 5.651 3.824) 6.824 7.293 ( 0.835 6.825 2.762) 7.410 7.974 ( 8.464 8.172 -7.272) 13.831 9.138 ( -1.171 1.085 -1.357) 2.095 10.018 ( -7.683 -1.911 1.854) 8.132 11.563 ( -6.232 -22.590 -5.350) 24.037 19.754 ( -1.572 0.206 0.440) 1.645 19.853 ( 3.338 1.613 -2.073) 4.248 19.944 ( -1.144 3.332 -0.154) 3.526 20.017 ( 4.400 1.216 0.084) 4.566 24.891 ( -0.671 -0.467 2.755) 2.874 25.280 ( -0.626 -0.739 -0.595) 1.137 32.485 ( -2.374 -2.649 0.054) 3.557 32.581 ( -1.289 -1.760 -1.414) 2.600 41.830 ( 3.404 0.668 2.384) 4.209 41.963 ( 0.280 4.731 3.313) 5.783 42.787 ( -6.043 5.205 -4.880) 9.350 45.966 ( 11.596 1.884 -32.367) 34.433 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 8.471 11.647 19.629) 24.345 2.486 ( 8.121 25.301 1.583) 26.619 3.225 ( 3.368 -0.011 -0.456) 3.399 3.328 ( 19.583 13.454 5.854) 24.470 3.416 ( 2.385 0.199 3.931) 4.602 4.185 ( -3.987 4.364 1.514) 6.102 4.442 ( -5.937 2.511 0.878) 6.506 4.677 ( 26.275 26.158 -5.446) 37.474 5.392 ( 2.160 -3.955 1.739) 4.831 5.529 ( -9.437 2.068 1.474) 9.773 5.634 ( 3.554 1.695 -4.147) 5.718 6.017 ( 0.964 2.590 -4.383) 5.181 6.312 ( 19.916 -3.766 2.289) 20.398 6.684 ( 0.394 -3.181 -0.502) 3.244 6.838 ( 5.221 10.361 0.615) 11.619 7.243 ( -0.545 3.685 2.169) 4.311 7.371 ( -0.711 6.915 1.866) 7.198 8.175 ( 11.212 8.409 -6.354) 15.388 9.126 ( -0.727 1.007 -1.409) 1.878 9.870 ( -9.069 -2.534 1.415) 9.522 11.189 ( -10.111 -24.441 -1.885) 26.517 19.733 ( -1.958 1.162 0.563) 2.345 19.926 ( 4.423 1.455 -1.733) 4.968 19.951 ( -0.771 2.464 -0.420) 2.616 20.094 ( 3.943 0.464 -0.049) 3.971 24.891 ( -0.395 -0.064 1.824) 1.867 25.260 ( -0.632 -0.656 -0.660) 1.124 32.424 ( -2.296 -2.118 0.025) 3.124 32.536 ( -1.323 -1.770 -1.315) 2.571 41.872 ( -5.920 8.097 6.590) 12.001 42.064 ( 10.247 -2.889 -1.431) 10.742 42.713 ( -7.153 6.549 -4.268) 10.596 45.993 ( 8.771 -3.881 -19.339) 21.587 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 5.542 9.471 14.396) 18.101 2.786 ( 3.385 17.886 1.934) 18.306 3.209 ( 0.537 -2.547 0.517) 2.654 3.402 ( -2.229 -4.689 1.140) 5.315 3.803 ( 13.379 16.473 3.049) 21.439 4.140 ( -6.047 3.811 -0.480) 7.164 4.441 ( 0.660 7.993 3.098) 8.598 5.075 ( 8.267 0.684 -7.042) 10.881 5.368 ( -5.416 2.599 -1.564) 6.208 5.448 ( -1.171 3.205 5.819) 6.746 5.737 ( 5.821 4.194 -2.089) 7.473 6.021 ( 2.326 -2.409 -3.324) 4.719 6.603 ( 0.336 3.054 -0.163) 3.077 6.692 ( 17.817 -3.768 1.871) 18.307 7.048 ( 8.716 8.351 0.535) 12.083 7.254 ( -2.002 1.510 0.941) 2.679 7.410 ( -3.540 7.154 0.649) 8.009 8.443 ( 15.416 9.800 -4.884) 18.909 9.119 ( -0.374 0.736 -0.763) 1.124 9.681 ( -11.525 -4.665 0.087) 12.433 10.805 ( -8.499 -22.131 -0.036) 23.707 19.720 ( -1.508 1.454 0.372) 2.128 19.941 ( -1.477 1.674 0.060) 2.233 20.019 ( 5.098 1.147 -1.640) 5.476 20.145 ( 2.342 -0.492 0.025) 2.393 24.893 ( -0.298 0.081 1.177) 1.216 25.243 ( -0.401 -0.451 -0.548) 0.815 32.377 ( -1.568 -1.343 0.050) 2.065 32.497 ( -0.820 -1.514 -0.943) 1.963 41.866 ( -7.865 9.672 3.915) 13.066 42.205 ( 10.809 -3.026 -0.721) 11.247 42.638 ( -7.273 5.459 -1.393) 9.199 46.000 ( 7.679 -6.691 -11.503) 15.364 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -1.425 5.379 8.464) 10.130 2.942 ( -1.677 10.305 1.953) 10.622 3.225 ( 1.877 0.326 1.140) 2.220 3.304 ( -2.728 -4.879 -1.359) 5.752 4.006 ( -7.706 18.861 -1.183) 20.409 4.115 ( 1.516 -1.502 2.338) 3.165 4.660 ( 11.028 10.385 4.650) 15.846 4.927 ( -10.176 -9.927 -5.718) 15.323 5.379 ( 0.111 6.062 -6.385) 8.805 5.491 ( -2.335 3.003 7.677) 8.568 5.843 ( 3.557 1.720 -0.196) 3.956 6.022 ( 3.676 -5.193 -0.883) 6.423 6.549 ( -2.746 -0.528 -0.600) 2.860 6.968 ( 9.745 2.468 0.185) 10.054 7.209 ( -1.461 2.392 -0.141) 2.806 7.243 ( 4.858 -1.082 -0.174) 4.980 7.400 ( -4.940 6.554 0.274) 8.211 8.793 ( 16.851 8.368 -2.690) 19.006 9.124 ( 0.339 1.068 0.325) 1.167 9.404 ( -14.202 -6.906 0.178) 15.793 10.555 ( 0.221 -15.063 -0.922) 15.093 19.713 ( -1.139 1.528 -0.004) 1.906 19.933 ( -1.233 1.595 0.163) 2.023 20.091 ( 3.719 -0.337 -0.782) 3.815 20.159 ( 0.423 -1.205 0.110) 1.282 24.893 ( -0.336 0.086 0.585) 0.680 25.235 ( -0.008 -0.186 -0.271) 0.328 32.351 ( -0.499 -0.549 0.108) 0.750 32.476 ( 0.132 -1.015 -0.426) 1.109 41.841 ( -7.339 9.830 -0.805) 12.294 42.331 ( 6.007 -1.022 1.688) 6.323 42.575 ( -4.786 2.781 2.012) 5.889 46.012 ( 7.518 -7.735 -6.100) 12.392 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -10.717 0.342 2.247) 10.956 2.940 ( -8.957 5.989 1.715) 10.911 3.203 ( -0.933 -2.094 -1.947) 3.007 3.316 ( 5.121 -0.226 0.581) 5.158 4.017 ( -12.050 15.630 0.486) 19.742 4.117 ( 0.172 -2.664 2.265) 3.501 4.587 ( -14.416 -4.680 -5.171) 16.015 4.985 ( 12.647 6.658 2.446) 14.500 5.379 ( -0.370 2.167 -7.363) 7.684 5.480 ( -7.115 2.528 7.305) 10.506 5.858 ( -1.385 -3.074 1.745) 3.796 6.041 ( 3.559 -3.963 1.807) 5.624 6.538 ( 1.634 1.875 -2.127) 3.272 6.956 ( -7.321 -8.257 -1.549) 11.143 7.207 ( -4.255 -3.743 -3.075) 6.447 7.227 ( -0.517 3.904 0.838) 4.027 7.414 ( -2.332 5.918 1.708) 6.586 8.820 ( -13.473 -9.325 1.034) 16.418 9.130 ( -0.589 0.137 1.127) 1.279 9.404 ( 13.308 9.540 0.322) 16.377 10.535 ( 12.254 -8.008 -3.623) 15.080 19.710 ( -0.967 1.687 -0.431) 1.992 19.934 ( -0.777 1.810 0.258) 1.987 20.102 ( -0.849 -2.920 0.633) 3.106 20.156 ( 0.893 -1.031 -0.287) 1.394 24.889 ( -0.413 0.038 0.043) 0.417 25.237 ( 0.423 0.061 0.045) 0.430 32.352 ( 0.711 0.122 0.163) 0.740 32.480 ( 1.236 -0.389 0.073) 1.298 41.809 ( -6.236 9.937 -4.911) 12.718 42.351 ( -2.167 -4.769 4.540) 6.932 42.594 ( 0.821 4.961 4.206) 6.556 46.043 ( 7.562 -7.441 -1.883) 10.775 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -17.334 -3.031 -3.023) 17.854 2.787 ( -17.488 5.324 2.021) 18.392 3.197 ( 2.851 -1.257 -1.040) 3.284 3.390 ( 4.185 -2.039 -0.230) 4.661 3.754 ( -22.112 -8.306 -3.769) 23.919 4.163 ( -2.139 9.058 2.323) 9.593 4.399 ( -6.116 4.924 -2.431) 8.219 5.155 ( -2.568 -3.262 3.570) 5.475 5.359 ( 2.504 -3.048 -4.640) 6.090 5.402 ( -7.357 10.032 2.186) 12.631 5.779 ( -4.467 -4.765 3.435) 7.380 6.071 ( 1.795 -2.141 3.504) 4.482 6.585 ( -2.597 2.108 -2.630) 4.255 6.654 ( -5.690 -18.940 -3.433) 20.072 7.019 ( -11.854 -0.869 -3.218) 12.313 7.260 ( -1.486 2.547 1.790) 3.450 7.416 ( -4.722 4.760 1.453) 6.860 8.494 ( -14.795 -7.681 2.064) 16.797 9.138 ( 0.066 0.301 1.774) 1.801 9.688 ( 9.006 7.800 1.240) 11.979 10.768 ( 24.447 -2.398 -5.140) 25.096 19.711 ( -0.685 2.129 -0.737) 2.355 19.942 ( -0.701 1.933 0.240) 2.070 20.039 ( -3.197 -3.359 1.106) 4.767 20.146 ( -0.422 -2.484 0.086) 2.521 24.882 ( -0.428 0.003 -0.379) 0.572 25.249 ( 0.770 0.221 0.246) 0.839 32.378 ( 1.938 0.606 0.173) 2.037 32.508 ( 2.097 0.151 0.423) 2.144 41.782 ( -4.872 9.858 -7.206) 13.147 42.254 ( -3.970 -9.581 6.101) 12.032 42.693 ( 0.440 7.541 5.505) 9.347 46.099 ( 7.250 -6.169 1.813) 9.691 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -20.238 -4.151 -6.162) 21.559 2.495 ( -26.565 4.811 2.798) 27.141 3.218 ( -17.121 -8.097 -2.949) 19.167 3.250 ( -4.528 -5.228 -3.346) 7.683 3.382 ( -2.923 -4.899 -0.278) 5.712 4.159 ( -7.005 6.651 -2.320) 9.934 4.429 ( 1.703 7.151 -0.726) 7.387 4.763 ( -35.550 -12.155 6.790) 38.179 5.373 ( 5.048 -2.443 -1.189) 5.733 5.502 ( 1.446 10.946 -1.846) 11.194 5.692 ( -2.491 -3.386 3.331) 5.363 6.076 ( -2.341 -1.407 3.479) 4.423 6.270 ( -6.626 -18.202 -3.418) 19.670 6.661 ( 2.847 0.682 -3.563) 4.611 6.824 ( -10.562 1.899 -1.190) 10.797 7.239 ( -3.978 0.669 1.459) 4.289 7.365 ( -6.207 2.128 1.206) 6.672 8.238 ( -11.636 -4.587 2.200) 12.699 9.149 ( -0.150 0.310 1.810) 1.842 9.866 ( 5.707 5.783 1.037) 8.191 11.172 ( 28.051 0.029 -4.321) 28.381 19.723 ( -0.169 2.604 -0.852) 2.745 19.939 ( -1.944 -0.593 0.198) 2.042 19.966 ( -2.937 -0.506 1.286) 3.246 20.096 ( -2.201 -3.605 0.282) 4.234 24.873 ( -0.359 0.001 -0.651) 0.743 25.267 ( 0.959 0.262 0.271) 1.030 32.425 ( 2.963 0.824 0.119) 3.078 32.550 ( 2.456 0.414 0.535) 2.547 41.768 ( -3.404 9.160 -7.384) 12.249 42.118 ( -4.346 -11.123 6.162) 13.438 42.787 ( -0.659 6.984 5.483) 8.904 46.178 ( 6.351 -4.289 5.230) 9.278 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -20.988 -3.439 -6.333) 22.190 2.021 ( -37.416 1.317 1.567) 37.472 2.728 ( -20.442 -10.814 -3.212) 23.348 3.137 ( -18.942 -0.088 0.029) 18.943 3.251 ( -9.288 -5.305 -1.596) 10.814 3.939 ( -37.770 -1.627 -1.770) 37.846 4.158 ( -5.577 -5.124 2.746) 8.056 4.534 ( 3.867 3.526 -0.122) 5.235 5.458 ( 6.000 0.262 1.256) 6.135 5.558 ( -2.186 3.967 0.844) 4.607 5.705 ( 2.505 3.955 -1.189) 4.830 5.948 ( -4.973 -11.622 -0.494) 12.651 6.101 ( -3.970 -2.550 -0.082) 4.719 6.678 ( -0.491 3.585 -2.775) 4.559 6.725 ( -2.328 -1.838 1.233) 3.212 7.166 ( -5.637 -0.183 0.773) 5.692 7.275 ( -6.655 0.417 0.591) 6.695 8.041 ( -10.250 -2.374 1.728) 10.662 9.157 ( -0.159 0.201 1.195) 1.223 10.011 ( 6.253 3.820 1.080) 7.406 11.587 ( 24.513 0.242 -2.458) 24.637 19.745 ( 0.500 2.387 -0.737) 2.548 19.875 ( -2.776 -2.386 0.880) 3.765 19.949 ( -2.265 2.235 0.487) 3.219 20.017 ( -3.294 -3.660 0.087) 4.925 24.864 ( -0.264 0.006 -0.724) 0.771 25.286 ( 0.955 0.181 0.162) 0.986 32.485 ( 3.441 0.646 0.032) 3.502 32.595 ( 2.281 0.344 0.380) 2.338 41.770 ( -2.033 6.968 -5.313) 8.995 41.976 ( -4.746 -8.695 4.568) 10.908 42.850 ( -0.662 3.992 3.672) 5.464 46.272 ( 5.126 -2.096 7.361) 9.212 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -20.166 -0.000 0.000) 20.166 1.370 ( -42.394 -0.000 0.000) 42.394 2.242 ( -41.415 -0.000 0.000) 41.415 2.669 ( -37.970 -0.000 0.000) 37.970 2.796 ( -24.716 -0.000 0.000) 24.716 3.628 ( -2.150 -0.000 0.000) 2.150 4.137 ( 0.935 0.000 -0.000) 0.935 4.619 ( 4.486 0.000 -0.000) 4.486 5.554 ( 4.450 0.000 -0.000) 4.450 5.561 ( 0.277 0.000 -0.000) 0.277 5.783 ( 2.428 0.000 -0.000) 2.428 5.784 ( -4.826 -0.000 0.000) 4.826 6.011 ( -6.016 -0.000 0.000) 6.016 6.678 ( -2.559 -0.000 0.000) 2.559 6.723 ( 3.889 0.000 -0.000) 3.889 7.080 ( -4.401 -0.000 0.000) 4.401 7.173 ( -6.231 -0.000 0.000) 6.231 7.879 ( -8.877 -0.000 0.000) 8.877 9.158 ( -0.177 -0.000 0.000) 0.177 10.139 ( 6.403 0.000 -0.000) 6.403 11.924 ( 17.501 0.000 -0.000) 17.501 19.771 ( 1.285 0.000 -0.000) 1.285 19.830 ( -1.442 -0.000 0.000) 1.442 19.926 ( -2.823 -0.000 0.000) 2.823 19.936 ( -3.578 -0.000 0.000) 3.578 24.858 ( -0.204 -0.000 0.000) 0.204 25.301 ( 0.762 0.000 -0.000) 0.762 32.542 ( 3.055 0.000 -0.000) 3.055 32.630 ( 1.698 0.000 -0.000) 1.698 41.771 ( -0.700 -0.000 0.000) 0.700 41.864 ( -4.817 -0.000 0.000) 4.817 42.873 ( 0.090 0.000 -0.000) 0.090 46.362 ( 3.913 0.000 -0.000) 3.913 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 15.573 29.748) 33.577 1.595 ( -0.000 38.323 5.145) 38.666 2.563 ( -0.000 13.687 2.138) 13.853 2.609 ( -0.000 50.592 1.311) 50.609 3.099 ( -0.000 24.068 1.774) 24.134 3.695 ( -0.000 11.418 3.287) 11.881 4.325 ( 0.000 -1.142 13.878) 13.925 4.589 ( 0.000 -6.324 0.602) 6.353 5.505 ( 0.000 -3.331 -2.180) 3.981 5.517 ( -0.000 2.690 -10.227) 10.575 5.615 ( 0.000 -6.577 3.026) 7.240 5.966 ( -0.000 9.614 1.201) 9.688 5.996 ( -0.000 1.735 -1.188) 2.102 6.614 ( 0.000 -6.755 -4.122) 7.913 6.671 ( -0.000 2.878 -2.861) 4.058 7.191 ( 0.000 5.607 4.882) 7.434 7.305 ( 0.000 8.359 7.914) 11.511 7.824 ( -0.000 9.859 -9.015) 13.359 9.184 ( -0.000 1.073 0.680) 1.270 10.163 ( 0.000 -0.495 2.285) 2.338 11.582 ( 0.000 -20.698 -15.809) 26.044 19.719 ( 0.000 -2.328 -0.840) 2.475 19.861 ( -0.000 2.550 -0.622) 2.625 19.922 ( -0.000 1.327 0.447) 1.400 19.985 ( -0.000 5.722 -0.253) 5.728 24.911 ( 0.000 -1.838 4.346) 4.719 25.291 ( 0.000 -0.885 -0.557) 1.045 32.529 ( 0.000 -3.217 0.157) 3.221 32.604 ( 0.000 -1.989 -1.479) 2.478 41.644 ( 0.000 -4.814 -1.599) 5.072 42.117 ( -0.000 12.962 9.501) 16.071 42.913 ( 0.000 0.412 1.345) 1.406 45.635 ( -0.000 21.043 -58.655) 62.315 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 1.817 16.408 26.834) 31.506 2.120 ( 15.815 35.228 4.686) 38.899 2.733 ( 5.607 18.273 4.410) 19.616 3.179 ( 13.559 19.099 1.952) 23.504 3.235 ( -0.106 11.715 0.263) 11.719 3.889 ( 6.776 15.863 1.411) 17.307 4.413 ( -4.123 18.369 8.886) 20.818 4.559 ( 1.299 -1.724 2.418) 3.241 5.390 ( -3.518 -4.611 -5.520) 8.006 5.562 ( 2.487 4.220 -4.168) 6.431 5.629 ( 7.967 -7.844 0.260) 11.184 5.938 ( -5.682 4.942 0.172) 7.533 6.081 ( -0.055 5.953 -0.588) 5.982 6.566 ( 4.020 -4.465 -4.993) 7.812 6.710 ( 3.411 2.944 -1.780) 4.844 7.270 ( 0.034 5.285 5.012) 7.284 7.404 ( -1.902 8.528 7.365) 11.427 7.914 ( 4.537 10.500 -9.259) 14.716 9.178 ( -2.120 1.467 0.159) 2.583 10.121 ( -4.948 -3.320 5.303) 7.977 11.311 ( 1.074 -25.644 -13.922) 29.199 19.721 ( 2.785 -1.788 -0.771) 3.398 19.864 ( -1.596 3.179 -1.120) 3.730 19.966 ( 3.162 1.090 0.434) 3.373 20.017 ( -2.181 5.266 -0.114) 5.701 24.910 ( -0.576 -0.927 3.226) 3.406 25.277 ( -0.318 -0.954 -0.705) 1.228 32.488 ( -1.269 -3.121 0.170) 3.373 32.571 ( -0.659 -2.202 -1.666) 2.839 41.655 ( 7.768 -4.951 -1.750) 9.376 42.221 ( -8.568 13.801 11.130) 19.692 42.899 ( -3.052 3.049 -0.234) 4.320 45.632 ( 10.281 8.768 -43.288) 45.348 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 3.238 15.834 22.281) 27.525 2.669 ( 7.888 31.757 3.595) 32.919 3.121 ( 19.075 14.934 7.646) 25.404 3.221 ( -0.172 -1.478 -0.197) 1.501 3.439 ( -0.103 3.787 5.453) 6.640 4.175 ( 11.792 7.910 -1.562) 14.285 4.537 ( 1.565 1.381 0.566) 2.163 4.710 ( -1.070 31.463 -0.204) 31.482 5.310 ( 2.570 -4.735 -0.023) 5.388 5.596 ( 0.628 0.793 -2.985) 3.152 5.689 ( -1.404 6.673 -2.757) 7.355 5.965 ( 11.411 -3.467 1.764) 12.056 6.083 ( -4.272 3.753 -1.038) 5.780 6.600 ( 5.490 -2.180 -3.457) 6.844 6.831 ( 6.323 6.784 -0.713) 9.302 7.318 ( -1.959 3.124 4.032) 5.464 7.482 ( -1.702 8.579 4.603) 9.884 8.070 ( 7.967 10.520 -8.289) 15.583 9.157 ( -2.030 1.677 -0.245) 2.645 10.005 ( -8.367 -2.985 3.828) 9.673 10.990 ( -1.793 -30.483 -8.508) 31.699 19.750 ( 1.852 -0.642 -0.210) 1.971 19.878 ( 0.970 3.112 -1.898) 3.772 20.017 ( -2.970 4.050 0.197) 5.026 20.034 ( 3.817 0.514 0.238) 3.859 24.908 ( -0.597 -0.262 2.339) 2.428 25.258 ( -0.440 -0.863 -0.795) 1.253 32.437 ( -1.829 -2.530 0.201) 3.128 32.529 ( -0.956 -2.213 -1.605) 2.896 41.773 ( 12.765 -4.314 -1.414) 13.548 42.222 ( -12.414 13.623 8.926) 20.478 42.877 ( -5.359 6.371 0.113) 8.326 45.668 ( 11.562 -2.060 -29.179) 31.454 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 2.532 13.954 17.414) 22.459 2.973 ( -1.027 18.734 3.658) 19.116 3.206 ( -0.991 3.241 1.113) 3.567 3.418 ( -2.593 -2.687 2.853) 4.700 3.643 ( 21.535 10.031 8.264) 25.153 4.344 ( -2.350 14.020 -1.812) 14.330 4.553 ( -3.292 7.560 1.769) 8.433 4.918 ( 7.378 4.271 -8.338) 11.925 5.331 ( 1.345 -6.533 1.157) 6.770 5.620 ( -0.345 11.596 -2.677) 11.906 5.716 ( -1.002 7.482 0.335) 7.556 6.022 ( -5.620 2.593 -1.766) 6.436 6.271 ( 26.504 -3.048 2.501) 26.796 6.634 ( 0.629 -0.188 -0.105) 0.665 7.003 ( 6.666 6.649 -0.925) 9.460 7.312 ( -2.558 1.704 1.077) 3.257 7.549 ( -2.443 8.821 2.315) 9.441 8.291 ( 11.699 11.185 -6.530) 17.453 9.142 ( -1.525 1.165 0.073) 1.920 9.832 ( -11.369 -3.057 0.867) 11.804 10.628 ( -2.455 -31.548 -3.612) 31.849 19.759 ( -0.755 1.058 0.118) 1.305 19.936 ( 4.076 1.730 -1.918) 4.825 20.003 ( -2.724 2.898 0.169) 3.981 20.094 ( 3.267 -0.434 0.244) 3.305 24.908 ( -0.560 0.049 1.649) 1.742 25.241 ( -0.320 -0.638 -0.727) 1.019 32.389 ( -1.650 -1.660 0.234) 2.353 32.487 ( -0.737 -2.059 -1.267) 2.527 41.956 ( 14.568 -3.817 -0.987) 15.092 42.181 ( -12.894 15.848 4.672) 20.958 42.833 ( -8.453 6.027 3.038) 10.816 45.687 ( 11.670 -8.766 -19.003) 23.961 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -1.953 10.476 12.529) 16.448 3.052 ( -0.977 2.254 2.823) 3.742 3.252 ( -1.043 4.868 2.316) 5.490 3.350 ( -6.060 3.340 -0.371) 6.930 4.013 ( 10.517 3.902 6.436) 12.933 4.386 ( -10.010 21.684 -3.406) 24.125 4.649 ( 4.322 9.313 4.886) 11.371 4.909 ( -2.581 -7.003 -8.250) 11.125 5.294 ( 4.764 -7.682 -0.778) 9.073 5.718 ( -4.516 15.805 1.478) 16.504 5.793 ( 3.495 1.936 -1.528) 4.278 5.952 ( -2.957 0.295 -0.185) 2.977 6.560 ( 2.239 -4.867 1.195) 5.489 6.742 ( 18.341 3.947 1.067) 18.791 7.122 ( 4.425 -1.036 -1.755) 4.872 7.299 ( -2.250 4.763 -0.378) 5.281 7.574 ( -5.650 8.719 0.704) 10.413 8.594 ( 15.734 10.900 -4.268) 19.611 9.133 ( -0.427 0.493 0.910) 1.119 9.575 ( -14.825 -6.630 -0.625) 16.253 10.338 ( 2.125 -25.491 -1.712) 25.636 19.754 ( -1.474 1.881 -0.044) 2.391 19.979 ( -1.552 2.041 0.093) 2.566 20.017 ( 3.791 0.367 -1.017) 3.942 20.129 ( 1.818 -1.318 0.133) 2.250 24.906 ( -0.604 0.128 1.019) 1.192 25.230 ( -0.003 -0.351 -0.485) 0.599 32.358 ( -0.972 -0.781 0.254) 1.273 32.459 ( 0.040 -1.710 -0.772) 1.877 42.071 ( -2.329 4.644 -3.235) 6.120 42.225 ( 2.724 10.770 3.045) 11.519 42.747 ( -9.769 2.975 6.332) 12.016 45.708 ( 12.372 -11.898 -11.716) 20.782 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -10.508 5.453 7.616) 14.077 3.055 ( -0.042 -1.653 2.269) 2.808 3.229 ( -2.412 -0.693 -2.726) 3.705 3.336 ( -4.652 9.578 1.976) 10.829 4.111 ( -2.892 -1.978 3.635) 5.049 4.411 ( -10.575 23.034 -1.672) 25.400 4.703 ( -8.275 -5.656 -5.619) 11.491 4.889 ( 9.948 8.577 5.715) 14.324 5.290 ( 3.049 -7.807 -2.430) 8.727 5.769 ( -10.765 17.818 2.029) 20.916 5.793 ( 2.153 -5.311 -4.652) 7.382 5.971 ( 3.349 -1.329 4.766) 5.974 6.524 ( -0.597 -1.246 -0.363) 1.429 6.942 ( 0.124 -6.670 -1.681) 6.880 7.127 ( 5.836 -6.326 -2.318) 8.913 7.332 ( -2.723 8.521 2.398) 9.261 7.554 ( -5.877 8.836 -0.659) 10.632 8.852 ( 3.958 -0.194 -1.425) 4.211 9.153 ( -0.697 -0.676 1.479) 1.769 9.344 ( -0.097 2.810 0.088) 2.813 10.216 ( 9.258 -18.306 -3.280) 20.774 19.748 ( -1.452 2.223 -0.324) 2.674 19.974 ( -1.416 2.308 0.315) 2.726 20.062 ( 2.425 -1.970 -0.028) 3.124 20.132 ( 0.543 -1.671 -0.207) 1.769 24.900 ( -0.685 0.093 0.453) 0.826 25.230 ( 0.388 -0.095 -0.176) 0.436 32.347 ( -0.020 -0.140 0.242) 0.280 32.452 ( 1.170 -1.128 -0.289) 1.650 42.028 ( -8.484 12.221 -6.645) 16.294 42.356 ( 0.809 0.273 4.707) 4.784 42.679 ( -4.038 3.674 7.377) 9.178 45.759 ( 13.179 -11.712 -6.338) 18.736 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -18.812 1.010 2.608) 19.019 3.054 ( -1.886 1.853 2.680) 3.765 3.180 ( -3.559 2.436 -1.831) 4.685 3.351 ( -2.148 4.438 0.060) 4.931 3.900 ( -14.205 -13.008 -2.400) 19.410 4.461 ( -9.676 22.217 0.825) 24.247 4.540 ( -8.434 2.061 -0.207) 8.685 5.120 ( 6.247 2.442 4.859) 8.282 5.234 ( 3.028 -7.207 -4.407) 8.974 5.725 ( -11.574 13.843 1.654) 18.120 5.763 ( -0.099 -3.751 -1.259) 3.958 6.037 ( 2.848 -0.463 3.813) 4.782 6.512 ( -0.062 -6.302 -1.991) 6.609 6.684 ( -10.849 -13.279 -2.913) 17.393 7.120 ( -2.901 -1.393 -1.797) 3.686 7.353 ( -4.455 4.868 3.018) 7.257 7.553 ( -4.443 7.190 -0.390) 8.461 8.670 ( -14.074 -6.749 0.527) 15.617 9.139 ( 0.753 -0.262 1.055) 1.323 9.616 ( 12.667 11.682 2.281) 17.382 10.283 ( 21.602 -13.460 -5.457) 26.031 19.747 ( -1.165 2.413 -0.498) 2.725 19.979 ( -1.020 2.478 0.148) 2.684 20.049 ( -1.074 -2.966 0.984) 3.304 20.120 ( 0.313 -2.341 -0.449) 2.404 24.890 ( -0.711 0.038 0.043) 0.714 25.239 ( 0.731 0.061 0.044) 0.734 32.357 ( 1.121 0.184 0.187) 1.151 32.472 ( 2.197 -0.461 0.048) 2.245 41.974 ( -8.565 14.213 -9.162) 18.955 42.277 ( -6.315 -9.961 8.691) 14.651 42.766 ( 2.104 7.239 4.788) 8.931 45.856 ( 13.205 -8.749 -2.336) 16.012 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -22.739 -0.757 -0.501) 22.757 2.984 ( -18.821 11.166 4.192) 22.282 3.171 ( 3.302 -1.009 -1.611) 3.809 3.356 ( 0.245 -1.088 -0.152) 1.126 3.448 ( -21.430 -13.861 -4.788) 25.968 4.399 ( -13.496 5.678 1.132) 14.685 4.517 ( -3.905 9.762 -0.243) 10.516 5.106 ( -8.111 -6.668 3.575) 11.092 5.245 ( 3.002 -1.614 -2.869) 4.455 5.688 ( -8.320 10.262 -0.648) 13.227 5.733 ( -4.115 6.002 3.846) 8.232 6.084 ( 1.216 -0.609 1.107) 1.754 6.177 ( -9.037 -23.826 -3.230) 25.686 6.618 ( 1.781 1.529 -1.362) 2.714 7.002 ( -9.555 0.349 -0.998) 9.613 7.320 ( -4.272 1.492 1.310) 4.711 7.506 ( -7.172 2.894 0.417) 7.745 8.405 ( -12.793 -2.945 0.639) 13.143 9.157 ( 0.478 0.154 0.820) 0.962 9.843 ( 4.851 5.629 1.629) 7.608 10.629 ( 32.792 -5.043 -3.624) 33.375 19.751 ( -0.688 2.009 -0.427) 2.167 19.969 ( -2.367 -0.556 -0.097) 2.433 20.014 ( -1.737 1.221 1.087) 2.385 20.086 ( -0.957 -3.362 -0.264) 3.505 24.879 ( -0.647 0.008 -0.134) 0.661 25.254 ( 0.954 0.089 0.095) 0.963 32.387 ( 2.297 0.246 0.094) 2.312 32.511 ( 2.745 -0.027 0.155) 2.750 41.928 ( -7.818 13.168 -8.870) 17.697 42.114 ( -5.015 -12.576 8.640) 16.061 42.869 ( 0.659 4.855 2.776) 5.631 45.995 ( 11.942 -4.247 0.221) 12.677 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -23.308 -0.000 0.000) 23.308 2.636 ( -33.566 -0.000 0.000) 33.566 2.988 ( -20.124 -0.000 0.000) 20.124 3.239 ( 2.886 0.000 -0.000) 2.886 3.328 ( -5.071 -0.000 0.000) 5.071 4.230 ( -9.481 -0.000 0.000) 9.481 4.525 ( -0.278 -0.000 0.000) 0.278 4.660 ( -41.235 -0.000 0.000) 41.235 5.335 ( 8.539 0.000 -0.000) 8.539 5.632 ( -4.062 -0.000 0.000) 4.062 5.731 ( -2.653 -0.000 0.000) 2.653 5.937 ( -3.114 -0.000 0.000) 3.114 6.115 ( 0.370 0.000 -0.000) 0.370 6.658 ( 2.588 0.000 -0.000) 2.588 6.836 ( -10.113 -0.000 0.000) 10.113 7.256 ( -4.965 -0.000 0.000) 4.965 7.397 ( -7.648 -0.000 0.000) 7.648 8.205 ( -11.012 -0.000 0.000) 11.012 9.162 ( -0.059 -0.000 0.000) 0.059 9.943 ( 4.847 0.000 -0.000) 4.847 11.125 ( 31.052 0.000 -0.000) 31.052 19.754 ( -0.132 -0.000 0.000) 0.132 19.914 ( -3.251 -0.000 0.000) 3.251 20.005 ( -1.930 -0.000 0.000) 1.930 20.035 ( -2.244 -0.000 0.000) 2.244 24.869 ( -0.511 -0.000 0.000) 0.511 25.271 ( 1.032 0.000 -0.000) 1.032 32.434 ( 3.183 0.000 -0.000) 3.183 32.557 ( 2.733 0.000 -0.000) 2.733 41.862 ( -5.788 -0.000 0.000) 5.788 42.002 ( -3.489 -0.000 0.000) 3.489 42.896 ( -0.923 -0.000 0.000) 0.923 46.152 ( 9.427 0.000 -0.000) 9.427 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 18.141 26.282) 31.935 2.314 ( -0.000 32.693 5.532) 33.158 2.863 ( -0.000 16.091 1.866) 16.199 3.204 ( -0.000 2.092 -0.661) 2.194 3.435 ( -0.000 28.481 4.269) 28.799 3.943 ( -0.000 4.317 3.290) 5.428 4.458 ( 0.000 -8.262 0.865) 8.307 4.795 ( -0.000 35.405 11.300) 37.165 5.379 ( 0.000 -7.154 -3.579) 7.999 5.426 ( -0.000 -5.346 -6.463) 8.388 5.582 ( -0.000 4.389 -2.183) 4.902 6.043 ( -0.000 6.186 -2.667) 6.736 6.185 ( -0.000 11.706 1.945) 11.866 6.454 ( -0.000 -4.933 -5.513) 7.398 6.673 ( -0.000 0.125 -2.376) 2.379 7.336 ( 0.000 4.541 3.967) 6.029 7.536 ( 0.000 6.201 9.435) 11.290 7.938 ( -0.000 12.304 -9.843) 15.756 9.213 ( -0.000 1.221 0.697) 1.406 10.143 ( 0.000 -7.943 8.773) 11.835 10.990 ( 0.000 -23.785 -18.180) 29.937 19.677 ( 0.000 -1.448 -0.501) 1.532 19.912 ( -0.000 3.919 -1.261) 4.117 19.944 ( -0.000 0.648 0.429) 0.777 20.085 ( -0.000 4.963 -0.261) 4.970 24.921 ( 0.000 -0.794 2.949) 3.054 25.266 ( 0.000 -1.053 -0.812) 1.330 32.471 ( 0.000 -3.044 0.286) 3.057 32.547 ( 0.000 -2.337 -1.807) 2.954 41.535 ( 0.000 -4.881 -1.660) 5.155 42.504 ( 0.000 15.374 14.935) 21.434 42.930 ( 0.000 -0.097 1.439) 1.443 45.432 ( -0.000 10.094 -43.136) 44.302 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -0.875 18.451 22.520) 29.126 2.757 ( 14.634 26.626 5.552) 30.886 3.094 ( 7.260 15.718 3.830) 17.732 3.205 ( 1.710 -0.152 -0.812) 1.899 3.585 ( -8.100 5.885 5.676) 11.509 4.095 ( 8.449 14.813 2.199) 17.194 4.449 ( 6.508 -5.198 1.123) 8.404 5.075 ( -9.863 21.279 -0.536) 23.460 5.247 ( 0.346 -3.574 -0.158) 3.594 5.502 ( 12.968 -2.186 0.953) 13.186 5.635 ( 1.555 8.104 -4.912) 9.603 6.019 ( -8.822 7.503 -4.331) 12.364 6.239 ( -5.758 8.489 2.326) 10.518 6.463 ( 6.876 -0.514 -3.333) 7.658 6.744 ( 8.465 2.539 -2.155) 9.097 7.383 ( -0.765 2.247 3.188) 3.975 7.606 ( -1.777 4.144 7.342) 8.616 8.044 ( 3.802 13.679 -9.085) 16.856 9.209 ( -2.037 1.443 0.502) 2.546 10.077 ( -2.698 -8.896 7.728) 12.089 10.677 ( -1.264 -25.727 -14.987) 29.801 19.689 ( 2.899 -1.039 -0.390) 3.104 19.917 ( -1.655 3.494 -1.116) 4.024 19.988 ( 2.833 1.174 0.027) 3.067 20.104 ( -2.510 3.848 -0.131) 4.596 24.925 ( -0.392 -0.343 2.406) 2.461 25.250 ( -0.202 -0.982 -0.879) 1.333 32.438 ( -0.986 -2.509 0.394) 2.725 32.512 ( -0.544 -2.237 -1.762) 2.899 41.550 ( 7.983 -4.397 -1.512) 9.238 42.608 ( -11.620 14.268 12.414) 22.197 42.965 ( 1.351 2.681 4.076) 5.062 45.366 ( 6.253 3.264 -35.088) 35.790 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -0.921 17.213 17.179) 24.336 3.093 ( -0.248 3.868 0.415) 3.898 3.311 ( 9.768 13.634 6.525) 17.997 3.452 ( -5.015 -4.827 2.772) 7.492 3.480 ( 11.953 16.237 7.269) 21.432 4.407 ( 8.869 15.534 0.974) 17.914 4.558 ( 8.368 -0.011 1.133) 8.444 4.942 ( -9.107 3.080 -8.232) 12.657 5.258 ( 0.510 -6.371 -0.569) 6.417 5.662 ( 1.241 9.081 -1.717) 9.324 5.852 ( 19.326 -4.723 1.601) 19.959 5.905 ( -8.055 13.698 -4.604) 16.545 6.224 ( -8.270 10.955 2.644) 13.979 6.589 ( 6.374 2.572 1.100) 6.960 6.917 ( 9.188 3.254 -2.363) 10.030 7.373 ( -2.813 0.541 1.099) 3.068 7.650 ( -0.312 4.175 3.537) 5.481 8.225 ( 7.028 14.925 -7.213) 18.005 9.187 ( -2.383 1.115 0.633) 2.706 9.970 ( -6.608 -4.910 3.915) 9.116 10.320 ( -2.381 -31.170 -8.679) 32.443 19.734 ( 3.381 -0.742 -0.190) 3.466 19.927 ( -0.376 3.753 -1.337) 4.002 20.042 ( 2.860 0.351 -0.066) 2.883 20.083 ( -3.435 2.517 0.214) 4.264 24.926 ( -0.580 -0.005 1.811) 1.902 25.235 ( -0.195 -0.758 -0.819) 1.133 32.400 ( -1.367 -1.645 0.463) 2.188 32.473 ( -0.736 -2.075 -1.477) 2.651 41.684 ( 13.483 -3.611 -1.139) 14.005 42.578 ( -13.393 16.084 4.941) 21.505 43.013 ( -4.124 3.553 9.032) 10.546 45.337 ( 9.014 -4.981 -25.264) 27.283 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -2.668 14.201 12.103) 18.848 3.071 ( -1.673 -3.130 2.388) 4.278 3.307 ( -4.014 -3.419 0.155) 5.275 3.533 ( -3.036 10.871 4.054) 11.993 3.909 ( 15.154 12.190 9.812) 21.784 4.616 ( 0.151 13.884 -1.950) 14.022 4.713 ( 5.640 6.511 -0.966) 8.668 4.851 ( -1.545 0.909 -3.307) 3.762 5.133 ( -0.471 -11.723 -5.080) 12.785 5.763 ( 3.209 3.041 1.057) 4.545 5.811 ( -1.924 2.581 -3.914) 5.068 6.193 ( -5.292 10.316 2.715) 11.908 6.275 ( 17.175 7.521 0.893) 18.771 6.673 ( 0.772 0.488 3.446) 3.565 7.027 ( 4.502 -2.893 -3.007) 6.138 7.367 ( -0.054 5.967 -0.807) 6.022 7.699 ( -0.657 4.699 0.938) 4.836 8.474 ( 10.318 14.296 -4.975) 18.318 9.160 ( -2.033 -0.088 1.303) 2.417 9.751 ( -15.582 -7.336 -1.768) 17.313 10.022 ( 4.616 -27.139 -1.520) 27.571 19.770 ( 1.375 0.112 -0.048) 1.381 19.963 ( 1.570 2.844 -1.194) 3.461 20.049 ( -2.958 1.629 0.281) 3.388 20.083 ( 2.332 -0.896 0.043) 2.499 24.923 ( -0.720 0.120 1.189) 1.395 25.224 ( 0.016 -0.458 -0.593) 0.749 32.371 ( -1.215 -0.672 0.468) 1.465 32.439 ( -0.325 -1.885 -1.034) 2.175 41.883 ( 14.578 -2.663 -0.865) 14.845 42.544 ( -12.421 19.503 -1.181) 23.153 42.972 ( -9.634 0.832 11.870) 15.310 45.329 ( 11.783 -10.403 -16.221) 22.587 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -8.334 9.008 7.831) 14.557 3.023 ( -0.122 -5.212 2.209) 5.662 3.244 ( -1.717 -0.483 -2.307) 2.916 3.532 ( -6.551 6.319 2.784) 9.519 4.203 ( 0.299 9.291 7.943) 12.227 4.684 ( -7.872 -0.896 -9.600) 12.447 4.715 ( 0.416 9.130 -1.482) 9.259 4.897 ( 3.460 9.100 6.074) 11.475 5.106 ( 9.074 -9.341 -2.642) 13.288 5.721 ( -3.147 -2.652 -5.474) 6.848 5.902 ( 5.194 1.958 3.402) 6.510 6.177 ( -12.836 17.361 2.617) 21.748 6.511 ( 2.823 -0.899 0.738) 3.053 6.775 ( 13.241 -2.468 0.563) 13.481 6.974 ( 0.283 -9.391 -3.512) 10.031 7.460 ( -0.172 10.476 1.735) 10.620 7.707 ( -3.919 4.765 -1.127) 6.271 8.747 ( 10.395 8.673 -2.842) 13.833 9.146 ( 0.309 -1.379 2.302) 2.701 9.423 ( -10.143 -7.713 -1.876) 12.880 9.905 ( 5.687 -17.099 -1.324) 18.069 19.782 ( -0.376 1.089 -0.175) 1.165 20.007 ( 1.456 1.323 -0.364) 2.001 20.026 ( -1.211 0.730 0.288) 1.443 20.101 ( 1.284 -1.530 -0.161) 2.004 24.916 ( -0.843 0.101 0.600) 1.039 25.221 ( 0.331 -0.186 -0.288) 0.477 32.354 ( -0.770 -0.014 0.349) 0.845 32.422 ( 0.736 -1.409 -0.531) 1.676 42.060 ( 8.789 -0.223 -1.771) 8.968 42.519 ( -10.666 15.822 -3.693) 19.436 42.860 ( -9.882 -0.449 11.881) 15.460 45.382 ( 14.775 -10.805 -8.664) 20.251 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -16.739 2.763 3.335) 17.290 3.015 ( 2.905 -2.235 0.634) 3.720 3.210 ( -0.922 0.247 -1.269) 1.588 3.508 ( -4.742 5.127 1.344) 7.112 4.079 ( -18.967 -2.548 0.298) 19.139 4.586 ( -0.967 0.823 -2.383) 2.700 4.808 ( -1.839 13.732 1.085) 13.897 5.079 ( -1.036 -5.245 1.104) 5.459 5.119 ( 7.113 2.936 1.828) 7.909 5.628 ( 2.104 -5.440 -4.610) 7.434 5.998 ( 3.618 -0.041 2.466) 4.379 6.118 ( -14.155 15.070 1.282) 20.715 6.511 ( -2.630 0.177 0.867) 2.775 6.677 ( -7.273 -14.877 -3.230) 16.872 7.054 ( 9.049 -1.103 -0.468) 9.128 7.505 ( -5.936 4.986 2.837) 8.256 7.674 ( -3.799 4.530 -1.742) 6.164 8.806 ( -7.228 -1.990 -0.464) 7.511 9.122 ( 0.315 -2.042 0.615) 2.155 9.496 ( 16.926 10.011 1.366) 19.713 9.860 ( 8.476 -14.625 -3.044) 17.176 19.781 ( -0.928 1.208 -0.224) 1.540 20.014 ( -0.917 1.013 0.193) 1.380 20.035 ( 0.800 -0.443 0.303) 0.964 20.096 ( 0.151 -1.496 -0.331) 1.539 24.904 ( -0.888 0.040 0.171) 0.905 25.228 ( 0.629 -0.026 -0.060) 0.632 32.349 ( 0.055 0.089 0.152) 0.184 32.433 ( 1.887 -0.576 -0.128) 1.978 42.131 ( -0.343 4.612 -4.134) 6.203 42.402 ( -13.090 0.238 2.441) 13.317 42.824 ( -1.150 3.414 4.726) 5.942 45.525 ( 16.350 -6.308 -3.076) 17.793 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -21.854 -0.000 0.000) 21.854 3.072 ( 4.648 0.000 -0.000) 4.648 3.206 ( -0.572 -0.000 0.000) 0.572 3.449 ( -7.470 -0.000 0.000) 7.470 3.702 ( -22.556 -0.000 0.000) 22.556 4.553 ( -4.154 -0.000 0.000) 4.154 4.789 ( -17.346 -0.000 0.000) 17.346 5.001 ( 7.362 0.000 -0.000) 7.362 5.239 ( 2.331 0.000 -0.000) 2.331 5.677 ( 5.648 0.000 -0.000) 5.648 6.025 ( -8.200 -0.000 0.000) 8.200 6.048 ( 1.992 0.000 -0.000) 1.992 6.245 ( -20.509 -0.000 0.000) 20.509 6.598 ( 1.476 0.000 -0.000) 1.476 7.101 ( -2.180 -0.000 0.000) 2.180 7.420 ( -6.624 -0.000 0.000) 6.624 7.627 ( -5.260 -0.000 0.000) 5.260 8.605 ( -13.451 -0.000 0.000) 13.451 9.142 ( 1.649 0.000 -0.000) 1.649 9.819 ( 3.435 0.000 -0.000) 3.435 10.039 ( 33.354 0.000 -0.000) 33.354 19.772 ( -0.873 -0.000 0.000) 0.873 20.000 ( -1.584 -0.000 0.000) 1.584 20.040 ( -0.162 -0.000 0.000) 0.162 20.080 ( -0.778 -0.000 0.000) 0.778 24.891 ( -0.819 -0.000 0.000) 0.819 25.240 ( 0.842 0.000 -0.000) 0.842 32.360 ( 1.212 0.000 -0.000) 1.212 32.467 ( 2.587 0.000 -0.000) 2.587 42.116 ( -3.386 -0.000 0.000) 3.386 42.174 ( -13.409 -0.000 0.000) 13.409 42.873 ( 2.210 0.000 -0.000) 2.210 45.749 ( 15.357 0.000 -0.000) 15.357 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.000 19.287 21.100) 28.586 2.873 ( -0.000 19.400 7.288) 20.724 3.166 ( 0.000 -2.471 -0.709) 2.570 3.201 ( -0.000 20.936 -1.970) 21.029 3.702 ( 0.000 -5.467 3.393) 6.434 4.248 ( -0.000 24.265 7.805) 25.490 4.314 ( 0.000 -8.439 2.156) 8.710 5.197 ( 0.000 -5.854 -3.719) 6.936 5.230 ( 0.000 -9.710 -3.876) 10.455 5.449 ( -0.000 18.674 3.669) 19.031 5.707 ( -0.000 12.036 -4.827) 12.968 6.173 ( -0.000 7.725 -1.584) 7.886 6.392 ( -0.000 7.944 -5.251) 9.522 6.399 ( -0.000 6.221 3.296) 7.040 6.651 ( -0.000 1.761 -2.260) 2.866 7.416 ( 0.000 0.578 2.310) 2.382 7.663 ( 0.000 -2.327 6.970) 7.348 8.119 ( -0.000 17.963 -8.384) 19.824 9.242 ( -0.000 1.188 0.571) 1.318 9.997 ( 0.000 -17.619 6.281) 18.705 10.435 ( -0.000 -16.263 -13.278) 20.995 19.656 ( 0.000 -0.510 -0.141) 0.530 19.955 ( 0.000 0.138 0.413) 0.436 19.981 ( -0.000 4.771 -1.436) 4.983 20.154 ( -0.000 2.500 -0.340) 2.523 24.937 ( 0.000 -0.199 2.124) 2.134 25.238 ( -0.000 -0.948 -0.897) 1.305 32.426 ( 0.000 -2.166 0.547) 2.234 32.488 ( -0.000 -1.926 -1.734) 2.591 41.439 ( 0.000 -3.739 -1.311) 3.962 42.937 ( 0.000 -0.476 1.185) 1.277 42.945 ( 0.000 13.915 18.485) 23.137 45.192 ( -0.000 4.262 -33.965) 34.231 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -3.506 18.576 16.099) 24.830 3.115 ( 0.450 1.891 0.446) 1.994 3.195 ( 12.897 6.864 7.103) 16.246 3.473 ( 4.663 9.891 0.773) 10.962 3.586 ( -1.712 3.939 -0.533) 4.328 4.318 ( 8.290 -6.400 3.867) 11.165 4.541 ( 3.349 18.032 6.586) 19.487 5.051 ( -6.599 -1.627 -7.006) 9.761 5.169 ( 1.919 -8.128 -1.379) 8.465 5.621 ( 6.791 1.423 -0.546) 6.960 5.764 ( -3.390 11.171 -2.831) 12.013 6.138 ( -8.650 7.077 -3.484) 11.707 6.455 ( -1.784 12.336 1.199) 12.522 6.507 ( 5.872 3.877 3.994) 8.091 6.773 ( 8.851 4.600 -4.154) 10.806 7.412 ( -1.322 -0.949 1.087) 1.957 7.655 ( 1.355 -5.054 3.772) 6.450 8.286 ( 2.089 21.102 -6.444) 22.162 9.237 ( -1.988 0.925 0.588) 2.270 9.856 ( 3.720 -22.560 1.081) 22.891 10.198 ( -8.543 -10.669 -5.939) 14.903 19.675 ( 2.583 -0.339 -0.074) 2.606 19.960 ( 0.046 1.306 -0.024) 1.307 20.023 ( 0.666 3.400 -0.979) 3.600 20.149 ( -2.267 1.050 -0.152) 2.503 24.942 ( -0.353 -0.003 1.643) 1.680 25.226 ( -0.068 -0.748 -0.798) 1.095 32.405 ( -0.675 -1.503 0.621) 1.761 32.460 ( -0.590 -1.577 -1.486) 2.246 41.469 ( 8.092 -2.884 -0.999) 8.648 42.882 ( -6.598 6.217 0.986) 9.119 43.147 ( -1.354 6.803 16.915) 18.282 45.092 ( 2.924 0.007 -27.145) 27.302 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -4.615 16.074 9.898) 19.433 3.084 ( -2.271 -3.430 2.384) 4.755 3.314 ( -3.888 -8.021 -2.251) 9.193 3.560 ( 11.591 4.986 6.793) 14.330 3.909 ( 9.561 20.143 4.578) 22.762 4.480 ( 17.048 -6.342 0.646) 18.201 4.719 ( 0.187 11.634 0.572) 11.649 4.934 ( -4.933 1.955 -3.011) 6.101 5.079 ( -4.015 -6.489 -3.893) 8.567 5.686 ( 7.713 -6.069 -1.382) 9.911 5.806 ( -1.072 3.406 -0.783) 3.656 6.127 ( 0.843 12.294 -1.511) 12.415 6.534 ( -6.368 15.310 2.545) 16.776 6.648 ( 4.931 -2.464 5.067) 7.487 6.897 ( 5.903 -0.762 -4.853) 7.680 7.402 ( 0.662 3.913 -0.849) 4.058 7.675 ( 4.710 -4.215 1.317) 6.457 8.497 ( 3.281 19.580 -4.385) 20.332 9.206 ( -2.735 0.126 1.113) 2.955 9.678 ( 2.206 -27.345 -3.172) 27.617 9.940 ( -11.657 -3.198 0.247) 12.090 19.722 ( 3.425 -0.388 -0.042) 3.447 19.981 ( 0.448 2.462 -0.313) 2.522 20.052 ( 0.665 1.304 -0.647) 1.600 20.109 ( -3.017 -0.029 0.217) 3.025 24.941 ( -0.633 0.087 1.044) 1.224 25.216 ( 0.034 -0.449 -0.550) 0.711 32.386 ( -0.867 -0.550 0.681) 1.232 32.427 ( -0.849 -1.416 -1.163) 2.019 41.623 ( 13.680 -1.913 -0.603) 13.827 42.853 ( -6.949 11.376 -3.365) 13.749 43.187 ( -8.211 1.523 16.028) 18.073 45.028 ( 5.866 -4.828 -17.500) 19.078 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -7.493 10.137 4.750) 13.471 2.998 ( -2.344 -6.438 1.889) 7.107 3.237 ( 0.429 -1.427 -1.883) 2.401 3.668 ( -3.452 1.536 2.187) 4.365 4.273 ( 10.976 13.892 8.384) 19.590 4.670 ( 8.498 -1.672 -0.850) 8.702 4.784 ( -9.240 -6.023 -6.585) 12.846 4.852 ( 7.810 2.849 -3.894) 9.180 4.970 ( -1.836 2.039 2.269) 3.560 5.768 ( -4.336 0.384 -2.313) 4.929 5.804 ( 10.291 -1.936 1.735) 10.614 6.357 ( 12.349 9.819 1.211) 15.823 6.547 ( -9.302 11.565 0.675) 14.857 6.635 ( -0.215 -8.124 2.335) 8.456 6.889 ( -0.054 -5.532 -3.333) 6.458 7.523 ( 4.745 9.037 0.476) 10.218 7.717 ( 3.517 -2.940 -0.463) 4.607 8.696 ( 5.264 11.207 -2.370) 12.607 9.169 ( -2.918 -0.249 2.057) 3.579 9.417 ( -3.862 -16.724 -2.989) 17.422 9.789 ( -4.445 -3.261 0.685) 5.555 19.768 ( 2.369 -0.119 -0.036) 2.372 20.011 ( 0.188 2.891 -0.446) 2.931 20.055 ( -0.813 -1.750 0.328) 1.957 20.073 ( -0.326 0.305 -0.166) 0.476 24.933 ( -0.843 0.063 0.442) 0.954 25.214 ( 0.245 -0.167 -0.234) 0.378 32.373 ( -1.116 0.343 0.586) 1.306 32.400 ( -0.025 -1.238 -0.749) 1.447 41.844 ( 14.801 -0.875 -0.320) 14.830 42.809 ( -9.720 10.504 -5.270) 15.250 43.082 ( -11.850 -1.588 11.094) 16.310 45.050 ( 10.958 -5.307 -7.408) 14.252 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -12.383 -0.000 0.000) 12.383 2.966 ( 1.404 0.000 -0.000) 1.404 3.228 ( -1.077 -0.000 0.000) 1.077 3.598 ( -4.815 -0.000 0.000) 4.815 4.417 ( -20.647 -0.000 0.000) 20.647 4.536 ( 6.289 0.000 -0.000) 6.289 4.811 ( 5.852 0.000 -0.000) 5.852 4.983 ( 8.182 0.000 -0.000) 8.182 5.049 ( 6.853 0.000 -0.000) 6.853 5.656 ( -7.997 -0.000 0.000) 7.997 5.935 ( 5.654 0.000 -0.000) 5.654 6.420 ( -12.863 -0.000 0.000) 12.863 6.557 ( -0.521 -0.000 0.000) 0.521 6.637 ( 4.568 0.000 -0.000) 4.568 6.864 ( 7.663 0.000 -0.000) 7.663 7.615 ( -1.576 -0.000 0.000) 1.576 7.722 ( -0.459 -0.000 0.000) 0.459 8.831 ( 4.103 0.000 -0.000) 4.103 9.118 ( -2.191 -0.000 0.000) 2.191 9.333 ( 4.887 0.000 -0.000) 4.887 9.736 ( 0.255 0.000 -0.000) 0.255 19.791 ( 0.408 0.000 -0.000) 0.408 20.028 ( -0.706 -0.000 0.000) 0.706 20.029 ( 0.108 0.000 -0.000) 0.108 20.081 ( 0.812 0.000 -0.000) 0.812 24.920 ( -0.937 -0.000 0.000) 0.937 25.218 ( 0.464 0.000 -0.000) 0.464 32.358 ( -0.956 -0.000 0.000) 0.956 32.404 ( 1.214 0.000 -0.000) 1.214 42.049 ( 10.164 0.000 -0.000) 10.164 42.653 ( -14.188 -0.000 0.000) 14.188 42.928 ( -8.427 -0.000 0.000) 8.427 45.223 ( 15.562 0.000 -0.000) 15.562 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -0.000 18.668 13.834) 23.235 3.123 ( 0.000 -1.956 0.803) 2.114 3.167 ( 0.000 6.487 5.909) 8.774 3.523 ( 0.000 -12.803 -1.713) 12.917 3.571 ( -0.000 20.080 -5.429) 20.801 4.199 ( 0.000 -7.151 4.790) 8.607 4.727 ( -0.000 14.071 9.497) 16.976 5.016 ( 0.000 -8.642 -3.071) 9.172 5.106 ( -0.000 0.295 -2.988) 3.002 5.596 ( -0.000 2.611 -3.610) 4.455 5.914 ( -0.000 14.195 -4.161) 14.793 6.229 ( 0.000 0.614 0.835) 1.037 6.391 ( 0.000 -8.170 2.805) 8.638 6.636 ( -0.000 15.094 -2.463) 15.294 6.761 ( -0.000 8.899 -0.704) 8.926 7.406 ( 0.000 -2.678 0.877) 2.818 7.580 ( 0.000 -9.348 1.928) 9.544 8.467 ( -0.000 25.229 -4.562) 25.638 9.265 ( -0.000 0.808 0.335) 0.875 9.597 ( 0.000 -24.457 -1.395) 24.497 10.183 ( 0.000 -5.656 -1.728) 5.914 19.652 ( 0.000 0.003 0.030) 0.030 19.959 ( 0.000 -0.078 0.270) 0.281 20.058 ( -0.000 4.691 -1.023) 4.801 20.168 ( 0.000 -0.621 -0.190) 0.649 24.952 ( 0.000 0.040 1.210) 1.211 25.216 ( -0.000 -0.574 -0.635) 0.856 32.400 ( 0.000 -1.160 0.551) 1.285 32.447 ( -0.000 -0.950 -1.154) 1.495 41.375 ( 0.000 -1.975 -0.711) 2.099 42.937 ( 0.000 -0.418 0.666) 0.786 43.333 ( 0.000 8.701 15.545) 17.814 44.960 ( -0.000 0.926 -22.258) 22.278 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -6.386 15.891 7.146) 18.557 3.101 ( -1.789 -2.323 3.076) 4.249 3.266 ( -1.706 -7.493 -3.554) 8.467 3.417 ( 10.258 -0.811 3.453) 10.854 3.879 ( 17.290 15.749 -4.258) 23.772 4.205 ( 5.694 -8.703 4.796) 11.453 4.835 ( -2.072 6.474 2.493) 7.240 4.950 ( 0.523 -4.629 -1.196) 4.810 5.087 ( -2.129 0.737 -0.750) 2.375 5.583 ( -0.975 -0.240 -2.629) 2.815 5.918 ( -7.839 4.974 -0.649) 9.306 6.233 ( -1.064 7.332 -2.188) 7.725 6.454 ( 12.204 -7.661 3.516) 14.833 6.741 ( -0.823 9.665 0.665) 9.722 6.829 ( 0.776 2.581 -2.099) 3.416 7.411 ( 2.140 2.162 -0.311) 3.058 7.527 ( 3.617 -8.898 0.770) 9.635 8.667 ( -1.318 20.848 -2.593) 21.050 9.251 ( -2.083 -0.280 0.570) 2.178 9.401 ( 2.757 -20.371 -1.232) 20.593 10.075 ( -7.658 -2.448 -0.175) 8.042 19.672 ( 2.278 -0.032 0.015) 2.278 19.971 ( 1.347 0.104 0.132) 1.357 20.085 ( -1.172 3.644 -0.729) 3.896 20.141 ( -1.756 -1.729 0.122) 2.467 24.954 ( -0.367 0.047 0.612) 0.715 25.210 ( 0.029 -0.284 -0.337) 0.442 32.392 ( -0.274 -0.509 0.399) 0.702 32.429 ( -0.870 -0.532 -0.680) 1.225 41.427 ( 8.159 -0.990 -0.346) 8.226 42.940 ( 0.081 1.351 -0.456) 1.428 43.405 ( -6.258 3.842 9.624) 12.105 44.884 ( 0.798 -0.687 -11.899) 11.945 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -8.638 -0.000 0.000) 8.638 3.008 ( -4.270 -0.000 0.000) 4.270 3.199 ( 1.616 0.000 -0.000) 1.616 3.638 ( 9.757 0.000 -0.000) 9.757 4.220 ( 5.835 0.000 -0.000) 5.835 4.333 ( 23.571 0.000 -0.000) 23.571 4.839 ( -0.869 -0.000 0.000) 0.869 4.892 ( -5.913 -0.000 0.000) 5.913 5.036 ( -4.268 -0.000 0.000) 4.268 5.611 ( 8.148 0.000 -0.000) 8.148 5.831 ( -4.546 -0.000 0.000) 4.546 6.294 ( 3.392 0.000 -0.000) 3.392 6.572 ( 5.032 0.000 -0.000) 5.032 6.745 ( -6.870 -0.000 0.000) 6.870 6.839 ( 2.105 0.000 -0.000) 2.105 7.493 ( 3.932 0.000 -0.000) 3.932 7.577 ( 8.833 0.000 -0.000) 8.833 8.735 ( -1.596 -0.000 0.000) 1.596 9.227 ( -1.924 -0.000 0.000) 1.924 9.318 ( 1.064 0.000 -0.000) 1.064 9.913 ( -10.178 -0.000 0.000) 10.178 19.718 ( 3.291 0.000 -0.000) 3.291 20.002 ( 2.143 0.000 -0.000) 2.143 20.073 ( -2.325 -0.000 0.000) 2.325 20.098 ( -1.927 -0.000 0.000) 1.927 24.947 ( -0.671 -0.000 0.000) 0.671 25.209 ( 0.132 0.000 -0.000) 0.132 32.388 ( -0.067 -0.000 0.000) 0.067 32.404 ( -1.532 -0.000 0.000) 1.532 41.602 ( 13.749 0.000 -0.000) 13.749 42.937 ( -2.535 -0.000 0.000) 2.535 43.299 ( -11.323 -0.000 0.000) 11.323 44.885 ( 4.367 0.000 -0.000) 4.367 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( -0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.749 ( -0.000 0.000 -0.000) 0.000 4.153 ( -0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 4.907 ( -0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.605 ( -0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 -0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 7.374 ( -0.000 0.000 0.000) 0.000 7.473 ( -0.000 0.000 0.000) 0.000 8.804 ( 0.000 -0.000 0.000) 0.000 9.246 ( -0.000 0.000 0.000) 0.000 9.275 ( -0.000 0.000 0.000) 0.000 10.126 ( 0.000 0.000 0.000) 0.000 19.653 ( -0.000 0.000 0.000) 0.000 19.959 ( -0.000 0.000 0.000) 0.000 20.120 ( 0.000 -0.000 0.000) 0.000 20.139 ( -0.000 0.000 -0.000) 0.000 24.959 ( 0.000 0.000 0.000) 0.000 25.207 ( 0.000 0.000 0.000) 0.000 32.392 ( 0.000 0.000 0.000) 0.000 32.433 ( -0.000 0.000 -0.000) 0.000 41.354 ( -0.000 0.000 0.000) 0.000 42.936 ( 0.000 0.000 0.000) 0.000 43.503 ( -0.000 0.000 -0.000) 0.000 44.850 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( 0.000 -0.000 20.172) 20.172 0.286 ( 0.000 -0.000 20.172) 20.172 0.659 ( 0.000 -0.000 45.459) 45.459 2.259 ( 0.000 -0.000 1.406) 1.406 2.259 ( 0.000 -0.000 1.406) 1.406 3.659 ( 0.000 -0.000 0.023) 0.023 4.706 ( 0.000 -0.000 0.528) 0.528 5.523 ( -0.000 0.000 -7.936) 7.936 5.523 ( -0.000 0.000 -7.936) 7.936 5.715 ( -0.000 0.000 -9.137) 9.137 5.772 ( 0.000 -0.000 7.986) 7.986 5.772 ( 0.000 -0.000 7.986) 7.986 5.805 ( -0.000 0.000 -0.353) 0.353 6.557 ( -0.000 0.000 -3.976) 3.976 6.557 ( -0.000 0.000 -3.976) 3.976 7.047 ( 0.000 -0.000 3.635) 3.635 7.047 ( 0.000 -0.000 3.635) 3.635 7.728 ( 0.000 -0.000 2.236) 2.236 9.149 ( 0.000 0.000 -0.600) 0.600 9.149 ( -0.000 0.000 -0.600) 0.600 12.028 ( -0.000 0.000 -0.024) 0.024 19.823 ( 0.000 0.000 -0.824) 0.824 19.823 ( -0.000 0.000 -0.824) 0.824 19.847 ( 0.000 -0.000 0.739) 0.739 19.847 ( -0.000 -0.000 0.739) 0.739 25.176 ( -0.000 0.000 -0.562) 0.562 25.316 ( 0.000 -0.000 0.206) 0.206 32.615 ( 0.000 -0.000 0.114) 0.114 32.658 ( -0.000 0.000 -0.094) 0.094 41.783 ( 0.000 -0.000 2.128) 2.128 41.783 ( 0.000 -0.000 2.128) 2.128 42.864 ( -0.000 0.000 -2.571) 2.571 42.864 ( -0.000 0.000 -2.571) 2.571 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 7.551 4.359 34.532) 35.616 0.861 ( 31.314 18.079 9.094) 37.284 1.532 ( 58.846 33.975 11.170) 68.861 2.352 ( 8.152 4.707 1.309) 9.504 2.500 ( 19.486 11.250 2.523) 22.641 3.635 ( -2.026 -1.170 -0.110) 2.342 4.601 ( -29.071 -16.784 26.951) 43.049 4.678 ( -2.843 -1.641 0.622) 3.341 5.471 ( -0.583 -0.337 -4.831) 4.878 5.505 ( -0.563 -0.325 -8.660) 8.684 5.799 ( -1.026 -0.592 0.310) 1.225 5.902 ( 5.621 3.245 6.649) 9.292 5.926 ( 0.073 0.042 0.782) 0.787 6.570 ( 3.814 2.202 -5.561) 7.093 6.763 ( -0.177 -0.102 -4.422) 4.427 7.072 ( 1.062 0.613 3.959) 4.144 7.111 ( 4.043 2.334 3.424) 5.790 7.689 ( 3.652 2.108 -5.773) 7.149 9.133 ( -0.466 -0.269 -1.451) 1.548 9.924 ( 21.750 12.557 -17.934) 30.860 12.001 ( -3.033 -1.751 -8.517) 9.209 19.793 ( 0.200 0.116 -1.686) 1.702 19.802 ( -2.149 -1.241 0.651) 2.566 19.869 ( 1.963 1.133 -0.444) 2.310 19.906 ( 3.112 1.797 0.507) 3.629 24.989 ( -7.241 -4.180 7.982) 11.559 25.305 ( -0.549 -0.317 -0.319) 0.710 32.584 ( -2.241 -1.294 0.504) 2.636 32.636 ( -1.190 -0.687 -0.933) 1.661 41.800 ( 2.874 1.659 0.608) 3.373 41.822 ( 0.248 0.143 4.978) 4.986 42.796 ( -2.609 -1.506 -5.602) 6.361 44.836 ( 82.554 47.662 -90.917) 131.729 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 8.642 4.990 32.286) 33.793 1.553 ( 28.866 16.666 5.473) 33.777 2.620 ( 15.975 9.223 2.031) 18.558 2.754 ( 43.789 25.282 7.367) 51.097 3.024 ( 27.816 16.059 1.473) 32.152 3.611 ( 3.291 1.900 -1.460) 4.071 4.318 ( -10.226 -5.904 10.787) 15.993 4.590 ( -5.451 -3.147 0.510) 6.315 5.455 ( -0.624 -0.360 -5.870) 5.914 5.460 ( 1.292 0.746 -2.228) 2.682 5.748 ( -3.967 -2.290 -0.043) 4.581 5.928 ( 0.701 0.405 -2.330) 2.467 6.089 ( 9.339 5.392 4.349) 11.628 6.644 ( 4.762 2.749 -5.205) 7.572 6.698 ( -2.758 -1.593 0.213) 3.192 7.127 ( 2.224 1.284 3.932) 4.696 7.221 ( 4.047 2.336 3.871) 6.068 7.804 ( 9.555 5.516 -8.762) 14.089 9.117 ( -0.253 -0.146 -1.881) 1.904 10.046 ( -1.601 -0.924 -0.646) 1.958 11.813 ( -10.308 -5.951 -8.364) 14.547 19.762 ( -1.879 -1.085 0.677) 2.273 19.815 ( 2.696 1.557 -2.338) 3.893 19.902 ( 1.297 0.749 -0.240) 1.517 19.984 ( 3.933 2.271 0.144) 4.544 24.927 ( -2.417 -1.395 4.473) 5.272 25.288 ( -0.785 -0.453 -0.622) 1.100 32.528 ( -3.013 -1.740 0.137) 3.482 32.600 ( -1.614 -0.932 -1.488) 2.385 41.840 ( -1.197 -0.691 6.585) 6.729 41.907 ( 6.526 3.768 0.580) 7.558 42.705 ( -2.802 -1.618 -7.257) 7.946 45.584 ( 29.889 17.256 -51.719) 62.177 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 9.177 5.298 27.757) 29.711 2.123 ( 21.863 12.623 3.490) 25.486 3.043 ( 21.634 12.490 2.960) 25.155 3.257 ( 6.197 3.578 1.629) 7.338 3.402 ( 5.153 2.975 5.207) 7.907 4.136 ( 31.919 18.428 0.208) 36.857 4.212 ( 4.407 2.545 0.210) 5.094 4.463 ( -6.107 -3.526 0.439) 7.065 5.435 ( 0.580 0.335 -0.726) 0.988 5.504 ( 2.225 1.285 1.250) 2.857 5.632 ( -5.331 -3.078 -3.394) 7.029 5.943 ( 2.643 1.526 -5.128) 5.968 6.332 ( 11.177 6.453 2.383) 13.124 6.700 ( 3.399 1.963 1.140) 4.087 6.701 ( 2.359 1.362 -3.665) 4.567 7.197 ( 2.367 1.366 3.374) 4.342 7.310 ( 2.226 1.285 4.005) 4.758 7.996 ( 12.007 6.932 -8.305) 16.162 9.106 ( 0.053 0.030 -1.706) 1.707 9.942 ( -7.452 -4.303 2.761) 9.037 11.494 ( -15.747 -9.092 -5.730) 19.065 19.730 ( -1.340 -0.774 0.585) 1.654 19.881 ( 4.388 2.533 -2.387) 5.601 19.921 ( 0.504 0.291 -0.041) 0.584 20.069 ( 3.753 2.167 -0.106) 4.335 24.909 ( -1.063 -0.614 2.785) 3.044 25.267 ( -0.829 -0.479 -0.782) 1.236 32.462 ( -3.055 -1.764 0.044) 3.528 32.555 ( -1.735 -1.002 -1.601) 2.565 41.833 ( -2.232 -1.289 5.964) 6.498 42.070 ( 7.685 4.437 1.927) 9.081 42.615 ( -2.317 -1.338 -6.535) 7.061 45.836 ( 14.203 8.200 -30.546) 34.670 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 7.287 4.207 22.665) 24.176 2.530 ( 14.922 8.615 2.977) 17.486 3.259 ( -1.855 -1.071 -0.015) 2.142 3.477 ( -1.468 -0.848 2.408) 2.945 3.513 ( 18.826 10.869 1.653) 21.801 4.151 ( -1.518 -0.876 3.478) 3.895 4.372 ( -1.254 -0.724 1.466) 2.061 4.866 ( 25.177 14.536 -5.835) 29.652 5.399 ( -11.124 -6.423 -0.167) 12.846 5.472 ( 1.723 0.995 4.147) 4.599 5.645 ( 6.525 3.767 -2.876) 8.065 5.999 ( 4.409 2.546 -4.326) 6.681 6.544 ( 5.780 3.337 -0.266) 6.680 6.737 ( 4.301 2.483 -1.270) 5.126 6.875 ( 12.330 7.119 0.508) 14.246 7.246 ( 0.421 0.243 2.718) 2.761 7.348 ( -0.163 -0.094 3.017) 3.023 8.243 ( 14.794 8.541 -6.880) 18.416 9.104 ( 0.384 0.222 -0.905) 1.007 9.774 ( -9.182 -5.301 1.555) 10.715 11.107 ( -17.477 -10.090 -3.323) 20.452 19.710 ( -0.736 -0.425 0.355) 0.922 19.925 ( -0.123 -0.071 0.139) 0.199 19.973 ( 4.953 2.860 -1.990) 6.056 20.137 ( 2.493 1.439 -0.133) 2.882 24.903 ( -0.587 -0.339 1.868) 1.987 25.247 ( -0.607 -0.350 -0.757) 1.031 32.403 ( -2.361 -1.363 0.089) 2.727 32.514 ( -1.393 -0.804 -1.340) 2.094 41.802 ( -2.603 -1.503 2.876) 4.160 42.237 ( 6.303 3.639 3.818) 8.218 42.551 ( -1.268 -0.732 -3.217) 3.534 45.948 ( 8.015 4.628 -19.240) 21.350 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 1.947 1.124 17.024) 17.172 2.794 ( 8.074 4.661 3.324) 9.898 3.239 ( 0.108 0.063 0.634) 0.646 3.388 ( -5.538 -3.198 -1.190) 6.505 3.770 ( 5.028 2.903 -1.625) 6.029 4.157 ( 0.196 0.113 4.396) 4.402 4.500 ( 11.964 6.907 3.507) 14.253 5.105 ( -15.019 -8.671 -4.121) 17.825 5.186 ( 9.018 5.206 -6.247) 12.143 5.532 ( 0.982 0.567 6.640) 6.737 5.788 ( 6.596 3.808 0.407) 7.627 6.062 ( 2.413 1.393 -1.751) 3.291 6.547 ( -2.366 -1.366 -2.422) 3.651 6.900 ( 8.754 5.054 -0.151) 10.109 7.160 ( 11.757 6.788 -2.959) 13.894 7.231 ( -2.968 -1.714 2.208) 4.077 7.345 ( -0.665 -0.384 2.598) 2.709 8.582 ( 19.352 11.173 -4.660) 22.827 9.113 ( 0.569 0.329 0.308) 0.726 9.545 ( -13.083 -7.554 0.448) 15.114 10.760 ( -12.273 -7.086 -2.719) 14.430 19.700 ( -0.343 -0.198 -0.017) 0.397 19.920 ( -0.294 -0.170 0.314) 0.462 20.066 ( 4.214 2.433 -1.268) 5.028 20.169 ( 0.531 0.307 -0.036) 0.614 24.899 ( -0.472 -0.272 1.190) 1.309 25.235 ( -0.193 -0.111 -0.532) 0.577 32.364 ( -1.252 -0.723 0.185) 1.458 32.486 ( -0.616 -0.355 -0.843) 1.103 41.752 ( -2.263 -1.307 -1.350) 2.942 42.364 ( 3.170 1.830 5.567) 6.662 42.534 ( 0.105 0.061 1.309) 1.314 46.013 ( 5.376 3.104 -12.462) 13.922 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -6.905 -3.987 11.062) 13.636 2.892 ( -0.804 -0.464 3.388) 3.513 3.231 ( -2.103 -1.214 -1.544) 2.878 3.326 ( 2.224 1.284 0.183) 2.575 3.812 ( 1.290 0.745 -1.139) 1.875 4.188 ( -0.141 -0.082 6.313) 6.315 4.700 ( -14.483 -8.362 -3.984) 17.192 4.845 ( 11.753 6.786 -1.333) 13.637 5.268 ( 2.623 1.514 -6.175) 6.878 5.554 ( -2.621 -1.513 7.507) 8.094 5.897 ( 1.657 0.957 4.205) 4.620 6.090 ( 0.965 0.557 -0.210) 1.134 6.493 ( -0.142 -0.082 -4.143) 4.146 7.021 ( -0.254 -0.146 -1.457) 1.486 7.175 ( -0.529 -0.306 2.658) 2.728 7.237 ( -1.680 -0.970 -6.736) 7.010 7.381 ( 1.136 0.656 3.293) 3.544 8.918 ( 3.774 2.179 -1.468) 4.599 9.129 ( 0.477 0.275 1.522) 1.618 9.298 ( -1.114 -0.643 0.379) 1.340 10.595 ( -0.920 -0.531 -4.628) 4.748 19.693 ( -0.226 -0.131 -0.459) 0.528 19.918 ( -0.006 -0.004 0.464) 0.464 20.129 ( 1.212 0.700 -0.147) 1.407 20.163 ( -0.427 -0.246 -0.188) 0.527 24.893 ( -0.501 -0.289 0.632) 0.856 25.234 ( 0.265 0.153 -0.220) 0.377 32.352 ( -0.007 -0.004 0.280) 0.280 32.481 ( 0.417 0.241 -0.336) 0.587 41.697 ( -1.329 -0.768 -4.773) 5.014 42.421 ( -0.717 -0.414 6.916) 6.965 42.567 ( 1.459 0.843 5.017) 5.293 46.067 ( 4.432 2.559 -8.132) 9.608 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -14.840 -8.568 5.880) 18.117 2.798 ( -9.006 -5.199 3.461) 10.960 3.201 ( 0.777 0.448 -1.902) 2.103 3.415 ( 4.170 2.408 1.607) 5.076 3.782 ( -7.361 -4.250 -0.711) 8.529 4.192 ( -2.744 -1.584 5.811) 6.618 4.346 ( -9.629 -5.560 -6.802) 13.035 5.125 ( 12.055 6.960 -1.615) 14.013 5.259 ( -1.663 -0.960 -3.740) 4.204 5.481 ( -6.931 -4.002 5.680) 9.814 5.882 ( -4.922 -2.842 5.967) 8.241 6.113 ( 0.804 0.464 1.702) 1.939 6.511 ( 2.878 1.662 -5.140) 6.121 6.881 ( -8.892 -5.134 -1.586) 10.389 7.056 ( -11.915 -6.879 -7.521) 15.680 7.233 ( 2.108 1.217 2.637) 3.589 7.390 ( -1.132 -0.653 3.368) 3.613 8.664 ( -16.489 -9.520 0.460) 19.045 9.146 ( 0.206 0.119 2.328) 2.341 9.550 ( 13.536 7.815 1.050) 15.665 10.690 ( 12.493 7.213 -7.395) 16.211 19.687 ( -0.017 -0.010 -0.823) 0.824 19.924 ( 0.258 0.149 0.525) 0.604 20.093 ( -3.315 -1.914 0.395) 3.848 20.171 ( -0.009 -0.005 0.108) 0.109 24.884 ( -0.523 -0.302 0.242) 0.650 25.244 ( 0.635 0.367 0.009) 0.734 32.366 ( 1.215 0.701 0.326) 1.440 32.500 ( 1.391 0.803 -0.010) 1.606 41.655 ( -0.028 -0.016 -6.545) 6.545 42.400 ( -4.525 -2.613 7.855) 9.434 42.639 ( 2.414 1.394 6.978) 7.514 46.128 ( 4.291 2.477 -5.465) 7.377 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -18.689 -10.790 3.454) 21.855 2.552 ( -15.734 -9.084 4.456) 18.707 3.235 ( 2.575 1.487 -1.636) 3.394 3.415 ( -22.145 -12.786 -5.037) 26.063 3.472 ( -1.343 -0.776 3.295) 3.642 4.115 ( -5.581 -3.222 0.002) 6.444 4.310 ( 5.225 3.017 -2.072) 6.380 5.047 ( -22.010 -12.708 6.575) 26.252 5.336 ( 8.588 4.958 -2.586) 10.248 5.391 ( -0.178 -0.103 -1.154) 1.173 5.781 ( -5.888 -3.400 4.141) 7.961 6.124 ( -1.579 -0.912 3.697) 4.122 6.465 ( -7.151 -4.129 -5.285) 9.804 6.737 ( -10.164 -5.868 -7.199) 13.768 6.737 ( -2.534 -1.463 -1.807) 3.439 7.255 ( -1.454 -0.839 3.328) 3.727 7.371 ( -2.609 -1.506 4.105) 5.092 8.354 ( -12.370 -7.142 -0.109) 14.284 9.160 ( -0.052 -0.030 2.540) 2.541 9.777 ( 7.684 4.436 2.248) 9.153 11.026 ( 20.946 12.093 -8.929) 25.782 19.687 ( 0.558 0.322 -1.037) 1.221 19.931 ( 0.089 0.051 0.510) 0.520 20.013 ( -4.136 -2.388 0.428) 4.796 20.148 ( -2.316 -1.337 0.567) 2.734 24.874 ( -0.477 -0.275 0.088) 0.558 25.260 ( 0.847 0.489 0.068) 0.980 32.406 ( 2.270 1.311 0.287) 2.637 32.537 ( 1.987 1.147 0.042) 2.294 41.636 ( 1.343 0.775 -6.783) 6.958 42.307 ( -7.585 -4.379 8.314) 12.077 42.730 ( 2.673 1.544 7.256) 7.885 46.198 ( 4.419 2.551 -4.544) 6.832 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -19.597 -11.314 5.105) 23.197 2.145 ( -24.862 -14.354 4.590) 29.073 2.920 ( -19.793 -11.428 -4.598) 23.313 3.237 ( -8.348 -4.820 -0.382) 9.647 3.331 ( -9.853 -5.688 1.302) 11.451 3.963 ( -9.023 -5.210 -5.515) 11.789 4.441 ( -31.819 -18.371 11.593) 38.528 4.447 ( 7.007 4.045 -0.266) 8.095 5.440 ( 4.190 2.419 -0.786) 4.902 5.472 ( 4.824 2.785 -0.288) 5.578 5.694 ( -2.534 -1.463 -0.910) 3.064 6.070 ( -4.136 -2.388 2.109) 5.221 6.217 ( -11.730 -6.772 -4.235) 14.191 6.601 ( 0.570 0.329 -4.711) 4.757 6.733 ( 0.153 0.088 -1.332) 1.344 7.208 ( -4.264 -2.462 3.832) 6.239 7.311 ( -4.866 -2.809 4.498) 7.197 8.118 ( -9.671 -5.583 -1.158) 11.226 9.168 ( -0.262 -0.151 2.196) 2.217 9.944 ( 7.071 4.082 3.741) 8.981 11.440 ( 20.883 12.057 -10.081) 26.136 19.702 ( 1.333 0.769 -1.112) 1.899 19.929 ( -3.731 -2.154 0.443) 4.331 19.930 ( -0.470 -0.271 0.491) 0.732 20.081 ( -4.068 -2.349 0.572) 4.732 24.866 ( -0.373 -0.215 0.300) 0.525 25.279 ( 0.879 0.507 -0.020) 1.015 32.464 ( 2.905 1.677 0.171) 3.359 32.581 ( 2.054 1.186 -0.176) 2.378 41.647 ( 2.439 1.408 -5.787) 6.436 42.163 ( -9.255 -5.344 8.023) 13.363 42.816 ( 2.149 1.241 6.142) 6.624 46.267 ( 4.367 2.521 -7.313) 8.883 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -17.961 -10.370 13.783) 24.902 1.534 ( -32.906 -18.998 3.195) 38.131 2.555 ( -13.205 -7.624 -0.930) 15.277 2.621 ( -44.646 -25.776 -2.359) 51.607 3.059 ( -24.541 -14.169 3.191) 28.517 3.659 ( -7.400 -4.272 1.767) 8.725 4.164 ( -1.933 -1.116 6.414) 6.791 4.584 ( 5.450 3.147 0.185) 6.296 5.530 ( 3.851 2.223 -0.913) 4.539 5.548 ( 1.943 1.122 3.478) 4.139 5.667 ( 1.351 0.780 -7.167) 7.334 5.969 ( -9.299 -5.369 -1.837) 10.894 5.998 ( -3.021 -1.744 1.197) 3.688 6.659 ( 5.348 3.088 -2.243) 6.571 6.703 ( -2.453 -1.417 -1.300) 3.117 7.126 ( -4.538 -2.620 3.754) 6.446 7.214 ( -5.809 -3.354 4.239) 7.935 7.917 ( -8.194 -4.731 -3.128) 9.965 9.169 ( -0.452 -0.261 1.435) 1.527 10.113 ( 6.190 3.574 3.936) 8.160 11.795 ( 16.563 9.563 -11.775) 22.460 19.733 ( 2.007 1.159 -1.075) 2.555 19.864 ( -2.396 -1.383 0.378) 2.792 19.915 ( -1.167 -0.674 0.514) 1.442 19.986 ( -4.665 -2.694 0.119) 5.388 24.864 ( -0.077 -0.044 1.630) 1.632 25.297 ( 0.731 0.422 -0.169) 0.861 32.527 ( 2.797 1.615 0.067) 3.230 32.620 ( 1.642 0.948 -0.568) 1.980 41.683 ( 2.943 1.699 -3.784) 5.086 41.999 ( -8.940 -5.162 6.684) 12.298 42.875 ( 0.996 0.575 3.902) 4.067 46.280 ( 1.683 0.972 -23.845) 23.924 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -0.000 35.800 10.032) 37.179 0.984 ( 0.000 12.809 30.353) 32.945 1.571 ( -0.000 57.202 16.576) 59.555 2.364 ( -0.000 8.784 2.518) 9.138 2.548 ( -0.000 27.917 1.415) 27.953 3.643 ( 0.000 -1.015 0.389) 1.087 4.682 ( 0.000 -3.223 0.774) 3.315 4.724 ( 0.000 -35.167 21.100) 41.011 5.447 ( -0.000 -0.147 -9.721) 9.722 5.505 ( -0.000 1.123 -4.776) 4.906 5.746 ( 0.000 -5.519 4.317) 7.007 5.843 ( -0.000 4.306 2.108) 4.794 5.983 ( 0.000 0.823 0.936) 1.247 6.578 ( -0.000 4.807 -4.208) 6.388 6.688 ( -0.000 -0.473 -8.313) 8.327 7.128 ( 0.000 3.450 5.022) 6.093 7.167 ( -0.000 9.436 4.726) 10.554 7.659 ( -0.000 0.934 -4.552) 4.647 9.163 ( -0.000 1.251 -0.278) 1.282 9.857 ( -0.000 35.156 -17.931) 39.464 11.875 ( 0.000 -15.822 -5.663) 16.805 19.764 ( 0.000 -2.793 -0.742) 2.890 19.830 ( -0.000 0.408 -0.303) 0.508 19.885 ( -0.000 4.462 -0.258) 4.469 19.893 ( -0.000 1.957 0.441) 2.006 25.025 ( 0.000 -8.305 6.344) 10.451 25.304 ( 0.000 -0.782 -0.246) 0.820 32.586 ( 0.000 -2.726 0.512) 2.773 32.631 ( 0.000 -1.683 -0.833) 1.878 41.734 ( 0.000 -4.851 1.206) 4.998 41.935 ( -0.000 10.089 6.318) 11.904 42.886 ( -0.000 2.394 -1.768) 2.976 44.316 ( -0.000 89.283 -78.181) 118.674 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 4.067 9.356 30.752) 32.400 1.488 ( 17.686 33.737 9.256) 39.200 2.335 ( 21.292 30.707 7.323) 38.077 2.681 ( 22.838 27.576 1.831) 35.851 2.885 ( 6.909 26.286 3.632) 27.420 3.636 ( -1.470 4.251 1.010) 4.610 4.461 ( -9.938 -12.961 11.708) 20.096 4.634 ( -2.480 -3.661 0.962) 4.525 5.397 ( 0.069 -1.023 -8.123) 8.187 5.488 ( -0.531 3.150 -3.307) 4.598 5.762 ( 1.898 -5.352 -0.359) 5.690 5.887 ( 1.069 1.548 4.415) 4.799 6.015 ( 3.294 1.111 -0.200) 3.482 6.585 ( 1.278 2.639 -5.747) 6.452 6.676 ( 2.631 -2.904 -3.293) 5.118 7.200 ( 0.187 4.895 6.459) 8.107 7.260 ( -1.966 9.811 4.923) 11.152 7.698 ( 5.102 6.631 -8.865) 12.189 9.144 ( -2.685 1.960 -0.940) 3.455 10.073 ( 1.257 10.762 -4.212) 11.625 11.693 ( 2.112 -20.466 -9.695) 22.744 19.753 ( 1.926 -1.940 -0.932) 2.888 19.813 ( -2.038 1.628 -0.651) 2.689 19.921 ( -0.580 4.434 -0.219) 4.477 19.943 ( 3.141 1.651 0.419) 3.573 24.969 ( -2.284 -3.565 4.884) 6.464 25.290 ( -0.474 -0.823 -0.561) 1.103 32.546 ( -1.676 -2.882 0.236) 3.343 32.601 ( -0.945 -1.805 -1.325) 2.430 41.751 ( 7.012 -5.217 1.046) 8.802 42.023 ( -6.081 11.909 8.204) 15.688 42.804 ( -8.543 5.652 -4.541) 11.205 44.979 ( 34.425 36.478 -60.444) 78.544 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 6.023 7.857 28.464) 30.136 2.092 ( 13.042 31.178 7.436) 34.604 2.851 ( 20.203 15.744 3.953) 25.916 3.190 ( 6.496 7.737 2.304) 10.361 3.334 ( 15.104 10.142 4.428) 18.724 3.876 ( 20.605 29.319 -1.467) 35.865 4.304 ( -7.243 0.483 5.729) 9.248 4.548 ( -5.547 -1.274 0.429) 5.708 5.371 ( 2.996 -2.375 -3.654) 5.289 5.519 ( 1.063 5.243 -2.332) 5.836 5.677 ( -5.131 -4.184 -2.172) 6.968 5.941 ( -0.144 4.246 -0.302) 4.259 6.118 ( 12.033 -4.913 1.091) 13.043 6.618 ( 5.010 -1.043 -5.108) 7.230 6.710 ( 2.403 4.654 -0.996) 5.332 7.267 ( -2.308 5.804 6.656) 9.128 7.345 ( -0.112 7.005 4.131) 8.133 7.847 ( 9.589 8.546 -9.658) 16.070 9.120 ( -1.755 1.817 -1.098) 2.755 10.056 ( -7.430 -0.299 3.086) 8.051 11.449 ( -2.044 -22.347 -9.842) 24.504 19.757 ( -0.726 -0.209 0.022) 0.756 19.821 ( 2.643 1.815 -2.085) 3.825 19.944 ( -1.171 3.498 0.053) 3.690 20.019 ( 4.123 1.317 0.209) 4.333 24.937 ( -1.525 -1.375 3.382) 3.957 25.269 ( -0.662 -0.790 -0.811) 1.311 32.487 ( -2.434 -2.634 0.106) 3.588 32.559 ( -1.264 -1.797 -1.625) 2.732 41.858 ( 9.796 -3.917 2.503) 10.843 42.043 ( -7.447 8.912 6.235) 13.182 42.719 ( -7.411 8.546 -3.923) 11.973 45.424 ( 24.794 11.438 -40.221) 48.614 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 5.666 6.642 24.786) 26.278 2.542 ( 6.494 25.356 6.192) 26.897 3.213 ( 3.325 -0.944 -1.271) 3.682 3.405 ( 17.379 17.030 4.621) 24.767 3.483 ( 0.505 -0.993 4.925) 5.049 4.214 ( -3.441 0.772 2.935) 4.588 4.450 ( -4.561 3.517 0.167) 5.762 4.601 ( 22.843 23.955 -5.074) 33.487 5.422 ( 5.142 -1.869 2.145) 5.877 5.518 ( -7.422 -2.992 -3.709) 8.820 5.598 ( 2.886 6.008 -0.165) 6.667 5.958 ( -0.616 3.949 -3.542) 5.340 6.334 ( 19.398 -3.625 0.828) 19.752 6.657 ( 2.897 -1.962 -2.626) 4.375 6.835 ( 5.350 9.880 -1.139) 11.293 7.295 ( -2.569 2.823 4.606) 5.982 7.413 ( -1.592 5.910 3.774) 7.191 8.065 ( 12.714 9.265 -8.503) 17.883 9.112 ( -0.819 1.677 -0.453) 1.920 9.902 ( -10.486 -3.471 2.862) 11.411 11.123 ( -6.661 -23.099 -7.065) 25.057 19.738 ( -1.823 0.999 0.095) 2.081 19.896 ( 5.325 1.615 -2.145) 5.964 19.951 ( -1.445 2.514 0.226) 2.908 20.094 ( 3.746 0.658 0.084) 3.804 24.922 ( -0.996 -0.574 2.385) 2.648 25.248 ( -0.561 -0.612 -0.881) 1.210 32.426 ( -2.329 -2.055 0.158) 3.110 32.515 ( -1.094 -1.613 -1.543) 2.486 41.948 ( -6.910 8.241 3.621) 11.348 42.069 ( 10.043 -5.172 1.934) 11.461 42.683 ( -7.436 10.341 0.845) 12.764 45.653 ( 17.427 1.430 -26.806) 32.005 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 2.000 4.494 20.621) 21.200 2.842 ( 2.065 18.209 5.737) 19.203 3.212 ( 1.338 -1.714 -0.179) 2.182 3.414 ( -4.773 -5.754 0.211) 7.479 3.835 ( 7.387 19.598 1.084) 20.972 4.163 ( -2.961 -0.434 4.079) 5.059 4.482 ( 2.326 9.358 2.461) 9.952 4.969 ( 9.351 -0.586 -7.164) 11.794 5.333 ( -8.283 2.615 -3.446) 9.345 5.528 ( 2.332 2.595 4.713) 5.864 5.724 ( 5.917 4.892 0.411) 7.689 5.976 ( 3.617 -1.764 -2.878) 4.948 6.588 ( -0.221 4.011 -1.457) 4.273 6.708 ( 17.085 -2.545 0.396) 17.278 7.032 ( 8.601 8.093 -2.763) 12.129 7.282 ( -2.526 -0.289 2.576) 3.619 7.435 ( -4.508 5.943 2.746) 7.949 8.360 ( 17.180 11.001 -6.317) 21.356 9.118 ( -0.159 1.320 0.632) 1.472 9.688 ( -12.277 -5.620 0.871) 13.531 10.769 ( -6.936 -20.934 -4.853) 22.581 19.721 ( -1.561 1.339 -0.117) 2.060 19.944 ( -1.352 1.649 0.331) 2.158 19.995 ( 5.472 1.442 -1.531) 5.863 20.146 ( 2.273 -0.316 0.033) 2.295 24.914 ( -0.799 -0.306 1.650) 1.858 25.234 ( -0.213 -0.323 -0.728) 0.824 32.379 ( -1.588 -1.299 0.269) 2.069 32.482 ( -0.462 -1.262 -1.145) 1.765 41.879 ( -9.909 8.655 -2.284) 13.353 42.234 ( 12.242 -4.654 4.840) 13.963 42.668 ( -7.581 8.530 5.631) 12.726 45.782 ( 13.599 -3.015 -18.352) 23.040 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -5.899 0.635 16.320) 17.365 2.995 ( -2.765 9.896 5.320) 11.570 3.236 ( -0.120 0.179 0.196) 0.291 3.276 ( -1.488 -4.804 -2.332) 5.544 3.980 ( -7.541 19.651 -2.418) 21.186 4.187 ( 1.921 -2.561 7.456) 8.114 4.717 ( 10.790 11.533 2.922) 16.062 4.829 ( -10.133 -10.953 -6.989) 16.477 5.293 ( -2.748 7.128 -5.560) 9.449 5.596 ( -0.225 1.533 6.411) 6.596 5.853 ( 5.635 -0.528 1.606) 5.883 6.014 ( 4.894 -2.767 -0.336) 5.632 6.527 ( -4.536 0.920 -2.088) 5.078 6.961 ( 8.602 2.259 -1.061) 8.957 7.178 ( 4.588 1.382 -5.042) 6.955 7.245 ( -2.734 0.305 1.745) 3.258 7.420 ( -3.735 4.857 2.111) 6.481 8.747 ( 18.935 9.689 -3.499) 21.556 9.139 ( 0.643 1.519 1.763) 2.414 9.407 ( -13.779 -7.155 0.210) 15.528 10.511 ( -0.390 -14.806 -5.078) 15.658 19.710 ( -1.315 1.449 -0.427) 2.003 19.939 ( -1.208 1.547 0.528) 2.032 20.080 ( 4.424 0.141 -0.713) 4.483 20.159 ( 0.320 -1.227 -0.081) 1.270 24.905 ( -0.778 -0.259 1.057) 1.338 25.229 ( 0.232 -0.024 -0.441) 0.499 32.355 ( -0.513 -0.547 0.365) 0.834 32.468 ( 0.507 -0.768 -0.667) 1.137 41.789 ( -8.322 8.309 -5.847) 13.133 42.398 ( 7.375 -1.940 7.385) 10.616 42.650 ( -5.810 4.545 7.966) 10.857 45.872 ( 11.802 -4.623 -13.061) 18.201 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -15.622 -4.106 11.846) 20.030 2.989 ( -9.786 5.645 4.910) 12.319 3.170 ( -0.192 -2.186 -2.514) 3.337 3.324 ( 5.296 -0.652 0.614) 5.371 4.021 ( -11.689 17.297 0.002) 20.877 4.163 ( -1.401 -8.527 3.209) 9.218 4.523 ( -13.354 -1.421 -3.015) 13.764 5.004 ( 10.672 8.876 0.411) 13.887 5.279 ( -0.926 3.062 -6.458) 7.207 5.586 ( -6.232 -0.193 6.834) 9.251 5.888 ( 2.134 -7.031 2.243) 7.682 6.075 ( 3.266 -0.946 2.923) 4.484 6.492 ( 0.136 3.494 -3.958) 5.281 6.922 ( -7.592 -9.444 -3.066) 12.499 7.134 ( -5.043 -2.055 -6.088) 8.168 7.266 ( -0.863 5.657 3.683) 6.805 7.439 ( -1.047 3.856 1.597) 4.303 8.822 ( -11.902 -8.554 -0.856) 14.682 9.154 ( -0.235 -0.225 2.096) 2.121 9.413 ( 13.930 10.471 0.788) 17.444 10.454 ( 10.915 -7.977 -7.378) 15.402 19.702 ( -1.167 1.691 -0.708) 2.173 19.940 ( -0.785 1.669 0.566) 1.930 20.109 ( -0.503 -2.506 0.306) 2.574 20.151 ( 1.173 -1.049 -0.387) 1.620 24.894 ( -0.772 -0.268 0.655) 1.047 25.236 ( 0.623 0.196 -0.199) 0.683 32.356 ( 0.691 0.067 0.411) 0.806 32.478 ( 1.540 -0.194 -0.349) 1.591 41.716 ( -6.377 8.452 -7.409) 12.922 42.460 ( -2.066 -4.583 10.485) 11.628 42.679 ( 0.453 4.557 7.072) 8.426 45.957 ( 10.856 -4.317 -10.101) 15.444 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -21.082 -6.977 9.156) 24.020 2.842 ( -17.638 5.255 5.445) 19.193 3.179 ( 3.457 -0.676 -1.556) 3.851 3.400 ( 4.610 -3.368 1.603) 5.930 3.696 ( -23.511 -10.978 -4.123) 26.273 4.198 ( -2.650 9.401 2.327) 10.040 4.379 ( -7.434 5.815 -0.104) 9.439 5.178 ( 0.839 0.992 0.091) 1.302 5.292 ( 4.416 1.501 -4.549) 6.515 5.462 ( -11.754 2.141 5.344) 13.088 5.825 ( -2.613 -7.077 2.568) 7.969 6.120 ( 1.803 -1.582 3.109) 3.927 6.533 ( -2.592 4.546 -4.172) 6.692 6.594 ( -6.930 -20.328 -4.655) 21.976 6.964 ( -11.725 2.108 -4.277) 12.657 7.299 ( -1.745 1.968 3.305) 4.223 7.451 ( -3.530 3.225 3.358) 5.843 8.500 ( -14.399 -7.247 -1.347) 16.176 9.168 ( 0.405 -0.374 2.170) 2.239 9.717 ( 8.990 8.288 2.702) 12.522 10.661 ( 24.292 -0.839 -9.546) 26.114 19.699 ( -0.860 2.262 -0.864) 2.569 19.947 ( -0.719 1.559 0.408) 1.764 20.049 ( -3.116 -2.787 0.234) 4.187 20.148 ( 0.020 -2.677 0.192) 2.683 24.883 ( -0.692 -0.260 0.523) 0.906 25.250 ( 0.883 0.301 -0.118) 0.940 32.382 ( 1.894 0.494 0.372) 1.992 32.509 ( 2.291 0.301 -0.310) 2.331 41.673 ( -4.307 8.665 -7.444) 12.208 42.379 ( -5.249 -9.522 11.184) 15.598 42.781 ( 0.961 5.861 6.267) 8.634 46.045 ( 9.865 -2.637 -9.471) 13.928 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -22.244 -7.635 10.451) 25.736 2.561 ( -27.218 3.967 6.103) 28.174 3.142 ( -22.916 -11.683 -5.502) 26.304 3.232 ( 2.438 0.394 -0.855) 2.614 3.414 ( -3.160 -7.831 4.376) 9.511 4.120 ( -12.499 5.678 -2.779) 14.007 4.424 ( 2.031 7.980 0.110) 8.235 4.876 ( -31.704 -13.933 8.646) 35.694 5.348 ( 6.923 -1.774 -2.570) 7.595 5.484 ( 0.829 11.977 -0.487) 12.016 5.720 ( -4.069 -4.039 0.344) 5.743 6.105 ( -3.150 -5.040 0.104) 5.945 6.224 ( -5.613 -14.809 -2.275) 15.999 6.594 ( 1.459 3.411 -5.154) 6.350 6.803 ( -8.622 3.568 -1.693) 9.483 7.277 ( -3.681 -0.965 3.459) 5.142 7.409 ( -5.870 -0.105 4.819) 7.595 8.234 ( -11.353 -3.869 -2.780) 12.312 9.175 ( 0.021 -0.747 1.695) 1.852 9.902 ( 5.820 4.848 3.894) 8.517 11.066 ( 27.928 4.121 -10.119) 29.989 19.710 ( -0.331 2.909 -0.905) 3.065 19.938 ( -1.698 -0.995 -0.286) 1.989 19.980 ( -2.997 -0.032 0.676) 3.073 20.101 ( -2.010 -4.032 0.330) 4.517 24.873 ( -0.509 -0.219 0.767) 0.946 25.267 ( 0.996 0.294 -0.191) 1.056 32.428 ( 2.900 0.689 0.250) 2.991 32.550 ( 2.533 0.537 -0.546) 2.647 41.668 ( -2.348 8.786 -6.291) 11.058 42.239 ( -5.874 -12.075 10.477) 17.032 42.861 ( -0.264 4.154 4.643) 6.236 46.126 ( 7.902 -0.165 -12.555) 14.835 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -20.182 -6.168 17.118) 27.173 2.060 ( -38.481 -1.695 3.590) 38.686 2.702 ( -18.995 -7.678 -0.069) 20.488 3.153 ( -23.330 0.186 1.717) 23.394 3.235 ( -7.242 -5.146 -0.518) 8.899 3.896 ( -24.544 0.528 -2.417) 24.669 4.266 ( -16.162 -11.779 10.274) 22.483 4.538 ( 3.457 3.432 0.737) 4.927 5.449 ( 6.676 0.065 -2.462) 7.116 5.576 ( -0.974 2.609 1.378) 3.108 5.666 ( -0.409 6.662 -4.034) 7.799 5.940 ( -3.628 -10.977 -0.406) 11.568 6.095 ( -4.528 -1.504 -0.895) 4.854 6.629 ( 1.155 5.232 -3.833) 6.588 6.728 ( -3.076 0.000 -0.618) 3.138 7.202 ( -5.323 -2.549 3.976) 7.116 7.314 ( -6.785 -2.602 4.733) 8.673 8.019 ( -10.324 -1.707 -4.783) 11.506 9.171 ( -0.108 -1.285 0.762) 1.498 10.050 ( 6.507 0.853 4.159) 7.770 11.492 ( 23.620 7.348 -10.262) 26.780 19.733 ( 0.324 3.065 -0.859) 3.200 19.877 ( -2.329 -2.617 -0.511) 3.541 19.958 ( -2.412 2.052 0.665) 3.236 20.018 ( -3.341 -4.241 0.013) 5.399 24.872 ( -0.058 -0.136 1.761) 1.767 25.284 ( 0.961 0.191 -0.334) 1.036 32.486 ( 3.393 0.551 0.118) 3.439 32.591 ( 2.278 0.448 -0.940) 2.505 41.699 ( -0.843 8.601 -4.170) 9.596 42.075 ( -6.195 -11.827 8.774) 15.976 42.889 ( -0.531 -0.239 1.700) 1.796 46.144 ( 2.241 2.310 -24.452) 24.662 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.000 12.442 30.005) 32.482 1.680 ( -0.000 36.580 6.614) 37.173 2.610 ( -0.000 13.585 4.013) 14.165 2.674 ( -0.000 46.849 7.780) 47.491 3.105 ( -0.000 20.362 -0.776) 20.377 3.750 ( -0.000 15.216 4.170) 15.777 4.506 ( 0.000 -4.138 9.709) 10.555 4.599 ( 0.000 -6.397 0.631) 6.429 5.360 ( -0.000 1.967 -10.592) 10.773 5.472 ( 0.000 -2.952 -2.308) 3.747 5.662 ( 0.000 -6.935 2.979) 7.548 5.973 ( -0.000 0.254 -1.662) 1.681 5.997 ( -0.000 9.196 2.908) 9.644 6.538 ( -0.000 -6.117 -6.274) 8.763 6.625 ( -0.000 3.695 -3.470) 5.069 7.260 ( 0.000 5.225 4.400) 6.831 7.426 ( 0.000 10.281 8.304) 13.216 7.682 ( -0.000 8.724 -9.864) 13.168 9.188 ( -0.000 1.559 -0.225) 1.575 10.165 ( -0.000 11.121 -2.188) 11.334 11.387 ( 0.000 -26.779 -10.233) 28.667 19.710 ( 0.000 -2.280 -0.431) 2.320 19.848 ( -0.000 2.224 -1.059) 2.464 19.927 ( -0.000 1.347 0.312) 1.383 19.981 ( -0.000 5.756 -0.276) 5.762 24.974 ( 0.000 -3.391 4.139) 5.350 25.282 ( 0.000 -1.075 -0.636) 1.249 32.531 ( 0.000 -3.293 0.185) 3.298 32.583 ( 0.000 -2.366 -1.373) 2.735 41.637 ( 0.000 -6.223 0.762) 6.270 42.270 ( -0.000 16.161 11.599) 19.893 42.913 ( -0.000 1.995 -1.322) 2.394 44.768 ( -0.000 38.317 -57.507) 69.104 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.128 12.897 26.421) 29.401 2.199 ( 16.021 33.439 6.499) 37.644 2.819 ( 7.563 18.134 6.905) 20.826 3.200 ( 3.290 4.653 -0.019) 5.699 3.253 ( 11.170 26.971 3.354) 29.384 3.927 ( 2.686 13.391 3.499) 14.099 4.493 ( -4.401 6.791 2.242) 8.397 4.612 ( -1.770 8.907 4.080) 9.955 5.302 ( -0.665 -1.889 -6.045) 6.368 5.493 ( 5.809 1.731 -4.855) 7.767 5.638 ( 2.493 -7.310 0.188) 7.726 5.943 ( -1.726 0.207 0.474) 1.801 6.086 ( -2.559 8.417 1.271) 8.889 6.489 ( 4.327 -3.984 -5.428) 8.004 6.680 ( 4.609 3.664 -2.284) 6.316 7.338 ( 1.065 4.138 4.321) 6.077 7.514 ( -4.550 9.169 7.418) 12.641 7.768 ( 5.125 10.939 -10.375) 15.924 9.176 ( -2.641 2.093 -0.404) 3.394 10.190 ( -5.540 1.647 3.805) 6.920 11.117 ( 4.357 -28.444 -12.127) 31.227 19.712 ( 2.676 -1.622 -0.435) 3.160 19.847 ( -1.862 2.975 -1.320) 3.749 19.970 ( 3.069 1.154 0.102) 3.281 20.016 ( -1.830 5.184 -0.013) 5.497 24.958 ( -0.930 -1.880 3.277) 3.890 25.265 ( -0.352 -1.066 -0.825) 1.393 32.491 ( -1.292 -3.024 0.160) 3.292 32.547 ( -0.671 -2.396 -1.569) 2.941 41.650 ( 8.029 -6.303 1.017) 10.258 42.383 ( -11.751 15.720 10.669) 22.339 42.890 ( -4.046 6.354 -0.471) 7.547 44.979 ( 18.846 19.002 -44.961) 52.324 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 1.737 11.505 22.273) 25.129 2.748 ( 8.641 29.320 7.178) 31.398 3.185 ( 3.073 7.557 -0.015) 8.158 3.269 ( 16.001 9.650 7.593) 20.170 3.512 ( -0.862 2.422 4.446) 5.136 4.173 ( 11.850 8.494 1.434) 14.650 4.539 ( 2.122 2.677 -0.464) 3.447 4.676 ( -7.879 22.444 -3.949) 24.112 5.324 ( 5.521 -0.419 1.598) 5.763 5.540 ( -2.083 -0.231 -4.525) 4.987 5.643 ( 2.194 7.720 -3.435) 8.730 5.989 ( 13.454 -7.004 1.276) 15.221 6.079 ( -7.139 7.429 0.688) 10.326 6.551 ( 7.022 0.124 -3.140) 7.693 6.817 ( 6.838 6.528 -1.108) 9.519 7.380 ( -2.094 0.617 4.373) 4.887 7.546 ( -4.143 8.372 4.035) 10.176 7.940 ( 9.023 11.658 -9.302) 17.432 9.155 ( -2.146 2.348 0.048) 3.182 10.066 ( -10.739 -2.954 4.524) 12.022 10.854 ( 2.585 -29.838 -10.056) 31.593 19.747 ( 2.385 -0.690 -0.176) 2.489 19.851 ( 0.297 3.340 -1.790) 3.801 20.016 ( -1.929 3.613 -0.199) 4.100 20.040 ( 2.946 0.943 0.507) 3.134 24.944 ( -0.983 -0.871 2.502) 2.826 25.245 ( -0.416 -0.854 -0.927) 1.328 32.440 ( -1.864 -2.379 0.256) 3.033 32.505 ( -0.821 -2.158 -1.584) 2.800 41.777 ( 13.554 -6.086 1.995) 14.991 42.313 ( -16.228 13.998 2.797) 21.613 42.916 ( -5.530 10.681 6.071) 13.473 45.216 ( 19.768 3.933 -32.317) 38.087 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 1.298 8.962 18.580) 20.669 3.046 ( -0.423 13.155 5.641) 14.320 3.228 ( -1.519 9.810 2.252) 10.179 3.447 ( -4.576 -4.771 1.005) 6.687 3.768 ( 19.549 12.451 8.716) 24.762 4.327 ( -4.462 10.793 -0.334) 11.684 4.575 ( -1.124 8.563 1.103) 8.706 4.802 ( 7.636 4.499 -7.291) 11.477 5.313 ( 0.099 -9.446 -3.664) 10.133 5.598 ( 3.595 12.378 -0.621) 12.904 5.716 ( 0.248 5.555 -0.026) 5.560 6.003 ( -7.647 5.536 -1.116) 9.507 6.300 ( 25.758 -2.249 1.546) 25.902 6.635 ( 1.446 2.506 0.401) 2.921 6.984 ( 6.260 6.584 -1.624) 9.229 7.333 ( -3.654 -1.532 1.792) 4.348 7.581 ( -3.287 7.784 1.980) 8.679 8.190 ( 13.066 12.753 -7.209) 19.630 9.150 ( -1.364 1.737 1.028) 2.436 9.852 ( -13.214 -4.656 1.806) 14.126 10.555 ( 0.241 -29.396 -6.403) 30.086 19.759 ( -0.784 1.064 -0.107) 1.326 19.909 ( 4.329 2.045 -1.691) 5.077 20.007 ( -2.622 2.871 0.341) 3.903 20.097 ( 3.157 -0.410 0.139) 3.186 24.933 ( -0.932 -0.426 1.815) 2.084 25.229 ( -0.194 -0.514 -0.824) 0.991 32.394 ( -1.696 -1.550 0.378) 2.329 32.469 ( -0.462 -1.846 -1.302) 2.306 41.966 ( 13.877 -6.042 2.074) 15.277 42.200 ( -13.542 16.040 -1.746) 21.064 42.934 ( -9.186 9.052 10.711) 16.764 45.381 ( 17.865 -4.402 -22.781) 29.283 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -3.181 5.244 15.668) 16.825 3.103 ( -0.366 0.051 3.742) 3.761 3.265 ( -3.261 -2.008 -1.427) 4.086 3.363 ( -7.360 11.047 3.243) 13.665 4.123 ( 7.898 5.197 8.288) 12.573 4.336 ( -8.808 19.494 -3.325) 21.649 4.695 ( 4.257 7.604 -0.136) 8.715 4.815 ( -1.393 -3.393 -2.853) 4.647 5.263 ( 5.501 -7.431 -3.404) 9.852 5.742 ( -2.922 14.486 -0.251) 14.780 5.755 ( 2.617 -2.624 -1.339) 3.940 5.968 ( -1.341 5.485 1.826) 5.935 6.578 ( 1.215 -4.355 1.443) 4.746 6.750 ( 16.616 4.818 0.064) 17.301 7.084 ( 3.336 -1.714 -3.544) 5.160 7.303 ( -1.143 4.427 0.881) 4.656 7.584 ( -6.084 7.263 0.732) 9.503 8.528 ( 17.282 12.293 -4.666) 21.715 9.155 ( -0.131 1.023 2.045) 2.291 9.570 ( -14.821 -7.783 -0.235) 16.742 10.291 ( 2.019 -23.741 -4.691) 24.284 19.751 ( -1.628 1.903 -0.341) 2.527 19.979 ( 0.536 1.640 -0.253) 1.743 20.007 ( 2.244 1.166 -0.164) 2.534 20.129 ( 1.731 -1.394 -0.064) 2.223 24.922 ( -0.938 -0.300 1.213) 1.562 25.223 ( 0.183 -0.169 -0.564) 0.616 32.363 ( -1.022 -0.759 0.455) 1.352 32.446 ( 0.355 -1.464 -0.881) 1.746 42.002 ( -6.994 6.753 -6.363) 11.619 42.279 ( 7.538 5.900 5.112) 10.852 42.887 ( -11.133 4.661 12.231) 17.183 45.505 ( 16.628 -7.835 -16.126) 24.452 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -12.704 -0.132 13.035) 18.202 3.081 ( -0.087 -4.273 0.174) 4.277 3.198 ( -0.964 0.479 -0.480) 1.179 3.373 ( -7.005 9.837 3.277) 12.513 4.168 ( -6.821 -5.413 3.379) 9.341 4.383 ( -7.796 21.963 -1.700) 23.368 4.646 ( -4.792 -1.208 -2.083) 5.363 4.957 ( 7.662 10.482 3.534) 13.457 5.242 ( 1.126 -6.733 -4.092) 7.959 5.724 ( 2.246 -4.098 -4.474) 6.469 5.808 ( -5.559 10.458 2.746) 12.158 6.040 ( 2.246 1.095 4.804) 5.415 6.522 ( -2.560 -0.441 0.195) 2.605 6.907 ( -1.996 -8.355 -3.133) 9.144 7.080 ( 6.049 -3.227 -4.201) 8.041 7.380 ( -1.121 9.489 4.048) 10.377 7.541 ( -5.770 6.867 -1.036) 9.029 8.824 ( 6.028 1.118 -2.275) 6.539 9.182 ( -2.051 -1.632 2.408) 3.559 9.343 ( 1.881 3.593 -0.317) 4.068 10.150 ( 7.456 -17.321 -5.559) 19.660 19.742 ( -1.614 2.304 -0.533) 2.863 19.980 ( -1.402 2.187 0.508) 2.647 20.062 ( 3.126 -1.496 0.012) 3.466 20.127 ( 0.264 -1.834 -0.408) 1.897 24.909 ( -0.931 -0.293 0.786) 1.253 25.226 ( 0.549 0.072 -0.320) 0.639 32.352 ( -0.062 -0.232 0.458) 0.517 32.446 ( 1.417 -0.904 -0.552) 1.770 41.912 ( -9.380 11.601 -8.682) 17.261 42.458 ( 4.678 -0.899 9.258) 10.411 42.807 ( -7.572 2.474 9.759) 12.597 45.626 ( 15.797 -7.312 -11.940) 21.109 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -20.638 -4.577 9.938) 23.359 3.082 ( 3.144 -0.926 0.088) 3.279 3.187 ( -5.918 3.801 3.796) 7.993 3.357 ( -3.648 4.999 0.788) 6.239 3.868 ( -17.025 -14.296 -2.002) 22.321 4.463 ( -6.328 19.499 0.094) 20.501 4.567 ( -10.147 5.337 3.206) 11.905 5.162 ( 3.339 -6.802 -2.446) 7.963 5.165 ( 4.314 4.869 -1.617) 6.703 5.731 ( 2.615 0.064 -0.714) 2.711 5.775 ( -9.767 7.088 2.547) 12.334 6.085 ( 1.961 -2.349 2.777) 4.132 6.489 ( -3.331 -6.621 -1.045) 7.485 6.639 ( -9.559 -10.497 -3.164) 14.546 7.084 ( -3.154 0.970 -3.162) 4.570 7.393 ( -5.410 3.269 2.268) 6.716 7.558 ( -2.445 6.655 1.363) 7.220 8.661 ( -13.802 -6.202 -1.743) 15.232 9.157 ( 1.046 -1.140 1.305) 2.024 9.653 ( 13.524 13.029 2.705) 18.973 10.185 ( 20.244 -11.891 -7.800) 24.740 19.739 ( -1.297 2.670 -0.577) 3.024 19.982 ( -1.228 1.947 0.194) 2.310 20.061 ( -0.890 -2.430 0.523) 2.641 20.113 ( 0.642 -2.460 -0.440) 2.580 24.895 ( -0.833 -0.294 0.631) 1.086 25.237 ( 0.812 0.172 -0.228) 0.861 32.361 ( 1.087 -0.005 0.382) 1.152 32.469 ( 2.315 -0.264 -0.465) 2.375 41.842 ( -8.109 12.835 -8.735) 17.515 42.436 ( -6.148 -10.508 13.169) 17.935 42.836 ( 1.366 4.487 4.561) 6.542 45.765 ( 14.375 -3.758 -10.181) 18.012 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -22.589 -5.634 10.211) 25.422 3.063 ( -20.120 8.264 6.027) 22.571 3.146 ( 4.162 -0.933 -1.124) 4.411 3.372 ( 1.418 -1.053 2.136) 2.771 3.403 ( -21.728 -11.327 -1.374) 24.542 4.406 ( -15.531 4.058 0.004) 16.052 4.521 ( -4.037 9.745 0.689) 10.571 5.123 ( -1.488 -9.703 -1.961) 10.010 5.222 ( -0.151 2.160 0.293) 2.185 5.683 ( -8.100 4.932 -0.093) 9.484 5.783 ( -5.266 11.385 3.048) 12.909 6.060 ( -2.858 -11.832 -4.367) 12.932 6.160 ( -5.194 -14.076 1.003) 15.037 6.598 ( 0.490 3.662 -1.239) 3.897 6.982 ( -9.252 2.428 -1.826) 9.739 7.339 ( -3.766 -0.477 1.166) 3.971 7.534 ( -6.356 0.890 3.238) 7.188 8.388 ( -13.044 -2.098 -3.036) 13.556 9.168 ( 0.591 -1.073 0.766) 1.445 9.874 ( 4.574 3.190 2.671) 6.183 10.554 ( 32.773 1.389 -6.606) 33.460 19.744 ( -0.808 2.578 -0.450) 2.739 19.961 ( -2.408 -0.503 -0.871) 2.610 20.029 ( -1.830 1.019 0.967) 2.307 20.083 ( -0.671 -3.801 -0.178) 3.864 24.884 ( -0.616 -0.269 0.808) 1.051 25.252 ( 0.963 0.147 -0.300) 1.019 32.390 ( 2.264 0.027 0.248) 2.278 32.507 ( 2.725 0.148 -0.657) 2.807 41.809 ( -6.090 12.964 -7.276) 16.065 42.265 ( -6.818 -14.554 11.989) 20.051 42.905 ( 0.756 1.068 2.150) 2.517 45.912 ( 11.360 1.253 -11.513) 16.223 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -20.577 -3.811 15.224) 25.879 2.640 ( -32.849 -7.022 0.767) 33.599 3.025 ( -20.886 7.517 4.977) 22.748 3.230 ( 2.151 -0.235 -0.837) 2.320 3.364 ( -4.231 -1.256 4.429) 6.252 4.208 ( -11.091 4.755 -2.536) 12.331 4.528 ( -1.019 0.762 0.481) 1.361 4.686 ( -36.549 -10.613 2.721) 38.156 5.323 ( 7.249 2.265 -1.374) 7.718 5.625 ( -3.226 0.971 -1.134) 3.555 5.720 ( -3.194 -4.377 -1.534) 5.631 5.944 ( -3.239 6.732 1.013) 7.539 6.103 ( -0.016 -2.270 -1.449) 2.693 6.642 ( 1.496 4.042 -2.131) 4.808 6.836 ( -9.579 0.876 -0.056) 9.619 7.272 ( -3.997 -2.439 2.192) 5.170 7.422 ( -7.395 -3.077 3.281) 8.656 8.168 ( -11.633 0.940 -4.947) 12.676 9.161 ( -0.147 -1.480 -0.204) 1.501 9.960 ( 5.435 -3.089 2.266) 6.649 11.089 ( 29.948 7.601 -4.926) 31.288 19.753 ( -0.194 1.051 -0.120) 1.075 19.903 ( -3.237 -0.069 -1.434) 3.541 20.010 ( -1.955 -2.462 0.595) 3.199 20.034 ( -2.296 1.288 -0.126) 2.635 24.880 ( -0.198 -0.236 1.439) 1.471 25.267 ( 1.011 0.027 -0.458) 1.110 32.434 ( 3.165 -0.171 0.111) 3.171 32.549 ( 2.618 0.152 -1.044) 2.823 41.815 ( -4.132 11.444 -4.123) 12.846 42.086 ( -5.002 -13.521 9.021) 17.007 42.888 ( -1.294 -4.360 -0.963) 4.649 46.018 ( 5.334 5.757 -17.913) 19.557 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 14.620 24.935) 28.905 2.382 ( -0.000 32.777 4.003) 33.021 2.917 ( -0.000 13.935 5.276) 14.900 3.195 ( -0.000 -0.328 -0.900) 0.958 3.506 ( -0.000 32.184 5.625) 32.672 3.999 ( 0.000 3.401 4.221) 5.420 4.468 ( 0.000 -7.642 0.362) 7.651 4.928 ( -0.000 35.146 6.503) 35.743 5.305 ( -0.000 0.495 -8.729) 8.743 5.319 ( 0.000 -8.799 -4.446) 9.859 5.581 ( 0.000 -2.059 1.241) 2.404 6.002 ( -0.000 5.093 -3.121) 5.973 6.224 ( -0.000 11.594 3.277) 12.048 6.381 ( -0.000 -4.266 -4.037) 5.873 6.638 ( -0.000 0.686 -2.439) 2.534 7.383 ( -0.000 3.869 2.594) 4.659 7.662 ( 0.000 5.965 7.639) 9.692 7.791 ( -0.000 13.076 -10.010) 16.467 9.215 ( -0.000 1.666 -0.391) 1.711 10.264 ( 0.000 -3.102 7.302) 7.933 10.748 ( 0.000 -27.224 -14.291) 30.747 19.674 ( 0.000 -1.389 0.004) 1.389 19.892 ( -0.000 3.801 -1.568) 4.112 19.949 ( -0.000 0.716 0.273) 0.766 20.080 ( -0.000 4.958 -0.383) 4.973 24.964 ( 0.000 -1.545 2.807) 3.204 25.253 ( 0.000 -1.144 -0.890) 1.449 32.475 ( 0.000 -2.834 0.247) 2.844 32.521 ( 0.000 -2.521 -1.601) 2.987 41.529 ( 0.000 -5.992 0.845) 6.051 42.730 ( 0.000 17.977 16.022) 24.081 42.931 ( -0.000 1.218 -1.306) 1.786 44.800 ( -0.000 19.327 -42.636) 46.813 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -2.763 14.650 20.083) 25.012 2.820 ( 14.112 26.902 3.382) 30.566 3.182 ( 8.303 6.356 5.801) 11.958 3.196 ( 6.147 6.875 1.306) 9.315 3.650 ( -8.464 3.795 3.024) 9.757 4.155 ( 5.745 18.018 5.985) 19.837 4.459 ( 5.925 -4.018 0.117) 7.160 4.995 ( -13.753 7.836 -8.178) 17.817 5.278 ( 1.948 0.108 2.149) 2.903 5.506 ( 17.530 8.568 -1.213) 19.550 5.575 ( -1.999 4.716 -2.351) 5.636 5.958 ( -8.376 4.767 -4.003) 10.436 6.274 ( -5.587 7.803 2.326) 9.874 6.435 ( 7.265 4.023 -0.202) 8.307 6.715 ( 8.962 1.635 -1.803) 9.287 7.421 ( -0.460 1.120 1.969) 2.312 7.698 ( -3.894 3.011 5.123) 7.104 7.912 ( 4.369 15.168 -8.904) 18.123 9.211 ( -1.896 1.915 -0.190) 2.701 10.196 ( -5.617 -8.493 8.558) 13.301 10.470 ( 2.608 -25.351 -13.266) 28.731 19.687 ( 2.754 -0.951 0.057) 2.914 19.899 ( -1.871 3.996 -1.326) 4.608 19.987 ( 2.873 0.806 -0.115) 2.986 20.101 ( -2.159 3.806 -0.182) 4.379 24.960 ( -0.538 -0.935 2.245) 2.490 25.237 ( -0.192 -0.965 -0.923) 1.349 32.443 ( -1.011 -2.283 0.400) 2.529 32.487 ( -0.461 -2.234 -1.597) 2.784 41.549 ( 8.253 -5.530 1.311) 10.021 42.723 ( -16.140 11.333 2.255) 19.850 43.073 ( 2.931 8.986 11.430) 14.832 44.859 ( 11.005 9.942 -33.763) 36.877 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -2.083 12.685 15.022) 19.772 3.104 ( 0.810 2.761 0.792) 2.985 3.386 ( 11.227 16.139 4.013) 20.065 3.475 ( -9.411 -6.321 0.794) 11.364 3.618 ( 17.785 13.444 10.661) 24.713 4.433 ( 3.904 14.884 2.528) 15.593 4.562 ( 7.818 0.599 -0.769) 7.878 4.832 ( -6.768 6.085 -6.452) 11.156 5.222 ( -2.761 -9.877 -4.292) 11.117 5.633 ( 2.864 10.007 -2.149) 10.629 5.833 ( -6.663 0.708 -3.188) 7.420 5.889 ( 19.659 6.745 1.506) 20.839 6.260 ( -9.014 12.348 2.301) 15.460 6.617 ( 6.466 6.695 2.615) 9.667 6.886 ( 10.017 1.195 -1.673) 10.225 7.385 ( -3.780 -1.770 0.626) 4.221 7.687 ( -1.938 3.236 1.426) 4.033 8.123 ( 7.817 16.873 -6.690) 19.762 9.197 ( -1.911 1.486 0.744) 2.532 10.030 ( -11.522 -5.248 4.284) 13.366 10.201 ( 2.956 -30.035 -7.544) 31.109 19.733 ( 3.416 -0.710 0.076) 3.490 19.908 ( -0.765 4.317 -1.260) 4.561 20.039 ( 2.771 0.289 -0.337) 2.806 20.087 ( -2.859 2.317 0.299) 3.692 24.951 ( -0.782 -0.535 1.640) 1.894 25.223 ( -0.123 -0.611 -0.803) 1.016 32.408 ( -1.423 -1.473 0.529) 2.115 32.452 ( -0.536 -1.915 -1.379) 2.420 41.691 ( 13.844 -5.008 2.130) 14.876 42.579 ( -15.205 14.704 -4.013) 21.530 43.195 ( -5.307 6.917 14.858) 17.227 44.974 ( 14.145 0.368 -24.046) 27.900 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -2.752 9.108 11.496) 14.922 3.110 ( -0.930 -2.343 2.747) 3.728 3.286 ( -4.868 -6.117 -2.950) 8.355 3.601 ( -3.608 10.005 5.040) 11.769 4.064 ( 14.691 11.740 11.255) 21.916 4.567 ( -1.560 15.216 -4.477) 15.938 4.682 ( 4.016 1.536 -2.827) 5.146 4.841 ( -0.610 5.683 1.179) 5.836 5.048 ( 1.912 -11.692 -6.475) 13.501 5.736 ( -3.088 0.083 -3.271) 4.499 5.798 ( 5.594 6.843 0.635) 8.862 6.226 ( -4.093 10.624 1.883) 11.540 6.287 ( 15.356 6.629 0.759) 16.742 6.728 ( -0.558 2.001 4.095) 4.592 6.981 ( 4.130 -5.371 -3.208) 7.497 7.361 ( 0.895 6.206 -0.139) 6.272 7.703 ( -1.359 3.841 -0.321) 4.087 8.404 ( 11.071 15.991 -4.546) 19.973 9.184 ( -1.448 0.322 1.927) 2.432 9.729 ( -15.344 -12.012 -1.346) 19.533 9.996 ( 3.889 -21.575 -1.885) 22.003 19.770 ( 1.242 0.123 -0.016) 1.248 19.947 ( 1.654 3.359 -0.992) 3.873 20.053 ( -2.442 1.686 0.310) 2.983 20.083 ( 2.047 -1.104 -0.055) 2.326 24.940 ( -0.917 -0.390 1.049) 1.447 25.215 ( 0.133 -0.231 -0.540) 0.602 32.378 ( -1.320 -0.591 0.579) 1.558 32.424 ( -0.045 -1.681 -1.015) 1.964 41.892 ( 13.668 -3.841 1.838) 14.316 42.485 ( -11.722 17.601 -5.813) 21.931 43.172 ( -11.099 1.851 14.565) 18.405 45.093 ( 15.516 -4.781 -15.879) 22.710 ======================= Grid point 205 (78/189) ======================= q-point: ( 0.67 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -8.134 3.122 10.054) 13.304 3.034 ( -1.502 -6.955 -1.653) 7.305 3.215 ( -0.994 1.007 -0.924) 1.689 3.581 ( -6.621 3.830 3.894) 8.583 4.328 ( -6.076 8.345 8.656) 13.472 4.566 ( -4.253 0.008 -5.913) 7.284 4.692 ( 1.530 10.300 -1.684) 10.548 4.960 ( 6.490 7.308 1.570) 9.899 5.060 ( 8.958 -7.627 -2.948) 12.129 5.654 ( -3.717 -2.327 -3.297) 5.487 5.933 ( 3.473 3.925 0.827) 5.306 6.222 ( -11.224 16.112 3.559) 19.956 6.526 ( 3.713 -1.826 1.273) 4.329 6.772 ( 8.734 -4.500 -1.013) 9.877 6.922 ( 1.793 -7.139 -3.507) 8.154 7.495 ( 1.798 11.523 2.918) 12.022 7.685 ( -4.763 3.417 -1.787) 6.128 8.704 ( 11.355 10.100 -2.850) 15.462 9.188 ( 0.479 -1.135 3.320) 3.541 9.391 ( -9.026 -8.784 -2.532) 12.846 9.879 ( 3.582 -14.813 -2.121) 15.386 19.779 ( -0.578 1.229 -0.254) 1.382 20.002 ( 2.293 1.490 -0.335) 2.755 20.032 ( -1.640 0.814 0.573) 1.918 20.097 ( 1.216 -1.607 -0.363) 2.048 24.925 ( -0.962 -0.371 0.612) 1.199 25.217 ( 0.423 0.035 -0.292) 0.515 32.360 ( -0.882 -0.161 0.481) 1.018 32.414 ( 0.973 -1.110 -0.622) 1.602 42.028 ( 3.575 2.270 -2.913) 5.140 42.487 ( -3.293 11.342 -0.143) 11.811 43.030 ( -12.585 -3.061 11.190) 17.116 45.244 ( 16.559 -4.357 -10.084) 19.871 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -17.081 -4.350 7.101) 19.003 3.000 ( 3.556 -1.490 -2.505) 4.598 3.218 ( 0.041 0.275 2.129) 2.147 3.536 ( -4.947 2.646 2.554) 6.165 4.081 ( -21.010 -3.056 0.120) 21.232 4.590 ( -0.059 2.309 2.669) 3.530 4.819 ( 0.083 13.649 0.338) 13.653 5.048 ( -2.055 -7.818 -3.335) 8.744 5.135 ( 6.494 3.937 -1.921) 7.833 5.599 ( 2.953 -1.682 0.908) 3.518 5.989 ( 0.967 1.990 -2.984) 3.715 6.170 ( -12.163 9.112 5.138) 16.043 6.529 ( -3.344 0.892 1.645) 3.832 6.631 ( -6.379 -13.371 -3.097) 15.135 7.035 ( 8.645 0.574 -2.070) 8.908 7.536 ( -7.414 1.186 1.009) 7.576 7.662 ( -1.871 6.564 0.392) 6.837 8.791 ( -6.797 -0.793 -1.535) 7.013 9.132 ( -0.177 -3.109 0.676) 3.187 9.507 ( 19.800 10.052 -0.028) 22.205 9.817 ( 5.348 -11.511 -2.658) 12.968 19.777 ( -1.014 1.549 -0.280) 1.872 20.017 ( -1.264 0.560 0.174) 1.394 20.039 ( 1.415 -0.477 0.281) 1.519 20.091 ( -0.010 -1.146 -0.447) 1.231 24.909 ( -0.883 -0.368 0.444) 1.055 25.226 ( 0.644 0.138 -0.198) 0.688 32.352 ( 0.025 -0.206 0.311) 0.373 32.429 ( 1.933 -0.254 -0.409) 1.992 42.037 ( -5.207 9.960 -7.468) 13.494 42.506 ( -5.071 -4.939 10.473) 12.641 42.880 ( -4.094 -2.838 2.883) 5.755 45.451 ( 16.324 0.463 -7.138) 17.823 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -20.256 -5.838 6.651) 22.105 3.058 ( 4.363 -0.450 -1.334) 4.584 3.235 ( 0.171 -1.708 3.324) 3.741 3.459 ( -7.487 -2.863 1.347) 8.128 3.723 ( -21.654 4.259 2.932) 22.263 4.571 ( -5.114 -0.803 2.359) 5.688 4.771 ( -16.495 -4.064 -2.301) 17.144 4.982 ( 5.980 4.024 -2.852) 7.752 5.225 ( 4.598 -0.326 -1.692) 4.910 5.694 ( 3.571 1.289 2.214) 4.395 5.962 ( -3.021 -3.914 -5.339) 7.276 6.099 ( -3.364 -2.145 3.788) 5.501 6.250 ( -19.698 4.570 0.617) 20.230 6.606 ( 1.118 1.193 1.151) 1.999 7.092 ( -1.959 1.997 -1.264) 3.070 7.407 ( -6.186 -1.984 -1.528) 6.673 7.644 ( -5.174 -0.787 2.085) 5.633 8.588 ( -14.023 0.910 -2.321) 14.242 9.142 ( 1.606 -0.966 0.139) 1.880 9.806 ( 5.603 -7.756 -1.564) 9.695 10.040 ( 30.989 11.449 0.065) 33.036 19.771 ( -0.861 0.544 -0.034) 1.019 19.994 ( -1.932 0.430 -0.754) 2.118 20.042 ( 0.005 -2.189 0.197) 2.198 20.081 ( -0.748 1.306 0.089) 1.507 24.895 ( -0.674 -0.340 0.583) 0.954 25.237 ( 0.785 0.105 -0.278) 0.839 32.361 ( 1.210 -0.276 0.174) 1.253 32.463 ( 2.468 0.248 -0.516) 2.533 42.007 ( -6.615 12.934 -7.670) 16.427 42.320 ( -10.382 -15.216 12.337) 22.170 42.866 ( 2.726 -3.988 -0.788) 4.894 45.695 ( 13.724 6.303 -7.351) 16.796 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -18.941 -3.425 11.203) 22.271 2.950 ( -17.646 -11.306 -0.445) 20.962 3.190 ( 0.967 -0.611 1.179) 1.642 3.376 ( 1.003 0.296 2.480) 2.692 3.534 ( -19.982 14.630 6.863) 25.698 4.374 ( -12.578 -7.699 -2.124) 14.900 4.529 ( -3.743 -8.183 1.352) 9.100 5.030 ( -8.074 4.808 -6.796) 11.597 5.293 ( 2.605 3.601 3.513) 5.665 5.671 ( -7.346 -10.978 -3.917) 13.778 5.705 ( -5.915 -3.575 0.908) 6.971 6.054 ( 1.433 -2.901 -2.466) 4.068 6.228 ( -9.962 24.930 3.439) 27.066 6.632 ( 1.623 0.194 0.553) 1.726 7.010 ( -9.410 1.463 0.019) 9.523 7.306 ( -2.976 -2.829 -0.409) 4.126 7.518 ( -7.223 -5.020 1.757) 8.970 8.370 ( -13.750 3.834 -4.146) 14.864 9.146 ( 0.202 -1.237 -0.591) 1.386 9.828 ( 6.254 -7.289 -0.337) 9.610 10.655 ( 31.236 10.281 -0.038) 32.884 19.756 ( -0.594 -1.492 0.311) 1.636 19.960 ( -2.956 2.121 -1.331) 3.874 20.003 ( -1.324 -3.093 -0.293) 3.377 20.090 ( -1.175 3.161 0.288) 3.385 24.888 ( -0.321 -0.296 1.039) 1.127 25.249 ( 0.863 -0.023 -0.464) 0.980 32.387 ( 2.298 -0.445 0.073) 2.342 32.503 ( 2.513 0.217 -0.875) 2.670 41.994 ( -7.048 10.937 -3.340) 13.433 42.082 ( -5.469 -13.629 7.361) 16.427 42.832 ( 0.290 -8.095 -1.934) 8.328 45.910 ( 8.191 9.730 -11.225) 16.964 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 0.000 15.368 17.876) 23.574 2.943 ( -0.000 23.210 1.850) 23.284 3.158 ( 0.000 -1.697 -0.556) 1.786 3.215 ( -0.000 13.416 4.044) 14.012 3.724 ( 0.000 -7.408 -0.557) 7.429 4.346 ( 0.000 -6.156 2.126) 6.512 4.382 ( -0.000 26.496 10.308) 28.430 5.109 ( -0.000 -4.252 -8.160) 9.202 5.165 ( 0.000 -8.042 -4.594) 9.262 5.487 ( -0.000 12.142 1.288) 12.210 5.656 ( -0.000 9.935 -2.030) 10.140 6.125 ( -0.000 12.465 -4.931) 13.405 6.367 ( -0.000 6.399 2.037) 6.716 6.452 ( -0.000 6.237 3.831) 7.320 6.621 ( -0.000 2.100 -1.908) 2.837 7.438 ( 0.000 0.096 0.730) 0.736 7.742 ( 0.000 -4.620 3.460) 5.772 8.005 ( -0.000 20.355 -6.938) 21.505 9.241 ( -0.000 1.634 -0.664) 1.764 10.057 ( 0.000 -26.548 0.187) 26.548 10.305 ( 0.000 -6.508 -2.564) 6.995 19.658 ( 0.000 -0.558 0.327) 0.646 19.959 ( -0.000 5.010 -1.483) 5.224 19.960 ( 0.000 0.170 0.173) 0.243 20.148 ( -0.000 2.577 -0.396) 2.607 24.966 ( 0.000 -0.759 1.773) 1.929 25.226 ( -0.000 -0.848 -0.848) 1.200 32.434 ( 0.000 -2.025 0.536) 2.095 32.465 ( -0.000 -1.757 -1.531) 2.331 41.439 ( 0.000 -4.666 1.298) 4.844 42.933 ( -0.000 0.643 -1.645) 1.766 43.192 ( 0.000 14.201 14.183) 20.070 44.731 ( -0.000 11.338 -27.718) 29.947 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -5.462 14.258 12.035) 19.441 3.120 ( -0.108 1.964 0.290) 1.989 3.267 ( 12.888 8.163 2.023) 15.390 3.506 ( 11.257 8.578 4.317) 14.797 3.569 ( -1.270 -1.838 -2.018) 3.011 4.375 ( 7.449 -5.320 3.784) 9.905 4.632 ( -2.631 17.577 5.121) 18.496 4.955 ( -6.048 3.178 -5.568) 8.813 5.136 ( 2.157 -8.633 -3.023) 9.398 5.583 ( 5.358 -0.442 -4.054) 6.734 5.749 ( 0.522 10.672 0.563) 10.700 6.078 ( -10.214 8.569 -4.587) 14.099 6.493 ( -1.220 14.556 3.677) 15.063 6.579 ( 8.564 1.658 5.619) 10.376 6.717 ( 6.911 4.254 -3.417) 8.805 7.418 ( -1.895 -1.781 -0.172) 2.607 7.688 ( 0.560 -6.622 0.692) 6.682 8.203 ( 2.145 23.417 -4.830) 24.006 9.239 ( -1.424 1.302 -0.271) 1.949 9.839 ( 3.537 -25.624 -3.093) 26.051 10.177 ( -8.487 -6.767 2.763) 11.200 19.677 ( 2.488 -0.412 0.324) 2.543 19.957 ( -0.610 2.235 -0.300) 2.336 20.009 ( 1.212 2.845 -0.892) 3.219 20.147 ( -1.995 1.171 -0.132) 2.317 24.963 ( -0.421 -0.570 1.188) 1.384 25.215 ( -0.038 -0.528 -0.647) 0.837 32.414 ( -0.610 -1.522 0.490) 1.711 32.440 ( -0.586 -1.201 -1.180) 1.783 41.475 ( 8.320 -3.879 1.834) 9.361 42.859 ( -8.279 6.017 -3.787) 10.913 43.362 ( -0.670 6.502 10.698) 12.537 44.755 ( 4.639 7.191 -17.268) 19.272 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -5.183 11.302 7.032) 14.285 3.122 ( -1.467 -1.929 2.691) 3.622 3.264 ( -3.818 -9.891 -4.572) 11.546 3.629 ( 9.976 3.110 2.288) 10.697 3.985 ( 16.924 16.035 5.726) 24.007 4.495 ( 12.814 -6.659 1.397) 14.509 4.680 ( -2.192 10.371 -5.516) 11.950 4.937 ( -5.799 2.397 3.128) 7.012 5.020 ( -4.862 -1.623 -4.137) 6.587 5.665 ( 10.095 -5.090 -1.308) 11.381 5.798 ( -3.195 3.400 -0.296) 4.674 6.097 ( 4.272 12.972 -2.455) 13.876 6.574 ( -7.436 14.728 2.916) 16.754 6.733 ( 5.076 -5.197 6.307) 9.620 6.831 ( 5.592 0.356 -4.032) 6.904 7.387 ( 0.757 3.868 -1.176) 4.113 7.678 ( 4.086 -4.358 -0.799) 6.027 8.443 ( 3.362 21.601 -3.023) 22.069 9.222 ( -1.772 0.574 1.028) 2.128 9.628 ( 0.498 -25.123 -3.332) 25.348 9.968 ( -10.877 -4.892 3.336) 12.385 19.724 ( 3.354 -0.465 0.242) 3.395 19.976 ( -0.127 3.234 -0.385) 3.259 20.042 ( 1.139 0.968 -0.704) 1.652 20.113 ( -2.754 0.066 0.323) 2.773 24.953 ( -0.703 -0.489 0.594) 1.043 25.210 ( 0.083 -0.152 -0.347) 0.388 32.395 ( -0.667 -0.611 0.502) 1.035 32.412 ( -0.956 -1.039 -0.849) 1.647 41.637 ( 13.845 -3.113 2.520) 14.412 42.776 ( -9.163 12.217 -7.010) 16.804 43.372 ( -6.233 -2.372 8.278) 10.630 44.836 ( 6.944 3.340 -7.759) 10.934 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -6.835 4.715 5.847) 10.155 2.986 ( -3.408 -9.215 -4.045) 10.626 3.220 ( 1.338 1.057 -0.139) 1.711 3.688 ( -3.130 -1.096 0.419) 3.343 4.374 ( 13.797 5.449 4.669) 15.551 4.662 ( 12.347 -3.077 -1.230) 12.784 4.722 ( -16.568 -0.433 0.410) 16.579 4.781 ( 6.405 8.438 -5.750) 12.054 5.010 ( 0.172 1.196 2.587) 2.855 5.707 ( -1.476 1.615 -4.306) 4.830 5.855 ( 7.618 -2.002 3.563) 8.645 6.354 ( 14.318 8.632 -1.399) 16.777 6.562 ( -9.762 10.467 0.941) 14.343 6.669 ( -3.151 -11.010 2.512) 11.725 6.853 ( 0.191 -1.852 -1.453) 2.361 7.535 ( 6.653 9.256 1.100) 11.452 7.699 ( 2.579 -2.820 -1.858) 4.249 8.667 ( 5.210 13.599 -1.561) 14.646 9.208 ( -2.106 -0.331 3.274) 3.907 9.373 ( -4.111 -15.150 -3.081) 15.997 9.802 ( -5.553 -4.207 1.085) 7.051 19.769 ( 2.253 -0.127 0.113) 2.260 20.005 ( 0.003 3.232 -0.432) 3.261 20.056 ( 0.717 -1.678 -0.220) 1.838 20.075 ( -1.519 0.297 0.399) 1.599 24.938 ( -0.839 -0.479 0.157) 0.978 25.211 ( 0.259 0.122 -0.091) 0.301 32.381 ( -1.498 -0.200 0.235) 1.529 32.391 ( 0.409 -0.485 -0.321) 0.711 41.860 ( 14.158 -1.769 2.374) 14.465 42.716 ( -9.290 13.552 -7.281) 17.971 43.208 ( -10.570 -10.073 5.749) 15.692 44.980 ( 10.366 3.529 -1.842) 11.104 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -11.932 -8.538 1.874) 14.791 2.935 ( 2.101 1.818 -3.319) 4.329 3.244 ( -0.523 0.926 1.611) 1.930 3.599 ( -4.259 -2.682 0.162) 5.036 4.356 ( -11.223 -8.754 -4.683) 14.984 4.628 ( -2.388 6.075 8.713) 10.887 4.811 ( 5.253 1.252 0.208) 5.404 4.939 ( 9.547 3.403 -5.478) 11.521 5.051 ( 3.332 -2.345 0.205) 4.080 5.671 ( -4.727 4.719 1.684) 6.888 5.925 ( 3.478 -3.406 -1.079) 4.986 6.423 ( -10.936 -4.902 0.258) 11.987 6.550 ( -0.661 -4.470 -0.734) 4.578 6.646 ( 4.781 8.338 0.909) 9.654 6.862 ( 6.199 1.733 -0.256) 6.442 7.610 ( -2.448 -5.005 -0.450) 5.590 7.726 ( 0.688 4.020 0.502) 4.109 8.828 ( 3.821 3.124 -0.323) 4.946 9.122 ( -2.670 -3.846 0.468) 4.705 9.331 ( 4.511 3.272 -0.245) 5.579 9.736 ( 0.378 0.705 0.029) 0.801 19.791 ( 0.349 0.188 0.004) 0.396 20.024 ( 0.009 0.809 -0.240) 0.843 20.034 ( -0.559 -1.185 0.275) 1.339 20.081 ( 0.737 0.490 -0.039) 0.886 24.920 ( -0.812 -0.470 -0.000) 0.938 25.218 ( 0.400 0.227 -0.000) 0.460 32.358 ( -0.825 -0.464 0.001) 0.946 32.404 ( 1.042 0.573 -0.001) 1.190 42.050 ( 7.910 1.597 0.100) 8.071 42.649 ( -8.820 5.911 -0.432) 10.626 42.931 ( -9.897 -13.812 0.350) 16.996 45.223 ( 13.485 7.804 -0.018) 15.581 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -14.234 -9.042 1.144) 16.902 2.996 ( 3.366 2.599 -1.183) 4.414 3.242 ( -0.926 -0.266 2.406) 2.591 3.497 ( -4.160 -7.174 -0.194) 8.295 4.079 ( -14.756 0.695 0.695) 14.789 4.651 ( -4.040 1.386 6.053) 7.408 4.791 ( -4.630 -13.344 -1.021) 14.161 4.984 ( 4.239 -5.831 -9.294) 11.762 5.128 ( 4.036 9.287 0.968) 10.172 5.713 ( 0.817 6.069 6.421) 8.873 5.930 ( 1.476 -0.939 -5.925) 6.178 6.124 ( -11.473 -17.625 1.280) 21.069 6.503 ( -1.827 0.971 -0.175) 2.076 6.722 ( -7.387 15.265 2.853) 17.197 7.048 ( 9.326 2.728 -1.232) 9.795 7.467 ( -6.197 -6.384 -2.130) 9.148 7.700 ( -4.046 -4.483 1.558) 6.236 8.804 ( -8.585 3.266 -0.838) 9.223 9.117 ( 0.726 1.174 -0.075) 1.382 9.473 ( 14.295 -8.634 -1.749) 16.792 9.898 ( 10.861 15.842 1.966) 19.308 19.783 ( -0.843 -0.929 0.105) 1.258 20.012 ( -0.780 -1.180 -0.099) 1.418 20.030 ( 0.125 0.322 -0.360) 0.499 20.100 ( 0.356 1.724 0.188) 1.770 24.904 ( -0.636 -0.430 0.147) 0.781 25.227 ( 0.490 0.190 -0.089) 0.533 32.348 ( 0.129 -0.346 0.021) 0.370 32.433 ( 1.646 0.892 -0.151) 1.879 42.132 ( -0.505 5.006 -2.765) 5.741 42.455 ( -14.904 -10.864 8.017) 20.110 42.751 ( 2.084 -7.479 -4.963) 9.215 45.537 ( 13.451 12.286 -1.435) 18.274 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -14.108 -5.438 5.912) 16.234 3.031 ( -2.641 -2.573 -0.129) 3.689 3.215 ( -3.889 -2.712 2.682) 5.447 3.353 ( -0.521 -4.958 0.060) 4.985 3.942 ( -10.858 10.074 3.618) 15.247 4.432 ( -13.122 -21.313 -2.869) 25.192 4.578 ( -8.116 -1.005 4.419) 9.296 5.027 ( 7.191 0.076 -7.723) 10.553 5.284 ( 3.922 7.717 2.228) 8.939 5.709 ( -12.867 -15.044 -0.315) 19.798 5.788 ( -2.413 3.444 1.713) 4.540 5.981 ( 3.207 -1.178 -3.473) 4.872 6.540 ( 2.103 5.678 1.687) 6.285 6.720 ( -11.863 14.293 2.035) 18.686 7.134 ( -2.271 3.426 0.093) 4.112 7.315 ( -3.544 -5.049 -1.959) 6.472 7.563 ( -5.222 -8.469 0.834) 9.985 8.646 ( -15.385 7.459 -2.740) 17.316 9.129 ( 0.336 -0.352 -0.287) 0.565 9.589 ( 12.640 -10.493 -1.397) 16.487 10.337 ( 21.762 14.501 1.960) 26.224 19.752 ( -1.017 -2.237 0.271) 2.472 19.978 ( -0.916 -2.710 0.007) 2.860 20.033 ( -1.630 3.262 -1.206) 3.841 20.125 ( 0.208 2.279 0.321) 2.311 24.894 ( -0.337 -0.360 0.560) 0.746 25.236 ( 0.549 0.062 -0.299) 0.628 32.356 ( 1.147 -0.342 0.033) 1.197 32.468 ( 1.875 0.684 -0.492) 2.056 42.080 ( -6.172 -12.642 3.771) 14.565 42.197 ( -8.870 6.357 -1.419) 11.004 42.715 ( 2.809 -8.820 -1.473) 9.373 45.833 ( 9.435 13.259 -5.349) 17.130 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( -0.000 13.283 8.290) 15.658 3.143 ( 0.000 0.485 1.837) 1.900 3.224 ( -0.000 5.674 1.256) 5.812 3.470 ( 0.000 -15.338 -5.627) 16.338 3.513 ( -0.000 16.650 -1.737) 16.740 4.286 ( 0.000 -5.822 7.047) 9.141 4.828 ( -0.000 8.400 3.124) 8.963 4.965 ( 0.000 -7.405 -3.777) 8.313 5.053 ( -0.000 5.750 -3.539) 6.752 5.555 ( -0.000 2.976 -1.327) 3.258 5.872 ( -0.000 14.185 -1.708) 14.288 6.218 ( -0.000 2.236 -2.452) 3.319 6.420 ( 0.000 -8.300 1.076) 8.369 6.641 ( -0.000 13.531 3.224) 13.910 6.765 ( -0.000 9.031 1.315) 9.126 7.408 ( 0.000 -2.772 -0.648) 2.847 7.592 ( 0.000 -10.414 -0.380) 10.421 8.413 ( -0.000 27.275 -2.840) 27.423 9.261 ( -0.000 1.240 -1.001) 1.594 9.575 ( 0.000 -23.078 -1.372) 23.119 10.201 ( 0.000 -6.487 3.998) 7.621 19.655 ( 0.000 -0.183 0.408) 0.447 19.960 ( 0.000 -0.106 -0.063) 0.123 20.044 ( -0.000 5.151 -0.847) 5.220 20.166 ( 0.000 -0.347 -0.112) 0.365 24.965 ( 0.000 -0.567 0.577) 0.809 25.209 ( -0.000 -0.261 -0.362) 0.447 32.405 ( 0.000 -1.338 -0.093) 1.341 32.435 ( -0.000 -0.392 -0.353) 0.528 41.384 ( 0.000 -2.812 1.942) 3.417 42.925 ( -0.000 0.582 -2.218) 2.293 43.451 ( -0.000 5.313 -1.371) 5.487 44.758 ( -0.000 9.081 -3.402) 9.697 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -6.475 9.744 2.160) 11.897 3.152 ( -3.309 -2.673 2.587) 4.979 3.195 ( -2.846 -8.396 -5.036) 10.196 3.428 ( 13.230 -2.149 -2.405) 13.617 3.838 ( 19.578 14.861 -1.087) 24.603 4.287 ( 3.738 -10.926 6.495) 13.249 4.782 ( -4.690 5.440 -7.260) 10.212 4.977 ( 3.419 -4.279 1.314) 5.632 5.075 ( -2.208 3.246 0.218) 3.932 5.567 ( -1.447 2.478 0.579) 2.928 5.921 ( -7.207 5.033 1.033) 8.851 6.179 ( -0.966 9.088 -4.990) 10.412 6.495 ( 12.577 -9.449 1.620) 15.814 6.772 ( 0.826 8.478 3.605) 9.250 6.823 ( -1.445 3.010 1.350) 3.602 7.398 ( 1.532 2.217 -1.493) 3.080 7.527 ( 3.657 -8.460 -0.656) 9.240 8.639 ( -1.329 23.166 -1.169) 23.233 9.255 ( -1.009 0.828 -0.110) 1.310 9.387 ( 1.724 -19.412 -0.524) 19.495 10.102 ( -7.806 -4.338 3.850) 9.725 19.675 ( 2.238 -0.225 0.349) 2.276 19.970 ( 1.360 0.059 -0.172) 1.372 20.076 ( -1.298 4.136 -0.572) 4.373 20.143 ( -1.582 -1.440 0.250) 2.154 24.958 ( -0.362 -0.571 -0.036) 0.677 25.207 ( 0.033 0.076 -0.025) 0.087 32.392 ( -0.189 -0.717 -0.442) 0.863 32.426 ( -0.929 0.039 0.281) 0.971 41.442 ( 8.321 -1.920 2.469) 8.890 42.909 ( -1.781 3.667 -3.887) 5.632 43.421 ( -3.267 -2.134 -7.631) 8.571 44.849 ( -0.239 7.961 7.431) 10.893 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -6.787 -16.314 -4.117) 18.142 2.962 ( -4.317 7.267 -2.416) 8.791 3.219 ( 0.518 3.694 1.841) 4.159 3.605 ( 10.863 -3.340 -4.379) 12.180 4.206 ( 4.152 -6.137 -1.553) 7.571 4.344 ( 22.968 1.095 1.344) 23.033 4.781 ( 0.896 5.030 -5.134) 7.243 4.956 ( -5.697 0.977 5.165) 7.751 5.044 ( -3.096 -0.971 1.436) 3.548 5.613 ( 5.914 1.146 0.392) 6.037 5.837 ( -3.505 0.555 0.716) 3.620 6.263 ( 3.703 2.910 -4.007) 6.184 6.571 ( 4.623 -4.407 -0.439) 6.402 6.753 ( -6.410 -4.997 1.569) 8.278 6.870 ( 1.082 4.656 3.791) 6.101 7.495 ( 4.501 2.354 0.237) 5.085 7.561 ( 8.620 -0.988 -2.131) 8.934 8.741 ( -1.692 3.801 0.864) 4.249 9.237 ( -1.866 -6.684 1.123) 7.029 9.314 ( 1.292 7.133 -0.403) 7.260 9.931 ( -11.007 -1.795 2.482) 11.425 19.720 ( 3.254 -0.131 0.270) 3.268 20.000 ( 2.182 -0.022 -0.234) 2.194 20.070 ( -2.407 1.623 -0.301) 2.918 20.103 ( -1.878 -0.984 0.506) 2.180 24.944 ( -0.589 -0.575 -0.467) 0.947 25.211 ( 0.094 0.330 0.227) 0.412 32.381 ( -0.305 -0.378 -0.757) 0.900 32.412 ( -1.301 0.682 0.837) 1.690 41.625 ( 13.827 -1.117 3.089) 14.212 42.897 ( -3.842 7.177 -5.597) 9.879 43.235 ( -7.139 -11.092 -8.053) 15.454 44.974 ( 1.317 8.325 11.584) 14.326 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -5.723 -16.478 -5.919) 18.420 2.964 ( -2.200 6.389 -1.768) 6.985 3.258 ( 0.070 1.971 0.647) 2.076 3.628 ( -1.443 -3.377 -3.213) 4.880 4.161 ( 9.049 -16.959 -6.482) 20.285 4.679 ( 8.163 2.000 -0.454) 8.416 4.833 ( 4.348 0.747 -0.695) 4.466 4.925 ( -0.816 6.353 6.597) 9.195 4.975 ( -5.368 -3.138 3.594) 7.182 5.719 ( 3.547 4.245 -5.163) 7.567 5.857 ( 1.775 -1.457 5.204) 5.689 6.318 ( 10.329 -8.402 -4.047) 13.916 6.550 ( -6.521 -13.275 1.078) 14.829 6.601 ( 0.710 4.857 -2.167) 5.366 6.943 ( -1.048 7.483 3.874) 8.491 7.523 ( 3.458 -8.911 0.472) 9.570 7.711 ( 5.014 3.422 -1.281) 6.204 8.731 ( 4.667 -8.527 2.413) 10.016 9.149 ( -3.253 -1.169 -0.804) 3.549 9.458 ( -3.918 19.675 2.761) 20.250 9.783 ( -4.937 1.544 -0.119) 5.175 19.770 ( 2.331 0.071 0.174) 2.338 20.016 ( 0.497 -2.288 0.256) 2.355 20.049 ( -1.391 1.534 -0.421) 2.113 20.077 ( -0.158 -0.246 0.410) 0.504 24.926 ( -0.638 -0.561 -0.603) 1.042 25.218 ( 0.134 0.427 0.306) 0.543 32.365 ( -0.764 -0.325 -0.544) 0.992 32.411 ( -0.460 1.459 0.750) 1.704 41.870 ( 14.533 -0.053 3.271) 14.897 42.842 ( -8.020 6.009 -4.393) 10.942 42.924 ( -9.640 -17.879 -6.645) 21.371 45.180 ( 6.423 11.842 10.091) 16.832 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -5.919 -14.371 -4.884) 16.292 2.995 ( 0.408 4.771 -1.124) 4.919 3.262 ( -0.660 -0.002 -0.083) 0.665 3.503 ( -5.721 -7.327 -1.159) 9.368 4.113 ( 4.137 -10.409 -4.295) 11.997 4.722 ( 3.269 -4.015 -1.742) 5.463 4.798 ( -6.452 -14.201 -1.373) 15.658 4.845 ( -5.596 2.939 7.585) 9.874 5.130 ( 7.738 9.103 0.760) 11.972 5.781 ( 1.779 3.747 -0.247) 4.155 5.861 ( 1.290 -1.365 0.887) 2.077 6.146 ( -11.838 -18.197 -1.745) 21.778 6.504 ( 2.291 0.022 -0.274) 2.307 6.757 ( 15.906 1.532 -1.943) 16.097 7.019 ( -1.067 9.967 2.685) 10.377 7.449 ( -1.740 -9.531 0.245) 9.691 7.714 ( -2.827 -5.491 -0.266) 6.182 8.783 ( 8.908 -7.058 2.036) 11.547 9.123 ( 0.289 1.265 -0.959) 1.614 9.448 ( -12.145 7.485 1.685) 14.366 9.914 ( 7.336 18.074 -0.228) 19.507 19.783 ( -0.303 -1.076 0.044) 1.118 20.011 ( -0.027 -1.260 0.105) 1.265 20.025 ( -0.126 -0.336 0.215) 0.418 20.102 ( 1.325 1.393 -0.027) 1.922 24.909 ( -0.511 -0.515 -0.429) 0.843 25.225 ( 0.145 0.386 0.214) 0.465 32.350 ( -0.593 -0.059 -0.193) 0.626 32.429 ( 0.371 1.680 0.377) 1.762 42.089 ( 8.836 1.196 2.547) 9.273 42.553 ( -9.749 -21.250 -1.950) 23.461 42.724 ( -8.149 2.346 -4.189) 9.458 45.486 ( 10.154 15.479 5.565) 19.331 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -5.752 -9.962 -0.000) 11.503 3.037 ( 0.378 0.655 -0.000) 0.757 3.254 ( 0.151 0.261 -0.000) 0.301 3.318 ( -5.513 -9.548 0.000) 11.025 4.082 ( -0.061 -0.105 -0.000) 0.121 4.424 ( -13.095 -22.682 -0.000) 26.190 4.789 ( -1.345 -2.330 -0.000) 2.691 4.804 ( 1.595 2.763 0.000) 3.191 5.308 ( 4.677 8.101 -0.000) 9.354 5.752 ( -11.246 -19.478 -0.000) 22.491 5.842 ( 0.999 1.730 -0.000) 1.997 5.922 ( 2.763 4.785 -0.000) 5.525 6.528 ( 0.750 1.300 -0.000) 1.501 6.954 ( 2.820 4.884 -0.000) 5.640 7.144 ( 4.701 8.142 -0.000) 9.402 7.315 ( -4.361 -7.554 -0.000) 8.722 7.559 ( -5.650 -9.786 -0.000) 11.300 8.862 ( 1.102 1.909 -0.000) 2.204 9.142 ( 0.094 0.163 -0.000) 0.188 9.343 ( -1.299 -2.251 -0.000) 2.599 10.240 ( 10.547 18.269 -0.000) 21.095 19.751 ( -1.296 -2.244 -0.000) 2.591 19.972 ( -1.374 -2.380 -0.000) 2.748 20.062 ( 1.468 2.542 -0.000) 2.935 20.133 ( 0.860 1.490 -0.000) 1.720 24.897 ( -0.250 -0.433 -0.000) 0.500 25.231 ( 0.149 0.258 -0.000) 0.298 32.345 ( 0.045 0.078 -0.000) 0.090 32.454 ( 0.793 1.374 -0.000) 1.587 42.081 ( -7.193 -12.459 -0.000) 14.387 42.323 ( -1.050 -1.819 -0.000) 2.101 42.620 ( -2.073 -3.590 -0.000) 4.146 45.806 ( 8.786 15.219 -0.000) 17.573 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -0.000 -13.969 -13.368) 19.335 3.084 ( 0.000 -2.667 1.453) 3.037 3.229 ( -0.000 -2.956 -3.428) 4.527 3.307 ( -0.000 10.884 3.523) 11.440 3.740 ( -0.000 7.381 -0.789) 7.423 4.202 ( 0.000 -10.597 6.371) 12.364 4.826 ( -0.000 -2.369 -8.509) 8.832 4.898 ( -0.000 3.958 -1.116) 4.112 5.111 ( -0.000 0.870 -0.194) 0.891 5.639 ( 0.000 1.471 4.102) 4.358 6.101 ( -0.000 6.334 2.638) 6.861 6.217 ( -0.000 0.811 -2.683) 2.803 6.256 ( 0.000 -5.311 -2.103) 5.712 6.804 ( 0.000 -0.572 4.128) 4.168 6.871 ( 0.000 -0.766 1.881) 2.031 7.362 ( -0.000 0.251 -1.583) 1.602 7.470 ( -0.000 -0.091 -0.471) 0.480 8.810 ( -0.000 4.087 0.886) 4.182 9.258 ( 0.000 -0.331 1.430) 1.467 9.265 ( -0.000 0.431 -1.341) 1.409 10.158 ( 0.000 -1.815 4.351) 4.714 19.656 ( 0.000 -0.231 0.345) 0.416 19.957 ( -0.000 -0.039 -0.350) 0.352 20.120 ( -0.000 1.922 0.001) 1.922 20.141 ( 0.000 -1.082 0.308) 1.125 24.954 ( -0.000 -0.610 -0.652) 0.893 25.210 ( 0.000 0.365 0.307) 0.477 32.387 ( -0.000 -0.073 -0.612) 0.616 32.438 ( 0.000 0.469 0.706) 0.847 41.373 ( 0.000 -0.809 2.631) 2.753 42.915 ( -0.000 0.962 -2.875) 3.032 43.367 ( -0.000 -3.335 -16.676) 17.006 44.995 ( 0.000 7.327 18.088) 19.516 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -3.850 -19.854 -13.372) 24.245 3.078 ( -2.655 3.143 -0.112) 4.116 3.281 ( 9.506 -2.938 -2.737) 10.320 3.357 ( -1.761 6.126 -2.980) 7.037 3.947 ( 16.603 -13.680 4.618) 22.003 4.154 ( 3.541 3.745 -2.001) 5.529 4.742 ( 1.056 -5.603 -8.295) 10.065 4.992 ( 3.306 5.928 2.538) 7.247 5.096 ( -2.634 0.338 1.119) 2.882 5.632 ( -1.894 0.854 3.596) 4.153 5.935 ( -9.719 -4.621 1.306) 10.840 6.233 ( -1.435 -1.992 -2.362) 3.407 6.412 ( 12.506 3.079 -1.846) 13.011 6.754 ( -3.505 -11.296 2.378) 12.064 6.877 ( 3.216 -1.915 4.432) 5.801 7.406 ( 3.556 -1.595 -1.152) 4.064 7.507 ( 2.809 7.756 -1.781) 8.439 8.710 ( -1.352 -17.982 3.262) 18.326 9.239 ( -2.141 0.021 -1.108) 2.411 9.419 ( 3.108 21.356 1.058) 21.607 10.110 ( -8.418 1.565 4.609) 9.724 19.674 ( 2.281 -0.134 0.326) 2.309 19.967 ( 1.413 -0.092 -0.411) 1.474 20.096 ( -1.152 -3.091 0.728) 3.378 20.140 ( -1.891 1.847 0.027) 2.644 24.942 ( -0.288 -0.604 -1.075) 1.266 25.216 ( -0.008 0.590 0.525) 0.790 32.383 ( -0.358 0.458 -0.709) 0.917 32.442 ( -0.818 0.977 1.049) 1.650 41.452 ( 8.274 0.072 3.124) 8.844 42.923 ( 1.153 1.117 -2.801) 3.228 43.189 ( -5.319 -7.314 -18.405) 20.506 45.142 ( -1.630 6.847 21.845) 22.951 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -2.147 -20.064 -12.773) 23.881 3.062 ( -3.304 4.204 -0.513) 5.372 3.326 ( -4.631 5.900 -0.884) 7.553 3.450 ( 15.100 -6.471 -7.557) 18.083 3.859 ( 2.456 -22.119 -2.124) 22.357 4.474 ( 20.120 5.788 -0.269) 20.938 4.681 ( 4.180 -10.117 -3.940) 11.634 5.003 ( -7.238 -1.976 5.656) 9.396 5.129 ( -0.033 7.874 2.891) 8.388 5.704 ( 2.940 6.295 1.184) 7.047 5.816 ( 2.832 -3.980 0.327) 4.896 6.135 ( -1.873 -8.419 -0.429) 8.635 6.504 ( -5.119 -14.611 -1.678) 15.573 6.597 ( 3.233 -1.476 -1.670) 3.927 6.967 ( 5.305 0.025 4.725) 7.104 7.411 ( 1.611 -4.184 0.449) 4.506 7.642 ( 5.586 3.777 -3.070) 7.409 8.563 ( 2.808 -17.416 4.491) 18.204 9.191 ( -2.899 -0.006 -1.032) 3.077 9.705 ( 4.378 25.554 0.246) 25.927 9.972 ( -14.868 5.287 4.805) 16.495 19.725 ( 3.382 0.318 0.311) 3.411 19.984 ( 1.133 -1.571 0.107) 1.940 20.060 ( 0.007 -1.634 0.473) 1.701 20.107 ( -3.129 -0.023 -0.038) 3.129 24.924 ( -0.426 -0.575 -1.204) 1.401 25.225 ( -0.062 0.678 0.582) 0.896 32.376 ( -0.813 0.667 -0.637) 1.229 32.444 ( -1.005 1.666 1.140) 2.255 41.655 ( 13.749 0.773 3.759) 14.274 42.851 ( -6.730 -16.000 -6.672) 18.596 42.961 ( -4.453 3.692 -11.222) 12.625 45.304 ( 0.692 9.578 19.646) 21.867 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.005 -18.614 -10.807) 21.524 3.049 ( -2.347 3.404 -0.416) 4.156 3.283 ( -3.092 0.538 -2.872) 4.254 3.486 ( -1.061 -9.518 -2.523) 9.904 3.790 ( 15.627 -13.776 -6.477) 21.816 4.610 ( 2.050 -8.032 -2.445) 8.642 4.734 ( 3.201 -14.312 2.385) 14.858 4.920 ( 0.784 4.412 5.272) 6.919 5.192 ( -2.367 8.464 3.058) 9.305 5.732 ( 2.156 0.213 -2.702) 3.463 5.883 ( -2.832 -3.458 5.451) 7.049 6.150 ( -3.549 -7.917 -3.236) 9.260 6.262 ( 16.453 -10.758 -0.933) 19.680 6.631 ( 1.163 0.874 -2.294) 2.717 7.066 ( 3.921 0.869 2.321) 4.639 7.384 ( 0.119 -6.185 1.497) 6.365 7.677 ( 0.656 -5.020 -2.134) 5.494 8.541 ( 9.118 -12.693 4.120) 16.162 9.147 ( -2.107 0.459 -0.540) 2.223 9.779 ( -14.154 3.251 2.035) 14.665 10.037 ( 1.792 31.233 0.613) 31.291 19.771 ( 1.245 -0.239 0.055) 1.269 19.980 ( 1.530 -2.129 1.135) 2.857 20.045 ( -2.874 -1.469 -0.245) 3.237 20.082 ( 2.179 0.537 -0.107) 2.247 24.907 ( -0.370 -0.537 -1.017) 1.208 25.232 ( -0.144 0.636 0.493) 0.818 32.365 ( -1.053 0.781 -0.333) 1.353 32.453 ( -0.671 2.110 0.881) 2.383 41.920 ( 14.610 1.438 4.285) 15.293 42.485 ( -10.406 -19.339 -9.217) 23.816 42.868 ( -7.692 0.532 -2.382) 8.070 45.545 ( 5.553 13.926 13.120) 19.923 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -0.000 -21.709 -18.168) 28.309 3.070 ( -0.000 -8.609 -7.262) 11.263 3.122 ( -0.000 2.329 0.702) 2.433 3.524 ( -0.000 10.403 -1.389) 10.495 3.652 ( 0.000 -19.748 5.493) 20.498 4.156 ( -0.000 5.051 -0.998) 5.149 4.579 ( 0.000 -14.188 -10.513) 17.658 5.052 ( -0.000 10.318 1.979) 10.506 5.137 ( -0.000 2.301 1.538) 2.768 5.638 ( 0.000 -5.352 1.598) 5.585 5.982 ( 0.000 -13.958 4.532) 14.675 6.203 ( -0.000 0.717 -2.450) 2.552 6.349 ( -0.000 8.374 -2.378) 8.705 6.704 ( 0.000 -14.822 6.615) 16.231 6.782 ( 0.000 -8.852 2.095) 9.097 7.382 ( -0.000 2.606 -2.433) 3.565 7.541 ( -0.000 6.469 -3.329) 7.275 8.538 ( 0.000 -22.647 5.005) 23.194 9.251 ( -0.000 -0.345 -1.572) 1.610 9.608 ( -0.000 22.883 -0.118) 22.884 10.253 ( 0.000 7.576 7.796) 10.871 19.655 ( 0.000 -0.140 0.368) 0.394 19.953 ( -0.000 0.088 -0.540) 0.547 20.073 ( 0.000 -4.267 0.999) 4.383 20.171 ( -0.000 0.790 0.176) 0.810 24.932 ( -0.000 -0.553 -1.506) 1.604 25.226 ( 0.000 0.801 0.696) 1.061 32.391 ( -0.000 1.174 -0.688) 1.361 32.465 ( 0.000 1.375 1.308) 1.898 41.404 ( 0.000 1.144 3.264) 3.459 42.907 ( -0.000 1.423 -3.465) 3.746 43.066 ( -0.000 -8.956 -19.896) 21.819 45.328 ( 0.000 4.445 26.840) 27.205 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -1.007 -21.871 -18.517) 28.674 3.059 ( 13.873 -11.793 -8.200) 19.969 3.136 ( -1.251 2.829 0.349) 3.113 3.461 ( -3.134 -2.437 -1.375) 4.201 3.599 ( 1.380 -16.701 1.750) 16.849 4.268 ( 8.908 5.345 -3.053) 10.828 4.456 ( 7.302 -13.697 -5.034) 16.317 5.144 ( -4.618 3.788 5.671) 8.237 5.179 ( 1.794 7.614 0.378) 7.832 5.600 ( 6.474 -7.503 -3.068) 10.374 5.814 ( -5.561 -8.379 3.281) 10.578 6.169 ( -5.202 -3.559 0.611) 6.333 6.459 ( 2.870 0.169 0.834) 2.994 6.477 ( -3.742 -16.474 0.815) 16.913 6.835 ( 9.480 -5.892 4.439) 12.012 7.387 ( -0.218 0.083 -2.286) 2.297 7.587 ( 2.366 2.736 -5.284) 6.404 8.380 ( 1.740 -18.665 6.212) 19.748 9.223 ( -1.875 -0.509 -1.380) 2.383 9.818 ( 3.164 16.738 -3.582) 17.407 10.330 ( -9.194 16.780 11.319) 22.231 19.679 ( 2.610 0.312 0.461) 2.669 19.958 ( 0.715 -0.623 -0.250) 0.981 20.037 ( 0.117 -3.725 0.882) 3.830 20.151 ( -2.478 -0.998 0.059) 2.672 24.918 ( -0.215 -0.481 -1.672) 1.753 25.237 ( -0.111 0.897 0.720) 1.155 32.396 ( -0.651 1.624 -0.604) 1.851 32.481 ( -0.686 1.884 1.423) 2.459 41.504 ( 8.209 1.922 3.720) 9.215 42.790 ( -7.454 -11.822 -13.106) 19.160 42.951 ( 2.101 0.975 -8.005) 8.334 45.489 ( -0.737 4.931 26.641) 27.104 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 1.988 -20.953 -16.271) 26.603 3.097 ( 0.551 -6.821 0.654) 6.875 3.201 ( 11.723 -6.180 -7.865) 15.410 3.401 ( 3.828 -13.677 -2.402) 14.405 3.419 ( -1.773 -5.191 -3.052) 6.277 4.403 ( 11.121 -14.236 0.244) 18.067 4.537 ( 9.188 0.987 -1.475) 9.358 5.054 ( -9.684 -2.231 6.825) 12.055 5.244 ( 2.629 1.734 -1.931) 3.694 5.679 ( 3.481 -7.112 0.657) 7.946 5.821 ( 17.830 1.873 -2.356) 18.082 5.983 ( -10.741 -11.287 5.765) 16.613 6.187 ( -7.872 -9.917 -2.367) 12.881 6.585 ( 5.142 0.702 0.409) 5.206 6.951 ( 8.109 -5.157 2.343) 9.892 7.355 ( -0.956 -2.526 -1.206) 2.958 7.591 ( 1.813 -4.826 -4.371) 6.759 8.322 ( 5.882 -13.255 5.879) 15.648 9.178 ( -2.090 -0.600 -0.629) 2.263 9.918 ( -2.639 4.891 -3.368) 6.498 10.444 ( -8.667 30.921 8.345) 33.180 19.738 ( 3.105 0.709 0.372) 3.207 19.946 ( 0.204 -3.034 1.222) 3.277 20.040 ( 2.514 -0.641 -0.441) 2.632 20.082 ( -3.511 -2.566 -0.001) 4.349 24.901 ( -0.265 -0.445 -1.516) 1.602 25.245 ( -0.280 0.865 0.631) 1.107 32.394 ( -1.259 1.815 -0.373) 2.240 32.493 ( -0.991 2.294 1.254) 2.796 41.724 ( 13.567 2.325 4.411) 14.454 42.445 ( -10.780 -15.397 -12.100) 22.354 42.936 ( -2.333 -0.647 -2.775) 3.683 45.675 ( 2.089 8.938 20.755) 22.694 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.000 -22.359 -21.613) 31.098 2.755 ( 0.000 -17.892 -8.585) 19.845 3.182 ( -0.000 2.770 1.506) 3.153 3.255 ( 0.000 -25.296 5.003) 25.786 3.632 ( -0.000 2.737 -5.985) 6.581 4.162 ( 0.000 -19.620 -4.189) 20.062 4.290 ( -0.000 8.952 -0.949) 9.002 5.208 ( -0.000 -0.602 -2.315) 2.392 5.273 ( -0.000 10.531 2.308) 10.781 5.400 ( 0.000 -16.804 -2.420) 16.977 5.780 ( 0.000 -11.821 4.508) 12.652 6.181 ( 0.000 -3.861 -0.246) 3.869 6.368 ( 0.000 -6.232 -0.483) 6.251 6.495 ( 0.000 -9.852 8.254) 12.853 6.684 ( 0.000 -1.910 2.220) 2.928 7.372 ( -0.000 -1.040 -3.710) 3.853 7.554 ( -0.000 -0.172 -7.820) 7.822 8.235 ( 0.000 -15.831 7.317) 17.440 9.225 ( -0.000 -0.706 -1.655) 1.799 9.905 ( -0.000 12.556 -6.134) 13.974 10.648 ( -0.000 21.529 15.434) 26.490 19.662 ( 0.000 0.511 0.596) 0.785 19.948 ( -0.000 -0.069 -0.566) 0.570 19.999 ( 0.000 -4.624 1.129) 4.760 20.157 ( 0.000 -2.448 0.063) 2.449 24.907 ( -0.000 -0.332 -1.937) 1.966 25.250 ( -0.000 1.016 0.713) 1.241 32.418 ( -0.000 2.334 -0.517) 2.391 32.513 ( -0.000 2.159 1.555) 2.661 41.476 ( 0.000 2.820 3.745) 4.688 42.685 ( -0.000 -12.204 -17.061) 20.976 42.900 ( -0.000 1.596 -3.874) 4.190 45.663 ( 0.000 2.073 30.084) 30.155 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 1.548 -21.845 -20.450) 29.963 2.661 ( 16.240 -23.559 -7.306) 29.532 3.083 ( 2.851 -21.504 2.123) 21.796 3.218 ( 0.675 1.065 1.000) 1.610 3.495 ( -7.025 -6.599 -6.394) 11.566 4.089 ( 10.637 -11.994 1.136) 16.071 4.433 ( 6.429 5.813 -0.981) 8.723 5.002 ( -0.569 -30.628 -8.297) 31.737 5.295 ( -4.855 6.642 4.561) 9.407 5.488 ( 10.934 5.676 -0.808) 12.346 5.698 ( 0.273 -7.474 3.310) 8.179 6.078 ( -6.828 -8.302 3.432) 11.284 6.214 ( -6.692 -9.060 -0.788) 11.291 6.522 ( 4.855 2.647 4.703) 7.259 6.775 ( 8.004 -3.822 2.127) 9.121 7.331 ( -0.336 -3.208 -3.888) 5.052 7.498 ( 0.600 -4.981 -7.199) 8.775 8.162 ( 3.050 -12.348 6.923) 14.481 9.197 ( -1.534 -0.883 -1.197) 2.137 9.976 ( -0.381 8.043 -6.232) 10.181 10.890 ( -5.851 26.520 13.959) 30.535 19.697 ( 2.889 1.126 0.736) 3.186 19.930 ( -0.991 -2.746 0.731) 3.010 19.986 ( 2.349 -1.828 -0.226) 2.984 20.104 ( -2.666 -3.812 -0.093) 4.653 24.893 ( -0.162 -0.254 -1.901) 1.925 25.261 ( -0.223 1.009 0.611) 1.200 32.432 ( -0.930 2.697 -0.346) 2.874 32.536 ( -0.674 2.376 1.425) 2.852 41.592 ( 8.163 3.308 4.157) 9.739 42.414 ( -8.523 -13.105 -13.419) 20.602 42.918 ( 1.620 0.150 -3.288) 3.668 45.829 ( 0.657 3.469 27.626) 27.851 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.000 -21.741 -21.506) 30.581 2.226 ( 0.000 -30.641 -6.275) 31.277 2.867 ( 0.000 -19.981 2.351) 20.119 3.220 ( 0.000 -5.221 1.488) 5.429 3.376 ( 0.000 -20.702 -4.036) 21.091 3.919 ( 0.000 -7.900 0.485) 7.915 4.448 ( -0.000 8.404 -0.435) 8.415 4.619 ( 0.000 -36.260 -12.651) 38.404 5.419 ( -0.000 5.808 2.070) 6.166 5.469 ( -0.000 8.406 0.572) 8.425 5.647 ( 0.000 -6.919 5.243) 8.681 6.074 ( 0.000 -5.743 1.333) 5.896 6.177 ( 0.000 -12.471 1.067) 12.516 6.531 ( 0.000 3.480 5.028) 6.115 6.706 ( 0.000 0.235 2.200) 2.213 7.272 ( -0.000 -4.952 -4.709) 6.834 7.405 ( -0.000 -6.256 -8.226) 10.334 8.060 ( 0.000 -11.317 6.655) 13.129 9.196 ( -0.000 -0.731 -1.621) 1.778 10.025 ( -0.000 8.571 -7.215) 11.204 11.245 ( -0.000 24.060 16.364) 29.098 19.688 ( -0.000 1.501 0.910) 1.755 19.926 ( 0.000 -4.065 0.643) 4.115 19.937 ( -0.000 -0.583 -0.509) 0.773 20.086 ( 0.000 -4.839 -0.170) 4.842 24.884 ( -0.000 -0.084 -2.091) 2.092 25.276 ( -0.000 1.030 0.491) 1.141 32.467 ( -0.000 3.211 -0.255) 3.222 32.570 ( -0.000 2.363 1.321) 2.707 41.576 ( 0.000 3.772 3.959) 5.468 42.308 ( -0.000 -12.774 -11.987) 17.518 42.890 ( -0.000 1.397 -4.038) 4.273 45.983 ( 0.000 0.770 30.916) 30.926 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 -0.000 21.161) 21.161 0.584 ( 0.000 -0.000 21.161) 21.161 1.307 ( 0.000 -0.000 44.204) 44.204 2.278 ( 0.000 -0.000 0.765) 0.765 2.278 ( 0.000 -0.000 0.765) 0.765 3.661 ( 0.000 -0.000 0.217) 0.217 4.716 ( 0.000 -0.000 0.929) 0.929 5.421 ( -0.000 0.000 -6.020) 6.020 5.421 ( -0.000 0.000 -6.020) 6.020 5.525 ( -0.000 0.000 -16.930) 16.930 5.797 ( -0.000 0.000 -0.626) 0.626 5.879 ( 0.000 -0.000 6.696) 6.696 5.879 ( 0.000 -0.000 6.696) 6.696 6.483 ( -0.000 0.000 -6.101) 6.101 6.483 ( -0.000 0.000 -6.101) 6.101 7.114 ( 0.000 -0.000 5.292) 5.292 7.114 ( 0.000 -0.000 5.292) 5.292 7.771 ( 0.000 -0.000 3.409) 3.409 9.137 ( 0.000 0.000 -1.072) 1.072 9.137 ( -0.000 0.000 -1.072) 1.072 12.027 ( -0.000 0.000 -0.039) 0.039 19.812 ( 0.000 0.000 -0.759) 0.759 19.812 ( -0.000 0.000 -0.759) 0.759 19.856 ( 0.000 -0.000 0.610) 0.610 19.856 ( 0.000 -0.000 0.610) 0.610 25.164 ( -0.000 0.000 -0.981) 0.981 25.320 ( 0.000 -0.000 0.364) 0.364 32.617 ( 0.000 -0.000 0.205) 0.205 32.656 ( -0.000 0.000 -0.170) 0.170 41.828 ( 0.000 -0.000 4.103) 4.103 41.828 ( 0.000 -0.000 4.103) 4.103 42.810 ( -0.000 0.000 -4.869) 4.869 42.810 ( -0.000 0.000 -4.869) 4.869 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 25.739 14.860 14.967) 33.276 1.261 ( 21.099 12.182 23.307) 33.716 1.794 ( 37.381 21.582 25.940) 50.358 2.359 ( 8.410 4.856 -0.630) 9.732 2.544 ( 20.539 11.858 2.972) 23.901 3.636 ( -2.273 -1.312 0.321) 2.644 4.689 ( -2.979 -1.720 0.892) 3.554 4.849 ( -29.508 -17.037 6.950) 34.775 5.381 ( -0.070 -0.040 -7.642) 7.642 5.415 ( 0.728 0.420 -3.003) 3.119 5.796 ( -0.548 -0.317 -0.549) 0.838 5.932 ( -0.556 -0.321 0.215) 0.677 5.988 ( 4.321 2.494 4.892) 6.987 6.478 ( 4.012 2.317 -6.792) 8.222 6.671 ( 7.044 4.067 -7.961) 11.381 7.143 ( 0.842 0.486 5.535) 5.620 7.178 ( 2.939 1.697 5.435) 6.407 7.634 ( -3.326 -1.920 -1.586) 4.155 9.111 ( -0.750 -0.433 -1.492) 1.725 9.719 ( 29.737 17.169 -10.620) 35.942 11.910 ( -8.216 -4.743 -4.239) 10.391 19.774 ( -0.573 -0.331 -0.933) 1.144 19.807 ( -1.828 -1.055 -0.076) 2.112 19.866 ( 1.835 1.059 0.103) 2.121 19.912 ( 3.014 1.740 0.340) 3.497 25.070 ( -6.014 -3.472 3.438) 7.748 25.302 ( -1.039 -0.600 0.001) 1.200 32.591 ( -2.407 -1.390 0.472) 2.820 32.625 ( -1.871 -1.080 -0.608) 2.245 41.829 ( 1.999 1.154 3.439) 4.142 41.904 ( 1.257 0.726 6.272) 6.438 42.703 ( -3.605 -2.081 -7.092) 8.224 43.882 ( 70.571 40.744 -45.536) 93.348 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 7.063 4.078 32.416) 33.426 1.667 ( 25.671 14.821 10.066) 31.305 2.634 ( 17.214 9.938 -0.219) 19.878 2.874 ( 43.303 25.001 9.029) 50.811 3.058 ( 24.899 14.376 2.544) 28.864 3.602 ( 1.608 0.929 0.634) 1.962 4.438 ( -13.457 -7.770 5.113) 16.359 4.597 ( -5.737 -3.312 0.367) 6.635 5.367 ( 2.009 1.160 -5.795) 6.242 5.431 ( 2.162 1.248 -2.043) 3.226 5.743 ( -4.364 -2.520 -0.422) 5.057 5.898 ( -1.543 -0.891 -1.808) 2.539 6.139 ( 8.299 4.791 2.460) 9.893 6.562 ( 5.741 3.315 -5.686) 8.734 6.685 ( -0.848 -0.489 -2.123) 2.337 7.198 ( 1.672 0.965 5.415) 5.748 7.289 ( 4.301 2.483 5.162) 7.163 7.678 ( 8.215 4.743 -7.912) 12.352 9.093 ( -0.271 -0.156 -1.349) 1.384 10.039 ( 4.265 2.462 -0.594) 4.960 11.674 ( -10.315 -5.955 -9.932) 15.508 19.767 ( -1.760 -1.016 0.034) 2.032 19.785 ( 2.206 1.274 -1.641) 3.030 19.902 ( 1.340 0.774 0.148) 1.555 19.987 ( 3.756 2.168 0.178) 4.340 24.988 ( -3.375 -1.948 3.788) 5.435 25.279 ( -1.009 -0.582 -0.591) 1.306 32.530 ( -3.172 -1.831 0.171) 3.666 32.579 ( -1.943 -1.122 -1.234) 2.561 41.933 ( -1.451 -0.838 6.033) 6.262 41.945 ( 6.602 3.812 4.772) 8.994 42.601 ( -2.465 -1.423 -6.742) 7.318 44.864 ( 42.342 24.446 -45.818) 67.006 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 5.835 3.369 30.098) 30.843 2.200 ( 19.926 11.504 6.921) 24.027 3.073 ( 22.327 12.891 1.136) 25.807 3.269 ( 2.276 1.314 -0.380) 2.655 3.488 ( 5.482 3.165 6.131) 8.812 4.100 ( 39.242 22.656 -2.245) 45.368 4.270 ( -5.280 -3.048 5.400) 8.144 4.464 ( -6.026 -3.479 -0.400) 6.970 5.423 ( 4.715 2.722 -1.065) 5.547 5.493 ( 4.501 2.599 -3.394) 6.208 5.606 ( -7.916 -4.571 0.349) 9.148 5.875 ( 1.497 0.864 -4.103) 4.453 6.354 ( 10.315 5.956 0.859) 11.942 6.641 ( 3.663 2.115 -4.198) 5.960 6.695 ( 3.693 2.132 -1.758) 4.612 7.259 ( 1.511 0.872 4.740) 5.051 7.385 ( 1.752 1.012 6.099) 6.426 7.867 ( 12.722 7.345 -8.965) 17.209 9.088 ( 0.326 0.188 -0.594) 0.704 9.990 ( -7.587 -4.381 3.691) 9.507 11.374 ( -13.092 -7.558 -10.484) 18.397 19.734 ( -1.302 -0.752 -0.053) 1.504 19.849 ( 4.351 2.512 -1.956) 5.392 19.923 ( 0.553 0.319 0.325) 0.717 20.069 ( 3.642 2.103 0.052) 4.205 24.951 ( -1.798 -1.038 2.910) 3.575 25.255 ( -0.877 -0.506 -0.878) 1.340 32.463 ( -3.044 -1.758 0.122) 3.517 32.532 ( -1.737 -1.003 -1.509) 2.510 41.896 ( -3.763 -2.172 2.218) 4.878 42.137 ( 8.026 4.634 7.501) 11.923 42.544 ( -0.648 -0.374 -2.674) 2.777 45.362 ( 23.984 13.847 -33.881) 43.759 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 3.267 1.886 26.090) 26.361 2.596 ( 14.267 8.237 5.896) 17.497 3.250 ( -1.156 -0.668 -1.385) 1.924 3.507 ( -4.618 -2.666 1.533) 5.549 3.525 ( 17.116 9.882 -0.021) 19.764 4.232 ( -1.719 -0.992 8.011) 8.253 4.383 ( 0.339 0.196 0.107) 0.406 4.790 ( 24.301 14.030 -4.595) 28.434 5.359 ( -11.969 -6.910 -5.016) 14.703 5.529 ( 3.918 2.262 3.357) 5.634 5.635 ( 6.996 4.039 0.994) 8.139 5.943 ( 5.873 3.391 -3.176) 7.488 6.529 ( 3.649 2.107 -1.518) 4.478 6.714 ( 6.575 3.796 -1.862) 7.818 6.849 ( 11.661 6.733 -3.756) 13.979 7.295 ( -0.393 -0.227 3.739) 3.766 7.415 ( -1.541 -0.890 5.863) 6.127 8.135 ( 16.326 9.426 -7.712) 20.368 9.101 ( 0.855 0.494 0.576) 1.143 9.802 ( -10.684 -6.168 2.235) 12.538 11.021 ( -15.011 -8.667 -8.306) 19.221 19.711 ( -0.789 -0.456 -0.240) 0.942 19.930 ( -0.083 -0.048 0.509) 0.518 19.945 ( 5.260 3.037 -1.715) 6.311 20.136 ( 2.465 1.423 -0.002) 2.846 24.932 ( -1.148 -0.663 2.137) 2.515 25.235 ( -0.486 -0.280 -0.869) 1.035 32.406 ( -2.316 -1.337 0.272) 2.689 32.494 ( -1.130 -0.652 -1.354) 1.880 41.805 ( -4.338 -2.504 -2.543) 5.618 42.339 ( 6.333 3.656 10.247) 12.589 42.545 ( 0.631 0.364 2.420) 2.527 45.628 ( 14.763 8.523 -24.556) 29.893 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -2.483 -1.434 22.039) 22.224 2.865 ( 7.646 4.415 6.253) 10.819 3.243 ( 0.823 0.475 0.007) 0.950 3.362 ( -6.954 -4.015 -2.477) 8.403 3.736 ( 4.398 2.539 -3.121) 5.961 4.262 ( 0.247 0.143 9.798) 9.802 4.536 ( 12.519 7.228 1.462) 14.529 5.026 ( -16.390 -9.463 -6.397) 19.977 5.104 ( 8.548 4.935 -4.752) 10.954 5.622 ( 2.576 1.487 5.159) 5.955 5.812 ( 8.252 4.764 2.482) 9.846 6.041 ( 3.421 1.975 -0.957) 4.065 6.500 ( -3.196 -1.845 -3.609) 5.161 6.892 ( 8.581 4.954 -1.042) 9.963 7.082 ( 9.628 5.559 -7.149) 13.218 7.270 ( -3.349 -1.934 3.026) 4.910 7.401 ( -1.140 -0.658 4.444) 4.635 8.511 ( 21.381 12.344 -4.969) 25.183 9.128 ( 1.053 0.608 1.765) 2.143 9.552 ( -13.503 -7.796 0.492) 15.600 10.688 ( -11.510 -6.645 -7.049) 15.044 19.696 ( -0.477 -0.275 -0.495) 0.741 19.928 ( -0.268 -0.155 0.667) 0.736 20.048 ( 4.732 2.732 -1.082) 5.570 20.169 ( 0.521 0.301 -0.076) 0.606 24.919 ( -0.942 -0.544 1.514) 1.864 25.227 ( 0.026 0.015 -0.647) 0.647 32.369 ( -1.227 -0.708 0.424) 1.479 32.473 ( -0.262 -0.151 -0.951) 0.998 41.699 ( -3.454 -1.994 -5.595) 6.871 42.493 ( 2.733 1.578 12.206) 12.607 42.588 ( 1.446 0.835 5.796) 6.031 45.786 ( 10.128 5.847 -18.578) 21.953 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -11.784 -6.804 18.240) 22.756 2.961 ( -1.657 -0.957 6.015) 6.312 3.199 ( -3.073 -1.774 -2.701) 4.459 3.332 ( 4.121 2.379 0.569) 4.793 3.789 ( 2.935 1.695 -1.946) 3.909 4.315 ( -0.728 -0.420 10.782) 10.815 4.606 ( -18.525 -10.695 -8.675) 23.083 4.838 ( 13.524 7.808 0.447) 15.622 5.185 ( 2.545 1.469 -4.926) 5.736 5.658 ( -2.383 -1.376 6.298) 6.873 5.976 ( 3.520 2.032 6.237) 7.444 6.090 ( 1.825 1.054 0.434) 2.151 6.413 ( -1.253 -0.724 -6.566) 6.724 6.992 ( -0.814 -0.470 -2.522) 2.691 7.128 ( -1.600 -0.924 -8.188) 8.394 7.223 ( -0.329 -0.190 3.871) 3.890 7.420 ( 0.654 0.378 2.088) 2.220 8.891 ( 6.239 3.602 -2.236) 7.543 9.159 ( 0.783 0.452 2.560) 2.714 9.303 ( -1.448 -0.836 0.114) 1.676 10.502 ( -1.791 -1.034 -8.046) 8.307 19.684 ( -0.378 -0.218 -0.737) 0.857 19.927 ( -0.025 -0.014 0.745) 0.746 20.126 ( 2.130 1.230 -0.217) 2.469 20.159 ( -0.792 -0.457 -0.352) 0.980 24.906 ( -0.871 -0.503 1.092) 1.485 25.230 ( 0.472 0.273 -0.406) 0.680 32.358 ( -0.014 -0.008 0.519) 0.519 32.474 ( 0.699 0.404 -0.632) 1.025 41.610 ( -1.880 -1.085 -6.817) 7.154 42.568 ( -1.507 -0.870 13.297) 13.410 42.659 ( 2.106 1.216 7.239) 7.637 45.896 ( 7.847 4.531 -15.481) 17.938 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -18.725 -10.811 15.434) 26.565 2.867 ( -9.112 -5.261 5.943) 12.084 3.171 ( 1.247 0.720 -2.190) 2.621 3.448 ( 5.176 2.989 2.826) 6.611 3.763 ( -9.993 -5.770 -2.013) 11.714 4.247 ( -6.139 -3.544 -6.416) 9.561 4.296 ( -6.075 -3.507 8.481) 11.006 5.100 ( 11.079 6.397 -1.718) 12.908 5.201 ( 1.179 0.681 -3.616) 3.864 5.570 ( -8.560 -4.942 5.764) 11.442 5.968 ( -6.371 -3.679 5.390) 9.120 6.138 ( 2.046 1.181 1.835) 2.992 6.422 ( 3.803 2.196 -6.529) 7.868 6.852 ( -8.461 -4.885 -2.313) 10.040 6.939 ( -12.104 -6.988 -8.545) 16.382 7.282 ( 2.063 1.191 3.909) 4.577 7.439 ( 0.107 0.062 3.434) 3.436 8.652 ( -16.479 -9.514 -2.160) 19.150 9.184 ( 0.244 0.141 2.746) 2.761 9.571 ( 14.819 8.556 1.703) 17.196 10.556 ( 11.442 6.606 -10.723) 17.016 19.674 ( -0.133 -0.077 -0.883) 0.896 19.933 ( 0.191 0.110 0.709) 0.743 20.094 ( -3.262 -1.883 -0.287) 3.777 20.173 ( 0.404 0.233 0.084) 0.474 24.893 ( -0.768 -0.443 0.958) 1.305 25.242 ( 0.761 0.439 -0.304) 0.930 32.373 ( 1.157 0.668 0.529) 1.437 32.496 ( 1.540 0.889 -0.613) 1.881 41.556 ( -0.054 -0.031 -6.728) 6.728 42.556 ( -5.566 -3.214 13.678) 15.113 42.744 ( 2.458 1.419 7.205) 7.744 45.977 ( 6.625 3.825 -15.297) 17.103 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -20.587 -11.886 16.297) 28.822 2.638 ( -15.580 -8.995 7.266) 19.402 3.208 ( 2.546 1.470 -1.976) 3.542 3.335 ( -22.872 -13.205 -5.779) 27.035 3.542 ( -0.002 -0.001 6.028) 6.028 4.123 ( -11.485 -6.631 1.402) 13.335 4.288 ( 6.942 4.008 -0.733) 8.050 5.141 ( -13.704 -7.912 6.182) 16.989 5.303 ( 8.891 5.133 -2.010) 10.462 5.384 ( -5.039 -2.910 0.164) 5.821 5.815 ( -8.073 -4.661 0.078) 9.322 6.166 ( -1.647 -0.951 1.948) 2.722 6.393 ( -6.228 -3.596 -3.870) 8.167 6.618 ( -9.870 -5.698 -8.604) 14.280 6.714 ( -1.728 -0.998 -1.906) 2.759 7.313 ( -1.260 -0.728 4.327) 4.565 7.448 ( -1.960 -1.131 6.535) 6.915 8.321 ( -12.521 -7.229 -4.312) 15.087 9.196 ( -0.253 -0.146 2.372) 2.390 9.827 ( 8.556 4.940 4.542) 10.873 10.861 ( 20.689 11.945 -13.579) 27.479 19.673 ( 0.484 0.280 -0.930) 1.085 19.940 ( 0.018 0.010 0.608) 0.608 20.012 ( -3.985 -2.301 -0.524) 4.631 20.155 ( -2.167 -1.251 0.348) 2.527 24.884 ( -0.557 -0.322 1.203) 1.364 25.258 ( 0.894 0.516 -0.361) 1.094 32.411 ( 2.158 1.246 0.430) 2.529 32.531 ( 2.024 1.168 -0.903) 2.505 41.545 ( 1.755 1.013 -5.709) 6.058 42.464 ( -8.933 -5.157 13.326) 16.852 42.827 ( 2.203 1.272 6.058) 6.570 46.025 ( 5.188 2.995 -19.178) 20.092 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -0.000 28.981 13.720) 32.065 1.338 ( -0.000 28.718 19.757) 34.858 1.926 ( 0.000 29.569 30.574) 42.533 2.395 ( -0.000 10.391 1.251) 10.466 2.556 ( -0.000 29.002 -0.244) 29.003 3.652 ( 0.000 -0.135 1.007) 1.016 4.695 ( 0.000 -3.366 0.935) 3.494 4.878 ( 0.000 -28.857 0.735) 28.866 5.322 ( -0.000 -2.354 -7.237) 7.610 5.448 ( -0.000 3.534 -2.959) 4.609 5.779 ( 0.000 -3.134 0.654) 3.202 5.899 ( 0.000 1.937 5.088) 5.444 5.992 ( 0.000 -0.985 0.562) 1.134 6.509 ( -0.000 5.970 -5.218) 7.929 6.546 ( -0.000 4.313 -10.622) 11.465 7.202 ( 0.000 3.143 4.962) 5.874 7.238 ( -0.000 9.929 4.848) 11.049 7.629 ( 0.000 -7.381 0.157) 7.383 9.154 ( -0.000 1.662 -0.946) 1.912 9.654 ( -0.000 37.413 -10.591) 38.883 11.829 ( 0.000 -20.536 -1.497) 20.590 19.755 ( 0.000 -2.733 -0.409) 2.763 19.823 ( -0.000 0.177 -0.728) 0.749 19.885 ( -0.000 4.033 0.273) 4.042 19.898 ( -0.000 1.895 0.252) 1.912 25.085 ( 0.000 -5.809 2.325) 6.257 25.303 ( 0.000 -1.421 0.138) 1.427 32.593 ( 0.000 -2.823 0.462) 2.860 32.622 ( 0.000 -2.411 -0.506) 2.464 41.767 ( 0.000 -6.452 3.360) 7.275 42.038 ( -0.000 12.957 7.830) 15.139 42.842 ( -0.000 4.107 -4.161) 5.846 43.497 ( -0.000 62.938 -40.235) 74.700 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 12.951 24.843 13.645) 31.163 1.739 ( 11.469 14.530 24.655) 30.830 2.459 ( 12.490 22.757 8.643) 27.360 2.721 ( 22.912 30.494 4.216) 38.375 2.929 ( 10.156 24.106 2.562) 26.283 3.661 ( -2.077 6.853 2.722) 7.660 4.558 ( -10.375 -13.000 1.605) 16.710 4.647 ( -3.101 -3.741 0.621) 4.899 5.287 ( 2.292 -1.515 -6.571) 7.122 5.449 ( -0.799 2.978 -2.401) 3.908 5.751 ( -0.926 -4.645 -0.905) 4.823 5.945 ( -1.534 3.493 3.303) 5.047 6.016 ( 5.775 -2.501 0.722) 6.335 6.496 ( 1.865 2.766 -6.286) 7.116 6.617 ( 5.131 -0.327 -4.752) 7.001 7.283 ( 2.909 3.958 4.612) 6.737 7.335 ( -4.259 12.301 5.182) 14.011 7.593 ( 2.725 2.044 -5.206) 6.221 9.129 ( -3.125 2.481 -1.045) 4.124 10.005 ( 7.618 17.645 -4.959) 19.849 11.580 ( -1.626 -23.966 -5.843) 24.721 19.742 ( 1.564 -1.729 -0.518) 2.388 19.803 ( -2.025 0.988 -0.817) 2.396 19.920 ( -0.302 4.080 0.062) 4.092 19.948 ( 2.953 1.860 0.292) 3.502 25.028 ( -2.299 -3.673 3.119) 5.339 25.283 ( -0.698 -1.203 -0.335) 1.430 32.550 ( -1.808 -3.107 0.247) 3.603 32.585 ( -1.220 -2.252 -0.877) 2.707 41.786 ( 7.798 -6.717 3.758) 10.957 42.144 ( -8.110 14.089 8.166) 18.192 42.731 ( -10.140 8.708 -5.152) 14.325 44.225 ( 39.676 36.755 -43.725) 69.548 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 7.646 6.282 22.959) 25.001 2.247 ( 10.376 27.252 14.449) 32.543 2.890 ( 17.578 18.297 1.238) 25.403 3.214 ( 6.486 4.022 0.614) 7.657 3.398 ( 18.064 12.995 3.965) 22.603 3.883 ( 14.868 26.484 2.680) 30.490 4.365 ( -6.479 -0.420 3.074) 7.183 4.550 ( -6.243 -1.200 -0.291) 6.364 5.320 ( 6.286 0.103 -3.500) 7.196 5.475 ( 1.687 4.480 -3.735) 6.072 5.645 ( -4.311 -6.125 -2.217) 7.812 5.940 ( -5.373 6.574 0.184) 8.492 6.136 ( 13.016 -6.299 1.376) 14.526 6.544 ( 5.899 -0.572 -4.787) 7.618 6.687 ( 3.491 5.311 -2.171) 6.716 7.364 ( -4.073 6.318 6.331) 9.828 7.405 ( 1.058 6.217 3.919) 7.425 7.712 ( 9.650 7.518 -8.482) 14.886 9.108 ( -1.675 2.334 -0.373) 2.897 10.100 ( -5.497 1.811 2.757) 6.411 11.297 ( -1.892 -22.262 -10.731) 24.785 19.755 ( -0.175 -0.286 -0.281) 0.438 19.795 ( 1.872 1.643 -1.500) 2.907 19.946 ( -0.965 3.410 0.264) 3.554 20.022 ( 3.945 1.417 0.177) 4.196 24.983 ( -1.892 -1.844 2.870) 3.901 25.258 ( -0.794 -0.947 -0.755) 1.448 32.488 ( -2.437 -2.603 0.112) 3.568 32.537 ( -1.441 -2.005 -1.243) 2.764 41.915 ( 11.943 -5.874 5.486) 14.396 42.108 ( -11.277 8.202 1.865) 14.069 42.696 ( -6.593 13.684 1.638) 15.278 44.859 ( 32.360 16.548 -37.092) 51.931 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 6.112 2.476 22.763) 23.699 2.662 ( 3.832 25.307 10.291) 27.587 3.185 ( 3.890 -0.748 -2.798) 4.849 3.456 ( 13.897 19.266 2.358) 23.872 3.545 ( -1.018 -1.700 3.156) 3.726 4.282 ( -1.494 -1.613 6.685) 7.037 4.445 ( -1.723 5.368 -0.765) 5.690 4.535 ( 18.780 19.380 -3.776) 27.249 5.442 ( 0.880 -4.940 -1.622) 5.274 5.448 ( 0.527 2.220 -3.479) 4.161 5.606 ( 3.976 5.194 0.708) 6.580 5.917 ( -2.654 4.835 -2.170) 5.927 6.340 ( 18.099 -3.175 0.221) 18.376 6.618 ( 4.698 -0.232 -2.625) 5.387 6.806 ( 4.065 10.143 -2.705) 11.257 7.362 ( -4.132 2.412 4.230) 6.386 7.477 ( -0.887 3.423 5.032) 6.150 7.941 ( 13.785 9.766 -8.283) 18.815 9.114 ( -0.504 2.217 0.785) 2.405 9.948 ( -11.897 -4.313 3.520) 13.135 10.994 ( -4.562 -21.061 -10.462) 23.955 19.736 ( -1.812 1.017 -0.412) 2.118 19.869 ( 5.415 1.611 -1.512) 5.849 19.956 ( -1.365 2.492 0.493) 2.884 20.096 ( 3.631 0.728 0.092) 3.704 24.957 ( -1.386 -0.989 2.278) 2.844 25.235 ( -0.533 -0.599 -0.887) 1.195 32.429 ( -2.279 -1.962 0.275) 3.020 32.494 ( -1.009 -1.561 -1.340) 2.291 41.954 ( -12.221 8.231 -3.202) 15.078 42.130 ( 15.200 -8.803 6.855) 18.856 42.749 ( -7.457 15.053 8.314) 18.743 45.247 ( 23.677 5.949 -28.673) 37.658 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 1.649 0.201 20.917) 20.983 2.947 ( 0.423 18.511 8.566) 20.401 3.202 ( 2.278 -0.239 -1.268) 2.618 3.407 ( -7.234 -7.209 -0.934) 10.256 3.829 ( 1.900 21.220 -2.004) 21.399 4.258 ( 1.202 -3.372 8.548) 9.267 4.511 ( 2.913 10.205 1.463) 10.713 4.880 ( 9.390 -1.817 -4.770) 10.687 5.273 ( -8.596 3.532 -4.717) 10.422 5.568 ( 5.105 2.110 0.489) 5.546 5.751 ( 6.206 5.037 3.226) 8.619 5.938 ( 4.584 -1.863 -2.409) 5.503 6.571 ( -1.383 5.761 -0.708) 5.967 6.704 ( 16.309 -1.544 -0.909) 16.407 6.973 ( 6.732 8.930 -5.253) 12.356 7.321 ( -2.979 -1.907 2.654) 4.422 7.486 ( -4.510 3.363 4.216) 7.031 8.269 ( 18.924 12.214 -6.061) 23.325 9.137 ( 0.201 1.741 1.887) 2.575 9.704 ( -13.470 -6.574 1.199) 15.037 10.671 ( -5.730 -19.069 -8.418) 21.618 19.716 ( -1.630 1.344 -0.550) 2.182 19.948 ( -0.196 1.383 0.211) 1.413 19.978 ( 4.706 1.903 -0.676) 5.121 20.146 ( 2.184 -0.302 -0.010) 2.205 24.939 ( -1.149 -0.670 1.686) 2.148 25.223 ( -0.063 -0.203 -0.745) 0.774 32.384 ( -1.557 -1.244 0.467) 2.047 32.466 ( -0.210 -1.079 -1.094) 1.551 41.811 ( -10.619 7.026 -6.589) 14.337 42.339 ( 13.758 -6.171 9.280) 17.705 42.794 ( -8.520 11.417 11.532) 18.328 45.485 ( 18.041 0.637 -22.214) 28.624 ======================= Grid point 339 (119/189) ======================= q-point: ( 0.67 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -7.327 -3.313 19.451) 21.048 3.089 ( -3.484 8.769 7.372) 11.974 3.217 ( -5.609 -4.939 -2.862) 8.003 3.254 ( 3.373 1.046 -0.348) 3.548 3.938 ( -6.173 20.405 -3.307) 21.573 4.316 ( 1.476 -5.066 9.788) 11.120 4.681 ( 0.828 0.564 -7.434) 7.502 4.802 ( -1.495 2.171 3.311) 4.232 5.219 ( -4.026 6.827 -4.630) 9.179 5.658 ( 3.340 0.146 1.709) 3.755 5.894 ( 6.825 -4.568 4.327) 9.283 6.009 ( 6.292 1.489 -0.383) 6.477 6.499 ( -7.691 3.047 -1.429) 8.395 6.937 ( 7.598 1.705 -2.313) 8.123 7.083 ( 2.977 2.032 -7.663) 8.469 7.282 ( -1.687 1.166 3.078) 3.698 7.453 ( -3.945 2.535 2.214) 5.186 8.697 ( 20.673 10.671 -3.293) 23.497 9.172 ( 0.942 1.848 2.655) 3.370 9.407 ( -13.803 -7.549 -0.250) 15.734 10.416 ( -0.971 -13.917 -7.822) 15.994 19.702 ( -1.442 1.462 -0.687) 2.166 19.948 ( -1.110 1.448 0.695) 1.952 20.072 ( 4.854 0.559 -0.450) 4.907 20.157 ( 0.165 -1.334 -0.239) 1.365 24.922 ( -1.036 -0.566 1.251) 1.720 25.222 ( 0.397 0.114 -0.523) 0.666 32.362 ( -0.509 -0.549 0.580) 0.947 32.458 ( 0.739 -0.600 -0.800) 1.244 41.689 ( -8.241 7.089 -7.522) 13.219 42.534 ( 9.294 -2.967 10.990) 14.695 42.794 ( -8.025 5.412 11.870) 15.317 45.643 ( 14.573 -1.530 -18.376) 23.503 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -17.686 -8.051 17.132) 25.906 3.074 ( -9.176 4.778 6.249) 12.087 3.135 ( -0.694 -0.791 -1.717) 2.014 3.334 ( 6.620 -1.099 0.685) 6.745 4.017 ( -11.802 18.015 -0.590) 21.545 4.181 ( -4.958 -13.561 -1.042) 14.476 4.526 ( -9.743 3.136 3.893) 10.951 5.006 ( 8.456 9.363 0.085) 12.616 5.195 ( -0.608 2.152 -5.145) 5.610 5.661 ( -3.931 -1.414 3.171) 5.244 5.920 ( 3.815 -10.598 2.221) 11.480 6.124 ( 3.279 0.708 3.660) 4.964 6.436 ( -2.704 6.531 -3.382) 7.836 6.869 ( -7.998 -10.629 -4.261) 13.968 7.041 ( -4.690 0.798 -6.488) 8.046 7.324 ( -1.513 5.546 4.082) 7.051 7.460 ( 0.789 3.150 1.379) 3.528 8.798 ( -11.583 -8.397 -2.335) 14.496 9.187 ( 0.029 -0.837 2.326) 2.473 9.424 ( 15.124 11.695 0.647) 19.129 10.332 ( 8.976 -7.739 -9.164) 14.981 19.691 ( -1.296 1.745 -0.757) 2.301 19.950 ( -0.793 1.488 0.679) 1.818 20.110 ( -0.787 -2.297 -0.126) 2.432 20.145 ( 1.754 -0.978 -0.346) 2.038 24.907 ( -0.893 -0.504 1.090) 1.497 25.231 ( 0.720 0.292 -0.414) 0.881 32.363 ( 0.662 0.002 0.602) 0.894 32.470 ( 1.633 -0.092 -0.746) 1.797 41.608 ( -5.809 7.537 -7.202) 11.934 42.649 ( -1.072 -4.797 15.331) 16.099 42.785 ( -1.361 3.322 7.306) 8.140 45.756 ( 11.984 -1.501 -17.385) 21.169 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -21.080 -10.093 16.796) 28.781 2.939 ( -17.613 5.772 7.836) 20.123 3.154 ( 3.580 -0.365 -1.687) 3.974 3.432 ( 4.740 -4.106 2.478) 6.743 3.639 ( -22.611 -10.536 -3.599) 25.203 4.230 ( -1.489 9.895 2.254) 10.257 4.399 ( -11.464 3.912 2.738) 12.418 5.175 ( 3.397 2.875 -0.188) 4.454 5.225 ( 5.851 1.647 -4.752) 7.716 5.540 ( -12.451 0.304 5.092) 13.456 5.843 ( -2.450 -8.713 -0.391) 9.060 6.157 ( 0.903 -2.619 1.971) 3.400 6.480 ( -2.303 7.073 -2.760) 7.934 6.525 ( -9.171 -20.111 -4.647) 22.587 6.900 ( -11.014 4.210 -4.496) 12.620 7.348 ( -1.105 0.856 3.164) 3.459 7.512 ( -1.350 3.020 4.950) 5.954 8.457 ( -15.218 -7.291 -4.356) 17.427 9.198 ( 0.551 -1.181 1.983) 2.373 9.764 ( 10.149 9.242 3.674) 14.209 10.502 ( 22.637 0.429 -11.994) 25.622 19.688 ( -0.986 2.369 -0.752) 2.674 19.953 ( -0.776 1.022 0.407) 1.346 20.047 ( -3.194 -2.270 -0.492) 3.950 20.150 ( 0.328 -2.730 0.113) 2.752 24.896 ( -0.637 -0.415 1.271) 1.481 25.246 ( 0.904 0.346 -0.468) 1.075 32.388 ( 1.823 0.367 0.520) 1.931 32.499 ( 2.229 0.364 -1.004) 2.471 41.575 ( -3.402 8.106 -6.015) 10.652 42.571 ( -6.501 -10.628 15.085) 19.565 42.866 ( 0.996 4.125 5.499) 6.946 45.830 ( 8.835 0.057 -19.886) 21.760 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -0.000 32.870 8.106) 33.855 1.906 ( 0.000 12.691 25.857) 28.804 2.664 ( -0.000 15.625 2.813) 15.876 2.818 ( -0.000 40.713 10.735) 42.105 3.086 ( -0.000 17.087 -1.000) 17.116 3.816 ( -0.000 17.624 5.234) 18.385 4.578 ( 0.000 -1.325 -0.147) 1.334 4.604 ( 0.000 -6.796 -0.002) 6.796 5.231 ( -0.000 0.603 -6.828) 6.855 5.435 ( 0.000 -4.058 -2.969) 5.028 5.697 ( 0.000 -6.496 1.947) 6.781 5.956 ( -0.000 -0.823 -0.739) 1.106 6.046 ( -0.000 8.667 3.777) 9.454 6.443 ( -0.000 -3.889 -6.368) 7.461 6.572 ( -0.000 4.890 -3.835) 6.215 7.316 ( -0.000 4.389 3.308) 5.496 7.508 ( -0.000 13.553 -0.685) 13.570 7.581 ( -0.000 3.291 -0.336) 3.308 9.178 ( -0.000 1.880 -1.112) 2.184 10.108 ( -0.000 19.954 -5.111) 20.598 11.293 ( 0.000 -32.790 -3.172) 32.943 19.707 ( 0.000 -2.175 0.055) 2.176 19.831 ( -0.000 1.856 -1.323) 2.280 19.931 ( -0.000 1.392 0.131) 1.398 19.979 ( -0.000 5.478 -0.032) 5.478 25.024 ( 0.000 -3.466 2.702) 4.394 25.274 ( 0.000 -1.500 -0.412) 1.555 32.534 ( 0.000 -3.458 0.142) 3.461 32.566 ( 0.000 -2.860 -0.839) 2.980 41.665 ( 0.000 -7.496 3.102) 8.112 42.444 ( -0.000 19.496 12.209) 23.004 42.876 ( -0.000 3.423 -3.817) 5.127 44.035 ( -0.000 40.016 -43.374) 59.013 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -0.604 13.097 20.220) 24.099 2.315 ( 17.777 27.226 10.120) 34.055 2.912 ( 8.130 20.040 5.286) 22.263 3.177 ( 2.011 4.188 -2.735) 5.391 3.327 ( 11.187 26.955 6.153) 29.826 3.986 ( 1.154 11.325 4.625) 12.288 4.499 ( -3.732 2.154 -0.761) 4.375 4.647 ( -4.401 12.761 0.412) 13.505 5.230 ( 3.084 1.926 -3.880) 5.318 5.423 ( 5.960 -1.176 -4.833) 7.763 5.630 ( -2.289 -6.834 -1.201) 7.307 5.952 ( 2.146 -3.239 0.653) 3.939 6.115 ( -4.704 9.671 2.661) 11.078 6.420 ( 4.447 -2.264 -3.758) 6.247 6.647 ( 5.601 4.825 -2.316) 7.747 7.393 ( 2.543 3.093 3.145) 5.091 7.605 ( -5.929 9.859 4.475) 12.345 7.629 ( 4.900 9.333 -8.020) 13.246 9.167 ( -2.330 2.473 -0.763) 3.482 10.223 ( -2.976 7.563 0.585) 8.149 10.980 ( 2.285 -32.157 -6.485) 32.884 19.710 ( 2.367 -1.448 0.068) 2.775 19.827 ( -1.859 2.748 -1.413) 3.606 19.970 ( 2.717 1.284 -0.123) 3.008 20.017 ( -1.205 4.825 0.145) 4.975 25.000 ( -0.998 -2.227 2.457) 3.463 25.254 ( -0.441 -1.317 -0.682) 1.548 32.493 ( -1.268 -2.924 0.077) 3.188 32.528 ( -0.798 -2.777 -1.026) 3.066 41.684 ( 8.826 -7.610 3.760) 12.245 42.492 ( -18.404 14.515 2.911) 23.619 42.916 ( -0.442 12.251 5.264) 13.341 44.381 ( 23.776 23.045 -37.003) 49.655 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 1.721 8.403 18.469) 20.364 2.865 ( 11.054 24.201 8.403) 27.901 3.169 ( 0.168 7.264 -1.792) 7.484 3.376 ( 17.141 16.669 6.367) 24.743 3.561 ( -1.124 0.656 2.158) 2.520 4.218 ( 11.846 9.540 4.728) 15.928 4.521 ( 2.623 4.118 -1.726) 5.179 4.615 ( -10.666 13.058 -4.022) 17.334 5.338 ( 4.425 -0.151 -0.248) 4.435 5.475 ( -2.556 1.135 -4.022) 4.899 5.593 ( 5.966 9.394 -3.276) 11.600 5.998 ( 9.894 -6.960 0.047) 12.097 6.102 ( -5.775 7.091 2.176) 9.401 6.515 ( 7.574 3.130 -1.765) 8.384 6.802 ( 6.810 6.945 -0.943) 9.772 7.441 ( -1.178 -1.957 3.926) 4.542 7.591 ( -5.498 7.467 2.087) 9.504 7.813 ( 9.527 12.538 -7.967) 17.648 9.159 ( -1.480 2.741 0.475) 3.151 10.132 ( -11.819 -2.454 4.532) 12.894 10.710 ( 3.386 -28.618 -9.467) 30.333 19.746 ( 2.404 -0.561 0.023) 2.468 19.827 ( -0.017 3.395 -1.477) 3.703 20.014 ( -0.719 2.962 -0.163) 3.052 20.047 ( 2.088 1.407 0.378) 2.546 24.977 ( -1.146 -1.302 2.033) 2.673 25.232 ( -0.436 -0.890 -0.821) 1.287 32.444 ( -1.809 -2.191 0.281) 2.855 32.485 ( -0.830 -2.267 -1.213) 2.701 41.830 ( 14.756 -7.905 5.208) 17.532 42.294 ( -18.656 13.030 -4.925) 23.282 43.057 ( -5.229 15.017 12.905) 20.479 44.765 ( 24.553 8.643 -29.371) 39.246 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 2.049 4.848 15.841) 16.692 3.106 ( 1.456 4.144 1.919) 4.793 3.285 ( -3.102 18.479 5.639) 19.567 3.449 ( -5.160 -5.748 -0.298) 7.730 3.878 ( 16.351 17.779 5.825) 24.847 4.338 ( -5.779 3.963 1.827) 7.242 4.581 ( 0.797 8.000 -0.357) 8.047 4.723 ( 8.850 6.999 -3.185) 11.724 5.236 ( 0.310 -10.995 -6.463) 12.758 5.590 ( 4.387 12.120 -0.667) 12.907 5.722 ( 2.275 2.906 0.999) 3.824 5.985 ( -8.803 8.591 -1.364) 12.375 6.316 ( 24.266 -1.910 0.651) 24.350 6.648 ( 2.204 5.514 1.249) 6.068 6.957 ( 4.440 7.219 -2.144) 8.742 7.359 ( -4.290 -4.503 1.650) 6.435 7.607 ( -2.664 5.802 1.754) 6.621 8.092 ( 13.972 14.288 -6.011) 20.869 9.170 ( -0.795 2.040 1.671) 2.754 9.884 ( -15.173 -6.220 2.646) 16.610 10.450 ( 1.222 -26.228 -7.961) 27.436 19.756 ( -1.099 1.302 -0.327) 1.734 19.889 ( 4.555 2.145 -1.059) 5.145 20.012 ( -2.254 2.764 0.451) 3.595 20.098 ( 3.027 -0.454 0.008) 3.060 24.958 ( -1.116 -0.865 1.512) 2.069 25.218 ( -0.114 -0.392 -0.713) 0.822 32.400 ( -1.672 -1.442 0.512) 2.266 32.451 ( -0.303 -1.733 -1.122) 2.086 41.992 ( 3.901 -3.981 -0.257) 5.580 42.169 ( -2.811 11.281 -0.240) 11.628 43.124 ( -10.103 11.045 14.809) 21.056 45.048 ( 21.371 0.336 -22.699) 31.179 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -1.469 1.255 14.876) 15.001 3.148 ( 0.512 -1.189 2.221) 2.571 3.220 ( -5.549 -6.058 -4.010) 9.142 3.442 ( -7.908 14.257 7.068) 17.770 4.203 ( -0.289 17.300 -0.120) 17.302 4.329 ( -1.411 6.402 4.910) 8.191 4.642 ( 0.439 1.381 -5.012) 5.217 4.835 ( 2.457 4.407 3.613) 6.205 5.199 ( 7.193 -7.255 -5.460) 11.584 5.696 ( -3.082 4.706 -3.257) 6.500 5.777 ( 3.247 2.237 1.627) 4.266 5.996 ( 0.335 10.068 1.958) 10.262 6.603 ( 2.552 -3.975 1.866) 5.079 6.745 ( 12.043 5.756 -0.667) 13.365 7.021 ( 1.339 -1.498 -5.114) 5.494 7.321 ( 0.352 4.512 1.563) 4.788 7.598 ( -5.995 4.927 1.325) 7.872 8.465 ( 18.437 13.406 -3.800) 23.111 9.189 ( 0.306 1.385 2.426) 2.810 9.568 ( -15.588 -9.146 -0.007) 18.073 10.209 ( 1.456 -21.053 -6.335) 22.033 19.745 ( -1.819 2.049 -0.532) 2.792 19.973 ( 2.875 1.390 -0.388) 3.217 20.011 ( 0.341 1.642 0.550) 1.765 20.127 ( 1.625 -1.539 -0.231) 2.250 24.939 ( -1.059 -0.702 1.085) 1.670 25.215 ( 0.283 0.001 -0.504) 0.578 32.371 ( -1.029 -0.754 0.627) 1.422 32.434 ( 0.541 -1.298 -0.877) 1.658 41.896 ( -10.318 8.715 -7.862) 15.628 42.378 ( 12.654 1.357 8.421) 15.260 43.080 ( -12.702 4.591 13.966) 19.428 45.255 ( 18.496 -3.105 -18.004) 25.998 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -12.769 -5.106 15.028) 20.371 3.048 ( 0.640 -5.358 -3.962) 6.694 3.218 ( 2.473 0.794 2.018) 3.289 3.435 ( -10.150 9.851 5.418) 15.147 4.190 ( -9.668 -6.564 0.012) 11.685 4.372 ( -7.479 20.414 -0.128) 21.742 4.648 ( -0.267 3.071 2.418) 3.918 4.992 ( 5.726 9.303 1.394) 11.012 5.175 ( -0.023 -6.145 -5.192) 8.045 5.666 ( 2.775 -2.491 -3.408) 5.051 5.839 ( -1.440 4.509 1.352) 4.923 6.112 ( 1.044 3.523 5.256) 6.413 6.533 ( -4.459 0.342 1.288) 4.654 6.854 ( -3.368 -9.383 -4.096) 10.778 7.011 ( 5.875 0.094 -5.158) 7.818 7.443 ( 0.748 10.718 4.389) 11.606 7.526 ( -6.340 4.180 -0.882) 7.645 8.790 ( 6.902 1.714 -2.342) 7.487 9.218 ( -4.647 -3.513 2.380) 6.293 9.333 ( 5.098 4.999 -1.096) 7.224 10.064 ( 5.508 -15.429 -6.083) 17.475 19.734 ( -1.731 2.449 -0.581) 3.055 19.988 ( -1.325 2.057 0.535) 2.505 20.063 ( 3.418 -1.193 0.132) 3.623 20.120 ( 0.047 -1.986 -0.571) 2.067 24.922 ( -0.925 -0.624 0.913) 1.442 25.221 ( 0.586 0.208 -0.396) 0.738 32.360 ( -0.090 -0.340 0.630) 0.721 32.437 ( 1.488 -0.752 -0.758) 1.831 41.791 ( -9.375 11.188 -7.926) 16.609 42.613 ( 8.955 -1.139 11.727) 14.799 42.951 ( -11.421 -1.022 10.101) 15.281 45.423 ( 15.921 -2.511 -15.829) 22.591 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -19.566 -9.262 13.462) 25.492 3.068 ( 5.085 -1.298 -1.174) 5.378 3.271 ( -1.197 1.095 6.398) 6.600 3.377 ( -7.737 7.941 2.384) 11.340 3.848 ( -18.738 -12.973 -0.526) 22.797 4.469 ( -5.924 20.356 0.503) 21.206 4.621 ( -10.466 2.648 4.106) 11.550 5.085 ( 2.636 -7.721 -5.593) 9.892 5.160 ( 5.012 6.221 -1.393) 8.109 5.719 ( 5.162 1.249 -0.920) 5.390 5.808 ( -8.261 4.426 1.531) 9.496 6.118 ( -1.013 -4.357 1.801) 4.822 6.486 ( -7.142 -8.247 0.629) 10.928 6.600 ( -6.968 -5.125 -1.838) 8.842 7.031 ( -3.019 3.054 -4.134) 5.961 7.413 ( -5.401 0.898 0.447) 5.493 7.594 ( -0.601 6.908 3.261) 7.662 8.622 ( -14.695 -6.015 -3.524) 16.265 9.175 ( 1.282 -2.003 1.187) 2.658 9.689 ( 15.779 14.739 2.108) 21.694 10.068 ( 17.171 -10.639 -7.948) 21.707 19.731 ( -1.386 2.916 -0.505) 3.268 19.984 ( -1.535 1.170 0.096) 1.933 20.064 ( -1.144 -1.653 -0.043) 2.010 20.108 ( 1.182 -2.648 -0.231) 2.909 24.908 ( -0.676 -0.547 1.052) 1.365 25.232 ( 0.774 0.252 -0.458) 0.934 32.368 ( 1.042 -0.199 0.534) 1.188 32.459 ( 2.205 -0.120 -0.898) 2.384 41.730 ( -7.215 12.236 -6.614) 15.669 42.650 ( -6.885 -12.201 16.070) 21.319 42.892 ( 1.617 1.508 3.113) 3.819 45.570 ( 12.529 1.168 -16.548) 20.789 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 0.000 11.365 21.799) 24.584 2.432 ( -0.000 30.043 3.038) 30.196 2.998 ( -0.000 15.261 5.320) 16.162 3.170 ( -0.000 0.391 -2.770) 2.798 3.585 ( -0.000 28.322 4.548) 28.685 4.064 ( -0.000 6.203 4.917) 7.916 4.463 ( 0.000 -6.847 -1.137) 6.941 4.959 ( -0.000 30.421 -2.827) 30.552 5.205 ( -0.000 1.069 -4.424) 4.552 5.269 ( 0.000 -4.763 -1.898) 5.127 5.604 ( 0.000 -4.017 1.639) 4.339 5.946 ( -0.000 2.132 -4.732) 5.190 6.274 ( -0.000 11.637 3.564) 12.170 6.356 ( 0.000 -1.315 0.876) 1.580 6.603 ( -0.000 1.451 -2.497) 2.888 7.410 ( -0.000 3.023 1.139) 3.230 7.656 ( -0.000 13.306 -7.807) 15.427 7.751 ( -0.000 5.363 3.887) 6.624 9.202 ( -0.000 1.975 -1.437) 2.443 10.314 ( -0.000 5.608 -1.791) 5.887 10.627 ( 0.000 -34.202 -0.812) 34.211 19.677 ( 0.000 -1.339 0.495) 1.428 19.868 ( -0.000 3.740 -1.634) 4.082 19.952 ( -0.000 0.768 0.055) 0.770 20.075 ( -0.000 4.802 -0.286) 4.810 24.999 ( 0.000 -1.892 2.023) 2.770 25.241 ( 0.000 -1.329 -0.720) 1.512 32.477 ( 0.000 -2.544 0.090) 2.546 32.502 ( 0.000 -2.955 -0.995) 3.118 41.559 ( 0.000 -6.999 3.312) 7.743 42.893 ( -0.000 2.385 -3.888) 4.561 42.941 ( -0.000 19.346 11.721) 22.620 44.254 ( -0.000 24.976 -30.969) 39.785 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -4.354 11.332 15.425) 19.629 2.861 ( 15.294 23.286 2.638) 27.984 3.173 ( 2.720 1.324 -1.983) 3.617 3.305 ( 15.181 14.183 7.876) 22.218 3.667 ( -7.742 0.779 -0.644) 7.808 4.260 ( 3.282 21.188 7.948) 22.867 4.450 ( 5.073 -2.656 -1.335) 5.880 4.873 ( -12.976 3.672 -8.416) 15.897 5.283 ( 2.956 -5.442 -1.056) 6.282 5.462 ( 10.324 11.983 -3.855) 16.280 5.577 ( 1.151 8.422 1.630) 8.655 5.909 ( -5.007 1.639 -2.691) 5.915 6.305 ( -5.818 7.602 1.971) 9.774 6.456 ( 5.243 8.406 2.848) 10.309 6.694 ( 9.814 1.128 -0.995) 9.929 7.440 ( 0.376 -0.133 0.808) 0.901 7.743 ( -4.649 1.542 0.432) 4.917 7.801 ( 3.977 16.724 -5.576) 18.072 9.204 ( -1.002 2.184 -0.849) 2.548 10.274 ( -2.230 -7.400 -6.106) 9.849 10.352 ( -1.566 -24.845 5.423) 25.478 19.691 ( 2.540 -0.903 0.501) 2.742 19.880 ( -1.820 4.348 -1.302) 4.890 19.984 ( 2.722 0.617 -0.264) 2.804 20.099 ( -1.771 3.694 -0.124) 4.098 24.987 ( -0.572 -1.368 1.557) 2.151 25.225 ( -0.203 -0.969 -0.715) 1.221 32.449 ( -0.990 -1.941 0.349) 2.207 32.467 ( -0.448 -2.491 -1.146) 2.778 41.588 ( 8.910 -6.614 4.020) 11.802 42.690 ( -18.262 9.499 -5.777) 21.380 43.250 ( 5.110 11.379 10.369) 16.221 44.441 ( 11.894 16.554 -21.962) 29.963 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -2.070 8.491 10.971) 14.026 3.109 ( 1.673 3.243 -0.254) 3.658 3.414 ( 9.624 4.247 -0.379) 10.526 3.488 ( -4.870 3.035 1.068) 5.837 3.766 ( 19.162 13.525 9.402) 25.269 4.461 ( -2.996 10.252 0.148) 10.681 4.545 ( 7.511 0.910 -0.455) 7.580 4.766 ( -2.013 11.783 -2.816) 12.281 5.147 ( -6.362 -11.163 -5.218) 13.867 5.603 ( 6.078 9.858 -1.834) 11.725 5.794 ( -7.457 3.187 -2.185) 8.399 5.912 ( 20.461 2.244 1.645) 20.649 6.289 ( -10.119 14.109 1.741) 17.450 6.656 ( 5.806 9.809 2.341) 11.637 6.873 ( 10.354 -0.098 0.013) 10.355 7.390 ( -4.024 -4.078 0.105) 5.730 7.690 ( -2.165 2.267 -0.884) 3.257 8.042 ( 7.956 18.657 -4.286) 20.731 9.207 ( -0.800 1.638 0.472) 1.883 10.061 ( -8.075 -15.615 -3.057) 17.843 10.140 ( -2.266 -17.978 2.321) 18.269 19.736 ( 3.221 -0.662 0.350) 3.307 19.892 ( -0.921 4.729 -0.988) 4.918 20.033 ( 2.756 0.207 -0.441) 2.798 20.091 ( -2.368 2.184 0.279) 3.233 24.971 ( -0.828 -1.025 1.039) 1.678 25.213 ( -0.094 -0.447 -0.550) 0.715 32.416 ( -1.430 -1.307 0.598) 2.027 32.434 ( -0.414 -1.875 -1.127) 2.227 41.743 ( 14.301 -6.370 5.003) 16.435 42.486 ( -15.687 14.196 -8.241) 22.705 43.396 ( -3.309 5.629 11.181) 12.947 44.679 ( 14.140 7.775 -15.174) 22.151 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -0.921 5.382 8.417) 10.033 3.143 ( -0.710 -1.789 1.643) 2.531 3.231 ( -5.388 -7.835 -4.034) 10.329 3.666 ( -1.788 6.964 3.577) 8.031 4.220 ( 15.167 12.232 9.892) 21.852 4.493 ( -1.998 14.181 -5.658) 15.398 4.655 ( 1.047 2.809 -0.551) 3.048 4.855 ( -1.140 -0.910 0.111) 1.463 4.962 ( 4.239 -3.946 -4.690) 7.452 5.698 ( -3.122 -2.029 -1.863) 4.163 5.805 ( 6.417 9.223 0.238) 11.238 6.246 ( -0.408 9.119 0.905) 9.172 6.296 ( 11.225 8.214 0.484) 13.918 6.785 ( -1.183 3.892 3.487) 5.358 6.937 ( 1.873 -8.076 -2.748) 8.734 7.362 ( 2.503 6.744 0.173) 7.195 7.695 ( -0.927 2.526 -0.685) 2.777 8.350 ( 11.147 17.390 -2.743) 20.838 9.211 ( -0.533 0.717 1.547) 1.787 9.713 ( -14.024 -16.596 -0.824) 21.743 9.972 ( 0.183 -15.494 -1.302) 15.549 19.769 ( 0.857 0.280 0.007) 0.901 19.935 ( 1.843 3.607 -0.568) 4.090 20.058 ( -1.340 1.512 0.240) 2.034 20.082 ( 1.229 -1.063 -0.097) 1.628 24.952 ( -0.904 -0.864 0.617) 1.395 25.209 ( 0.161 -0.009 -0.326) 0.364 32.387 ( -1.377 -0.551 0.680) 1.632 32.410 ( 0.137 -1.545 -0.909) 1.798 41.927 ( 9.723 -3.654 2.585) 10.704 42.401 ( -6.448 15.200 -5.063) 17.270 43.359 ( -9.921 -1.147 10.280) 14.333 44.894 ( 14.390 2.894 -10.756) 18.197 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -5.965 -0.687 10.661) 12.236 2.972 ( -2.650 -9.070 -6.127) 11.261 3.218 ( 0.588 2.402 0.800) 2.599 3.637 ( -5.363 0.584 3.607) 6.489 4.408 ( -17.361 3.970 1.158) 17.846 4.553 ( 4.239 6.812 4.957) 9.431 4.671 ( 3.119 10.390 -0.892) 10.885 4.915 ( 11.789 -2.848 -6.861) 13.934 5.045 ( 4.019 0.615 0.048) 4.066 5.631 ( -2.467 -1.307 0.118) 2.794 5.928 ( 0.324 5.213 -1.284) 5.379 6.275 ( -7.581 15.745 3.619) 17.846 6.547 ( 5.623 -2.846 1.476) 6.473 6.747 ( 2.661 -7.435 -2.345) 8.237 6.877 ( 2.817 -3.459 -2.642) 5.185 7.536 ( 3.839 12.967 2.213) 13.704 7.664 ( -5.326 1.107 -0.798) 5.498 8.669 ( 11.529 11.081 -1.831) 16.096 9.236 ( 1.606 0.525 3.051) 3.488 9.351 ( -9.958 -11.479 -2.782) 15.449 9.848 ( 1.493 -11.884 -2.079) 12.156 19.775 ( -0.840 1.452 -0.272) 1.700 19.999 ( 2.718 1.598 -0.081) 3.154 20.041 ( -1.765 0.740 0.632) 2.016 20.091 ( 1.142 -1.650 -0.533) 2.076 24.933 ( -0.831 -0.773 0.457) 1.224 25.213 ( 0.386 0.223 -0.218) 0.496 32.367 ( -0.917 -0.398 0.581) 1.156 32.405 ( 1.040 -0.797 -0.658) 1.466 41.974 ( -3.565 6.244 -4.468) 8.465 42.521 ( 6.949 5.956 4.590) 10.239 43.169 ( -13.225 -7.804 7.660) 17.161 45.103 ( 14.348 2.933 -8.964) 17.171 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -15.611 -10.364 8.071) 20.402 2.964 ( 5.570 -0.030 -1.728) 5.832 3.250 ( 1.036 0.601 1.722) 2.097 3.579 ( -4.194 -0.319 3.363) 5.385 4.096 ( -20.449 -2.227 2.469) 20.717 4.644 ( -1.538 4.411 3.977) 6.135 4.821 ( 0.507 11.089 0.270) 11.103 4.996 ( -3.019 -4.575 -3.834) 6.689 5.065 ( 7.662 -1.166 -6.928) 10.396 5.645 ( 2.538 3.148 4.734) 6.226 5.930 ( -1.051 1.477 -4.760) 5.093 6.248 ( -11.232 5.929 5.341) 13.778 6.554 ( -5.958 -1.676 1.465) 6.360 6.592 ( -2.236 -8.659 -1.800) 9.122 6.996 ( 8.082 1.991 -3.311) 8.958 7.534 ( -8.806 -1.428 -0.837) 8.960 7.684 ( -0.186 7.391 2.166) 7.704 8.764 ( -7.619 -0.127 -2.142) 7.916 9.141 ( -0.214 -3.721 0.491) 3.759 9.493 ( 20.797 8.392 -1.850) 22.502 9.789 ( 3.459 -7.017 -1.106) 7.901 19.773 ( -1.079 1.854 -0.262) 2.161 20.018 ( -1.739 -0.047 0.005) 1.740 20.043 ( 1.831 -0.504 0.339) 1.929 20.084 ( -0.094 -0.686 -0.485) 0.846 24.917 ( -0.622 -0.687 0.602) 1.105 25.222 ( 0.528 0.268 -0.291) 0.660 32.358 ( 0.038 -0.514 0.445) 0.681 32.421 ( 1.785 0.050 -0.630) 1.893 41.937 ( -7.112 11.523 -5.951) 14.790 42.680 ( 2.567 -5.445 13.060) 14.381 42.905 ( -7.934 -10.028 0.578) 12.800 45.326 ( 13.127 6.905 -9.783) 17.768 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 0.000 10.716 13.785) 17.460 2.934 ( -0.000 22.861 -2.524) 22.999 3.143 ( -0.000 -0.108 -1.765) 1.768 3.301 ( -0.000 10.365 7.052) 12.536 3.687 ( 0.000 -8.839 -4.396) 9.872 4.368 ( 0.000 -2.234 0.777) 2.365 4.529 ( -0.000 26.533 9.451) 28.166 4.966 ( -0.000 -2.086 -11.487) 11.675 5.115 ( 0.000 -8.120 -1.816) 8.321 5.491 ( -0.000 6.725 -0.286) 6.731 5.644 ( -0.000 7.908 0.142) 7.909 6.048 ( -0.000 14.243 -5.203) 15.163 6.436 ( 0.000 7.296 6.791) 9.967 6.500 ( -0.000 4.231 2.444) 4.886 6.601 ( -0.000 4.647 -0.479) 4.672 7.438 ( -0.000 -0.406 -0.657) 0.772 7.752 ( 0.000 -4.673 -2.179) 5.156 7.934 ( -0.000 20.809 -2.658) 20.978 9.223 ( -0.000 1.955 -1.796) 2.655 10.001 ( 0.000 -24.420 -5.688) 25.074 10.366 ( 0.000 -7.305 8.847) 11.473 19.665 ( 0.000 -0.644 0.714) 0.961 19.939 ( -0.000 5.319 -1.258) 5.466 19.960 ( -0.000 0.161 -0.122) 0.202 20.143 ( -0.000 2.636 -0.311) 2.654 24.986 ( 0.000 -1.244 0.981) 1.584 25.215 ( 0.000 -0.728 -0.539) 0.906 32.440 ( 0.000 -2.424 0.037) 2.424 32.446 ( 0.000 -1.193 -0.672) 1.369 41.476 ( 0.000 -5.512 3.801) 6.695 42.890 ( -0.000 1.620 -4.273) 4.570 43.287 ( -0.000 11.269 -3.466) 11.790 44.474 ( -0.000 19.410 -5.279) 20.115 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -6.676 9.750 6.453) 13.464 3.121 ( 0.522 3.936 -0.203) 3.976 3.258 ( 12.952 7.735 -2.618) 15.312 3.512 ( -3.507 -10.211 -4.873) 11.845 3.600 ( 18.636 10.338 6.903) 22.401 4.423 ( 6.151 -0.667 2.733) 6.764 4.653 ( -9.429 6.547 -2.650) 11.781 4.906 ( -1.738 13.417 -1.868) 13.657 5.100 ( 2.741 -9.151 -0.708) 9.579 5.530 ( 3.659 1.877 -2.597) 4.864 5.771 ( 3.516 8.809 2.143) 9.724 6.010 ( -10.498 7.909 -4.782) 13.987 6.549 ( -1.281 14.923 3.633) 15.412 6.650 ( 12.148 -4.942 1.633) 13.216 6.694 ( 2.140 10.682 2.926) 11.280 7.408 ( -1.998 -2.591 -1.184) 3.479 7.674 ( 0.497 -6.727 -2.559) 7.214 8.154 ( 1.855 24.777 -1.846) 24.915 9.229 ( -0.347 1.569 -1.250) 2.036 9.788 ( 2.487 -22.824 -3.347) 23.201 10.257 ( -8.963 -8.448 7.752) 14.554 19.684 ( 2.360 -0.521 0.648) 2.502 19.952 ( -1.010 3.149 -0.370) 3.328 19.997 ( 1.544 2.272 -0.791) 2.858 20.145 ( -1.733 1.318 -0.054) 2.178 24.975 ( -0.404 -1.103 0.397) 1.240 25.208 ( -0.035 -0.285 -0.275) 0.398 32.414 ( -0.300 -1.922 -0.588) 2.032 32.431 ( -0.842 -0.575 0.184) 1.036 41.521 ( 8.824 -4.809 4.473) 11.000 42.777 ( -11.142 7.290 -7.431) 15.248 43.397 ( 6.009 1.447 -6.474) 8.951 44.657 ( 1.062 15.916 4.484) 16.570 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( -3.977 7.516 1.946) 8.723 3.154 ( -1.997 -2.133 1.476) 3.274 3.194 ( -3.113 -10.153 -4.240) 11.434 3.622 ( 11.817 1.282 -3.133) 12.292 4.069 ( 20.608 11.097 5.877) 24.132 4.510 ( 6.743 -7.446 -0.335) 10.051 4.591 ( 0.306 10.180 -5.381) 11.519 4.954 ( -5.398 -0.730 -3.944) 6.725 5.013 ( -6.730 6.850 5.951) 11.298 5.652 ( 9.761 -3.854 -0.335) 10.500 5.796 ( -3.975 3.646 -0.033) 5.394 6.060 ( 7.575 11.484 -2.516) 13.986 6.612 ( -8.909 13.239 2.060) 16.090 6.763 ( 8.133 -4.828 -2.528) 9.790 6.844 ( 1.222 1.072 6.363) 6.567 7.368 ( 1.676 3.918 -1.473) 4.509 7.656 ( 4.174 -4.160 -2.115) 6.261 8.415 ( 3.106 22.965 -0.687) 23.185 9.231 ( -0.386 1.224 -0.015) 1.284 9.589 ( -0.333 -22.626 -1.979) 22.714 10.031 ( -12.703 -6.772 5.238) 15.319 19.729 ( 3.187 -0.538 0.468) 3.266 19.971 ( -0.484 3.725 -0.245) 3.765 20.031 ( 1.440 0.748 -0.741) 1.784 20.118 ( -2.490 0.239 0.366) 2.528 24.957 ( -0.610 -0.999 -0.035) 1.171 25.207 ( 0.060 0.123 -0.026) 0.139 32.392 ( -0.136 -1.266 -0.760) 1.483 32.411 ( -1.420 -0.174 0.602) 1.552 41.694 ( 14.022 -4.172 5.267) 15.549 42.656 ( -10.103 13.027 -9.428) 18.991 43.400 ( 1.032 -8.113 -4.317) 9.248 44.830 ( 1.099 12.069 6.863) 13.927 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -0.953 5.848 0.724) 5.970 2.904 ( -7.304 -16.072 -2.810) 17.876 3.224 ( 1.767 2.240 0.142) 2.856 3.678 ( -0.555 -3.367 -1.829) 3.872 4.405 ( 11.957 -7.627 0.587) 14.195 4.633 ( 13.754 -0.215 -3.103) 14.101 4.690 ( 1.119 11.777 -5.004) 12.845 4.800 ( -12.242 6.707 7.939) 16.059 5.038 ( 0.380 2.163 1.222) 2.514 5.654 ( -0.296 -0.164 -2.806) 2.826 5.900 ( 6.203 0.308 2.608) 6.736 6.322 ( 15.776 5.234 -2.844) 16.863 6.564 ( -7.678 6.582 -0.696) 10.137 6.708 ( -6.287 -8.050 2.879) 10.612 6.850 ( -1.383 1.190 0.931) 2.049 7.549 ( 8.713 10.227 0.378) 13.440 7.671 ( 2.309 -3.904 -1.664) 4.831 8.655 ( 4.615 15.094 0.087) 15.784 9.251 ( -0.107 3.506 1.772) 3.930 9.335 ( -5.735 -17.422 -1.415) 18.396 9.821 ( -7.831 -4.620 1.589) 9.230 19.771 ( 2.006 -0.088 0.224) 2.020 20.000 ( -0.037 3.315 -0.223) 3.323 20.050 ( 1.357 -1.340 -0.535) 1.981 20.082 ( -1.943 0.137 0.600) 2.038 24.938 ( -0.622 -0.910 -0.175) 1.116 25.211 ( 0.166 0.350 0.078) 0.396 32.376 ( -0.332 -1.088 -0.596) 1.284 32.395 ( -0.742 0.548 0.596) 1.098 41.909 ( 11.966 -1.841 4.220) 12.821 42.609 ( -5.629 12.817 -7.187) 15.736 43.238 ( -5.781 -15.012 -1.541) 16.160 45.001 ( 4.063 11.029 4.627) 12.631 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -8.784 -15.215 -0.000) 17.569 2.904 ( 2.466 4.271 -0.000) 4.932 3.258 ( 0.486 0.843 -0.000) 0.973 3.601 ( -2.622 -4.542 -0.000) 5.245 4.319 ( -6.391 -11.069 -0.000) 12.781 4.713 ( 0.746 1.293 -0.000) 1.493 4.821 ( 1.664 2.882 0.000) 3.328 4.869 ( 4.941 8.559 -0.000) 9.883 5.053 ( -0.373 -0.647 -0.000) 0.747 5.687 ( 2.566 4.444 -0.000) 5.131 5.915 ( -1.934 -3.349 -0.000) 3.867 6.425 ( -5.479 -9.489 -0.000) 10.957 6.544 ( -2.283 -3.955 -0.000) 4.566 6.654 ( 5.798 10.042 -0.000) 11.596 6.859 ( 2.346 4.063 -0.000) 4.692 7.606 ( -3.631 -6.289 0.000) 7.262 7.731 ( 2.633 4.560 -0.000) 5.266 8.825 ( 2.798 4.846 -0.000) 5.596 9.126 ( -3.150 -5.456 -0.000) 6.300 9.329 ( 3.132 5.425 0.000) 6.265 9.737 ( 0.552 0.956 -0.000) 1.104 19.791 ( 0.192 0.333 -0.000) 0.385 20.022 ( 0.355 0.614 -0.000) 0.709 20.036 ( -0.723 -1.253 -0.000) 1.447 20.080 ( 0.480 0.831 -0.000) 0.960 24.920 ( -0.470 -0.813 -0.000) 0.939 25.218 ( 0.228 0.395 -0.000) 0.456 32.358 ( -0.468 -0.811 -0.000) 0.937 32.404 ( 0.583 1.009 -0.000) 1.165 42.051 ( 2.552 4.420 0.000) 5.104 42.645 ( 2.242 3.883 -0.000) 4.483 42.934 ( -11.079 -19.190 -0.000) 22.158 45.222 ( 7.800 13.510 -0.000) 15.600 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -0.000 5.785 0.107) 5.786 3.172 ( -0.000 4.852 2.163) 5.312 3.190 ( -0.000 7.948 -5.524) 9.679 3.373 ( 0.000 -17.356 -6.852) 18.659 3.533 ( -0.000 9.950 4.016) 10.730 4.393 ( 0.000 -1.328 7.419) 7.537 4.782 ( -0.000 1.173 -8.750) 8.828 4.916 ( 0.000 -8.516 -2.782) 8.959 5.030 ( -0.000 10.130 -0.075) 10.130 5.570 ( -0.000 5.910 3.337) 6.787 5.861 ( -0.000 14.063 -0.052) 14.063 6.164 ( -0.000 3.786 -4.635) 5.985 6.426 ( 0.000 -8.206 0.032) 8.206 6.720 ( -0.000 11.099 7.202) 13.231 6.795 ( -0.000 9.035 2.636) 9.412 7.389 ( 0.000 -2.995 -1.871) 3.532 7.570 ( 0.000 -9.294 -2.499) 9.624 8.389 ( -0.000 28.242 -0.414) 28.245 9.237 ( -0.000 1.563 -2.138) 2.648 9.562 ( 0.000 -20.463 -0.481) 20.468 10.290 ( 0.000 -8.590 7.955) 11.708 19.664 ( 0.000 -0.376 0.698) 0.793 19.957 ( -0.000 -0.158 -0.399) 0.429 20.035 ( -0.000 5.562 -0.483) 5.583 20.165 ( 0.000 -0.047 -0.002) 0.047 24.968 ( 0.000 -1.109 -0.236) 1.134 25.206 ( 0.000 0.039 0.042) 0.058 32.398 ( 0.000 -1.376 -0.741) 1.563 32.437 ( 0.000 -0.094 0.518) 0.526 41.430 ( 0.000 -3.575 4.386) 5.658 42.874 ( -0.000 1.449 -4.819) 5.033 43.294 ( -0.000 2.372 -18.079) 18.234 44.867 ( 0.000 15.411 16.262) 22.404 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( -4.541 0.550 -9.547) 10.587 3.126 ( -5.180 -12.760 -0.184) 13.772 3.206 ( -2.282 5.527 2.072) 6.328 3.354 ( 14.387 -2.392 -7.055) 16.201 3.847 ( 20.733 11.351 2.080) 23.729 4.386 ( -0.931 -12.469 6.765) 14.216 4.665 ( -3.343 6.618 -8.277) 11.112 4.942 ( 4.463 -0.628 -4.894) 6.653 5.109 ( 2.056 0.600 3.378) 4.000 5.598 ( -3.668 4.824 3.345) 6.922 5.944 ( -8.336 4.243 1.869) 9.539 6.096 ( -0.127 9.429 -6.262) 11.320 6.499 ( 11.959 -8.559 -0.586) 14.718 6.840 ( -1.432 8.558 4.899) 9.965 6.866 ( 0.662 1.513 5.026) 5.291 7.369 ( 1.489 1.824 -2.495) 3.430 7.510 ( 3.353 -6.798 -1.630) 7.753 8.635 ( -1.303 24.390 0.615) 24.433 9.243 ( 0.399 2.031 -1.596) 2.614 9.388 ( 0.577 -18.325 0.589) 18.344 10.182 ( -8.775 -6.175 6.950) 12.784 19.682 ( 2.170 -0.399 0.609) 2.289 19.966 ( 1.464 -0.040 -0.450) 1.532 20.069 ( -1.499 4.522 -0.288) 4.773 20.148 ( -1.423 -1.104 0.328) 1.831 24.953 ( -0.275 -1.061 -0.674) 1.287 25.209 ( 0.001 0.360 0.285) 0.460 32.382 ( -0.218 -0.734 -0.772) 1.087 32.434 ( -0.884 0.323 0.749) 1.203 41.496 ( 8.735 -2.760 5.008) 10.440 42.827 ( -4.541 5.906 -7.453) 10.538 43.231 ( 2.677 -5.569 -16.533) 17.650 45.056 ( -3.681 12.931 19.138) 23.389 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -1.729 -15.083 -13.289) 20.176 2.988 ( -5.920 1.230 3.799) 7.141 3.234 ( -0.603 3.961 0.030) 4.007 3.523 ( 12.907 -4.941 -6.424) 15.240 4.189 ( 1.310 -9.935 -0.416) 10.029 4.364 ( 21.800 1.883 1.129) 21.910 4.706 ( 2.384 4.557 -5.065) 7.218 4.998 ( 0.811 6.628 0.684) 6.712 5.096 ( -4.718 -3.320 5.375) 7.885 5.628 ( 0.851 1.666 1.801) 2.597 5.846 ( -0.637 1.032 0.306) 1.251 6.191 ( 3.846 3.162 -5.530) 7.441 6.555 ( 3.668 -4.662 -1.611) 6.147 6.794 ( -6.311 -7.525 3.859) 10.552 6.936 ( -0.524 5.778 5.091) 7.719 7.493 ( 7.386 8.783 -1.466) 11.569 7.526 ( 6.748 -6.472 -1.681) 9.500 8.760 ( -1.859 6.220 1.756) 6.725 9.243 ( -1.426 -10.332 -0.768) 10.458 9.316 ( 1.599 11.301 0.888) 11.448 9.984 ( -13.241 -2.894 4.786) 14.373 19.726 ( 3.149 -0.231 0.481) 3.194 19.995 ( 2.292 -0.071 -0.427) 2.333 20.066 ( -2.575 2.280 -0.273) 3.450 20.111 ( -1.799 -1.119 0.637) 2.212 24.934 ( -0.370 -0.980 -0.800) 1.318 25.215 ( -0.000 0.552 0.370) 0.665 32.370 ( -0.319 -0.324 -0.747) 0.874 32.425 ( -1.304 0.871 0.874) 1.796 41.690 ( 14.049 -2.034 5.857) 15.356 42.778 ( -5.943 9.839 -10.455) 15.538 43.098 ( 0.450 -14.357 -10.167) 17.598 45.185 ( -4.639 12.331 16.495) 21.111 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -0.000 -16.622 -18.402) 24.798 3.115 ( 0.000 -2.807 2.621) 3.840 3.158 ( -0.000 -3.711 -6.267) 7.284 3.338 ( -0.000 9.000 0.924) 9.047 3.739 ( -0.000 8.177 0.747) 8.211 4.320 ( 0.000 -16.186 9.509) 18.773 4.671 ( -0.000 -2.674 -12.245) 12.534 4.877 ( -0.000 7.771 -1.682) 7.951 5.111 ( -0.000 1.590 0.431) 1.647 5.700 ( 0.000 0.770 3.405) 3.491 6.126 ( -0.000 13.745 -1.154) 13.793 6.164 ( -0.000 1.635 -4.170) 4.480 6.242 ( 0.000 -11.803 2.053) 11.980 6.889 ( 0.000 -1.095 7.298) 7.380 6.907 ( 0.000 -1.264 2.935) 3.195 7.329 ( -0.000 0.310 -2.935) 2.952 7.460 ( -0.000 -0.037 -0.883) 0.884 8.829 ( -0.000 6.961 1.693) 7.164 9.238 ( -0.000 0.785 -2.380) 2.506 9.281 ( 0.000 -0.736 1.589) 1.751 10.248 ( 0.000 -2.830 7.820) 8.317 19.663 ( 0.000 -0.408 0.627) 0.748 19.949 ( -0.000 -0.060 -0.636) 0.638 20.121 ( -0.000 2.857 0.089) 2.859 20.147 ( 0.000 -1.379 0.455) 1.452 24.941 ( -0.000 -1.035 -1.111) 1.518 25.216 ( 0.000 0.602 0.490) 0.776 32.377 ( -0.000 -0.053 -0.753) 0.755 32.450 ( 0.000 0.767 0.903) 1.185 41.428 ( 0.000 -1.535 4.945) 5.178 42.855 ( -0.000 1.799 -5.368) 5.662 43.086 ( -0.000 -3.612 -20.772) 21.084 45.305 ( 0.000 10.636 23.151) 25.478 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -0.886 -20.584 -17.378) 26.953 3.092 ( -3.022 1.585 1.610) 3.773 3.194 ( 12.908 -7.146 -7.435) 16.521 3.342 ( -5.821 7.209 -0.383) 9.273 3.999 ( 19.804 -6.232 2.291) 20.887 4.153 ( -3.944 -6.422 1.718) 7.730 4.620 ( 4.714 -5.287 -8.145) 10.794 5.008 ( 4.521 9.599 0.018) 10.610 5.131 ( -0.441 0.179 3.633) 3.664 5.672 ( -1.524 -1.068 1.481) 2.379 5.943 ( -11.482 -3.767 -0.521) 12.095 6.180 ( -1.185 2.557 -4.160) 5.025 6.404 ( 11.039 0.438 0.821) 11.078 6.805 ( -5.170 -12.464 4.343) 14.175 6.952 ( 4.070 -2.192 5.791) 7.410 7.376 ( 5.113 -0.005 -2.967) 5.911 7.481 ( 1.907 4.933 -1.678) 5.548 8.757 ( -1.428 -15.492 3.149) 15.873 9.218 ( -1.515 -0.380 -1.871) 2.437 9.428 ( 2.951 20.738 0.174) 20.948 10.204 ( -9.756 2.288 8.143) 12.912 19.681 ( 2.242 -0.236 0.607) 2.335 19.959 ( 1.534 -0.033 -0.611) 1.652 20.105 ( -1.286 -2.452 0.523) 2.818 20.142 ( -1.901 1.621 0.191) 2.505 24.924 ( -0.150 -0.954 -1.243) 1.575 25.224 ( -0.059 0.758 0.542) 0.934 32.373 ( -0.362 0.510 -0.713) 0.949 32.457 ( -0.845 1.260 1.009) 1.822 41.515 ( 8.690 -0.726 5.544) 10.334 42.854 ( -0.385 4.764 -8.063) 9.373 42.922 ( -1.398 -9.528 -16.230) 18.872 45.467 ( -4.693 9.557 22.121) 24.550 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -0.000 -22.838 -19.327) 29.918 2.964 ( 0.000 -10.015 -7.227) 12.350 3.141 ( 0.000 1.952 1.825) 2.673 3.491 ( -0.000 8.047 -2.931) 8.564 3.721 ( 0.000 -16.147 3.871) 16.605 4.173 ( 0.000 -0.650 3.434) 3.495 4.430 ( -0.000 -11.252 -9.941) 15.014 5.077 ( -0.000 11.685 1.525) 11.784 5.161 ( -0.000 2.706 2.046) 3.393 5.632 ( 0.000 -8.634 -2.488) 8.985 6.016 ( 0.000 -11.504 -0.612) 11.520 6.167 ( -0.000 2.230 -2.290) 3.197 6.348 ( -0.000 7.154 2.847) 7.700 6.815 ( 0.000 -14.307 8.392) 16.587 6.816 ( 0.000 -9.183 2.543) 9.528 7.338 ( -0.000 2.492 -3.627) 4.400 7.490 ( -0.000 2.991 -3.601) 4.681 8.605 ( 0.000 -20.347 4.120) 20.760 9.222 ( -0.000 0.055 -2.449) 2.449 9.595 ( -0.000 19.715 -1.469) 19.770 10.394 ( 0.000 10.783 11.146) 15.508 19.662 ( 0.000 -0.195 0.703) 0.729 19.944 ( -0.000 0.141 -0.701) 0.715 20.086 ( 0.000 -3.942 0.763) 4.015 20.173 ( -0.000 0.759 0.056) 0.761 24.911 ( -0.000 -0.862 -1.414) 1.656 25.235 ( -0.000 0.905 0.564) 1.066 32.381 ( -0.000 1.253 -0.657) 1.415 32.483 ( -0.000 1.677 1.096) 2.004 41.468 ( 0.000 0.416 5.407) 5.423 42.788 ( -0.000 -7.809 -18.112) 19.724 42.839 ( -0.000 2.292 -5.799) 6.235 45.696 ( 0.000 7.379 23.228) 24.372 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.000 -0.000 21.678) 21.678 0.894 ( 0.000 -0.000 21.678) 21.678 1.929 ( 0.000 -0.000 41.738) 41.738 2.268 ( -0.000 0.000 -2.445) 2.445 2.268 ( -0.000 0.000 -2.445) 2.445 3.668 ( 0.000 -0.000 0.894) 0.894 4.731 ( 0.000 -0.000 1.097) 1.097 5.236 ( -0.000 0.000 -22.921) 22.921 5.354 ( -0.000 0.000 -3.072) 3.072 5.354 ( -0.000 0.000 -3.072) 3.072 5.787 ( -0.000 0.000 -0.746) 0.746 5.963 ( 0.000 -0.000 4.937) 4.937 5.963 ( 0.000 -0.000 4.937) 4.937 6.389 ( -0.000 0.000 -6.710) 6.710 6.389 ( -0.000 0.000 -6.710) 6.710 7.192 ( 0.000 -0.000 5.341) 5.341 7.192 ( 0.000 -0.000 5.341) 5.341 7.821 ( 0.000 -0.000 3.376) 3.376 9.120 ( -0.000 0.000 -1.293) 1.293 9.120 ( -0.000 0.000 -1.293) 1.293 12.027 ( -0.000 0.000 -0.042) 0.042 19.802 ( 0.000 0.000 -0.626) 0.626 19.802 ( -0.000 0.000 -0.626) 0.626 19.864 ( 0.000 -0.000 0.454) 0.454 19.864 ( 0.000 -0.000 0.454) 0.454 25.149 ( -0.000 0.000 -1.141) 1.141 25.326 ( 0.000 -0.000 0.428) 0.428 32.620 ( 0.000 -0.000 0.253) 0.253 32.653 ( -0.000 0.000 -0.213) 0.213 41.900 ( 0.000 -0.000 5.716) 5.716 41.900 ( 0.000 -0.000 5.716) 5.716 42.726 ( 0.000 0.000 -6.602) 6.602 42.726 ( -0.000 0.000 -6.602) 6.602 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 20.971 12.108 17.864) 30.091 1.528 ( 33.967 19.611 15.635) 42.223 2.230 ( 15.846 9.149 30.850) 35.868 2.326 ( 8.883 5.129 -4.139) 11.061 2.578 ( 22.982 13.269 2.445) 26.650 3.648 ( -2.133 -1.231 1.633) 2.955 4.703 ( -3.234 -1.867 0.887) 3.839 4.822 ( -20.041 -11.571 -9.535) 25.029 5.296 ( -0.844 -0.487 -4.096) 4.210 5.382 ( 0.982 0.567 -1.706) 2.049 5.787 ( -0.358 -0.207 -0.626) 0.751 5.942 ( -2.245 -1.296 1.366) 2.930 6.042 ( 3.181 1.837 2.645) 4.526 6.383 ( 4.601 2.656 -5.973) 7.994 6.548 ( 10.030 5.791 -8.628) 14.442 7.223 ( 0.855 0.494 5.321) 5.412 7.258 ( 2.638 1.523 5.320) 6.130 7.634 ( -9.015 -5.205 1.120) 10.470 9.092 ( -0.733 -0.423 -1.112) 1.397 9.600 ( 29.802 17.206 -6.449) 35.012 11.867 ( -12.552 -7.247 -2.037) 14.636 19.765 ( -0.939 -0.542 -0.343) 1.137 19.801 ( -1.403 -0.810 -0.720) 1.773 19.871 ( 1.521 0.878 0.561) 1.843 19.915 ( 2.976 1.718 0.127) 3.439 25.099 ( -3.594 -2.075 0.908) 4.249 25.305 ( -1.559 -0.900 0.334) 1.830 32.597 ( -2.361 -1.363 0.381) 2.752 32.618 ( -2.361 -1.363 -0.353) 2.749 41.898 ( 2.066 1.193 6.066) 6.518 41.997 ( 1.387 0.801 6.405) 6.602 42.598 ( -3.671 -2.119 -7.203) 8.358 43.394 ( 50.606 29.218 -25.277) 63.668 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 22.081 12.749 12.161) 28.249 2.073 ( 9.749 5.629 27.198) 29.436 2.613 ( 19.104 11.029 -2.425) 22.192 3.004 ( 40.484 23.373 7.019) 47.270 3.078 ( 17.801 10.277 1.109) 20.584 3.644 ( 3.283 1.895 5.754) 6.890 4.464 ( -10.162 -5.867 -1.094) 11.785 4.600 ( -6.362 -3.673 -0.062) 7.346 5.292 ( 2.842 1.641 -4.644) 5.687 5.394 ( 1.676 0.967 -3.249) 3.782 5.739 ( -4.152 -2.397 -0.113) 4.795 5.878 ( -3.264 -1.885 -0.825) 3.859 6.164 ( 7.617 4.397 1.199) 8.876 6.488 ( 6.385 3.687 -4.335) 8.553 6.635 ( 1.754 1.013 -4.756) 5.169 7.274 ( 1.443 0.833 4.873) 5.150 7.357 ( 4.767 2.752 3.689) 6.627 7.594 ( 4.837 2.793 -3.198) 6.436 9.080 ( 0.007 0.004 -0.363) 0.363 10.024 ( 10.065 5.811 -1.404) 11.706 11.541 ( -14.231 -8.216 -8.274) 18.398 19.763 ( -1.624 -0.938 -0.604) 1.970 19.769 ( 1.628 0.940 -0.649) 1.989 19.906 ( 1.332 0.769 0.483) 1.613 19.989 ( 3.720 2.148 0.065) 4.297 25.032 ( -3.090 -1.784 2.320) 4.256 25.272 ( -1.430 -0.826 -0.313) 1.681 32.533 ( -3.324 -1.919 0.145) 3.840 32.565 ( -2.353 -1.359 -0.726) 2.813 41.998 ( -3.473 -2.005 2.312) 4.629 42.044 ( 7.710 4.451 9.023) 12.676 42.527 ( -0.309 -0.178 -2.870) 2.892 44.283 ( 42.842 24.735 -34.927) 60.557 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 18.074 10.435 7.949) 22.333 2.345 ( 4.423 2.554 27.035) 27.513 3.080 ( 23.146 13.363 0.055) 26.727 3.235 ( 0.923 0.533 -4.584) 4.706 3.559 ( 5.537 3.197 3.314) 7.202 4.094 ( 33.813 19.522 1.426) 39.070 4.366 ( -2.041 -1.178 8.376) 8.702 4.451 ( -6.268 -3.619 -1.227) 7.341 5.399 ( 8.593 4.961 -2.520) 10.238 5.419 ( 1.285 0.742 -6.268) 6.441 5.625 ( -5.097 -2.943 1.558) 6.088 5.827 ( 0.414 0.239 -2.441) 2.487 6.363 ( 9.712 5.607 0.549) 11.228 6.586 ( 4.261 2.460 -3.361) 5.958 6.652 ( 3.304 1.908 -4.100) 5.601 7.324 ( 1.044 0.603 4.130) 4.303 7.473 ( 2.946 1.701 5.420) 6.400 7.754 ( 11.562 6.675 -6.048) 14.657 9.090 ( 0.790 0.456 0.765) 1.191 10.044 ( -7.024 -4.055 3.694) 8.912 11.205 ( -12.445 -7.185 -12.527) 19.064 19.729 ( -1.240 -0.716 -0.643) 1.570 19.827 ( 4.060 2.344 -0.969) 4.787 19.930 ( 0.602 0.347 0.572) 0.900 20.069 ( 3.613 2.086 0.064) 4.173 24.989 ( -2.056 -1.187 2.295) 3.302 25.243 ( -1.031 -0.595 -0.737) 1.400 32.465 ( -2.948 -1.702 0.175) 3.409 32.513 ( -1.937 -1.118 -1.077) 2.482 41.887 ( -5.912 -3.413 -3.391) 7.623 42.286 ( 9.086 5.246 13.070) 16.760 42.548 ( 1.677 0.968 3.170) 3.715 44.885 ( 28.983 16.733 -31.659) 46.068 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 1.333 0.769 23.542) 23.592 2.692 ( 14.105 8.144 7.209) 17.811 3.214 ( 0.359 0.207 -3.699) 3.722 3.512 ( 15.087 8.711 -1.768) 17.511 3.521 ( -7.237 -4.178 0.751) 8.390 4.378 ( 1.664 0.961 -0.650) 2.029 4.380 ( -1.466 -0.847 12.247) 12.363 4.736 ( 23.510 13.574 -2.862) 27.298 5.272 ( -11.300 -6.524 -6.511) 14.582 5.556 ( 5.322 3.073 -0.010) 6.146 5.654 ( 6.380 3.684 1.105) 7.450 5.915 ( 7.408 4.277 -0.445) 8.566 6.511 ( 1.668 0.963 -0.761) 2.071 6.684 ( 8.141 4.700 -2.260) 9.668 6.774 ( 10.351 5.976 -6.488) 13.600 7.347 ( -0.899 -0.519 3.341) 3.499 7.508 ( -2.339 -1.350 6.837) 7.351 8.031 ( 17.324 10.002 -6.496) 21.032 9.120 ( 1.340 0.774 1.900) 2.451 9.837 ( -12.369 -7.141 2.507) 14.501 10.876 ( -12.841 -7.414 -11.481) 18.753 19.704 ( -0.787 -0.454 -0.718) 1.158 19.926 ( 5.319 3.071 -0.936) 6.213 19.938 ( -0.023 -0.013 0.691) 0.692 20.136 ( 2.413 1.393 0.047) 2.787 24.962 ( -1.485 -0.857 1.854) 2.525 25.223 ( -0.422 -0.243 -0.775) 0.915 32.411 ( -2.215 -1.279 0.443) 2.595 32.476 ( -1.021 -0.590 -1.119) 1.626 41.738 ( -5.440 -3.141 -6.202) 8.828 42.531 ( 6.648 3.838 16.258) 17.979 42.612 ( 1.906 1.101 6.328) 6.700 45.258 ( 19.378 11.188 -26.203) 34.457 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -3.943 -2.276 21.375) 21.855 2.969 ( 7.485 4.321 8.006) 11.781 3.237 ( 2.628 1.517 -1.059) 3.214 3.323 ( -9.062 -5.232 -2.438) 10.744 3.680 ( 4.278 2.470 -4.635) 6.773 4.429 ( 0.270 0.156 12.859) 12.863 4.538 ( 11.268 6.505 -1.458) 13.092 4.939 ( -16.008 -9.242 -4.975) 19.142 5.053 ( 8.011 4.625 -2.381) 9.551 5.664 ( 4.813 2.779 0.264) 5.564 5.846 ( 10.130 5.849 1.832) 11.840 6.045 ( 3.677 2.123 1.899) 4.651 6.454 ( -4.868 -2.811 -2.579) 6.185 6.870 ( 8.301 4.792 -2.022) 9.796 6.966 ( 8.614 4.973 -8.698) 13.213 7.314 ( -3.286 -1.897 3.049) 4.868 7.465 ( -3.198 -1.846 4.343) 5.701 8.445 ( 23.163 13.373 -3.975) 27.041 9.161 ( 1.380 0.797 2.666) 3.106 9.557 ( -14.340 -8.279 0.219) 16.560 10.565 ( -10.493 -6.058 -9.619) 15.470 19.687 ( -0.516 -0.298 -0.782) 0.983 19.938 ( -0.232 -0.134 0.783) 0.827 20.036 ( 5.024 2.900 -0.606) 5.832 20.167 ( 0.398 0.230 -0.105) 0.471 24.941 ( -1.218 -0.703 1.440) 2.013 25.217 ( 0.168 0.097 -0.616) 0.646 32.376 ( -1.186 -0.685 0.621) 1.504 32.459 ( -0.064 -0.037 -0.912) 0.915 41.605 ( -3.811 -2.200 -6.956) 8.231 42.686 ( 1.925 1.112 7.345) 7.674 42.712 ( 2.315 1.336 17.918) 18.116 45.489 ( 13.397 7.735 -22.280) 27.124 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -14.150 -8.170 20.439) 26.167 3.058 ( -2.560 -1.478 7.172) 7.757 3.157 ( -3.010 -1.738 -3.065) 4.634 3.340 ( 5.910 3.412 0.398) 6.836 3.760 ( 5.076 2.931 -1.955) 6.179 4.465 ( -16.724 -9.656 -10.296) 21.885 4.488 ( -1.621 -0.936 12.797) 12.933 4.853 ( 10.100 5.831 1.501) 11.758 5.131 ( 2.028 1.171 -2.558) 3.469 5.717 ( -1.096 -0.633 1.430) 1.910 6.066 ( 6.586 3.802 5.889) 9.618 6.111 ( 2.019 1.166 2.755) 3.609 6.315 ( -4.359 -2.517 -6.699) 8.379 6.951 ( -1.157 -0.668 -3.076) 3.354 7.006 ( -1.328 -0.767 -8.600) 8.736 7.280 ( 0.062 0.036 3.808) 3.809 7.444 ( 0.222 0.128 1.342) 1.366 8.858 ( 6.979 4.029 -2.230) 8.361 9.199 ( 0.841 0.486 2.847) 3.008 9.299 ( -1.120 -0.647 -0.754) 1.497 10.374 ( -2.425 -1.400 -9.247) 9.661 19.673 ( -0.420 -0.243 -0.780) 0.919 19.939 ( -0.046 -0.027 0.789) 0.791 20.123 ( 2.580 1.489 -0.186) 2.984 20.153 ( -1.069 -0.617 -0.455) 1.315 24.923 ( -1.016 -0.587 1.266) 1.727 25.223 ( 0.570 0.329 -0.512) 0.834 32.367 ( -0.025 -0.014 0.687) 0.688 32.463 ( 0.777 0.449 -0.840) 1.229 41.512 ( -1.782 -1.029 -6.546) 6.862 42.764 ( 2.044 1.180 7.034) 7.420 42.798 ( -2.379 -1.373 18.398) 18.602 45.629 ( 9.552 5.515 -21.036) 23.752 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -0.000 22.330 15.684) 27.288 1.600 ( -0.000 34.675 17.399) 38.795 2.334 ( 0.000 14.791 17.460) 22.883 2.387 ( -0.000 13.075 -2.730) 13.357 2.585 ( -0.000 28.153 10.869) 30.178 3.677 ( 0.000 1.143 2.781) 3.006 4.708 ( 0.000 -3.749 0.778) 3.829 4.774 ( -0.000 -17.383 -14.030) 22.338 5.247 ( 0.000 -4.538 -3.025) 5.454 5.417 ( -0.000 3.920 -1.674) 4.262 5.780 ( 0.000 -1.180 -0.261) 1.209 5.973 ( 0.000 0.770 4.849) 4.909 6.003 ( 0.000 -2.792 0.933) 2.944 6.402 ( -0.000 5.205 -8.845) 10.263 6.431 ( -0.000 7.203 -5.552) 9.095 7.268 ( 0.000 2.474 4.062) 4.756 7.304 ( -0.000 7.735 4.156) 8.781 7.648 ( 0.000 -11.354 1.854) 11.504 9.137 ( -0.000 1.786 -1.417) 2.280 9.538 ( -0.000 34.324 -5.890) 34.826 11.819 ( 0.000 -21.751 -0.178) 21.752 19.752 ( 0.000 -2.553 -0.016) 2.553 19.810 ( -0.000 0.081 -1.025) 1.028 19.892 ( -0.000 3.592 0.548) 3.633 19.900 ( -0.000 1.845 0.044) 1.845 25.103 ( 0.000 -3.371 0.448) 3.401 25.307 ( 0.000 -1.920 0.381) 1.957 32.599 ( 0.000 -2.732 0.371) 2.757 32.616 ( 0.000 -2.857 -0.303) 2.874 41.830 ( 0.000 -7.745 5.246) 9.354 42.156 ( -0.000 15.581 8.107) 17.564 42.768 ( -0.000 5.471 -6.070) 8.171 43.055 ( -0.000 40.161 -23.123) 46.342 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 15.557 23.476 12.858) 30.960 2.062 ( 13.321 16.041 19.218) 28.357 2.533 ( 4.891 19.483 1.000) 20.113 2.794 ( 21.572 26.662 2.793) 34.410 2.988 ( 10.397 20.730 7.869) 24.490 3.725 ( -1.232 10.111 6.622) 12.149 4.514 ( -6.803 -8.294 -7.481) 13.079 4.649 ( -2.886 -4.122 -0.205) 5.036 5.213 ( 2.166 -2.601 -3.578) 4.925 5.411 ( -1.358 1.881 -3.091) 3.865 5.739 ( -2.344 -4.900 -0.731) 5.480 5.977 ( -3.744 4.799 1.407) 6.247 6.040 ( 6.233 -3.367 2.429) 7.490 6.414 ( 3.475 2.775 -4.628) 6.418 6.543 ( 6.336 3.233 -5.375) 8.915 7.327 ( 2.217 4.884 1.474) 5.563 7.403 ( -1.022 9.139 4.163) 10.094 7.553 ( -1.184 -1.403 -0.547) 1.915 9.115 ( -2.605 2.561 -0.794) 3.738 9.936 ( 11.806 20.863 -4.372) 24.367 11.519 ( -6.743 -25.995 -2.818) 27.003 19.739 ( 1.162 -1.608 0.083) 1.986 19.789 ( -1.820 0.605 -1.077) 2.200 19.923 ( 0.000 3.526 0.260) 3.536 19.951 ( 2.765 2.150 0.137) 3.505 25.060 ( -1.746 -2.833 1.474) 3.640 25.281 ( -0.995 -1.712 -0.018) 1.980 32.553 ( -1.938 -3.336 0.189) 3.863 32.576 ( -1.425 -2.557 -0.442) 2.961 41.858 ( 9.243 -8.068 6.201) 13.747 42.235 ( -12.704 13.676 3.217) 18.942 42.679 ( -7.069 13.412 -0.795) 15.182 43.702 ( 37.813 29.866 -29.573) 56.536 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 9.940 12.818 13.202) 20.914 2.501 ( 8.969 16.658 19.159) 26.926 2.887 ( 15.518 19.071 -1.481) 24.631 3.194 ( 6.503 5.857 -3.673) 9.492 3.441 ( 17.878 14.353 1.985) 23.013 3.952 ( 9.663 20.239 6.580) 23.373 4.409 ( -0.748 1.151 3.558) 3.814 4.539 ( -6.804 -1.469 -1.075) 7.043 5.266 ( 8.052 2.622 -4.128) 9.420 5.413 ( 0.782 3.794 -4.694) 6.086 5.615 ( -3.236 -8.306 -1.823) 9.099 5.945 ( -7.614 7.245 0.453) 10.520 6.158 ( 11.915 -5.689 1.744) 13.318 6.483 ( 6.229 -0.328 -3.733) 7.269 6.651 ( 3.836 7.111 -2.590) 8.485 7.433 ( -5.383 9.542 2.497) 11.237 7.454 ( 4.218 3.959 2.883) 6.463 7.622 ( 8.260 3.568 -3.221) 9.557 9.110 ( -0.961 2.545 0.520) 2.769 10.133 ( -2.139 4.439 1.905) 5.283 11.151 ( -5.825 -22.853 -9.286) 25.346 19.750 ( -0.804 0.077 -0.496) 0.948 19.779 ( 2.190 1.061 -0.707) 2.534 19.951 ( -0.679 3.173 0.404) 3.270 20.024 ( 3.855 1.526 0.064) 4.147 25.017 ( -1.792 -1.840 1.854) 3.168 25.249 ( -1.020 -1.205 -0.502) 1.656 32.490 ( -2.365 -2.553 0.088) 3.481 32.523 ( -1.727 -2.283 -0.717) 2.951 42.007 ( 7.722 -3.088 5.602) 10.028 42.094 ( -7.040 0.954 -1.849) 7.341 42.778 ( -5.403 19.793 9.295) 22.524 44.370 ( 34.234 17.928 -30.462) 49.207 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 8.369 2.347 15.296) 17.594 2.831 ( 1.088 22.480 12.495) 25.742 3.127 ( 4.599 0.345 -5.216) 6.963 3.474 ( 11.982 21.756 0.177) 24.838 3.572 ( -2.551 -3.161 1.150) 4.221 4.388 ( -4.071 -3.005 5.048) 7.147 4.442 ( 12.596 10.688 2.023) 16.643 4.501 ( 8.686 10.112 0.023) 13.330 5.365 ( -6.651 -2.334 -5.343) 8.844 5.433 ( 8.090 1.481 -1.815) 8.422 5.615 ( 7.666 5.883 0.467) 9.674 5.893 ( -3.900 4.173 -1.250) 5.846 6.343 ( 16.367 -2.788 0.201) 16.604 6.583 ( 6.103 1.766 -2.251) 6.741 6.761 ( 1.313 10.915 -3.404) 11.509 7.411 ( -4.569 2.221 2.519) 5.670 7.555 ( 0.713 1.253 5.557) 5.741 7.837 ( 13.992 9.269 -5.821) 17.765 9.133 ( 0.089 2.466 1.742) 3.021 10.003 ( -13.230 -4.801 4.062) 14.648 10.830 ( -4.178 -18.942 -11.984) 22.800 19.727 ( -1.866 1.167 -0.797) 2.341 19.854 ( 5.312 1.438 -0.550) 5.530 19.964 ( -1.174 2.433 0.597) 2.767 20.097 ( 3.597 0.725 0.053) 3.670 24.985 ( -1.496 -1.216 1.633) 2.527 25.224 ( -0.570 -0.627 -0.665) 1.077 32.434 ( -2.140 -1.832 0.393) 2.844 32.477 ( -1.080 -1.631 -0.978) 2.187 41.873 ( -13.102 6.444 -7.153) 16.259 42.258 ( 17.587 -10.587 10.479) 23.047 42.911 ( -7.877 18.780 13.551) 24.462 44.843 ( 26.564 9.144 -26.824) 38.842 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 4.137 -2.155 15.506) 16.192 3.078 ( -0.433 16.430 8.865) 18.674 3.174 ( 3.062 3.451 -2.374) 5.189 3.399 ( -9.171 -8.533 0.485) 12.536 3.780 ( -1.194 21.023 -4.598) 21.553 4.385 ( 5.240 -2.068 7.910) 9.711 4.529 ( 0.750 5.276 1.635) 5.574 4.842 ( 9.764 -0.047 -0.324) 9.769 5.202 ( -7.686 3.821 -5.009) 9.938 5.549 ( 5.967 1.859 -2.407) 6.698 5.801 ( 5.979 8.758 2.546) 10.906 5.914 ( 6.571 -5.509 -0.363) 8.582 6.570 ( -1.634 7.725 0.589) 7.918 6.683 ( 14.337 -0.929 -1.959) 14.500 6.885 ( 4.507 9.913 -6.769) 12.822 7.356 ( -2.809 -2.836 2.270) 4.592 7.552 ( -4.721 0.580 4.871) 6.808 8.193 ( 20.249 13.167 -4.271) 24.528 9.169 ( 0.607 1.830 2.462) 3.127 9.723 ( -15.218 -7.476 1.483) 17.020 10.535 ( -4.878 -16.801 -10.173) 20.237 19.707 ( -1.669 1.446 -0.798) 2.348 19.948 ( 2.660 1.069 -0.129) 2.870 19.977 ( 2.029 2.270 0.423) 3.074 20.146 ( 2.099 -0.402 -0.038) 2.138 24.960 ( -1.263 -0.919 1.282) 2.021 25.213 ( 0.001 -0.121 -0.567) 0.580 32.392 ( -1.498 -1.189 0.647) 2.019 32.451 ( -0.095 -1.001 -0.928) 1.368 41.705 ( -10.341 6.012 -7.564) 14.152 42.490 ( 14.794 -7.508 11.204) 20.019 42.990 ( -9.243 12.598 15.241) 21.827 45.155 ( 20.153 3.803 -23.013) 30.826 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -5.305 -5.417 17.698) 19.254 3.153 ( -4.905 -6.264 -2.028) 8.210 3.206 ( 1.748 2.425 3.300) 4.452 3.262 ( -3.950 7.982 3.017) 9.403 3.889 ( -3.874 21.780 -3.374) 22.378 4.434 ( -4.010 -11.636 3.638) 12.834 4.593 ( 2.564 4.186 -1.709) 5.197 4.866 ( -0.518 4.632 5.145) 6.942 5.160 ( -3.523 5.136 -3.728) 7.259 5.647 ( 6.398 -1.213 -2.750) 7.069 5.956 ( 6.990 -10.282 1.852) 12.570 6.016 ( 7.800 8.579 3.160) 12.018 6.491 ( -10.959 5.005 0.229) 12.050 6.896 ( 7.358 1.258 -3.294) 8.159 6.967 ( 1.598 2.730 -8.054) 8.653 7.328 ( -0.178 1.805 3.132) 3.620 7.483 ( -5.520 0.694 2.032) 5.923 8.656 ( 21.716 11.148 -2.234) 24.512 9.212 ( 1.252 1.935 2.649) 3.511 9.399 ( -14.571 -8.165 -0.781) 16.721 10.295 ( -1.278 -12.485 -8.470) 15.141 19.691 ( -1.481 1.549 -0.738) 2.267 19.958 ( -0.950 1.335 0.648) 1.762 20.068 ( 4.920 0.840 -0.081) 4.992 20.153 ( -0.029 -1.523 -0.327) 1.558 24.940 ( -1.042 -0.754 1.115) 1.702 25.215 ( 0.434 0.193 -0.479) 0.675 32.371 ( -0.506 -0.553 0.731) 1.047 32.446 ( 0.800 -0.546 -0.838) 1.280 41.583 ( -7.620 6.432 -6.887) 12.119 42.695 ( 9.891 -2.687 10.649) 14.780 42.992 ( -9.001 3.680 15.544) 18.336 45.354 ( 15.189 1.181 -21.129) 26.049 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -0.000 28.001 8.689) 29.318 2.249 ( 0.000 15.186 21.897) 26.647 2.678 ( -0.000 19.487 -1.031) 19.514 2.897 ( -0.000 32.344 -1.747) 32.391 3.130 ( -0.000 15.447 7.682) 17.252 3.911 ( -0.000 17.191 8.372) 19.121 4.503 ( -0.000 5.821 -9.856) 11.447 4.599 ( 0.000 -7.791 -0.688) 7.822 5.173 ( -0.000 -0.590 -1.161) 1.302 5.382 ( -0.000 -5.385 -4.599) 7.082 5.719 ( 0.000 -5.507 1.103) 5.617 5.946 ( 0.000 -2.833 -0.944) 2.986 6.101 ( -0.000 8.110 3.765) 8.941 6.376 ( -0.000 -0.044 -2.292) 2.292 6.516 ( -0.000 6.174 -3.929) 7.318 7.354 ( -0.000 3.357 1.981) 3.898 7.448 ( -0.000 5.660 -4.109) 6.994 7.628 ( -0.000 7.129 3.096) 7.772 9.157 ( -0.000 1.953 -1.782) 2.643 10.035 ( -0.000 22.839 -4.404) 23.260 11.281 ( 0.000 -34.104 0.931) 34.117 19.711 ( 0.000 -2.036 0.522) 2.102 19.811 ( -0.000 1.559 -1.433) 2.118 19.931 ( -0.000 1.441 -0.082) 1.444 19.980 ( -0.000 5.093 0.178) 5.097 25.053 ( 0.000 -2.806 1.322) 3.102 25.270 ( 0.000 -2.036 -0.122) 2.040 32.535 ( 0.000 -3.693 0.063) 3.694 32.558 ( 0.000 -3.168 -0.366) 3.189 41.726 ( 0.000 -8.513 5.175) 9.963 42.599 ( -0.000 21.803 7.645) 23.104 42.805 ( -0.000 4.535 -5.850) 7.402 43.532 ( -0.000 36.059 -25.227) 44.007 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 6.824 20.005 8.967) 22.960 2.509 ( 10.919 14.834 15.867) 24.311 2.957 ( 6.799 22.579 0.666) 23.590 3.125 ( 5.908 7.642 -4.389) 10.609 3.409 ( 6.731 22.819 4.620) 24.235 4.056 ( 1.066 8.040 4.774) 9.411 4.484 ( -2.475 2.036 -0.862) 3.319 4.626 ( -2.869 13.112 -3.160) 13.789 5.188 ( 3.552 5.142 -1.988) 6.558 5.359 ( 5.685 -2.161 -3.777) 7.159 5.608 ( -5.983 -7.077 -1.536) 9.394 5.958 ( 5.174 -4.714 0.195) 7.002 6.156 ( -5.725 9.111 2.656) 11.083 6.388 ( 2.680 0.369 -0.543) 2.759 6.617 ( 6.726 6.344 -1.680) 9.397 7.427 ( 4.093 3.260 1.507) 5.445 7.529 ( 4.825 7.886 -4.811) 10.422 7.655 ( -6.677 7.866 1.558) 10.435 9.154 ( -1.155 2.488 -0.987) 2.915 10.211 ( 1.363 10.393 -1.781) 10.632 10.932 ( -3.706 -32.649 -0.468) 32.862 19.714 ( 2.061 -1.333 0.573) 2.521 19.806 ( -1.721 2.612 -1.379) 3.419 19.967 ( 2.493 1.312 -0.241) 2.827 20.020 ( -0.744 4.486 0.198) 4.551 25.028 ( -0.877 -2.133 1.354) 2.675 25.246 ( -0.562 -1.647 -0.389) 1.783 32.493 ( -1.185 -2.886 -0.039) 3.120 32.518 ( -0.983 -3.110 -0.442) 3.292 41.756 ( 10.104 -8.776 6.143) 14.725 42.458 ( -22.636 11.870 -6.707) 26.424 43.034 ( 5.042 16.764 9.056) 19.710 43.939 ( 22.506 24.962 -22.907) 40.673 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 2.340 7.150 11.877) 14.059 2.968 ( 11.772 14.273 5.131) 19.200 3.140 ( 1.922 13.987 -1.933) 14.250 3.444 ( 14.692 20.125 2.998) 25.097 3.574 ( -0.561 0.276 -0.013) 0.625 4.299 ( 12.837 12.666 5.759) 18.931 4.502 ( 2.490 1.762 -0.571) 3.103 4.561 ( -10.444 5.916 -3.685) 12.555 5.311 ( -0.524 -4.922 -2.883) 5.729 5.437 ( 0.960 5.655 -1.359) 5.894 5.555 ( 8.434 11.992 -1.867) 14.780 5.996 ( 4.155 -4.384 -0.211) 6.044 6.132 ( -2.579 3.825 1.662) 4.903 6.499 ( 6.883 6.266 -0.592) 9.327 6.792 ( 6.183 7.758 -0.457) 9.932 7.491 ( -0.571 -4.292 2.977) 5.255 7.605 ( -4.256 6.427 -0.133) 7.709 7.721 ( 9.233 12.941 -4.488) 16.519 9.167 ( -0.230 2.697 0.512) 2.755 10.192 ( -9.895 -1.827 3.526) 10.662 10.592 ( -1.066 -26.805 -6.456) 27.592 19.748 ( 1.737 -0.282 0.188) 1.770 19.809 ( 0.343 3.269 -0.952) 3.422 20.012 ( 0.225 2.405 -0.069) 2.416 20.051 ( 1.558 1.703 0.189) 2.316 25.001 ( -1.106 -1.532 1.132) 2.202 25.223 ( -0.496 -0.950 -0.487) 1.177 32.448 ( -1.602 -1.957 0.264) 2.543 32.471 ( -1.017 -2.508 -0.721) 2.801 41.923 ( 15.650 -9.744 7.531) 19.914 42.193 ( -18.132 12.437 -8.352) 23.520 43.255 ( -3.497 15.833 12.974) 20.767 44.395 ( 23.822 13.537 -20.647) 34.308 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 3.491 2.299 8.859) 9.796 3.107 ( 2.537 2.905 -0.950) 3.972 3.360 ( -4.970 11.935 3.553) 13.408 3.458 ( -1.788 0.562 1.980) 2.726 3.921 ( 10.708 23.200 -0.117) 25.552 4.378 ( -3.392 -2.379 3.487) 5.416 4.568 ( 1.025 4.933 -1.004) 5.137 4.713 ( 11.595 11.482 1.241) 16.365 5.144 ( -0.400 -12.681 -5.558) 13.851 5.581 ( 3.772 12.313 -0.392) 12.884 5.743 ( 4.593 -0.191 1.630) 4.878 5.963 ( -9.364 12.016 -1.752) 15.335 6.319 ( 22.167 -1.913 -0.239) 22.251 6.667 ( 3.591 7.926 1.195) 8.784 6.923 ( 1.010 8.145 -2.520) 8.585 7.379 ( -4.313 -6.178 1.021) 7.604 7.634 ( -0.706 3.092 2.115) 3.812 8.024 ( 14.146 15.520 -3.177) 21.238 9.194 ( 0.050 1.896 1.435) 2.378 9.929 ( -17.228 -7.755 3.684) 19.248 10.332 ( 0.590 -22.394 -8.147) 23.837 19.750 ( -1.553 1.710 -0.494) 2.362 19.879 ( 4.749 2.004 -0.256) 5.161 20.019 ( -1.822 2.637 0.498) 3.244 20.097 ( 2.930 -0.554 -0.115) 2.984 24.975 ( -1.079 -1.180 0.805) 1.790 25.210 ( -0.115 -0.297 -0.381) 0.497 32.409 ( -1.594 -1.345 0.665) 2.190 32.436 ( -0.262 -1.730 -0.891) 1.963 41.933 ( -11.210 5.596 -6.663) 14.190 42.229 ( 14.384 -0.660 7.505) 16.237 43.335 ( -9.354 9.965 13.358) 19.111 44.750 ( 20.541 5.874 -17.633) 27.701 ======================= Grid point 510 (163/189) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 3.090 -0.006 8.676) 9.210 3.163 ( -3.362 -6.767 -0.241) 7.560 3.173 ( -3.225 -2.653 -1.227) 4.353 3.547 ( -7.297 12.949 6.822) 16.354 4.151 ( -3.903 22.297 -5.265) 23.240 4.438 ( 1.306 0.607 8.039) 8.167 4.582 ( -0.261 3.944 -2.865) 4.881 4.893 ( 3.279 2.216 4.236) 5.797 5.109 ( 8.910 -6.540 -6.761) 12.956 5.660 ( -5.881 5.588 -1.525) 8.255 5.793 ( 4.967 -0.790 0.579) 5.062 6.026 ( 2.839 12.573 2.221) 13.080 6.624 ( 9.491 -3.504 0.608) 10.135 6.740 ( 2.034 6.393 0.369) 6.718 6.938 ( -0.400 -0.394 -6.296) 6.321 7.345 ( 1.690 4.264 1.677) 4.884 7.624 ( -5.760 2.752 2.113) 6.724 8.424 ( 18.850 14.052 -1.851) 23.584 9.219 ( 0.847 1.273 1.610) 2.220 9.571 ( -17.215 -10.568 0.626) 20.210 10.116 ( 0.773 -17.748 -6.410) 18.886 19.737 ( -1.974 2.267 -0.576) 3.060 19.970 ( 3.580 1.402 -0.074) 3.846 20.021 ( -0.148 1.697 0.737) 1.856 20.123 ( 1.524 -1.756 -0.336) 2.349 24.952 ( -0.924 -0.971 0.657) 1.493 25.209 ( 0.249 0.111 -0.295) 0.401 32.381 ( -1.023 -0.764 0.768) 1.490 32.421 ( 0.600 -1.238 -0.815) 1.599 41.786 ( -11.099 9.597 -7.233) 16.358 42.513 ( 15.559 -1.248 10.022) 18.550 43.273 ( -12.444 1.854 12.071) 17.435 45.004 ( 16.819 2.111 -15.911) 23.248 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -0.000 25.830 1.541) 25.876 2.647 ( 0.000 7.891 18.154) 19.795 3.058 ( -0.000 19.332 2.751) 19.527 3.110 ( -0.000 3.075 -5.776) 6.544 3.622 ( -0.000 19.729 0.541) 19.736 4.134 ( -0.000 11.901 4.105) 12.589 4.440 ( 0.000 -6.685 -1.685) 6.894 4.858 ( -0.000 19.286 -10.125) 21.782 5.184 ( 0.000 0.126 1.393) 1.398 5.264 ( -0.000 6.185 0.889) 6.249 5.625 ( 0.000 -4.410 1.301) 4.598 5.875 ( -0.000 -0.103 -4.563) 4.564 6.324 ( -0.000 11.629 3.105) 12.036 6.402 ( 0.000 1.369 5.133) 5.312 6.568 ( -0.000 2.387 -2.255) 3.284 7.417 ( -0.000 2.136 -0.188) 2.144 7.567 ( -0.000 12.914 -4.391) 13.640 7.777 ( -0.000 4.703 -0.219) 4.708 9.175 ( -0.000 2.072 -2.192) 3.016 10.240 ( -0.000 0.804 -6.364) 6.414 10.700 ( 0.000 -27.301 8.781) 28.678 19.687 ( 0.000 -1.313 0.873) 1.577 19.846 ( -0.000 3.787 -1.431) 4.048 19.951 ( -0.000 0.790 -0.200) 0.815 20.072 ( -0.000 4.577 -0.146) 4.579 25.021 ( 0.000 -1.969 0.951) 2.187 25.233 ( 0.000 -1.535 -0.375) 1.580 32.476 ( 0.000 -2.428 -0.237) 2.439 32.494 ( 0.000 -3.254 -0.205) 3.260 41.623 ( 0.000 -7.800 5.442) 9.511 42.821 ( -0.000 3.261 -5.977) 6.808 42.995 ( -0.000 17.358 -6.544) 18.550 43.988 ( -0.000 30.094 -3.480) 30.295 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -3.494 10.730 5.881) 12.725 2.911 ( 13.555 16.075 5.018) 21.618 3.126 ( 4.180 3.817 -4.838) 7.446 3.402 ( 15.985 17.124 5.374) 24.034 3.637 ( -5.994 -2.014 -3.028) 7.011 4.362 ( 2.007 20.388 5.254) 21.149 4.432 ( 4.837 0.713 -0.427) 4.908 4.748 ( -10.275 1.479 -9.369) 13.983 5.271 ( 3.566 -7.196 0.182) 8.034 5.415 ( 3.497 9.444 -2.133) 10.294 5.602 ( 2.076 12.716 1.514) 12.972 5.883 ( -0.497 -0.815 -0.901) 1.313 6.330 ( -7.458 9.051 1.421) 11.814 6.505 ( 2.399 9.935 3.518) 10.809 6.690 ( 10.968 1.463 0.632) 11.083 7.445 ( 1.659 -1.403 -0.136) 2.177 7.697 ( 0.930 7.112 -4.577) 8.508 7.772 ( -1.966 11.055 -0.344) 11.234 9.186 ( 0.321 2.166 -1.528) 2.670 10.158 ( 2.975 -15.585 -7.340) 17.482 10.490 ( -9.084 -14.551 10.934) 20.343 19.701 ( 2.326 -0.915 0.829) 2.633 19.863 ( -1.679 4.671 -0.989) 5.061 19.980 ( 2.596 0.484 -0.422) 2.675 20.098 ( -1.456 3.575 -0.056) 3.860 25.003 ( -0.520 -1.655 0.524) 1.812 25.218 ( -0.231 -0.959 -0.284) 1.027 32.449 ( -0.588 -1.847 -0.543) 2.013 32.459 ( -0.829 -2.593 0.195) 2.729 41.663 ( 9.845 -7.540 6.275) 13.898 42.575 ( -19.886 9.850 -9.753) 24.240 43.292 ( 14.360 6.875 -5.934) 16.991 44.298 ( 4.363 24.682 3.412) 25.296 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -1.444 5.423 2.750) 6.249 3.101 ( 1.976 4.188 -0.400) 4.648 3.393 ( 5.676 -3.197 -1.870) 6.777 3.489 ( 3.673 6.386 -1.326) 7.485 3.877 ( 18.674 16.483 5.671) 25.546 4.430 ( -3.372 1.008 -3.466) 4.940 4.555 ( 3.903 2.423 0.997) 4.701 4.738 ( 2.774 17.308 -1.690) 17.611 5.101 ( -9.722 -10.073 -0.256) 14.002 5.584 ( 8.329 9.455 -0.801) 12.626 5.767 ( -5.664 3.777 -1.735) 7.025 5.937 ( 18.260 -0.237 1.758) 18.346 6.310 ( -11.476 16.153 1.054) 19.843 6.675 ( 5.414 9.551 0.250) 10.981 6.889 ( 9.164 1.548 1.997) 9.506 7.389 ( -3.819 -6.022 -0.381) 7.141 7.667 ( -0.336 1.520 -2.183) 2.682 8.005 ( 7.346 19.806 -0.608) 21.134 9.208 ( 0.536 1.475 -0.448) 1.632 9.991 ( 0.769 -20.880 -4.915) 21.464 10.220 ( -14.568 -10.573 7.086) 19.345 19.743 ( 2.821 -0.606 0.515) 2.931 19.881 ( -0.859 5.008 -0.478) 5.104 20.026 ( 2.916 0.017 -0.488) 2.956 20.095 ( -2.081 2.175 0.212) 3.018 24.980 ( -0.716 -1.384 0.139) 1.564 25.208 ( -0.124 -0.308 -0.102) 0.347 32.420 ( -0.365 -1.936 -0.868) 2.153 32.425 ( -1.402 -1.171 0.709) 1.959 41.831 ( 14.078 -7.391 6.939) 17.348 42.356 ( -14.024 13.818 -9.417) 21.824 43.464 ( 5.475 -0.162 -2.793) 6.148 44.586 ( 5.072 16.961 3.199) 17.990 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 2.000 3.464 -0.000) 4.000 3.155 ( -1.560 -2.702 -0.000) 3.120 3.195 ( -4.571 -7.917 -0.000) 9.142 3.694 ( 2.167 3.754 -0.000) 4.335 4.315 ( 10.646 18.439 -0.000) 21.292 4.430 ( 4.039 6.996 0.000) 8.079 4.656 ( 2.314 4.009 -0.000) 4.629 4.848 ( -6.907 -11.963 -0.000) 13.814 4.930 ( 5.040 8.730 -0.000) 10.080 5.684 ( -1.972 -3.416 -0.000) 3.945 5.806 ( 5.970 10.341 -0.000) 11.940 6.253 ( 3.933 6.811 -0.000) 7.865 6.300 ( 6.299 10.910 -0.000) 12.598 6.815 ( 2.635 4.564 -0.000) 5.271 6.913 ( -4.772 -8.266 -0.000) 9.545 7.363 ( 3.885 6.728 -0.000) 7.769 7.689 ( 0.670 1.161 -0.000) 1.340 8.329 ( 10.535 18.247 -0.000) 21.070 9.223 ( 0.381 0.660 -0.000) 0.762 9.707 ( -11.399 -19.744 -0.000) 22.798 9.962 ( -5.992 -10.379 -0.000) 11.985 19.770 ( 0.322 0.558 -0.000) 0.645 19.931 ( 2.077 3.597 -0.000) 4.154 20.060 ( 0.434 0.752 -0.000) 0.868 20.081 ( -0.260 -0.451 -0.000) 0.521 24.957 ( -0.676 -1.171 -0.000) 1.352 25.207 ( 0.077 0.133 -0.000) 0.154 32.397 ( -0.692 -1.199 -0.000) 1.384 32.398 ( -0.489 -0.847 0.000) 0.978 41.949 ( 0.289 0.501 -0.000) 0.578 42.360 ( 5.355 9.275 -0.000) 10.710 43.439 ( -3.724 -6.451 -0.000) 7.449 44.811 ( 6.270 10.860 -0.000) 12.540 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( -0.000 19.864 -4.930) 20.467 2.888 ( 0.000 4.846 5.072) 7.015 3.110 ( -0.000 2.776 -1.729) 3.271 3.399 ( -0.000 11.547 6.108) 13.062 3.609 ( 0.000 -10.057 -5.628) 11.525 4.371 ( -0.000 1.428 -0.195) 1.442 4.637 ( -0.000 23.841 4.986) 24.356 4.785 ( -0.000 1.002 -13.130) 13.168 5.121 ( 0.000 -10.095 2.597) 10.423 5.497 ( -0.000 5.330 1.526) 5.545 5.653 ( -0.000 7.091 0.774) 7.133 5.981 ( -0.000 13.315 -4.115) 13.936 6.515 ( -0.000 0.391 -0.187) 0.434 6.548 ( 0.000 8.774 8.364) 12.122 6.614 ( -0.000 9.198 2.055) 9.424 7.420 ( -0.000 -0.873 -1.718) 1.927 7.693 ( -0.000 -2.802 -5.374) 6.061 7.923 ( -0.000 19.478 0.801) 19.495 9.191 ( -0.000 2.075 -2.536) 3.276 9.928 ( 0.000 -19.705 -4.310) 20.170 10.520 ( 0.000 -10.615 11.926) 15.966 19.678 ( 0.000 -0.749 0.943) 1.204 19.924 ( -0.000 5.662 -0.746) 5.711 19.956 ( -0.000 0.115 -0.419) 0.434 20.139 ( -0.000 2.681 -0.190) 2.688 24.993 ( 0.000 -1.610 -0.077) 1.612 25.211 ( 0.000 -0.599 -0.038) 0.600 32.429 ( 0.000 -2.281 -0.856) 2.436 32.451 ( 0.000 -1.288 0.633) 1.435 41.546 ( 0.000 -6.181 5.851) 8.510 42.813 ( -0.000 2.324 -6.321) 6.734 43.101 ( -0.000 8.787 -19.441) 21.335 44.577 ( -0.000 24.388 16.861) 29.649 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( -6.152 5.713 -4.610) 9.578 3.127 ( -0.622 4.326 1.427) 4.597 3.200 ( 15.835 8.282 -5.530) 18.706 3.436 ( -2.489 -12.422 -4.599) 13.478 3.699 ( 19.035 8.566 6.484) 21.858 4.445 ( 3.459 6.274 -0.279) 7.170 4.583 ( -7.966 -2.367 -5.663) 10.056 4.867 ( -1.559 12.694 -3.210) 13.186 5.132 ( 4.881 -5.404 4.334) 8.474 5.519 ( 0.857 4.596 1.068) 4.795 5.802 ( 5.939 8.971 1.813) 10.911 5.944 ( -10.890 5.502 -4.039) 12.853 6.579 ( 5.555 7.929 0.122) 9.682 6.655 ( -2.490 5.476 1.383) 6.173 6.783 ( 7.062 8.133 7.170) 12.940 7.386 ( -1.691 -3.374 -1.834) 4.196 7.621 ( 1.278 -5.506 -4.469) 7.206 8.151 ( 1.499 24.932 1.438) 25.018 9.204 ( 0.692 1.626 -2.155) 2.787 9.748 ( 1.623 -19.521 -2.195) 19.711 10.387 ( -10.382 -10.694 9.938) 17.914 19.695 ( 2.221 -0.638 0.823) 2.453 19.948 ( -1.021 3.580 -0.140) 3.726 19.986 ( 1.540 2.084 -0.724) 2.690 20.145 ( -1.527 1.470 0.016) 2.120 24.974 ( -0.309 -1.468 -0.521) 1.588 25.207 ( -0.063 -0.104 0.193) 0.228 32.403 ( -0.271 -1.849 -0.804) 2.035 32.439 ( -0.837 -0.563 0.731) 1.246 41.602 ( 9.528 -5.556 6.556) 12.831 42.648 ( -13.556 8.529 -10.274) 19.028 43.220 ( 13.099 -1.317 -15.779) 20.550 44.844 ( -3.891 19.915 19.042) 27.827 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -0.000 -1.606 -13.894) 13.987 3.087 ( -0.000 8.690 -8.095) 11.876 3.209 ( -0.000 5.791 2.684) 6.382 3.310 ( 0.000 -14.748 -1.333) 14.809 3.606 ( 0.000 6.120 5.466) 8.205 4.488 ( 0.000 6.350 5.333) 8.292 4.618 ( -0.000 0.291 -12.946) 12.950 4.897 ( 0.000 -13.489 0.615) 13.503 5.033 ( -0.000 9.226 0.518) 9.240 5.631 ( -0.000 7.159 4.137) 8.269 5.861 ( -0.000 13.397 -0.307) 13.400 6.095 ( -0.000 4.226 -4.587) 6.237 6.430 ( 0.000 -7.405 0.786) 7.446 6.835 ( -0.000 9.211 2.724) 9.605 6.838 ( 0.000 9.849 8.811) 13.215 7.356 ( 0.000 -3.389 -2.665) 4.312 7.524 ( 0.000 -6.699 -3.759) 7.682 8.401 ( -0.000 28.028 2.028) 28.101 9.201 ( -0.000 1.703 -2.773) 3.254 9.559 ( 0.000 -18.155 -0.062) 18.155 10.421 ( 0.000 -10.579 9.926) 14.507 19.675 ( 0.000 -0.529 0.839) 0.991 19.949 ( -0.000 -0.216 -0.668) 0.702 20.031 ( -0.000 5.815 0.031) 5.815 20.166 ( -0.000 0.233 0.081) 0.246 24.959 ( 0.000 -1.418 -0.980) 1.724 25.210 ( 0.000 0.208 0.409) 0.459 32.386 ( 0.000 -1.341 -0.762) 1.542 32.447 ( 0.000 -0.025 0.791) 0.791 41.508 ( 0.000 -4.161 6.245) 7.504 42.790 ( -0.000 2.054 -6.719) 7.026 42.998 ( -0.000 2.196 -21.226) 21.340 45.159 ( 0.000 16.944 22.663) 28.297 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 -0.000 20.941) 20.941 1.204 ( 0.000 -0.000 20.941) 20.941 2.200 ( -0.000 0.000 -7.059) 7.059 2.200 ( -0.000 0.000 -7.059) 7.059 2.499 ( 0.000 -0.000 36.696) 36.696 3.693 ( 0.000 -0.000 3.087) 3.087 4.747 ( 0.000 -0.000 0.973) 0.973 4.873 ( -0.000 0.000 -27.027) 27.027 5.331 ( 0.000 -0.000 -0.343) 0.343 5.331 ( -0.000 0.000 -0.343) 0.343 5.777 ( -0.000 0.000 -0.668) 0.668 6.020 ( 0.000 -0.000 3.044) 3.044 6.020 ( 0.000 -0.000 3.044) 3.044 6.296 ( -0.000 0.000 -5.923) 5.923 6.296 ( -0.000 0.000 -5.923) 5.923 7.263 ( 0.000 -0.000 4.266) 4.266 7.263 ( 0.000 -0.000 4.266) 4.266 7.864 ( 0.000 -0.000 2.550) 2.550 9.101 ( -0.000 0.000 -1.173) 1.173 9.101 ( -0.000 0.000 -1.173) 1.173 12.026 ( -0.000 0.000 -0.034) 0.034 19.794 ( 0.000 0.000 -0.443) 0.443 19.794 ( -0.000 -0.000 -0.443) 0.443 19.869 ( 0.000 -0.000 0.293) 0.293 19.869 ( -0.000 -0.000 0.293) 0.293 25.133 ( -0.000 0.000 -0.994) 0.994 25.332 ( 0.000 -0.000 0.375) 0.375 32.624 ( 0.000 -0.000 0.245) 0.245 32.650 ( -0.000 0.000 -0.210) 0.210 41.990 ( 0.000 -0.000 6.573) 6.573 41.990 ( 0.000 -0.000 6.573) 6.573 42.624 ( -0.000 0.000 -7.341) 7.341 42.624 ( -0.000 0.000 -7.341) 7.341 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 17.096 9.870 17.250) 26.216 1.741 ( 34.351 19.833 14.230) 42.140 2.242 ( 10.330 5.964 -7.185) 13.925 2.459 ( 20.183 11.653 -1.800) 23.375 2.774 ( 11.463 6.618 25.562) 28.786 3.695 ( -1.131 -0.653 5.583) 5.734 4.607 ( -9.757 -5.633 -19.249) 22.304 4.714 ( -3.591 -2.073 0.633) 4.194 5.265 ( -2.364 -1.365 -0.188) 2.736 5.358 ( -0.297 -0.171 -1.963) 1.993 5.779 ( -0.159 -0.092 -0.464) 0.499 5.970 ( -4.010 -2.315 2.259) 5.152 6.068 ( 2.516 1.452 1.137) 3.120 6.313 ( 5.494 3.172 -3.691) 7.339 6.429 ( 9.990 5.768 -7.716) 13.878 7.290 ( 0.890 0.514 3.865) 3.999 7.326 ( 2.796 1.614 3.952) 5.104 7.656 ( -11.601 -6.698 1.634) 13.495 9.081 ( -0.381 -0.220 -0.370) 0.574 9.524 ( 28.440 16.420 -4.220) 33.110 11.846 ( -15.155 -8.750 -1.085) 17.533 19.764 ( -0.964 -0.556 0.160) 1.124 19.788 ( -1.277 -0.737 -0.952) 1.755 19.880 ( 1.393 0.804 0.649) 1.735 19.915 ( 2.945 1.700 -0.087) 3.402 25.104 ( -2.104 -1.215 -0.008) 2.429 25.311 ( -1.798 -1.038 0.374) 2.110 32.602 ( -2.273 -1.312 0.293) 2.641 32.614 ( -2.614 -1.509 -0.227) 3.026 42.002 ( 3.322 1.918 8.223) 9.073 42.075 ( -0.585 -0.338 3.673) 3.735 42.510 ( -1.601 -0.924 -4.236) 4.622 43.096 ( 37.598 21.707 -17.122) 46.668 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 18.405 10.626 9.547) 23.298 2.412 ( 15.719 9.075 19.771) 26.839 2.576 ( 21.935 12.664 -2.105) 25.416 2.967 ( 24.614 14.211 -9.087) 29.840 3.172 ( 17.890 10.329 8.018) 22.159 3.777 ( 6.564 3.790 12.675) 14.768 4.415 ( -0.326 -0.188 -5.777) 5.789 4.596 ( -7.190 -4.151 -0.425) 8.313 5.239 ( 1.118 0.645 -2.217) 2.566 5.334 ( 0.426 0.246 -4.942) 4.967 5.738 ( -3.711 -2.142 -0.010) 4.285 5.877 ( -4.780 -2.760 0.704) 5.564 6.177 ( 7.337 4.236 0.605) 8.494 6.441 ( 6.674 3.853 -2.076) 7.982 6.552 ( 4.016 2.318 -6.447) 7.941 7.333 ( 1.381 0.797 3.247) 3.618 7.386 ( 3.292 1.901 0.672) 3.860 7.589 ( 3.557 2.054 1.997) 4.567 9.083 ( 0.510 0.294 0.781) 0.978 10.001 ( 14.648 8.457 -1.693) 16.999 11.438 ( -19.443 -11.225 -6.111) 23.267 19.751 ( -1.545 -0.892 -0.982) 2.036 19.766 ( 1.255 0.724 0.236) 1.468 19.914 ( 1.313 0.758 0.591) 1.627 19.988 ( 3.776 2.180 -0.083) 4.361 25.056 ( -2.387 -1.378 1.076) 2.959 25.270 ( -1.882 -1.086 -0.058) 2.174 32.534 ( -3.434 -1.983 0.087) 3.966 32.558 ( -2.641 -1.525 -0.325) 3.067 41.988 ( -6.449 -3.724 -3.640) 8.289 42.204 ( 9.974 5.758 12.953) 17.332 42.531 ( 2.818 1.627 3.382) 4.693 43.845 ( 38.878 22.446 -26.232) 51.995 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 17.338 10.010 5.798) 20.843 2.687 ( 3.775 2.180 19.607) 20.086 3.079 ( 23.134 13.357 0.005) 26.713 3.132 ( 2.594 1.498 -9.484) 9.946 3.590 ( 6.996 4.039 1.524) 8.221 4.132 ( 25.130 14.509 3.193) 29.193 4.433 ( -6.490 -3.747 -1.156) 7.582 4.513 ( 3.237 1.869 11.733) 12.314 5.324 ( -0.159 -0.092 -6.658) 6.660 5.349 ( 11.137 6.430 -4.137) 13.509 5.641 ( -3.978 -2.297 0.488) 4.619 5.808 ( -0.298 -0.172 -0.130) 0.367 6.369 ( 9.665 5.580 0.151) 11.162 6.549 ( 3.938 2.274 -1.634) 4.832 6.579 ( 2.812 1.623 -5.799) 6.646 7.375 ( 0.939 0.542 2.799) 3.002 7.522 ( 7.488 4.323 1.151) 8.722 7.714 ( 6.860 3.961 0.799) 7.962 9.109 ( 1.286 0.742 1.891) 2.404 10.097 ( -5.589 -3.227 3.800) 7.489 11.022 ( -14.139 -8.163 -12.584) 20.613 19.717 ( -1.180 -0.681 -0.994) 1.686 19.821 ( 3.711 2.143 0.076) 4.286 19.938 ( 0.645 0.372 0.598) 0.955 20.070 ( 3.663 2.115 0.043) 4.230 25.015 ( -1.956 -1.129 1.310) 2.610 25.234 ( -1.246 -0.719 -0.426) 1.500 32.468 ( -2.751 -1.588 0.230) 3.185 32.501 ( -2.240 -1.293 -0.631) 2.662 41.811 ( -7.036 -4.062 -6.541) 10.431 42.511 ( 10.719 6.189 17.890) 21.754 42.623 ( 2.966 1.713 6.614) 7.448 44.460 ( 30.177 17.423 -27.040) 44.106 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 15.029 8.677 6.700) 18.602 2.814 ( 0.975 0.563 14.449) 14.493 3.145 ( 2.784 1.607 -5.359) 6.249 3.472 ( 12.499 7.216 -3.890) 14.947 3.544 ( -8.704 -5.025 2.950) 10.474 4.370 ( 2.324 1.342 -0.272) 2.698 4.572 ( -1.794 -1.036 13.531) 13.689 4.703 ( 23.350 13.481 -1.980) 27.035 5.182 ( -10.340 -5.970 -5.583) 13.180 5.532 ( 5.286 3.052 -2.753) 6.695 5.661 ( 6.106 3.526 -0.148) 7.053 5.932 ( 9.488 5.478 2.511) 11.240 6.508 ( 0.251 0.145 0.377) 0.475 6.649 ( 8.811 5.087 -2.559) 10.491 6.668 ( 8.942 5.163 -8.038) 13.085 7.389 ( -0.995 -0.575 2.565) 2.811 7.606 ( -2.496 -1.441 6.534) 7.141 7.955 ( 17.346 10.015 -3.788) 20.385 9.153 ( 1.681 0.970 2.611) 3.253 9.876 ( -14.360 -8.291 3.017) 16.853 10.700 ( -11.051 -6.381 -12.657) 17.973 19.692 ( -0.734 -0.424 -0.957) 1.278 19.919 ( 5.170 2.985 -0.028) 5.970 19.948 ( 0.041 0.024 0.640) 0.641 20.137 ( 2.363 1.364 0.098) 2.730 24.984 ( -1.554 -0.897 1.113) 2.111 25.214 ( -0.436 -0.252 -0.458) 0.680 32.418 ( -2.078 -1.200 0.628) 2.480 32.462 ( -1.047 -0.604 -0.843) 1.474 41.640 ( -5.655 -3.265 -6.939) 9.529 42.713 ( 2.255 1.302 7.282) 7.734 42.800 ( 7.054 4.073 20.628) 22.178 44.887 ( 21.515 12.421 -24.564) 34.937 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 16.738 15.271) 22.658 1.843 ( -0.000 34.655 15.833) 38.100 2.312 ( -0.000 16.146 -7.515) 17.809 2.353 ( -0.000 24.369 -6.139) 25.130 2.905 ( 0.000 10.410 23.498) 25.701 3.750 ( 0.000 3.236 8.343) 8.948 4.506 ( -0.000 -8.207 -22.064) 23.541 4.717 ( 0.000 -4.305 0.464) 4.330 5.234 ( 0.000 -5.594 1.135) 5.708 5.389 ( -0.000 1.803 -2.495) 3.079 5.776 ( 0.000 -0.378 -0.301) 0.483 6.015 ( 0.000 -3.572 0.659) 3.632 6.034 ( 0.000 1.146 3.488) 3.671 6.304 ( -0.000 5.371 -4.353) 6.913 6.353 ( -0.000 8.040 -4.957) 9.446 7.316 ( 0.000 1.777 2.564) 3.119 7.354 ( -0.000 5.360 2.682) 5.994 7.672 ( 0.000 -12.621 1.342) 12.692 9.115 ( -0.000 1.557 -1.541) 2.191 9.477 ( -0.000 31.860 -2.622) 31.968 11.820 ( 0.000 -21.484 0.267) 21.485 19.755 ( 0.000 -2.272 0.375) 2.303 19.794 ( -0.000 -0.176 -1.060) 1.074 19.899 ( -0.000 1.789 -0.168) 1.797 19.900 ( -0.000 3.392 0.563) 3.438 25.104 ( 0.000 -2.049 -0.115) 2.052 25.312 ( 0.000 -2.103 0.326) 2.128 32.603 ( 0.000 -2.598 0.279) 2.612 32.613 ( 0.000 -3.096 -0.205) 3.103 41.916 ( 0.000 -8.524 6.519) 10.731 42.253 ( -0.000 16.503 4.305) 17.055 42.671 ( -0.000 6.264 -7.144) 9.501 42.807 ( -0.000 28.219 -10.968) 30.276 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 15.182 19.590 10.109) 26.766 2.281 ( 12.909 21.087 10.041) 26.686 2.530 ( 7.537 23.002 1.286) 24.239 2.755 ( 18.700 23.684 -6.980) 30.973 3.135 ( 5.608 10.835 9.137) 15.242 3.869 ( 0.268 11.894 13.617) 18.082 4.350 ( 0.725 -0.598 -14.787) 14.817 4.645 ( -3.112 -5.329 -0.210) 6.175 5.187 ( -0.357 -4.323 -0.120) 4.339 5.360 ( -1.358 0.823 -3.681) 4.009 5.731 ( -3.046 -5.454 -0.388) 6.258 5.992 ( -2.304 2.536 0.746) 3.507 6.075 ( 3.545 -0.533 2.080) 4.144 6.370 ( 3.863 2.928 -1.482) 5.068 6.469 ( 6.302 6.842 -4.506) 10.336 7.335 ( 0.793 2.786 0.103) 2.898 7.453 ( 2.366 6.012 2.542) 6.943 7.558 ( -2.904 -1.465 0.630) 3.313 9.107 ( -1.194 2.130 -0.380) 2.471 9.885 ( 13.325 22.168 -2.572) 25.992 11.493 ( -11.082 -26.205 -1.074) 28.472 19.744 ( 0.940 -1.500 0.603) 1.870 19.773 ( -1.657 0.365 -1.139) 2.043 19.927 ( 0.496 2.897 0.224) 2.947 19.953 ( 2.404 2.551 0.030) 3.505 25.073 ( -1.247 -2.073 0.500) 2.470 25.282 ( -1.214 -2.094 0.095) 2.422 32.555 ( -2.038 -3.519 0.096) 4.068 32.571 ( -1.518 -2.669 -0.165) 3.075 41.960 ( 10.791 -8.772 7.599) 15.847 42.217 ( -16.129 9.283 -4.950) 19.257 42.727 ( -1.072 19.412 6.494) 20.497 43.355 ( 31.875 25.039 -18.517) 44.563 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 9.790 17.265 6.043) 20.747 2.754 ( 11.395 10.694 15.073) 21.712 2.846 ( 12.728 15.384 -4.807) 20.538 3.116 ( 7.963 14.107 -5.928) 17.250 3.459 ( 15.214 12.970 0.535) 20.000 4.051 ( 5.018 11.576 6.109) 14.018 4.468 ( 8.545 6.243 3.817) 11.250 4.524 ( -6.131 -2.211 -0.408) 6.530 5.207 ( 7.612 3.749 -3.527) 9.189 5.351 ( -0.918 4.115 -3.477) 5.465 5.595 ( -2.616 -9.976 -0.825) 10.346 5.952 ( -8.229 6.224 0.458) 10.328 6.181 ( 10.512 -3.961 1.110) 11.288 6.436 ( 5.413 -0.183 -2.887) 6.138 6.617 ( 3.575 9.503 -1.881) 10.327 7.438 ( 3.117 8.834 -0.729) 9.396 7.482 ( -2.088 5.957 1.041) 6.398 7.623 ( 7.693 -1.069 2.201) 8.072 9.122 ( 0.211 2.280 1.100) 2.540 10.157 ( 1.873 6.947 1.574) 7.366 11.034 ( -12.477 -23.405 -6.779) 27.375 19.739 ( -1.801 0.672 -0.926) 2.134 19.777 ( 2.950 0.312 0.409) 2.994 19.957 ( -0.402 2.938 0.416) 2.995 20.024 ( 3.854 1.619 -0.061) 4.181 25.036 ( -1.526 -1.672 0.765) 2.390 25.244 ( -1.232 -1.441 -0.197) 1.906 32.491 ( -2.224 -2.494 0.076) 3.342 32.516 ( -2.002 -2.496 -0.295) 3.213 41.970 ( -14.657 6.660 -7.299) 17.677 42.176 ( 17.949 -12.698 10.103) 24.196 42.942 ( -4.301 23.668 12.469) 27.095 43.988 ( 31.804 18.703 -21.886) 42.899 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 9.900 5.192 6.157) 12.762 2.977 ( 0.806 18.351 2.772) 18.576 3.054 ( 5.208 2.117 -0.532) 5.647 3.458 ( 9.940 23.480 -2.481) 25.617 3.595 ( -1.702 -5.287 2.360) 6.035 4.397 ( -0.079 3.912 -0.807) 3.995 4.450 ( 16.209 13.634 -1.752) 21.252 4.600 ( 2.926 -5.079 10.622) 12.132 5.299 ( -7.392 -1.508 -3.559) 8.342 5.408 ( 7.429 3.635 -1.049) 8.337 5.616 ( 10.167 7.583 -0.423) 12.691 5.881 ( -3.265 1.941 -0.439) 3.824 6.343 ( 14.189 -2.513 -0.393) 14.415 6.550 ( 7.494 4.228 -2.584) 8.984 6.715 ( -2.257 11.236 -2.699) 11.774 7.436 ( -3.663 1.514 1.112) 4.117 7.631 ( 3.129 2.031 4.838) 6.109 7.780 ( 12.662 6.750 -1.974) 14.484 9.161 ( 0.865 2.205 1.972) 3.082 10.068 ( -14.444 -4.989 5.211) 16.145 10.656 ( -5.379 -16.973 -11.967) 21.453 19.714 ( -1.908 1.361 -0.946) 2.527 19.853 ( 5.107 1.174 0.354) 5.252 19.972 ( -0.994 2.415 0.554) 2.670 20.097 ( 3.657 0.660 0.032) 3.716 25.002 ( -1.389 -1.290 0.628) 1.997 25.217 ( -0.649 -0.668 -0.239) 0.962 32.440 ( -1.893 -1.661 0.546) 2.577 32.466 ( -1.283 -1.788 -0.651) 2.295 41.764 ( -12.526 5.394 -7.597) 15.611 42.419 ( 18.793 -12.106 11.401) 25.094 43.123 ( -7.045 19.849 14.911) 25.806 44.493 ( 25.832 11.898 -20.745) 35.202 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -0.000 22.845 6.628) 23.787 2.542 ( 0.000 18.180 18.827) 26.172 2.636 ( -0.000 24.091 -4.451) 24.499 2.811 ( -0.000 27.738 -8.916) 29.136 3.233 ( -0.000 13.032 4.692) 13.851 4.049 ( 0.000 7.406 8.711) 11.433 4.322 ( -0.000 18.508 -12.873) 22.545 4.590 ( 0.000 -8.833 -0.365) 8.841 5.191 ( 0.000 -1.000 3.392) 3.536 5.306 ( -0.000 -5.343 -5.475) 7.651 5.731 ( 0.000 -4.619 0.587) 4.656 5.924 ( 0.000 -5.383 -1.927) 5.717 6.150 ( -0.000 7.915 2.764) 8.384 6.385 ( 0.000 3.837 3.340) 5.087 6.463 ( -0.000 7.214 -3.172) 7.880 7.372 ( -0.000 2.419 0.459) 2.462 7.406 ( -0.000 2.060 -1.828) 2.754 7.649 ( -0.000 6.943 -0.157) 6.944 9.129 ( -0.000 1.730 -2.019) 2.659 9.990 ( -0.000 22.395 -1.802) 22.467 11.310 ( 0.000 -31.965 2.938) 32.100 19.722 ( 0.000 -1.896 0.882) 2.091 19.791 ( -0.000 1.359 -1.304) 1.883 19.928 ( -0.000 1.480 -0.307) 1.511 19.983 ( -0.000 4.755 0.250) 4.761 25.065 ( 0.000 -2.253 0.394) 2.287 25.270 ( 0.000 -2.413 0.001) 2.413 32.535 ( 0.000 -3.906 0.007) 3.906 32.555 ( 0.000 -3.257 -0.090) 3.258 41.812 ( 0.000 -9.129 6.596) 11.263 42.600 ( -0.000 20.005 -8.532) 21.749 42.711 ( -0.000 5.159 -7.050) 8.737 43.359 ( -0.000 35.637 1.857) 35.685 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 11.252 19.247 1.739) 22.362 2.723 ( 5.089 13.031 12.467) 18.739 2.918 ( 2.768 18.377 -6.953) 19.843 3.074 ( 11.651 15.458 -1.072) 19.387 3.453 ( 4.139 19.422 1.534) 19.917 4.099 ( 2.684 5.461 0.135) 6.086 4.483 ( 0.159 4.232 0.549) 4.271 4.564 ( -0.226 9.532 -4.831) 10.688 5.176 ( 0.999 6.666 0.576) 6.765 5.326 ( 5.430 -0.533 -0.382) 5.469 5.593 ( -7.623 -7.369 -0.502) 10.615 5.958 ( 7.726 -4.750 -0.262) 9.073 6.183 ( -6.771 7.781 0.925) 10.356 6.400 ( -0.721 2.902 1.893) 3.539 6.603 ( 7.484 7.687 -0.023) 10.729 7.434 ( 4.704 6.789 -0.147) 8.261 7.492 ( 5.877 2.411 -0.836) 6.407 7.654 ( -6.345 6.724 -1.491) 9.365 9.139 ( 0.459 2.080 -1.171) 2.430 10.182 ( 4.217 8.953 -1.974) 10.091 10.958 ( -9.661 -28.673 3.735) 30.486 19.725 ( 1.825 -1.287 0.918) 2.415 19.788 ( -1.545 2.617 -1.092) 3.229 19.963 ( 2.521 1.236 -0.340) 2.828 20.022 ( -0.545 4.268 0.158) 4.305 25.040 ( -0.737 -2.016 0.276) 2.164 25.243 ( -0.646 -1.858 -0.087) 1.969 32.492 ( -1.097 -2.996 -0.084) 3.192 32.514 ( -1.123 -3.171 -0.031) 3.364 41.858 ( 11.695 -9.614 7.695) 16.983 42.329 ( -22.547 10.807 -10.387) 27.074 43.085 ( 17.050 12.477 -4.474) 21.596 43.785 ( 9.470 31.599 3.310) 33.153 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 3.828 6.630 -0.000) 7.655 3.003 ( 4.072 7.053 -0.000) 8.144 3.125 ( 11.094 19.215 -0.000) 22.187 3.465 ( 12.533 21.708 -0.000) 25.066 3.572 ( 0.262 0.453 -0.000) 0.524 4.350 ( 11.181 19.366 -0.000) 22.362 4.513 ( 0.680 1.178 -0.000) 1.360 4.513 ( -2.854 -4.944 0.000) 5.709 5.285 ( -3.475 -6.019 -0.000) 6.950 5.428 ( 3.686 6.384 -0.000) 7.372 5.542 ( 8.034 13.915 -0.000) 16.068 5.994 ( -0.969 -1.678 -0.000) 1.937 6.144 ( 0.661 1.145 -0.000) 1.323 6.495 ( 4.908 8.501 -0.000) 9.816 6.788 ( 4.992 8.647 -0.000) 9.985 7.517 ( -2.845 -4.929 -0.000) 5.691 7.599 ( 2.533 4.386 -0.000) 5.065 7.689 ( 7.590 13.147 -0.000) 15.181 9.171 ( 1.227 2.125 -0.000) 2.453 10.221 ( -2.449 -4.242 -0.000) 4.898 10.541 ( -12.547 -21.732 -0.000) 25.094 19.750 ( 0.244 0.422 -0.000) 0.488 19.802 ( 1.564 2.709 -0.000) 3.128 20.011 ( 1.093 1.893 -0.000) 2.186 20.052 ( 1.126 1.950 -0.000) 2.251 25.009 ( -0.956 -1.656 -0.000) 1.912 25.219 ( -0.558 -0.966 -0.000) 1.116 32.450 ( -1.100 -1.906 -0.000) 2.200 32.465 ( -1.493 -2.586 0.000) 2.986 42.015 ( -2.074 -3.593 -0.000) 4.149 42.094 ( 2.443 4.231 0.000) 4.886 43.366 ( 5.867 10.163 -0.000) 11.735 44.229 ( 12.737 22.060 -0.000) 25.473 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -0.000 21.837 -1.700) 21.903 2.844 ( 0.000 3.412 3.952) 5.221 3.026 ( -0.000 6.344 -1.260) 6.467 3.078 ( -0.000 24.066 0.402) 24.069 3.612 ( -0.000 12.236 -1.475) 12.325 4.163 ( -0.000 19.272 -0.371) 19.276 4.425 ( 0.000 -7.230 -0.238) 7.234 4.691 ( -0.000 10.738 -12.450) 16.441 5.235 ( 0.000 -0.465 5.235) 5.255 5.293 ( -0.000 12.316 3.200) 12.725 5.639 ( 0.000 -4.378 0.595) 4.418 5.824 ( -0.000 -0.636 -2.347) 2.431 6.359 ( -0.000 11.510 1.656) 11.628 6.489 ( 0.000 2.631 6.471) 6.986 6.543 ( -0.000 3.435 -0.866) 3.542 7.405 ( -0.000 1.421 -1.448) 2.028 7.530 ( -0.000 12.065 -0.976) 12.104 7.751 ( -0.000 4.678 -2.979) 5.545 9.141 ( -0.000 1.905 -2.397) 3.062 10.158 ( -0.000 -3.705 -4.845) 6.099 10.848 ( 0.000 -20.638 11.395) 23.575 19.701 ( 0.000 -1.320 1.060) 1.692 19.828 ( -0.000 3.968 -0.910) 4.071 19.946 ( -0.000 0.780 -0.443) 0.897 20.071 ( -0.000 4.370 -0.060) 4.370 25.026 ( 0.000 -2.054 -0.193) 2.063 25.231 ( 0.000 -1.595 0.033) 1.595 32.472 ( 0.000 -2.818 -0.303) 2.835 32.495 ( 0.000 -2.968 0.275) 2.981 41.712 ( 0.000 -8.264 6.787) 10.694 42.725 ( -0.000 3.693 -7.136) 8.035 42.786 ( -0.000 14.610 -19.120) 24.063 44.122 ( -0.000 33.600 18.652) 38.430 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 -0.000 17.522) 17.522 1.486 ( 0.000 -0.000 17.522) 17.522 2.070 ( -0.000 0.000 -10.373) 10.373 2.070 ( -0.000 0.000 -10.373) 10.373 2.951 ( 0.000 -0.000 23.995) 23.995 3.781 ( 0.000 -0.000 10.390) 10.390 4.470 ( -0.000 0.000 -28.110) 28.110 4.758 ( 0.000 -0.000 0.572) 0.572 5.336 ( 0.000 -0.000 0.754) 0.754 5.336 ( 0.000 -0.000 0.754) 0.754 5.769 ( -0.000 0.000 -0.396) 0.396 6.051 ( 0.000 -0.000 1.218) 1.218 6.051 ( 0.000 -0.000 1.218) 1.218 6.226 ( -0.000 0.000 -3.464) 3.464 6.226 ( -0.000 0.000 -3.464) 3.464 7.311 ( 0.000 -0.000 2.367) 2.367 7.311 ( 0.000 -0.000 2.367) 2.367 7.893 ( 0.000 -0.000 1.343) 1.343 9.087 ( -0.000 0.000 -0.702) 0.702 9.087 ( -0.000 0.000 -0.702) 0.702 12.026 ( -0.000 0.000 -0.018) 0.018 19.789 ( 0.000 0.000 -0.229) 0.229 19.789 ( -0.000 0.000 -0.229) 0.229 19.873 ( 0.000 -0.000 0.142) 0.142 19.873 ( 0.000 -0.000 0.142) 0.142 25.121 ( -0.000 0.000 -0.575) 0.575 25.336 ( 0.000 -0.000 0.218) 0.218 32.627 ( 0.000 -0.000 0.164) 0.164 32.647 ( -0.000 0.000 -0.144) 0.144 42.081 ( 0.000 -0.000 5.526) 5.526 42.081 ( 0.000 -0.000 5.526) 5.526 42.524 ( -0.000 0.000 -5.970) 5.970 42.524 ( -0.000 0.000 -5.970) 5.970 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 12.640 7.298 8.747) 17.016 1.933 ( 31.595 18.242 11.640) 38.295 2.146 ( 14.046 8.110 -3.972) 16.698 2.364 ( 23.953 13.829 -9.047) 29.100 3.082 ( 3.314 1.913 13.644) 14.171 3.840 ( 0.873 0.504 15.175) 15.208 4.296 ( -2.334 -1.347 -22.583) 22.743 4.720 ( -3.921 -2.264 0.248) 4.535 5.288 ( -2.842 -1.641 3.131) 4.536 5.320 ( -2.545 -1.469 -3.229) 4.366 5.774 ( -0.009 -0.005 -0.204) 0.204 6.001 ( -4.433 -2.559 1.819) 5.432 6.078 ( 2.364 1.365 0.266) 2.743 6.280 ( 6.285 3.629 -0.672) 7.289 6.332 ( 8.576 4.951 -5.484) 11.320 7.331 ( 0.937 0.541 1.716) 2.028 7.368 ( 3.008 1.737 1.849) 3.935 7.676 ( -12.096 -6.984 1.031) 14.006 9.082 ( 0.217 0.125 0.512) 0.570 9.477 ( 27.234 15.724 -2.305) 31.531 11.833 ( -16.762 -9.677 -0.668) 19.366 19.769 ( -0.773 -0.446 0.584) 1.067 19.775 ( -1.417 -0.818 -0.912) 1.873 19.889 ( 1.419 0.819 0.548) 1.728 19.913 ( 2.915 1.683 -0.285) 3.378 25.102 ( -1.438 -0.830 -0.110) 1.664 25.315 ( -1.850 -1.068 0.184) 2.144 32.606 ( -2.116 -1.222 0.200) 2.452 32.611 ( -2.816 -1.626 -0.166) 3.255 42.083 ( -4.917 -2.839 -2.770) 6.318 42.129 ( 6.074 3.507 9.144) 11.524 42.497 ( 2.835 1.637 2.594) 4.176 42.885 ( 29.474 17.017 -12.232) 36.165 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 16.790 9.693 0.693) 19.399 2.576 ( 23.515 13.577 2.618) 27.279 2.650 ( 20.796 12.006 13.552) 27.573 2.789 ( 19.343 11.168 -15.081) 26.950 3.250 ( 11.921 6.883 2.290) 13.955 3.991 ( 2.729 1.575 15.111) 15.436 4.303 ( 15.277 8.820 -8.520) 19.590 4.590 ( -7.795 -4.500 -0.301) 9.006 5.242 ( -2.507 -1.447 2.707) 3.963 5.258 ( -0.545 -0.315 -5.358) 5.395 5.737 ( -3.613 -2.086 -0.248) 4.180 5.896 ( -5.470 -3.158 1.779) 6.562 6.176 ( 7.061 4.077 -0.863) 8.199 6.432 ( 6.672 3.852 0.866) 7.753 6.458 ( 4.726 2.729 -6.266) 8.310 7.366 ( 1.567 0.905 1.318) 2.239 7.391 ( 1.331 0.768 0.416) 1.592 7.627 ( 4.813 2.779 2.546) 6.113 9.101 ( 1.068 0.616 1.673) 2.078 9.982 ( 17.669 10.201 -0.605) 20.411 11.363 ( -24.150 -13.943 -4.380) 28.227 19.736 ( -1.557 -0.899 -1.057) 2.085 19.775 ( 1.124 0.649 0.901) 1.580 19.922 ( 1.300 0.751 0.501) 1.583 19.986 ( 3.907 2.256 -0.203) 4.516 25.065 ( -1.923 -1.110 0.266) 2.237 25.270 ( -2.134 -1.232 0.009) 2.465 32.535 ( -3.464 -2.000 0.035) 4.000 32.555 ( -2.785 -1.608 -0.087) 3.216 41.909 ( -7.829 -4.520 -6.605) 11.197 42.410 ( 13.373 7.721 15.146) 21.630 42.609 ( 4.324 2.496 6.717) 8.369 43.522 ( 34.313 19.811 -18.144) 43.578 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -0.000 12.610 9.721) 15.922 2.013 ( -0.000 34.697 4.310) 34.963 2.187 ( -0.000 18.756 -8.334) 20.524 2.275 ( -0.000 27.256 -0.796) 27.268 3.133 ( 0.000 2.730 6.530) 7.078 3.936 ( 0.000 5.087 15.293) 16.117 4.179 ( -0.000 -3.533 -19.843) 20.155 4.721 ( 0.000 -4.635 0.133) 4.637 5.270 ( 0.000 -5.020 3.396) 6.061 5.342 ( -0.000 -1.384 -3.878) 4.118 5.773 ( -0.000 -0.047 -0.080) 0.093 6.018 ( 0.000 -4.346 -0.472) 4.371 6.070 ( -0.000 2.061 1.509) 2.554 6.281 ( -0.000 7.295 1.184) 7.391 6.296 ( -0.000 8.026 -2.751) 8.484 7.339 ( -0.000 1.293 0.568) 1.412 7.378 ( -0.000 3.990 0.542) 4.027 7.683 ( 0.000 -13.404 0.105) 13.404 9.095 ( -0.000 0.997 -1.224) 1.579 9.459 ( -0.000 30.955 0.065) 30.955 11.825 ( 0.000 -20.618 0.464) 20.623 19.763 ( 0.000 -1.940 0.701) 2.063 19.780 ( -0.000 -0.542 -0.897) 1.048 19.896 ( -0.000 1.718 -0.373) 1.758 19.907 ( -0.000 3.347 0.452) 3.378 25.102 ( 0.000 -1.550 -0.070) 1.551 25.315 ( 0.000 -2.136 0.092) 2.138 32.607 ( 0.000 -2.272 0.130) 2.276 32.610 ( 0.000 -3.435 -0.104) 3.436 42.011 ( 0.000 -8.314 6.377) 10.478 42.245 ( -0.000 12.292 -5.553) 13.488 42.569 ( -0.000 6.006 -6.636) 8.950 42.758 ( -0.000 27.999 4.085) 28.296 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 10.922 18.918 -0.000) 21.844 2.336 ( 13.415 23.235 -0.000) 26.830 2.610 ( 9.935 17.209 -0.000) 19.871 2.638 ( 17.782 30.799 0.000) 35.563 3.203 ( 3.530 6.114 -0.000) 7.059 4.084 ( -1.115 -1.932 0.000) 2.230 4.127 ( 9.012 15.609 -0.000) 18.024 4.644 ( -3.343 -5.790 -0.000) 6.686 5.193 ( -3.044 -5.272 -0.000) 6.087 5.326 ( 0.184 0.318 -0.000) 0.368 5.728 ( -3.282 -5.684 -0.000) 6.564 5.998 ( 0.244 0.423 -0.000) 0.489 6.092 ( 0.896 1.552 -0.000) 1.792 6.364 ( 1.746 3.025 -0.000) 3.493 6.430 ( 5.678 9.834 -0.000) 11.355 7.336 ( 0.670 1.160 -0.000) 1.339 7.472 ( 3.170 5.491 -0.000) 6.340 7.563 ( -1.411 -2.444 -0.000) 2.822 9.104 ( 0.697 1.207 -0.000) 1.394 9.866 ( 13.149 22.774 -0.000) 26.298 11.485 ( -14.469 -25.061 -0.000) 28.938 19.753 ( -0.442 -0.766 -0.000) 0.885 19.760 ( -0.248 -0.430 -0.000) 0.496 19.928 ( 1.315 2.277 -0.000) 2.629 19.953 ( 1.747 3.025 -0.000) 3.493 25.077 ( -1.044 -1.809 -0.000) 2.088 25.282 ( -1.285 -2.225 -0.000) 2.570 32.556 ( -2.073 -3.591 -0.000) 4.147 32.570 ( -1.549 -2.683 -0.000) 3.098 42.043 ( -0.603 -1.044 -0.000) 1.206 42.150 ( -1.314 -2.276 -0.000) 2.629 42.797 ( 9.713 16.823 -0.000) 19.426 43.203 ( 17.246 29.871 -0.000) 34.492 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 1.64e-04 1.64e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.000 -0.000 0.000) 0.000 1.646 ( 0.000 -0.000 0.000) 0.000 1.962 ( 0.000 -0.000 0.000) 0.000 1.962 ( 0.000 -0.000 0.000) 0.000 3.132 ( 0.000 -0.000 0.000) 0.000 3.960 ( -0.000 0.000 -0.000) 0.000 4.156 ( 0.000 -0.000 0.000) 0.000 4.762 ( 0.000 -0.000 0.000) 0.000 5.343 ( 0.000 -0.000 0.000) 0.000 5.343 ( 0.000 -0.000 0.000) 0.000 5.766 ( 0.000 -0.000 0.000) 0.000 6.059 ( 0.000 -0.000 0.000) 0.000 6.059 ( 0.000 -0.000 0.000) 0.000 6.201 ( 0.000 -0.000 0.000) 0.000 6.201 ( -0.000 0.000 0.000) 0.000 7.329 ( 0.000 -0.000 0.000) 0.000 7.329 ( 0.000 -0.000 0.000) 0.000 7.902 ( 0.000 -0.000 0.000) 0.000 9.082 ( 0.000 -0.000 0.000) 0.000 9.082 ( 0.000 -0.000 0.000) 0.000 12.026 ( 0.000 -0.000 0.000) 0.000 19.788 ( 0.000 -0.000 0.000) 0.000 19.788 ( 0.000 -0.000 0.000) 0.000 19.874 ( 0.000 -0.000 0.000) 0.000 19.874 ( 0.000 -0.000 0.000) 0.000 25.117 ( 0.000 -0.000 0.000) 0.000 25.338 ( 0.000 -0.000 0.000) 0.000 32.628 ( 0.000 -0.000 0.000) 0.000 32.646 ( 0.000 -0.000 0.000) 0.000 42.127 ( 0.000 -0.000 0.000) 0.000 42.127 ( 0.000 -0.000 0.000) 0.000 42.475 ( 0.000 -0.000 0.000) 0.000 42.475 ( 0.000 -0.000 0.000) 0.000 =================== 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 3/57024 10.0 612.691 612.691 863.306 -0.000 -0.000 -0.000 3/57024 20.0 241.029 241.029 259.886 0.000 -0.000 -0.000 3/57024 30.0 100.424 100.424 92.538 0.000 -0.000 -0.000 3/57024 40.0 53.716 53.716 45.594 0.000 -0.000 -0.000 3/57024 50.0 34.045 34.045 27.459 0.000 -0.000 -0.000 3/57024 60.0 24.154 24.154 18.800 0.000 -0.000 -0.000 3/57024 70.0 18.483 18.483 14.009 0.000 -0.000 -0.000 3/57024 80.0 14.905 14.905 11.064 0.000 -0.000 -0.000 3/57024 90.0 12.481 12.481 9.106 0.000 -0.000 -0.000 3/57024 100.0 10.744 10.744 7.727 0.000 -0.000 -0.000 3/57024 110.0 9.446 9.446 6.709 0.000 -0.000 -0.000 3/57024 120.0 8.439 8.439 5.930 0.000 -0.000 -0.000 3/57024 130.0 7.637 7.637 5.316 0.000 -0.000 -0.000 3/57024 140.0 6.982 6.982 4.820 0.000 -0.000 -0.000 3/57024 150.0 6.437 6.437 4.411 0.000 -0.000 -0.000 3/57024 160.0 5.976 5.976 4.069 0.000 -0.000 -0.000 3/57024 170.0 5.580 5.580 3.778 0.000 -0.000 -0.000 3/57024 180.0 5.236 5.236 3.528 0.000 -0.000 -0.000 3/57024 190.0 4.935 4.935 3.310 0.000 -0.000 -0.000 3/57024 200.0 4.668 4.668 3.120 0.000 -0.000 -0.000 3/57024 210.0 4.431 4.431 2.952 0.000 -0.000 -0.000 3/57024 220.0 4.219 4.219 2.802 0.000 -0.000 -0.000 3/57024 230.0 4.027 4.027 2.669 0.000 -0.000 -0.000 3/57024 240.0 3.854 3.854 2.549 0.000 -0.000 -0.000 3/57024 250.0 3.697 3.697 2.442 0.000 -0.000 -0.000 3/57024 260.0 3.553 3.553 2.345 0.000 -0.000 -0.000 3/57024 270.0 3.422 3.422 2.257 0.000 -0.000 -0.000 3/57024 280.0 3.302 3.302 2.177 0.000 -0.000 -0.000 3/57024 290.0 3.191 3.191 2.104 0.000 -0.000 -0.000 3/57024 300.0 3.089 3.089 2.038 0.000 -0.000 -0.000 3/57024 310.0 2.994 2.994 1.977 0.000 -0.000 -0.000 3/57024 320.0 2.906 2.906 1.921 0.000 -0.000 -0.000 3/57024 330.0 2.825 2.825 1.870 0.000 -0.000 -0.000 3/57024 340.0 2.749 2.749 1.823 0.000 -0.000 -0.000 3/57024 350.0 2.678 2.678 1.780 0.000 -0.000 -0.000 3/57024 360.0 2.612 2.612 1.740 0.000 -0.000 -0.000 3/57024 370.0 2.550 2.550 1.703 0.000 -0.000 -0.000 3/57024 380.0 2.492 2.492 1.669 0.000 -0.000 -0.000 3/57024 390.0 2.437 2.437 1.637 0.000 -0.000 -0.000 3/57024 400.0 2.385 2.385 1.607 0.000 -0.000 -0.000 3/57024 410.0 2.336 2.336 1.579 0.000 -0.000 -0.000 3/57024 420.0 2.290 2.290 1.553 0.000 -0.000 -0.000 3/57024 430.0 2.246 2.246 1.529 0.000 -0.000 -0.000 3/57024 440.0 2.205 2.205 1.506 0.000 -0.000 -0.000 3/57024 450.0 2.165 2.165 1.484 0.000 -0.000 -0.000 3/57024 460.0 2.128 2.128 1.463 0.000 -0.000 -0.000 3/57024 470.0 2.092 2.092 1.444 0.000 -0.000 -0.000 3/57024 480.0 2.057 2.057 1.425 0.000 -0.000 -0.000 3/57024 490.0 2.024 2.024 1.408 0.000 -0.000 -0.000 3/57024 500.0 1.993 1.993 1.391 0.000 -0.000 -0.000 3/57024 510.0 1.963 1.963 1.375 0.000 -0.000 -0.000 3/57024 520.0 1.934 1.934 1.359 0.000 -0.000 -0.000 3/57024 530.0 1.906 1.906 1.344 0.000 -0.000 -0.000 3/57024 540.0 1.879 1.879 1.330 0.000 -0.000 -0.000 3/57024 550.0 1.853 1.853 1.316 0.000 -0.000 -0.000 3/57024 560.0 1.828 1.828 1.303 0.000 -0.000 -0.000 3/57024 570.0 1.803 1.803 1.290 0.000 -0.000 -0.000 3/57024 580.0 1.780 1.780 1.277 0.000 -0.000 -0.000 3/57024 590.0 1.757 1.757 1.265 0.000 -0.000 -0.000 3/57024 600.0 1.735 1.735 1.253 0.000 -0.000 -0.000 3/57024 610.0 1.713 1.713 1.241 0.000 -0.000 -0.000 3/57024 620.0 1.693 1.693 1.230 0.000 -0.000 -0.000 3/57024 630.0 1.672 1.672 1.219 0.000 -0.000 -0.000 3/57024 640.0 1.653 1.653 1.208 0.000 -0.000 -0.000 3/57024 650.0 1.634 1.634 1.198 0.000 -0.000 -0.000 3/57024 660.0 1.615 1.615 1.187 0.000 -0.000 -0.000 3/57024 670.0 1.597 1.597 1.177 0.000 -0.000 -0.000 3/57024 680.0 1.579 1.579 1.167 0.000 -0.000 -0.000 3/57024 690.0 1.562 1.562 1.157 0.000 -0.000 -0.000 3/57024 700.0 1.545 1.545 1.148 0.000 -0.000 -0.000 3/57024 710.0 1.528 1.528 1.138 0.000 -0.000 -0.000 3/57024 720.0 1.512 1.512 1.129 0.000 -0.000 -0.000 3/57024 730.0 1.496 1.496 1.120 0.000 -0.000 -0.000 3/57024 740.0 1.481 1.481 1.111 0.000 -0.000 -0.000 3/57024 750.0 1.466 1.466 1.102 0.000 -0.000 -0.000 3/57024 760.0 1.451 1.451 1.093 0.000 -0.000 -0.000 3/57024 770.0 1.437 1.437 1.085 0.000 -0.000 -0.000 3/57024 780.0 1.422 1.422 1.076 0.000 -0.000 -0.000 3/57024 790.0 1.409 1.409 1.068 0.000 -0.000 -0.000 3/57024 800.0 1.395 1.395 1.060 0.000 -0.000 -0.000 3/57024 810.0 1.382 1.382 1.052 0.000 -0.000 -0.000 3/57024 820.0 1.368 1.368 1.044 0.000 -0.000 -0.000 3/57024 830.0 1.356 1.356 1.036 0.000 -0.000 -0.000 3/57024 840.0 1.343 1.343 1.028 0.000 -0.000 -0.000 3/57024 850.0 1.331 1.331 1.020 0.000 -0.000 -0.000 3/57024 860.0 1.319 1.319 1.013 0.000 -0.000 -0.000 3/57024 870.0 1.307 1.307 1.005 0.000 -0.000 -0.000 3/57024 880.0 1.295 1.295 0.998 0.000 -0.000 -0.000 3/57024 890.0 1.283 1.283 0.991 0.000 -0.000 -0.000 3/57024 900.0 1.272 1.272 0.983 0.000 -0.000 -0.000 3/57024 910.0 1.261 1.261 0.976 0.000 -0.000 -0.000 3/57024 920.0 1.250 1.250 0.969 0.000 -0.000 -0.000 3/57024 930.0 1.239 1.239 0.962 0.000 -0.000 -0.000 3/57024 940.0 1.229 1.229 0.955 0.000 -0.000 -0.000 3/57024 950.0 1.218 1.218 0.949 0.000 -0.000 -0.000 3/57024 960.0 1.208 1.208 0.942 0.000 -0.000 -0.000 3/57024 970.0 1.198 1.198 0.935 0.000 -0.000 -0.000 3/57024 980.0 1.188 1.188 0.929 0.000 -0.000 -0.000 3/57024 990.0 1.178 1.178 0.922 0.000 -0.000 -0.000 3/57024 1000.0 1.169 1.169 0.916 0.000 -0.000 -0.000 3/57024 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:46:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|