----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:04:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.034174839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.725436730000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.481401030000001 Atomic positions (fractional): *1 Ge 0.81126006375241 0.93927012149135 0.34919259631705 72.640 2 Ge 0.18873993624759 0.43927012149135 0.65080740368295 72.640 3 Ge 0.31126006375241 0.56072987850865 0.15080740368295 72.640 4 Ge 0.68873993624759 0.06072987850865 0.84919259631705 72.640 5 Ge 0.18873993624759 0.06072987850865 0.65080740368295 72.640 6 Ge 0.81126006375241 0.56072987850865 0.34919259631705 72.640 7 Ge 0.68873993624759 0.43927012149135 0.84919259631705 72.640 8 Ge 0.31126006375241 0.93927012149135 0.15080740368295 72.640 *9 Ge 0.07622836690726 0.75000000000000 0.09504514281897 72.640 10 Ge 0.92377163309274 0.25000000000000 0.90495485718103 72.640 11 Ge 0.57622836690726 0.75000000000000 0.40495485718103 72.640 12 Ge 0.42377163309274 0.25000000000000 0.59504514281897 72.640 *13 Ge 0.30779635978693 0.75000000000000 0.95851327550160 72.640 14 Ge 0.69220364021307 0.25000000000000 0.04148672449840 72.640 15 Ge 0.80779635978693 0.75000000000000 0.54148672449840 72.640 16 Ge 0.19220364021307 0.25000000000000 0.45851327550160 72.640 *17 Ba 0.84312595201497 0.25000000000000 0.59296631770061 137.327 18 Ba 0.15687404798503 0.75000000000000 0.40703368229939 137.327 19 Ba 0.34312595201497 0.25000000000000 0.90703368229939 137.327 20 Ba 0.65687404798503 0.75000000000000 0.09296631770061 137.327 *21 Ba 0.01554555141671 0.25000000000000 0.18910125736917 137.327 22 Ba 0.98445444858329 0.75000000000000 0.81089874263083 137.327 23 Ba 0.51554555141671 0.25000000000000 0.31089874263083 137.327 24 Ba 0.48445444858329 0.75000000000000 0.68910125736917 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.034174839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.725436730000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.481401030000001 Atomic positions (fractional): *1 Ge 0.81126006375241 0.93927012149135 0.34919259631705 72.640 > 1 2 Ge 0.18873993624759 0.43927012149135 0.65080740368295 72.640 > 2 3 Ge 0.31126006375241 0.56072987850865 0.15080740368295 72.640 > 3 4 Ge 0.68873993624759 0.06072987850865 0.84919259631705 72.640 > 4 5 Ge 0.18873993624759 0.06072987850865 0.65080740368295 72.640 > 5 6 Ge 0.81126006375241 0.56072987850865 0.34919259631705 72.640 > 6 7 Ge 0.68873993624759 0.43927012149135 0.84919259631705 72.640 > 7 8 Ge 0.31126006375241 0.93927012149135 0.15080740368295 72.640 > 8 *9 Ge 0.07622836690726 0.75000000000000 0.09504514281897 72.640 > 9 10 Ge 0.92377163309274 0.25000000000000 0.90495485718103 72.640 > 10 11 Ge 0.57622836690726 0.75000000000000 0.40495485718103 72.640 > 11 12 Ge 0.42377163309274 0.25000000000000 0.59504514281897 72.640 > 12 *13 Ge 0.30779635978693 0.75000000000000 0.95851327550160 72.640 > 13 14 Ge 0.69220364021307 0.25000000000000 0.04148672449840 72.640 > 14 15 Ge 0.80779635978693 0.75000000000000 0.54148672449840 72.640 > 15 16 Ge 0.19220364021307 0.25000000000000 0.45851327550160 72.640 > 16 *17 Ba 0.84312595201497 0.25000000000000 0.59296631770061 137.327 > 17 18 Ba 0.15687404798503 0.75000000000000 0.40703368229939 137.327 > 18 19 Ba 0.34312595201497 0.25000000000000 0.90703368229939 137.327 > 19 20 Ba 0.65687404798503 0.75000000000000 0.09296631770061 137.327 > 20 *21 Ba 0.01554555141671 0.25000000000000 0.18910125736917 137.327 > 21 22 Ba 0.98445444858329 0.75000000000000 0.81089874263083 137.327 > 22 23 Ba 0.51554555141671 0.25000000000000 0.31089874263083 137.327 > 23 24 Ba 0.48445444858329 0.75000000000000 0.68910125736917 137.327 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.068349679999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.450873460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.481401030000001 Atomic positions (fractional): *1 Ge 0.40563003187620 0.46963506074568 0.34919259631705 72.640 > 1 2 Ge 0.90563003187620 0.46963506074568 0.34919259631705 72.640 > 1 3 Ge 0.40563003187620 0.96963506074567 0.34919259631705 72.640 > 1 4 Ge 0.90563003187620 0.96963506074567 0.34919259631705 72.640 > 1 5 Ge 0.09436996812380 0.21963506074567 0.65080740368295 72.640 > 2 6 Ge 0.59436996812380 0.21963506074567 0.65080740368295 72.640 > 2 7 Ge 0.09436996812380 0.71963506074567 0.65080740368295 72.640 > 2 8 Ge 0.59436996812380 0.71963506074567 0.65080740368295 72.640 > 2 9 Ge 0.15563003187620 0.28036493925432 0.15080740368295 72.640 > 3 10 Ge 0.65563003187620 0.28036493925432 0.15080740368295 72.640 > 3 11 Ge 0.15563003187620 0.78036493925433 0.15080740368295 72.640 > 3 12 Ge 0.65563003187620 0.78036493925433 0.15080740368295 72.640 > 3 13 Ge 0.34436996812380 0.03036493925432 0.84919259631705 72.640 > 4 14 Ge 0.84436996812380 0.03036493925432 0.84919259631705 72.640 > 4 15 Ge 0.34436996812380 0.53036493925433 0.84919259631705 72.640 > 4 16 Ge 0.84436996812380 0.53036493925433 0.84919259631705 72.640 > 4 17 Ge 0.09436996812380 0.03036493925432 0.65080740368295 72.640 > 5 18 Ge 0.59436996812380 0.03036493925432 0.65080740368295 72.640 > 5 19 Ge 0.09436996812380 0.53036493925433 0.65080740368295 72.640 > 5 20 Ge 0.59436996812380 0.53036493925433 0.65080740368295 72.640 > 5 21 Ge 0.40563003187620 0.28036493925432 0.34919259631705 72.640 > 6 22 Ge 0.90563003187620 0.28036493925432 0.34919259631705 72.640 > 6 23 Ge 0.40563003187620 0.78036493925433 0.34919259631705 72.640 > 6 24 Ge 0.90563003187620 0.78036493925433 0.34919259631705 72.640 > 6 25 Ge 0.34436996812380 0.21963506074567 0.84919259631705 72.640 > 7 26 Ge 0.84436996812380 0.21963506074567 0.84919259631705 72.640 > 7 27 Ge 0.34436996812380 0.71963506074567 0.84919259631705 72.640 > 7 28 Ge 0.84436996812380 0.71963506074567 0.84919259631705 72.640 > 7 29 Ge 0.15563003187620 0.46963506074568 0.15080740368295 72.640 > 8 30 Ge 0.65563003187620 0.46963506074568 0.15080740368295 72.640 > 8 31 Ge 0.15563003187620 0.96963506074567 0.15080740368295 72.640 > 8 32 Ge 0.65563003187620 0.96963506074567 0.15080740368295 72.640 > 8 *33 Ge 0.03811418345363 0.37500000000000 0.09504514281897 72.640 > 9 34 Ge 0.53811418345363 0.37500000000000 0.09504514281897 72.640 > 9 35 Ge 0.03811418345363 0.87500000000000 0.09504514281897 72.640 > 9 36 Ge 0.53811418345363 0.87500000000000 0.09504514281897 72.640 > 9 37 Ge 0.46188581654637 0.12500000000000 0.90495485718103 72.640 > 10 38 Ge 0.96188581654637 0.12500000000000 0.90495485718103 72.640 > 10 39 Ge 0.46188581654637 0.62500000000000 0.90495485718103 72.640 > 10 40 Ge 0.96188581654637 0.62500000000000 0.90495485718103 72.640 > 10 41 Ge 0.28811418345363 0.37500000000000 0.40495485718103 72.640 > 11 42 Ge 0.78811418345363 0.37500000000000 0.40495485718103 72.640 > 11 43 Ge 0.28811418345363 0.87500000000000 0.40495485718103 72.640 > 11 44 Ge 0.78811418345363 0.87500000000000 0.40495485718103 72.640 > 11 45 Ge 0.21188581654637 0.12500000000000 0.59504514281897 72.640 > 12 46 Ge 0.71188581654637 0.12500000000000 0.59504514281897 72.640 > 12 47 Ge 0.21188581654637 0.62500000000000 0.59504514281897 72.640 > 12 48 Ge 0.71188581654637 0.62500000000000 0.59504514281897 72.640 > 12 *49 Ge 0.15389817989346 0.37500000000000 0.95851327550160 72.640 > 13 50 Ge 0.65389817989346 0.37500000000000 0.95851327550160 72.640 > 13 51 Ge 0.15389817989346 0.87500000000000 0.95851327550160 72.640 > 13 52 Ge 0.65389817989346 0.87500000000000 0.95851327550160 72.640 > 13 53 Ge 0.34610182010654 0.12500000000000 0.04148672449840 72.640 > 14 54 Ge 0.84610182010654 0.12500000000000 0.04148672449840 72.640 > 14 55 Ge 0.34610182010654 0.62500000000000 0.04148672449840 72.640 > 14 56 Ge 0.84610182010654 0.62500000000000 0.04148672449840 72.640 > 14 57 Ge 0.40389817989346 0.37500000000000 0.54148672449840 72.640 > 15 58 Ge 0.90389817989346 0.37500000000000 0.54148672449840 72.640 > 15 59 Ge 0.40389817989346 0.87500000000000 0.54148672449840 72.640 > 15 60 Ge 0.90389817989346 0.87500000000000 0.54148672449840 72.640 > 15 61 Ge 0.09610182010654 0.12500000000000 0.45851327550160 72.640 > 16 62 Ge 0.59610182010654 0.12500000000000 0.45851327550160 72.640 > 16 63 Ge 0.09610182010654 0.62500000000000 0.45851327550160 72.640 > 16 64 Ge 0.59610182010654 0.62500000000000 0.45851327550160 72.640 > 16 *65 Ba 0.42156297600749 0.12500000000000 0.59296631770061 137.327 > 17 66 Ba 0.92156297600749 0.12500000000000 0.59296631770061 137.327 > 17 67 Ba 0.42156297600749 0.62500000000000 0.59296631770061 137.327 > 17 68 Ba 0.92156297600749 0.62500000000000 0.59296631770061 137.327 > 17 69 Ba 0.07843702399251 0.37500000000000 0.40703368229939 137.327 > 18 70 Ba 0.57843702399251 0.37500000000000 0.40703368229939 137.327 > 18 71 Ba 0.07843702399251 0.87500000000000 0.40703368229939 137.327 > 18 72 Ba 0.57843702399251 0.87500000000000 0.40703368229939 137.327 > 18 73 Ba 0.17156297600749 0.12500000000000 0.90703368229939 137.327 > 19 74 Ba 0.67156297600749 0.12500000000000 0.90703368229939 137.327 > 19 75 Ba 0.17156297600749 0.62500000000000 0.90703368229939 137.327 > 19 76 Ba 0.67156297600749 0.62500000000000 0.90703368229939 137.327 > 19 77 Ba 0.32843702399251 0.37500000000000 0.09296631770061 137.327 > 20 78 Ba 0.82843702399251 0.37500000000000 0.09296631770061 137.327 > 20 79 Ba 0.32843702399251 0.87500000000000 0.09296631770061 137.327 > 20 80 Ba 0.82843702399251 0.87500000000000 0.09296631770061 137.327 > 20 *81 Ba 0.00777277570836 0.12500000000000 0.18910125736917 137.327 > 21 82 Ba 0.50777277570836 0.12500000000000 0.18910125736917 137.327 > 21 83 Ba 0.00777277570836 0.62500000000000 0.18910125736917 137.327 > 21 84 Ba 0.50777277570836 0.62500000000000 0.18910125736917 137.327 > 21 85 Ba 0.49222722429164 0.37500000000000 0.81089874263083 137.327 > 22 86 Ba 0.99222722429164 0.37500000000000 0.81089874263083 137.327 > 22 87 Ba 0.49222722429164 0.87500000000000 0.81089874263083 137.327 > 22 88 Ba 0.99222722429164 0.87500000000000 0.81089874263083 137.327 > 22 89 Ba 0.25777277570836 0.12500000000000 0.31089874263083 137.327 > 23 90 Ba 0.75777277570836 0.12500000000000 0.31089874263083 137.327 > 23 91 Ba 0.25777277570836 0.62500000000000 0.31089874263083 137.327 > 23 92 Ba 0.75777277570836 0.62500000000000 0.31089874263083 137.327 > 23 93 Ba 0.24222722429164 0.37500000000000 0.68910125736917 137.327 > 24 94 Ba 0.74222722429164 0.37500000000000 0.68910125736917 137.327 > 24 95 Ba 0.24222722429164 0.87500000000000 0.68910125736917 137.327 > 24 96 Ba 0.74222722429164 0.87500000000000 0.68910125736917 137.327 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 21.6803116 0.0000000 0.0000000 0.0000000 13.9141368 0.0000000 0.0000000 0.0000000 17.8201461 -------------------------- Born effective charges -------------------------- 1 Ge -1.1398696 -0.4463021 -0.0838363 0.1431236 -1.2117307 0.2675806 0.2204062 0.2875080 -1.0531423 2 Ge -1.1398696 0.4463021 -0.0838363 -0.1431236 -1.2117307 -0.2675806 0.2204062 -0.2875080 -1.0531423 3 Ge -1.1398696 0.4463021 0.0838363 -0.1431236 -1.2117307 0.2675806 -0.2204062 0.2875080 -1.0531423 4 Ge -1.1398696 -0.4463021 0.0838363 0.1431236 -1.2117307 -0.2675806 -0.2204062 -0.2875080 -1.0531423 5 Ge -1.1398696 -0.4463021 -0.0838363 0.1431236 -1.2117307 0.2675806 0.2204062 0.2875080 -1.0531423 6 Ge -1.1398696 0.4463021 -0.0838363 -0.1431236 -1.2117307 -0.2675806 0.2204062 -0.2875080 -1.0531423 7 Ge -1.1398696 0.4463021 0.0838363 -0.1431236 -1.2117307 0.2675806 -0.2204062 0.2875080 -1.0531423 8 Ge -1.1398696 -0.4463021 0.0838363 0.1431236 -1.2117307 -0.2675806 -0.2204062 -0.2875080 -1.0531423 9 Ge -1.7520166 0.0000000 -0.9165500 0.0000000 -1.3207646 0.0000000 -0.4423375 0.0000000 -0.5830318 10 Ge -1.7520166 0.0000000 -0.9165500 0.0000000 -1.3207646 0.0000000 -0.4423375 0.0000000 -0.5830318 11 Ge -1.7520166 0.0000000 0.9165500 0.0000000 -1.3207646 0.0000000 0.4423375 0.0000000 -0.5830318 12 Ge -1.7520166 0.0000000 0.9165500 0.0000000 -1.3207646 0.0000000 0.4423375 0.0000000 -0.5830318 13 Ge -2.1109331 0.0000000 0.4679117 0.0000000 -1.3351586 0.0000000 0.8504972 0.0000000 -2.6637311 14 Ge -2.1109331 0.0000000 0.4679117 0.0000000 -1.3351586 0.0000000 0.8504972 0.0000000 -2.6637311 15 Ge -2.1109331 0.0000000 -0.4679117 0.0000000 -1.3351586 0.0000000 -0.8504972 0.0000000 -2.6637311 16 Ge -2.1109331 0.0000000 -0.4679117 0.0000000 -1.3351586 0.0000000 -0.8504972 0.0000000 -2.6637311 17 Ba 3.1722272 0.0000000 -1.0704475 0.0000000 2.0355255 0.0000000 0.0569356 0.0000000 2.1333317 18 Ba 3.1722272 0.0000000 -1.0704475 0.0000000 2.0355255 0.0000000 0.0569356 0.0000000 2.1333317 19 Ba 3.1722272 0.0000000 1.0704475 0.0000000 2.0355255 0.0000000 -0.0569356 0.0000000 2.1333317 20 Ba 3.1722272 0.0000000 1.0704475 0.0000000 2.0355255 0.0000000 -0.0569356 0.0000000 2.1333317 21 Ba 2.9704618 0.0000000 0.2334561 0.0000000 3.0438592 0.0000000 0.1479604 0.0000000 3.2197159 22 Ba 2.9704618 0.0000000 0.2334561 0.0000000 3.0438592 0.0000000 0.1479604 0.0000000 3.2197159 23 Ba 2.9704618 0.0000000 -0.2334561 0.0000000 3.0438592 0.0000000 -0.1479604 0.0000000 3.2197159 24 Ba 2.9704618 0.0000000 -0.2334561 0.0000000 3.0438592 0.0000000 -0.1479604 0.0000000 3.2197159 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1400 Number of blocks in projector: 1400 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1400, 1371), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 400 - Time: 1.616 Solver_block: 200 / 400 - Time: 1.625 Solver_block: 300 / 400 - Time: 1.585 Solver_block: 400 / 400 - Time: 1.662 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.638 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1400 Number of blocks in projector: 1400 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1400, 1371), data: False |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:04:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:04:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.034174839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.725436730000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.481401030000001 Atomic positions (fractional): 1 Ge 0.81126006375241 0.93927012149135 0.34919259631705 72.640 2 Ge 0.18873993624759 0.43927012149135 0.65080740368295 72.640 3 Ge 0.31126006375241 0.56072987850865 0.15080740368295 72.640 4 Ge 0.68873993624759 0.06072987850865 0.84919259631705 72.640 5 Ge 0.18873993624759 0.06072987850865 0.65080740368295 72.640 6 Ge 0.81126006375241 0.56072987850865 0.34919259631705 72.640 7 Ge 0.68873993624759 0.43927012149135 0.84919259631705 72.640 8 Ge 0.31126006375241 0.93927012149135 0.15080740368295 72.640 9 Ge 0.07622836690726 0.75000000000000 0.09504514281897 72.640 10 Ge 0.92377163309274 0.25000000000000 0.90495485718103 72.640 11 Ge 0.57622836690726 0.75000000000000 0.40495485718103 72.640 12 Ge 0.42377163309274 0.25000000000000 0.59504514281897 72.640 13 Ge 0.30779635978693 0.75000000000000 0.95851327550160 72.640 14 Ge 0.69220364021307 0.25000000000000 0.04148672449840 72.640 15 Ge 0.80779635978693 0.75000000000000 0.54148672449840 72.640 16 Ge 0.19220364021307 0.25000000000000 0.45851327550160 72.640 17 Ba 0.84312595201497 0.25000000000000 0.59296631770061 137.327 18 Ba 0.15687404798503 0.75000000000000 0.40703368229939 137.327 19 Ba 0.34312595201497 0.25000000000000 0.90703368229939 137.327 20 Ba 0.65687404798503 0.75000000000000 0.09296631770061 137.327 21 Ba 0.01554555141671 0.25000000000000 0.18910125736917 137.327 22 Ba 0.98445444858329 0.75000000000000 0.81089874263083 137.327 23 Ba 0.51554555141671 0.25000000000000 0.31089874263083 137.327 24 Ba 0.48445444858329 0.75000000000000 0.68910125736917 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.068349679999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.450873460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.481401030000001 Atomic positions (fractional): 1 Ge 0.40563003187620 0.46963506074568 0.34919259631705 72.640 > 1 2 Ge 0.90563003187620 0.46963506074568 0.34919259631705 72.640 > 1 3 Ge 0.40563003187620 0.96963506074567 0.34919259631705 72.640 > 1 4 Ge 0.90563003187620 0.96963506074567 0.34919259631705 72.640 > 1 5 Ge 0.09436996812380 0.21963506074567 0.65080740368295 72.640 > 5 6 Ge 0.59436996812380 0.21963506074567 0.65080740368295 72.640 > 5 7 Ge 0.09436996812380 0.71963506074567 0.65080740368295 72.640 > 5 8 Ge 0.59436996812380 0.71963506074567 0.65080740368295 72.640 > 5 9 Ge 0.15563003187620 0.28036493925432 0.15080740368295 72.640 > 9 10 Ge 0.65563003187620 0.28036493925432 0.15080740368295 72.640 > 9 11 Ge 0.15563003187620 0.78036493925433 0.15080740368295 72.640 > 9 12 Ge 0.65563003187620 0.78036493925433 0.15080740368295 72.640 > 9 13 Ge 0.34436996812380 0.03036493925432 0.84919259631705 72.640 > 13 14 Ge 0.84436996812380 0.03036493925432 0.84919259631705 72.640 > 13 15 Ge 0.34436996812380 0.53036493925433 0.84919259631705 72.640 > 13 16 Ge 0.84436996812380 0.53036493925433 0.84919259631705 72.640 > 13 17 Ge 0.09436996812380 0.03036493925432 0.65080740368295 72.640 > 17 18 Ge 0.59436996812380 0.03036493925432 0.65080740368295 72.640 > 17 19 Ge 0.09436996812380 0.53036493925433 0.65080740368295 72.640 > 17 20 Ge 0.59436996812380 0.53036493925433 0.65080740368295 72.640 > 17 21 Ge 0.40563003187620 0.28036493925432 0.34919259631705 72.640 > 21 22 Ge 0.90563003187620 0.28036493925432 0.34919259631705 72.640 > 21 23 Ge 0.40563003187620 0.78036493925433 0.34919259631705 72.640 > 21 24 Ge 0.90563003187620 0.78036493925433 0.34919259631705 72.640 > 21 25 Ge 0.34436996812380 0.21963506074567 0.84919259631705 72.640 > 25 26 Ge 0.84436996812380 0.21963506074567 0.84919259631705 72.640 > 25 27 Ge 0.34436996812380 0.71963506074567 0.84919259631705 72.640 > 25 28 Ge 0.84436996812380 0.71963506074567 0.84919259631705 72.640 > 25 29 Ge 0.15563003187620 0.46963506074568 0.15080740368295 72.640 > 29 30 Ge 0.65563003187620 0.46963506074568 0.15080740368295 72.640 > 29 31 Ge 0.15563003187620 0.96963506074567 0.15080740368295 72.640 > 29 32 Ge 0.65563003187620 0.96963506074567 0.15080740368295 72.640 > 29 33 Ge 0.03811418345363 0.37500000000000 0.09504514281897 72.640 > 33 34 Ge 0.53811418345363 0.37500000000000 0.09504514281897 72.640 > 33 35 Ge 0.03811418345363 0.87500000000000 0.09504514281897 72.640 > 33 36 Ge 0.53811418345363 0.87500000000000 0.09504514281897 72.640 > 33 37 Ge 0.46188581654637 0.12500000000000 0.90495485718103 72.640 > 37 38 Ge 0.96188581654637 0.12500000000000 0.90495485718103 72.640 > 37 39 Ge 0.46188581654637 0.62500000000000 0.90495485718103 72.640 > 37 40 Ge 0.96188581654637 0.62500000000000 0.90495485718103 72.640 > 37 41 Ge 0.28811418345363 0.37500000000000 0.40495485718103 72.640 > 41 42 Ge 0.78811418345363 0.37500000000000 0.40495485718103 72.640 > 41 43 Ge 0.28811418345363 0.87500000000000 0.40495485718103 72.640 > 41 44 Ge 0.78811418345363 0.87500000000000 0.40495485718103 72.640 > 41 45 Ge 0.21188581654637 0.12500000000000 0.59504514281897 72.640 > 45 46 Ge 0.71188581654637 0.12500000000000 0.59504514281897 72.640 > 45 47 Ge 0.21188581654637 0.62500000000000 0.59504514281897 72.640 > 45 48 Ge 0.71188581654637 0.62500000000000 0.59504514281897 72.640 > 45 49 Ge 0.15389817989346 0.37500000000000 0.95851327550160 72.640 > 49 50 Ge 0.65389817989346 0.37500000000000 0.95851327550160 72.640 > 49 51 Ge 0.15389817989346 0.87500000000000 0.95851327550160 72.640 > 49 52 Ge 0.65389817989346 0.87500000000000 0.95851327550160 72.640 > 49 53 Ge 0.34610182010654 0.12500000000000 0.04148672449840 72.640 > 53 54 Ge 0.84610182010654 0.12500000000000 0.04148672449840 72.640 > 53 55 Ge 0.34610182010654 0.62500000000000 0.04148672449840 72.640 > 53 56 Ge 0.84610182010654 0.62500000000000 0.04148672449840 72.640 > 53 57 Ge 0.40389817989346 0.37500000000000 0.54148672449840 72.640 > 57 58 Ge 0.90389817989346 0.37500000000000 0.54148672449840 72.640 > 57 59 Ge 0.40389817989346 0.87500000000000 0.54148672449840 72.640 > 57 60 Ge 0.90389817989346 0.87500000000000 0.54148672449840 72.640 > 57 61 Ge 0.09610182010654 0.12500000000000 0.45851327550160 72.640 > 61 62 Ge 0.59610182010654 0.12500000000000 0.45851327550160 72.640 > 61 63 Ge 0.09610182010654 0.62500000000000 0.45851327550160 72.640 > 61 64 Ge 0.59610182010654 0.62500000000000 0.45851327550160 72.640 > 61 65 Ba 0.42156297600749 0.12500000000000 0.59296631770061 137.327 > 65 66 Ba 0.92156297600749 0.12500000000000 0.59296631770061 137.327 > 65 67 Ba 0.42156297600749 0.62500000000000 0.59296631770061 137.327 > 65 68 Ba 0.92156297600749 0.62500000000000 0.59296631770061 137.327 > 65 69 Ba 0.07843702399251 0.37500000000000 0.40703368229939 137.327 > 69 70 Ba 0.57843702399251 0.37500000000000 0.40703368229939 137.327 > 69 71 Ba 0.07843702399251 0.87500000000000 0.40703368229939 137.327 > 69 72 Ba 0.57843702399251 0.87500000000000 0.40703368229939 137.327 > 69 73 Ba 0.17156297600749 0.12500000000000 0.90703368229939 137.327 > 73 74 Ba 0.67156297600749 0.12500000000000 0.90703368229939 137.327 > 73 75 Ba 0.17156297600749 0.62500000000000 0.90703368229939 137.327 > 73 76 Ba 0.67156297600749 0.62500000000000 0.90703368229939 137.327 > 73 77 Ba 0.32843702399251 0.37500000000000 0.09296631770061 137.327 > 77 78 Ba 0.82843702399251 0.37500000000000 0.09296631770061 137.327 > 77 79 Ba 0.32843702399251 0.87500000000000 0.09296631770061 137.327 > 77 80 Ba 0.82843702399251 0.87500000000000 0.09296631770061 137.327 > 77 81 Ba 0.00777277570836 0.12500000000000 0.18910125736917 137.327 > 81 82 Ba 0.50777277570836 0.12500000000000 0.18910125736917 137.327 > 81 83 Ba 0.00777277570836 0.62500000000000 0.18910125736917 137.327 > 81 84 Ba 0.50777277570836 0.62500000000000 0.18910125736917 137.327 > 81 85 Ba 0.49222722429164 0.37500000000000 0.81089874263083 137.327 > 85 86 Ba 0.99222722429164 0.37500000000000 0.81089874263083 137.327 > 85 87 Ba 0.49222722429164 0.87500000000000 0.81089874263083 137.327 > 85 88 Ba 0.99222722429164 0.87500000000000 0.81089874263083 137.327 > 85 89 Ba 0.25777277570836 0.12500000000000 0.31089874263083 137.327 > 89 90 Ba 0.75777277570836 0.12500000000000 0.31089874263083 137.327 > 89 91 Ba 0.25777277570836 0.62500000000000 0.31089874263083 137.327 > 89 92 Ba 0.75777277570836 0.62500000000000 0.31089874263083 137.327 > 89 93 Ba 0.24222722429164 0.37500000000000 0.68910125736917 137.327 > 93 94 Ba 0.74222722429164 0.37500000000000 0.68910125736917 137.327 > 93 95 Ba 0.24222722429164 0.87500000000000 0.68910125736917 137.327 > 93 96 Ba 0.74222722429164 0.87500000000000 0.68910125736917 137.327 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 21.6803116 0.0000000 0.0000000 0.0000000 13.9141368 0.0000000 0.0000000 0.0000000 17.8201461 -------------------------- Born effective charges -------------------------- 1 Ge -1.1398696 -0.4463021 -0.0838363 0.1431236 -1.2117307 0.2675806 0.2204062 0.2875080 -1.0531423 2 Ge -1.1398696 0.4463021 -0.0838363 -0.1431236 -1.2117307 -0.2675806 0.2204062 -0.2875080 -1.0531423 3 Ge -1.1398696 0.4463021 0.0838363 -0.1431236 -1.2117307 0.2675806 -0.2204062 0.2875080 -1.0531423 4 Ge -1.1398696 -0.4463021 0.0838363 0.1431236 -1.2117307 -0.2675806 -0.2204062 -0.2875080 -1.0531423 5 Ge -1.1398696 -0.4463021 -0.0838363 0.1431236 -1.2117307 0.2675806 0.2204062 0.2875080 -1.0531423 6 Ge -1.1398696 0.4463021 -0.0838363 -0.1431236 -1.2117307 -0.2675806 0.2204062 -0.2875080 -1.0531423 7 Ge -1.1398696 0.4463021 0.0838363 -0.1431236 -1.2117307 0.2675806 -0.2204062 0.2875080 -1.0531423 8 Ge -1.1398696 -0.4463021 0.0838363 0.1431236 -1.2117307 -0.2675806 -0.2204062 -0.2875080 -1.0531423 9 Ge -1.7520166 0.0000000 -0.9165500 0.0000000 -1.3207646 0.0000000 -0.4423375 0.0000000 -0.5830318 10 Ge -1.7520166 0.0000000 -0.9165500 0.0000000 -1.3207646 0.0000000 -0.4423375 0.0000000 -0.5830318 11 Ge -1.7520166 0.0000000 0.9165500 0.0000000 -1.3207646 0.0000000 0.4423375 0.0000000 -0.5830318 12 Ge -1.7520166 0.0000000 0.9165500 0.0000000 -1.3207646 0.0000000 0.4423375 0.0000000 -0.5830318 13 Ge -2.1109331 0.0000000 0.4679117 0.0000000 -1.3351586 0.0000000 0.8504972 0.0000000 -2.6637311 14 Ge -2.1109331 0.0000000 0.4679117 0.0000000 -1.3351586 0.0000000 0.8504972 0.0000000 -2.6637311 15 Ge -2.1109331 0.0000000 -0.4679117 0.0000000 -1.3351586 0.0000000 -0.8504972 0.0000000 -2.6637311 16 Ge -2.1109331 0.0000000 -0.4679117 0.0000000 -1.3351586 0.0000000 -0.8504972 0.0000000 -2.6637311 17 Ba 3.1722272 0.0000000 -1.0704475 0.0000000 2.0355255 0.0000000 0.0569356 0.0000000 2.1333317 18 Ba 3.1722272 0.0000000 -1.0704475 0.0000000 2.0355255 0.0000000 0.0569356 0.0000000 2.1333317 19 Ba 3.1722272 0.0000000 1.0704475 0.0000000 2.0355255 0.0000000 -0.0569356 0.0000000 2.1333317 20 Ba 3.1722272 0.0000000 1.0704475 0.0000000 2.0355255 0.0000000 -0.0569356 0.0000000 2.1333317 21 Ba 2.9704618 0.0000000 0.2334561 0.0000000 3.0438592 0.0000000 0.1479604 0.0000000 3.2197159 22 Ba 2.9704618 0.0000000 0.2334561 0.0000000 3.0438592 0.0000000 0.1479604 0.0000000 3.2197159 23 Ba 2.9704618 0.0000000 -0.2334561 0.0000000 3.0438592 0.0000000 -0.1479604 0.0000000 3.2197159 24 Ba 2.9704618 0.0000000 -0.2334561 0.0000000 3.0438592 0.0000000 -0.1479604 0.0000000 3.2197159 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:05:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:05:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.034174839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.725436730000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.481401030000001 Atomic positions (fractional): 1 Ge 0.81126006375241 0.93927012149135 0.34919259631705 72.640 2 Ge 0.18873993624759 0.43927012149135 0.65080740368295 72.640 3 Ge 0.31126006375241 0.56072987850865 0.15080740368295 72.640 4 Ge 0.68873993624759 0.06072987850865 0.84919259631705 72.640 5 Ge 0.18873993624759 0.06072987850865 0.65080740368295 72.640 6 Ge 0.81126006375241 0.56072987850865 0.34919259631705 72.640 7 Ge 0.68873993624759 0.43927012149135 0.84919259631705 72.640 8 Ge 0.31126006375241 0.93927012149135 0.15080740368295 72.640 9 Ge 0.07622836690726 0.75000000000000 0.09504514281897 72.640 10 Ge 0.92377163309274 0.25000000000000 0.90495485718103 72.640 11 Ge 0.57622836690726 0.75000000000000 0.40495485718103 72.640 12 Ge 0.42377163309274 0.25000000000000 0.59504514281897 72.640 13 Ge 0.30779635978693 0.75000000000000 0.95851327550160 72.640 14 Ge 0.69220364021307 0.25000000000000 0.04148672449840 72.640 15 Ge 0.80779635978693 0.75000000000000 0.54148672449840 72.640 16 Ge 0.19220364021307 0.25000000000000 0.45851327550160 72.640 17 Ba 0.84312595201497 0.25000000000000 0.59296631770061 137.327 18 Ba 0.15687404798503 0.75000000000000 0.40703368229939 137.327 19 Ba 0.34312595201497 0.25000000000000 0.90703368229939 137.327 20 Ba 0.65687404798503 0.75000000000000 0.09296631770061 137.327 21 Ba 0.01554555141671 0.25000000000000 0.18910125736917 137.327 22 Ba 0.98445444858329 0.75000000000000 0.81089874263083 137.327 23 Ba 0.51554555141671 0.25000000000000 0.31089874263083 137.327 24 Ba 0.48445444858329 0.75000000000000 0.68910125736917 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.068349679999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.450873460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.481401030000001 Atomic positions (fractional): 1 Ge 0.40563003187620 0.46963506074568 0.34919259631705 72.640 > 1 2 Ge 0.90563003187620 0.46963506074568 0.34919259631705 72.640 > 1 3 Ge 0.40563003187620 0.96963506074567 0.34919259631705 72.640 > 1 4 Ge 0.90563003187620 0.96963506074567 0.34919259631705 72.640 > 1 5 Ge 0.09436996812380 0.21963506074567 0.65080740368295 72.640 > 5 6 Ge 0.59436996812380 0.21963506074567 0.65080740368295 72.640 > 5 7 Ge 0.09436996812380 0.71963506074567 0.65080740368295 72.640 > 5 8 Ge 0.59436996812380 0.71963506074567 0.65080740368295 72.640 > 5 9 Ge 0.15563003187620 0.28036493925432 0.15080740368295 72.640 > 9 10 Ge 0.65563003187620 0.28036493925432 0.15080740368295 72.640 > 9 11 Ge 0.15563003187620 0.78036493925433 0.15080740368295 72.640 > 9 12 Ge 0.65563003187620 0.78036493925433 0.15080740368295 72.640 > 9 13 Ge 0.34436996812380 0.03036493925432 0.84919259631705 72.640 > 13 14 Ge 0.84436996812380 0.03036493925432 0.84919259631705 72.640 > 13 15 Ge 0.34436996812380 0.53036493925433 0.84919259631705 72.640 > 13 16 Ge 0.84436996812380 0.53036493925433 0.84919259631705 72.640 > 13 17 Ge 0.09436996812380 0.03036493925432 0.65080740368295 72.640 > 17 18 Ge 0.59436996812380 0.03036493925432 0.65080740368295 72.640 > 17 19 Ge 0.09436996812380 0.53036493925433 0.65080740368295 72.640 > 17 20 Ge 0.59436996812380 0.53036493925433 0.65080740368295 72.640 > 17 21 Ge 0.40563003187620 0.28036493925432 0.34919259631705 72.640 > 21 22 Ge 0.90563003187620 0.28036493925432 0.34919259631705 72.640 > 21 23 Ge 0.40563003187620 0.78036493925433 0.34919259631705 72.640 > 21 24 Ge 0.90563003187620 0.78036493925433 0.34919259631705 72.640 > 21 25 Ge 0.34436996812380 0.21963506074567 0.84919259631705 72.640 > 25 26 Ge 0.84436996812380 0.21963506074567 0.84919259631705 72.640 > 25 27 Ge 0.34436996812380 0.71963506074567 0.84919259631705 72.640 > 25 28 Ge 0.84436996812380 0.71963506074567 0.84919259631705 72.640 > 25 29 Ge 0.15563003187620 0.46963506074568 0.15080740368295 72.640 > 29 30 Ge 0.65563003187620 0.46963506074568 0.15080740368295 72.640 > 29 31 Ge 0.15563003187620 0.96963506074567 0.15080740368295 72.640 > 29 32 Ge 0.65563003187620 0.96963506074567 0.15080740368295 72.640 > 29 33 Ge 0.03811418345363 0.37500000000000 0.09504514281897 72.640 > 33 34 Ge 0.53811418345363 0.37500000000000 0.09504514281897 72.640 > 33 35 Ge 0.03811418345363 0.87500000000000 0.09504514281897 72.640 > 33 36 Ge 0.53811418345363 0.87500000000000 0.09504514281897 72.640 > 33 37 Ge 0.46188581654637 0.12500000000000 0.90495485718103 72.640 > 37 38 Ge 0.96188581654637 0.12500000000000 0.90495485718103 72.640 > 37 39 Ge 0.46188581654637 0.62500000000000 0.90495485718103 72.640 > 37 40 Ge 0.96188581654637 0.62500000000000 0.90495485718103 72.640 > 37 41 Ge 0.28811418345363 0.37500000000000 0.40495485718103 72.640 > 41 42 Ge 0.78811418345363 0.37500000000000 0.40495485718103 72.640 > 41 43 Ge 0.28811418345363 0.87500000000000 0.40495485718103 72.640 > 41 44 Ge 0.78811418345363 0.87500000000000 0.40495485718103 72.640 > 41 45 Ge 0.21188581654637 0.12500000000000 0.59504514281897 72.640 > 45 46 Ge 0.71188581654637 0.12500000000000 0.59504514281897 72.640 > 45 47 Ge 0.21188581654637 0.62500000000000 0.59504514281897 72.640 > 45 48 Ge 0.71188581654637 0.62500000000000 0.59504514281897 72.640 > 45 49 Ge 0.15389817989346 0.37500000000000 0.95851327550160 72.640 > 49 50 Ge 0.65389817989346 0.37500000000000 0.95851327550160 72.640 > 49 51 Ge 0.15389817989346 0.87500000000000 0.95851327550160 72.640 > 49 52 Ge 0.65389817989346 0.87500000000000 0.95851327550160 72.640 > 49 53 Ge 0.34610182010654 0.12500000000000 0.04148672449840 72.640 > 53 54 Ge 0.84610182010654 0.12500000000000 0.04148672449840 72.640 > 53 55 Ge 0.34610182010654 0.62500000000000 0.04148672449840 72.640 > 53 56 Ge 0.84610182010654 0.62500000000000 0.04148672449840 72.640 > 53 57 Ge 0.40389817989346 0.37500000000000 0.54148672449840 72.640 > 57 58 Ge 0.90389817989346 0.37500000000000 0.54148672449840 72.640 > 57 59 Ge 0.40389817989346 0.87500000000000 0.54148672449840 72.640 > 57 60 Ge 0.90389817989346 0.87500000000000 0.54148672449840 72.640 > 57 61 Ge 0.09610182010654 0.12500000000000 0.45851327550160 72.640 > 61 62 Ge 0.59610182010654 0.12500000000000 0.45851327550160 72.640 > 61 63 Ge 0.09610182010654 0.62500000000000 0.45851327550160 72.640 > 61 64 Ge 0.59610182010654 0.62500000000000 0.45851327550160 72.640 > 61 65 Ba 0.42156297600749 0.12500000000000 0.59296631770061 137.327 > 65 66 Ba 0.92156297600749 0.12500000000000 0.59296631770061 137.327 > 65 67 Ba 0.42156297600749 0.62500000000000 0.59296631770061 137.327 > 65 68 Ba 0.92156297600749 0.62500000000000 0.59296631770061 137.327 > 65 69 Ba 0.07843702399251 0.37500000000000 0.40703368229939 137.327 > 69 70 Ba 0.57843702399251 0.37500000000000 0.40703368229939 137.327 > 69 71 Ba 0.07843702399251 0.87500000000000 0.40703368229939 137.327 > 69 72 Ba 0.57843702399251 0.87500000000000 0.40703368229939 137.327 > 69 73 Ba 0.17156297600749 0.12500000000000 0.90703368229939 137.327 > 73 74 Ba 0.67156297600749 0.12500000000000 0.90703368229939 137.327 > 73 75 Ba 0.17156297600749 0.62500000000000 0.90703368229939 137.327 > 73 76 Ba 0.67156297600749 0.62500000000000 0.90703368229939 137.327 > 73 77 Ba 0.32843702399251 0.37500000000000 0.09296631770061 137.327 > 77 78 Ba 0.82843702399251 0.37500000000000 0.09296631770061 137.327 > 77 79 Ba 0.32843702399251 0.87500000000000 0.09296631770061 137.327 > 77 80 Ba 0.82843702399251 0.87500000000000 0.09296631770061 137.327 > 77 81 Ba 0.00777277570836 0.12500000000000 0.18910125736917 137.327 > 81 82 Ba 0.50777277570836 0.12500000000000 0.18910125736917 137.327 > 81 83 Ba 0.00777277570836 0.62500000000000 0.18910125736917 137.327 > 81 84 Ba 0.50777277570836 0.62500000000000 0.18910125736917 137.327 > 81 85 Ba 0.49222722429164 0.37500000000000 0.81089874263083 137.327 > 85 86 Ba 0.99222722429164 0.37500000000000 0.81089874263083 137.327 > 85 87 Ba 0.49222722429164 0.87500000000000 0.81089874263083 137.327 > 85 88 Ba 0.99222722429164 0.87500000000000 0.81089874263083 137.327 > 85 89 Ba 0.25777277570836 0.12500000000000 0.31089874263083 137.327 > 89 90 Ba 0.75777277570836 0.12500000000000 0.31089874263083 137.327 > 89 91 Ba 0.25777277570836 0.62500000000000 0.31089874263083 137.327 > 89 92 Ba 0.75777277570836 0.62500000000000 0.31089874263083 137.327 > 89 93 Ba 0.24222722429164 0.37500000000000 0.68910125736917 137.327 > 93 94 Ba 0.74222722429164 0.37500000000000 0.68910125736917 137.327 > 93 95 Ba 0.24222722429164 0.87500000000000 0.68910125736917 137.327 > 93 96 Ba 0.74222722429164 0.87500000000000 0.68910125736917 137.327 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 21.6803116 0.0000000 0.0000000 0.0000000 13.9141368 0.0000000 0.0000000 0.0000000 17.8201461 -------------------------- Born effective charges -------------------------- 1 Ge -1.1398696 -0.4463021 -0.0838363 0.1431236 -1.2117307 0.2675806 0.2204062 0.2875080 -1.0531423 2 Ge -1.1398696 0.4463021 -0.0838363 -0.1431236 -1.2117307 -0.2675806 0.2204062 -0.2875080 -1.0531423 3 Ge -1.1398696 0.4463021 0.0838363 -0.1431236 -1.2117307 0.2675806 -0.2204062 0.2875080 -1.0531423 4 Ge -1.1398696 -0.4463021 0.0838363 0.1431236 -1.2117307 -0.2675806 -0.2204062 -0.2875080 -1.0531423 5 Ge -1.1398696 -0.4463021 -0.0838363 0.1431236 -1.2117307 0.2675806 0.2204062 0.2875080 -1.0531423 6 Ge -1.1398696 0.4463021 -0.0838363 -0.1431236 -1.2117307 -0.2675806 0.2204062 -0.2875080 -1.0531423 7 Ge -1.1398696 0.4463021 0.0838363 -0.1431236 -1.2117307 0.2675806 -0.2204062 0.2875080 -1.0531423 8 Ge -1.1398696 -0.4463021 0.0838363 0.1431236 -1.2117307 -0.2675806 -0.2204062 -0.2875080 -1.0531423 9 Ge -1.7520166 0.0000000 -0.9165500 0.0000000 -1.3207646 0.0000000 -0.4423375 0.0000000 -0.5830318 10 Ge -1.7520166 0.0000000 -0.9165500 0.0000000 -1.3207646 0.0000000 -0.4423375 0.0000000 -0.5830318 11 Ge -1.7520166 0.0000000 0.9165500 0.0000000 -1.3207646 0.0000000 0.4423375 0.0000000 -0.5830318 12 Ge -1.7520166 0.0000000 0.9165500 0.0000000 -1.3207646 0.0000000 0.4423375 0.0000000 -0.5830318 13 Ge -2.1109331 0.0000000 0.4679117 0.0000000 -1.3351586 0.0000000 0.8504972 0.0000000 -2.6637311 14 Ge -2.1109331 0.0000000 0.4679117 0.0000000 -1.3351586 0.0000000 0.8504972 0.0000000 -2.6637311 15 Ge -2.1109331 0.0000000 -0.4679117 0.0000000 -1.3351586 0.0000000 -0.8504972 0.0000000 -2.6637311 16 Ge -2.1109331 0.0000000 -0.4679117 0.0000000 -1.3351586 0.0000000 -0.8504972 0.0000000 -2.6637311 17 Ba 3.1722272 0.0000000 -1.0704475 0.0000000 2.0355255 0.0000000 0.0569356 0.0000000 2.1333317 18 Ba 3.1722272 0.0000000 -1.0704475 0.0000000 2.0355255 0.0000000 0.0569356 0.0000000 2.1333317 19 Ba 3.1722272 0.0000000 1.0704475 0.0000000 2.0355255 0.0000000 -0.0569356 0.0000000 2.1333317 20 Ba 3.1722272 0.0000000 1.0704475 0.0000000 2.0355255 0.0000000 -0.0569356 0.0000000 2.1333317 21 Ba 2.9704618 0.0000000 0.2334561 0.0000000 3.0438592 0.0000000 0.1479604 0.0000000 3.2197159 22 Ba 2.9704618 0.0000000 0.2334561 0.0000000 3.0438592 0.0000000 0.1479604 0.0000000 3.2197159 23 Ba 2.9704618 0.0000000 -0.2334561 0.0000000 3.0438592 0.0000000 -0.1479604 0.0000000 3.2197159 24 Ba 2.9704618 0.0000000 -0.2334561 0.0000000 3.0438592 0.0000000 -0.1479604 0.0000000 3.2197159 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 7 4 ] 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: 0.47, Number of G-points: 301, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.250 ( 0.000 0.000 0.000) 0.000 1.401 ( 0.000 0.000 0.000) 0.000 1.444 ( 0.000 0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.730 ( 0.000 0.000 0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.845 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.938 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 4.849 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 0.000 0.000) 0.000 6.275 ( 0.000 0.000 0.000) 0.000 8.171 ( 0.000 0.000 0.000) 0.000 8.336 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.386 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 19.184 0.000 0.000) 19.184 0.365 ( 19.656 0.000 0.000) 19.656 0.531 ( 28.281 0.000 0.000) 28.281 1.271 ( 2.188 0.000 0.000) 2.188 1.381 ( -1.969 0.000 0.000) 1.969 1.385 ( -4.738 0.000 0.000) 4.738 1.410 ( -6.142 0.000 0.000) 6.142 1.516 ( -7.077 0.000 0.000) 7.077 1.556 ( -1.229 0.000 0.000) 1.229 1.640 ( -0.182 0.000 0.000) 0.182 1.680 ( -4.290 0.000 0.000) 4.290 1.737 ( -0.503 0.000 0.000) 0.503 1.811 ( -1.710 0.000 0.000) 1.710 1.828 ( 0.030 0.000 0.000) 0.030 1.866 ( 2.128 0.000 0.000) 2.128 1.886 ( 1.647 0.000 0.000) 1.647 1.924 ( -0.496 0.000 0.000) 0.496 2.016 ( 2.990 0.000 0.000) 2.990 2.047 ( -2.139 0.000 0.000) 2.139 2.057 ( -2.708 0.000 0.000) 2.708 2.078 ( -2.477 0.000 0.000) 2.477 2.141 ( -0.719 0.000 0.000) 0.719 2.145 ( 2.961 0.000 0.000) 2.961 2.208 ( 2.413 0.000 0.000) 2.413 2.229 ( 3.189 0.000 0.000) 3.189 2.456 ( -1.866 0.000 0.000) 1.866 2.472 ( 3.814 0.000 0.000) 3.814 2.480 ( -3.621 0.000 0.000) 3.621 2.492 ( 1.031 0.000 0.000) 1.031 2.508 ( 6.850 0.000 0.000) 6.850 2.546 ( -3.835 0.000 0.000) 3.835 2.550 ( 0.096 0.000 0.000) 0.096 2.576 ( 3.542 0.000 0.000) 3.542 2.598 ( -0.805 0.000 0.000) 0.805 2.760 ( -4.600 0.000 0.000) 4.600 2.773 ( -1.709 0.000 0.000) 1.709 2.852 ( -2.654 0.000 0.000) 2.654 2.924 ( 1.631 0.000 0.000) 1.631 2.967 ( 3.084 0.000 0.000) 3.084 2.984 ( 1.797 0.000 0.000) 1.797 3.045 ( 2.552 0.000 0.000) 2.552 3.113 ( -0.866 0.000 0.000) 0.866 3.180 ( 0.911 0.000 0.000) 0.911 3.197 ( 0.270 0.000 0.000) 0.270 3.229 ( -0.229 0.000 0.000) 0.229 3.246 ( -0.526 0.000 0.000) 0.526 3.332 ( -1.777 0.000 0.000) 1.777 3.511 ( -3.185 0.000 0.000) 3.185 4.353 ( 0.902 0.000 0.000) 0.902 4.452 ( -0.881 0.000 0.000) 0.881 4.475 ( -1.247 0.000 0.000) 1.247 4.491 ( -1.285 0.000 0.000) 1.285 4.781 ( -0.296 0.000 0.000) 0.296 4.819 ( -0.623 0.000 0.000) 0.623 4.856 ( 0.761 0.000 0.000) 0.761 4.878 ( 0.727 0.000 0.000) 0.727 5.710 ( 1.016 0.000 0.000) 1.016 5.754 ( 0.033 0.000 0.000) 0.033 5.810 ( -1.064 0.000 0.000) 1.064 5.869 ( -1.474 0.000 0.000) 1.474 5.966 ( 0.455 0.000 0.000) 0.455 6.005 ( -0.554 0.000 0.000) 0.554 6.029 ( 0.379 0.000 0.000) 0.379 6.049 ( -0.295 0.000 0.000) 0.295 6.190 ( -0.399 0.000 0.000) 0.399 6.230 ( -1.021 0.000 0.000) 1.021 6.265 ( 0.886 0.000 0.000) 0.886 6.285 ( 0.544 0.000 0.000) 0.544 8.190 ( 1.987 0.000 0.000) 1.987 8.336 ( -0.126 0.000 0.000) 0.126 8.351 ( -0.691 0.000 0.000) 0.691 8.378 ( -0.799 0.000 0.000) 0.799 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 17.745 0.000 0.000) 17.745 0.721 ( 18.788 0.000 0.000) 18.788 1.029 ( 25.093 0.000 0.000) 25.093 1.252 ( -11.062 0.000 0.000) 11.062 1.316 ( -2.109 0.000 0.000) 2.109 1.320 ( -9.902 0.000 0.000) 9.902 1.329 ( 4.067 0.000 0.000) 4.067 1.352 ( -4.817 0.000 0.000) 4.817 1.503 ( -4.051 0.000 0.000) 4.051 1.609 ( -2.718 0.000 0.000) 2.718 1.624 ( -1.541 0.000 0.000) 1.541 1.672 ( -7.261 0.000 0.000) 7.261 1.799 ( 0.568 0.000 0.000) 0.568 1.826 ( -0.309 0.000 0.000) 0.309 1.918 ( 3.282 0.000 0.000) 3.282 1.919 ( 1.415 0.000 0.000) 1.415 1.927 ( 0.570 0.000 0.000) 0.570 2.005 ( -1.942 0.000 0.000) 1.942 2.029 ( -0.852 0.000 0.000) 0.852 2.036 ( -1.749 0.000 0.000) 1.749 2.079 ( 3.716 0.000 0.000) 3.716 2.112 ( -1.487 0.000 0.000) 1.487 2.174 ( -0.116 0.000 0.000) 0.116 2.232 ( -4.677 0.000 0.000) 4.677 2.252 ( 2.355 0.000 0.000) 2.355 2.374 ( -5.902 0.000 0.000) 5.902 2.436 ( -0.295 0.000 0.000) 0.295 2.469 ( -2.264 0.000 0.000) 2.264 2.517 ( 1.583 0.000 0.000) 1.583 2.550 ( -0.137 0.000 0.000) 0.137 2.559 ( 5.129 0.000 0.000) 5.129 2.614 ( 1.513 0.000 0.000) 1.513 2.617 ( 2.783 0.000 0.000) 2.783 2.671 ( 7.175 0.000 0.000) 7.175 2.726 ( -3.388 0.000 0.000) 3.388 2.727 ( 0.071 0.000 0.000) 0.071 2.815 ( -0.647 0.000 0.000) 0.647 2.966 ( -3.180 0.000 0.000) 3.180 2.968 ( 2.979 0.000 0.000) 2.979 3.024 ( 2.982 0.000 0.000) 2.982 3.083 ( -2.371 0.000 0.000) 2.371 3.086 ( 1.002 0.000 0.000) 1.002 3.200 ( 1.159 0.000 0.000) 1.159 3.201 ( 0.103 0.000 0.000) 0.103 3.225 ( -0.235 0.000 0.000) 0.235 3.259 ( 2.664 0.000 0.000) 2.664 3.286 ( -3.112 0.000 0.000) 3.112 3.431 ( -5.167 0.000 0.000) 5.167 4.376 ( 1.563 0.000 0.000) 1.563 4.436 ( -0.553 0.000 0.000) 0.553 4.444 ( -1.968 0.000 0.000) 1.968 4.463 ( -1.606 0.000 0.000) 1.606 4.778 ( 0.104 0.000 0.000) 0.104 4.803 ( -1.010 0.000 0.000) 1.010 4.874 ( 1.068 0.000 0.000) 1.068 4.890 ( 0.409 0.000 0.000) 0.409 5.737 ( 1.911 0.000 0.000) 1.911 5.757 ( 0.407 0.000 0.000) 0.407 5.786 ( -1.323 0.000 0.000) 1.323 5.832 ( -2.466 0.000 0.000) 2.466 5.977 ( 0.643 0.000 0.000) 0.643 5.996 ( -0.419 0.000 0.000) 0.419 6.034 ( 0.146 0.000 0.000) 0.146 6.042 ( -0.385 0.000 0.000) 0.385 6.186 ( 0.040 0.000 0.000) 0.040 6.209 ( -1.080 0.000 0.000) 1.080 6.282 ( 0.829 0.000 0.000) 0.829 6.293 ( 0.263 0.000 0.000) 0.263 8.237 ( 2.884 0.000 0.000) 2.884 8.329 ( -1.714 0.000 0.000) 1.714 8.336 ( 0.172 0.000 0.000) 0.172 8.361 ( -0.985 0.000 0.000) 0.985 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -15.171 0.000 0.000) 15.171 1.007 ( 15.171 0.000 0.000) 15.171 1.049 ( -16.510 0.000 0.000) 16.510 1.049 ( 16.510 0.000 0.000) 16.510 1.308 ( -0.698 0.000 0.000) 0.698 1.308 ( 0.698 0.000 0.000) 0.698 1.415 ( -5.035 0.000 0.000) 5.035 1.415 ( 5.035 0.000 0.000) 5.035 1.444 ( -17.438 0.000 0.000) 17.438 1.444 ( 17.438 0.000 0.000) 17.438 1.596 ( -0.953 0.000 0.000) 0.953 1.596 ( 0.953 0.000 0.000) 0.953 1.815 ( -0.822 0.000 0.000) 0.822 1.815 ( 0.822 0.000 0.000) 0.822 1.933 ( -0.128 0.000 0.000) 0.128 1.933 ( 0.128 0.000 0.000) 0.128 1.973 ( -2.256 0.000 0.000) 2.256 1.973 ( 2.256 0.000 0.000) 2.256 2.019 ( -0.124 0.000 0.000) 0.124 2.019 ( 0.124 0.000 0.000) 0.124 2.123 ( -3.731 0.000 0.000) 3.731 2.123 ( 3.731 0.000 0.000) 3.731 2.143 ( -2.890 0.000 0.000) 2.890 2.143 ( 2.890 0.000 0.000) 2.890 2.301 ( -3.075 0.000 0.000) 3.075 2.301 ( 3.075 0.000 0.000) 3.075 2.442 ( -0.881 0.000 0.000) 0.881 2.442 ( 0.881 0.000 0.000) 0.881 2.541 ( -0.890 0.000 0.000) 0.890 2.541 ( 0.890 0.000 0.000) 0.890 2.637 ( -0.409 0.000 0.000) 0.409 2.637 ( 0.409 0.000 0.000) 0.409 2.651 ( -4.644 0.000 0.000) 4.644 2.651 ( 4.644 0.000 0.000) 4.644 2.734 ( -0.012 0.000 0.000) 0.012 2.734 ( 0.012 0.000 0.000) 0.012 2.875 ( -6.059 0.000 0.000) 6.059 2.875 ( 6.059 0.000 0.000) 6.059 3.028 ( -3.383 0.000 0.000) 3.383 3.028 ( 3.383 0.000 0.000) 3.383 3.073 ( -2.107 0.000 0.000) 2.107 3.073 ( 2.107 0.000 0.000) 2.107 3.218 ( -0.676 0.000 0.000) 0.676 3.218 ( 0.676 0.000 0.000) 0.676 3.227 ( -2.792 0.000 0.000) 2.792 3.227 ( 2.792 0.000 0.000) 2.792 3.334 ( -4.995 0.000 0.000) 4.995 3.334 ( 4.995 0.000 0.000) 4.995 4.408 ( -1.852 0.000 0.000) 1.852 4.408 ( 1.852 0.000 0.000) 1.852 4.438 ( -0.846 0.000 0.000) 0.846 4.438 ( 0.846 0.000 0.000) 0.846 4.786 ( -0.724 0.000 0.000) 0.724 4.786 ( 0.724 0.000 0.000) 0.724 4.890 ( -0.477 0.000 0.000) 0.477 4.890 ( 0.477 0.000 0.000) 0.477 5.765 ( -0.985 0.000 0.000) 0.985 5.765 ( 0.985 0.000 0.000) 0.985 5.784 ( -2.511 0.000 0.000) 2.511 5.784 ( 2.511 0.000 0.000) 2.511 5.988 ( -0.492 0.000 0.000) 0.492 5.988 ( 0.492 0.000 0.000) 0.492 6.036 ( -0.201 0.000 0.000) 0.201 6.036 ( 0.201 0.000 0.000) 0.201 6.193 ( -0.678 0.000 0.000) 0.678 6.193 ( 0.678 0.000 0.000) 0.678 6.293 ( -0.298 0.000 0.000) 0.298 6.293 ( 0.298 0.000 0.000) 0.298 8.289 ( -2.561 0.000 0.000) 2.561 8.289 ( 2.561 0.000 0.000) 2.561 8.344 ( -0.747 0.000 0.000) 0.747 8.344 ( 0.747 0.000 0.000) 0.747 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 16.769 0.000) 16.769 0.406 ( 0.000 18.648 0.000) 18.648 0.744 ( 0.000 33.103 0.000) 33.103 1.377 ( 0.000 10.706 0.000) 10.706 1.401 ( 0.000 -2.956 0.000) 2.956 1.427 ( 0.000 2.512 0.000) 2.512 1.473 ( 0.000 -2.057 0.000) 2.057 1.593 ( 0.000 0.777 0.000) 0.777 1.641 ( 0.000 6.616 0.000) 6.616 1.656 ( 0.000 0.930 0.000) 0.930 1.691 ( 0.000 -0.246 0.000) 0.246 1.729 ( 0.000 -0.583 0.000) 0.583 1.857 ( 0.000 -2.691 0.000) 2.691 1.863 ( 0.000 1.004 0.000) 1.004 1.868 ( 0.000 4.835 0.000) 4.835 1.955 ( 0.000 6.822 0.000) 6.822 1.983 ( 0.000 4.293 0.000) 4.293 1.996 ( 0.000 2.016 0.000) 2.016 2.063 ( 0.000 -2.116 0.000) 2.116 2.112 ( 0.000 0.576 0.000) 0.576 2.114 ( 0.000 0.047 0.000) 0.047 2.144 ( 0.000 5.368 0.000) 5.368 2.147 ( 0.000 2.059 0.000) 2.059 2.211 ( 0.000 4.388 0.000) 4.388 2.216 ( 0.000 2.662 0.000) 2.662 2.345 ( 0.000 -1.855 0.000) 1.855 2.358 ( 0.000 -4.610 0.000) 4.610 2.401 ( 0.000 -4.738 0.000) 4.738 2.468 ( 0.000 -1.368 0.000) 1.368 2.492 ( 0.000 -0.087 0.000) 0.087 2.539 ( 0.000 -0.679 0.000) 0.679 2.570 ( 0.000 1.782 0.000) 1.782 2.615 ( 0.000 4.593 0.000) 4.593 2.667 ( 0.000 1.810 0.000) 1.810 2.691 ( 0.000 -7.717 0.000) 7.717 2.773 ( 0.000 -6.144 0.000) 6.144 2.877 ( 0.000 -0.541 0.000) 0.541 2.926 ( 0.000 3.884 0.000) 3.884 2.963 ( 0.000 0.662 0.000) 0.662 2.993 ( 0.000 3.114 0.000) 3.114 3.012 ( 0.000 -8.367 0.000) 8.367 3.059 ( 0.000 2.585 0.000) 2.585 3.159 ( 0.000 -3.099 0.000) 3.099 3.177 ( 0.000 -5.232 0.000) 5.232 3.260 ( 0.000 0.605 0.000) 0.605 3.298 ( 0.000 3.485 0.000) 3.485 3.310 ( 0.000 -3.502 0.000) 3.502 3.552 ( 0.000 -4.976 0.000) 4.976 4.348 ( 0.000 0.339 0.000) 0.339 4.390 ( 0.000 -0.239 0.000) 0.239 4.480 ( 0.000 -0.547 0.000) 0.547 4.499 ( 0.000 -0.460 0.000) 0.460 4.784 ( 0.000 0.025 0.000) 0.025 4.825 ( 0.000 0.054 0.000) 0.054 4.852 ( 0.000 0.234 0.000) 0.234 4.865 ( 0.000 -0.503 0.000) 0.503 5.700 ( 0.000 -0.005 0.000) 0.005 5.748 ( 0.000 -0.512 0.000) 0.512 5.821 ( 0.000 0.155 0.000) 0.155 5.881 ( 0.000 -0.230 0.000) 0.230 5.971 ( 0.000 0.773 0.000) 0.773 6.018 ( 0.000 0.429 0.000) 0.429 6.027 ( 0.000 0.373 0.000) 0.373 6.052 ( 0.000 -0.019 0.000) 0.019 6.194 ( 0.000 -0.060 0.000) 0.060 6.242 ( 0.000 0.048 0.000) 0.048 6.249 ( 0.000 -0.633 0.000) 0.633 6.272 ( 0.000 -0.251 0.000) 0.251 8.183 ( 0.000 1.079 0.000) 1.079 8.332 ( 0.000 -0.411 0.000) 0.411 8.346 ( 0.000 -0.933 0.000) 0.933 8.373 ( 0.000 -1.192 0.000) 1.192 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 9.699 13.251 0.000) 16.422 0.497 ( 13.415 10.957 0.000) 17.321 0.922 ( 15.757 25.208 0.000) 29.728 1.333 ( -4.806 -2.134 0.000) 5.259 1.387 ( 0.438 8.884 0.000) 8.895 1.412 ( -1.172 3.749 0.000) 3.928 1.512 ( 2.223 -0.744 0.000) 2.344 1.537 ( -8.289 4.890 0.000) 9.624 1.540 ( -5.656 2.676 0.000) 6.257 1.654 ( 0.699 0.756 0.000) 1.029 1.712 ( -0.285 0.054 0.000) 0.290 1.749 ( 0.514 2.724 0.000) 2.772 1.813 ( -1.721 -0.326 0.000) 1.751 1.863 ( -0.090 1.067 0.000) 1.071 1.865 ( -1.417 1.984 0.000) 2.438 1.949 ( -2.411 3.264 0.000) 4.058 1.957 ( 1.047 4.321 0.000) 4.446 2.001 ( -0.833 -0.045 0.000) 0.834 2.077 ( -1.479 0.188 0.000) 1.491 2.081 ( -2.059 3.204 0.000) 3.808 2.122 ( 0.050 2.132 0.000) 2.132 2.130 ( 0.109 1.739 0.000) 1.742 2.151 ( 2.714 1.125 0.000) 2.938 2.236 ( 1.282 3.012 0.000) 3.273 2.240 ( 1.795 0.838 0.000) 1.981 2.379 ( -0.097 -4.125 0.000) 4.126 2.396 ( 0.813 -4.648 0.000) 4.719 2.408 ( 4.183 -3.643 0.000) 5.547 2.462 ( -0.381 -0.198 0.000) 0.429 2.512 ( -1.761 0.124 0.000) 1.766 2.539 ( 4.094 -0.804 0.000) 4.173 2.578 ( 0.004 0.073 0.000) 0.073 2.606 ( -0.464 -1.136 0.000) 1.227 2.665 ( -1.095 4.179 0.000) 4.320 2.717 ( 2.419 -1.148 0.000) 2.678 2.757 ( -1.478 -1.979 0.000) 2.470 2.870 ( -1.036 -0.248 0.000) 1.065 2.892 ( 0.175 -0.261 0.000) 0.315 2.960 ( -0.727 -3.477 0.000) 3.552 2.999 ( 0.793 2.305 0.000) 2.437 3.016 ( 0.474 -3.267 0.000) 3.301 3.125 ( 4.773 1.138 0.000) 4.907 3.153 ( -1.652 -1.874 0.000) 2.498 3.182 ( 0.962 -3.035 0.000) 3.184 3.249 ( -1.308 0.751 0.000) 1.509 3.293 ( -0.410 3.001 0.000) 3.029 3.301 ( -1.111 -2.902 0.000) 3.107 3.446 ( -6.534 -4.789 0.000) 8.101 4.358 ( 1.039 0.472 0.000) 1.142 4.426 ( 1.345 -1.374 0.000) 1.923 4.471 ( -0.956 -0.334 0.000) 1.013 4.488 ( -1.099 -0.265 0.000) 1.130 4.783 ( -0.077 0.222 0.000) 0.235 4.822 ( -0.328 0.270 0.000) 0.425 4.858 ( 0.538 0.100 0.000) 0.547 4.873 ( 0.746 -0.489 0.000) 0.892 5.710 ( 1.092 0.061 0.000) 1.093 5.750 ( 0.199 -0.368 0.000) 0.418 5.812 ( -0.975 0.232 0.000) 1.002 5.867 ( -1.412 -0.192 0.000) 1.425 5.975 ( 0.452 0.795 0.000) 0.914 6.011 ( -0.487 0.514 0.000) 0.708 6.033 ( 0.340 0.312 0.000) 0.461 6.050 ( -0.223 0.055 0.000) 0.230 6.191 ( -0.230 0.102 0.000) 0.252 6.231 ( -0.904 0.168 0.000) 0.920 6.258 ( 0.911 -0.619 0.000) 1.102 6.280 ( 0.592 -0.386 0.000) 0.707 8.200 ( 1.765 0.884 0.000) 1.974 8.331 ( -0.113 -0.457 0.000) 0.470 8.341 ( -0.581 -0.848 0.000) 1.028 8.366 ( -0.695 -1.098 0.000) 1.300 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 16.108 4.539 0.000) 16.735 0.781 ( 16.369 5.538 0.000) 17.280 1.222 ( 13.590 11.140 0.000) 17.573 1.242 ( -6.638 -0.477 0.000) 6.655 1.330 ( -10.306 2.381 0.000) 10.578 1.369 ( -7.786 1.857 0.000) 8.005 1.378 ( 0.766 7.691 0.000) 7.729 1.486 ( 2.645 10.273 0.000) 10.608 1.540 ( 0.316 5.661 0.000) 5.670 1.666 ( 0.017 2.835 0.000) 2.835 1.670 ( -2.976 4.084 0.000) 5.054 1.717 ( -3.895 2.950 0.000) 4.886 1.824 ( 1.432 1.406 0.000) 2.007 1.849 ( 0.428 -2.788 0.000) 2.820 1.858 ( -0.407 1.001 0.000) 1.080 1.905 ( -2.140 -0.704 0.000) 2.253 1.974 ( 0.331 2.077 0.000) 2.103 1.978 ( -1.010 -0.764 0.000) 1.266 2.039 ( -1.611 1.293 0.000) 2.066 2.044 ( -1.813 2.259 0.000) 2.896 2.115 ( -0.370 0.440 0.000) 0.575 2.162 ( 2.875 4.781 0.000) 5.578 2.188 ( -0.319 1.763 0.000) 1.791 2.250 ( -1.635 1.423 0.000) 2.167 2.257 ( 1.223 1.069 0.000) 1.624 2.347 ( -3.335 -2.785 0.000) 4.344 2.399 ( 0.664 -3.256 0.000) 3.323 2.432 ( -0.405 0.114 0.000) 0.421 2.489 ( 2.100 -3.927 0.000) 4.453 2.519 ( 2.467 -1.951 0.000) 3.145 2.554 ( -2.277 0.345 0.000) 2.303 2.599 ( -0.395 -4.072 0.000) 4.091 2.617 ( 3.272 -0.170 0.000) 3.277 2.640 ( -0.027 3.113 0.000) 3.113 2.765 ( 1.695 1.303 0.000) 2.138 2.776 ( 4.033 1.994 0.000) 4.499 2.839 ( -2.112 1.264 0.000) 2.461 2.907 ( -0.972 -4.409 0.000) 4.514 2.961 ( 1.718 -1.901 0.000) 2.562 3.014 ( 0.265 -0.304 0.000) 0.404 3.038 ( 2.545 -2.351 0.000) 3.464 3.119 ( -1.161 -0.135 0.000) 1.169 3.191 ( -0.588 -0.995 0.000) 1.156 3.196 ( 1.711 -0.219 0.000) 1.725 3.212 ( -1.734 0.919 0.000) 1.962 3.264 ( -2.691 -2.900 0.000) 3.956 3.291 ( 0.385 1.461 0.000) 1.511 3.355 ( -3.384 -5.914 0.000) 6.814 4.384 ( 1.624 0.668 0.000) 1.756 4.435 ( 0.166 -0.056 0.000) 0.175 4.446 ( -1.632 0.212 0.000) 1.646 4.464 ( -1.328 0.134 0.000) 1.335 4.785 ( 0.301 0.574 0.000) 0.649 4.811 ( -0.875 0.635 0.000) 1.081 4.873 ( 0.904 -0.166 0.000) 0.919 4.885 ( 0.451 -0.431 0.000) 0.624 5.739 ( 1.982 0.177 0.000) 1.990 5.756 ( 0.601 -0.045 0.000) 0.602 5.790 ( -1.278 0.344 0.000) 1.324 5.831 ( -2.345 -0.038 0.000) 2.346 5.986 ( 0.627 0.789 0.000) 1.008 6.003 ( -0.350 0.630 0.000) 0.720 6.037 ( 0.125 0.265 0.000) 0.293 6.044 ( -0.345 0.174 0.000) 0.387 6.190 ( 0.184 0.384 0.000) 0.426 6.214 ( -0.954 0.382 0.000) 1.028 6.276 ( 0.880 -0.556 0.000) 1.041 6.288 ( 0.255 -0.424 0.000) 0.495 8.242 ( 2.559 0.409 0.000) 2.591 8.322 ( -1.487 -0.572 0.000) 1.593 8.330 ( 0.112 -0.506 0.000) 0.518 8.351 ( -0.838 -0.887 0.000) 1.220 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -14.946 1.673 0.000) 15.039 1.028 ( 14.946 1.673 0.000) 15.039 1.078 ( -15.227 2.580 0.000) 15.444 1.078 ( 15.227 2.580 0.000) 15.444 1.311 ( -0.307 0.005 0.000) 0.307 1.311 ( 0.307 0.005 0.000) 0.307 1.493 ( -5.933 10.758 0.000) 12.285 1.493 ( 5.933 10.758 0.000) 12.285 1.595 ( -8.389 9.350 0.000) 12.562 1.595 ( 8.389 9.350 0.000) 12.562 1.653 ( -0.820 4.431 0.000) 4.506 1.653 ( 0.820 4.431 0.000) 4.506 1.848 ( -0.884 1.842 0.000) 2.043 1.848 ( 0.884 1.842 0.000) 2.043 1.871 ( -1.592 -4.976 0.000) 5.224 1.871 ( 1.592 -4.976 0.000) 5.224 1.972 ( -0.156 -0.324 0.000) 0.360 1.972 ( 0.156 -0.324 0.000) 0.360 2.025 ( -0.015 2.067 0.000) 2.067 2.025 ( 0.015 2.067 0.000) 2.067 2.135 ( -3.046 1.710 0.000) 3.493 2.135 ( 3.046 1.710 0.000) 3.493 2.212 ( -2.219 4.302 0.000) 4.841 2.212 ( 2.219 4.302 0.000) 4.841 2.289 ( -2.476 -0.904 0.000) 2.636 2.289 ( 2.476 -0.904 0.000) 2.636 2.422 ( -0.866 -1.504 0.000) 1.736 2.422 ( 0.866 -1.504 0.000) 1.736 2.519 ( -1.438 -1.875 0.000) 2.363 2.519 ( 1.438 -1.875 0.000) 2.363 2.571 ( -2.499 -3.605 0.000) 4.387 2.571 ( 2.499 -3.605 0.000) 4.387 2.648 ( -0.051 1.164 0.000) 1.165 2.648 ( 0.051 1.164 0.000) 1.165 2.800 ( -2.031 1.840 0.000) 2.740 2.800 ( 2.031 1.840 0.000) 2.740 2.856 ( -4.037 -1.314 0.000) 4.245 2.856 ( 4.037 -1.314 0.000) 4.245 2.995 ( -1.782 -2.376 0.000) 2.970 2.995 ( 1.782 -2.376 0.000) 2.970 3.107 ( -2.937 1.384 0.000) 3.247 3.107 ( 2.937 1.384 0.000) 3.247 3.162 ( -0.549 -2.497 0.000) 2.557 3.162 ( 0.549 -2.497 0.000) 2.557 3.231 ( -1.005 -1.759 0.000) 2.026 3.231 ( 1.005 -1.759 0.000) 2.026 3.311 ( -1.695 -1.462 0.000) 2.239 3.311 ( 1.695 -1.462 0.000) 2.239 4.415 ( -1.721 0.601 0.000) 1.823 4.415 ( 1.721 0.601 0.000) 1.823 4.443 ( -0.832 0.428 0.000) 0.935 4.443 ( 0.832 0.428 0.000) 0.935 4.795 ( -0.766 0.748 0.000) 1.071 4.795 ( 0.766 0.748 0.000) 1.071 4.886 ( -0.406 -0.336 0.000) 0.527 4.886 ( 0.406 -0.336 0.000) 0.527 5.768 ( -1.066 0.298 0.000) 1.107 5.768 ( 1.066 0.298 0.000) 1.107 5.785 ( -2.489 0.106 0.000) 2.491 5.785 ( 2.489 0.106 0.000) 2.491 5.996 ( -0.442 0.732 0.000) 0.855 5.996 ( 0.442 0.732 0.000) 0.855 6.039 ( -0.182 0.234 0.000) 0.296 6.039 ( 0.182 0.234 0.000) 0.296 6.198 ( -0.671 0.502 0.000) 0.838 6.198 ( 0.671 0.502 0.000) 0.838 6.288 ( -0.339 -0.476 0.000) 0.584 6.288 ( 0.339 -0.476 0.000) 0.584 8.287 ( -2.254 -0.128 0.000) 2.258 8.287 ( 2.254 -0.128 0.000) 2.258 8.337 ( -0.617 -0.657 0.000) 0.901 8.337 ( 0.617 -0.657 0.000) 0.901 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 16.924 0.000) 16.924 0.783 ( 0.000 16.641 0.000) 16.641 1.295 ( 0.000 12.903 0.000) 12.903 1.343 ( 0.000 -1.992 0.000) 1.992 1.411 ( 0.000 -2.715 0.000) 2.715 1.540 ( 0.000 7.760 0.000) 7.760 1.587 ( 0.000 -7.211 0.000) 7.211 1.621 ( 0.000 5.029 0.000) 5.029 1.635 ( 0.000 11.858 0.000) 11.858 1.715 ( 0.000 -5.491 0.000) 5.491 1.716 ( 0.000 6.263 0.000) 6.263 1.752 ( 0.000 1.328 0.000) 1.328 1.826 ( 0.000 -3.568 0.000) 3.568 1.895 ( 0.000 7.253 0.000) 7.253 1.957 ( 0.000 2.988 0.000) 2.988 1.976 ( 0.000 -3.338 0.000) 3.338 2.062 ( 0.000 3.084 0.000) 3.084 2.071 ( 0.000 3.883 0.000) 3.883 2.079 ( 0.000 3.106 0.000) 3.106 2.153 ( 0.000 4.960 0.000) 4.960 2.187 ( 0.000 0.497 0.000) 0.497 2.218 ( 0.000 6.312 0.000) 6.312 2.240 ( 0.000 -1.218 0.000) 1.218 2.265 ( 0.000 5.188 0.000) 5.188 2.293 ( 0.000 0.197 0.000) 0.197 2.314 ( 0.000 3.082 0.000) 3.082 2.340 ( 0.000 1.365 0.000) 1.365 2.366 ( 0.000 1.586 0.000) 1.586 2.454 ( 0.000 2.429 0.000) 2.429 2.466 ( 0.000 -3.792 0.000) 3.792 2.527 ( 0.000 -0.008 0.000) 0.008 2.568 ( 0.000 -1.834 0.000) 1.834 2.571 ( 0.000 -1.212 0.000) 1.212 2.674 ( 0.000 -2.786 0.000) 2.786 2.679 ( 0.000 -1.043 0.000) 1.043 2.715 ( 0.000 4.872 0.000) 4.872 2.852 ( 0.000 -4.806 0.000) 4.806 2.877 ( 0.000 1.058 0.000) 1.058 2.950 ( 0.000 -1.798 0.000) 1.798 3.007 ( 0.000 -10.816 0.000) 10.816 3.014 ( 0.000 -1.216 0.000) 1.216 3.031 ( 0.000 5.011 0.000) 5.011 3.079 ( 0.000 -3.915 0.000) 3.915 3.113 ( 0.000 2.537 0.000) 2.537 3.210 ( 0.000 -5.620 0.000) 5.620 3.268 ( 0.000 -0.133 0.000) 0.133 3.328 ( 0.000 -0.619 0.000) 0.619 3.398 ( 0.000 -9.363 0.000) 9.363 4.357 ( 0.000 0.466 0.000) 0.466 4.383 ( 0.000 -0.355 0.000) 0.355 4.468 ( 0.000 -0.431 0.000) 0.431 4.486 ( 0.000 -0.669 0.000) 0.669 4.789 ( 0.000 0.436 0.000) 0.436 4.829 ( 0.000 0.327 0.000) 0.327 4.849 ( 0.000 -0.931 0.000) 0.931 4.856 ( 0.000 -0.008 0.000) 0.008 5.702 ( 0.000 0.259 0.000) 0.259 5.735 ( 0.000 -0.611 0.000) 0.611 5.829 ( 0.000 0.561 0.000) 0.561 5.874 ( 0.000 -0.442 0.000) 0.442 5.992 ( 0.000 1.144 0.000) 1.144 6.028 ( 0.000 0.487 0.000) 0.487 6.035 ( 0.000 0.346 0.000) 0.346 6.048 ( 0.000 -0.328 0.000) 0.328 6.194 ( 0.000 0.051 0.000) 0.051 6.231 ( 0.000 -0.953 0.000) 0.953 6.244 ( 0.000 0.142 0.000) 0.142 6.265 ( 0.000 -0.408 0.000) 0.408 8.214 ( 0.000 1.783 0.000) 1.783 8.318 ( 0.000 -0.942 0.000) 0.942 8.323 ( 0.000 -1.092 0.000) 1.092 8.341 ( 0.000 -1.578 0.000) 1.578 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 6.616 14.240 0.000) 15.702 0.800 ( 2.601 15.540 0.000) 15.756 1.305 ( -3.087 -0.773 0.000) 3.182 1.320 ( 1.734 7.392 0.000) 7.592 1.436 ( 1.100 -3.068 0.000) 3.259 1.531 ( -2.948 5.804 0.000) 6.510 1.573 ( -1.503 -5.300 0.000) 5.509 1.629 ( 1.320 2.353 0.000) 2.698 1.637 ( 1.189 16.349 0.000) 16.392 1.702 ( -0.168 7.468 0.000) 7.470 1.712 ( 0.907 -1.282 0.000) 1.570 1.752 ( -0.691 -2.292 0.000) 2.394 1.826 ( -0.078 -3.683 0.000) 3.684 1.874 ( -1.593 5.904 0.000) 6.116 1.930 ( -2.474 4.609 0.000) 5.231 1.964 ( -1.117 -2.572 0.000) 2.804 2.039 ( -0.482 2.930 0.000) 2.969 2.048 ( -3.258 3.498 0.000) 4.780 2.111 ( 0.135 2.868 0.000) 2.871 2.135 ( -1.505 3.109 0.000) 3.454 2.180 ( 1.834 0.599 0.000) 1.930 2.201 ( -3.869 5.839 0.000) 7.005 2.241 ( 0.741 5.816 0.000) 5.863 2.268 ( 2.084 1.487 0.000) 2.560 2.304 ( -0.176 -2.415 0.000) 2.421 2.312 ( 0.039 3.256 0.000) 3.256 2.357 ( -0.131 0.627 0.000) 0.640 2.382 ( 3.589 0.904 0.000) 3.701 2.484 ( 1.647 -2.197 0.000) 2.746 2.496 ( -0.089 -0.128 0.000) 0.156 2.508 ( -1.431 0.242 0.000) 1.451 2.542 ( 1.578 0.354 0.000) 1.618 2.574 ( -0.185 -0.046 0.000) 0.191 2.676 ( 1.861 -3.900 0.000) 4.321 2.713 ( 1.670 -0.709 0.000) 1.814 2.769 ( 3.844 3.602 0.000) 5.268 2.830 ( -1.883 -3.523 0.000) 3.994 2.867 ( -1.228 0.723 0.000) 1.425 2.968 ( -1.616 -0.788 0.000) 1.798 2.977 ( -0.208 3.447 0.000) 3.454 3.003 ( 0.398 -5.972 0.000) 5.985 3.014 ( -0.406 -5.595 0.000) 5.610 3.110 ( 2.602 -3.960 0.000) 4.738 3.158 ( 2.723 1.302 0.000) 3.019 3.213 ( 0.462 -5.160 0.000) 5.180 3.259 ( -1.003 -0.026 0.000) 1.003 3.317 ( -1.131 -0.696 0.000) 1.328 3.325 ( -6.560 -6.925 0.000) 9.539 4.371 ( 1.377 0.663 0.000) 1.528 4.406 ( 1.812 -0.610 0.000) 1.912 4.464 ( -0.435 -0.212 0.000) 0.484 4.481 ( -0.556 -0.379 0.000) 0.673 4.792 ( 0.366 0.654 0.000) 0.749 4.830 ( 0.052 0.457 0.000) 0.460 4.858 ( 0.806 -0.908 0.000) 1.215 4.858 ( 0.291 -0.121 0.000) 0.315 5.714 ( 1.219 0.306 0.000) 1.257 5.741 ( 0.590 -0.410 0.000) 0.719 5.821 ( -0.833 0.614 0.000) 1.035 5.861 ( -1.249 -0.328 0.000) 1.291 5.997 ( 0.452 1.135 0.000) 1.221 6.024 ( -0.310 0.625 0.000) 0.698 6.039 ( 0.239 0.245 0.000) 0.342 6.048 ( -0.034 -0.238 0.000) 0.240 6.195 ( 0.178 0.284 0.000) 0.335 6.237 ( -0.590 0.344 0.000) 0.683 6.241 ( 0.941 -0.968 0.000) 1.350 6.270 ( 0.424 -0.540 0.000) 0.687 8.226 ( 1.207 1.488 0.000) 1.916 8.316 ( -0.111 -0.903 0.000) 0.910 8.320 ( -0.341 -0.996 0.000) 1.053 8.337 ( -0.446 -1.446 0.000) 1.513 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 8.010 10.258 0.000) 13.015 0.942 ( 10.949 8.955 0.000) 14.144 1.239 ( -4.925 0.052 0.000) 4.925 1.329 ( -1.391 2.171 0.000) 2.579 1.380 ( -5.278 0.757 0.000) 5.332 1.401 ( -9.270 4.509 0.000) 10.308 1.616 ( 5.907 -3.726 0.000) 6.984 1.674 ( 2.927 0.269 0.000) 2.939 1.697 ( 3.558 12.098 0.000) 12.610 1.717 ( 1.496 7.419 0.000) 7.569 1.728 ( -0.917 0.370 0.000) 0.989 1.739 ( 0.934 -0.876 0.000) 1.280 1.826 ( 0.139 -0.979 0.000) 0.989 1.835 ( -3.107 2.465 0.000) 3.966 1.896 ( -0.837 7.180 0.000) 7.229 1.926 ( -4.038 1.399 0.000) 4.274 1.987 ( -1.407 2.924 0.000) 3.244 2.018 ( -1.629 2.619 0.000) 3.084 2.100 ( -0.687 2.800 0.000) 2.883 2.105 ( -1.582 2.036 0.000) 2.578 2.147 ( -0.852 3.252 0.000) 3.362 2.234 ( 1.555 1.188 0.000) 1.957 2.256 ( 0.530 3.870 0.000) 3.906 2.276 ( -1.839 -2.842 0.000) 3.385 2.307 ( 1.848 3.863 0.000) 4.282 2.321 ( 0.855 5.133 0.000) 5.204 2.360 ( 0.539 -0.719 0.000) 0.899 2.444 ( 1.153 -0.554 0.000) 1.279 2.452 ( -0.559 1.083 0.000) 1.219 2.494 ( 0.059 0.237 0.000) 0.244 2.514 ( 1.051 -2.197 0.000) 2.436 2.554 ( -1.849 0.394 0.000) 1.890 2.622 ( 4.483 1.107 0.000) 4.618 2.715 ( -0.069 0.562 0.000) 0.566 2.737 ( 2.745 -2.378 0.000) 3.632 2.806 ( -0.261 -2.709 0.000) 2.721 2.810 ( -0.082 -2.172 0.000) 2.174 2.838 ( -1.202 1.980 0.000) 2.316 2.918 ( -1.437 -1.136 0.000) 1.832 2.980 ( -2.826 -4.124 0.000) 5.000 3.023 ( 3.039 0.202 0.000) 3.045 3.051 ( 4.203 -4.155 0.000) 5.910 3.146 ( 0.359 -4.861 0.000) 4.874 3.184 ( -0.152 -1.291 0.000) 1.300 3.200 ( -4.367 -1.737 0.000) 4.700 3.228 ( -2.364 0.474 0.000) 2.411 3.240 ( 1.279 -4.692 0.000) 4.863 3.293 ( -1.226 -1.168 0.000) 1.693 4.402 ( 1.764 0.936 0.000) 1.997 4.435 ( 1.238 -0.016 0.000) 1.239 4.452 ( -0.907 0.348 0.000) 0.971 4.468 ( -0.751 0.183 0.000) 0.773 4.802 ( 0.668 1.021 0.000) 1.220 4.827 ( -0.466 0.820 0.000) 0.943 4.867 ( 0.614 -0.347 0.000) 0.705 4.872 ( 0.590 -0.798 0.000) 0.992 5.745 ( 2.073 0.364 0.000) 2.105 5.756 ( 1.067 0.046 0.000) 1.068 5.801 ( -1.246 0.664 0.000) 1.411 5.830 ( -2.058 -0.070 0.000) 2.059 6.007 ( 0.558 1.068 0.000) 1.205 6.019 ( -0.184 0.797 0.000) 0.817 6.042 ( 0.083 0.177 0.000) 0.196 6.047 ( -0.166 -0.020 0.000) 0.167 6.202 ( 0.520 0.675 0.000) 0.852 6.225 ( -0.665 0.672 0.000) 0.945 6.260 ( 0.982 -0.930 0.000) 1.352 6.276 ( 0.153 -0.710 0.000) 0.727 8.254 ( 1.743 0.769 0.000) 1.905 8.308 ( -0.956 -0.642 0.000) 1.151 8.315 ( 0.034 -0.854 0.000) 0.854 8.328 ( -0.518 -1.178 0.000) 1.287 ======================= Grid point 17 (12/48) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -7.670 2.780 0.000) 8.158 1.067 ( 7.670 2.780 0.000) 8.158 1.183 ( -9.621 6.703 0.000) 11.726 1.183 ( 9.621 6.703 0.000) 11.726 1.333 ( -0.022 1.807 0.000) 1.807 1.333 ( 0.022 1.807 0.000) 1.807 1.710 ( -0.964 -1.500 0.000) 1.783 1.710 ( 0.964 -1.500 0.000) 1.783 1.718 ( -2.150 1.467 0.000) 2.603 1.718 ( 2.150 1.467 0.000) 2.603 1.763 ( -1.749 -2.057 0.000) 2.700 1.763 ( 1.749 -2.057 0.000) 2.700 1.781 ( -2.570 8.939 0.000) 9.301 1.781 ( 2.570 8.939 0.000) 9.301 1.885 ( -0.402 4.362 0.000) 4.380 1.885 ( 0.402 4.362 0.000) 4.380 1.993 ( -1.019 3.838 0.000) 3.971 1.993 ( 1.019 3.838 0.000) 3.971 2.090 ( -0.092 2.517 0.000) 2.518 2.090 ( 0.092 2.517 0.000) 2.518 2.182 ( -4.208 1.152 0.000) 4.362 2.182 ( 4.208 1.152 0.000) 4.362 2.264 ( -0.453 0.653 0.000) 0.795 2.264 ( 0.453 0.653 0.000) 0.795 2.329 ( -0.395 5.877 0.000) 5.891 2.329 ( 0.395 5.877 0.000) 5.891 2.403 ( -2.898 -0.060 0.000) 2.899 2.403 ( 2.898 -0.060 0.000) 2.899 2.493 ( -1.202 -0.407 0.000) 1.269 2.493 ( 1.202 -0.407 0.000) 1.269 2.520 ( -0.781 -0.685 0.000) 1.039 2.520 ( 0.781 -0.685 0.000) 1.039 2.687 ( -2.495 2.061 0.000) 3.236 2.687 ( 2.495 2.061 0.000) 3.236 2.786 ( -1.775 -4.066 0.000) 4.437 2.786 ( 1.775 -4.066 0.000) 4.437 2.820 ( -1.395 0.205 0.000) 1.410 2.820 ( 1.395 0.205 0.000) 1.410 2.924 ( -2.226 -4.727 0.000) 5.225 2.924 ( 2.226 -4.727 0.000) 5.225 3.087 ( -3.870 -1.314 0.000) 4.087 3.087 ( 3.870 -1.314 0.000) 4.087 3.140 ( -4.295 -1.795 0.000) 4.654 3.140 ( 4.295 -1.795 0.000) 4.655 3.191 ( -1.340 -1.217 0.000) 1.810 3.191 ( 1.340 -1.217 0.000) 1.810 3.271 ( -1.445 -2.384 0.000) 2.788 3.271 ( 1.445 -2.384 0.000) 2.788 4.431 ( -1.376 0.847 0.000) 1.616 4.431 ( 1.376 0.847 0.000) 1.616 4.453 ( -0.874 0.440 0.000) 0.979 4.453 ( 0.874 0.440 0.000) 0.979 4.815 ( -0.721 1.109 0.000) 1.323 4.815 ( 0.721 1.109 0.000) 1.323 4.876 ( -0.204 -0.597 0.000) 0.631 4.876 ( 0.204 -0.597 0.000) 0.631 5.777 ( -1.304 0.516 0.000) 1.402 5.777 ( 1.304 0.516 0.000) 1.402 5.788 ( -2.361 0.199 0.000) 2.369 5.788 ( 2.361 0.199 0.000) 2.369 6.015 ( -0.309 0.943 0.000) 0.992 6.015 ( 0.309 0.943 0.000) 0.992 6.044 ( -0.111 0.130 0.000) 0.171 6.044 ( 0.111 0.130 0.000) 0.171 6.213 ( -0.656 0.834 0.000) 1.061 6.213 ( 0.656 0.834 0.000) 1.061 6.274 ( -0.449 -0.833 0.000) 0.946 6.274 ( 0.449 -0.833 0.000) 0.946 8.285 ( -1.507 -0.023 0.000) 1.507 8.285 ( 1.507 -0.023 0.000) 1.507 8.319 ( -0.367 -0.939 0.000) 1.008 8.319 ( 0.367 -0.939 0.000) 1.008 ======================= Grid point 21 (13/48) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 15.298 0.000) 15.298 1.102 ( 0.000 13.092 0.000) 13.092 1.318 ( 0.000 -6.412 0.000) 6.412 1.325 ( 0.000 -8.110 0.000) 8.110 1.339 ( 0.000 2.034 0.000) 2.034 1.428 ( 0.000 -6.336 0.000) 6.336 1.614 ( 0.000 3.655 0.000) 3.655 1.620 ( 0.000 -0.971 0.000) 0.971 1.684 ( 0.000 -5.275 0.000) 5.275 1.710 ( 0.000 -4.694 0.000) 4.694 1.763 ( 0.000 5.009 0.000) 5.009 1.832 ( 0.000 1.225 0.000) 1.225 1.927 ( 0.000 1.386 0.000) 1.386 1.942 ( 0.000 5.313 0.000) 5.313 2.024 ( 0.000 4.043 0.000) 4.043 2.041 ( 0.000 3.423 0.000) 3.423 2.113 ( 0.000 0.321 0.000) 0.321 2.123 ( 0.000 0.648 0.000) 0.648 2.170 ( 0.000 0.443 0.000) 0.443 2.194 ( 0.000 9.043 0.000) 9.043 2.202 ( 0.000 -1.903 0.000) 1.903 2.242 ( 0.000 1.972 0.000) 1.972 2.262 ( 0.000 -1.355 0.000) 1.355 2.327 ( 0.000 -1.557 0.000) 1.557 2.355 ( 0.000 2.461 0.000) 2.461 2.356 ( 0.000 0.674 0.000) 0.674 2.367 ( 0.000 1.239 0.000) 1.239 2.380 ( 0.000 -0.749 0.000) 0.749 2.420 ( 0.000 6.756 0.000) 6.756 2.542 ( 0.000 0.631 0.000) 0.631 2.550 ( 0.000 1.404 0.000) 1.404 2.581 ( 0.000 4.266 0.000) 4.266 2.607 ( 0.000 2.446 0.000) 2.446 2.634 ( 0.000 -1.847 0.000) 1.847 2.636 ( 0.000 -1.344 0.000) 1.344 2.723 ( 0.000 -14.542 0.000) 14.542 2.828 ( 0.000 1.670 0.000) 1.670 2.830 ( 0.000 5.615 0.000) 5.615 2.890 ( 0.000 -3.489 0.000) 3.489 2.946 ( 0.000 -4.802 0.000) 4.802 2.955 ( 0.000 7.077 0.000) 7.077 3.027 ( 0.000 -0.025 0.000) 0.025 3.089 ( 0.000 -5.159 0.000) 5.159 3.131 ( 0.000 4.021 0.000) 4.021 3.164 ( 0.000 1.607 0.000) 1.607 3.169 ( 0.000 -11.593 0.000) 11.593 3.252 ( 0.000 -0.716 0.000) 0.716 3.285 ( 0.000 -2.890 0.000) 2.890 4.367 ( 0.000 0.427 0.000) 0.427 4.375 ( 0.000 -0.385 0.000) 0.385 4.465 ( 0.000 0.126 0.000) 0.126 4.473 ( 0.000 -0.559 0.000) 0.559 4.804 ( 0.000 0.954 0.000) 0.954 4.827 ( 0.000 -1.134 0.000) 1.134 4.839 ( 0.000 0.580 0.000) 0.580 4.851 ( 0.000 -0.445 0.000) 0.445 5.711 ( 0.000 0.525 0.000) 0.525 5.723 ( 0.000 -0.583 0.000) 0.583 5.844 ( 0.000 0.830 0.000) 0.830 5.861 ( 0.000 -0.714 0.000) 0.714 6.017 ( 0.000 1.097 0.000) 1.097 6.037 ( 0.000 0.291 0.000) 0.291 6.037 ( 0.000 -0.764 0.000) 0.764 6.040 ( 0.000 0.028 0.000) 0.028 6.198 ( 0.000 0.400 0.000) 0.400 6.211 ( 0.000 -0.817 0.000) 0.817 6.248 ( 0.000 0.292 0.000) 0.292 6.256 ( 0.000 -0.417 0.000) 0.417 8.254 ( 0.000 1.906 0.000) 1.906 8.291 ( 0.000 -1.529 0.000) 1.529 8.307 ( 0.000 -0.284 0.000) 0.284 8.313 ( 0.000 -0.911 0.000) 0.911 ======================= Grid point 22 (14/48) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 1.586 12.723 0.000) 12.821 1.108 ( 0.711 12.863 0.000) 12.883 1.261 ( -2.899 -4.543 0.000) 5.390 1.319 ( 0.011 -6.070 0.000) 6.070 1.414 ( 3.478 0.237 0.000) 3.487 1.452 ( 2.563 -4.541 0.000) 5.215 1.607 ( -1.248 3.189 0.000) 3.424 1.621 ( 0.258 -1.831 0.000) 1.849 1.668 ( -4.488 0.258 0.000) 4.496 1.679 ( -0.362 -5.119 0.000) 5.132 1.749 ( -1.045 -0.673 0.000) 1.243 1.803 ( -2.798 -1.664 0.000) 3.255 1.903 ( -0.247 5.725 0.000) 5.730 1.960 ( 0.565 0.842 0.000) 1.014 2.001 ( -2.491 4.948 0.000) 5.540 2.056 ( 1.243 3.620 0.000) 3.828 2.062 ( -2.210 1.621 0.000) 2.741 2.160 ( -0.562 -0.089 0.000) 0.569 2.168 ( -2.506 8.393 0.000) 8.759 2.178 ( 2.832 -0.561 0.000) 2.887 2.205 ( 0.291 -2.612 0.000) 2.629 2.210 ( -2.478 2.933 0.000) 3.839 2.277 ( -0.601 0.689 0.000) 0.914 2.327 ( -0.109 -2.682 0.000) 2.684 2.347 ( -0.442 1.299 0.000) 1.372 2.356 ( -1.486 -0.567 0.000) 1.591 2.382 ( -0.573 7.497 0.000) 7.519 2.397 ( 3.283 2.023 0.000) 3.856 2.404 ( 2.420 -0.677 0.000) 2.513 2.546 ( 0.782 3.129 0.000) 3.225 2.562 ( -2.361 -0.426 0.000) 2.399 2.582 ( 1.681 0.632 0.000) 1.796 2.621 ( -0.328 -1.165 0.000) 1.210 2.623 ( 3.410 5.566 0.000) 6.527 2.653 ( 0.962 -3.219 0.000) 3.359 2.753 ( -0.059 -8.319 0.000) 8.319 2.835 ( 0.937 2.746 0.000) 2.901 2.843 ( 2.407 -0.214 0.000) 2.416 2.909 ( 1.566 -3.580 0.000) 3.907 2.914 ( -2.590 -4.411 0.000) 5.116 2.956 ( 0.084 6.627 0.000) 6.628 3.060 ( 2.700 -0.276 0.000) 2.714 3.085 ( -3.562 5.040 0.000) 6.172 3.104 ( 1.748 -4.449 0.000) 4.780 3.148 ( -1.947 -9.352 0.000) 9.552 3.164 ( -1.177 -1.571 0.000) 1.963 3.251 ( -0.087 0.099 0.000) 0.131 3.281 ( -0.588 -2.130 0.000) 2.209 4.384 ( 1.718 0.576 0.000) 1.812 4.395 ( 1.867 -0.460 0.000) 1.923 4.465 ( -0.064 0.219 0.000) 0.228 4.472 ( -0.088 -0.427 0.000) 0.436 4.811 ( 0.709 1.083 0.000) 1.295 4.835 ( 0.837 -1.165 0.000) 1.435 4.841 ( 0.216 0.577 0.000) 0.616 4.853 ( 0.204 -0.424 0.000) 0.471 5.722 ( 1.217 0.480 0.000) 1.308 5.732 ( 0.990 -0.431 0.000) 1.080 5.836 ( -0.825 0.793 0.000) 1.144 5.852 ( -0.998 -0.602 0.000) 1.166 6.020 ( 0.363 1.035 0.000) 1.097 6.035 ( -0.095 0.438 0.000) 0.448 6.039 ( 0.181 -0.670 0.000) 0.694 6.041 ( 0.095 -0.100 0.000) 0.138 6.204 ( 0.602 0.593 0.000) 0.846 6.220 ( 0.867 -0.913 0.000) 1.259 6.246 ( -0.196 0.503 0.000) 0.539 6.258 ( 0.158 -0.590 0.000) 0.610 8.260 ( 0.568 1.634 0.000) 1.730 8.292 ( 0.093 -1.368 0.000) 1.371 8.305 ( -0.171 -0.266 0.000) 0.316 8.311 ( -0.216 -0.827 0.000) 0.854 ======================= Grid point 23 (15/48) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 3.938 7.343 0.000) 8.332 1.132 ( 1.862 10.802 0.000) 10.961 1.230 ( -0.333 -2.082 0.000) 2.109 1.312 ( -1.040 -4.877 0.000) 4.986 1.420 ( -1.513 3.647 0.000) 3.948 1.517 ( -7.347 5.758 0.000) 9.335 1.538 ( 5.223 -4.459 0.000) 6.867 1.614 ( -1.520 -3.307 0.000) 3.640 1.624 ( 0.304 -1.939 0.000) 1.963 1.687 ( 1.339 -4.634 0.000) 4.824 1.721 ( -1.685 -1.390 0.000) 2.184 1.753 ( -2.688 -3.209 0.000) 4.186 1.924 ( 2.056 4.553 0.000) 4.996 1.955 ( -1.812 5.348 0.000) 5.647 1.965 ( 0.044 0.200 0.000) 0.205 2.026 ( -1.915 -0.046 0.000) 1.915 2.069 ( -0.169 5.332 0.000) 5.334 2.114 ( -2.853 5.672 0.000) 6.349 2.158 ( 0.518 2.447 0.000) 2.501 2.165 ( -1.989 1.446 0.000) 2.459 2.198 ( -1.297 -3.602 0.000) 3.828 2.229 ( -3.252 4.985 0.000) 5.952 2.229 ( 2.409 -1.620 0.000) 2.903 2.303 ( -1.987 -0.774 0.000) 2.132 2.357 ( 1.890 0.386 0.000) 1.929 2.365 ( 2.808 0.394 0.000) 2.835 2.405 ( 1.969 2.127 0.000) 2.898 2.435 ( 0.678 0.927 0.000) 1.148 2.474 ( 3.772 2.872 0.000) 4.741 2.551 ( 0.785 1.221 0.000) 1.452 2.556 ( -0.110 4.440 0.000) 4.442 2.581 ( -1.272 2.262 0.000) 2.595 2.638 ( 1.955 -3.626 0.000) 4.119 2.666 ( 0.319 -4.218 0.000) 4.230 2.688 ( 3.061 3.415 0.000) 4.586 2.707 ( -3.487 -2.900 0.000) 4.536 2.851 ( -3.011 -5.050 0.000) 5.879 2.861 ( 1.484 4.197 0.000) 4.451 2.897 ( 1.236 -2.775 0.000) 3.038 2.917 ( -1.514 -0.342 0.000) 1.552 2.980 ( 2.945 2.221 0.000) 3.689 3.035 ( -0.803 1.960 0.000) 2.118 3.084 ( -1.088 -3.052 0.000) 3.240 3.120 ( -3.271 -4.603 0.000) 5.647 3.134 ( 1.932 -2.178 0.000) 2.912 3.158 ( 3.648 -3.012 0.000) 4.731 3.238 ( -1.704 0.669 0.000) 1.831 3.261 ( -1.521 -1.463 0.000) 2.111 4.420 ( 1.897 0.748 0.000) 2.039 4.432 ( 1.817 -0.319 0.000) 1.845 4.461 ( -0.374 0.456 0.000) 0.590 4.469 ( -0.327 -0.190 0.000) 0.378 4.826 ( 0.863 1.235 0.000) 1.507 4.844 ( -0.027 0.765 0.000) 0.765 4.852 ( 0.786 -1.113 0.000) 1.363 4.858 ( 0.316 -0.543 0.000) 0.628 5.753 ( 1.970 0.324 0.000) 1.996 5.757 ( 1.594 -0.055 0.000) 1.595 5.816 ( -1.369 0.662 0.000) 1.520 5.826 ( -1.683 -0.328 0.000) 1.715 6.028 ( 0.378 0.861 0.000) 0.940 6.034 ( -0.032 0.576 0.000) 0.577 6.042 ( 0.108 -0.437 0.000) 0.450 6.042 ( 0.042 -0.188 0.000) 0.193 6.218 ( 0.846 0.888 0.000) 1.226 6.239 ( 1.006 -1.018 0.000) 1.431 6.241 ( -0.340 0.829 0.000) 0.896 6.259 ( -0.057 -0.848 0.000) 0.850 8.273 ( 0.834 0.992 0.000) 1.296 8.295 ( 0.217 -1.021 0.000) 1.044 8.299 ( -0.466 -0.087 0.000) 0.474 8.306 ( -0.313 -0.723 0.000) 0.788 ======================= Grid point 24 (16/48) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -0.682 5.858 0.000) 5.897 1.163 ( 0.682 5.858 0.000) 5.897 1.268 ( -3.770 -1.870 0.000) 4.208 1.268 ( 3.770 -1.870 0.000) 4.208 1.414 ( -2.350 7.460 0.000) 7.821 1.414 ( 2.350 7.460 0.000) 7.821 1.591 ( -1.069 -7.892 0.000) 7.964 1.591 ( 1.069 -7.892 0.000) 7.964 1.673 ( -4.187 -0.577 0.000) 4.227 1.673 ( 4.187 -0.577 0.000) 4.227 1.712 ( -1.263 -2.904 0.000) 3.167 1.712 ( 1.263 -2.904 0.000) 3.167 1.943 ( -0.265 4.282 0.000) 4.291 1.943 ( 0.265 4.282 0.000) 4.291 1.985 ( -2.480 1.663 0.000) 2.986 1.985 ( 2.480 1.663 0.000) 2.986 2.073 ( -1.334 3.780 0.000) 4.009 2.073 ( 1.334 3.780 0.000) 4.009 2.159 ( -1.214 -2.852 0.000) 3.100 2.159 ( 1.214 -2.852 0.000) 3.100 2.184 ( -1.453 5.971 0.000) 6.145 2.184 ( 1.453 5.971 0.000) 6.145 2.267 ( -1.871 -1.488 0.000) 2.391 2.267 ( 1.871 -1.488 0.000) 2.391 2.405 ( -2.091 0.907 0.000) 2.279 2.405 ( 2.091 0.907 0.000) 2.279 2.424 ( -2.350 0.572 0.000) 2.419 2.424 ( 2.350 0.572 0.000) 2.419 2.532 ( -2.472 4.582 0.000) 5.206 2.532 ( 2.472 4.582 0.000) 5.206 2.561 ( -0.449 3.499 0.000) 3.528 2.561 ( 0.449 3.499 0.000) 3.528 2.667 ( -0.442 -4.719 0.000) 4.739 2.667 ( 0.442 -4.719 0.000) 4.739 2.690 ( -2.929 -4.054 0.000) 5.001 2.690 ( 2.929 -4.054 0.000) 5.001 2.846 ( -2.760 3.303 0.000) 4.304 2.846 ( 2.760 3.303 0.000) 4.304 2.899 ( -0.533 2.037 0.000) 2.105 2.899 ( 0.533 2.037 0.000) 2.105 3.043 ( -1.445 -3.511 0.000) 3.797 3.043 ( 1.445 -3.511 0.000) 3.797 3.059 ( -0.873 -3.808 0.000) 3.907 3.059 ( 0.873 -3.808 0.000) 3.907 3.189 ( -3.263 0.859 0.000) 3.375 3.189 ( 3.263 0.859 0.000) 3.375 3.221 ( -2.865 -2.059 0.000) 3.529 3.221 ( 2.865 -2.059 0.000) 3.529 4.448 ( -1.088 0.690 0.000) 1.288 4.448 ( 1.088 0.690 0.000) 1.288 4.457 ( -0.962 -0.126 0.000) 0.970 4.457 ( 0.962 -0.126 0.000) 0.970 4.839 ( -0.485 1.116 0.000) 1.217 4.839 ( 0.485 1.116 0.000) 1.217 4.860 ( -0.124 -0.866 0.000) 0.875 4.860 ( 0.124 -0.866 0.000) 0.875 5.787 ( -1.666 0.383 0.000) 1.709 5.787 ( 1.666 0.383 0.000) 1.709 5.791 ( -2.065 0.012 0.000) 2.065 5.791 ( 2.065 0.012 0.000) 2.065 6.033 ( -0.146 0.678 0.000) 0.694 6.033 ( 0.146 0.678 0.000) 0.694 6.043 ( -0.003 -0.244 0.000) 0.244 6.043 ( 0.003 -0.244 0.000) 0.244 6.232 ( -0.634 0.988 0.000) 1.174 6.232 ( 0.634 0.988 0.000) 1.174 6.254 ( -0.567 -1.001 0.000) 1.151 6.254 ( 0.567 -1.001 0.000) 1.151 8.288 ( -0.735 0.343 0.000) 0.811 8.288 ( 0.735 0.343 0.000) 0.811 8.300 ( -0.325 -0.766 0.000) 0.832 8.300 ( 0.325 -0.766 0.000) 0.832 ======================= Grid point 49 (17/48) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 0.000 0.000 16.889) 16.889 0.435 ( 0.000 0.000 19.552) 19.552 0.736 ( 0.000 0.000 32.781) 32.781 1.054 ( 0.000 0.000 -13.453) 13.453 1.187 ( 0.000 0.000 -13.309) 13.309 1.575 ( 0.000 0.000 6.366) 6.366 1.576 ( 0.000 0.000 2.061) 2.061 1.577 ( 0.000 0.000 4.673) 4.673 1.616 ( 0.000 0.000 2.816) 2.816 1.643 ( 0.000 0.000 0.288) 0.288 1.710 ( 0.000 0.000 -2.461) 2.461 1.732 ( 0.000 0.000 -1.289) 1.289 1.793 ( 0.000 0.000 -3.242) 3.242 1.815 ( 0.000 0.000 0.406) 0.406 1.830 ( 0.000 0.000 0.105) 0.105 1.893 ( 0.000 0.000 0.775) 0.775 1.936 ( 0.000 0.000 -0.250) 0.250 1.979 ( 0.000 0.000 -18.121) 18.121 2.004 ( 0.000 0.000 1.897) 1.897 2.072 ( 0.000 0.000 -1.287) 1.287 2.090 ( 0.000 0.000 -1.159) 1.159 2.105 ( 0.000 0.000 -4.238) 4.238 2.123 ( 0.000 0.000 2.091) 2.091 2.133 ( 0.000 0.000 0.859) 0.859 2.163 ( 0.000 0.000 -0.609) 0.609 2.236 ( 0.000 0.000 -3.854) 3.854 2.443 ( 0.000 0.000 0.718) 0.718 2.448 ( 0.000 0.000 0.031) 0.031 2.472 ( 0.000 0.000 -1.017) 1.017 2.477 ( 0.000 0.000 -0.477) 0.477 2.535 ( 0.000 0.000 -1.026) 1.026 2.557 ( 0.000 0.000 1.024) 1.024 2.567 ( 0.000 0.000 -0.018) 0.018 2.701 ( 0.000 0.000 -5.245) 5.245 2.796 ( 0.000 0.000 6.430) 6.430 2.832 ( 0.000 0.000 -2.483) 2.483 2.870 ( 0.000 0.000 2.524) 2.524 2.956 ( 0.000 0.000 3.509) 3.509 2.997 ( 0.000 0.000 2.795) 2.795 2.997 ( 0.000 0.000 5.285) 5.285 3.035 ( 0.000 0.000 -0.502) 0.502 3.132 ( 0.000 0.000 1.071) 1.071 3.155 ( 0.000 0.000 -1.515) 1.515 3.188 ( 0.000 0.000 0.225) 0.225 3.211 ( 0.000 0.000 -1.833) 1.833 3.301 ( 0.000 0.000 7.762) 7.762 3.302 ( 0.000 0.000 -3.948) 3.948 3.604 ( 0.000 0.000 -3.990) 3.990 4.359 ( 0.000 0.000 1.259) 1.259 4.396 ( 0.000 0.000 0.207) 0.207 4.480 ( 0.000 0.000 -0.611) 0.611 4.489 ( 0.000 0.000 -1.199) 1.199 4.790 ( 0.000 0.000 0.453) 0.453 4.818 ( 0.000 0.000 -0.563) 0.563 4.853 ( 0.000 0.000 0.334) 0.334 4.868 ( 0.000 0.000 -0.190) 0.190 5.741 ( 0.000 0.000 -0.255) 0.255 5.745 ( 0.000 0.000 -0.543) 0.543 5.837 ( 0.000 0.000 1.232) 1.232 5.879 ( 0.000 0.000 -0.426) 0.426 5.969 ( 0.000 0.000 0.614) 0.614 6.005 ( 0.000 0.000 -0.686) 0.686 6.027 ( 0.000 0.000 0.396) 0.396 6.048 ( 0.000 0.000 -0.337) 0.337 6.209 ( 0.000 0.000 0.813) 0.813 6.245 ( 0.000 0.000 0.327) 0.327 6.250 ( 0.000 0.000 -0.548) 0.548 6.267 ( 0.000 0.000 -0.587) 0.587 8.194 ( 0.000 0.000 1.981) 1.981 8.308 ( 0.000 0.000 -2.280) 2.280 8.367 ( 0.000 0.000 0.470) 0.470 8.387 ( 0.000 0.000 -0.113) 0.113 ======================= Grid point 50 (18/48) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 9.284 0.000 14.168) 16.939 0.512 ( 12.863 0.000 11.772) 17.437 0.922 ( 15.914 0.000 24.605) 29.303 1.089 ( 3.458 0.000 -12.192) 12.673 1.167 ( -0.812 0.000 -11.307) 11.336 1.481 ( -6.394 0.000 3.386) 7.235 1.517 ( -5.287 0.000 4.693) 7.070 1.543 ( -7.290 0.000 2.467) 7.696 1.581 ( -3.499 0.000 0.466) 3.530 1.641 ( -0.379 0.000 0.536) 0.657 1.673 ( -2.950 0.000 -0.506) 2.993 1.752 ( 0.611 0.000 0.725) 0.948 1.816 ( 1.977 0.000 -3.340) 3.881 1.818 ( -0.575 0.000 0.420) 0.712 1.825 ( 0.199 0.000 -0.147) 0.248 1.900 ( 1.316 0.000 1.428) 1.942 1.933 ( 0.144 0.000 0.479) 0.500 1.971 ( -1.230 0.000 -11.718) 11.782 2.029 ( 2.475 0.000 1.327) 2.808 2.047 ( -3.578 0.000 -2.707) 4.487 2.064 ( -1.732 0.000 -3.509) 3.913 2.110 ( 1.774 0.000 1.892) 2.593 2.126 ( 2.598 0.000 -1.708) 3.109 2.186 ( 3.688 0.000 -2.850) 4.661 2.197 ( 1.116 0.000 -0.908) 1.439 2.282 ( 3.406 0.000 -5.300) 6.300 2.428 ( -0.890 0.000 -1.412) 1.669 2.475 ( 3.225 0.000 0.245) 3.234 2.480 ( -0.785 0.000 -1.892) 2.049 2.489 ( 1.241 0.000 -0.240) 1.264 2.530 ( 1.722 0.000 0.939) 1.961 2.561 ( 0.408 0.000 1.238) 1.304 2.582 ( 0.701 0.000 0.138) 0.714 2.701 ( -0.185 0.000 -4.657) 4.661 2.740 ( -6.398 0.000 7.061) 9.529 2.832 ( 1.125 0.000 2.095) 2.378 2.906 ( 2.560 0.000 -1.623) 3.031 2.917 ( -3.196 0.000 2.268) 3.919 2.997 ( 0.151 0.000 4.697) 4.699 3.023 ( 0.551 0.000 0.969) 1.115 3.061 ( 2.775 0.000 0.546) 2.828 3.118 ( -1.198 0.000 0.187) 1.212 3.170 ( 1.230 0.000 -0.687) 1.408 3.198 ( 0.455 0.000 0.321) 0.557 3.211 ( 0.052 0.000 -1.551) 1.552 3.246 ( -1.458 0.000 1.144) 1.853 3.343 ( 0.375 0.000 1.700) 1.741 3.524 ( -6.203 0.000 -1.308) 6.339 4.366 ( 0.751 0.000 1.107) 1.338 4.411 ( 0.612 0.000 -1.294) 1.432 4.472 ( -0.798 0.000 -0.431) 0.907 4.483 ( -0.832 0.000 -0.917) 1.238 4.787 ( -0.235 0.000 0.515) 0.566 4.815 ( -0.374 0.000 -0.434) 0.573 4.858 ( 0.565 0.000 0.246) 0.616 4.875 ( 0.624 0.000 -0.285) 0.686 5.730 ( -0.233 0.000 0.691) 0.729 5.746 ( 0.118 0.000 -0.517) 0.530 5.825 ( -1.275 0.000 1.116) 1.695 5.863 ( -1.527 0.000 -0.471) 1.598 5.973 ( 0.394 0.000 0.559) 0.684 6.002 ( -0.267 0.000 -0.372) 0.457 6.029 ( 0.138 0.000 0.120) 0.183 6.045 ( -0.287 0.000 -0.325) 0.434 6.202 ( -0.572 0.000 0.903) 1.069 6.230 ( -1.069 0.000 0.022) 1.070 6.262 ( 0.903 0.000 -0.254) 0.938 6.275 ( 0.632 0.000 -0.688) 0.934 8.210 ( 1.669 0.000 1.710) 2.389 8.310 ( 0.186 0.000 -2.047) 2.056 8.359 ( -0.775 0.000 0.560) 0.956 8.379 ( -0.837 0.000 -0.111) 0.844 ======================= Grid point 51 (19/48) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 16.210 0.000 4.998) 16.963 0.778 ( 14.886 0.000 6.514) 16.249 1.133 ( 3.474 0.000 -6.252) 7.152 1.152 ( 1.234 0.000 -7.886) 7.982 1.278 ( 13.225 0.000 12.573) 18.247 1.357 ( -5.356 0.000 2.413) 5.874 1.358 ( -10.927 0.000 2.368) 11.180 1.415 ( -4.787 0.000 2.860) 5.576 1.488 ( -5.920 0.000 -1.948) 6.232 1.612 ( -2.161 0.000 0.348) 2.189 1.624 ( -1.954 0.000 -0.048) 1.955 1.723 ( -4.166 0.000 3.737) 5.596 1.818 ( 0.509 0.000 1.109) 1.220 1.830 ( 0.089 0.000 0.303) 0.316 1.854 ( 2.051 0.000 -3.648) 4.185 1.929 ( 1.452 0.000 1.121) 1.834 1.933 ( -2.463 0.000 -6.332) 6.795 1.943 ( 0.631 0.000 0.970) 1.157 2.004 ( -0.633 0.000 -2.497) 2.576 2.056 ( 0.259 0.000 -2.695) 2.708 2.083 ( 3.096 0.000 0.499) 3.136 2.113 ( -1.454 0.000 2.315) 2.734 2.154 ( 0.192 0.000 -1.696) 1.706 2.195 ( -2.409 0.000 -2.041) 3.158 2.244 ( 2.840 0.000 -1.384) 3.159 2.346 ( 2.330 0.000 -4.903) 5.429 2.413 ( -1.235 0.000 1.292) 1.787 2.454 ( -1.089 0.000 -0.609) 1.247 2.519 ( 1.772 0.000 0.166) 1.780 2.537 ( 2.264 0.000 -0.673) 2.362 2.570 ( 3.505 0.000 -1.655) 3.876 2.578 ( 2.131 0.000 1.401) 2.551 2.605 ( 1.638 0.000 -0.453) 1.699 2.657 ( -1.998 0.000 2.821) 3.457 2.686 ( -1.646 0.000 -2.988) 3.411 2.822 ( -6.068 0.000 -0.470) 6.086 2.861 ( 1.983 0.000 3.944) 4.414 2.942 ( 0.027 0.000 -0.648) 0.649 3.009 ( 1.317 0.000 3.079) 3.349 3.037 ( 1.313 0.000 0.969) 1.632 3.087 ( 0.134 0.000 -0.449) 0.468 3.088 ( -2.084 0.000 0.167) 2.091 3.193 ( 1.140 0.000 -0.529) 1.257 3.210 ( 1.433 0.000 1.090) 1.800 3.212 ( 0.033 0.000 -1.051) 1.052 3.256 ( 2.021 0.000 -0.161) 2.027 3.318 ( -2.639 0.000 2.292) 3.495 3.412 ( -5.760 0.000 -1.464) 5.943 4.386 ( 1.339 0.000 0.760) 1.540 4.417 ( 0.234 0.000 -0.828) 0.860 4.450 ( -1.514 0.000 0.050) 1.515 4.460 ( -1.456 0.000 -0.354) 1.499 4.785 ( 0.092 0.000 0.547) 0.555 4.804 ( -0.732 0.000 -0.014) 0.732 4.872 ( 0.869 0.000 -0.070) 0.872 4.885 ( 0.359 0.000 -0.402) 0.539 5.741 ( 1.285 0.000 0.225) 1.305 5.752 ( 0.626 0.000 -0.343) 0.714 5.796 ( -1.633 0.000 0.763) 1.802 5.827 ( -2.348 0.000 -0.446) 2.390 5.982 ( 0.550 0.000 0.419) 0.692 5.997 ( -0.262 0.000 0.013) 0.263 6.031 ( 0.067 0.000 -0.164) 0.177 6.038 ( -0.378 0.000 -0.298) 0.481 6.195 ( -0.154 0.000 0.700) 0.717 6.211 ( -0.947 0.000 0.115) 0.954 6.278 ( 0.750 0.000 -0.314) 0.813 6.285 ( 0.382 0.000 -0.603) 0.714 8.250 ( 2.483 0.000 1.095) 2.713 8.314 ( 0.113 0.000 -1.280) 1.285 8.340 ( -1.110 0.000 0.443) 1.195 8.360 ( -1.173 0.000 -0.208) 1.192 ======================= Grid point 52 (20/48) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -12.118 0.000 2.114) 12.301 1.034 ( 12.118 0.000 2.114) 12.301 1.047 ( -14.409 0.000 0.263) 14.411 1.047 ( 14.409 0.000 0.263) 14.411 1.272 ( -4.888 0.000 -1.908) 5.247 1.272 ( 4.888 0.000 -1.908) 5.247 1.376 ( -5.513 0.000 -2.924) 6.240 1.376 ( 5.513 0.000 -2.924) 6.240 1.579 ( -11.815 0.000 9.459) 15.134 1.579 ( 11.815 0.000 9.459) 15.134 1.598 ( -0.614 0.000 0.069) 0.618 1.598 ( 0.614 0.000 0.069) 0.618 1.827 ( -0.390 0.000 0.792) 0.882 1.827 ( 0.390 0.000 0.792) 0.882 1.891 ( -2.034 0.000 -4.785) 5.200 1.891 ( 2.034 0.000 -4.785) 5.200 1.946 ( -0.357 0.000 1.048) 1.107 1.946 ( 0.357 0.000 1.048) 1.107 2.029 ( -2.805 0.000 -0.968) 2.968 2.029 ( 2.805 0.000 -0.968) 2.968 2.125 ( -3.228 0.000 -0.550) 3.274 2.125 ( 3.228 0.000 -0.550) 3.274 2.134 ( -2.170 0.000 -0.720) 2.286 2.134 ( 2.170 0.000 -0.720) 2.286 2.307 ( -3.874 0.000 0.538) 3.911 2.307 ( 3.874 0.000 0.538) 3.911 2.433 ( -1.825 0.000 0.334) 1.855 2.433 ( 1.825 0.000 0.334) 1.855 2.544 ( -0.791 0.000 0.267) 0.835 2.544 ( 0.791 0.000 0.267) 0.835 2.626 ( -0.586 0.000 -1.256) 1.386 2.626 ( 0.586 0.000 -1.256) 1.386 2.638 ( -3.349 0.000 -0.924) 3.474 2.638 ( 3.349 0.000 -0.924) 3.474 2.693 ( -7.199 0.000 -3.370) 7.949 2.693 ( 7.199 0.000 -3.370) 7.949 2.909 ( -2.768 0.000 2.851) 3.974 2.909 ( 2.768 0.000 2.851) 3.974 3.045 ( -2.373 0.000 1.238) 2.677 3.045 ( 2.373 0.000 1.238) 2.677 3.072 ( -1.787 0.000 -0.311) 1.814 3.072 ( 1.787 0.000 -0.311) 1.814 3.208 ( -0.527 0.000 -0.717) 0.890 3.208 ( 0.527 0.000 -0.717) 0.890 3.254 ( -3.132 0.000 1.563) 3.500 3.254 ( 3.132 0.000 1.563) 3.500 3.319 ( -4.091 0.000 -0.738) 4.157 3.319 ( 4.091 0.000 -0.738) 4.157 4.412 ( -1.299 0.000 0.248) 1.322 4.412 ( 1.299 0.000 0.248) 1.322 4.437 ( -0.752 0.000 -0.096) 0.758 4.437 ( 0.752 0.000 -0.096) 0.758 4.791 ( -0.567 0.000 0.376) 0.681 4.791 ( 0.567 0.000 0.376) 0.681 4.885 ( -0.395 0.000 -0.340) 0.521 4.885 ( 0.395 0.000 -0.340) 0.521 5.764 ( -0.803 0.000 -0.090) 0.808 5.764 ( 0.803 0.000 -0.090) 0.808 5.784 ( -1.752 0.000 0.024) 1.753 5.784 ( 1.752 0.000 0.024) 1.753 5.991 ( -0.393 0.000 0.247) 0.464 5.991 ( 0.393 0.000 0.247) 0.464 6.033 ( -0.194 0.000 -0.265) 0.329 6.033 ( 0.194 0.000 -0.265) 0.329 6.198 ( -0.475 0.000 0.386) 0.612 6.198 ( 0.475 0.000 0.386) 0.612 6.287 ( -0.195 0.000 -0.445) 0.486 6.287 ( 0.195 0.000 -0.445) 0.486 8.294 ( -2.121 0.000 0.410) 2.160 8.294 ( 2.121 0.000 0.410) 2.160 8.339 ( -0.890 0.000 -0.398) 0.975 8.339 ( 0.890 0.000 -0.398) 0.975 ======================= Grid point 56 (21/48) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 11.611 13.261) 17.626 0.642 ( 0.000 13.098 15.199) 20.064 0.954 ( 0.000 21.227 19.316) 28.700 1.187 ( 0.000 10.197 -11.368) 15.272 1.207 ( 0.000 2.231 -11.333) 11.551 1.530 ( 0.000 -2.168 4.842) 5.305 1.571 ( 0.000 -0.857 2.686) 2.819 1.618 ( 0.000 1.970 1.315) 2.368 1.664 ( 0.000 1.247 1.480) 1.935 1.679 ( 0.000 5.524 3.174) 6.371 1.698 ( 0.000 1.097 0.302) 1.138 1.745 ( 0.000 0.034 0.902) 0.903 1.829 ( 0.000 0.247 -5.367) 5.372 1.866 ( 0.000 -1.703 0.997) 1.973 1.872 ( 0.000 2.417 -2.060) 3.175 1.874 ( 0.000 4.619 0.358) 4.632 1.962 ( 0.000 2.321 -1.561) 2.797 2.018 ( 0.000 5.647 -10.640) 12.045 2.045 ( 0.000 3.788 -0.583) 3.832 2.080 ( 0.000 -0.316 0.667) 0.738 2.092 ( 0.000 1.434 -1.452) 2.041 2.140 ( 0.000 3.256 -5.007) 5.973 2.158 ( 0.000 2.378 0.725) 2.485 2.173 ( 0.000 4.485 1.892) 4.868 2.207 ( 0.000 3.849 -0.844) 3.940 2.248 ( 0.000 1.112 -2.689) 2.910 2.351 ( 0.000 -4.977 -1.032) 5.083 2.372 ( 0.000 -4.792 0.685) 4.841 2.463 ( 0.000 -0.598 -1.477) 1.593 2.507 ( 0.000 0.744 -1.446) 1.626 2.516 ( 0.000 -1.619 -0.914) 1.859 2.563 ( 0.000 -0.628 2.058) 2.152 2.582 ( 0.000 -0.063 -1.741) 1.742 2.630 ( 0.000 -4.599 -1.773) 4.929 2.815 ( 0.000 1.302 6.512) 6.641 2.827 ( 0.000 -5.296 1.805) 5.595 2.871 ( 0.000 -0.651 -0.420) 0.775 2.924 ( 0.000 1.338 -0.500) 1.429 2.962 ( 0.000 0.972 2.511) 2.692 3.033 ( 0.000 -6.052 2.520) 6.555 3.037 ( 0.000 0.275 0.550) 0.615 3.076 ( 0.000 1.707 1.628) 2.359 3.160 ( 0.000 -4.583 -1.336) 4.774 3.177 ( 0.000 2.080 -1.009) 2.312 3.262 ( 0.000 -1.009 5.858) 5.945 3.281 ( 0.000 1.345 0.029) 1.345 3.284 ( 0.000 -1.273 -4.573) 4.747 3.527 ( 0.000 -6.058 -2.644) 6.610 4.362 ( 0.000 0.258 1.190) 1.218 4.394 ( 0.000 -0.168 0.285) 0.331 4.473 ( 0.000 -0.528 -0.560) 0.770 4.484 ( 0.000 -0.417 -1.180) 1.252 4.789 ( 0.000 0.011 0.446) 0.446 4.818 ( 0.000 0.023 -0.603) 0.604 4.855 ( 0.000 0.129 0.232) 0.266 4.865 ( 0.000 -0.355 -0.069) 0.361 5.723 ( 0.000 -0.935 0.809) 1.237 5.741 ( 0.000 -0.334 -0.474) 0.580 5.834 ( 0.000 -0.195 0.970) 0.990 5.872 ( 0.000 -0.452 -0.596) 0.748 5.977 ( 0.000 0.725 0.551) 0.911 6.010 ( 0.000 0.461 -0.646) 0.793 6.035 ( 0.000 0.448 0.447) 0.633 6.050 ( 0.000 0.132 -0.183) 0.225 6.207 ( 0.000 -0.162 0.944) 0.958 6.244 ( 0.000 -0.080 0.196) 0.212 6.245 ( 0.000 -0.432 -0.335) 0.547 6.264 ( 0.000 -0.329 -0.688) 0.763 8.203 ( 0.000 0.848 1.762) 1.955 8.305 ( 0.000 -0.228 -2.089) 2.102 8.355 ( 0.000 -1.043 0.575) 1.191 8.374 ( 0.000 -1.119 -0.066) 1.121 ======================= Grid point 57 (22/48) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 4.053 10.665 11.703) 16.345 0.734 ( 9.235 11.146 13.185) 19.579 1.076 ( 8.737 13.032 9.615) 18.401 1.202 ( 1.638 5.103 -5.886) 7.961 1.225 ( 4.006 10.616 -8.909) 14.426 1.481 ( -4.149 -0.670 3.795) 5.663 1.522 ( -7.118 0.060 -0.006) 7.118 1.581 ( -6.693 2.852 2.545) 7.707 1.600 ( -0.523 3.901 3.244) 5.100 1.663 ( -0.000 1.236 0.576) 1.364 1.726 ( -0.497 1.550 0.415) 1.679 1.758 ( -0.222 1.550 0.643) 1.693 1.813 ( -0.150 0.942 -2.022) 2.236 1.846 ( -1.699 -0.031 -0.690) 1.834 1.865 ( -0.034 1.353 0.138) 1.361 1.900 ( 1.146 1.645 -0.573) 2.085 1.958 ( -0.527 2.978 -1.074) 3.209 1.999 ( -2.679 2.918 -5.837) 7.054 2.046 ( 0.667 3.454 -4.397) 5.631 2.073 ( -0.904 1.535 0.054) 1.782 2.079 ( -1.973 1.163 -2.337) 3.272 2.119 ( 1.252 1.092 -1.130) 2.009 2.168 ( 1.803 4.194 2.450) 5.181 2.218 ( 2.826 2.239 -1.323) 3.840 2.223 ( 0.595 2.542 -1.088) 2.829 2.284 ( 2.874 0.686 -3.875) 4.873 2.386 ( 2.699 -4.558 0.404) 5.313 2.413 ( 3.247 -3.573 0.738) 4.884 2.439 ( -0.722 -0.520 -1.403) 1.661 2.493 ( -1.443 -0.565 -1.456) 2.127 2.533 ( 1.700 -0.351 -2.139) 2.755 2.575 ( 1.319 -0.351 1.909) 2.347 2.592 ( 0.275 0.756 -0.302) 0.859 2.621 ( 0.420 -5.287 -3.238) 6.214 2.771 ( -4.657 1.506 3.317) 5.912 2.850 ( 1.312 0.656 4.828) 5.046 2.878 ( 0.104 -2.907 -0.197) 2.915 2.943 ( 1.327 -0.552 1.678) 2.210 2.947 ( -0.830 -0.064 1.727) 1.917 3.005 ( -0.646 -4.525 1.229) 4.733 3.028 ( -0.581 0.379 -0.006) 0.694 3.118 ( 1.479 -1.051 -0.722) 1.953 3.159 ( 0.190 -3.467 -0.997) 3.613 3.195 ( 1.999 1.351 1.413) 2.796 3.221 ( -3.507 0.585 -2.866) 4.566 3.270 ( 0.657 -0.156 2.584) 2.670 3.317 ( 0.691 -1.036 0.004) 1.245 3.459 ( -5.737 -5.122 -0.556) 7.711 4.370 ( 0.904 0.413 1.045) 1.442 4.409 ( 0.921 -0.174 -0.711) 1.177 4.467 ( -0.621 -0.385 -0.363) 0.816 4.479 ( -0.637 -0.325 -0.846) 1.108 4.788 ( -0.038 0.184 0.487) 0.522 4.817 ( -0.152 0.187 -0.509) 0.563 4.859 ( 0.435 0.040 0.149) 0.462 4.871 ( 0.592 -0.362 -0.180) 0.717 5.724 ( 0.402 -0.329 0.721) 0.889 5.743 ( 0.275 -0.213 -0.444) 0.564 5.823 ( -1.137 -0.091 0.884) 1.443 5.859 ( -1.324 -0.323 -0.590) 1.485 5.981 ( 0.404 0.735 0.502) 0.977 6.008 ( -0.209 0.521 -0.364) 0.670 6.035 ( 0.004 0.403 0.204) 0.452 6.047 ( -0.254 0.168 -0.220) 0.376 6.202 ( -0.353 0.037 0.890) 0.959 6.232 ( -0.902 0.104 -0.047) 0.909 6.257 ( 0.877 -0.493 -0.129) 1.014 6.271 ( 0.622 -0.341 -0.678) 0.981 8.217 ( 1.484 0.690 1.522) 2.235 8.307 ( 0.140 -0.269 -1.853) 1.877 8.349 ( -0.619 -0.901 0.538) 1.219 8.367 ( -0.741 -1.039 -0.063) 1.277 ======================= Grid point 58 (23/48) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 12.643 5.154 5.624) 14.766 0.948 ( 13.071 7.921 9.776) 18.142 1.140 ( 0.763 1.578 -6.906) 7.125 1.247 ( -2.549 5.830 -2.291) 6.763 1.324 ( -2.235 2.479 -1.684) 3.739 1.413 ( 0.679 6.902 -0.295) 6.942 1.418 ( -10.483 4.523 4.314) 12.205 1.438 ( 5.585 5.740 5.830) 9.906 1.591 ( -0.965 7.272 0.840) 7.383 1.658 ( -0.771 3.049 -0.476) 3.181 1.677 ( -3.014 4.824 0.244) 5.693 1.739 ( -2.164 0.255 2.443) 3.273 1.818 ( 0.545 -1.436 -2.104) 2.605 1.835 ( 0.215 -0.016 0.352) 0.413 1.860 ( -0.256 0.086 -0.116) 0.294 1.901 ( -1.045 0.463 -1.207) 1.662 1.945 ( -0.569 1.562 -0.530) 1.745 1.966 ( -0.921 1.722 -2.060) 2.839 2.021 ( -0.771 0.894 -1.954) 2.283 2.052 ( -1.086 0.405 -1.772) 2.117 2.088 ( 0.410 2.306 -0.373) 2.372 2.139 ( 0.667 1.906 -1.213) 2.355 2.201 ( 0.766 4.110 -0.147) 4.183 2.223 ( -1.191 2.231 -1.228) 2.811 2.261 ( 2.515 1.431 0.409) 2.922 2.340 ( 3.022 -0.136 -2.894) 4.186 2.389 ( -1.760 -3.422 2.387) 4.528 2.420 ( -0.448 0.019 0.026) 0.449 2.486 ( 1.757 -3.430 -0.202) 3.859 2.514 ( 3.492 -3.365 -1.088) 4.970 2.544 ( -0.706 -0.606 -0.580) 1.097 2.588 ( 1.060 -0.750 0.373) 1.352 2.615 ( 2.027 0.862 -0.229) 2.214 2.662 ( 3.460 -0.619 -2.894) 4.552 2.693 ( -2.738 4.066 1.305) 5.073 2.844 ( -2.653 0.298 -0.253) 2.681 2.868 ( 0.074 -0.208 2.604) 2.613 2.932 ( -1.618 -1.493 1.780) 2.831 2.966 ( 1.878 -3.677 1.830) 4.516 3.006 ( 0.034 -3.524 -0.875) 3.631 3.026 ( 0.442 -0.567 -0.095) 0.725 3.129 ( 0.443 -0.932 -0.389) 1.103 3.152 ( -3.639 -1.328 -3.658) 5.327 3.168 ( 0.229 -3.105 -1.033) 3.280 3.237 ( 2.029 1.319 2.331) 3.360 3.281 ( 0.263 -0.827 1.630) 1.846 3.312 ( -0.803 0.193 1.056) 1.341 3.361 ( -4.177 -3.577 -0.009) 5.500 4.393 ( 1.423 0.635 0.734) 1.723 4.421 ( 0.566 0.407 -0.657) 0.958 4.450 ( -1.181 0.035 0.080) 1.185 4.461 ( -1.164 0.130 -0.342) 1.220 4.790 ( 0.269 0.502 0.489) 0.750 4.810 ( -0.570 0.526 -0.125) 0.785 4.871 ( 0.729 -0.182 -0.087) 0.757 4.881 ( 0.363 -0.367 -0.345) 0.621 5.742 ( 1.465 0.116 0.198) 1.483 5.752 ( 0.780 0.052 -0.290) 0.834 5.797 ( -1.519 0.130 0.605) 1.640 5.825 ( -2.197 -0.076 -0.480) 2.250 5.990 ( 0.548 0.742 0.377) 0.996 6.004 ( -0.204 0.626 0.010) 0.658 6.035 ( 0.017 0.325 -0.109) 0.343 6.041 ( -0.348 0.239 -0.237) 0.484 6.198 ( -0.004 0.341 0.666) 0.748 6.215 ( -0.823 0.352 0.085) 0.899 6.273 ( 0.784 -0.474 -0.238) 0.946 6.281 ( 0.369 -0.375 -0.567) 0.774 8.253 ( 2.202 0.288 0.978) 2.426 8.310 ( 0.050 -0.357 -1.127) 1.183 8.333 ( -0.925 -0.629 0.383) 1.183 8.350 ( -1.027 -0.833 -0.162) 1.332 ======================= Grid point 59 (24/48) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -13.393 1.604 1.074) 13.532 1.010 ( 13.393 1.604 1.074) 13.532 1.193 ( -11.959 4.174 7.108) 14.525 1.193 ( 11.959 4.174 7.108) 14.525 1.244 ( -3.557 3.244 -4.789) 6.791 1.244 ( 3.557 3.244 -4.789) 6.791 1.480 ( -4.647 7.885 -3.073) 9.655 1.480 ( 4.647 7.885 -3.073) 9.655 1.645 ( -2.762 5.312 3.115) 6.749 1.645 ( 2.762 5.312 3.115) 6.749 1.660 ( -4.698 4.887 2.682) 7.290 1.660 ( 4.698 4.887 2.682) 7.290 1.833 ( -0.612 -1.747 -1.680) 2.500 1.833 ( 0.612 -1.747 -1.680) 2.500 1.871 ( -1.535 0.185 -0.028) 1.546 1.871 ( 1.535 0.185 -0.028) 1.546 1.950 ( -0.923 0.269 -0.851) 1.284 1.950 ( 0.923 0.269 -0.851) 1.284 2.028 ( -1.217 0.362 -1.135) 1.703 2.028 ( 1.217 0.362 -1.135) 1.703 2.113 ( -2.585 2.121 -0.492) 3.380 2.113 ( 2.585 2.121 -0.492) 3.380 2.206 ( -0.320 3.811 -1.333) 4.050 2.206 ( 0.320 3.811 -1.333) 4.050 2.317 ( -3.432 0.511 1.998) 4.004 2.317 ( 3.432 0.511 1.998) 4.004 2.406 ( -1.796 -1.753 -0.247) 2.522 2.406 ( 1.796 -1.753 -0.247) 2.522 2.510 ( -1.171 -2.647 -0.408) 2.923 2.510 ( 1.171 -2.647 -0.408) 2.923 2.583 ( -2.201 -2.266 0.661) 3.228 2.583 ( 2.201 -2.266 0.661) 3.228 2.649 ( -1.732 1.868 0.129) 2.550 2.649 ( 1.732 1.868 0.129) 2.550 2.760 ( -5.721 2.903 -3.780) 7.446 2.760 ( 5.721 2.903 -3.780) 7.446 2.893 ( -2.171 -1.242 2.945) 3.864 2.893 ( 2.171 -1.242 2.945) 3.864 2.997 ( -1.010 -3.543 -0.216) 3.691 2.997 ( 1.010 -3.543 -0.216) 3.691 3.066 ( -4.177 -2.153 -1.599) 4.964 3.066 ( 4.177 -2.153 -1.599) 4.964 3.159 ( -1.315 -2.547 -0.965) 3.024 3.159 ( 1.315 -2.547 -0.965) 3.024 3.268 ( -1.438 -0.134 2.280) 2.699 3.268 ( 1.438 -0.134 2.280) 2.699 3.314 ( -1.228 -0.391 0.226) 1.308 3.314 ( 1.228 -0.391 0.226) 1.308 4.419 ( -1.281 0.641 0.295) 1.462 4.419 ( 1.281 0.641 0.295) 1.462 4.441 ( -0.797 0.412 -0.128) 0.906 4.441 ( 0.797 0.412 -0.128) 0.906 4.798 ( -0.590 0.657 0.296) 0.932 4.798 ( 0.590 0.657 0.296) 0.932 4.882 ( -0.346 -0.321 -0.326) 0.574 4.882 ( 0.346 -0.321 -0.326) 0.574 5.767 ( -0.855 0.286 -0.102) 0.908 5.767 ( 0.855 0.286 -0.102) 0.908 5.785 ( -1.757 0.061 -0.013) 1.758 5.785 ( 1.757 0.061 -0.013) 1.758 5.999 ( -0.358 0.709 0.227) 0.827 5.999 ( 0.358 0.709 0.227) 0.827 6.036 ( -0.173 0.286 -0.218) 0.399 6.036 ( 0.173 0.286 -0.218) 0.399 6.203 ( -0.474 0.466 0.355) 0.754 6.203 ( 0.474 0.466 0.355) 0.754 6.283 ( -0.226 -0.416 -0.395) 0.616 6.283 ( 0.226 -0.416 -0.395) 0.616 8.292 ( -1.867 -0.172 0.372) 1.911 8.292 ( 1.867 -0.172 0.372) 1.911 8.332 ( -0.766 -0.600 -0.349) 1.034 8.332 ( 0.766 -0.600 -0.349) 1.034 ======================= Grid point 63 (25/48) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 13.221 6.212) 14.608 0.892 ( 0.000 11.840 13.454) 17.922 1.225 ( 0.000 2.639 -7.923) 8.351 1.355 ( 0.000 4.043 -5.313) 6.676 1.414 ( 0.000 6.020 8.533) 10.443 1.551 ( 0.000 9.695 1.238) 9.774 1.592 ( 0.000 -3.821 -0.543) 3.860 1.627 ( 0.000 0.274 1.141) 1.174 1.672 ( 0.000 0.745 3.706) 3.780 1.711 ( 0.000 8.681 0.144) 8.682 1.766 ( 0.000 -0.847 1.191) 1.461 1.774 ( 0.000 1.688 1.922) 2.558 1.788 ( 0.000 -3.342 -2.355) 4.088 1.868 ( 0.000 0.274 -4.039) 4.048 1.927 ( 0.000 -0.373 -2.513) 2.540 1.933 ( 0.000 6.167 2.252) 6.565 2.029 ( 0.000 4.688 -1.739) 5.000 2.115 ( 0.000 3.748 2.029) 4.262 2.131 ( 0.000 3.517 -1.157) 3.702 2.157 ( 0.000 3.164 0.668) 3.233 2.178 ( 0.000 1.525 -2.015) 2.528 2.217 ( 0.000 5.542 -3.920) 6.788 2.226 ( 0.000 3.883 2.182) 4.454 2.255 ( 0.000 2.924 -3.598) 4.637 2.280 ( 0.000 4.593 1.170) 4.739 2.298 ( 0.000 -0.265 0.171) 0.315 2.313 ( 0.000 4.476 -1.126) 4.616 2.344 ( 0.000 4.074 -1.170) 4.238 2.434 ( 0.000 -3.233 -1.882) 3.741 2.480 ( 0.000 -0.452 -3.138) 3.170 2.516 ( 0.000 -1.099 -2.999) 3.194 2.524 ( 0.000 -0.152 3.030) 3.034 2.535 ( 0.000 0.450 -3.756) 3.783 2.603 ( 0.000 -0.843 1.473) 1.697 2.699 ( 0.000 -5.062 1.690) 5.337 2.780 ( 0.000 -5.349 0.031) 5.349 2.863 ( 0.000 -1.354 1.529) 2.042 2.915 ( 0.000 0.036 3.368) 3.369 2.935 ( 0.000 -1.743 -1.068) 2.044 2.998 ( 0.000 -6.954 1.064) 7.035 3.031 ( 0.000 -1.316 0.490) 1.404 3.058 ( 0.000 1.084 1.682) 2.001 3.089 ( 0.000 0.018 -1.699) 1.699 3.167 ( 0.000 -2.247 -1.932) 2.964 3.196 ( 0.000 -2.895 7.293) 7.847 3.264 ( 0.000 -1.275 -2.534) 2.837 3.305 ( 0.000 -0.599 -1.988) 2.076 3.376 ( 0.000 -7.541 -0.923) 7.597 4.369 ( 0.000 0.371 1.006) 1.073 4.390 ( 0.000 -0.273 0.451) 0.527 4.462 ( 0.000 -0.435 -0.528) 0.684 4.473 ( 0.000 -0.558 -1.071) 1.208 4.793 ( 0.000 0.376 0.386) 0.539 4.820 ( 0.000 0.199 -0.664) 0.693 4.853 ( 0.000 -0.698 0.213) 0.730 4.856 ( 0.000 -0.130 0.012) 0.130 5.714 ( 0.000 -0.029 0.768) 0.768 5.734 ( 0.000 -0.326 -0.174) 0.369 5.833 ( 0.000 0.103 0.345) 0.360 5.862 ( 0.000 -0.464 -0.852) 0.970 5.997 ( 0.000 1.033 0.388) 1.104 6.021 ( 0.000 0.514 -0.541) 0.747 6.042 ( 0.000 0.200 0.439) 0.482 6.050 ( 0.000 -0.142 0.078) 0.162 6.205 ( 0.000 -0.023 0.900) 0.900 6.232 ( 0.000 -0.741 0.096) 0.747 6.242 ( 0.000 -0.029 -0.097) 0.102 6.256 ( 0.000 -0.391 -0.792) 0.883 8.227 ( 0.000 1.406 1.182) 1.836 8.298 ( 0.000 -0.485 -1.498) 1.574 8.329 ( 0.000 -1.218 0.488) 1.312 8.344 ( 0.000 -1.561 0.021) 1.562 ======================= Grid point 64 (26/48) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 1.639 13.472 6.251) 14.942 0.944 ( 5.398 9.721 12.344) 16.614 1.212 ( -1.072 3.097 -6.844) 7.588 1.377 ( 1.415 4.268 -2.817) 5.306 1.413 ( -0.651 0.781 3.492) 3.637 1.505 ( -3.547 3.574 -1.388) 5.224 1.597 ( -0.752 -2.831 2.027) 3.562 1.654 ( 1.599 5.816 1.489) 6.213 1.663 ( -0.031 2.614 1.536) 3.032 1.671 ( -2.119 7.266 0.405) 7.580 1.745 ( -1.051 1.100 -0.389) 1.571 1.779 ( 0.226 -0.356 1.192) 1.264 1.805 ( 0.771 -1.377 -0.366) 1.620 1.852 ( -1.885 1.332 -2.666) 3.526 1.905 ( -1.404 3.015 0.173) 3.330 1.943 ( 0.577 2.848 0.320) 2.924 2.028 ( -0.991 3.942 -1.326) 4.275 2.079 ( -2.459 3.226 -0.768) 4.129 2.100 ( -2.467 2.329 0.405) 3.417 2.148 ( -3.718 5.383 -0.721) 6.581 2.179 ( 2.097 4.185 -2.231) 5.185 2.205 ( -2.626 3.188 0.627) 4.178 2.228 ( 3.213 4.885 -0.438) 5.863 2.272 ( 1.458 3.129 0.428) 3.478 2.292 ( 0.280 3.523 0.057) 3.535 2.308 ( 1.595 -0.394 -1.247) 2.062 2.336 ( 1.391 0.286 -0.455) 1.491 2.364 ( 1.884 1.483 -0.572) 2.465 2.453 ( 0.180 1.613 -1.637) 2.305 2.459 ( 0.195 -4.909 -1.688) 5.195 2.488 ( -1.886 0.055 -2.173) 2.878 2.551 ( 3.413 0.354 1.132) 3.613 2.593 ( 4.191 1.711 -5.001) 6.745 2.605 ( -0.181 0.241 0.570) 0.645 2.718 ( 2.170 -4.889 2.393) 5.860 2.799 ( 1.280 -5.040 -0.388) 5.214 2.868 ( 0.047 -1.427 2.894) 3.227 2.908 ( -0.438 0.788 3.067) 3.196 2.933 ( -2.135 -2.580 -0.314) 3.364 2.965 ( -2.310 -0.652 0.501) 2.452 3.028 ( -0.340 -0.809 0.268) 0.917 3.042 ( 0.806 -5.720 0.560) 5.803 3.111 ( 0.380 -0.226 -2.449) 2.489 3.164 ( -1.101 -2.288 -3.456) 4.289 3.203 ( 0.820 -3.419 5.654) 6.658 3.244 ( -0.978 -0.867 -0.782) 1.523 3.311 ( 0.064 -1.132 -0.347) 1.185 3.343 ( -2.821 -5.272 0.124) 5.981 4.381 ( 1.263 0.572 0.891) 1.649 4.405 ( 1.375 -0.175 0.011) 1.387 4.460 ( -0.189 -0.212 -0.331) 0.436 4.472 ( -0.189 -0.344 -0.778) 0.872 4.796 ( 0.349 0.563 0.379) 0.763 4.823 ( 0.215 0.358 -0.609) 0.738 4.857 ( 0.311 -0.361 0.037) 0.478 4.860 ( 0.510 -0.566 0.029) 0.762 5.722 ( 0.932 0.129 0.586) 1.109 5.739 ( 0.589 -0.173 -0.175) 0.638 5.824 ( -0.876 0.220 0.324) 0.960 5.852 ( -1.083 -0.357 -0.739) 1.359 6.001 ( 0.409 1.028 0.347) 1.160 6.021 ( -0.052 0.617 -0.326) 0.700 6.042 ( -0.022 0.197 0.234) 0.307 6.049 ( -0.134 -0.073 0.002) 0.152 6.205 ( 0.070 0.206 0.807) 0.836 6.235 ( -0.430 0.170 -0.219) 0.512 6.243 ( 0.755 -0.743 0.145) 1.070 6.262 ( 0.516 -0.496 -0.655) 0.970 8.237 ( 1.024 1.164 1.023) 1.858 8.299 ( 0.084 -0.485 -1.310) 1.400 8.326 ( -0.349 -1.110 0.427) 1.240 8.339 ( -0.502 -1.431 0.021) 1.517 ======================= Grid point 65 (27/48) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 6.380 10.545 4.325) 13.062 1.078 ( 8.540 5.536 9.857) 14.168 1.189 ( -2.072 2.555 -3.980) 5.163 1.333 ( -6.129 2.889 0.054) 6.776 1.368 ( -3.078 2.478 -0.673) 4.008 1.460 ( -4.679 1.689 3.337) 5.990 1.569 ( 2.248 2.022 -3.800) 4.856 1.663 ( 1.581 -2.487 -1.621) 3.363 1.678 ( 1.922 2.627 -0.328) 3.271 1.712 ( 1.157 3.354 0.544) 3.589 1.732 ( 0.790 2.703 0.337) 2.836 1.762 ( -2.138 2.526 -1.620) 3.685 1.803 ( -2.675 0.770 -0.891) 2.923 1.829 ( 0.417 2.862 2.220) 3.646 1.875 ( -0.844 2.659 -1.426) 3.133 1.943 ( -0.972 4.321 2.070) 4.889 2.001 ( -1.031 4.211 0.589) 4.376 2.039 ( -2.017 4.953 -0.832) 5.412 2.055 ( -1.674 1.337 -2.131) 3.022 2.088 ( -2.342 4.240 -2.114) 5.285 2.164 ( -0.888 2.471 1.891) 3.235 2.227 ( 0.517 3.065 -0.606) 3.167 2.285 ( 1.434 3.279 -0.773) 3.662 2.287 ( 1.488 3.491 1.188) 3.976 2.296 ( 0.571 2.454 0.090) 2.521 2.323 ( 0.134 0.196 1.296) 1.318 2.359 ( 1.521 0.626 0.141) 1.651 2.417 ( 3.236 -0.900 -1.145) 3.548 2.434 ( -1.364 0.048 -0.859) 1.613 2.469 ( 0.435 -0.571 -1.971) 2.098 2.492 ( 1.735 -1.824 -0.372) 2.544 2.578 ( -0.622 -0.036 0.842) 1.048 2.644 ( 4.060 1.263 0.921) 4.351 2.676 ( 4.063 1.770 -3.454) 5.619 2.762 ( 2.191 -2.241 1.455) 3.456 2.808 ( -0.695 -4.055 0.518) 4.147 2.845 ( -2.368 2.719 2.060) 4.152 2.870 ( -1.851 -3.809 1.392) 4.458 2.903 ( -0.093 -0.299 0.781) 0.841 2.943 ( -1.195 -3.233 -1.725) 3.854 3.006 ( -1.761 -3.233 0.542) 3.721 3.068 ( -0.767 -4.755 -3.686) 6.065 3.103 ( -0.578 -0.648 -1.576) 1.800 3.122 ( -0.976 -1.324 -3.045) 3.461 3.231 ( 1.986 -2.804 2.595) 4.306 3.244 ( 0.423 -1.191 2.564) 2.858 3.291 ( -1.734 -2.915 1.596) 3.748 3.309 ( -1.071 -1.572 0.194) 1.912 4.410 ( 1.616 0.873 0.655) 1.950 4.431 ( 1.265 0.365 -0.242) 1.338 4.453 ( -0.580 0.293 0.092) 0.656 4.465 ( -0.530 0.194 -0.317) 0.647 4.805 ( 0.605 0.887 0.314) 1.119 4.824 ( -0.175 0.725 -0.285) 0.799 4.865 ( 0.492 -0.404 -0.132) 0.650 4.870 ( 0.412 -0.679 -0.205) 0.820 5.747 ( 1.716 0.328 0.162) 1.754 5.755 ( 1.117 0.162 -0.135) 1.137 5.803 ( -1.331 0.412 0.228) 1.412 5.824 ( -1.870 -0.075 -0.512) 1.940 6.010 ( 0.510 0.986 0.259) 1.140 6.020 ( -0.055 0.778 -0.003) 0.780 6.041 ( -0.007 0.204 -0.033) 0.207 6.046 ( -0.215 0.087 -0.093) 0.250 6.208 ( 0.339 0.596 0.567) 0.890 6.225 ( -0.517 0.592 -0.015) 0.786 6.259 ( 0.849 -0.798 -0.047) 1.166 6.270 ( 0.286 -0.634 -0.476) 0.843 8.262 ( 1.508 0.565 0.664) 1.742 8.301 ( 0.018 -0.475 -0.755) 0.893 8.316 ( -0.569 -0.838 0.264) 1.047 8.328 ( -0.688 -1.136 -0.064) 1.329 ======================= Grid point 66 (28/48) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -8.573 4.749 1.485) 9.912 1.083 ( 8.573 4.749 1.485) 9.912 1.230 ( -6.628 2.960 2.515) 7.682 1.230 ( 6.628 2.960 2.515) 7.682 1.354 ( -3.588 3.930 2.882) 6.052 1.354 ( 3.588 3.930 2.882) 6.052 1.653 ( -4.343 0.641 -6.069) 7.490 1.653 ( 4.343 0.641 -6.069) 7.490 1.704 ( -1.296 -1.710 -0.125) 2.149 1.704 ( 1.296 -1.710 -0.125) 2.149 1.752 ( -1.689 7.238 -0.311) 7.439 1.752 ( 1.689 7.238 -0.311) 7.439 1.782 ( -2.965 -1.594 0.359) 3.385 1.782 ( 2.965 -1.594 0.359) 3.385 1.908 ( -2.426 4.126 1.711) 5.083 1.908 ( 2.426 4.126 1.711) 5.083 2.006 ( -1.316 5.896 0.464) 6.059 2.006 ( 1.316 5.896 0.464) 6.059 2.054 ( -1.235 2.057 -2.791) 3.680 2.054 ( 1.235 2.057 -2.791) 3.680 2.188 ( -3.100 1.817 1.066) 3.748 2.188 ( 3.100 1.817 1.066) 3.748 2.294 ( -0.465 2.565 0.995) 2.790 2.294 ( 0.465 2.565 0.995) 2.790 2.319 ( -0.724 3.237 0.097) 3.318 2.319 ( 0.724 3.237 0.097) 3.318 2.401 ( -2.326 0.682 -0.641) 2.507 2.401 ( 2.326 0.682 -0.641) 2.507 2.463 ( -1.400 -0.913 -1.061) 1.980 2.463 ( 1.400 -0.913 -1.061) 1.980 2.543 ( -3.262 -1.294 1.518) 3.823 2.543 ( 3.262 -1.294 1.518) 3.823 2.701 ( -1.682 2.123 1.007) 2.890 2.701 ( 1.682 2.123 1.007) 2.890 2.787 ( -1.383 -0.519 -0.373) 1.524 2.787 ( 1.383 -0.519 -0.373) 1.524 2.846 ( -1.799 -3.318 1.371) 4.015 2.846 ( 1.799 -3.318 1.371) 4.015 2.911 ( -1.312 -3.293 -1.494) 3.847 2.911 ( 1.312 -3.293 -1.494) 3.847 3.008 ( -2.632 -1.755 -3.038) 4.386 3.008 ( 2.632 -1.755 -3.038) 4.386 3.118 ( -0.472 -1.644 -1.652) 2.378 3.118 ( 0.472 -1.644 -1.652) 2.378 3.251 ( -0.378 -1.574 2.775) 3.213 3.251 ( 0.378 -1.574 2.775) 3.213 3.285 ( -1.289 -2.476 0.912) 2.936 3.285 ( 1.289 -2.476 0.912) 2.936 4.436 ( -1.130 0.849 0.371) 1.461 4.436 ( 1.130 0.849 0.371) 1.461 4.452 ( -0.853 0.519 -0.119) 1.005 4.452 ( 0.853 0.519 -0.119) 1.005 4.816 ( -0.554 0.978 0.114) 1.129 4.816 ( 0.554 0.978 0.114) 1.129 4.872 ( -0.211 -0.573 -0.292) 0.677 4.872 ( 0.211 -0.573 -0.292) 0.677 5.775 ( -1.006 0.504 -0.121) 1.131 5.775 ( 1.006 0.504 -0.121) 1.131 5.787 ( -1.702 0.155 -0.083) 1.711 5.787 ( 1.702 0.155 -0.083) 1.711 6.017 ( -0.261 0.898 0.168) 0.950 6.017 ( 0.261 0.898 0.168) 0.950 6.042 ( -0.122 0.195 -0.117) 0.258 6.042 ( 0.122 0.195 -0.117) 0.258 6.216 ( -0.469 0.761 0.262) 0.931 6.216 ( 0.469 0.761 0.262) 0.931 6.270 ( -0.307 -0.731 -0.260) 0.834 6.270 ( 0.307 -0.731 -0.260) 0.834 8.289 ( -1.252 -0.101 0.266) 1.284 8.289 ( 1.252 -0.101 0.266) 1.284 8.316 ( -0.506 -0.849 -0.222) 1.013 8.316 ( 0.506 -0.849 -0.222) 1.013 ======================= Grid point 70 (29/48) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 9.103 0.891) 9.147 1.133 ( 0.000 8.741 5.570) 10.365 1.271 ( 0.000 2.868 -2.752) 3.975 1.392 ( 0.000 -0.387 3.097) 3.121 1.406 ( 0.000 -1.886 4.679) 5.045 1.430 ( 0.000 -8.709 1.102) 8.779 1.614 ( 0.000 0.027 -0.983) 0.983 1.639 ( 0.000 0.446 1.920) 1.971 1.695 ( 0.000 -2.310 -0.942) 2.495 1.704 ( 0.000 -3.361 -0.236) 3.369 1.740 ( 0.000 1.544 -0.091) 1.547 1.799 ( 0.000 -1.436 -2.152) 2.587 1.882 ( 0.000 3.105 -2.412) 3.932 1.912 ( 0.000 0.860 -2.646) 2.783 2.042 ( 0.000 7.497 0.572) 7.519 2.045 ( 0.000 2.505 1.782) 3.074 2.125 ( 0.000 5.106 0.796) 5.167 2.163 ( 0.000 0.301 0.161) 0.341 2.165 ( 0.000 1.279 -2.588) 2.887 2.174 ( 0.000 0.465 2.587) 2.629 2.215 ( 0.000 5.890 1.339) 6.040 2.274 ( 0.000 -1.040 1.951) 2.211 2.290 ( 0.000 -1.276 0.927) 1.577 2.321 ( 0.000 -1.709 -0.459) 1.769 2.337 ( 0.000 1.258 -1.649) 2.074 2.340 ( 0.000 1.220 -0.669) 1.391 2.371 ( 0.000 2.935 0.350) 2.956 2.384 ( 0.000 0.195 0.842) 0.864 2.438 ( 0.000 7.662 1.606) 7.828 2.525 ( 0.000 1.766 -2.163) 2.792 2.546 ( 0.000 2.531 -1.998) 3.224 2.562 ( 0.000 2.245 -1.027) 2.469 2.571 ( 0.000 -1.229 0.399) 1.293 2.631 ( 0.000 6.623 -3.720) 7.596 2.644 ( 0.000 -0.524 -0.360) 0.636 2.664 ( 0.000 -4.103 -2.789) 4.961 2.755 ( 0.000 -9.768 0.022) 9.768 2.847 ( 0.000 -6.230 -2.801) 6.831 2.850 ( 0.000 0.942 -0.078) 0.945 2.938 ( 0.000 -6.487 -1.475) 6.652 2.987 ( 0.000 4.535 2.435) 5.147 3.090 ( 0.000 -2.566 -3.336) 4.209 3.094 ( 0.000 0.984 3.486) 3.622 3.123 ( 0.000 -1.512 2.037) 2.537 3.181 ( 0.000 1.219 3.771) 3.963 3.194 ( 0.000 -2.670 0.251) 2.682 3.264 ( 0.000 -2.442 -1.770) 3.016 3.267 ( 0.000 -2.543 0.693) 2.635 4.377 ( 0.000 0.339 0.805) 0.873 4.383 ( 0.000 -0.306 0.623) 0.694 4.457 ( 0.000 0.025 -0.624) 0.625 4.462 ( 0.000 -0.414 -0.850) 0.945 4.806 ( 0.000 0.797 0.199) 0.822 4.821 ( 0.000 -0.374 -0.403) 0.550 4.842 ( 0.000 -0.050 0.191) 0.197 4.849 ( 0.000 -0.458 -0.128) 0.476 5.718 ( 0.000 0.383 0.566) 0.684 5.727 ( 0.000 -0.363 0.260) 0.446 5.839 ( 0.000 0.494 -0.338) 0.599 5.851 ( 0.000 -0.568 -0.770) 0.957 6.018 ( 0.000 0.881 0.110) 0.888 6.028 ( 0.000 0.021 -0.354) 0.355 6.043 ( 0.000 -0.031 0.273) 0.275 6.045 ( 0.000 -0.260 0.288) 0.388 6.207 ( 0.000 0.281 0.741) 0.792 6.217 ( 0.000 -0.642 0.468) 0.795 6.243 ( 0.000 0.126 -0.420) 0.439 6.248 ( 0.000 -0.305 -0.681) 0.746 8.259 ( 0.000 1.466 0.422) 1.526 8.284 ( 0.000 -0.844 -0.543) 1.004 8.310 ( 0.000 -0.451 0.233) 0.508 8.315 ( 0.000 -0.995 0.071) 0.998 ======================= Grid point 71 (30/48) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 1.413 8.809 1.830) 9.108 1.153 ( 2.067 8.555 5.577) 10.419 1.255 ( -1.403 1.388 -0.730) 2.104 1.373 ( -1.940 -4.555 3.253) 5.924 1.421 ( 2.202 0.840 0.810) 2.492 1.462 ( 2.167 -4.578 1.538) 5.293 1.591 ( -1.784 1.787 -1.379) 2.877 1.642 ( -1.006 -0.487 0.411) 1.191 1.648 ( -3.862 -0.598 -1.713) 4.267 1.689 ( -1.397 -3.543 -0.965) 3.929 1.736 ( -0.340 -1.451 0.969) 1.777 1.769 ( -3.151 -2.604 -1.311) 4.293 1.876 ( 0.288 3.764 -1.949) 4.248 1.909 ( -0.190 0.117 -3.044) 3.053 2.045 ( 0.309 3.424 1.592) 3.789 2.067 ( 0.994 8.052 2.272) 8.425 2.093 ( -2.136 2.311 1.607) 3.533 2.137 ( -1.660 2.215 -1.295) 3.056 2.165 ( -0.545 2.549 -1.285) 2.906 2.193 ( 0.257 -0.022 1.383) 1.407 2.195 ( -1.016 2.447 0.566) 2.709 2.262 ( -1.272 -1.786 2.072) 3.017 2.285 ( -1.259 2.128 0.344) 2.496 2.321 ( -0.411 -1.736 -0.229) 1.799 2.333 ( -0.217 0.740 -0.948) 1.222 2.346 ( 0.697 -0.125 -1.067) 1.281 2.377 ( 1.023 2.265 -1.248) 2.781 2.392 ( -0.348 2.333 0.224) 2.370 2.424 ( 1.742 5.551 2.408) 6.296 2.520 ( -1.446 1.475 -2.109) 2.952 2.538 ( 0.911 4.811 -1.328) 5.074 2.590 ( 0.741 -0.355 -0.763) 1.121 2.604 ( 0.967 -1.274 -1.245) 2.027 2.613 ( 3.136 0.754 -0.046) 3.226 2.658 ( 1.481 -0.316 0.491) 1.592 2.739 ( 3.468 3.351 -4.439) 6.555 2.765 ( 1.759 -9.076 0.602) 9.265 2.846 ( 0.127 -0.884 -0.571) 1.060 2.876 ( 2.631 -5.136 -2.038) 6.120 2.911 ( -2.510 -5.899 -1.175) 6.518 2.991 ( 0.045 4.303 2.278) 4.869 3.073 ( -2.294 2.531 0.357) 3.434 3.092 ( 0.094 -2.739 -1.027) 2.927 3.130 ( 0.767 -0.076 1.561) 1.741 3.146 ( -2.315 -1.658 2.550) 3.822 3.193 ( -0.566 -2.787 1.826) 3.380 3.260 ( -0.327 -1.924 -0.043) 1.952 3.270 ( -0.073 -2.112 -0.665) 2.215 4.393 ( 1.594 0.460 0.687) 1.795 4.400 ( 1.650 -0.273 0.425) 1.726 4.459 ( 0.195 0.133 -0.410) 0.473 4.465 ( 0.202 -0.308 -0.612) 0.714 4.812 ( 0.648 0.910 0.153) 1.127 4.828 ( 0.633 -0.193 -0.484) 0.820 4.845 ( 0.308 -0.236 0.173) 0.425 4.851 ( 0.202 -0.458 -0.121) 0.515 5.728 ( 1.040 0.371 0.436) 1.187 5.735 ( 0.887 -0.250 0.188) 0.941 5.832 ( -0.744 0.504 -0.274) 0.940 5.843 ( -0.849 -0.479 -0.655) 1.174 6.022 ( 0.355 0.849 0.099) 0.925 6.031 ( 0.197 0.166 -0.279) 0.380 6.042 ( -0.080 -0.085 0.238) 0.265 6.045 ( -0.018 -0.249 0.183) 0.310 6.212 ( 0.489 0.473 0.642) 0.936 6.225 ( 0.758 -0.742 0.380) 1.127 6.242 ( -0.099 0.365 -0.367) 0.527 6.251 ( 0.269 -0.497 -0.558) 0.795 8.264 ( 0.506 1.253 0.367) 1.400 8.286 ( 0.174 -0.754 -0.476) 0.908 8.308 ( -0.193 -0.426 0.209) 0.512 8.313 ( -0.239 -0.899 0.066) 0.933 ======================= Grid point 72 (31/48) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 2.501 8.119 2.225) 8.782 1.202 ( 2.763 6.438 5.926) 9.176 1.233 ( -0.434 0.648 -0.038) 0.781 1.338 ( -2.176 -3.472 1.801) 4.476 1.428 ( -0.886 3.149 0.754) 3.357 1.526 ( 2.435 -3.045 -0.163) 3.903 1.528 ( -4.019 3.226 0.776) 5.212 1.583 ( -0.736 -1.352 -3.004) 3.376 1.628 ( -0.834 -2.427 -1.081) 2.785 1.667 ( -0.616 -5.087 -2.091) 5.534 1.700 ( -3.187 -1.490 -1.881) 3.989 1.730 ( -1.255 -3.816 0.507) 4.049 1.890 ( 1.561 4.089 -1.850) 4.751 1.929 ( 2.470 1.019 -1.459) 3.044 2.016 ( -3.305 5.168 3.332) 6.980 2.050 ( -1.989 4.882 0.513) 5.297 2.082 ( -0.658 1.475 1.132) 1.972 2.117 ( -0.692 3.539 -0.178) 3.611 2.146 ( -1.521 1.374 -1.337) 2.447 2.159 ( -0.079 4.503 1.535) 4.759 2.195 ( -1.675 -1.623 -1.046) 2.556 2.231 ( -2.580 2.645 0.780) 3.777 2.265 ( 0.598 -1.601 2.035) 2.657 2.313 ( -0.816 -1.822 0.939) 2.207 2.349 ( 2.163 -0.194 -1.212) 2.487 2.361 ( 1.345 0.691 -0.536) 1.604 2.398 ( 1.218 1.309 -1.697) 2.465 2.400 ( 0.897 1.149 -1.186) 1.879 2.485 ( 3.681 4.833 1.371) 6.229 2.514 ( 0.722 3.028 -1.284) 3.367 2.554 ( 0.429 5.619 -1.030) 5.729 2.587 ( -0.269 1.048 -0.786) 1.338 2.631 ( 1.557 -4.243 0.072) 4.520 2.662 ( 1.427 -3.966 -0.134) 4.217 2.703 ( 0.899 0.923 0.846) 1.541 2.714 ( -1.649 -4.179 0.660) 4.541 2.829 ( -0.987 -1.184 -1.573) 2.202 2.852 ( 2.841 0.018 -1.872) 3.402 2.892 ( 1.661 -2.965 -0.146) 3.402 2.922 ( 1.552 -3.190 -0.564) 3.592 2.976 ( -1.691 6.230 1.366) 6.599 3.027 ( -1.550 1.877 0.002) 2.434 3.084 ( -1.551 -2.648 -0.664) 3.139 3.097 ( -1.992 -1.674 -0.456) 2.642 3.166 ( 2.521 -1.969 1.159) 3.402 3.192 ( 0.794 -2.940 2.756) 4.107 3.243 ( -1.442 -1.040 0.041) 1.779 3.259 ( -1.264 -2.321 -0.277) 2.658 4.426 ( 1.785 0.620 0.485) 1.951 4.434 ( 1.728 -0.088 0.183) 1.740 4.461 ( -0.104 0.377 0.009) 0.391 4.467 ( -0.072 -0.088 -0.181) 0.213 4.827 ( 0.791 1.059 0.051) 1.323 4.839 ( 0.340 0.524 -0.403) 0.743 4.852 ( 0.395 -0.732 -0.012) 0.832 4.856 ( 0.256 -0.596 -0.163) 0.669 5.754 ( 1.725 0.292 0.130) 1.755 5.757 ( 1.478 0.021 0.037) 1.478 5.813 ( -1.295 0.479 -0.167) 1.391 5.821 ( -1.513 -0.245 -0.427) 1.592 6.029 ( 0.384 0.742 0.089) 0.840 6.034 ( 0.122 0.474 -0.056) 0.493 6.042 ( 0.014 -0.176 0.066) 0.188 6.044 ( -0.059 -0.226 0.054) 0.240 6.223 ( 0.671 0.773 0.403) 1.100 6.239 ( 0.040 0.441 -0.141) 0.465 6.241 ( 0.631 -0.598 0.157) 0.883 6.255 ( 0.102 -0.747 -0.339) 0.826 8.276 ( 0.760 0.748 0.248) 1.094 8.291 ( 0.304 -0.528 -0.314) 0.685 8.302 ( -0.430 -0.326 0.182) 0.570 8.307 ( -0.383 -0.725 0.017) 0.820 ======================= Grid point 73 (32/48) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -1.933 5.659 2.438) 6.458 1.197 ( 1.933 5.659 2.438) 6.458 1.283 ( -3.783 -0.614 1.322) 4.054 1.283 ( 3.783 -0.614 1.322) 4.054 1.438 ( -2.835 5.291 2.225) 6.402 1.438 ( 2.835 5.291 2.225) 6.402 1.577 ( -1.287 -6.301 -1.758) 6.667 1.577 ( 1.287 -6.301 -1.758) 6.667 1.638 ( -2.783 -0.447 -1.860) 3.377 1.638 ( 2.783 -0.447 -1.860) 3.377 1.693 ( -2.294 -4.090 -1.984) 5.092 1.693 ( 2.294 -4.090 -1.984) 5.092 1.943 ( -3.615 5.596 0.481) 6.679 1.943 ( 3.615 5.596 0.481) 6.679 1.992 ( -3.451 1.618 0.133) 3.813 1.992 ( 3.451 1.618 0.133) 3.813 2.086 ( -1.420 3.117 0.822) 3.523 2.086 ( 1.420 3.117 0.822) 3.523 2.156 ( -1.768 -0.192 -1.163) 2.125 2.156 ( 1.768 -0.192 -1.163) 2.125 2.185 ( -2.185 4.495 1.370) 5.183 2.185 ( 2.185 4.495 1.370) 5.183 2.287 ( -1.542 -2.791 1.550) 3.545 2.287 ( 1.542 -2.791 1.550) 3.545 2.380 ( -0.558 1.235 -1.716) 2.187 2.380 ( 0.558 1.235 -1.716) 2.187 2.412 ( -0.172 -0.450 -1.507) 1.582 2.412 ( 0.172 -0.450 -1.507) 1.582 2.534 ( -0.169 5.948 0.177) 5.953 2.534 ( 0.169 5.948 0.177) 5.953 2.557 ( -1.862 3.324 0.342) 3.825 2.557 ( 1.862 3.324 0.342) 3.825 2.672 ( -1.919 -4.382 -0.483) 4.809 2.672 ( 1.919 -4.382 -0.483) 4.809 2.685 ( -2.670 -6.604 -0.091) 7.124 2.685 ( 2.670 -6.604 -0.091) 7.124 2.853 ( -3.192 3.746 0.733) 4.976 2.853 ( 3.192 3.746 0.733) 4.976 2.918 ( -0.718 0.185 1.160) 1.377 2.918 ( 0.718 0.185 1.160) 1.377 2.993 ( -2.815 1.594 -2.774) 4.262 2.993 ( 2.815 1.594 -2.774) 4.262 3.070 ( -0.995 -3.308 0.410) 3.478 3.070 ( 0.995 -3.308 0.410) 3.478 3.210 ( -1.853 -1.341 0.662) 2.381 3.210 ( 1.853 -1.341 0.662) 2.381 3.225 ( -2.147 -2.481 0.681) 3.351 3.225 ( 2.147 -2.481 0.681) 3.351 4.452 ( -0.929 0.597 0.300) 1.145 4.452 ( 0.929 0.597 0.300) 1.145 4.459 ( -0.859 0.022 0.074) 0.863 4.459 ( 0.859 0.022 0.074) 0.863 4.838 ( -0.375 1.000 -0.091) 1.072 4.838 ( 0.375 1.000 -0.091) 1.072 4.857 ( -0.136 -0.810 -0.230) 0.852 4.857 ( 0.136 -0.810 -0.230) 0.852 5.785 ( -1.244 0.376 -0.134) 1.307 5.785 ( 1.244 0.376 -0.134) 1.307 5.790 ( -1.516 -0.002 -0.129) 1.522 5.790 ( 1.516 -0.002 -0.129) 1.522 6.034 ( -0.141 0.622 0.083) 0.643 6.034 ( 0.141 0.622 0.083) 0.643 6.043 ( -0.080 -0.183 -0.014) 0.200 6.043 ( 0.080 -0.183 -0.014) 0.200 6.234 ( -0.450 0.883 0.112) 0.997 6.234 ( 0.450 0.883 0.112) 0.997 6.253 ( -0.397 -0.883 -0.076) 0.971 6.253 ( 0.397 -0.883 -0.076) 0.971 8.290 ( -0.627 0.245 0.115) 0.683 8.290 ( 0.627 0.245 0.115) 0.683 8.299 ( -0.357 -0.664 -0.056) 0.756 8.299 ( 0.357 -0.664 -0.056) 0.756 ======================= Grid point 98 (33/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.000 0.000 -15.892) 15.892 0.730 ( 0.000 0.000 15.892) 15.892 0.841 ( 0.000 0.000 -17.419) 17.419 0.841 ( 0.000 0.000 17.419) 17.419 1.417 ( 0.000 0.000 -28.297) 28.297 1.417 ( 0.000 0.000 28.297) 28.297 1.623 ( 0.000 0.000 -0.829) 0.829 1.623 ( 0.000 0.000 0.829) 0.829 1.655 ( 0.000 0.000 -1.586) 1.586 1.655 ( 0.000 0.000 1.586) 1.586 1.680 ( 0.000 0.000 -4.603) 4.603 1.680 ( 0.000 0.000 4.603) 4.603 1.723 ( 0.000 0.000 -5.016) 5.016 1.723 ( 0.000 0.000 5.016) 5.016 1.826 ( 0.000 0.000 -0.452) 0.452 1.826 ( 0.000 0.000 0.452) 0.452 1.920 ( 0.000 0.000 -1.235) 1.235 1.920 ( 0.000 0.000 1.235) 1.235 2.048 ( 0.000 0.000 -0.198) 0.198 2.048 ( 0.000 0.000 0.198) 0.198 2.052 ( 0.000 0.000 -2.211) 2.211 2.052 ( 0.000 0.000 2.211) 2.211 2.147 ( 0.000 0.000 -0.761) 0.761 2.147 ( 0.000 0.000 0.761) 0.761 2.180 ( 0.000 0.000 -2.425) 2.425 2.180 ( 0.000 0.000 2.425) 2.425 2.462 ( 0.000 0.000 -0.903) 0.903 2.462 ( 0.000 0.000 0.903) 0.903 2.463 ( 0.000 0.000 -0.178) 0.178 2.463 ( 0.000 0.000 0.178) 0.178 2.537 ( 0.000 0.000 -1.818) 1.818 2.537 ( 0.000 0.000 1.818) 1.818 2.604 ( 0.000 0.000 -3.368) 3.368 2.604 ( 0.000 0.000 3.368) 3.368 2.816 ( 0.000 0.000 -0.567) 0.567 2.816 ( 0.000 0.000 0.567) 0.567 2.991 ( 0.000 0.000 -3.993) 3.993 2.991 ( 0.000 0.000 3.993) 3.993 3.016 ( 0.000 0.000 -1.669) 1.669 3.016 ( 0.000 0.000 1.669) 1.669 3.099 ( 0.000 0.000 -3.741) 3.741 3.099 ( 0.000 0.000 3.741) 3.741 3.165 ( 0.000 0.000 -1.972) 1.972 3.165 ( 0.000 0.000 1.972) 1.972 3.214 ( 0.000 0.000 -2.854) 2.854 3.214 ( 0.000 0.000 2.854) 2.854 3.477 ( 0.000 0.000 -7.436) 7.436 3.477 ( 0.000 0.000 7.436) 7.436 4.389 ( 0.000 0.000 -1.095) 1.095 4.389 ( 0.000 0.000 1.095) 1.095 4.470 ( 0.000 0.000 -0.094) 0.094 4.470 ( 0.000 0.000 0.094) 0.094 4.803 ( 0.000 0.000 -0.705) 0.705 4.803 ( 0.000 0.000 0.705) 0.705 4.862 ( 0.000 0.000 -0.383) 0.383 4.862 ( 0.000 0.000 0.383) 0.383 5.738 ( 0.000 0.000 -0.053) 0.053 5.738 ( 0.000 0.000 0.053) 0.053 5.863 ( 0.000 0.000 -1.022) 1.022 5.863 ( 0.000 0.000 1.022) 1.022 5.986 ( 0.000 0.000 -0.910) 0.910 5.986 ( 0.000 0.000 0.910) 0.910 6.038 ( 0.000 0.000 -0.528) 0.528 6.038 ( 0.000 0.000 0.528) 0.528 6.231 ( 0.000 0.000 -1.071) 1.071 6.231 ( 0.000 0.000 1.071) 1.071 6.254 ( 0.000 0.000 -0.538) 0.538 6.254 ( 0.000 0.000 0.538) 0.538 8.249 ( 0.000 0.000 -2.873) 2.873 8.249 ( 0.000 0.000 2.873) 2.873 8.379 ( 0.000 0.000 -0.551) 0.551 8.379 ( 0.000 0.000 0.551) 0.551 ======================= Grid point 100 (34/48) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 6.987 0.000 -13.800) 15.468 0.800 ( 6.987 0.000 13.800) 15.468 0.843 ( 1.490 0.000 -15.688) 15.758 0.843 ( 1.490 0.000 15.688) 15.758 1.503 ( 7.343 0.000 -24.275) 25.362 1.503 ( 7.343 0.000 24.275) 25.362 1.548 ( -5.910 0.000 -2.715) 6.503 1.548 ( -5.910 0.000 2.715) 6.503 1.581 ( -6.979 0.000 -1.281) 7.096 1.581 ( -6.979 0.000 1.281) 7.096 1.660 ( -1.320 0.000 -0.751) 1.519 1.660 ( -1.320 0.000 0.751) 1.519 1.777 ( 2.633 0.000 -1.069) 2.842 1.777 ( 2.633 0.000 1.069) 2.842 1.823 ( 0.199 0.000 -0.086) 0.217 1.823 ( 0.199 0.000 0.086) 0.217 1.931 ( 1.030 0.000 -0.853) 1.337 1.931 ( 1.030 0.000 0.853) 1.337 2.010 ( -3.222 0.000 -0.703) 3.298 2.010 ( -3.222 0.000 0.703) 3.298 2.075 ( 2.054 0.000 -2.647) 3.351 2.075 ( 2.054 0.000 2.647) 3.351 2.153 ( 2.432 0.000 -1.297) 2.756 2.153 ( 2.432 0.000 1.297) 2.756 2.214 ( 0.932 0.000 -2.599) 2.761 2.214 ( 0.932 0.000 2.599) 2.761 2.436 ( -1.089 0.000 -1.781) 2.087 2.436 ( -1.089 0.000 1.781) 2.087 2.482 ( 2.029 0.000 -0.351) 2.059 2.482 ( 2.029 0.000 0.351) 2.059 2.563 ( 1.566 0.000 -1.700) 2.312 2.563 ( 1.566 0.000 1.700) 2.312 2.610 ( 0.635 0.000 -3.318) 3.378 2.610 ( 0.635 0.000 3.318) 3.378 2.852 ( 1.674 0.000 -2.629) 3.117 2.852 ( 1.674 0.000 2.629) 3.117 2.901 ( -5.381 0.000 -3.566) 6.456 2.901 ( -5.381 0.000 3.566) 6.456 3.050 ( 1.296 0.000 -1.444) 1.940 3.050 ( 1.296 0.000 1.444) 1.940 3.088 ( -0.946 0.000 -3.197) 3.334 3.088 ( -0.946 0.000 3.197) 3.334 3.175 ( 0.879 0.000 -1.332) 1.596 3.175 ( 0.879 0.000 1.332) 1.596 3.225 ( 0.788 0.000 -1.934) 2.089 3.225 ( 0.788 0.000 1.934) 2.089 3.443 ( -3.309 0.000 -5.470) 6.393 3.443 ( -3.309 0.000 5.470) 6.393 4.392 ( 0.352 0.000 -1.017) 1.076 4.392 ( 0.352 0.000 1.017) 1.076 4.467 ( -0.476 0.000 -0.208) 0.519 4.467 ( -0.476 0.000 0.208) 0.519 4.801 ( -0.169 0.000 -0.730) 0.750 4.801 ( -0.169 0.000 0.730) 0.750 4.866 ( 0.465 0.000 -0.454) 0.650 4.866 ( 0.465 0.000 0.454) 0.650 5.738 ( 0.074 0.000 -0.257) 0.268 5.738 ( 0.074 0.000 0.257) 0.268 5.848 ( -1.506 0.000 -0.929) 1.769 5.848 ( -1.506 0.000 0.929) 1.769 5.988 ( 0.186 0.000 -0.770) 0.793 5.988 ( 0.186 0.000 0.770) 0.793 6.036 ( -0.201 0.000 -0.446) 0.489 6.036 ( -0.201 0.000 0.446) 0.489 6.223 ( -0.776 0.000 -0.813) 1.124 6.223 ( -0.776 0.000 0.813) 1.124 6.262 ( 0.691 0.000 -0.383) 0.790 6.262 ( 0.691 0.000 0.383) 0.790 8.258 ( 0.924 0.000 -2.509) 2.674 8.258 ( 0.924 0.000 2.509) 2.674 8.371 ( -0.807 0.000 -0.523) 0.961 8.371 ( -0.807 0.000 0.523) 0.961 ======================= Grid point 102 (35/48) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 7.737 0.000 -9.997) 12.641 0.929 ( 7.737 0.000 9.997) 12.641 0.957 ( 8.997 0.000 -9.267) 12.916 0.957 ( 8.997 0.000 9.267) 12.916 1.400 ( -10.646 0.000 -1.556) 10.759 1.400 ( -10.646 0.000 1.556) 10.759 1.424 ( -7.138 0.000 -3.425) 7.918 1.424 ( -7.138 0.000 3.425) 7.918 1.620 ( -2.191 0.000 -0.304) 2.212 1.620 ( -2.191 0.000 0.304) 2.212 1.666 ( 7.362 0.000 -15.278) 16.959 1.666 ( 7.362 0.000 15.278) 16.959 1.806 ( 0.476 0.000 -2.110) 2.163 1.806 ( 0.476 0.000 2.110) 2.163 1.832 ( 0.511 0.000 -0.229) 0.560 1.832 ( 0.511 0.000 0.229) 0.560 1.952 ( 1.039 0.000 -0.431) 1.125 1.952 ( 1.039 0.000 0.431) 1.125 1.976 ( 0.288 0.000 -1.647) 1.672 1.976 ( 0.288 0.000 1.647) 1.672 2.110 ( 1.413 0.000 -1.968) 2.423 2.110 ( 1.413 0.000 1.968) 2.423 2.160 ( -3.300 0.000 -1.282) 3.541 2.160 ( -3.300 0.000 1.282) 3.541 2.258 ( 5.362 0.000 -2.853) 6.073 2.258 ( 5.362 0.000 2.853) 6.073 2.435 ( 0.293 0.000 -1.042) 1.083 2.435 ( 0.293 0.000 1.042) 1.083 2.525 ( 2.234 0.000 -0.426) 2.274 2.525 ( 2.234 0.000 0.426) 2.274 2.586 ( 0.867 0.000 -1.436) 1.677 2.586 ( 0.867 0.000 1.436) 1.677 2.622 ( 0.444 0.000 -2.586) 2.624 2.622 ( 0.444 0.000 2.586) 2.624 2.745 ( -7.549 0.000 -4.866) 8.981 2.745 ( -7.549 0.000 4.866) 8.981 2.923 ( 2.477 0.000 -1.903) 3.124 2.923 ( 2.477 0.000 1.903) 3.124 3.065 ( 0.273 0.000 -1.335) 1.363 3.065 ( 0.273 0.000 1.335) 1.363 3.071 ( -0.791 0.000 -2.041) 2.189 3.071 ( -0.791 0.000 2.041) 2.189 3.191 ( 0.687 0.000 -0.604) 0.914 3.191 ( 0.687 0.000 0.604) 0.914 3.241 ( 1.251 0.000 -1.377) 1.860 3.241 ( 1.251 0.000 1.377) 1.860 3.372 ( -4.073 0.000 -2.327) 4.691 3.372 ( -4.073 0.000 2.327) 4.691 4.403 ( 0.774 0.000 -0.673) 1.026 4.403 ( 0.774 0.000 0.673) 1.026 4.452 ( -1.093 0.000 -0.238) 1.119 4.452 ( -1.093 0.000 0.238) 1.119 4.798 ( -0.143 0.000 -0.531) 0.550 4.798 ( -0.143 0.000 0.531) 0.550 4.876 ( 0.445 0.000 -0.376) 0.583 4.876 ( 0.445 0.000 0.376) 0.583 5.746 ( 0.852 0.000 -0.227) 0.881 5.746 ( 0.852 0.000 0.227) 0.881 5.813 ( -2.080 0.000 -0.739) 2.207 5.813 ( -2.080 0.000 0.739) 2.207 5.992 ( 0.228 0.000 -0.427) 0.484 5.992 ( 0.228 0.000 0.427) 0.484 6.031 ( -0.244 0.000 -0.248) 0.348 6.031 ( -0.244 0.000 0.248) 0.348 6.209 ( -0.584 0.000 -0.435) 0.728 6.209 ( -0.584 0.000 0.435) 0.728 6.275 ( 0.582 0.000 -0.174) 0.607 6.275 ( 0.582 0.000 0.174) 0.607 8.281 ( 1.447 0.000 -1.621) 2.173 8.281 ( 1.447 0.000 1.621) 2.173 8.351 ( -1.308 0.000 -0.513) 1.405 8.351 ( -1.308 0.000 0.513) 1.405 ======================= Grid point 104 (36/48) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -0.000 0.000 0.000) 0.000 1.056 ( 0.000 0.000 0.000) 0.000 1.067 ( -0.000 0.000 0.000) 0.000 1.067 ( 0.000 0.000 0.000) 0.000 1.247 ( -0.000 0.000 0.000) 0.000 1.247 ( -0.000 0.000 0.000) 0.000 1.333 ( 0.000 0.000 0.000) 0.000 1.333 ( 0.000 0.000 0.000) 0.000 1.598 ( 0.000 0.000 0.000) 0.000 1.598 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 -0.000) 0.000 1.745 ( 0.000 0.000 -0.000) 0.000 1.801 ( 0.000 0.000 -0.000) 0.000 1.801 ( -0.000 0.000 0.000) 0.000 1.837 ( -0.000 0.000 -0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 -0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.106 ( -0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.123 ( -0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 -0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 -0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.595 ( -0.000 0.000 0.000) 0.000 2.625 ( -0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.063 ( -0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.415 ( -0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 5.762 ( -0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.785 ( -0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 0.000 0.000) 0.000 6.029 ( -0.000 0.000 0.000) 0.000 6.029 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 8.301 ( -0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 112 (37/48) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.000 5.495 -13.015) 14.127 0.894 ( 0.000 5.495 13.015) 14.127 0.930 ( 0.000 13.499 -10.553) 17.134 0.930 ( 0.000 13.499 10.553) 17.134 1.472 ( 0.000 6.397 -20.112) 21.105 1.472 ( 0.000 6.397 20.112) 21.105 1.624 ( 0.000 -1.242 -5.195) 5.342 1.624 ( 0.000 -1.242 5.195) 5.342 1.674 ( 0.000 -0.953 -3.566) 3.691 1.674 ( 0.000 -0.953 3.566) 3.691 1.709 ( 0.000 3.577 -3.062) 4.708 1.709 ( 0.000 3.577 3.062) 4.708 1.759 ( 0.000 4.756 -3.825) 6.104 1.759 ( 0.000 4.756 3.825) 6.104 1.877 ( 0.000 3.274 -0.071) 3.275 1.877 ( 0.000 3.274 0.071) 3.275 1.919 ( 0.000 0.434 -2.482) 2.520 1.919 ( 0.000 0.434 2.482) 2.520 2.064 ( 0.000 2.000 -0.509) 2.064 2.064 ( 0.000 2.000 0.509) 2.064 2.085 ( 0.000 3.296 -0.152) 3.299 2.085 ( 0.000 3.296 0.152) 3.299 2.181 ( 0.000 2.934 -1.408) 3.254 2.181 ( 0.000 2.934 1.408) 3.254 2.212 ( 0.000 3.090 -1.523) 3.445 2.212 ( 0.000 3.090 1.523) 3.445 2.365 ( 0.000 -5.571 -1.308) 5.722 2.365 ( 0.000 -5.571 1.308) 5.722 2.463 ( 0.000 -0.571 -1.538) 1.640 2.463 ( 0.000 -0.571 1.538) 1.640 2.522 ( 0.000 -2.666 -1.691) 3.156 2.522 ( 0.000 -2.666 1.691) 3.156 2.611 ( 0.000 0.328 -1.542) 1.576 2.611 ( 0.000 0.328 1.542) 1.576 2.844 ( 0.000 -0.218 -0.801) 0.830 2.844 ( 0.000 -0.218 0.801) 0.830 2.917 ( 0.000 -3.133 -1.694) 3.561 2.917 ( 0.000 -3.133 1.694) 3.561 3.017 ( 0.000 0.570 -2.136) 2.211 3.017 ( 0.000 0.570 2.136) 2.211 3.098 ( 0.000 -2.054 -0.122) 2.058 3.098 ( 0.000 -2.054 0.122) 2.058 3.161 ( 0.000 -2.886 -4.573) 5.408 3.161 ( 0.000 -2.886 4.573) 5.408 3.220 ( 0.000 2.549 -3.116) 4.026 3.220 ( 0.000 2.549 3.116) 4.026 3.429 ( 0.000 -4.111 -6.343) 7.558 3.429 ( 0.000 -4.111 6.343) 7.558 4.390 ( 0.000 0.059 -0.964) 0.966 4.390 ( 0.000 0.059 0.964) 0.966 4.465 ( 0.000 -0.448 -0.159) 0.476 4.465 ( 0.000 -0.448 0.159) 0.476 4.802 ( 0.000 -0.006 -0.711) 0.711 4.802 ( 0.000 -0.006 0.711) 0.711 4.861 ( 0.000 -0.101 -0.260) 0.279 4.861 ( 0.000 -0.101 0.260) 0.279 5.733 ( 0.000 -0.390 -0.292) 0.487 5.733 ( 0.000 -0.390 0.292) 0.487 5.856 ( 0.000 -0.569 -0.891) 1.057 5.856 ( 0.000 -0.569 0.891) 1.057 5.993 ( 0.000 0.583 -0.838) 1.021 5.993 ( 0.000 0.583 0.838) 1.021 6.044 ( 0.000 0.401 -0.359) 0.538 6.044 ( 0.000 0.401 0.359) 0.538 6.230 ( 0.000 -0.114 -1.055) 1.061 6.230 ( 0.000 -0.114 1.055) 1.061 6.250 ( 0.000 -0.370 -0.422) 0.561 6.250 ( 0.000 -0.370 0.422) 0.561 8.252 ( 0.000 0.300 -2.575) 2.592 8.252 ( 0.000 0.300 2.575) 2.592 8.367 ( 0.000 -1.046 -0.532) 1.174 8.367 ( 0.000 -1.046 0.532) 1.174 ======================= Grid point 114 (38/48) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.398 5.556 -13.888) 14.964 0.887 ( 0.398 5.556 13.888) 14.964 0.992 ( 6.275 12.672 -10.904) 17.856 0.992 ( 6.275 12.672 10.904) 17.856 1.484 ( -2.962 -0.101 -8.547) 9.046 1.484 ( -2.962 -0.101 8.547) 9.046 1.578 ( -0.769 3.235 -7.760) 8.443 1.578 ( -0.769 3.235 7.760) 8.443 1.651 ( -3.056 4.369 -3.734) 6.509 1.651 ( -3.056 4.369 3.734) 6.509 1.703 ( 0.822 1.293 -2.154) 2.643 1.703 ( 0.822 1.293 2.154) 2.643 1.785 ( 1.399 2.577 -0.581) 2.989 1.785 ( 1.399 2.577 0.581) 2.989 1.864 ( -1.188 2.228 -0.531) 2.580 1.864 ( -1.188 2.228 0.531) 2.580 1.925 ( 0.315 1.100 -1.855) 2.180 1.925 ( 0.315 1.100 1.855) 2.180 2.035 ( -1.895 1.824 -1.147) 2.870 2.035 ( -1.895 1.824 1.147) 2.870 2.094 ( 0.736 2.964 -1.237) 3.295 2.094 ( 0.736 2.964 1.237) 3.295 2.200 ( 1.621 3.103 -0.503) 3.536 2.200 ( 1.621 3.103 0.503) 3.536 2.234 ( 1.904 2.274 -2.042) 3.601 2.234 ( 1.904 2.274 2.042) 3.601 2.408 ( 3.507 -4.057 -1.083) 5.471 2.408 ( 3.507 -4.057 1.083) 5.471 2.449 ( -0.746 -0.324 -2.021) 2.178 2.449 ( -0.746 -0.324 2.021) 2.178 2.532 ( 1.407 -3.296 -2.086) 4.147 2.532 ( 1.407 -3.296 2.086) 4.147 2.604 ( -0.520 -0.010 -0.715) 0.884 2.604 ( -0.520 -0.010 0.715) 0.884 2.838 ( -1.521 -2.057 -2.640) 3.676 2.838 ( -1.521 -2.057 2.640) 3.676 2.932 ( 0.648 1.837 -2.385) 3.079 2.932 ( 0.648 1.837 2.385) 3.079 2.998 ( -1.092 -1.456 -2.048) 2.740 2.998 ( -1.092 -1.456 2.048) 2.740 3.090 ( -0.914 -2.883 -4.497) 5.420 3.090 ( -0.914 -2.883 4.497) 5.420 3.138 ( -0.737 -2.291 -1.149) 2.667 3.138 ( -0.737 -2.291 1.149) 2.667 3.255 ( 2.205 1.933 -2.992) 4.190 3.255 ( 2.205 1.933 2.992) 4.190 3.399 ( -2.876 -3.692 -4.674) 6.614 3.399 ( -2.876 -3.692 4.674) 6.614 4.395 ( 0.554 0.247 -0.911) 1.094 4.395 ( 0.554 0.247 0.911) 1.094 4.463 ( -0.281 -0.294 -0.254) 0.480 4.463 ( -0.281 -0.294 0.254) 0.480 4.802 ( -0.002 0.133 -0.728) 0.740 4.802 ( -0.002 0.133 0.728) 0.740 4.865 ( 0.401 -0.147 -0.339) 0.545 4.865 ( 0.401 -0.147 0.339) 0.545 5.735 ( 0.305 -0.191 -0.352) 0.503 5.735 ( 0.305 -0.191 0.352) 0.503 5.843 ( -1.293 -0.397 -0.864) 1.605 5.843 ( -1.293 -0.397 0.864) 1.605 5.995 ( 0.209 0.604 -0.708) 0.954 5.995 ( 0.209 0.604 0.708) 0.954 6.041 ( -0.258 0.375 -0.335) 0.566 6.041 ( -0.258 0.375 0.335) 0.566 6.223 ( -0.617 0.024 -0.819) 1.026 6.223 ( -0.617 0.024 0.819) 1.026 6.258 ( 0.703 -0.352 -0.372) 0.870 6.258 ( 0.703 -0.352 0.372) 0.870 8.260 ( 0.819 0.213 -2.244) 2.398 8.260 ( 0.819 0.213 2.244) 2.398 8.361 ( -0.704 -0.958 -0.491) 1.287 8.361 ( -0.704 -0.958 0.491) 1.287 ======================= Grid point 116 (39/48) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 5.799 3.526 -10.015) 12.098 0.942 ( 5.799 3.526 10.015) 12.098 1.136 ( 8.124 11.725 -6.989) 15.885 1.136 ( 8.124 11.725 6.989) 15.885 1.350 ( -8.569 -1.423 -2.809) 9.129 1.350 ( -8.569 -1.423 2.809) 9.129 1.514 ( -6.680 5.441 -4.109) 9.545 1.514 ( -6.680 5.441 4.109) 9.545 1.655 ( 0.386 3.031 -1.180) 3.275 1.655 ( 0.386 3.031 1.180) 3.275 1.727 ( 2.888 2.173 -8.746) 9.464 1.727 ( 2.888 2.173 8.746) 9.464 1.804 ( 0.117 2.478 -2.069) 3.230 1.804 ( 0.117 2.478 2.069) 3.230 1.850 ( 0.446 0.067 -1.416) 1.486 1.850 ( 0.446 0.067 1.416) 1.486 1.929 ( 0.381 0.648 -0.313) 0.814 1.929 ( 0.381 0.648 0.313) 0.814 2.006 ( -1.281 0.956 -1.212) 2.006 2.006 ( -1.281 0.956 1.212) 2.006 2.122 ( 1.780 2.646 -1.898) 3.711 2.122 ( 1.780 2.646 1.898) 3.711 2.188 ( -2.146 2.580 -1.046) 3.515 2.188 ( -2.146 2.580 1.046) 3.515 2.299 ( 4.276 2.597 -1.921) 5.359 2.299 ( 4.276 2.597 1.921) 5.359 2.422 ( -0.822 -1.281 -0.648) 1.654 2.422 ( -0.822 -1.281 0.648) 1.654 2.487 ( 2.431 -2.964 -0.666) 3.891 2.487 ( 2.431 -2.964 0.666) 3.891 2.569 ( 2.427 -2.443 -2.828) 4.456 2.569 ( 2.427 -2.443 2.828) 4.456 2.608 ( 1.373 0.939 -0.401) 1.711 2.608 ( 1.373 0.939 0.401) 1.711 2.777 ( -4.874 1.786 -4.404) 6.807 2.777 ( -4.874 1.786 4.404) 6.807 2.924 ( -0.181 -0.256 -2.149) 2.172 2.924 ( -0.181 -0.256 2.149) 2.172 2.996 ( -0.214 -3.302 -0.590) 3.361 2.996 ( -0.214 -3.302 0.590) 3.361 3.070 ( -0.814 -3.178 -3.791) 5.013 3.070 ( -0.814 -3.178 3.791) 5.013 3.138 ( 0.115 -2.559 -1.527) 2.983 3.138 ( 0.115 -2.559 1.527) 2.983 3.284 ( 1.005 1.812 -1.725) 2.696 3.284 ( 1.005 1.812 1.725) 2.696 3.344 ( -2.518 -2.167 -1.686) 3.726 3.344 ( -2.518 -2.167 1.686) 3.726 4.409 ( 0.933 0.575 -0.639) 1.269 4.409 ( 0.933 0.575 0.639) 1.269 4.453 ( -0.821 0.122 -0.277) 0.874 4.453 ( -0.821 0.122 0.277) 0.874 4.803 ( 0.020 0.416 -0.538) 0.680 4.803 ( 0.020 0.416 0.538) 0.680 4.873 ( 0.378 -0.248 -0.320) 0.554 4.873 ( 0.378 -0.248 0.320) 0.554 5.746 ( 1.008 0.107 -0.225) 1.039 5.746 ( 1.008 0.107 0.225) 1.039 5.812 ( -1.904 -0.079 -0.701) 2.031 5.812 ( -1.904 -0.079 0.701) 2.031 6.000 ( 0.257 0.650 -0.391) 0.801 6.000 ( 0.257 0.650 0.391) 0.801 6.036 ( -0.266 0.351 -0.210) 0.488 6.036 ( -0.266 0.351 0.210) 0.488 6.212 ( -0.443 0.297 -0.440) 0.692 6.212 ( -0.443 0.297 0.440) 0.692 6.271 ( 0.586 -0.351 -0.196) 0.710 6.271 ( 0.586 -0.351 0.196) 0.710 8.280 ( 1.279 -0.019 -1.443) 1.928 8.280 ( 1.279 -0.019 1.443) 1.928 8.343 ( -1.146 -0.734 -0.460) 1.437 8.343 ( -1.146 -0.734 0.460) 1.437 ======================= Grid point 118 (40/48) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.000 0.651 -0.000) 0.651 1.050 ( 0.000 0.651 0.000) 0.651 1.162 ( -0.000 5.134 0.000) 5.134 1.162 ( -0.000 5.134 0.000) 5.134 1.325 ( -0.000 9.221 -0.000) 9.221 1.325 ( -0.000 9.221 0.000) 9.221 1.393 ( 0.000 3.630 -0.000) 3.630 1.393 ( 0.000 3.630 0.000) 3.630 1.653 ( 0.000 4.377 0.000) 4.377 1.653 ( -0.000 4.377 0.000) 4.377 1.769 ( -0.000 -2.739 -0.000) 2.739 1.769 ( 0.000 -2.739 -0.000) 2.739 1.791 ( 0.000 3.289 0.000) 3.289 1.791 ( 0.000 3.289 0.000) 3.289 1.865 ( -0.000 2.339 -0.000) 2.339 1.865 ( 0.000 2.339 -0.000) 2.339 1.943 ( -0.000 -0.886 -0.000) 0.886 1.943 ( -0.000 -0.886 0.000) 0.886 1.985 ( 0.000 -0.691 -0.000) 0.691 1.985 ( 0.000 -0.691 0.000) 0.691 2.144 ( 0.000 3.164 -0.000) 3.164 2.144 ( 0.000 3.164 0.000) 3.164 2.158 ( -0.000 3.870 -0.000) 3.870 2.158 ( -0.000 3.870 0.000) 3.870 2.359 ( 0.000 1.486 -0.000) 1.486 2.359 ( 0.000 1.486 0.000) 1.486 2.398 ( -0.000 -2.716 0.000) 2.716 2.398 ( -0.000 -2.716 0.000) 2.716 2.505 ( -0.000 -2.550 -0.000) 2.550 2.505 ( 0.000 -2.550 0.000) 2.550 2.595 ( 0.000 -1.330 0.000) 1.330 2.595 ( 0.000 -1.330 0.000) 1.330 2.657 ( -0.000 4.540 -0.000) 4.540 2.657 ( -0.000 4.540 0.000) 4.540 2.693 ( 0.000 1.707 -0.000) 1.707 2.693 ( 0.000 1.707 0.000) 1.707 2.934 ( -0.000 -1.622 0.000) 1.622 2.934 ( 0.000 -1.622 0.000) 1.622 2.982 ( -0.000 -5.244 0.000) 5.244 2.982 ( 0.000 -5.244 0.000) 5.244 3.066 ( 0.000 -1.985 -0.000) 1.985 3.066 ( 0.000 -1.985 0.000) 1.985 3.136 ( 0.000 -3.543 0.000) 3.543 3.136 ( 0.000 -3.543 0.000) 3.543 3.296 ( -0.000 0.916 -0.000) 0.916 3.296 ( -0.000 0.916 0.000) 0.916 3.317 ( 0.000 -0.137 0.000) 0.137 3.317 ( 0.000 -0.137 0.000) 0.137 4.423 ( -0.000 0.722 0.000) 0.722 4.423 ( -0.000 0.722 0.000) 0.722 4.440 ( 0.000 0.362 0.000) 0.362 4.440 ( 0.000 0.362 0.000) 0.362 4.803 ( -0.000 0.558 -0.000) 0.558 4.803 ( -0.000 0.558 0.000) 0.558 4.877 ( 0.000 -0.301 0.000) 0.301 4.877 ( 0.000 -0.301 0.000) 0.301 5.765 ( 0.000 0.273 0.000) 0.273 5.765 ( 0.000 0.273 0.000) 0.273 5.785 ( -0.000 0.021 0.000) 0.021 5.785 ( 0.000 0.021 0.000) 0.021 6.003 ( 0.000 0.678 0.000) 0.678 6.003 ( 0.000 0.678 0.000) 0.678 6.033 ( -0.000 0.347 -0.000) 0.347 6.033 ( -0.000 0.347 0.000) 0.347 6.208 ( 0.000 0.420 0.000) 0.420 6.208 ( 0.000 0.420 0.000) 0.420 6.277 ( 0.000 -0.348 0.000) 0.348 6.277 ( 0.000 -0.348 0.000) 0.348 8.298 ( 0.000 -0.230 -0.000) 0.230 8.298 ( 0.000 -0.230 0.000) 0.230 8.327 ( -0.000 -0.530 -0.000) 0.530 8.327 ( -0.000 -0.530 0.000) 0.530 ======================= Grid point 126 (41/48) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.000 6.884 -9.160) 11.458 1.029 ( 0.000 6.884 9.160) 11.458 1.176 ( 0.000 8.797 -11.110) 14.171 1.176 ( 0.000 8.797 11.110) 14.171 1.557 ( 0.000 -3.599 -2.921) 4.635 1.557 ( 0.000 -3.599 2.921) 4.635 1.632 ( 0.000 0.612 -3.905) 3.953 1.632 ( 0.000 0.612 3.905) 3.953 1.695 ( 0.000 5.098 -1.043) 5.204 1.695 ( 0.000 5.098 1.043) 5.204 1.772 ( 0.000 1.765 -2.171) 2.798 1.772 ( 0.000 1.765 2.171) 2.798 1.866 ( 0.000 -0.795 -1.453) 1.656 1.866 ( 0.000 -0.795 1.453) 1.656 1.894 ( 0.000 7.618 -10.264) 12.783 1.894 ( 0.000 7.618 10.264) 12.783 1.994 ( 0.000 6.079 -1.559) 6.276 1.994 ( 0.000 6.079 1.559) 6.276 2.148 ( 0.000 3.950 -1.431) 4.201 2.148 ( 0.000 3.950 1.431) 4.201 2.177 ( 0.000 2.516 -0.715) 2.616 2.177 ( 0.000 2.516 0.715) 2.616 2.249 ( 0.000 3.444 -0.598) 3.496 2.249 ( 0.000 3.444 0.598) 3.496 2.286 ( 0.000 4.640 -0.916) 4.729 2.286 ( 0.000 4.640 0.916) 4.729 2.321 ( 0.000 2.852 -1.296) 3.133 2.321 ( 0.000 2.852 1.296) 3.133 2.428 ( 0.000 -2.529 -1.301) 2.844 2.428 ( 0.000 -2.529 1.301) 2.844 2.479 ( 0.000 -0.096 -0.257) 0.274 2.479 ( 0.000 -0.096 0.257) 0.274 2.598 ( 0.000 -1.296 -1.972) 2.359 2.598 ( 0.000 -1.296 1.972) 2.359 2.747 ( 0.000 -5.990 -2.348) 6.433 2.747 ( 0.000 -5.990 2.348) 6.433 2.903 ( 0.000 -2.299 -1.831) 2.939 2.903 ( 0.000 -2.299 1.831) 2.939 3.002 ( 0.000 -0.658 -3.346) 3.410 3.002 ( 0.000 -0.658 3.346) 3.410 3.043 ( 0.000 -6.073 -2.688) 6.641 3.043 ( 0.000 -6.073 2.688) 6.641 3.107 ( 0.000 1.200 -3.011) 3.242 3.107 ( 0.000 1.200 3.011) 3.242 3.250 ( 0.000 -0.390 -1.915) 1.954 3.250 ( 0.000 -0.390 1.915) 1.954 3.329 ( 0.000 -4.564 -4.026) 6.086 3.329 ( 0.000 -4.564 4.026) 6.086 4.391 ( 0.000 0.046 -0.621) 0.623 4.391 ( 0.000 0.046 0.621) 0.623 4.455 ( 0.000 -0.454 -0.211) 0.501 4.455 ( 0.000 -0.454 0.211) 0.501 4.805 ( 0.000 0.250 -0.665) 0.710 4.805 ( 0.000 0.250 0.665) 0.710 4.856 ( 0.000 -0.404 -0.036) 0.406 4.856 ( 0.000 -0.404 0.036) 0.406 5.727 ( 0.000 -0.064 -0.445) 0.450 5.727 ( 0.000 -0.064 0.445) 0.450 5.844 ( 0.000 -0.457 -0.711) 0.846 5.844 ( 0.000 -0.457 0.711) 0.846 6.008 ( 0.000 0.753 -0.614) 0.972 6.008 ( 0.000 0.753 0.614) 0.972 6.049 ( 0.000 0.069 -0.192) 0.204 6.049 ( 0.000 0.069 0.192) 0.204 6.227 ( 0.000 -0.141 -0.927) 0.937 6.227 ( 0.000 -0.141 0.927) 0.937 6.241 ( 0.000 -0.450 -0.112) 0.464 6.241 ( 0.000 -0.450 0.112) 0.464 8.261 ( 0.000 0.485 -1.756) 1.821 8.261 ( 0.000 0.485 1.756) 1.821 8.340 ( 0.000 -1.411 -0.422) 1.473 8.340 ( 0.000 -1.411 0.422) 1.473 ======================= Grid point 128 (42/48) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.634 7.589 -8.663) 11.534 1.033 ( 0.634 7.589 8.663) 11.534 1.217 ( 4.233 7.516 -10.725) 13.763 1.217 ( 4.233 7.516 10.725) 13.763 1.483 ( -5.958 -0.048 -1.450) 6.133 1.483 ( -5.958 -0.048 1.450) 6.133 1.636 ( -0.741 -2.850 -1.282) 3.211 1.636 ( -0.741 -2.850 1.282) 3.211 1.704 ( -0.270 0.715 -1.908) 2.055 1.704 ( -0.270 0.715 1.908) 2.055 1.749 ( -0.903 5.042 -2.869) 5.871 1.749 ( -0.903 5.042 2.869) 5.871 1.850 ( -1.202 0.220 -3.212) 3.436 1.850 ( -1.202 0.220 3.212) 3.436 1.915 ( 1.059 6.544 -6.748) 9.459 1.915 ( 1.059 6.544 6.748) 9.459 2.010 ( 0.763 6.910 -3.148) 7.631 2.010 ( 0.763 6.910 3.148) 7.631 2.092 ( -3.385 2.964 -0.608) 4.541 2.092 ( -3.385 2.964 0.608) 4.541 2.213 ( 1.974 4.863 -1.926) 5.591 2.213 ( 1.974 4.863 1.926) 5.591 2.241 ( -0.851 1.867 -2.452) 3.198 2.241 ( -0.851 1.867 2.452) 3.198 2.298 ( 1.951 3.175 -0.231) 3.734 2.298 ( 1.951 3.175 0.231) 3.734 2.352 ( 2.414 0.320 -1.187) 2.709 2.352 ( 2.414 0.320 1.187) 2.709 2.441 ( -0.293 -1.726 -0.694) 1.883 2.441 ( -0.293 -1.726 0.694) 1.883 2.477 ( 1.653 0.484 -2.982) 3.443 2.477 ( 1.653 0.484 2.982) 3.443 2.601 ( 0.797 0.018 -1.361) 1.577 2.601 ( 0.797 0.018 1.361) 1.577 2.766 ( 1.558 -4.587 -2.097) 5.279 2.766 ( 1.558 -4.587 2.097) 5.279 2.918 ( 0.715 -3.343 -1.342) 3.672 2.918 ( 0.715 -3.343 1.342) 3.672 2.994 ( -1.043 -0.421 -2.993) 3.198 2.994 ( -1.043 -0.421 2.993) 3.198 3.014 ( -3.011 -4.403 -2.984) 6.112 3.014 ( -3.011 -4.403 2.984) 6.112 3.090 ( -0.657 0.006 -1.060) 1.247 3.090 ( -0.657 0.006 1.060) 1.247 3.270 ( 1.358 -1.234 -2.140) 2.819 3.270 ( 1.358 -1.234 2.140) 2.819 3.314 ( -1.394 -3.706 -3.091) 5.023 3.314 ( -1.394 -3.706 3.091) 5.023 4.401 ( 1.015 0.285 -0.613) 1.220 4.401 ( 1.015 0.285 0.613) 1.220 4.457 ( 0.168 -0.241 -0.263) 0.394 4.457 ( 0.168 -0.241 0.263) 0.394 4.808 ( 0.315 0.395 -0.665) 0.836 4.808 ( 0.315 0.395 0.665) 0.836 4.859 ( 0.313 -0.440 -0.105) 0.550 4.859 ( 0.313 -0.440 0.105) 0.550 5.733 ( 0.648 0.073 -0.391) 0.761 5.733 ( 0.648 0.073 0.391) 0.761 5.835 ( -0.933 -0.299 -0.690) 1.198 5.835 ( -0.933 -0.299 0.690) 1.198 6.011 ( 0.264 0.781 -0.520) 0.975 6.011 ( 0.264 0.781 0.520) 0.975 6.047 ( -0.217 0.121 -0.192) 0.314 6.047 ( -0.217 0.121 0.192) 0.314 6.224 ( -0.223 0.104 -0.808) 0.844 6.224 ( -0.223 0.104 0.808) 0.844 6.248 ( 0.662 -0.525 -0.444) 0.955 6.248 ( 0.662 -0.525 0.444) 0.955 8.266 ( 0.574 0.366 -1.525) 1.670 8.266 ( 0.574 0.366 1.525) 1.670 8.335 ( -0.462 -1.291 -0.373) 1.422 8.335 ( -0.462 -1.291 0.373) 1.422 ======================= Grid point 130 (43/48) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 2.708 7.106 -6.425) 9.955 1.062 ( 2.708 7.106 6.425) 9.955 1.300 ( 1.147 2.422 -6.424) 6.960 1.300 ( 1.147 2.422 6.424) 6.960 1.383 ( -1.320 4.777 -5.014) 7.050 1.383 ( -1.320 4.777 5.014) 7.050 1.600 ( -3.580 -0.973 -4.111) 5.538 1.600 ( -3.580 -0.973 4.111) 5.538 1.694 ( 0.131 -2.765 -1.004) 2.944 1.694 ( 0.131 -2.765 1.004) 2.944 1.747 ( 0.362 5.825 -0.277) 5.843 1.747 ( 0.362 5.825 0.277) 5.843 1.817 ( -2.584 -1.641 -2.254) 3.802 1.817 ( -2.584 -1.641 2.254) 3.802 1.933 ( 1.338 6.819 -5.415) 8.810 1.933 ( 1.338 6.819 5.415) 8.810 2.001 ( -1.574 5.060 -2.619) 5.911 2.001 ( -1.574 5.060 2.619) 5.911 2.042 ( -1.888 3.971 -0.283) 4.406 2.042 ( -1.888 3.971 0.283) 4.406 2.225 ( -0.460 2.154 -3.041) 3.755 2.225 ( -0.460 2.154 3.041) 3.755 2.254 ( 1.697 5.364 -2.224) 6.049 2.254 ( 1.697 5.364 2.224) 6.049 2.334 ( 1.779 0.948 -1.604) 2.576 2.334 ( 1.779 0.948 1.604) 2.576 2.389 ( 0.136 -1.009 -2.604) 2.796 2.389 ( 0.136 -1.009 2.604) 2.796 2.435 ( 1.070 -0.985 -0.910) 1.716 2.435 ( 1.070 -0.985 0.910) 1.716 2.531 ( 3.369 -1.045 -3.988) 5.324 2.531 ( 3.369 -1.045 3.988) 5.324 2.645 ( 3.969 2.521 -0.931) 4.793 2.645 ( 3.969 2.521 0.931) 4.793 2.792 ( 1.041 -1.396 -1.532) 2.320 2.792 ( 1.041 -1.396 1.532) 2.320 2.890 ( -4.100 -4.982 -2.511) 6.923 2.890 ( -4.100 -4.982 2.512) 6.923 2.930 ( -3.928 -0.274 -3.377) 5.188 2.930 ( -3.928 -0.274 3.377) 5.188 2.997 ( 0.381 -2.905 -1.096) 3.128 2.997 ( 0.381 -2.905 1.096) 3.128 3.091 ( 0.158 -1.236 -0.547) 1.361 3.091 ( 0.158 -1.236 0.547) 1.361 3.279 ( -0.191 -2.915 -1.733) 3.396 3.279 ( -0.191 -2.915 1.733) 3.396 3.300 ( -0.010 -1.647 -1.285) 2.089 3.300 ( -0.010 -1.647 1.285) 2.089 4.424 ( 1.298 0.704 -0.495) 1.558 4.424 ( 1.298 0.704 0.495) 1.558 4.457 ( -0.228 0.274 -0.298) 0.464 4.457 ( -0.228 0.274 0.298) 0.464 4.815 ( 0.347 0.687 -0.492) 0.914 4.815 ( 0.347 0.687 0.492) 0.914 4.865 ( 0.281 -0.506 -0.184) 0.607 4.865 ( 0.281 -0.506 0.184) 0.607 5.751 ( 1.272 0.305 -0.195) 1.323 5.751 ( 1.272 0.305 0.195) 1.323 5.812 ( -1.551 0.032 -0.544) 1.643 5.812 ( -1.551 0.032 0.544) 1.643 6.016 ( 0.309 0.825 -0.289) 0.927 6.016 ( 0.309 0.825 0.289) 0.927 6.043 ( -0.217 0.221 -0.142) 0.341 6.043 ( -0.217 0.221 0.142) 0.341 6.221 ( -0.107 0.497 -0.441) 0.673 6.221 ( -0.107 0.497 0.441) 0.673 6.261 ( 0.570 -0.595 -0.269) 0.867 6.261 ( 0.570 -0.595 0.269) 0.867 8.281 ( 0.891 0.056 -0.975) 1.322 8.281 ( 0.891 0.056 0.975) 1.322 8.323 ( -0.769 -0.988 -0.322) 1.293 8.323 ( -0.769 -0.988 0.322) 1.293 ======================= Grid point 132 (44/48) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.000 4.702 -0.000) 4.702 1.108 ( 0.000 4.702 0.000) 4.702 1.248 ( -0.000 3.914 0.000) 3.914 1.248 ( -0.000 3.914 0.000) 3.914 1.449 ( -0.000 2.092 -0.000) 2.092 1.449 ( 0.000 2.092 0.000) 2.092 1.526 ( 0.000 3.575 -0.000) 3.575 1.526 ( -0.000 3.575 0.000) 3.575 1.705 ( -0.000 -2.016 0.000) 2.016 1.705 ( 0.000 -2.016 0.000) 2.016 1.764 ( 0.000 -4.870 -0.000) 4.870 1.764 ( 0.000 -4.870 0.000) 4.870 1.771 ( -0.000 7.410 0.000) 7.410 1.771 ( -0.000 7.410 0.000) 7.410 1.956 ( -0.000 2.724 -0.000) 2.724 1.956 ( -0.000 2.724 0.000) 2.724 1.977 ( 0.000 4.968 -0.000) 4.968 1.977 ( 0.000 4.968 0.000) 4.968 2.023 ( -0.000 5.724 -0.000) 5.724 2.023 ( -0.000 5.724 0.000) 5.724 2.218 ( -0.000 0.539 -0.000) 0.539 2.218 ( 0.000 0.539 -0.000) 0.539 2.273 ( 0.000 7.284 0.000) 7.284 2.273 ( -0.000 7.284 0.000) 7.284 2.356 ( 0.000 -0.029 -0.000) 0.029 2.356 ( 0.000 -0.029 0.000) 0.029 2.374 ( -0.000 -0.219 -0.000) 0.219 2.374 ( -0.000 -0.219 0.000) 0.219 2.456 ( 0.000 -1.240 0.000) 1.240 2.456 ( 0.000 -1.240 0.000) 1.240 2.570 ( -0.000 -1.244 -0.000) 1.244 2.570 ( -0.000 -1.244 0.000) 1.244 2.720 ( -0.000 0.573 -0.000) 0.573 2.720 ( -0.000 0.573 0.000) 0.573 2.772 ( 0.000 4.526 -0.000) 4.526 2.772 ( 0.000 4.526 0.000) 4.526 2.849 ( -0.000 -5.522 -0.000) 5.522 2.849 ( 0.000 -5.522 -0.000) 5.522 2.879 ( -0.000 -2.687 0.000) 2.687 2.879 ( 0.000 -2.687 0.000) 2.687 3.004 ( 0.000 -3.240 -0.000) 3.240 3.004 ( 0.000 -3.240 0.000) 3.240 3.090 ( 0.000 -0.791 0.000) 0.791 3.090 ( 0.000 -0.791 0.000) 0.791 3.280 ( 0.000 -2.561 -0.000) 2.561 3.280 ( -0.000 -2.561 0.000) 2.561 3.299 ( -0.000 -1.910 0.000) 1.910 3.299 ( -0.000 -1.910 0.000) 1.910 4.442 ( -0.000 0.911 -0.000) 0.911 4.442 ( -0.000 0.911 0.000) 0.911 4.450 ( 0.000 0.539 -0.000) 0.539 4.450 ( 0.000 0.539 0.000) 0.539 4.818 ( -0.000 0.836 -0.000) 0.836 4.818 ( -0.000 0.836 0.000) 0.836 4.868 ( 0.000 -0.541 0.000) 0.541 4.868 ( 0.000 -0.541 0.000) 0.541 5.774 ( -0.000 0.494 0.000) 0.494 5.774 ( 0.000 0.494 0.000) 0.494 5.786 ( -0.000 0.114 0.000) 0.114 5.786 ( 0.000 0.114 0.000) 0.114 6.020 ( 0.000 0.843 0.000) 0.843 6.020 ( 0.000 0.843 0.000) 0.843 6.040 ( -0.000 0.271 0.000) 0.271 6.040 ( 0.000 0.271 0.000) 0.271 6.220 ( 0.000 0.671 0.000) 0.671 6.220 ( 0.000 0.671 0.000) 0.671 6.266 ( 0.000 -0.614 0.000) 0.614 6.266 ( 0.000 -0.614 0.000) 0.614 8.293 ( 0.000 -0.203 -0.000) 0.203 8.293 ( 0.000 -0.203 0.000) 0.203 8.313 ( -0.000 -0.734 -0.000) 0.734 8.313 ( -0.000 -0.734 0.000) 0.734 ======================= Grid point 140 (45/48) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.000 3.722 -3.098) 4.843 1.152 ( 0.000 3.722 3.098) 4.843 1.324 ( 0.000 4.744 -6.233) 7.833 1.324 ( 0.000 4.744 6.233) 7.833 1.486 ( 0.000 -2.119 -0.943) 2.320 1.486 ( 0.000 -2.119 0.943) 2.320 1.623 ( 0.000 -1.354 -3.386) 3.647 1.623 ( 0.000 -1.354 3.386) 3.647 1.686 ( 0.000 -1.399 -1.796) 2.277 1.686 ( 0.000 -1.399 1.796) 2.277 1.766 ( 0.000 -2.607 -1.177) 2.861 1.766 ( 0.000 -2.607 1.177) 2.861 1.861 ( 0.000 1.646 -0.977) 1.914 1.861 ( 0.000 1.646 0.977) 1.914 2.072 ( 0.000 1.150 -0.997) 1.522 2.072 ( 0.000 1.150 0.997) 1.522 2.124 ( 0.000 4.765 -0.414) 4.783 2.124 ( 0.000 4.765 0.414) 4.783 2.187 ( 0.000 4.172 -1.626) 4.478 2.187 ( 0.000 4.172 1.626) 4.478 2.251 ( 0.000 3.923 -2.396) 4.597 2.251 ( 0.000 3.923 2.396) 4.597 2.305 ( 0.000 -2.503 -1.068) 2.721 2.305 ( 0.000 -2.503 1.068) 2.721 2.336 ( 0.000 2.243 -0.392) 2.277 2.336 ( 0.000 2.243 0.392) 2.277 2.386 ( 0.000 1.993 -0.838) 2.162 2.386 ( 0.000 1.993 0.838) 2.162 2.477 ( 0.000 3.363 -1.705) 3.770 2.477 ( 0.000 3.363 1.705) 3.770 2.527 ( 0.000 6.831 -1.899) 7.090 2.527 ( 0.000 6.831 1.899) 7.090 2.572 ( 0.000 -0.879 -0.864) 1.233 2.572 ( 0.000 -0.879 0.864) 1.233 2.645 ( 0.000 -1.951 -0.863) 2.133 2.645 ( 0.000 -1.951 0.863) 2.133 2.790 ( 0.000 -9.942 -2.509) 10.254 2.790 ( 0.000 -9.942 2.509) 10.254 2.874 ( 0.000 -4.328 -2.841) 5.177 2.874 ( 0.000 -4.328 2.841) 5.177 3.042 ( 0.000 1.841 -2.091) 2.787 3.042 ( 0.000 1.841 2.091) 2.787 3.142 ( 0.000 1.655 -0.848) 1.860 3.142 ( 0.000 1.655 0.848) 1.860 3.207 ( 0.000 -3.033 -1.585) 3.422 3.207 ( 0.000 -3.033 1.585) 3.422 3.259 ( 0.000 -1.680 -1.578) 2.305 3.259 ( 0.000 -1.680 1.578) 2.305 4.392 ( 0.000 0.010 -0.205) 0.205 4.392 ( 0.000 0.010 0.205) 0.205 4.448 ( 0.000 -0.172 -0.104) 0.201 4.448 ( 0.000 -0.172 0.104) 0.201 4.812 ( 0.000 0.347 -0.376) 0.512 4.812 ( 0.000 0.347 0.376) 0.512 4.846 ( 0.000 -0.407 -0.168) 0.440 4.846 ( 0.000 -0.407 0.168) 0.440 5.728 ( 0.000 0.086 -0.214) 0.231 5.728 ( 0.000 0.086 0.214) 0.231 5.837 ( 0.000 -0.165 -0.304) 0.346 5.837 ( 0.000 -0.165 0.304) 0.346 6.022 ( 0.000 0.442 -0.249) 0.507 6.022 ( 0.000 0.442 0.249) 0.507 6.048 ( 0.000 -0.149 -0.042) 0.155 6.048 ( 0.000 -0.149 0.042) 0.155 6.225 ( 0.000 -0.051 -0.462) 0.465 6.225 ( 0.000 -0.051 0.462) 0.465 6.233 ( 0.000 -0.218 -0.091) 0.237 6.233 ( 0.000 -0.218 0.091) 0.237 8.271 ( 0.000 0.380 -0.635) 0.740 8.271 ( 0.000 0.380 0.635) 0.740 8.314 ( 0.000 -0.791 -0.149) 0.805 8.314 ( 0.000 -0.791 0.149) 0.805 ======================= Grid point 142 (46/48) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 1.810 4.250 -2.967) 5.490 1.171 ( 1.810 4.250 2.967) 5.490 1.334 ( 0.776 3.453 -5.966) 6.936 1.334 ( 0.776 3.453 5.966) 6.936 1.480 ( -0.535 -0.165 -2.566) 2.627 1.480 ( -0.535 -0.165 2.566) 2.627 1.581 ( -3.314 -2.307 -3.170) 5.134 1.581 ( -3.314 -2.307 3.170) 5.134 1.661 ( -2.561 -0.872 -1.346) 3.022 1.661 ( -2.561 -0.872 1.346) 3.022 1.765 ( -1.002 -3.607 -0.295) 3.755 1.765 ( -1.002 -3.607 0.295) 3.755 1.855 ( 0.200 1.973 -1.007) 2.224 1.855 ( 0.200 1.973 1.007) 2.224 2.080 ( 0.633 2.458 -1.829) 3.128 2.080 ( 0.633 2.458 1.829) 3.128 2.126 ( -0.620 3.443 -1.945) 4.003 2.126 ( -0.620 3.443 1.945) 4.003 2.169 ( -1.508 3.342 -3.274) 4.915 2.169 ( -1.508 3.342 3.274) 4.915 2.232 ( -1.064 3.015 -2.219) 3.892 2.232 ( -1.064 3.015 2.219) 3.892 2.312 ( -0.003 -2.393 -1.223) 2.687 2.312 ( -0.003 -2.393 1.223) 2.687 2.329 ( -0.639 1.016 -0.436) 1.277 2.329 ( -0.639 1.016 0.436) 1.277 2.380 ( -0.039 3.309 -1.332) 3.567 2.380 ( -0.039 3.309 1.332) 3.567 2.488 ( 1.773 4.804 -2.674) 5.777 2.488 ( 1.773 4.804 2.674) 5.777 2.519 ( -0.229 2.723 -1.741) 3.241 2.519 ( -0.229 2.723 1.741) 3.241 2.619 ( 2.449 -0.749 -0.498) 2.609 2.619 ( 2.449 -0.749 0.498) 2.609 2.672 ( 3.643 -0.361 -1.540) 3.972 2.672 ( 3.643 -0.361 1.540) 3.972 2.806 ( 0.448 -8.271 -2.935) 8.788 2.806 ( 0.448 -8.271 2.935) 8.788 2.867 ( 0.248 -3.980 -1.536) 4.273 2.867 ( 0.248 -3.980 1.536) 4.273 3.043 ( -0.137 1.912 -2.030) 2.792 3.043 ( -0.137 1.912 2.030) 2.792 3.121 ( -2.218 2.620 -1.657) 3.812 3.121 ( -2.218 2.620 1.657) 3.812 3.204 ( -0.174 -4.138 -1.972) 4.587 3.204 ( -0.174 -4.138 1.972) 4.587 3.258 ( -0.257 -1.596 -0.957) 1.879 3.258 ( -0.257 -1.596 0.957) 1.879 4.406 ( 1.390 0.116 -0.210) 1.411 4.406 ( 1.390 0.116 0.210) 1.411 4.454 ( 0.547 -0.069 -0.120) 0.564 4.454 ( 0.547 -0.069 0.120) 0.564 4.818 ( 0.576 0.448 -0.379) 0.822 4.818 ( 0.576 0.448 0.379) 0.822 4.848 ( 0.229 -0.461 -0.135) 0.532 4.848 ( 0.229 -0.461 0.135) 0.532 5.736 ( 0.820 0.126 -0.180) 0.849 5.736 ( 0.820 0.126 0.180) 0.849 5.831 ( -0.677 -0.096 -0.286) 0.741 5.831 ( -0.677 -0.096 0.286) 0.741 6.025 ( 0.314 0.469 -0.220) 0.606 6.025 ( 0.314 0.469 0.220) 0.606 6.046 ( -0.130 -0.135 -0.068) 0.199 6.046 ( -0.130 -0.135 0.068) 0.199 6.228 ( 0.253 0.211 -0.640) 0.720 6.228 ( 0.253 0.211 0.640) 0.720 6.238 ( 0.449 -0.408 -0.506) 0.790 6.238 ( 0.449 -0.408 0.506) 0.790 8.274 ( 0.348 0.311 -0.552) 0.723 8.274 ( 0.348 0.311 0.552) 0.723 8.312 ( -0.236 -0.722 -0.132) 0.771 8.312 ( -0.236 -0.722 0.132) 0.771 ======================= Grid point 144 (47/48) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 1.790 5.184 -2.154) 5.892 1.206 ( 1.790 5.184 2.154) 5.892 1.333 ( -1.342 0.736 -3.760) 4.060 1.333 ( -1.342 0.736 3.760) 4.060 1.472 ( 0.369 3.213 -4.209) 5.308 1.472 ( 0.369 3.213 4.209) 5.308 1.546 ( -0.826 -2.828 -1.035) 3.123 1.546 ( -0.826 -2.828 1.035) 3.123 1.612 ( -1.469 -2.132 -0.938) 2.754 1.612 ( -1.469 -2.132 0.938) 2.754 1.715 ( -3.885 -4.258 -1.601) 5.982 1.715 ( -3.885 -4.258 1.601) 5.982 1.889 ( 3.338 3.164 -1.588) 4.866 1.889 ( 3.338 3.164 1.588) 4.866 2.066 ( -3.990 3.002 -0.511) 5.019 2.066 ( -3.990 3.002 0.511) 5.019 2.097 ( -0.131 4.802 -1.975) 5.194 2.097 ( -0.131 4.802 1.975) 5.194 2.148 ( -1.230 1.905 -2.490) 3.367 2.148 ( -1.230 1.905 2.490) 3.367 2.220 ( -0.444 1.683 -2.393) 2.959 2.220 ( -0.444 1.683 2.393) 2.959 2.309 ( 0.242 -2.995 -1.735) 3.470 2.309 ( 0.242 -2.995 1.735) 3.470 2.336 ( 1.345 0.486 -0.893) 1.685 2.336 ( 1.345 0.486 0.893) 1.685 2.383 ( -0.011 1.453 -0.819) 1.668 2.383 ( -0.011 1.453 0.819) 1.668 2.520 ( 1.202 4.788 -1.641) 5.202 2.520 ( 1.202 4.788 1.641) 5.202 2.534 ( 2.153 3.167 -2.423) 4.531 2.534 ( 2.153 3.167 2.423) 4.531 2.653 ( 1.464 -3.838 -0.865) 4.198 2.653 ( 1.464 -3.838 0.865) 4.198 2.723 ( -1.617 -4.391 -0.656) 4.725 2.723 ( -1.617 -4.391 0.656) 4.725 2.806 ( 3.063 1.119 -0.789) 3.356 2.806 ( 3.063 1.119 0.789) 3.356 2.902 ( 2.270 -3.524 -0.937) 4.295 2.902 ( 2.270 -3.524 0.937) 4.295 3.017 ( -3.103 4.077 -1.427) 5.319 3.017 ( -3.103 4.077 1.427) 5.319 3.083 ( -1.103 -0.278 -0.699) 1.335 3.083 ( -1.103 -0.278 0.699) 1.335 3.205 ( 0.321 -2.975 -1.701) 3.442 3.205 ( 0.321 -2.975 1.701) 3.442 3.248 ( -0.705 -2.511 -0.797) 2.727 3.248 ( -0.705 -2.511 0.797) 2.727 4.435 ( 1.595 0.305 -0.190) 1.635 4.435 ( 1.595 0.305 0.190) 1.635 4.462 ( 0.238 0.163 -0.141) 0.321 4.462 ( 0.238 0.163 0.141) 0.321 4.830 ( 0.622 0.686 -0.301) 0.974 4.830 ( 0.622 0.686 0.301) 0.974 4.852 ( 0.186 -0.604 -0.107) 0.641 4.852 ( 0.186 -0.604 0.107) 0.641 5.757 ( 1.414 0.196 -0.085) 1.430 5.757 ( 1.414 0.196 0.085) 1.430 5.813 ( -1.276 0.051 -0.214) 1.295 5.813 ( -1.276 0.051 0.214) 1.295 6.032 ( 0.335 0.514 -0.140) 0.629 6.032 ( 0.335 0.514 0.140) 0.629 6.044 ( -0.120 -0.106 -0.078) 0.178 6.044 ( -0.120 -0.106 0.078) 0.178 6.233 ( 0.259 0.601 -0.412) 0.773 6.233 ( 0.259 0.601 0.412) 0.773 6.247 ( 0.458 -0.658 -0.353) 0.876 6.247 ( 0.458 -0.658 0.353) 0.876 8.283 ( 0.557 0.146 -0.362) 0.680 8.283 ( 0.557 0.146 0.362) 0.680 8.306 ( -0.442 -0.558 -0.125) 0.723 8.306 ( -0.442 -0.558 0.125) 0.723 ======================= Grid point 146 (48/48) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.000 5.836 0.000) 5.836 1.228 ( 0.000 5.836 0.000) 5.836 1.308 ( -0.000 -0.091 -0.000) 0.091 1.308 ( -0.000 -0.091 0.000) 0.091 1.499 ( -0.000 2.419 0.000) 2.419 1.499 ( 0.000 2.419 0.000) 2.419 1.512 ( -0.000 -0.408 -0.000) 0.408 1.512 ( 0.000 -0.408 -0.000) 0.408 1.637 ( -0.000 -3.466 -0.000) 3.466 1.637 ( 0.000 -3.466 0.000) 3.466 1.647 ( -0.000 -4.921 0.000) 4.921 1.647 ( 0.000 -4.921 0.000) 4.921 1.953 ( -0.000 6.220 0.000) 6.220 1.953 ( -0.000 6.220 0.000) 6.220 1.991 ( 0.000 1.123 -0.000) 1.123 1.991 ( 0.000 1.123 0.000) 1.123 2.104 ( -0.000 4.165 -0.000) 4.165 2.104 ( 0.000 4.165 0.000) 4.165 2.127 ( 0.000 1.964 -0.000) 1.964 2.127 ( -0.000 1.964 0.000) 1.964 2.216 ( -0.000 2.245 -0.000) 2.245 2.216 ( 0.000 2.245 -0.000) 2.245 2.312 ( 0.000 -4.449 -0.000) 4.449 2.312 ( 0.000 -4.449 0.000) 4.449 2.359 ( -0.000 1.248 0.000) 1.248 2.359 ( 0.000 1.248 0.000) 1.248 2.378 ( 0.000 0.409 -0.000) 0.409 2.378 ( -0.000 0.409 -0.000) 0.409 2.542 ( 0.000 7.115 0.000) 7.115 2.542 ( 0.000 7.115 0.000) 7.115 2.562 ( 0.000 1.578 0.000) 1.578 2.562 ( -0.000 1.578 0.000) 1.578 2.666 ( -0.000 -6.855 -0.000) 6.855 2.666 ( -0.000 -6.855 0.000) 6.855 2.678 ( 0.000 -4.523 -0.000) 4.523 2.678 ( -0.000 -4.523 0.000) 4.523 2.874 ( -0.000 1.872 -0.000) 1.872 2.874 ( -0.000 1.872 0.000) 1.872 2.912 ( -0.000 0.403 -0.000) 0.403 2.912 ( 0.000 0.403 -0.000) 0.403 2.972 ( 0.000 4.192 -0.000) 4.192 2.972 ( 0.000 4.192 0.000) 4.192 3.075 ( -0.000 -2.123 0.000) 2.123 3.075 ( 0.000 -2.123 0.000) 2.123 3.211 ( -0.000 -2.109 0.000) 2.109 3.211 ( 0.000 -2.109 0.000) 2.109 3.238 ( -0.000 -3.252 0.000) 3.252 3.238 ( 0.000 -3.252 0.000) 3.252 4.457 ( -0.000 0.437 -0.000) 0.437 4.457 ( -0.000 0.437 0.000) 0.437 4.459 ( 0.000 0.239 -0.000) 0.239 4.459 ( 0.000 0.239 0.000) 0.239 4.837 ( 0.000 0.875 -0.000) 0.875 4.837 ( 0.000 0.875 0.000) 0.875 4.854 ( 0.000 -0.745 0.000) 0.745 4.854 ( 0.000 -0.745 0.000) 0.745 5.784 ( -0.000 0.373 0.000) 0.373 5.784 ( 0.000 0.373 0.000) 0.373 5.788 ( -0.000 -0.018 0.000) 0.018 5.788 ( 0.000 -0.018 0.000) 0.018 6.035 ( -0.000 0.556 0.000) 0.556 6.035 ( 0.000 0.556 0.000) 0.556 6.042 ( -0.000 -0.112 0.000) 0.112 6.042 ( 0.000 -0.112 0.000) 0.112 6.236 ( 0.000 0.758 0.000) 0.758 6.236 ( 0.000 0.758 0.000) 0.758 6.252 ( 0.000 -0.746 0.000) 0.746 6.252 ( 0.000 -0.746 0.000) 0.746 8.291 ( -0.000 0.120 0.000) 0.120 8.291 ( 0.000 0.120 0.000) 0.120 8.299 ( -0.000 -0.533 0.000) 0.533 8.299 ( 0.000 -0.533 0.000) 0.533 =================== 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 3/12096 10.0 152.561 130.405 129.753 0.000 0.000 0.000 3/12096 20.0 23.448 24.636 24.109 0.000 0.000 0.000 3/12096 30.0 10.152 11.354 10.545 0.000 0.000 0.000 3/12096 40.0 6.304 7.416 6.565 0.000 0.000 0.000 3/12096 50.0 4.576 5.565 4.768 0.000 0.000 0.000 3/12096 60.0 3.604 4.475 3.754 0.000 0.000 0.000 3/12096 70.0 2.981 3.752 3.104 0.000 0.000 -0.000 3/12096 80.0 2.546 3.235 2.651 0.000 0.000 -0.000 3/12096 90.0 2.226 2.846 2.317 0.000 0.000 -0.000 3/12096 100.0 1.979 2.542 2.060 0.000 0.000 -0.000 3/12096 110.0 1.783 2.299 1.855 0.000 0.000 -0.000 3/12096 120.0 1.623 2.099 1.689 0.000 0.000 -0.000 3/12096 130.0 1.490 1.931 1.550 0.000 0.000 -0.000 3/12096 140.0 1.378 1.789 1.434 0.000 0.000 -0.000 3/12096 150.0 1.282 1.667 1.333 0.000 0.000 -0.000 3/12096 160.0 1.199 1.561 1.247 0.000 0.000 -0.000 3/12096 170.0 1.126 1.467 1.171 0.000 0.000 -0.000 3/12096 180.0 1.061 1.384 1.104 0.000 0.000 -0.000 3/12096 190.0 1.004 1.311 1.044 0.000 0.000 -0.000 3/12096 200.0 0.953 1.245 0.990 0.000 0.000 -0.000 3/12096 210.0 0.906 1.185 0.942 0.000 0.000 -0.000 3/12096 220.0 0.864 1.131 0.899 0.000 0.000 -0.000 3/12096 230.0 0.826 1.081 0.859 0.000 0.000 -0.000 3/12096 240.0 0.791 1.036 0.823 0.000 0.000 -0.000 3/12096 250.0 0.759 0.994 0.789 0.000 0.000 -0.000 3/12096 260.0 0.730 0.956 0.758 0.000 0.000 -0.000 3/12096 270.0 0.702 0.920 0.730 0.000 0.000 -0.000 3/12096 280.0 0.677 0.888 0.704 0.000 0.000 -0.000 3/12096 290.0 0.653 0.857 0.679 0.000 0.000 -0.000 3/12096 300.0 0.632 0.828 0.656 0.000 0.000 -0.000 3/12096 310.0 0.611 0.802 0.635 0.000 0.000 -0.000 3/12096 320.0 0.592 0.777 0.615 0.000 0.000 -0.000 3/12096 330.0 0.574 0.753 0.596 0.000 0.000 -0.000 3/12096 340.0 0.557 0.731 0.579 0.000 0.000 -0.000 3/12096 350.0 0.541 0.710 0.562 0.000 0.000 -0.000 3/12096 360.0 0.526 0.690 0.546 0.000 0.000 -0.000 3/12096 370.0 0.512 0.672 0.532 0.000 0.000 -0.000 3/12096 380.0 0.498 0.654 0.518 0.000 0.000 -0.000 3/12096 390.0 0.485 0.637 0.504 0.000 0.000 -0.000 3/12096 400.0 0.473 0.622 0.492 0.000 0.000 -0.000 3/12096 410.0 0.461 0.606 0.480 0.000 0.000 -0.000 3/12096 420.0 0.450 0.592 0.468 0.000 0.000 -0.000 3/12096 430.0 0.440 0.578 0.457 0.000 0.000 -0.000 3/12096 440.0 0.430 0.565 0.447 0.000 0.000 -0.000 3/12096 450.0 0.420 0.553 0.437 0.000 0.000 -0.000 3/12096 460.0 0.411 0.541 0.427 0.000 0.000 -0.000 3/12096 470.0 0.403 0.529 0.418 0.000 0.000 -0.000 3/12096 480.0 0.394 0.518 0.410 0.000 0.000 -0.000 3/12096 490.0 0.386 0.508 0.401 0.000 0.000 -0.000 3/12096 500.0 0.378 0.498 0.393 0.000 0.000 -0.000 3/12096 510.0 0.371 0.488 0.385 0.000 0.000 -0.000 3/12096 520.0 0.364 0.479 0.378 0.000 0.000 -0.000 3/12096 530.0 0.357 0.470 0.371 0.000 0.000 -0.000 3/12096 540.0 0.350 0.461 0.364 0.000 0.000 -0.000 3/12096 550.0 0.344 0.453 0.357 0.000 0.000 -0.000 3/12096 560.0 0.338 0.445 0.351 0.000 0.000 -0.000 3/12096 570.0 0.332 0.437 0.345 0.000 0.000 -0.000 3/12096 580.0 0.326 0.429 0.339 0.000 0.000 -0.000 3/12096 590.0 0.321 0.422 0.333 0.000 0.000 -0.000 3/12096 600.0 0.315 0.415 0.328 0.000 0.000 -0.000 3/12096 610.0 0.310 0.408 0.322 0.000 0.000 -0.000 3/12096 620.0 0.305 0.402 0.317 0.000 0.000 -0.000 3/12096 630.0 0.300 0.395 0.312 0.000 0.000 -0.000 3/12096 640.0 0.296 0.389 0.307 0.000 0.000 -0.000 3/12096 650.0 0.291 0.383 0.302 0.000 0.000 -0.000 3/12096 660.0 0.287 0.377 0.298 0.000 0.000 -0.000 3/12096 670.0 0.282 0.372 0.293 0.000 0.000 -0.000 3/12096 680.0 0.278 0.366 0.289 0.000 0.000 -0.000 3/12096 690.0 0.274 0.361 0.285 0.000 0.000 -0.000 3/12096 700.0 0.270 0.356 0.281 0.000 0.000 -0.000 3/12096 710.0 0.267 0.351 0.277 0.000 0.000 -0.000 3/12096 720.0 0.263 0.346 0.273 0.000 0.000 -0.000 3/12096 730.0 0.259 0.341 0.269 0.000 0.000 -0.000 3/12096 740.0 0.256 0.337 0.266 0.000 0.000 -0.000 3/12096 750.0 0.252 0.332 0.262 0.000 0.000 -0.000 3/12096 760.0 0.249 0.328 0.259 0.000 0.000 -0.000 3/12096 770.0 0.246 0.324 0.255 0.000 0.000 -0.000 3/12096 780.0 0.243 0.320 0.252 0.000 0.000 -0.000 3/12096 790.0 0.240 0.316 0.249 0.000 0.000 -0.000 3/12096 800.0 0.237 0.312 0.246 0.000 0.000 -0.000 3/12096 810.0 0.234 0.308 0.243 0.000 0.000 -0.000 3/12096 820.0 0.231 0.304 0.240 0.000 0.000 -0.000 3/12096 830.0 0.228 0.300 0.237 0.000 0.000 -0.000 3/12096 840.0 0.225 0.297 0.234 0.000 0.000 -0.000 3/12096 850.0 0.223 0.293 0.231 0.000 0.000 -0.000 3/12096 860.0 0.220 0.290 0.229 0.000 0.000 -0.000 3/12096 870.0 0.218 0.287 0.226 0.000 0.000 -0.000 3/12096 880.0 0.215 0.283 0.223 0.000 0.000 -0.000 3/12096 890.0 0.213 0.280 0.221 0.000 0.000 -0.000 3/12096 900.0 0.210 0.277 0.218 0.000 0.000 -0.000 3/12096 910.0 0.208 0.274 0.216 0.000 0.000 -0.000 3/12096 920.0 0.206 0.271 0.214 0.000 0.000 -0.000 3/12096 930.0 0.204 0.268 0.211 0.000 0.000 -0.000 3/12096 940.0 0.201 0.265 0.209 0.000 0.000 -0.000 3/12096 950.0 0.199 0.263 0.207 0.000 0.000 -0.000 3/12096 960.0 0.197 0.260 0.205 0.000 0.000 -0.000 3/12096 970.0 0.195 0.257 0.203 0.000 0.000 -0.000 3/12096 980.0 0.193 0.255 0.201 0.000 0.000 -0.000 3/12096 990.0 0.191 0.252 0.199 0.000 0.000 -0.000 3/12096 1000.0 0.189 0.249 0.197 0.000 0.000 -0.000 3/12096 Thermal conductivity related properties were written into "kappa-m674.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:09:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|