----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:28:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.015136314658576 2.895490301290790 3.704669439999996 b -5.015136314658565 2.895490301290790 3.704669439999996 c 0.000000000000005 -5.790980602581589 3.704669439999996 Atomic positions (fractional): *1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 *2 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 *3 Bi 0.07365543130793 0.55835779342540 0.25176122445044 208.980 4 Bi 0.25176122445044 0.07365543130793 0.55835779342540 208.980 5 Bi 0.44164220657460 0.74823877554956 0.92634456869207 208.980 6 Bi 0.55835779342540 0.25176122445044 0.07365543130793 208.980 7 Bi 0.74823877554956 0.92634456869208 0.44164220657460 208.980 8 Bi 0.92634456869207 0.44164220657460 0.74823877554956 208.980 *9 O 0.06361300243127 0.69448802800965 0.93288755837347 15.999 10 O 0.06711244162653 0.93638699756873 0.30551197199035 15.999 *11 O 0.19458736866650 0.40175720443297 0.53015664728023 15.999 12 O 0.30551197199035 0.06711244162653 0.93638699756873 15.999 13 O 0.40175720443297 0.53015664728023 0.19458736866650 15.999 14 O 0.46984335271977 0.80541263133350 0.59824279556703 15.999 15 O 0.53015664728023 0.19458736866650 0.40175720443297 15.999 16 O 0.59824279556703 0.46984335271977 0.80541263133350 15.999 17 O 0.69448802800965 0.93288755837347 0.06361300243127 15.999 18 O 0.80541263133350 0.59824279556703 0.46984335271977 15.999 19 O 0.93288755837347 0.06361300243127 0.69448802800965 15.999 20 O 0.93638699756873 0.30551197199036 0.06711244162653 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.030272629317141 0.000000000000000 0.000000000000000 b -5.015136314658570 8.686470903872380 0.000000000000000 c 0.000000000000000 0.000000000000000 11.114008320000000 Atomic positions (fractional): *1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 1 *2 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 2 3 Lu 0.66666666666667 0.33333333333333 0.33333333333333 174.967 > 1 4 Lu 0.66666666666667 0.33333333333333 0.83333333333333 174.967 > 2 5 Lu 0.33333333333333 0.66666666666667 0.66666666666667 174.967 > 1 6 Lu 0.33333333333333 0.66666666666667 0.16666666666667 174.967 > 2 *7 Bi 0.77906394824667 0.04283025861082 0.29459148306126 208.980 > 3 8 Bi 0.95716974138918 0.73623368963585 0.29459148306126 208.980 > 4 9 Bi 0.73623368963585 0.77906394824667 0.70540851693874 208.980 > 5 10 Bi 0.26376631036415 0.22093605175333 0.29459148306126 208.980 > 6 11 Bi 0.04283025861082 0.26376631036415 0.70540851693874 208.980 > 7 12 Bi 0.22093605175333 0.95716974138918 0.70540851693874 208.980 > 8 13 Bi 0.44573061491334 0.37616359194415 0.62792481639459 208.980 > 3 14 Bi 0.62383640805585 0.06956702296919 0.62792481639459 208.980 > 4 15 Bi 0.40290035630252 0.11239728158000 0.03874185027208 208.980 > 5 16 Bi 0.93043297703081 0.55426938508666 0.62792481639459 208.980 > 6 17 Bi 0.70949692527748 0.59709964369748 0.03874185027208 208.980 > 7 18 Bi 0.88760271842000 0.29050307472252 0.03874185027208 208.980 > 8 19 Bi 0.11239728158000 0.70949692527748 0.96125814972792 208.980 > 3 20 Bi 0.29050307472252 0.40290035630252 0.96125814972792 208.980 > 4 21 Bi 0.06956702296919 0.44573061491334 0.37207518360541 208.980 > 5 22 Bi 0.59709964369748 0.88760271842000 0.96125814972792 208.980 > 6 23 Bi 0.37616359194415 0.93043297703081 0.37207518360541 208.980 > 7 24 Bi 0.55426938508666 0.62383640805585 0.37207518360541 208.980 > 8 *25 O 0.49995013949314 0.63077530456466 0.56366286293813 15.999 > 9 26 O 0.63077530456466 0.13082516507152 0.43633713706187 15.999 > 10 *27 O 0.81908696187327 0.84534375951300 0.37550040679323 15.999 > 11 28 O 0.86917483492848 0.49995013949314 0.43633713706187 15.999 > 12 29 O 0.02625679763974 0.18091303812674 0.37550040679323 15.999 > 13 30 O 0.84534375951300 0.02625679763974 0.62449959320677 15.999 > 14 31 O 0.15465624048700 0.97374320236026 0.37550040679323 15.999 > 15 32 O 0.97374320236026 0.81908696187327 0.62449959320677 15.999 > 16 33 O 0.13082516507152 0.50004986050686 0.56366286293813 15.999 > 17 34 O 0.18091303812674 0.15465624048700 0.62449959320677 15.999 > 18 35 O 0.36922469543534 0.86917483492848 0.56366286293813 15.999 > 19 36 O 0.50004986050686 0.36922469543534 0.43633713706187 15.999 > 20 37 O 0.16661680615981 0.96410863789799 0.89699619627146 15.999 > 9 38 O 0.29744197123132 0.46415849840485 0.76967047039520 15.999 > 10 39 O 0.48575362853993 0.17867709284634 0.70883374012657 15.999 > 11 40 O 0.53584150159515 0.83328347282647 0.76967047039520 15.999 > 12 41 O 0.69292346430640 0.51424637146007 0.70883374012657 15.999 > 13 42 O 0.51201042617967 0.35959013097307 0.95783292654010 15.999 > 14 43 O 0.82132290715366 0.30707653569359 0.70883374012657 15.999 > 15 44 O 0.64040986902693 0.15242029520660 0.95783292654010 15.999 > 16 45 O 0.79749183173818 0.83338319384019 0.89699619627146 15.999 > 17 46 O 0.84757970479340 0.48798957382033 0.95783292654010 15.999 > 18 47 O 0.03589136210201 0.20250816826182 0.89699619627146 15.999 > 19 48 O 0.16671652717353 0.70255802876868 0.76967047039520 15.999 > 20 49 O 0.83328347282647 0.29744197123132 0.23032952960480 15.999 > 9 50 O 0.96410863789799 0.79749183173818 0.10300380372854 15.999 > 10 51 O 0.15242029520660 0.51201042617967 0.04216707345990 15.999 > 11 52 O 0.20250816826182 0.16661680615981 0.10300380372854 15.999 > 12 53 O 0.35959013097307 0.84757970479340 0.04216707345990 15.999 > 13 54 O 0.17867709284634 0.69292346430640 0.29116625987343 15.999 > 14 55 O 0.48798957382033 0.64040986902693 0.04216707345990 15.999 > 15 56 O 0.30707653569359 0.48575362853993 0.29116625987343 15.999 > 16 57 O 0.46415849840485 0.16671652717353 0.23032952960480 15.999 > 17 58 O 0.51424637146007 0.82132290715366 0.29116625987343 15.999 > 18 59 O 0.70255802876868 0.53584150159515 0.23032952960480 15.999 > 19 60 O 0.83338319384019 0.03589136210201 0.10300380372854 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.030272629317141 0.000000000000000 0.000000000000000 b -5.015136314658570 8.686470903872380 0.000000000000000 c 0.000000000000000 0.000000000000000 11.114008320000000 Atomic positions (fractional): *1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 1 *2 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 2 3 Lu 0.66666666666667 0.33333333333333 0.33333333333333 174.967 > 1 4 Lu 0.66666666666667 0.33333333333333 0.83333333333333 174.967 > 2 5 Lu 0.33333333333333 0.66666666666667 0.66666666666667 174.967 > 1 6 Lu 0.33333333333333 0.66666666666667 0.16666666666667 174.967 > 2 *7 Bi 0.77906394824667 0.04283025861082 0.29459148306126 208.980 > 3 8 Bi 0.95716974138918 0.73623368963585 0.29459148306126 208.980 > 4 9 Bi 0.73623368963585 0.77906394824667 0.70540851693874 208.980 > 5 10 Bi 0.26376631036415 0.22093605175333 0.29459148306126 208.980 > 6 11 Bi 0.04283025861082 0.26376631036415 0.70540851693874 208.980 > 7 12 Bi 0.22093605175333 0.95716974138918 0.70540851693874 208.980 > 8 13 Bi 0.44573061491334 0.37616359194415 0.62792481639459 208.980 > 3 14 Bi 0.62383640805585 0.06956702296919 0.62792481639459 208.980 > 4 15 Bi 0.40290035630252 0.11239728158000 0.03874185027208 208.980 > 5 16 Bi 0.93043297703081 0.55426938508666 0.62792481639459 208.980 > 6 17 Bi 0.70949692527748 0.59709964369748 0.03874185027208 208.980 > 7 18 Bi 0.88760271842000 0.29050307472252 0.03874185027208 208.980 > 8 19 Bi 0.11239728158000 0.70949692527748 0.96125814972792 208.980 > 3 20 Bi 0.29050307472252 0.40290035630252 0.96125814972792 208.980 > 4 21 Bi 0.06956702296919 0.44573061491334 0.37207518360541 208.980 > 5 22 Bi 0.59709964369748 0.88760271842000 0.96125814972792 208.980 > 6 23 Bi 0.37616359194415 0.93043297703081 0.37207518360541 208.980 > 7 24 Bi 0.55426938508666 0.62383640805585 0.37207518360541 208.980 > 8 *25 O 0.49995013949314 0.63077530456466 0.56366286293813 15.999 > 9 26 O 0.63077530456466 0.13082516507152 0.43633713706187 15.999 > 10 *27 O 0.81908696187327 0.84534375951300 0.37550040679323 15.999 > 11 28 O 0.86917483492848 0.49995013949314 0.43633713706187 15.999 > 12 29 O 0.02625679763974 0.18091303812674 0.37550040679323 15.999 > 13 30 O 0.84534375951300 0.02625679763974 0.62449959320677 15.999 > 14 31 O 0.15465624048700 0.97374320236026 0.37550040679323 15.999 > 15 32 O 0.97374320236026 0.81908696187327 0.62449959320677 15.999 > 16 33 O 0.13082516507152 0.50004986050686 0.56366286293813 15.999 > 17 34 O 0.18091303812674 0.15465624048700 0.62449959320677 15.999 > 18 35 O 0.36922469543534 0.86917483492848 0.56366286293813 15.999 > 19 36 O 0.50004986050686 0.36922469543534 0.43633713706187 15.999 > 20 37 O 0.16661680615981 0.96410863789799 0.89699619627146 15.999 > 9 38 O 0.29744197123132 0.46415849840485 0.76967047039520 15.999 > 10 39 O 0.48575362853993 0.17867709284634 0.70883374012657 15.999 > 11 40 O 0.53584150159515 0.83328347282647 0.76967047039520 15.999 > 12 41 O 0.69292346430640 0.51424637146007 0.70883374012657 15.999 > 13 42 O 0.51201042617967 0.35959013097307 0.95783292654010 15.999 > 14 43 O 0.82132290715366 0.30707653569359 0.70883374012657 15.999 > 15 44 O 0.64040986902693 0.15242029520660 0.95783292654010 15.999 > 16 45 O 0.79749183173818 0.83338319384019 0.89699619627146 15.999 > 17 46 O 0.84757970479340 0.48798957382033 0.95783292654010 15.999 > 18 47 O 0.03589136210201 0.20250816826182 0.89699619627146 15.999 > 19 48 O 0.16671652717353 0.70255802876868 0.76967047039520 15.999 > 20 49 O 0.83328347282647 0.29744197123132 0.23032952960480 15.999 > 9 50 O 0.96410863789799 0.79749183173818 0.10300380372854 15.999 > 10 51 O 0.15242029520660 0.51201042617967 0.04216707345990 15.999 > 11 52 O 0.20250816826182 0.16661680615981 0.10300380372854 15.999 > 12 53 O 0.35959013097307 0.84757970479340 0.04216707345990 15.999 > 13 54 O 0.17867709284634 0.69292346430640 0.29116625987343 15.999 > 14 55 O 0.48798957382033 0.64040986902693 0.04216707345990 15.999 > 15 56 O 0.30707653569359 0.48575362853993 0.29116625987343 15.999 > 16 57 O 0.46415849840485 0.16671652717353 0.23032952960480 15.999 > 17 58 O 0.51424637146007 0.82132290715366 0.29116625987343 15.999 > 18 59 O 0.70255802876868 0.53584150159515 0.23032952960480 15.999 > 19 60 O 0.83338319384019 0.03589136210201 0.10300380372854 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0037041 -0.0016243 0.0000000 0.0016243 10.0037041 0.0000000 0.0000000 0.0000000 7.2092010 -------------------------- Born effective charges -------------------------- 1 Lu 4.4072147 0.2337308 0.0000000 -0.2337308 4.4072147 0.0000000 0.0000000 -0.0000000 2.7631529 2 Lu 3.0675982 0.1516267 0.0000000 -0.1516267 3.0675982 0.0000000 0.0000000 -0.0000000 4.7737553 3 Bi 3.8934520 0.3848812 0.4499924 0.4337286 4.9728580 -0.4545701 -0.5227508 -0.1836829 3.9598590 4 Bi 5.0574749 0.2383204 0.1686730 0.2871678 3.8088351 0.6169899 0.4204495 -0.3608740 3.9598590 5 Bi 4.3485381 -0.6964727 -0.6186654 -0.6476252 4.5177719 -0.1624198 0.1023013 0.5445569 3.9598590 6 Bi 4.3485381 -0.6964727 -0.6186654 -0.6476252 4.5177719 -0.1624198 0.1023013 0.5445569 3.9598590 7 Bi 5.0574749 0.2383204 0.1686730 0.2871678 3.8088351 0.6169899 0.4204495 -0.3608740 3.9598590 8 Bi 3.8934520 0.3848812 0.4499924 0.4337286 4.9728580 -0.4545701 -0.5227508 -0.1836829 3.9598590 9 O -2.0430107 0.3565744 0.0661705 0.1498627 -2.5789074 -0.1498342 0.1003373 -0.6236311 -3.3123575 10 O -2.2256396 -0.2553035 0.0966750 -0.4620152 -2.3962786 0.1322224 0.4899117 0.3987101 -3.3123575 11 O -3.4359350 0.0013656 -0.1554638 0.2876824 -3.3000612 -0.2342356 0.1486921 -0.0368472 -1.9036528 12 O -2.6642270 0.2087967 -0.1628455 0.0020849 -1.9576912 0.0176117 -0.5902490 0.2249209 -3.3123575 13 O -3.4591910 -0.2742555 -0.1251221 0.0120613 -3.2768051 0.2517534 -0.1062566 -0.1103475 -1.9036528 14 O -3.2088682 -0.1565853 0.2805859 0.1297315 -3.5271280 -0.0175178 -0.0424355 0.1471947 -1.9036528 15 O -3.2088682 -0.1565853 0.2805859 0.1297315 -3.5271280 -0.0175178 -0.0424355 0.1471947 -1.9036528 16 O -3.4591910 -0.2742555 -0.1251221 0.0120613 -3.2768051 0.2517534 -0.1062566 -0.1103475 -1.9036528 17 O -2.6642270 0.2087967 -0.1628455 0.0020849 -1.9576912 0.0176117 -0.5902490 0.2249209 -3.3123575 18 O -3.4359350 0.0013656 -0.1554638 0.2876824 -3.3000612 -0.2342356 0.1486921 -0.0368472 -1.9036528 19 O -2.2256396 -0.2553035 0.0966750 -0.4620152 -2.3962786 0.1322224 0.4899117 0.3987101 -3.3123575 20 O -2.0430107 0.3565744 0.0661705 0.1498627 -2.5789074 -0.1498342 0.1003373 -0.6236311 -3.3123575 ---------------------------------------------------------------------------- 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: 180/180 Permutation basis: 7026/7026 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 923 Number of blocks in projector: 424 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 111 Use standard eigh solver. Tree of FC basis block matrices: - (923, 891), data: False |-- (111, 106), data: True |-- (396, 384), data: True |-- (416, 401), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 0.530 Solver_block: 200 / 400 - Time: 0.526 Solver_block: 300 / 400 - Time: 0.529 Solver_block: 400 / 400 - Time: 0.527 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.129 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 180/180 Permutation basis: 7026/7026 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 923 Number of blocks in projector: 424 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 111 Use standard eigh solver. Tree of FC basis block matrices: - (923, 891), data: False |-- (111, 106), data: True |-- (396, 384), data: True |-- (416, 401), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:28:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:28:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.015136314658576 2.895490301290790 3.704669439999996 b -5.015136314658565 2.895490301290790 3.704669439999996 c 0.000000000000005 -5.790980602581589 3.704669439999996 Atomic positions (fractional): 1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 2 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 3 Bi 0.07365543130793 0.55835779342540 0.25176122445044 208.980 4 Bi 0.25176122445044 0.07365543130793 0.55835779342540 208.980 5 Bi 0.44164220657460 0.74823877554956 0.92634456869207 208.980 6 Bi 0.55835779342540 0.25176122445044 0.07365543130793 208.980 7 Bi 0.74823877554956 0.92634456869208 0.44164220657460 208.980 8 Bi 0.92634456869207 0.44164220657460 0.74823877554956 208.980 9 O 0.06361300243127 0.69448802800965 0.93288755837347 15.999 10 O 0.06711244162653 0.93638699756873 0.30551197199035 15.999 11 O 0.19458736866650 0.40175720443297 0.53015664728023 15.999 12 O 0.30551197199035 0.06711244162653 0.93638699756873 15.999 13 O 0.40175720443297 0.53015664728023 0.19458736866650 15.999 14 O 0.46984335271977 0.80541263133350 0.59824279556703 15.999 15 O 0.53015664728023 0.19458736866650 0.40175720443297 15.999 16 O 0.59824279556703 0.46984335271977 0.80541263133350 15.999 17 O 0.69448802800965 0.93288755837347 0.06361300243127 15.999 18 O 0.80541263133350 0.59824279556703 0.46984335271977 15.999 19 O 0.93288755837347 0.06361300243127 0.69448802800965 15.999 20 O 0.93638699756873 0.30551197199036 0.06711244162653 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.030272629317141 0.000000000000000 0.000000000000000 b -5.015136314658570 8.686470903872380 0.000000000000000 c 0.000000000000000 0.000000000000000 11.114008320000000 Atomic positions (fractional): 1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 1 2 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 2 3 Lu 0.66666666666667 0.33333333333333 0.33333333333333 174.967 > 1 4 Lu 0.66666666666667 0.33333333333333 0.83333333333333 174.967 > 2 5 Lu 0.33333333333333 0.66666666666667 0.66666666666667 174.967 > 1 6 Lu 0.33333333333333 0.66666666666667 0.16666666666667 174.967 > 2 7 Bi 0.77906394824667 0.04283025861082 0.29459148306126 208.980 > 7 8 Bi 0.95716974138918 0.73623368963585 0.29459148306126 208.980 > 8 9 Bi 0.73623368963585 0.77906394824667 0.70540851693874 208.980 > 9 10 Bi 0.26376631036415 0.22093605175333 0.29459148306126 208.980 > 10 11 Bi 0.04283025861082 0.26376631036415 0.70540851693874 208.980 > 11 12 Bi 0.22093605175333 0.95716974138918 0.70540851693874 208.980 > 12 13 Bi 0.44573061491334 0.37616359194415 0.62792481639459 208.980 > 7 14 Bi 0.62383640805585 0.06956702296919 0.62792481639459 208.980 > 8 15 Bi 0.40290035630252 0.11239728158000 0.03874185027208 208.980 > 9 16 Bi 0.93043297703081 0.55426938508666 0.62792481639459 208.980 > 10 17 Bi 0.70949692527748 0.59709964369748 0.03874185027208 208.980 > 11 18 Bi 0.88760271842000 0.29050307472252 0.03874185027208 208.980 > 12 19 Bi 0.11239728158000 0.70949692527748 0.96125814972792 208.980 > 7 20 Bi 0.29050307472252 0.40290035630252 0.96125814972792 208.980 > 8 21 Bi 0.06956702296919 0.44573061491334 0.37207518360541 208.980 > 9 22 Bi 0.59709964369748 0.88760271842000 0.96125814972792 208.980 > 10 23 Bi 0.37616359194415 0.93043297703081 0.37207518360541 208.980 > 11 24 Bi 0.55426938508666 0.62383640805585 0.37207518360541 208.980 > 12 25 O 0.49995013949314 0.63077530456466 0.56366286293813 15.999 > 25 26 O 0.63077530456466 0.13082516507152 0.43633713706187 15.999 > 26 27 O 0.81908696187327 0.84534375951300 0.37550040679323 15.999 > 27 28 O 0.86917483492848 0.49995013949314 0.43633713706187 15.999 > 28 29 O 0.02625679763974 0.18091303812674 0.37550040679323 15.999 > 29 30 O 0.84534375951300 0.02625679763974 0.62449959320677 15.999 > 30 31 O 0.15465624048700 0.97374320236026 0.37550040679323 15.999 > 31 32 O 0.97374320236026 0.81908696187327 0.62449959320677 15.999 > 32 33 O 0.13082516507152 0.50004986050686 0.56366286293813 15.999 > 33 34 O 0.18091303812674 0.15465624048700 0.62449959320677 15.999 > 34 35 O 0.36922469543534 0.86917483492848 0.56366286293813 15.999 > 35 36 O 0.50004986050686 0.36922469543534 0.43633713706187 15.999 > 36 37 O 0.16661680615981 0.96410863789799 0.89699619627146 15.999 > 25 38 O 0.29744197123132 0.46415849840485 0.76967047039520 15.999 > 26 39 O 0.48575362853993 0.17867709284634 0.70883374012657 15.999 > 27 40 O 0.53584150159515 0.83328347282647 0.76967047039520 15.999 > 28 41 O 0.69292346430640 0.51424637146007 0.70883374012657 15.999 > 29 42 O 0.51201042617967 0.35959013097307 0.95783292654010 15.999 > 30 43 O 0.82132290715366 0.30707653569359 0.70883374012657 15.999 > 31 44 O 0.64040986902693 0.15242029520660 0.95783292654010 15.999 > 32 45 O 0.79749183173818 0.83338319384019 0.89699619627146 15.999 > 33 46 O 0.84757970479340 0.48798957382033 0.95783292654010 15.999 > 34 47 O 0.03589136210201 0.20250816826182 0.89699619627146 15.999 > 35 48 O 0.16671652717353 0.70255802876868 0.76967047039520 15.999 > 36 49 O 0.83328347282647 0.29744197123132 0.23032952960480 15.999 > 25 50 O 0.96410863789799 0.79749183173818 0.10300380372854 15.999 > 26 51 O 0.15242029520660 0.51201042617967 0.04216707345990 15.999 > 27 52 O 0.20250816826182 0.16661680615981 0.10300380372854 15.999 > 28 53 O 0.35959013097307 0.84757970479340 0.04216707345990 15.999 > 29 54 O 0.17867709284634 0.69292346430640 0.29116625987343 15.999 > 30 55 O 0.48798957382033 0.64040986902693 0.04216707345990 15.999 > 31 56 O 0.30707653569359 0.48575362853993 0.29116625987343 15.999 > 32 57 O 0.46415849840485 0.16671652717353 0.23032952960480 15.999 > 33 58 O 0.51424637146007 0.82132290715366 0.29116625987343 15.999 > 34 59 O 0.70255802876868 0.53584150159515 0.23032952960480 15.999 > 35 60 O 0.83338319384019 0.03589136210201 0.10300380372854 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0037041 -0.0016243 0.0000000 0.0016243 10.0037041 0.0000000 0.0000000 0.0000000 7.2092010 -------------------------- Born effective charges -------------------------- 1 Lu 4.4072147 0.2337308 0.0000000 -0.2337308 4.4072147 0.0000000 0.0000000 -0.0000000 2.7631529 2 Lu 3.0675982 0.1516267 0.0000000 -0.1516267 3.0675982 0.0000000 0.0000000 -0.0000000 4.7737553 3 Bi 3.8934520 0.3848812 0.4499924 0.4337286 4.9728580 -0.4545701 -0.5227508 -0.1836829 3.9598590 4 Bi 5.0574749 0.2383204 0.1686730 0.2871678 3.8088351 0.6169899 0.4204495 -0.3608740 3.9598590 5 Bi 4.3485381 -0.6964727 -0.6186654 -0.6476252 4.5177719 -0.1624198 0.1023013 0.5445569 3.9598590 6 Bi 4.3485381 -0.6964727 -0.6186654 -0.6476252 4.5177719 -0.1624198 0.1023013 0.5445569 3.9598590 7 Bi 5.0574749 0.2383204 0.1686730 0.2871678 3.8088351 0.6169899 0.4204495 -0.3608740 3.9598590 8 Bi 3.8934520 0.3848812 0.4499924 0.4337286 4.9728580 -0.4545701 -0.5227508 -0.1836829 3.9598590 9 O -2.0430107 0.3565744 0.0661705 0.1498627 -2.5789074 -0.1498342 0.1003373 -0.6236311 -3.3123575 10 O -2.2256396 -0.2553035 0.0966750 -0.4620152 -2.3962786 0.1322224 0.4899117 0.3987101 -3.3123575 11 O -3.4359350 0.0013656 -0.1554638 0.2876824 -3.3000612 -0.2342356 0.1486921 -0.0368472 -1.9036528 12 O -2.6642270 0.2087967 -0.1628455 0.0020849 -1.9576912 0.0176117 -0.5902490 0.2249209 -3.3123575 13 O -3.4591910 -0.2742555 -0.1251221 0.0120613 -3.2768051 0.2517534 -0.1062566 -0.1103475 -1.9036528 14 O -3.2088682 -0.1565853 0.2805859 0.1297315 -3.5271280 -0.0175178 -0.0424355 0.1471947 -1.9036528 15 O -3.2088682 -0.1565853 0.2805859 0.1297315 -3.5271280 -0.0175178 -0.0424355 0.1471947 -1.9036528 16 O -3.4591910 -0.2742555 -0.1251221 0.0120613 -3.2768051 0.2517534 -0.1062566 -0.1103475 -1.9036528 17 O -2.6642270 0.2087967 -0.1628455 0.0020849 -1.9576912 0.0176117 -0.5902490 0.2249209 -3.3123575 18 O -3.4359350 0.0013656 -0.1554638 0.2876824 -3.3000612 -0.2342356 0.1486921 -0.0368472 -1.9036528 19 O -2.2256396 -0.2553035 0.0966750 -0.4620152 -2.3962786 0.1322224 0.4899117 0.3987101 -3.3123575 20 O -2.0430107 0.3565744 0.0661705 0.1498627 -2.5789074 -0.1498342 0.1003373 -0.6236311 -3.3123575 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 2, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:28:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:28:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.015136314658576 2.895490301290790 3.704669439999996 b -5.015136314658565 2.895490301290790 3.704669439999996 c 0.000000000000005 -5.790980602581589 3.704669439999996 Atomic positions (fractional): 1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 2 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 3 Bi 0.07365543130793 0.55835779342540 0.25176122445044 208.980 4 Bi 0.25176122445044 0.07365543130793 0.55835779342540 208.980 5 Bi 0.44164220657460 0.74823877554956 0.92634456869207 208.980 6 Bi 0.55835779342540 0.25176122445044 0.07365543130793 208.980 7 Bi 0.74823877554956 0.92634456869208 0.44164220657460 208.980 8 Bi 0.92634456869207 0.44164220657460 0.74823877554956 208.980 9 O 0.06361300243127 0.69448802800965 0.93288755837347 15.999 10 O 0.06711244162653 0.93638699756873 0.30551197199035 15.999 11 O 0.19458736866650 0.40175720443297 0.53015664728023 15.999 12 O 0.30551197199035 0.06711244162653 0.93638699756873 15.999 13 O 0.40175720443297 0.53015664728023 0.19458736866650 15.999 14 O 0.46984335271977 0.80541263133350 0.59824279556703 15.999 15 O 0.53015664728023 0.19458736866650 0.40175720443297 15.999 16 O 0.59824279556703 0.46984335271977 0.80541263133350 15.999 17 O 0.69448802800965 0.93288755837347 0.06361300243127 15.999 18 O 0.80541263133350 0.59824279556703 0.46984335271977 15.999 19 O 0.93288755837347 0.06361300243127 0.69448802800965 15.999 20 O 0.93638699756873 0.30551197199036 0.06711244162653 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.030272629317141 0.000000000000000 0.000000000000000 b -5.015136314658570 8.686470903872380 0.000000000000000 c 0.000000000000000 0.000000000000000 11.114008320000000 Atomic positions (fractional): 1 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 1 2 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 2 3 Lu 0.66666666666667 0.33333333333333 0.33333333333333 174.967 > 1 4 Lu 0.66666666666667 0.33333333333333 0.83333333333333 174.967 > 2 5 Lu 0.33333333333333 0.66666666666667 0.66666666666667 174.967 > 1 6 Lu 0.33333333333333 0.66666666666667 0.16666666666667 174.967 > 2 7 Bi 0.77906394824667 0.04283025861082 0.29459148306126 208.980 > 7 8 Bi 0.95716974138918 0.73623368963585 0.29459148306126 208.980 > 8 9 Bi 0.73623368963585 0.77906394824667 0.70540851693874 208.980 > 9 10 Bi 0.26376631036415 0.22093605175333 0.29459148306126 208.980 > 10 11 Bi 0.04283025861082 0.26376631036415 0.70540851693874 208.980 > 11 12 Bi 0.22093605175333 0.95716974138918 0.70540851693874 208.980 > 12 13 Bi 0.44573061491334 0.37616359194415 0.62792481639459 208.980 > 7 14 Bi 0.62383640805585 0.06956702296919 0.62792481639459 208.980 > 8 15 Bi 0.40290035630252 0.11239728158000 0.03874185027208 208.980 > 9 16 Bi 0.93043297703081 0.55426938508666 0.62792481639459 208.980 > 10 17 Bi 0.70949692527748 0.59709964369748 0.03874185027208 208.980 > 11 18 Bi 0.88760271842000 0.29050307472252 0.03874185027208 208.980 > 12 19 Bi 0.11239728158000 0.70949692527748 0.96125814972792 208.980 > 7 20 Bi 0.29050307472252 0.40290035630252 0.96125814972792 208.980 > 8 21 Bi 0.06956702296919 0.44573061491334 0.37207518360541 208.980 > 9 22 Bi 0.59709964369748 0.88760271842000 0.96125814972792 208.980 > 10 23 Bi 0.37616359194415 0.93043297703081 0.37207518360541 208.980 > 11 24 Bi 0.55426938508666 0.62383640805585 0.37207518360541 208.980 > 12 25 O 0.49995013949314 0.63077530456466 0.56366286293813 15.999 > 25 26 O 0.63077530456466 0.13082516507152 0.43633713706187 15.999 > 26 27 O 0.81908696187327 0.84534375951300 0.37550040679323 15.999 > 27 28 O 0.86917483492848 0.49995013949314 0.43633713706187 15.999 > 28 29 O 0.02625679763974 0.18091303812674 0.37550040679323 15.999 > 29 30 O 0.84534375951300 0.02625679763974 0.62449959320677 15.999 > 30 31 O 0.15465624048700 0.97374320236026 0.37550040679323 15.999 > 31 32 O 0.97374320236026 0.81908696187327 0.62449959320677 15.999 > 32 33 O 0.13082516507152 0.50004986050686 0.56366286293813 15.999 > 33 34 O 0.18091303812674 0.15465624048700 0.62449959320677 15.999 > 34 35 O 0.36922469543534 0.86917483492848 0.56366286293813 15.999 > 35 36 O 0.50004986050686 0.36922469543534 0.43633713706187 15.999 > 36 37 O 0.16661680615981 0.96410863789799 0.89699619627146 15.999 > 25 38 O 0.29744197123132 0.46415849840485 0.76967047039520 15.999 > 26 39 O 0.48575362853993 0.17867709284634 0.70883374012657 15.999 > 27 40 O 0.53584150159515 0.83328347282647 0.76967047039520 15.999 > 28 41 O 0.69292346430640 0.51424637146007 0.70883374012657 15.999 > 29 42 O 0.51201042617967 0.35959013097307 0.95783292654010 15.999 > 30 43 O 0.82132290715366 0.30707653569359 0.70883374012657 15.999 > 31 44 O 0.64040986902693 0.15242029520660 0.95783292654010 15.999 > 32 45 O 0.79749183173818 0.83338319384019 0.89699619627146 15.999 > 33 46 O 0.84757970479340 0.48798957382033 0.95783292654010 15.999 > 34 47 O 0.03589136210201 0.20250816826182 0.89699619627146 15.999 > 35 48 O 0.16671652717353 0.70255802876868 0.76967047039520 15.999 > 36 49 O 0.83328347282647 0.29744197123132 0.23032952960480 15.999 > 25 50 O 0.96410863789799 0.79749183173818 0.10300380372854 15.999 > 26 51 O 0.15242029520660 0.51201042617967 0.04216707345990 15.999 > 27 52 O 0.20250816826182 0.16661680615981 0.10300380372854 15.999 > 28 53 O 0.35959013097307 0.84757970479340 0.04216707345990 15.999 > 29 54 O 0.17867709284634 0.69292346430640 0.29116625987343 15.999 > 30 55 O 0.48798957382033 0.64040986902693 0.04216707345990 15.999 > 31 56 O 0.30707653569359 0.48575362853993 0.29116625987343 15.999 > 32 57 O 0.46415849840485 0.16671652717353 0.23032952960480 15.999 > 33 58 O 0.51424637146007 0.82132290715366 0.29116625987343 15.999 > 34 59 O 0.70255802876868 0.53584150159515 0.23032952960480 15.999 > 35 60 O 0.83338319384019 0.03589136210201 0.10300380372854 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.0037041 -0.0016243 0.0000000 0.0016243 10.0037041 0.0000000 0.0000000 0.0000000 7.2092010 -------------------------- Born effective charges -------------------------- 1 Lu 4.4072147 0.2337308 0.0000000 -0.2337308 4.4072147 0.0000000 0.0000000 -0.0000000 2.7631529 2 Lu 3.0675982 0.1516267 0.0000000 -0.1516267 3.0675982 0.0000000 0.0000000 -0.0000000 4.7737553 3 Bi 3.8934520 0.3848812 0.4499924 0.4337286 4.9728580 -0.4545701 -0.5227508 -0.1836829 3.9598590 4 Bi 5.0574749 0.2383204 0.1686730 0.2871678 3.8088351 0.6169899 0.4204495 -0.3608740 3.9598590 5 Bi 4.3485381 -0.6964727 -0.6186654 -0.6476252 4.5177719 -0.1624198 0.1023013 0.5445569 3.9598590 6 Bi 4.3485381 -0.6964727 -0.6186654 -0.6476252 4.5177719 -0.1624198 0.1023013 0.5445569 3.9598590 7 Bi 5.0574749 0.2383204 0.1686730 0.2871678 3.8088351 0.6169899 0.4204495 -0.3608740 3.9598590 8 Bi 3.8934520 0.3848812 0.4499924 0.4337286 4.9728580 -0.4545701 -0.5227508 -0.1836829 3.9598590 9 O -2.0430107 0.3565744 0.0661705 0.1498627 -2.5789074 -0.1498342 0.1003373 -0.6236311 -3.3123575 10 O -2.2256396 -0.2553035 0.0966750 -0.4620152 -2.3962786 0.1322224 0.4899117 0.3987101 -3.3123575 11 O -3.4359350 0.0013656 -0.1554638 0.2876824 -3.3000612 -0.2342356 0.1486921 -0.0368472 -1.9036528 12 O -2.6642270 0.2087967 -0.1628455 0.0020849 -1.9576912 0.0176117 -0.5902490 0.2249209 -3.3123575 13 O -3.4591910 -0.2742555 -0.1251221 0.0120613 -3.2768051 0.2517534 -0.1062566 -0.1103475 -1.9036528 14 O -3.2088682 -0.1565853 0.2805859 0.1297315 -3.5271280 -0.0175178 -0.0424355 0.1471947 -1.9036528 15 O -3.2088682 -0.1565853 0.2805859 0.1297315 -3.5271280 -0.0175178 -0.0424355 0.1471947 -1.9036528 16 O -3.4591910 -0.2742555 -0.1251221 0.0120613 -3.2768051 0.2517534 -0.1062566 -0.1103475 -1.9036528 17 O -2.6642270 0.2087967 -0.1628455 0.0020849 -1.9576912 0.0176117 -0.5902490 0.2249209 -3.3123575 18 O -3.4359350 0.0013656 -0.1554638 0.2876824 -3.3000612 -0.2342356 0.1486921 -0.0368472 -1.9036528 19 O -2.2256396 -0.2553035 0.0966750 -0.4620152 -2.3962786 0.1322224 0.4899117 0.3987101 -3.3123575 20 O -2.0430107 0.3565744 0.0661705 0.1498627 -2.5789074 -0.1498342 0.1003373 -0.6236311 -3.3123575 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 299, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 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 1.492 ( 0.000 0.000 0.000) 0.000 1.492 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.461 ( 0.000 0.000 0.000) 0.000 3.461 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.362 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.621 ( 0.000 0.000 0.000) 0.000 7.621 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.212 ( 0.000 0.000 0.000) 0.000 8.914 ( 0.000 0.000 0.000) 0.000 9.542 ( 0.000 0.000 0.000) 0.000 9.542 ( 0.000 0.000 0.000) 0.000 9.976 ( 0.000 0.000 0.000) 0.000 10.259 ( 0.000 0.000 0.000) 0.000 10.580 ( 0.000 0.000 0.000) 0.000 10.580 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 12.161 ( 0.000 0.000 0.000) 0.000 12.161 ( 0.000 0.000 0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 13.726 ( 0.000 0.000 0.000) 0.000 15.383 ( 0.000 0.000 0.000) 0.000 15.383 ( 0.000 0.000 0.000) 0.000 15.537 ( 0.000 0.000 0.000) 0.000 15.537 ( 0.000 0.000 0.000) 0.000 16.167 ( 0.000 0.000 0.000) 0.000 17.487 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( 12.193 5.106 -2.046) 13.377 0.324 ( -0.053 19.320 13.865) 23.781 0.689 ( 27.647 8.366 15.044) 32.568 1.489 ( -3.987 1.995 0.063) 4.458 1.616 ( 3.381 -2.854 2.819) 5.247 1.762 ( 0.378 -0.659 2.306) 2.428 2.042 ( -5.740 -1.301 -12.089) 13.445 2.236 ( -6.671 1.843 -3.931) 7.959 2.315 ( -3.542 -0.081 -0.936) 3.665 2.395 ( 7.786 -8.612 -2.087) 11.795 2.455 ( -0.936 1.658 -17.109) 17.215 2.559 ( 5.794 8.161 -3.669) 10.660 2.652 ( -6.735 -1.026 3.588) 7.700 3.138 ( -10.760 -8.103 -8.507) 15.931 3.465 ( 6.253 -8.245 5.805) 11.865 3.519 ( 0.252 8.945 6.505) 11.063 3.660 ( -1.062 -3.613 1.025) 3.903 3.678 ( 2.426 4.690 4.147) 6.714 3.963 ( -8.461 -1.770 -6.554) 10.848 4.071 ( -2.391 -5.848 -0.700) 6.357 4.294 ( 2.205 -4.519 -10.906) 12.009 4.506 ( -4.324 6.780 3.611) 8.815 4.526 ( 4.613 11.971 -12.469) 17.890 4.708 ( 10.969 -0.063 5.590) 12.311 5.501 ( -8.712 -9.345 -6.564) 14.364 5.547 ( -8.665 -5.403 2.017) 10.409 5.693 ( 2.092 -1.179 -10.676) 10.943 5.772 ( -1.362 4.326 -10.510) 11.447 5.950 ( 3.175 0.230 6.278) 7.039 6.196 ( 9.435 0.307 2.193) 9.691 6.285 ( 3.356 -0.946 -1.275) 3.713 6.352 ( -3.499 7.842 -4.902) 9.888 7.089 ( -17.748 -8.912 13.120) 23.802 7.332 ( -9.947 -5.430 -10.178) 15.233 7.550 ( 4.957 2.546 -5.970) 8.167 7.574 ( -3.924 -0.576 1.556) 4.261 7.753 ( 11.980 1.014 12.026) 17.005 8.082 ( -3.371 -2.257 0.443) 4.081 8.126 ( 1.885 -1.133 -5.260) 5.701 8.170 ( 2.978 0.105 -0.069) 2.981 8.903 ( 12.100 11.612 -8.313) 18.717 9.372 ( -2.153 5.976 2.894) 6.980 9.608 ( 7.016 0.317 0.398) 7.035 10.057 ( 7.422 4.076 4.743) 9.706 10.204 ( -7.106 -4.552 2.810) 8.894 10.499 ( -5.953 1.494 -4.413) 7.560 10.543 ( -3.397 -2.311 -0.235) 4.115 10.872 ( 37.258 15.679 -35.916) 54.073 12.154 ( 1.465 0.461 -2.482) 2.919 12.198 ( 0.201 2.276 8.884) 9.173 12.582 ( -2.301 -5.618 0.213) 6.075 13.027 ( -2.660 -2.132 -0.309) 3.423 13.075 ( 0.386 1.999 1.177) 2.352 14.434 ( -35.433 -21.730 59.745) 72.781 15.143 ( -13.970 -9.460 -6.131) 17.951 15.539 ( -2.811 0.849 3.349) 4.454 15.575 ( -1.198 10.749 -1.195) 10.881 15.642 ( 5.490 -7.619 3.651) 10.075 16.296 ( 10.348 6.090 0.705) 12.027 17.549 ( 3.891 2.171 3.267) 5.525 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 11.447 5.890 3.009) 13.221 0.676 ( 4.317 16.600 12.583) 21.273 1.223 ( 9.176 5.706 4.647) 11.762 1.392 ( 2.197 -5.630 -5.066) 7.886 1.573 ( -1.993 1.966 -3.530) 4.505 1.776 ( -2.108 -3.890 -1.257) 4.599 1.889 ( -4.567 2.847 0.589) 5.413 2.076 ( -7.109 -2.453 -3.987) 8.511 2.245 ( -0.860 -3.525 -0.538) 3.668 2.314 ( 1.144 3.557 -8.568) 9.348 2.444 ( 8.522 -3.144 2.403) 9.396 2.612 ( -3.453 1.634 2.027) 4.324 2.662 ( 3.901 6.463 -2.593) 7.982 2.821 ( -11.524 -4.053 -6.524) 13.848 3.312 ( -4.160 -7.208 -13.079) 15.502 3.480 ( -15.015 -9.221 -5.943) 18.596 3.624 ( 4.227 1.298 1.148) 4.568 3.815 ( -3.555 4.504 11.190) 12.575 3.956 ( 8.861 -8.260 0.054) 12.114 4.040 ( 1.164 4.019 1.652) 4.499 4.099 ( -1.459 -7.388 -6.930) 10.234 4.527 ( 2.134 9.272 -9.760) 13.630 4.573 ( -0.663 5.631 3.777) 6.813 4.907 ( 5.780 3.043 3.049) 7.209 5.245 ( -9.685 -3.895 -1.388) 10.531 5.409 ( 1.949 -13.567 -12.751) 18.721 5.477 ( -14.928 3.041 3.323) 15.593 5.740 ( 2.721 6.895 -4.054) 8.449 6.046 ( 1.976 -3.031 3.158) 4.803 6.240 ( -3.588 -3.508 2.507) 5.609 6.274 ( -0.056 -1.327 -1.878) 2.300 6.362 ( -1.396 5.165 1.005) 5.444 6.889 ( -16.288 -14.256 7.009) 22.752 7.043 ( -0.941 -6.376 -10.331) 12.177 7.529 ( -3.639 5.278 -0.951) 6.481 7.584 ( 1.752 2.985 -1.024) 3.609 8.012 ( -0.767 -2.574 -2.197) 3.469 8.087 ( 4.471 -7.633 18.317) 20.341 8.116 ( 5.233 8.576 -4.420) 10.976 8.275 ( 12.622 1.775 -4.212) 13.424 9.020 ( 5.300 8.280 -4.034) 10.626 9.430 ( 2.503 7.555 -3.445) 8.672 9.681 ( 5.200 -0.020 -4.593) 6.938 10.063 ( -11.959 -5.821 5.813) 14.515 10.305 ( 1.457 -1.218 6.316) 6.596 10.419 ( 4.303 7.168 -0.091) 8.361 10.455 ( -5.744 -1.587 0.364) 5.971 11.125 ( 24.932 10.335 -12.297) 29.659 12.156 ( 2.461 1.756 -2.844) 4.151 12.333 ( 0.713 3.828 5.596) 6.818 12.476 ( -3.032 -10.174 0.023) 10.616 12.945 ( -4.316 -2.943 -0.755) 5.278 13.127 ( 1.120 3.139 1.705) 3.744 14.518 ( -10.649 -9.613 22.310) 26.525 14.790 ( -15.060 -6.559 -3.068) 16.710 15.552 ( -0.426 -0.295 1.563) 1.646 15.632 ( -1.282 8.502 0.026) 8.599 15.696 ( 4.820 -4.798 1.451) 6.954 16.500 ( 8.353 5.285 1.465) 9.992 17.687 ( 4.979 2.572 3.710) 6.721 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 12.782 5.555 7.575) 15.862 0.971 ( 1.124 10.176 2.675) 10.582 1.080 ( -10.207 -7.725 0.062) 12.801 1.338 ( 5.849 4.853 -9.427) 12.109 1.555 ( -9.860 -4.643 -3.102) 11.332 1.759 ( 1.612 -7.780 2.133) 8.227 1.832 ( -1.446 6.828 1.907) 7.235 2.005 ( -0.780 0.696 1.188) 1.583 2.209 ( 0.642 -0.948 -0.987) 1.512 2.320 ( 6.596 1.095 -2.717) 7.218 2.552 ( -4.159 -5.526 -3.155) 7.602 2.621 ( 4.781 3.715 -0.030) 6.055 2.690 ( -0.096 7.723 6.253) 9.938 2.754 ( 4.534 2.865 2.455) 5.899 2.970 ( -10.890 -11.139 -10.714) 18.906 3.130 ( -8.751 -4.447 -5.641) 11.322 3.755 ( 3.385 5.109 2.962) 6.807 3.851 ( -0.224 -3.873 -0.852) 3.972 3.915 ( -1.697 -1.541 -3.925) 4.545 4.007 ( 1.865 -1.991 2.854) 3.948 4.176 ( 3.256 -2.232 2.713) 4.790 4.493 ( -0.759 4.405 -4.328) 6.222 4.656 ( 1.734 2.842 1.541) 3.669 4.972 ( -1.359 2.426 -0.126) 2.784 5.063 ( -5.795 -3.617 -6.103) 9.160 5.227 ( -1.371 -2.554 2.563) 3.869 5.432 ( -2.496 -0.580 2.037) 3.274 5.832 ( 5.057 7.255 -1.729) 9.011 6.064 ( 1.557 0.414 -0.855) 1.824 6.167 ( -6.090 -5.903 4.024) 9.387 6.211 ( -0.875 -1.605 -4.131) 4.517 6.365 ( -1.694 1.389 0.376) 2.223 6.692 ( -4.341 -7.007 1.452) 8.370 6.912 ( -0.266 -3.070 -3.051) 4.336 7.525 ( -1.002 2.618 -0.264) 2.816 7.611 ( -0.668 1.985 0.567) 2.170 7.961 ( -1.136 -1.046 -0.444) 1.607 8.178 ( 1.444 2.591 1.101) 3.164 8.298 ( 1.547 -0.242 9.192) 9.325 8.374 ( 8.699 -2.929 -6.378) 11.177 9.147 ( 5.334 9.718 -0.725) 11.109 9.467 ( -1.046 3.708 1.398) 4.098 9.594 ( 0.368 -7.996 -8.161) 11.431 9.982 ( -4.810 -0.480 4.571) 6.653 10.263 ( -0.512 -1.355 -1.897) 2.386 10.374 ( -4.566 0.329 1.136) 4.716 10.647 ( 5.014 3.854 4.175) 7.578 11.365 ( 10.861 5.494 -3.472) 12.657 12.174 ( 1.629 0.994 -1.179) 2.243 12.346 ( -2.771 -3.769 -0.970) 4.778 12.418 ( -0.032 -0.838 2.928) 3.046 12.864 ( -2.243 -1.558 -0.482) 2.773 13.187 ( 0.999 1.767 1.010) 2.267 14.465 ( -4.915 -4.824 -0.118) 6.887 14.646 ( -4.446 -1.003 5.044) 6.798 15.560 ( 0.160 -0.373 0.397) 0.568 15.671 ( -0.633 3.370 0.205) 3.436 15.731 ( 1.968 -1.654 0.348) 2.594 16.632 ( 3.090 2.082 0.822) 3.816 17.793 ( 2.206 1.070 1.521) 2.885 ======================= Grid point 8 (5/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( -5.792 -4.738 17.174) 18.734 0.499 ( 16.566 1.722 15.282) 22.604 0.924 ( -5.184 22.787 16.620) 28.676 1.503 ( -1.143 -6.673 0.130) 6.772 1.705 ( 1.375 0.386 4.482) 4.704 1.803 ( 3.707 0.327 -1.255) 3.928 1.827 ( -3.335 1.438 -10.040) 10.677 2.128 ( 3.365 -4.087 -6.163) 8.124 2.287 ( -3.342 -3.010 -4.952) 6.690 2.348 ( 0.229 4.176 0.243) 4.190 2.402 ( -4.835 2.718 -2.729) 6.181 2.491 ( 7.007 9.987 -7.186) 14.159 2.686 ( 2.223 -8.935 1.335) 9.304 3.103 ( -2.254 -5.158 -9.678) 11.195 3.367 ( 3.389 2.206 -7.398) 8.431 3.416 ( -6.599 -9.348 4.223) 12.197 3.680 ( 1.116 -0.949 -2.991) 3.331 3.871 ( -0.431 2.811 -7.489) 8.011 3.953 ( 2.105 -4.836 14.222) 15.168 4.075 ( -2.235 1.175 -1.159) 2.778 4.139 ( -8.254 -3.729 -8.962) 12.742 4.270 ( 9.210 3.008 -9.438) 13.525 4.570 ( 5.148 4.665 -1.014) 7.021 4.744 ( -2.286 4.030 3.975) 6.104 5.319 ( -3.037 -3.217 -13.660) 14.358 5.506 ( -0.433 -0.307 -11.459) 11.471 5.599 ( -1.519 8.578 -11.541) 14.460 5.690 ( 4.152 -5.248 0.813) 6.741 6.100 ( -1.030 -0.906 7.021) 7.153 6.190 ( -0.449 0.446 8.221) 8.246 6.227 ( 0.692 -5.040 -3.468) 6.157 6.394 ( 0.244 11.444 -4.881) 12.443 7.097 ( 0.928 -11.801 -7.570) 14.051 7.295 ( 4.270 8.136 -8.068) 12.228 7.336 ( -5.192 -17.636 -2.543) 18.559 7.545 ( 0.270 -8.082 3.922) 8.987 7.890 ( -8.112 14.980 4.655) 17.660 7.976 ( 3.763 5.956 -12.538) 14.382 8.156 ( 2.784 -7.732 7.593) 11.188 8.364 ( -5.064 -1.127 12.185) 13.244 8.888 ( 2.798 17.379 -0.113) 17.603 9.385 ( 12.218 -5.106 -1.241) 13.300 9.620 ( -8.520 5.799 3.880) 11.012 10.101 ( 0.872 8.883 7.267) 11.510 10.261 ( -0.643 -6.438 4.856) 8.090 10.406 ( 2.452 6.924 -10.120) 12.505 10.586 ( 0.174 -0.456 1.353) 1.438 10.617 ( -3.720 18.613 -4.449) 19.496 12.092 ( -0.151 -6.686 0.564) 6.712 12.307 ( 1.211 8.365 4.413) 9.535 12.638 ( -2.574 -2.845 3.482) 5.181 13.038 ( -1.859 -2.335 -0.038) 2.985 13.069 ( 2.750 1.128 -0.128) 2.975 14.883 ( -2.382 -33.926 17.570) 38.280 15.220 ( -2.327 -9.673 -2.870) 10.355 15.385 ( 5.036 -7.954 -1.463) 9.527 15.555 ( 0.689 -5.929 3.200) 6.773 15.764 ( -0.858 5.957 2.432) 6.491 16.310 ( -0.007 12.692 1.258) 12.754 17.631 ( -0.077 2.870 8.528) 8.999 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 2.259 4.329 15.248) 16.011 0.878 ( 9.072 2.804 11.914) 15.235 1.188 ( 5.283 8.735 -4.749) 11.259 1.418 ( -9.418 -2.048 6.747) 11.765 1.652 ( -5.839 4.133 4.834) 8.634 1.723 ( 0.173 -5.919 -1.934) 6.229 1.987 ( 6.674 1.290 6.598) 9.473 2.072 ( 1.243 -6.712 -4.107) 7.967 2.124 ( -6.635 -1.280 -2.358) 7.157 2.322 ( -2.484 5.078 -6.829) 8.866 2.380 ( -0.476 -1.592 0.906) 1.893 2.604 ( 5.911 7.380 -3.188) 9.978 2.653 ( 1.672 -0.284 1.360) 2.174 2.924 ( -8.797 -0.707 -1.758) 8.999 3.232 ( -12.054 -7.577 -4.024) 14.795 3.398 ( 10.578 -2.855 -6.248) 12.613 3.540 ( 0.428 -9.336 -6.445) 11.352 3.727 ( -3.542 -3.524 -6.994) 8.595 3.922 ( -0.632 3.150 -5.825) 6.652 4.028 ( 0.015 -6.808 3.096) 7.479 4.157 ( 1.434 -1.157 7.107) 7.342 4.351 ( 8.059 2.958 -4.313) 9.607 4.668 ( 6.821 6.727 -3.855) 10.326 4.818 ( 3.897 -1.382 1.162) 4.295 5.143 ( -0.032 0.396 -11.436) 11.443 5.300 ( -7.396 5.845 -11.032) 14.511 5.547 ( 6.648 4.782 -8.816) 12.032 5.706 ( -0.168 -1.274 -1.102) 1.693 6.055 ( -2.871 -5.096 -0.094) 5.850 6.082 ( 1.158 -5.905 -12.006) 13.429 6.285 ( 1.407 -1.954 1.843) 3.032 6.420 ( 0.772 1.049 -0.876) 1.569 6.861 ( -7.452 -7.388 -12.270) 16.146 7.015 ( -6.046 -22.834 6.803) 24.581 7.452 ( 5.472 17.278 -6.066) 19.112 7.538 ( -0.013 0.084 -1.040) 1.043 7.874 ( 9.377 -10.881 -1.495) 14.442 8.117 ( 1.983 16.307 1.864) 16.533 8.220 ( 0.853 -7.394 10.345) 12.744 8.379 ( -8.901 1.762 8.338) 12.322 8.999 ( 1.700 8.413 -1.855) 8.782 9.524 ( 8.981 -1.253 -3.660) 9.779 9.618 ( -9.240 12.041 5.881) 16.277 10.204 ( -3.461 -8.911 3.253) 10.098 10.315 ( -3.215 3.324 0.582) 4.661 10.370 ( 5.845 1.598 0.682) 6.098 10.547 ( -1.428 2.423 3.425) 4.432 10.890 ( 13.983 20.637 0.682) 24.937 12.053 ( 2.392 -7.669 0.142) 8.035 12.444 ( -0.625 6.798 3.033) 7.470 12.586 ( -8.383 -1.535 6.543) 10.745 12.976 ( -3.561 -2.040 -0.441) 4.127 13.126 ( 3.294 1.456 0.107) 3.603 14.721 ( -10.073 -15.043 6.063) 19.092 14.953 ( -14.279 -12.856 2.338) 19.355 15.422 ( 8.476 -4.649 -5.030) 10.898 15.582 ( 5.448 -4.244 1.767) 7.129 15.803 ( -3.859 5.856 1.636) 7.202 16.475 ( 5.200 10.668 0.946) 11.906 17.776 ( -0.583 3.876 9.263) 10.058 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 4.948 7.944 9.863) 13.597 1.059 ( -2.471 2.870 -0.040) 3.788 1.198 ( -8.239 -8.740 -2.351) 12.239 1.268 ( -0.163 -0.365 9.637) 9.645 1.641 ( -3.918 -5.509 1.995) 7.049 1.728 ( -3.081 -1.740 1.496) 3.842 1.875 ( -6.229 -3.285 -2.156) 7.365 2.131 ( -1.996 5.784 3.243) 6.925 2.195 ( 2.072 -5.565 7.850) 9.843 2.271 ( 4.584 5.603 -1.229) 7.343 2.378 ( 9.315 -5.622 -0.640) 10.899 2.638 ( -2.014 5.295 -2.246) 6.094 2.770 ( -2.327 0.498 0.615) 2.458 2.866 ( 2.087 7.861 7.499) 11.063 2.928 ( -10.507 -5.229 -6.038) 13.198 3.184 ( -13.012 -1.459 -5.791) 14.317 3.605 ( 12.543 -5.708 -6.298) 15.152 3.682 ( 9.674 -3.784 -3.004) 10.814 3.886 ( -2.841 3.364 1.712) 4.725 4.028 ( 3.906 0.521 -2.939) 4.916 4.232 ( -0.214 -3.300 6.266) 7.085 4.430 ( 4.295 0.947 -0.227) 4.404 4.748 ( 1.725 2.352 0.590) 2.976 4.828 ( 6.681 -6.601 -6.198) 11.252 4.949 ( -3.420 5.456 -14.688) 16.037 5.203 ( -1.024 2.651 -4.429) 5.262 5.624 ( -3.458 5.803 -5.174) 8.509 5.669 ( 13.726 5.001 -3.267) 14.969 5.932 ( 8.947 -2.022 -15.933) 18.385 6.014 ( 2.574 -7.323 1.830) 7.975 6.196 ( -8.343 -12.169 0.055) 14.755 6.365 ( 1.047 3.539 -8.808) 9.550 6.615 ( 0.575 -9.196 -3.094) 9.719 6.967 ( -0.607 -13.432 11.495) 17.689 7.385 ( -2.008 4.063 -10.174) 11.138 7.646 ( 2.468 13.330 -5.235) 14.532 7.923 ( 5.135 -7.018 4.368) 9.732 8.216 ( -1.045 -1.434 1.678) 2.442 8.333 ( -1.328 -0.446 4.230) 4.456 8.419 ( 1.791 1.597 10.483) 10.754 9.105 ( 6.906 7.145 -0.817) 9.971 9.464 ( -3.405 -3.273 -5.199) 7.023 9.732 ( -6.432 14.822 10.647) 19.350 10.148 ( 1.538 -5.230 -5.708) 7.893 10.166 ( -12.476 -1.292 5.221) 13.586 10.417 ( -0.189 -4.444 0.919) 4.542 10.681 ( 1.584 4.693 3.149) 5.870 11.278 ( 12.650 19.206 1.415) 23.041 12.036 ( 5.145 -10.576 0.389) 11.768 12.418 ( -7.254 -3.083 4.657) 9.155 12.615 ( -6.550 10.316 4.610) 13.060 12.906 ( -4.093 0.018 0.405) 4.113 13.174 ( 2.099 -0.578 0.026) 2.177 14.537 ( -8.926 -2.720 -0.157) 9.333 14.711 ( -8.020 -12.716 0.501) 15.042 15.426 ( 6.238 -6.721 -2.810) 9.591 15.659 ( 6.062 -1.620 0.099) 6.276 15.799 ( -4.659 5.150 0.153) 6.946 16.612 ( 3.187 5.874 -0.397) 6.695 17.887 ( -3.627 3.234 7.032) 8.548 ======================= Grid point 11 (8/60) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -13.059 -0.341 -3.500) 13.524 0.920 ( -8.252 -12.002 -1.537) 14.646 1.107 ( 1.463 1.608 11.491) 11.695 1.474 ( 4.608 1.588 7.256) 8.741 1.575 ( -1.844 -2.911 8.972) 9.611 1.728 ( 2.576 -3.513 0.410) 4.376 1.812 ( -0.918 5.084 -1.607) 5.410 2.086 ( -10.228 0.457 1.720) 10.382 2.195 ( 2.553 -4.091 -0.310) 4.832 2.423 ( 9.037 -6.559 -1.103) 11.221 2.515 ( -6.711 6.590 5.710) 11.004 2.612 ( 3.359 -0.462 5.298) 6.290 2.622 ( -3.335 -5.468 -7.589) 9.931 2.895 ( -13.013 4.382 2.126) 13.895 3.000 ( 10.730 11.310 3.966) 16.087 3.158 ( 7.087 3.629 9.890) 12.697 3.567 ( 5.304 -7.081 -10.536) 13.758 3.778 ( 12.383 -3.133 1.208) 12.830 3.893 ( -4.390 6.159 -3.525) 8.345 4.120 ( 4.532 7.061 0.067) 8.390 4.247 ( -7.477 0.650 4.125) 8.564 4.437 ( 1.687 -7.076 -0.319) 7.281 4.712 ( 0.146 -7.027 -5.561) 8.962 4.787 ( 6.653 0.897 -7.157) 9.813 4.942 ( 12.532 1.096 0.781) 12.604 5.144 ( -0.765 4.504 -5.056) 6.814 5.567 ( -6.960 4.977 -0.019) 8.557 5.847 ( 6.062 -5.292 -1.820) 8.251 5.934 ( 10.961 -2.438 -6.202) 12.828 6.016 ( 8.249 -0.685 -4.248) 9.303 6.035 ( 5.255 -4.905 -1.794) 7.409 6.359 ( 4.177 7.787 -5.182) 10.244 6.564 ( 5.661 -7.684 -2.441) 9.852 7.032 ( 1.793 -4.696 8.704) 10.051 7.278 ( 4.168 2.234 -11.718) 12.636 7.663 ( -3.889 2.576 1.629) 4.941 7.989 ( -0.417 0.295 2.693) 2.742 8.145 ( -1.721 -0.609 -7.131) 7.361 8.300 ( -5.180 -0.587 0.707) 5.261 8.608 ( 0.509 -1.611 11.078) 11.206 9.189 ( -4.952 -4.604 5.120) 8.481 9.415 ( 8.058 6.653 -3.130) 10.909 9.903 ( -10.232 11.333 13.853) 20.617 9.946 ( -8.500 -1.109 -5.324) 10.091 10.169 ( 5.070 -1.588 -1.191) 5.445 10.374 ( -3.011 -4.254 3.034) 6.031 10.646 ( -6.433 -1.899 -4.155) 7.890 11.521 ( -0.895 10.073 2.856) 10.508 12.033 ( 7.278 -12.902 0.014) 14.813 12.408 ( -2.939 0.524 6.741) 7.372 12.623 ( -9.929 12.171 1.603) 15.789 12.894 ( -1.821 2.896 2.433) 4.198 13.154 ( -0.868 -3.939 -1.721) 4.385 14.441 ( -2.684 -0.543 -8.658) 9.081 14.539 ( -0.026 -3.337 0.951) 3.470 15.416 ( 5.328 -8.293 -2.238) 10.108 15.715 ( 2.044 -2.051 1.502) 3.262 15.763 ( -3.852 4.978 -2.298) 6.701 16.642 ( -1.694 1.530 -1.279) 2.617 17.891 ( -8.037 1.325 3.392) 8.824 ======================= Grid point 12 (9/60) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -15.885 -1.580 -0.072) 15.963 0.612 ( -13.518 -14.375 3.895) 20.113 1.336 ( -2.277 6.234 8.316) 10.640 1.514 ( -8.454 -5.018 -3.859) 10.562 1.615 ( -0.435 1.411 5.679) 5.868 1.759 ( 2.155 0.097 0.013) 2.157 1.879 ( -1.474 3.696 0.531) 4.014 2.026 ( 6.354 3.120 1.838) 7.314 2.176 ( 3.849 -2.100 -2.706) 5.152 2.418 ( 0.728 -4.711 -5.936) 7.613 2.486 ( 5.925 -6.102 0.782) 8.541 2.547 ( -3.420 2.552 12.488) 13.197 2.737 ( -6.564 -0.679 2.425) 7.031 2.920 ( 1.958 12.386 11.299) 16.879 3.343 ( 14.945 -1.299 -1.383) 15.065 3.417 ( 8.439 0.552 -9.990) 13.089 3.473 ( 7.076 2.218 12.521) 14.553 3.759 ( -6.897 0.283 -8.796) 11.182 3.920 ( 3.182 -2.861 -2.098) 4.766 4.141 ( -6.570 -0.853 0.085) 6.626 4.184 ( 0.784 11.284 -0.310) 11.315 4.446 ( 4.521 -5.818 2.240) 7.701 4.626 ( 1.115 -7.222 0.786) 7.350 4.844 ( 2.206 -2.619 0.791) 3.514 5.084 ( 11.934 3.367 -7.135) 14.306 5.276 ( 10.900 4.220 5.360) 12.858 5.597 ( 4.661 9.624 0.696) 10.716 5.757 ( -2.477 -9.751 5.935) 11.681 5.996 ( 6.099 -5.608 -4.460) 9.409 6.084 ( 11.556 -0.695 -7.592) 13.844 6.122 ( 7.862 4.083 -3.114) 9.391 6.413 ( -1.647 -2.454 3.899) 4.893 6.622 ( 12.683 4.162 -6.596) 14.889 7.118 ( 8.040 4.448 -6.909) 11.496 7.328 ( 10.410 -1.260 5.367) 11.779 7.653 ( -5.982 -4.134 8.813) 11.426 7.948 ( -4.498 -0.627 -8.795) 9.898 7.981 ( -1.139 2.314 -10.569) 10.879 8.231 ( -5.332 -2.065 3.164) 6.535 8.626 ( -13.018 -0.685 6.627) 14.624 9.163 ( -5.062 0.840 6.406) 8.208 9.553 ( -1.628 -0.623 4.878) 5.180 9.796 ( -1.886 1.363 -1.345) 2.688 9.949 ( -7.376 2.110 4.928) 9.118 10.197 ( 3.240 1.742 -9.131) 9.844 10.398 ( 1.935 0.950 4.827) 5.286 10.456 ( -5.995 -4.838 -0.642) 7.731 11.538 ( -11.827 3.265 9.329) 15.413 12.015 ( 6.717 -11.571 -3.158) 13.747 12.402 ( -7.956 -0.385 1.740) 8.153 12.661 ( -5.110 13.585 4.108) 15.085 12.943 ( 0.294 1.645 2.961) 3.400 13.070 ( 0.009 -4.028 -3.419) 5.283 14.160 ( -4.252 -4.132 -19.916) 20.780 14.712 ( 12.385 6.737 3.738) 14.586 15.389 ( 4.406 -7.616 -1.758) 8.972 15.686 ( -4.956 -2.116 1.524) 5.600 15.748 ( -0.517 3.558 -2.348) 4.294 16.568 ( -6.775 -0.666 -0.698) 6.843 17.777 ( -10.890 -0.362 0.321) 10.900 ======================= Grid point 13 (10/60) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -13.742 -1.389 10.139) 17.134 0.423 ( -14.286 -0.904 1.463) 14.389 1.001 ( -34.273 0.970 -3.505) 34.465 1.525 ( -1.162 0.581 6.795) 6.918 1.587 ( 0.346 -0.688 -7.944) 7.981 1.737 ( 1.383 0.015 -1.418) 1.981 2.002 ( 8.789 -0.525 2.827) 9.248 2.196 ( 6.882 -3.283 4.005) 8.613 2.256 ( 5.509 9.779 -1.720) 11.355 2.371 ( 4.816 -4.805 -4.478) 8.144 2.540 ( 4.541 -3.713 1.371) 6.024 2.655 ( -5.972 0.554 3.627) 7.010 2.709 ( -1.148 0.204 1.118) 1.615 3.206 ( 4.571 -6.366 -9.906) 12.632 3.211 ( 6.172 14.938 6.256) 17.331 3.440 ( -5.884 -8.639 -1.511) 10.561 3.644 ( 4.020 -5.661 3.557) 7.801 3.780 ( 6.398 11.551 3.057) 13.554 3.852 ( 6.379 -2.493 -7.664) 10.278 4.053 ( -2.068 -5.042 0.144) 5.452 4.312 ( 4.241 8.792 -5.305) 11.110 4.532 ( 2.179 -2.709 8.193) 8.900 4.610 ( -3.413 -3.512 5.769) 7.567 4.763 ( -6.811 -0.011 -3.026) 7.453 5.301 ( 18.137 6.501 -3.721) 19.623 5.439 ( 8.633 -8.358 2.766) 12.331 5.740 ( 4.826 4.689 1.686) 6.937 5.813 ( 1.356 1.494 -4.547) 4.975 5.956 ( -0.356 -5.703 2.443) 6.214 6.127 ( 6.336 0.040 -5.524) 8.406 6.313 ( 15.010 3.193 6.312) 16.593 6.381 ( -3.986 -3.992 1.784) 5.917 6.741 ( 9.953 3.819 -3.002) 11.075 7.278 ( 19.988 0.381 -3.163) 20.240 7.570 ( 1.465 0.285 13.983) 14.062 7.632 ( -5.472 -3.171 3.397) 7.178 7.647 ( -8.205 1.734 -14.387) 16.652 7.952 ( 5.919 1.164 -2.657) 6.591 8.196 ( -2.096 -1.047 0.979) 2.539 8.424 ( -17.156 -1.040 -2.395) 17.354 9.149 ( -9.004 1.032 1.567) 9.197 9.475 ( -9.487 -2.132 2.186) 9.966 9.722 ( -16.077 3.186 2.256) 16.545 10.014 ( 9.662 1.656 -1.424) 9.906 10.101 ( 0.851 -2.338 -1.212) 2.767 10.458 ( 3.821 0.077 2.533) 4.585 10.496 ( 3.620 -0.440 1.647) 4.001 11.503 ( -9.429 0.823 -3.684) 10.157 11.981 ( 2.906 0.193 1.472) 3.263 12.282 ( -8.240 -2.519 1.437) 8.735 12.660 ( -4.027 1.880 -7.851) 9.021 12.991 ( 3.776 -1.116 -0.126) 3.940 13.054 ( -0.054 0.593 3.244) 3.298 13.850 ( -8.310 -0.032 0.273) 8.315 15.003 ( 17.932 0.400 -0.973) 17.963 15.410 ( 4.098 0.265 2.775) 4.957 15.618 ( -4.097 -1.832 1.046) 4.608 15.708 ( -4.213 1.160 -2.039) 4.822 16.433 ( -11.023 0.058 0.295) 11.027 17.622 ( -9.260 0.011 -0.155) 9.261 ======================= Grid point 15 (11/60) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 3.310 -5.838 8.203) 10.599 0.617 ( -8.291 -2.022 18.504) 20.377 1.168 ( -2.307 4.332 -10.308) 11.417 1.473 ( 13.102 -3.260 0.161) 13.503 1.593 ( -4.859 5.921 11.818) 14.083 1.809 ( 3.166 -5.886 0.730) 6.723 1.916 ( -1.401 -0.948 5.745) 5.989 2.041 ( -1.186 1.058 -4.621) 4.887 2.242 ( 11.157 -0.452 -2.146) 11.371 2.297 ( -4.107 2.470 1.642) 5.066 2.440 ( -5.059 4.583 -4.206) 8.018 2.527 ( -5.465 -2.449 -0.684) 6.028 2.601 ( -0.739 0.677 0.467) 1.106 2.857 ( 11.075 -5.455 -5.097) 13.356 3.251 ( 4.517 -4.499 -7.885) 10.141 3.480 ( -3.363 -0.324 -3.428) 4.813 3.578 ( 4.388 -6.689 -5.732) 9.841 3.705 ( -3.744 -3.128 -6.100) 7.811 4.000 ( 1.716 1.916 -0.826) 2.701 4.091 ( -8.780 -2.002 -4.737) 10.175 4.151 ( 5.766 1.603 -1.301) 6.124 4.255 ( -9.555 -1.523 4.193) 10.545 4.544 ( -0.478 2.214 -1.144) 2.537 4.852 ( -6.058 1.212 -0.384) 6.190 5.166 ( 1.443 1.475 -10.960) 11.152 5.414 ( 0.584 0.555 -5.972) 6.026 5.460 ( 2.795 2.264 -8.827) 9.531 5.603 ( 0.965 -3.578 -3.201) 4.896 6.042 ( 3.347 -5.328 -5.286) 8.218 6.115 ( -8.391 -8.717 -7.018) 13.987 6.336 ( 0.357 -4.460 7.302) 8.564 6.379 ( 2.524 7.531 -7.910) 11.210 6.916 ( -2.798 -6.443 -8.597) 11.102 7.097 ( 14.907 3.246 -2.770) 15.506 7.344 ( -8.282 -9.984 -0.823) 12.998 7.594 ( -0.929 2.010 4.286) 4.825 7.866 ( -6.958 -1.754 -5.885) 9.280 8.087 ( 4.430 0.690 0.235) 4.490 8.262 ( -8.876 4.774 8.634) 13.271 8.495 ( 5.143 4.597 12.869) 14.601 8.983 ( 3.548 11.232 -0.125) 11.780 9.273 ( -4.508 -2.131 -2.661) 5.652 9.726 ( 2.832 7.064 0.344) 7.618 10.221 ( 9.246 -6.428 4.360) 12.075 10.304 ( -1.651 -5.326 -1.014) 5.667 10.376 ( -9.329 8.341 9.277) 15.578 10.547 ( 7.136 -1.541 3.831) 8.244 10.892 ( -15.430 22.369 -5.837) 27.794 12.066 ( -3.300 -8.147 1.388) 8.899 12.407 ( 2.247 7.314 3.441) 8.390 12.660 ( 5.722 2.508 3.409) 7.117 12.983 ( 4.514 -2.531 -0.890) 5.252 13.092 ( -3.639 -0.192 1.589) 3.975 14.808 ( 5.179 -19.074 10.073) 22.183 14.889 ( 19.526 -5.826 -4.647) 20.900 15.401 ( -10.990 -13.001 -0.001) 17.024 15.577 ( -1.947 1.202 1.107) 2.542 15.797 ( 2.749 5.544 -0.375) 6.199 16.479 ( -5.213 10.473 1.798) 11.836 17.778 ( 0.511 4.011 9.043) 9.906 ======================= Grid point 16 (12/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 10.144 0.756 11.350) 15.241 0.850 ( 6.914 -0.030 17.375) 18.700 1.097 ( 4.234 4.223 -7.844) 9.863 1.593 ( 2.547 -12.145 8.022) 14.776 1.648 ( -7.597 -3.610 2.633) 8.814 1.850 ( 6.602 1.805 2.202) 7.190 1.917 ( -3.447 -2.466 1.239) 4.415 2.050 ( 1.746 -0.672 5.746) 6.043 2.180 ( -8.595 -4.651 -3.791) 10.482 2.317 ( -3.279 8.500 -2.029) 9.334 2.371 ( -0.481 -6.890 -2.589) 7.376 2.548 ( 6.500 7.011 0.934) 9.606 2.696 ( 2.547 10.998 6.672) 13.114 2.896 ( 8.888 -5.630 -1.256) 10.596 3.153 ( 3.031 -5.679 -9.459) 11.441 3.297 ( -7.613 -4.743 -9.472) 13.045 3.465 ( -10.365 -0.837 7.535) 12.842 3.724 ( 6.387 -6.218 -8.939) 12.624 3.795 ( -2.345 -0.310 -3.049) 3.859 3.958 ( -0.886 1.257 -3.299) 3.640 4.158 ( -4.080 -8.106 4.001) 9.918 4.325 ( 7.246 -0.764 1.723) 7.487 4.529 ( 2.273 6.064 -8.294) 10.523 4.795 ( -1.307 1.582 -2.525) 3.253 5.094 ( -2.227 4.685 -7.115) 8.805 5.281 ( -3.034 0.247 -6.319) 7.014 5.424 ( -1.329 15.586 -14.428) 21.280 5.553 ( 5.500 -7.896 -6.227) 11.462 5.808 ( 4.977 -9.051 -12.028) 15.854 5.977 ( 1.101 -9.399 -8.211) 12.529 6.234 ( -2.210 7.973 -11.762) 14.380 6.374 ( -0.441 -2.605 -3.441) 4.338 6.764 ( -2.968 -6.318 -5.111) 8.651 7.039 ( -9.754 -18.696 6.792) 22.155 7.424 ( 14.880 -1.699 6.095) 16.169 7.656 ( -10.274 0.068 -3.049) 10.717 7.719 ( 1.863 18.309 -1.130) 18.438 8.170 ( 5.079 -7.195 4.230) 9.770 8.281 ( -2.357 -2.912 7.101) 8.029 8.600 ( -7.547 -0.212 7.653) 10.750 9.079 ( -4.428 7.287 -0.729) 8.558 9.341 ( 12.428 4.645 -1.024) 13.307 9.798 ( 1.963 4.017 -1.676) 4.775 10.206 ( -5.534 -2.321 1.452) 6.174 10.329 ( 4.353 -3.625 4.109) 6.998 10.517 ( -5.942 6.646 10.530) 13.797 10.616 ( 0.247 3.468 2.520) 4.294 10.994 ( 3.577 24.168 3.252) 24.646 11.976 ( -0.805 -11.243 1.571) 11.381 12.532 ( 0.635 5.616 1.638) 5.885 12.768 ( -2.188 4.496 6.242) 7.998 12.989 ( -0.125 -2.576 0.187) 2.586 13.091 ( 1.165 1.093 0.881) 1.824 14.746 ( -2.479 -16.762 2.995) 17.207 14.990 ( 2.299 -9.659 -1.715) 10.076 15.157 ( 1.534 -8.223 -5.170) 9.834 15.567 ( -1.745 0.637 1.237) 2.232 15.853 ( 1.304 2.637 -0.942) 3.089 16.556 ( -0.608 11.076 1.407) 11.181 17.949 ( 0.048 4.074 10.070) 10.863 ======================= Grid point 17 (13/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.137 6.575 8.072) 10.412 1.080 ( 1.665 -1.075 -5.637) 5.975 1.169 ( 5.270 -3.264 14.118) 15.419 1.468 ( -10.436 -7.249 7.883) 14.953 1.645 ( 0.655 -2.843 5.895) 6.577 1.809 ( -7.675 -1.574 -1.929) 8.069 1.952 ( -9.154 -4.567 0.825) 10.264 2.019 ( 9.482 -7.087 -1.532) 11.937 2.164 ( 10.408 -2.215 4.931) 11.728 2.299 ( -2.232 2.905 -1.864) 4.110 2.337 ( 0.811 -0.284 2.791) 2.920 2.673 ( 1.431 5.397 -1.216) 5.714 2.813 ( -8.505 -5.084 -7.791) 12.605 2.943 ( 5.916 5.483 8.033) 11.384 2.974 ( -5.555 -0.975 -4.534) 7.237 3.238 ( 9.115 1.721 -0.117) 9.277 3.464 ( -10.597 1.893 2.525) 11.057 3.538 ( 2.509 -2.095 2.082) 3.875 3.924 ( 2.873 1.281 -5.014) 5.919 3.991 ( 9.187 0.265 3.847) 9.964 4.053 ( 0.982 -4.762 -2.090) 5.292 4.433 ( 4.675 -7.272 3.498) 9.326 4.531 ( 10.286 3.612 -9.636) 14.550 4.736 ( -1.327 -0.145 -5.471) 5.632 4.913 ( -6.111 7.875 -14.018) 17.201 5.165 ( -0.740 -6.363 -5.036) 8.148 5.379 ( 2.029 15.845 -10.477) 19.104 5.560 ( 13.024 1.338 -9.560) 16.212 5.766 ( 3.185 -8.778 -0.894) 9.380 5.803 ( 5.677 -4.667 -7.652) 10.609 6.143 ( 8.209 2.472 -18.051) 19.983 6.256 ( -5.882 -5.232 -0.200) 7.875 6.543 ( -9.259 -9.116 0.048) 12.993 6.962 ( 1.718 -15.086 9.051) 17.677 7.419 ( -11.380 3.467 -5.170) 12.971 7.725 ( 7.064 6.214 4.817) 10.570 7.877 ( 3.009 19.480 -6.295) 20.692 8.200 ( 0.802 -16.002 8.334) 18.060 8.344 ( 2.385 -8.136 8.032) 11.678 8.565 ( -5.345 -0.975 5.566) 7.779 9.106 ( 0.982 10.262 -1.192) 10.378 9.415 ( 0.603 -1.317 -4.140) 4.386 9.846 ( 8.049 -0.974 -3.435) 8.806 10.164 ( -6.780 6.360 1.613) 9.435 10.397 ( -1.231 -2.751 5.493) 6.265 10.492 ( -11.640 2.935 8.399) 14.651 10.753 ( -1.306 6.542 4.315) 7.945 11.333 ( 8.722 21.911 2.723) 23.739 11.896 ( 1.862 -14.030 0.842) 14.178 12.543 ( -3.864 0.308 2.017) 4.370 12.847 ( -6.030 7.477 5.965) 11.307 12.966 ( -1.938 1.600 0.359) 2.539 13.138 ( 2.193 -1.411 1.487) 3.002 14.578 ( -4.611 -10.724 -2.920) 12.033 14.760 ( -12.938 -8.877 0.238) 15.693 15.197 ( 12.462 -4.560 -5.257) 14.273 15.588 ( 2.237 0.292 1.030) 2.480 15.854 ( -1.047 0.565 -0.958) 1.528 16.647 ( 0.253 7.412 0.454) 7.430 18.072 ( -3.709 3.353 7.447) 8.970 ======================= Grid point 18 (14/60) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -6.399 -10.597 -1.451) 12.464 0.968 ( -7.831 2.242 1.690) 8.319 1.307 ( -1.684 4.399 10.366) 11.386 1.512 ( 1.159 -1.696 8.261) 8.513 1.625 ( -5.824 -1.107 -4.567) 7.483 1.788 ( 0.281 2.506 11.144) 11.426 1.863 ( -3.197 -0.150 1.522) 3.544 2.040 ( 5.992 -5.499 -1.646) 8.297 2.194 ( -1.707 -1.921 -9.916) 10.244 2.306 ( -1.132 -3.536 -0.680) 3.774 2.483 ( 1.357 -3.905 -2.371) 4.765 2.568 ( 13.961 -0.316 6.368) 15.348 2.786 ( -8.076 7.932 4.177) 12.066 2.901 ( 6.568 1.709 -0.819) 6.836 3.168 ( 8.118 -0.567 4.444) 9.272 3.247 ( -15.884 5.089 1.593) 16.755 3.406 ( -1.269 -0.803 1.238) 1.946 3.603 ( 7.585 -3.370 0.478) 8.313 3.909 ( 0.914 3.596 -2.537) 4.495 4.096 ( 5.746 7.384 -2.441) 9.670 4.194 ( 17.083 -9.429 -0.691) 19.524 4.410 ( -3.082 2.936 -1.642) 4.562 4.438 ( -2.750 -5.265 -10.698) 12.237 4.696 ( 3.386 3.078 -3.134) 5.546 4.908 ( 5.819 6.224 1.556) 8.661 5.101 ( 6.655 -7.412 -1.234) 10.038 5.442 ( 10.170 8.927 -11.547) 17.789 5.537 ( 4.855 -3.725 -7.129) 9.395 5.806 ( 10.764 -6.685 -5.345) 13.753 5.838 ( 6.588 0.996 2.134) 6.997 6.076 ( -3.708 -10.243 3.164) 11.343 6.192 ( 9.005 1.845 -1.684) 9.345 6.438 ( 0.568 -3.895 0.322) 3.950 7.021 ( 3.729 -3.920 5.167) 7.481 7.220 ( -7.748 9.151 -10.646) 16.034 7.829 ( -5.954 16.511 -4.009) 18.004 7.973 ( 5.678 -0.628 -1.518) 5.910 8.133 ( -7.127 -12.665 6.667) 15.989 8.355 ( -2.139 -5.655 2.616) 6.588 8.645 ( 4.218 -4.229 9.675) 11.370 9.238 ( 11.111 4.218 -1.554) 11.986 9.324 ( -5.760 2.766 -2.551) 6.880 9.901 ( 7.803 -1.642 -4.584) 9.198 10.098 ( -7.515 4.640 -3.519) 9.507 10.371 ( -8.688 -3.480 8.359) 12.548 10.531 ( -8.936 6.527 11.278) 15.800 10.712 ( -11.343 1.785 -1.911) 11.641 11.610 ( 5.380 13.856 0.195) 14.865 11.828 ( 5.024 -13.258 -0.800) 14.201 12.536 ( -2.558 -0.575 4.581) 5.278 12.828 ( -7.733 5.287 0.223) 9.370 13.006 ( -1.095 5.050 3.535) 6.261 13.128 ( -3.118 -4.465 0.348) 5.457 14.359 ( -6.964 -7.469 -6.594) 12.156 14.591 ( -4.928 0.740 0.226) 4.989 15.250 ( 7.226 -4.438 -2.317) 8.790 15.655 ( 4.694 0.751 0.490) 4.779 15.812 ( -2.971 -1.359 -0.531) 3.310 16.685 ( -1.833 3.209 0.256) 3.705 18.074 ( -8.488 1.618 3.067) 9.169 ======================= Grid point 19 (15/60) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -9.557 -8.774 3.560) 13.453 0.840 ( -14.096 2.934 0.653) 14.413 1.429 ( 3.938 -2.840 -8.208) 9.536 1.559 ( -2.484 7.873 8.205) 11.639 1.605 ( 5.232 -0.659 -0.652) 5.313 1.828 ( -7.727 0.019 -9.060) 11.907 1.922 ( -2.266 1.501 5.505) 6.139 2.000 ( 3.328 3.805 2.411) 5.601 2.067 ( 4.070 -0.452 -4.308) 5.944 2.336 ( 4.455 -5.308 2.972) 7.540 2.388 ( -4.700 -1.610 -1.381) 5.157 2.741 ( -1.543 -1.811 5.011) 5.547 2.820 ( -4.018 2.849 1.546) 5.163 3.052 ( 7.112 -1.380 -6.960) 10.046 3.188 ( 3.079 4.852 10.441) 11.918 3.240 ( 5.384 1.626 -2.779) 6.273 3.455 ( 7.427 -1.776 1.420) 7.767 3.605 ( 2.752 -9.884 -5.988) 11.880 3.909 ( -2.373 3.937 -5.195) 6.937 4.162 ( 2.654 6.276 -3.585) 7.699 4.227 ( 0.932 -4.675 -5.229) 7.076 4.364 ( 9.599 -0.069 4.272) 10.507 4.484 ( 3.889 1.773 6.006) 7.372 4.842 ( 8.171 11.479 -0.366) 14.095 4.976 ( -1.721 -4.043 3.035) 5.340 5.217 ( 14.763 -6.062 3.323) 16.301 5.425 ( 6.976 -6.017 -6.186) 11.097 5.668 ( 10.639 3.677 1.062) 11.307 5.794 ( 8.314 -1.900 -1.788) 8.714 5.982 ( 3.315 -6.882 4.625) 8.930 6.022 ( 3.961 -0.840 0.621) 4.097 6.404 ( 3.668 -8.693 2.915) 9.876 6.474 ( 11.496 9.404 3.731) 15.314 6.968 ( -4.470 8.672 -13.088) 16.324 7.284 ( 11.462 6.572 4.142) 13.846 7.786 ( -3.122 0.594 -1.875) 3.689 7.946 ( -8.422 2.668 -1.834) 9.023 7.982 ( -6.984 -6.512 0.179) 9.551 8.300 ( -3.348 -3.923 2.300) 5.647 8.751 ( -1.526 -1.672 2.307) 3.232 9.247 ( -3.367 2.605 -1.189) 4.420 9.443 ( 15.569 -0.125 -0.808) 15.591 9.881 ( -9.847 3.888 1.566) 10.702 10.008 ( 5.827 -1.294 -9.720) 11.407 10.327 ( -10.164 -1.501 8.876) 13.577 10.465 ( -14.468 -1.735 -1.717) 14.673 10.584 ( -7.218 2.706 6.594) 10.144 11.677 ( 0.697 -5.194 -3.568) 6.339 11.847 ( 4.775 5.447 0.280) 7.249 12.518 ( -5.868 -5.304 3.226) 8.543 12.777 ( -3.741 8.399 -6.545) 11.287 12.966 ( -3.332 -9.237 -4.336) 10.735 13.090 ( -3.349 3.652 6.534) 8.200 14.138 ( -10.325 -0.655 -0.090) 10.346 14.621 ( 6.554 2.296 -1.493) 7.104 15.297 ( 4.585 -0.704 1.412) 4.849 15.719 ( 1.528 3.974 -3.675) 5.624 15.748 ( -2.587 -5.183 3.614) 6.828 16.658 ( -4.859 0.480 0.867) 4.959 17.947 ( -11.722 0.146 -0.546) 11.735 ======================= Grid point 20 (16/60) ======================= q-point: (-0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -11.405 -1.353 -1.946) 11.648 0.720 ( -12.327 4.300 8.602) 15.635 1.329 ( 3.900 -2.666 -9.583) 10.685 1.504 ( -20.209 6.286 -5.384) 21.838 1.608 ( -0.432 -1.668 0.225) 1.738 1.705 ( 4.135 -0.048 3.102) 5.170 1.958 ( -0.230 -5.088 1.411) 5.285 2.080 ( 4.155 -3.777 -0.793) 5.671 2.151 ( 9.019 6.118 -5.490) 12.202 2.323 ( 0.619 6.455 3.443) 7.342 2.464 ( 2.690 -1.448 -0.361) 3.076 2.641 ( -4.989 -1.750 -5.137) 7.371 2.768 ( -4.064 -3.205 1.736) 5.459 2.944 ( 3.212 -9.022 -12.746) 15.943 3.291 ( 4.712 9.566 -4.463) 11.560 3.403 ( 12.544 -7.324 -3.237) 14.882 3.587 ( 9.062 -1.521 0.327) 9.195 3.632 ( 2.605 -5.353 16.071) 17.138 3.823 ( -0.289 8.530 -3.727) 9.313 4.082 ( -5.659 -0.809 -2.119) 6.096 4.195 ( 4.244 2.091 -10.626) 11.632 4.570 ( -0.082 -1.196 5.705) 5.829 4.644 ( 6.035 1.861 2.833) 6.922 4.887 ( -6.061 0.590 4.709) 7.698 5.101 ( 11.341 6.060 -0.587) 12.872 5.328 ( 3.712 -7.446 3.247) 8.931 5.468 ( 17.158 -13.988 -4.138) 22.521 5.799 ( 0.629 5.802 1.815) 6.112 5.974 ( 0.401 1.071 1.723) 2.068 6.064 ( 6.862 -0.444 6.427) 9.412 6.183 ( 16.992 4.120 5.500) 18.329 6.363 ( 2.684 -11.683 3.219) 12.412 6.677 ( -1.014 11.524 -8.424) 14.311 6.969 ( 15.886 1.444 -1.401) 16.013 7.518 ( 6.303 0.834 -0.050) 6.358 7.711 ( -5.862 -6.562 1.653) 8.953 7.823 ( -5.207 8.441 2.741) 10.290 7.917 ( 1.470 -0.036 3.080) 3.413 8.253 ( -5.421 -0.713 1.716) 5.731 8.574 ( -14.933 0.550 -8.868) 17.376 9.205 ( -5.154 -0.226 -2.340) 5.665 9.558 ( 0.100 -0.228 -3.044) 3.054 9.820 ( 0.326 0.586 -9.077) 9.102 9.920 ( 1.121 -3.220 1.729) 3.823 10.247 ( -11.577 -1.052 10.613) 15.741 10.405 ( 4.508 -0.344 0.148) 4.524 10.537 ( -6.854 -1.386 1.082) 7.075 11.476 ( -10.427 -0.055 -12.825) 16.529 12.042 ( 6.797 13.828 2.955) 15.689 12.389 ( -7.850 -9.567 3.640) 12.900 12.556 ( -6.195 -0.641 -13.698) 15.047 12.911 ( 3.740 -2.779 -0.446) 4.681 13.137 ( -2.559 0.644 3.774) 4.605 14.149 ( -3.877 3.734 18.165) 18.946 14.718 ( 11.946 -4.571 -3.835) 13.354 15.428 ( 5.138 5.992 4.035) 8.865 15.665 ( -2.920 -0.707 -0.233) 3.014 15.741 ( -2.485 -1.565 0.423) 2.967 16.585 ( -7.610 0.447 1.360) 7.744 17.770 ( -10.589 0.686 -0.772) 10.640 ======================= Grid point 22 (17/60) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -16.988 -8.464 8.894) 20.961 0.858 ( -1.437 -0.714 1.408) 2.134 1.095 ( -2.077 -1.842 -1.463) 3.138 1.353 ( 5.045 -1.020 7.618) 9.194 1.624 ( 8.729 -8.749 2.618) 12.633 1.790 ( 1.528 -3.095 1.446) 3.742 1.967 ( 5.595 9.397 2.516) 11.222 1.997 ( 0.784 -2.872 0.592) 3.035 2.145 ( -2.638 -2.287 -0.381) 3.512 2.382 ( -0.813 0.031 2.061) 2.216 2.529 ( -0.309 1.119 2.381) 2.649 2.588 ( -8.268 0.681 4.363) 9.373 2.684 ( 0.334 1.601 0.881) 1.857 2.757 ( -4.940 6.227 4.047) 8.920 3.035 ( 5.714 -1.455 -8.405) 10.267 3.148 ( 19.480 -4.352 -6.452) 20.977 3.593 ( -11.551 -2.657 -3.821) 12.453 3.779 ( -5.564 -1.238 -0.055) 5.701 3.931 ( 5.414 4.307 -8.774) 11.173 4.048 ( 0.390 -4.313 -2.408) 4.955 4.125 ( -6.248 -3.842 -2.584) 7.777 4.430 ( -5.410 -0.061 6.233) 8.254 4.597 ( -6.974 1.677 -1.170) 7.268 4.896 ( -4.240 3.118 -7.211) 8.927 5.040 ( 3.156 1.077 -3.342) 4.722 5.248 ( 6.620 -5.859 -2.340) 9.144 5.448 ( -0.161 1.130 -2.972) 3.184 5.607 ( -14.721 2.007 -4.411) 15.498 5.948 ( -2.913 -2.057 -4.747) 5.937 6.053 ( -16.533 -7.955 -17.697) 25.491 6.233 ( 6.796 3.940 -8.371) 11.480 6.335 ( 5.578 -1.539 3.703) 6.870 6.832 ( -5.674 -5.596 -7.162) 10.714 6.885 ( 16.636 -4.195 6.685) 18.413 7.393 ( -9.614 -3.965 -2.882) 10.791 7.666 ( 1.673 14.585 -2.583) 14.906 7.916 ( -3.297 -16.227 9.974) 19.330 8.032 ( 0.953 -2.464 -1.822) 3.210 8.376 ( -0.966 4.582 -1.886) 5.049 8.708 ( 8.497 8.259 13.415) 17.899 9.008 ( -6.653 2.766 0.506) 7.223 9.363 ( -8.844 2.078 -0.759) 9.116 9.681 ( 7.179 3.673 -2.895) 8.568 10.102 ( 8.402 -0.803 3.170) 9.016 10.301 ( -0.027 -1.266 1.941) 2.318 10.442 ( 8.477 -2.909 5.812) 10.682 10.676 ( -3.423 5.589 6.526) 9.249 11.205 ( -14.271 16.120 -4.268) 21.949 12.081 ( -5.715 -12.201 3.006) 13.805 12.433 ( 5.999 5.224 1.924) 8.184 12.612 ( 10.603 6.641 2.467) 12.752 12.890 ( 3.735 -1.315 -0.787) 4.038 13.177 ( -2.958 0.081 2.748) 4.038 14.560 ( 12.689 -2.438 -3.584) 13.409 14.685 ( 4.366 -12.977 2.108) 13.853 15.438 ( -8.781 -11.750 -0.557) 14.679 15.637 ( -1.694 3.463 0.401) 3.876 15.790 ( 1.991 4.485 -1.820) 5.233 16.630 ( -2.862 6.155 0.905) 6.848 17.884 ( 3.682 3.009 6.629) 8.158 ======================= Grid point 23 (18/60) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 6.467 -6.017 25.870) 27.337 0.895 ( 6.377 -1.272 -0.777) 6.549 1.106 ( -0.701 4.773 4.296) 6.460 1.524 ( 8.885 -6.095 8.729) 13.867 1.692 ( 1.910 -7.537 2.841) 8.278 1.772 ( -1.584 -6.330 4.602) 7.985 1.995 ( 2.600 -2.630 -3.496) 5.090 2.059 ( -8.717 0.998 1.541) 8.908 2.128 ( 8.558 5.374 -2.475) 10.404 2.295 ( -4.358 -10.092 -1.151) 11.053 2.478 ( -10.444 1.652 -0.664) 10.594 2.678 ( 5.165 1.590 6.339) 8.330 2.713 ( -3.097 7.516 0.071) 8.129 2.872 ( 0.782 4.840 10.357) 11.459 2.916 ( 2.231 -2.150 -10.663) 11.104 3.338 ( -11.014 -3.586 -4.987) 12.611 3.423 ( 19.144 3.938 1.967) 19.643 3.723 ( -5.253 -1.437 3.865) 6.678 3.856 ( -6.304 -1.144 -5.736) 8.599 3.969 ( -5.856 -1.665 -2.089) 6.437 3.993 ( 6.494 -0.690 -2.638) 7.044 4.403 ( -8.326 -1.897 3.952) 9.409 4.457 ( -4.059 1.712 -8.240) 9.344 4.771 ( -1.252 -3.622 -5.364) 6.593 5.051 ( 1.367 0.389 -2.860) 3.194 5.249 ( 5.466 -10.297 -8.287) 14.303 5.338 ( -6.662 -0.118 0.301) 6.669 5.459 ( -0.674 9.257 -11.607) 14.861 5.548 ( -12.312 2.455 -13.823) 18.673 5.888 ( 0.772 -2.123 -1.555) 2.742 6.095 ( -5.257 9.584 -23.659) 26.063 6.351 ( -2.035 -5.555 0.649) 5.951 6.669 ( 2.167 -3.883 -5.124) 6.784 7.123 ( -10.609 -9.946 0.356) 14.547 7.224 ( 17.626 -11.133 11.548) 23.832 7.718 ( -4.355 3.363 -2.133) 5.901 7.933 ( -1.925 16.959 1.135) 17.106 8.097 ( 5.082 -10.665 8.253) 14.411 8.321 ( -2.169 -4.842 0.484) 5.328 8.818 ( -10.736 -4.476 8.368) 14.329 9.103 ( 10.633 8.129 -5.324) 14.404 9.301 ( -4.365 5.236 2.400) 7.227 9.703 ( 1.404 -2.598 -3.505) 4.583 10.255 ( 7.906 -4.103 2.620) 9.285 10.327 ( -0.840 6.309 3.373) 7.203 10.609 ( 2.842 -1.191 4.119) 5.144 10.820 ( -0.230 9.722 9.899) 13.876 11.212 ( -2.725 22.407 0.463) 22.577 11.927 ( -4.157 -16.422 2.790) 17.168 12.557 ( 2.482 4.978 -0.354) 5.573 12.850 ( 6.660 8.307 3.910) 11.342 12.931 ( 4.506 -1.581 0.308) 4.785 13.171 ( -4.005 0.365 3.842) 5.562 14.597 ( 4.348 -14.512 -4.329) 15.755 14.710 ( 13.854 -4.904 -0.546) 14.706 15.181 ( -11.916 -8.859 -1.772) 14.953 15.634 ( -3.225 1.629 0.945) 3.734 15.820 ( 2.422 3.220 -2.768) 4.888 16.667 ( -1.450 6.788 0.843) 6.992 18.067 ( 4.048 3.070 7.491) 9.051 ======================= Grid point 24 (19/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 5.588 -3.063 -1.946) 6.663 1.046 ( 1.836 -0.895 8.482) 8.724 1.279 ( 4.689 7.199 8.262) 11.920 1.574 ( -1.391 -7.762 6.650) 10.316 1.754 ( 3.481 -4.101 11.552) 12.743 1.843 ( -1.173 0.474 -0.862) 1.530 1.921 ( -3.842 -4.824 4.576) 7.679 2.011 ( 4.434 -0.909 0.730) 4.585 2.106 ( -8.100 -4.780 0.222) 9.408 2.254 ( 4.131 4.767 -7.008) 9.429 2.291 ( -0.545 -2.881 -7.724) 8.262 2.594 ( -4.691 -5.202 -9.110) 11.492 2.808 ( 2.047 0.990 -0.539) 2.337 2.885 ( 4.090 3.751 -1.058) 5.650 3.042 ( -2.061 2.872 6.752) 7.621 3.195 ( 1.631 -1.219 0.505) 2.098 3.640 ( -9.434 -1.106 5.185) 10.822 3.701 ( -1.644 3.578 1.300) 4.147 3.765 ( 6.855 2.971 4.177) 8.560 3.924 ( 2.222 -0.313 -1.951) 2.973 4.113 ( 1.894 -2.028 4.279) 5.100 4.315 ( 0.905 6.387 -2.449) 6.900 4.347 ( 1.849 -0.365 -7.275) 7.515 4.653 ( -1.958 -7.009 -4.902) 8.775 4.918 ( -9.770 3.184 -9.111) 13.734 5.046 ( 4.437 -13.523 -4.182) 14.834 5.334 ( 2.927 0.210 -2.674) 3.970 5.390 ( 5.174 2.538 -4.751) 7.469 5.507 ( -0.240 11.363 -3.932) 12.026 5.803 ( -1.138 3.783 -16.310) 16.781 5.842 ( -0.129 -2.433 -2.244) 3.312 6.263 ( -2.047 -5.949 0.149) 6.293 6.615 ( -2.891 1.116 -3.637) 4.778 6.941 ( -2.960 -11.682 5.298) 13.164 7.555 ( 10.887 -6.903 7.507) 14.918 7.603 ( -4.620 2.447 -1.049) 5.332 7.992 ( -5.276 27.534 -12.586) 30.730 8.133 ( 3.101 -20.264 8.441) 22.170 8.411 ( 4.788 -0.189 11.440) 12.403 8.680 ( -9.154 -5.133 1.192) 10.563 9.213 ( -2.121 8.699 -0.363) 8.961 9.281 ( 3.944 -2.578 -4.885) 6.787 9.676 ( 4.026 -3.174 -1.855) 5.452 10.290 ( -1.929 -0.339 0.746) 2.096 10.451 ( 1.662 4.745 3.121) 5.917 10.630 ( -0.983 -0.172 1.477) 1.782 11.011 ( -4.277 8.043 9.616) 13.246 11.431 ( 4.734 20.775 -0.084) 21.308 11.768 ( -1.357 -18.240 1.157) 18.327 12.580 ( -0.451 1.032 -0.667) 1.309 12.980 ( 1.431 1.354 1.538) 2.499 12.998 ( 0.607 3.766 0.488) 3.846 13.183 ( -2.506 1.290 4.754) 5.527 14.464 ( 0.274 -11.070 -3.497) 11.612 14.846 ( 3.074 -3.184 -0.810) 4.499 14.957 ( -1.318 -2.993 -2.375) 4.042 15.615 ( -1.766 0.913 0.952) 2.204 15.836 ( 1.118 0.545 -1.437) 1.901 16.709 ( -0.520 4.148 0.419) 4.202 18.201 ( 0.149 1.932 4.414) 4.821 ======================= Grid point 25 (20/60) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -1.821 -5.950 -1.497) 6.400 1.070 ( -2.488 5.202 -2.938) 6.472 1.361 ( 0.599 -2.554 -1.878) 3.227 1.588 ( -5.528 -0.155 -2.704) 6.156 1.734 ( -8.548 3.980 -6.676) 11.553 1.880 ( -1.535 -2.226 -0.158) 2.708 1.928 ( 4.115 4.980 7.390) 9.815 1.980 ( 1.183 0.448 4.526) 4.699 2.116 ( -6.837 -1.135 -4.102) 8.054 2.166 ( 2.849 -3.506 -5.541) 7.150 2.377 ( 19.561 -1.717 6.991) 20.843 2.509 ( -0.588 -0.885 4.859) 4.974 2.807 ( 0.534 0.083 -1.985) 2.057 2.928 ( 4.726 0.607 -0.222) 4.770 3.126 ( -0.206 4.806 1.906) 5.174 3.226 ( 6.159 -6.267 -3.111) 9.321 3.587 ( -6.096 -3.503 4.913) 8.577 3.678 ( -17.005 1.911 0.589) 17.122 3.850 ( 10.059 -0.607 -5.642) 11.550 3.923 ( 3.001 0.671 1.411) 3.383 4.112 ( -0.913 3.217 -3.369) 4.747 4.306 ( 1.669 -3.985 -1.248) 4.498 4.468 ( 8.227 5.392 0.924) 9.880 4.546 ( 3.549 2.757 -3.922) 5.965 4.854 ( 1.838 3.861 3.096) 5.279 5.029 ( 3.846 -5.189 2.369) 6.880 5.331 ( 3.318 -0.392 -2.269) 4.039 5.443 ( 2.709 5.311 -2.113) 6.326 5.500 ( 5.925 -5.216 -2.176) 8.188 5.787 ( 7.097 0.546 -0.380) 7.128 5.896 ( 9.508 -6.871 5.058) 12.775 6.236 ( -0.102 2.025 1.595) 2.580 6.516 ( -7.961 -9.055 9.066) 15.086 6.990 ( 6.689 8.249 -2.089) 10.823 7.344 ( -16.496 8.130 -8.841) 20.405 7.784 ( 8.188 2.860 -6.994) 11.142 8.013 ( -1.274 15.280 -1.048) 15.369 8.127 ( 3.575 -26.651 12.523) 29.663 8.409 ( -9.428 -0.881 -4.292) 10.397 8.723 ( 4.732 5.518 7.166) 10.208 9.112 ( -2.765 -5.038 -0.969) 5.828 9.373 ( 4.146 7.494 -3.355) 9.199 9.694 ( 7.042 -3.691 -2.199) 8.249 10.224 ( -8.224 3.967 -1.752) 9.297 10.467 ( -3.423 -5.799 2.887) 7.327 10.657 ( 1.138 3.270 -1.394) 3.733 11.018 ( -13.051 1.842 4.210) 13.836 11.560 ( 2.370 -14.388 0.730) 14.600 11.709 ( 5.384 13.071 -3.679) 14.607 12.579 ( -0.201 -1.108 1.266) 1.694 12.941 ( -5.625 0.278 -0.778) 5.685 13.028 ( -0.102 -2.760 -0.493) 2.806 13.209 ( -2.667 1.570 2.242) 3.822 14.358 ( -4.205 -0.209 -0.568) 4.249 14.690 ( -10.324 0.747 -1.801) 10.507 15.074 ( 11.656 0.887 -0.775) 11.715 15.637 ( 1.618 0.393 1.631) 2.330 15.820 ( -1.256 -2.233 0.179) 2.568 16.726 ( -0.536 0.562 0.253) 0.817 18.202 ( -5.065 0.145 -0.289) 5.075 ======================= Grid point 26 (21/60) ======================= q-point: (-0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -3.623 -2.204 0.255) 4.248 1.019 ( -0.847 10.480 -9.884) 14.431 1.124 ( -2.387 -7.761 -16.684) 18.555 1.513 ( -0.050 2.350 -5.957) 6.404 1.670 ( 0.163 3.651 -1.218) 3.852 1.839 ( -7.603 -3.628 -5.221) 9.911 1.934 ( 6.251 7.982 -3.127) 10.610 1.986 ( -2.775 -1.773 4.806) 5.826 2.151 ( 0.120 3.911 3.927) 5.544 2.276 ( 4.614 1.976 2.669) 5.684 2.496 ( -3.931 1.536 7.630) 8.720 2.681 ( 7.874 -3.845 0.946) 8.814 2.812 ( 5.027 -1.519 -5.670) 7.729 2.990 ( 10.273 -6.878 -2.062) 12.534 3.089 ( -12.023 -0.467 -1.782) 12.163 3.166 ( -1.586 -3.731 -8.990) 9.862 3.449 ( 3.103 -0.447 1.022) 3.297 3.583 ( -6.340 0.664 9.617) 11.537 3.861 ( 2.045 2.105 -4.632) 5.484 4.007 ( 5.524 -4.691 -2.858) 7.790 4.125 ( 5.387 2.477 -3.076) 6.679 4.394 ( 5.527 2.238 10.284) 11.888 4.593 ( 0.444 7.233 -0.602) 7.272 4.704 ( 17.328 4.573 -0.174) 17.922 4.997 ( 3.449 2.619 3.422) 5.520 5.035 ( -3.507 -6.709 7.368) 10.563 5.410 ( 0.721 -3.599 4.454) 5.772 5.563 ( 11.766 2.003 9.002) 14.949 5.616 ( 16.154 1.879 -4.357) 16.837 5.860 ( 2.907 -2.204 2.674) 4.523 6.041 ( 4.023 -13.455 11.959) 18.446 6.342 ( 4.546 2.985 2.706) 6.074 6.528 ( -0.206 2.194 7.953) 8.252 7.034 ( -13.796 7.234 -9.243) 18.114 7.215 ( 10.943 13.311 -2.117) 17.361 7.769 ( 0.685 0.001 -2.118) 2.226 8.017 ( -5.737 -10.727 1.193) 12.223 8.054 ( -6.131 7.620 -7.758) 12.483 8.322 ( 1.865 -4.150 4.621) 6.484 8.839 ( -6.728 1.462 4.491) 8.220 9.127 ( 13.196 3.187 -7.090) 15.316 9.376 ( -2.393 -1.564 1.973) 3.474 9.760 ( 8.558 -3.175 -5.042) 10.428 10.100 ( -11.060 4.248 0.211) 11.850 10.378 ( -2.961 -4.566 -1.099) 5.552 10.604 ( -6.678 -1.506 -3.477) 7.678 10.841 ( -12.996 -2.638 1.613) 13.359 11.460 ( 6.480 -18.288 -1.536) 19.463 11.888 ( 5.028 18.987 -3.099) 19.884 12.553 ( -2.941 -5.390 0.716) 6.182 12.828 ( -9.381 0.387 -5.919) 11.099 12.901 ( -3.470 -7.775 -1.147) 8.591 13.212 ( -1.665 1.681 1.028) 2.580 14.339 ( -7.476 5.683 6.669) 11.518 14.579 ( -3.124 3.963 -3.374) 6.070 15.247 ( 8.549 5.223 1.761) 10.172 15.687 ( 2.202 1.124 -0.824) 2.606 15.782 ( -2.079 -4.660 3.101) 5.971 16.709 ( -1.398 -2.185 0.465) 2.635 18.066 ( -8.705 -1.166 -3.767) 9.556 ======================= Grid point 27 (22/60) ======================= q-point: (-0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -8.659 2.574 3.902) 9.840 0.935 ( 6.773 -4.644 -6.174) 10.274 1.045 ( 2.196 11.776 -4.161) 12.681 1.497 ( 5.570 -2.554 -5.973) 8.557 1.599 ( -0.933 -1.105 -9.762) 9.868 1.699 ( -4.568 0.537 1.021) 4.711 1.957 ( -4.904 -3.558 -1.248) 6.186 2.006 ( 0.976 1.966 -2.225) 3.125 2.158 ( -0.236 3.924 0.615) 3.979 2.412 ( 4.184 6.908 1.462) 8.207 2.508 ( -8.185 1.036 -2.747) 8.696 2.688 ( -0.303 -0.199 -2.459) 2.485 2.719 ( -2.781 -4.205 4.026) 6.452 2.839 ( -10.650 -4.172 -0.621) 11.455 2.998 ( 11.739 -11.165 -12.988) 20.764 3.100 ( 9.780 -2.421 -5.271) 11.371 3.621 ( 4.980 8.415 6.281) 11.621 3.760 ( 3.813 -5.089 16.056) 17.269 3.849 ( 0.858 4.423 -2.808) 5.309 3.998 ( 2.632 2.666 -3.949) 5.444 4.149 ( -1.212 1.451 -1.233) 2.257 4.555 ( 4.524 1.032 -2.890) 5.466 4.665 ( 0.147 0.419 2.725) 2.761 4.950 ( 8.703 0.390 1.630) 8.863 5.042 ( 7.563 -6.790 0.713) 10.188 5.094 ( 0.120 0.318 6.799) 6.807 5.409 ( -2.135 -5.032 6.066) 8.166 5.811 ( 9.985 5.057 -1.483) 11.291 5.952 ( 7.667 0.394 4.315) 8.806 6.041 ( 20.475 4.966 14.176) 25.394 6.090 ( -1.234 -3.346 7.551) 8.350 6.301 ( -4.946 -6.311 -1.470) 8.152 6.729 ( -7.124 8.675 -5.745) 12.610 6.833 ( 6.336 6.579 -1.037) 9.193 7.454 ( 7.912 -0.234 4.764) 9.238 7.717 ( -3.647 -12.957 1.771) 13.576 7.928 ( -1.545 13.616 -8.708) 16.236 7.962 ( 0.816 4.413 4.101) 6.079 8.359 ( -3.087 -2.548 4.374) 5.929 8.659 ( -14.481 -2.588 -6.965) 16.276 9.241 ( 6.256 6.112 -8.300) 12.057 9.413 ( 4.160 -6.988 6.789) 10.594 9.678 ( 0.007 -2.640 -10.009) 10.352 9.997 ( -7.620 -1.509 2.869) 8.281 10.332 ( 0.468 -2.286 -1.516) 2.783 10.405 ( -6.540 -1.200 -4.576) 8.072 10.695 ( -8.248 -1.175 2.251) 8.630 11.423 ( 4.339 -7.404 -0.870) 8.626 12.080 ( 5.860 17.199 -2.562) 18.349 12.408 ( -7.070 -5.618 -3.861) 9.821 12.554 ( -10.149 -7.451 -2.483) 12.833 12.856 ( 0.213 -1.391 0.087) 1.410 13.205 ( -1.584 0.423 0.238) 1.656 14.392 ( -2.942 1.965 7.457) 8.254 14.574 ( 1.011 3.537 -0.160) 3.682 15.445 ( 6.561 9.000 1.889) 11.296 15.676 ( -0.407 -2.071 -0.239) 2.124 15.769 ( -1.767 -3.056 2.023) 4.068 16.668 ( -2.524 -2.213 0.769) 3.444 17.881 ( -7.887 -0.748 -3.359) 8.605 ======================= Grid point 57 (23/60) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -0.000 -0.000 15.786) 15.786 0.664 ( -0.000 -0.000 15.786) 15.786 0.943 ( -0.000 -0.000 16.977) 16.977 1.507 ( 0.000 0.000 -15.834) 15.834 1.792 ( -0.000 -0.000 11.589) 11.589 1.792 ( -0.000 -0.000 11.589) 11.589 1.870 ( -0.000 -0.000 5.266) 5.266 2.096 ( 0.000 0.000 -5.834) 5.834 2.096 ( 0.000 0.000 -5.834) 5.834 2.323 ( 0.000 0.000 -5.315) 5.315 2.323 ( 0.000 0.000 -5.315) 5.315 2.363 ( -0.000 -0.000 1.480) 1.480 2.777 ( -0.000 -0.000 0.178) 0.178 3.145 ( 0.000 0.000 -6.142) 6.142 3.145 ( 0.000 -0.000 -6.142) 6.142 3.611 ( 0.000 0.000 1.341) 1.341 3.611 ( -0.000 -0.000 1.341) 1.341 3.754 ( 0.000 0.000 -9.643) 9.643 3.982 ( 0.000 0.000 -11.994) 11.994 3.982 ( 0.000 0.000 -11.994) 11.994 4.154 ( -0.000 -0.000 2.068) 2.068 4.226 ( -0.000 -0.000 16.181) 16.181 4.595 ( 0.000 -0.000 -5.250) 5.250 4.595 ( 0.000 0.000 -5.250) 5.250 5.145 ( 0.000 0.000 -16.228) 16.228 5.145 ( 0.000 0.000 -16.228) 16.228 5.499 ( 0.000 0.000 -6.413) 6.413 5.775 ( -0.000 -0.000 2.806) 2.806 6.146 ( 0.000 0.000 -12.783) 12.783 6.146 ( 0.000 0.000 -12.783) 12.783 6.294 ( -0.000 -0.000 5.673) 5.673 6.294 ( -0.000 -0.000 5.673) 5.673 7.024 ( 0.000 0.000 -10.410) 10.410 7.024 ( 0.000 0.000 -10.410) 10.410 7.585 ( 0.000 -0.000 1.219) 1.219 7.585 ( -0.000 0.000 1.219) 1.219 7.703 ( 0.000 0.000 -18.739) 18.739 7.860 ( -0.000 -0.000 18.936) 18.936 8.549 ( -0.000 -0.000 11.871) 11.871 8.549 ( -0.000 -0.000 11.871) 11.871 8.680 ( -0.000 -0.000 3.648) 3.648 9.590 ( -0.000 0.000 3.440) 3.440 9.590 ( -0.000 -0.000 3.440) 3.440 10.017 ( -0.000 -0.000 4.618) 4.618 10.190 ( -0.000 -0.000 3.957) 3.957 10.374 ( -0.000 -0.000 5.125) 5.125 10.596 ( -0.000 0.000 0.952) 0.952 10.596 ( -0.000 0.000 0.952) 0.952 12.224 ( 0.000 -0.000 3.121) 3.121 12.224 ( -0.000 0.000 3.121) 3.121 12.752 ( -0.000 -0.000 6.913) 6.913 13.051 ( 0.000 0.000 -0.838) 0.838 13.051 ( 0.000 0.000 -0.838) 0.838 15.204 ( 0.000 0.000 -2.934) 2.934 15.204 ( 0.000 -0.000 -2.934) 2.934 15.461 ( 0.000 0.000 -11.349) 11.349 15.697 ( 0.000 0.000 2.094) 2.094 15.697 ( -0.000 0.000 2.094) 2.094 16.193 ( -0.000 -0.000 1.660) 1.660 17.772 ( -0.000 -0.000 12.607) 12.607 ======================= Grid point 58 (24/60) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -8.192 -3.950 13.578) 16.342 0.944 ( -0.617 6.077 12.896) 14.269 1.019 ( 1.840 4.248 -4.631) 6.547 1.545 ( 0.967 -1.701 12.247) 12.402 1.763 ( -7.402 -1.661 10.118) 12.646 1.869 ( -2.370 -8.563 2.365) 9.195 1.995 ( 0.443 5.613 -0.659) 5.669 2.064 ( -3.359 3.743 -0.719) 5.080 2.111 ( 3.767 -4.320 -0.535) 5.756 2.230 ( 2.790 -2.857 0.998) 4.116 2.418 ( 9.643 9.630 -2.926) 13.939 2.458 ( 3.936 1.815 9.824) 10.738 2.697 ( -5.230 -2.558 -1.978) 6.149 2.908 ( -10.120 -2.262 -3.283) 10.877 3.252 ( 1.571 2.406 -4.765) 5.564 3.368 ( -5.682 -6.533 -5.624) 10.324 3.641 ( -14.272 -7.619 -9.712) 18.870 3.676 ( 4.102 2.423 -4.867) 6.810 3.762 ( 10.019 -2.072 -1.477) 10.337 4.018 ( 10.149 9.511 -10.135) 17.210 4.136 ( -8.432 -0.982 -2.300) 8.795 4.388 ( 2.972 0.415 8.539) 9.051 4.529 ( 6.914 6.947 -3.204) 10.312 4.700 ( 11.995 4.602 -9.268) 15.841 4.938 ( -0.384 -0.742 -12.753) 12.780 5.048 ( 7.627 0.885 -12.553) 14.715 5.409 ( 1.084 1.086 -6.922) 7.090 5.718 ( -8.099 -2.647 -2.675) 8.931 5.902 ( 2.173 0.758 -19.169) 19.307 6.083 ( 9.297 1.962 -12.235) 15.492 6.153 ( -6.986 4.738 -13.135) 15.613 6.369 ( 5.211 -0.157 -6.079) 8.009 6.916 ( -1.436 -10.883 -2.928) 11.361 7.010 ( -2.802 9.180 1.988) 9.802 7.350 ( -6.348 -1.862 -8.828) 11.032 7.557 ( -0.195 -6.787 6.765) 9.585 7.776 ( 10.489 8.034 -6.319) 14.646 8.264 ( 13.417 5.482 17.038) 22.369 8.421 ( -17.061 -3.888 10.075) 20.192 8.579 ( -4.177 -12.917 8.962) 16.267 8.886 ( 3.180 4.848 2.067) 6.156 9.521 ( -13.249 9.298 7.119) 17.682 9.651 ( 3.205 -9.373 3.568) 10.528 10.184 ( 8.798 2.736 -4.755) 10.368 10.360 ( 6.026 3.531 5.149) 8.677 10.411 ( -3.818 -3.291 10.243) 11.416 10.604 ( 0.921 -2.449 3.501) 4.370 10.675 ( 6.971 8.555 1.991) 11.213 12.178 ( -2.219 -2.910 3.794) 5.271 12.371 ( 3.141 3.913 3.321) 6.017 12.762 ( -7.985 -5.604 7.168) 12.106 12.999 ( -2.824 -2.219 -1.097) 3.755 13.099 ( 3.818 3.007 1.208) 5.008 14.933 ( -14.672 -12.742 -4.292) 19.901 15.113 ( -13.251 0.002 -0.015) 13.251 15.425 ( 10.363 -0.438 -6.024) 11.995 15.642 ( -1.600 -1.856 -0.920) 2.618 15.709 ( -2.791 3.166 -0.489) 4.249 16.345 ( 10.327 5.223 1.824) 11.716 17.918 ( -2.237 -1.294 13.213) 13.464 ======================= Grid point 59 (25/60) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -0.186 1.482 11.825) 11.919 0.952 ( -4.713 3.619 0.209) 5.947 1.213 ( -1.578 9.615 10.175) 14.088 1.511 ( -8.738 -7.086 8.177) 13.907 1.758 ( -5.369 -6.097 2.185) 8.413 1.843 ( 3.104 -7.757 0.529) 8.372 1.869 ( -10.030 -0.549 -2.595) 10.375 2.072 ( 0.427 4.162 2.363) 4.805 2.187 ( 3.298 6.109 2.212) 7.286 2.413 ( 5.664 -4.828 9.283) 11.898 2.496 ( 2.614 -4.786 -0.932) 5.533 2.545 ( 3.029 3.603 0.128) 4.708 2.753 ( -5.986 4.415 -0.541) 7.458 2.831 ( 5.743 6.346 12.912) 15.491 3.040 ( -10.803 -7.729 1.685) 13.389 3.115 ( -12.992 -8.580 -12.502) 19.968 3.513 ( 10.920 6.016 -6.461) 14.043 3.704 ( 4.361 -4.094 -4.145) 7.277 3.802 ( -1.240 3.135 -3.640) 4.961 3.992 ( 0.638 -1.348 -5.239) 5.447 4.135 ( 5.742 11.378 -3.966) 13.348 4.496 ( -1.520 1.721 2.312) 3.258 4.627 ( 9.342 8.666 -6.620) 14.360 4.752 ( -0.174 0.680 1.027) 1.244 4.838 ( 8.354 -7.331 -8.495) 13.989 5.070 ( 13.073 0.380 -10.656) 16.870 5.358 ( 6.524 1.948 -14.397) 15.926 5.586 ( -2.583 9.182 0.721) 9.566 5.744 ( 7.338 -1.303 -15.671) 17.353 5.940 ( -0.328 16.929 -21.688) 27.514 6.091 ( 4.710 0.370 -4.716) 6.675 6.341 ( 0.734 -3.152 -3.292) 4.617 6.736 ( 1.754 -9.604 -8.354) 12.849 7.036 ( -5.660 8.162 -0.972) 9.980 7.226 ( 0.506 -3.537 -2.819) 4.551 7.626 ( 1.291 -7.751 9.479) 12.312 7.872 ( 9.100 5.736 -9.422) 14.300 8.315 ( -11.344 -1.287 6.438) 13.106 8.432 ( -9.049 -3.579 4.104) 10.562 8.725 ( 6.233 -7.112 18.045) 20.372 8.970 ( 7.259 6.849 1.110) 10.041 9.534 ( -7.638 0.247 4.653) 8.947 9.658 ( -2.076 3.275 6.325) 7.419 10.156 ( -3.789 -4.569 -1.084) 6.034 10.360 ( -5.396 -3.603 6.013) 8.846 10.494 ( -0.027 -5.577 2.714) 6.202 10.697 ( 1.770 -0.628 5.053) 5.391 10.986 ( 16.102 15.589 1.079) 22.438 12.211 ( 2.573 -4.742 5.076) 7.408 12.443 ( -2.893 5.023 1.870) 6.091 12.663 ( -9.378 -6.692 6.465) 13.210 12.925 ( -3.846 -1.642 0.454) 4.207 13.197 ( 2.227 0.506 3.019) 3.786 14.586 ( -11.954 -7.258 -5.347) 14.972 14.872 ( -14.438 -6.530 -1.055) 15.881 15.498 ( 9.718 -4.865 -3.073) 11.294 15.600 ( -2.757 5.736 -3.442) 7.235 15.712 ( 0.330 3.666 -0.770) 3.760 16.535 ( 7.829 3.018 0.955) 8.445 18.009 ( -4.981 -2.775 10.759) 12.176 ======================= Grid point 60 (26/60) ======================= q-point: (-0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -10.306 -1.915 1.107) 10.541 0.954 ( -3.193 -1.657 2.123) 4.176 1.297 ( -5.126 0.565 9.258) 10.598 1.562 ( 1.706 0.409 6.727) 6.953 1.671 ( -3.782 -4.309 -1.186) 5.855 1.738 ( -2.091 1.674 5.475) 6.095 1.857 ( 2.528 -3.940 0.848) 4.757 2.133 ( -3.667 -1.415 3.590) 5.323 2.202 ( -2.309 0.030 -3.647) 4.316 2.440 ( 1.565 4.313 -4.071) 6.133 2.517 ( 2.005 -2.279 -1.314) 3.308 2.648 ( -9.250 -5.620 -2.215) 11.048 2.740 ( 8.068 -4.398 5.963) 10.955 2.840 ( -11.578 -0.822 1.269) 11.677 2.915 ( 13.317 7.435 5.824) 16.326 3.259 ( 6.574 6.806 19.162) 21.371 3.485 ( 0.662 -3.651 -13.541) 14.040 3.690 ( -3.773 9.800 -5.291) 11.759 3.816 ( 9.911 0.909 -0.191) 9.955 3.989 ( 6.553 1.961 -3.868) 7.858 4.173 ( -4.827 4.562 -3.701) 7.603 4.540 ( 5.091 -0.805 -1.986) 5.524 4.668 ( -1.073 -2.352 -9.125) 9.484 4.806 ( 11.036 -0.123 -3.446) 11.562 4.866 ( 11.984 3.368 2.914) 12.785 5.005 ( 1.691 -0.223 -5.421) 5.683 5.391 ( -3.284 10.185 -6.373) 12.455 5.610 ( 17.686 4.496 -11.691) 21.673 5.877 ( 12.188 8.813 -0.388) 15.045 5.913 ( 7.676 17.368 -13.149) 23.097 6.103 ( 0.980 1.572 -0.538) 1.929 6.235 ( -6.945 -7.475 2.557) 10.519 6.634 ( 6.793 -0.152 -10.962) 12.897 6.989 ( 1.385 -1.819 -3.876) 4.500 7.216 ( 5.687 -0.766 -2.131) 6.121 7.675 ( 4.165 -8.259 3.519) 9.896 7.903 ( -0.729 7.644 -4.404) 8.852 8.168 ( -10.984 -5.282 -1.512) 12.281 8.333 ( -5.946 0.133 0.348) 5.958 8.829 ( -5.951 -3.016 11.580) 13.365 9.286 ( 12.179 6.573 3.134) 14.190 9.399 ( -5.293 -8.885 4.944) 11.463 9.830 ( -0.048 11.092 8.607) 14.040 10.026 ( -8.437 -7.535 3.413) 11.816 10.322 ( -4.684 -8.719 5.137) 11.151 10.438 ( -4.147 -2.392 -0.331) 4.799 10.668 ( -4.395 -5.748 -1.252) 7.343 11.331 ( 12.181 12.552 0.977) 17.518 12.256 ( 4.994 -12.502 0.947) 13.496 12.427 ( -11.665 12.854 1.661) 17.437 12.602 ( -3.744 -7.637 9.604) 12.829 12.899 ( -2.856 1.286 3.839) 4.955 13.205 ( -2.596 -3.369 -0.218) 4.258 14.338 ( -6.714 -2.477 -9.695) 12.050 14.641 ( -6.935 -5.700 1.989) 9.194 15.511 ( 3.667 -6.275 -2.859) 7.810 15.573 ( -0.721 7.705 -5.638) 9.575 15.750 ( 1.175 2.478 0.789) 2.854 16.625 ( 1.900 -0.314 0.453) 1.978 17.993 ( -8.711 -4.896 6.689) 12.025 ======================= Grid point 61 (27/60) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -12.291 -1.684 -2.200) 12.599 0.782 ( -13.161 -7.030 -1.735) 15.021 1.415 ( -0.116 0.427 7.053) 7.067 1.558 ( 0.915 -3.626 -2.777) 4.658 1.657 ( 3.623 3.595 -3.643) 6.271 1.751 ( -15.707 -9.999 6.534) 19.733 1.890 ( 1.250 -0.126 1.253) 1.774 2.010 ( 2.049 0.102 -2.984) 3.622 2.177 ( 4.609 -1.321 1.114) 4.922 2.357 ( 1.285 1.941 -5.925) 6.366 2.529 ( -4.518 5.572 1.144) 7.264 2.623 ( 2.620 1.251 0.158) 2.908 2.770 ( -3.476 -1.813 3.757) 5.430 2.947 ( 8.226 0.256 6.377) 10.412 3.247 ( 11.394 1.497 -5.518) 12.748 3.318 ( 5.845 2.674 2.093) 6.760 3.560 ( -8.652 6.808 -9.600) 14.607 3.662 ( 5.810 5.078 17.671) 19.282 3.932 ( 0.886 4.752 -3.044) 5.713 4.003 ( 2.274 -8.365 -7.341) 11.360 4.163 ( 10.484 1.529 1.730) 10.736 4.500 ( -0.162 -4.391 -5.142) 6.763 4.548 ( 4.315 9.607 -13.299) 16.964 4.865 ( -1.447 0.009 -0.985) 1.750 5.044 ( 11.765 -2.975 3.433) 12.611 5.221 ( 10.187 7.468 2.987) 12.980 5.427 ( 8.128 15.815 3.855) 18.195 5.759 ( 9.489 6.685 -8.450) 14.357 5.994 ( 5.871 3.133 -3.264) 7.412 6.002 ( 0.744 2.441 -2.992) 3.933 6.137 ( 1.313 -1.289 1.478) 2.360 6.201 ( 0.519 6.831 0.766) 6.893 6.694 ( 12.961 7.082 -3.181) 15.108 6.970 ( 8.766 -8.209 -3.025) 12.385 7.335 ( 11.945 3.156 -1.556) 12.452 7.739 ( 0.596 0.112 4.210) 4.254 7.838 ( -3.834 4.111 -4.967) 7.501 7.899 ( -9.931 -7.189 -7.447) 14.345 8.273 ( -4.545 0.371 1.222) 4.721 8.802 ( -12.915 -6.219 7.420) 16.141 9.224 ( -2.111 -2.263 -0.673) 3.167 9.644 ( 5.960 3.060 8.169) 10.564 9.881 ( -3.322 -7.651 4.758) 9.602 10.012 ( -1.006 6.897 4.282) 8.180 10.109 ( -14.047 -13.770 -2.872) 19.879 10.400 ( 0.362 2.901 -1.679) 3.371 10.543 ( -5.217 -3.877 1.968) 6.791 11.540 ( 4.606 3.433 2.059) 6.103 12.096 ( -4.153 -6.313 -12.542) 14.642 12.410 ( -9.934 4.335 7.117) 12.966 12.673 ( 3.401 -6.489 7.774) 10.682 12.963 ( -2.492 4.011 7.243) 8.646 13.090 ( -2.839 -3.876 -4.155) 6.352 14.061 ( -9.246 -4.876 -6.076) 12.091 14.702 ( 7.963 2.606 5.691) 10.129 15.452 ( -0.855 0.035 -4.563) 4.643 15.541 ( 1.152 1.404 -5.766) 6.045 15.795 ( -0.311 0.324 2.890) 2.924 16.602 ( -4.196 -2.815 0.885) 5.130 17.862 ( -11.101 -6.523 3.140) 13.253 ======================= Grid point 62 (28/60) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -10.683 0.638 1.181) 10.767 0.450 ( -18.664 -2.079 -3.933) 19.186 1.220 ( -24.518 -18.008 8.170) 31.499 1.460 ( 2.442 1.135 -6.919) 7.424 1.675 ( -1.187 -3.189 5.743) 6.676 1.720 ( 4.007 1.794 1.861) 4.768 1.952 ( 4.172 8.127 -5.281) 10.552 2.086 ( 6.281 2.483 -1.779) 6.984 2.284 ( 7.128 -3.754 -1.665) 8.226 2.382 ( 3.020 -0.535 -0.508) 3.109 2.525 ( -4.215 11.975 -3.396) 13.142 2.541 ( -1.707 -1.313 -9.057) 9.309 2.675 ( -6.000 -1.082 -1.873) 6.378 3.172 ( 11.569 -1.200 3.115) 12.041 3.225 ( 3.499 -3.529 -5.235) 7.218 3.409 ( -3.012 6.721 -3.414) 8.117 3.628 ( 6.589 6.674 11.090) 14.524 3.781 ( 3.430 -3.371 -8.849) 10.072 3.936 ( 2.999 -2.778 4.088) 5.781 4.004 ( 1.025 4.380 1.661) 4.795 4.216 ( 7.413 -8.559 -7.349) 13.499 4.415 ( -2.938 10.143 -12.175) 16.116 4.612 ( 2.636 5.853 3.343) 7.238 4.764 ( -6.246 -2.696 -1.597) 6.988 5.253 ( 12.834 -0.732 0.962) 12.891 5.446 ( 4.888 14.286 4.431) 15.736 5.643 ( 4.551 -1.042 -8.838) 9.995 5.787 ( 1.113 -2.569 -0.596) 2.862 6.027 ( -1.280 7.436 1.800) 7.757 6.135 ( 3.137 -5.957 1.086) 6.819 6.155 ( 8.537 13.821 -4.441) 16.841 6.340 ( 12.191 4.660 7.005) 14.813 6.896 ( 4.381 -4.842 7.061) 9.618 7.128 ( 19.998 5.946 -4.183) 21.279 7.406 ( 0.807 5.298 -10.710) 11.976 7.587 ( -11.360 0.576 -7.997) 13.905 7.762 ( 4.518 -3.277 9.133) 10.704 7.955 ( 8.396 2.931 4.051) 9.772 8.224 ( -5.116 -1.687 2.275) 5.848 8.546 ( -17.694 -12.000 -0.694) 21.390 9.146 ( -5.884 -3.224 -4.739) 8.214 9.604 ( -18.468 0.016 -1.749) 18.551 9.718 ( -8.076 -11.883 -2.346) 14.558 10.036 ( 10.864 0.349 6.030) 12.430 10.107 ( -2.856 2.743 7.420) 8.410 10.392 ( 2.576 4.410 -5.116) 7.229 10.543 ( -1.665 2.350 4.259) 5.141 11.353 ( -15.371 -14.051 -23.897) 31.698 11.950 ( 4.865 4.134 0.126) 6.386 12.375 ( -8.708 -1.548 6.441) 10.941 12.665 ( -0.247 -9.580 -2.324) 9.861 12.992 ( 1.663 1.471 -0.598) 2.300 13.075 ( -1.508 2.159 2.380) 3.549 14.090 ( 4.757 2.533 28.129) 28.640 14.977 ( 15.052 5.835 3.376) 16.492 15.388 ( -2.948 6.730 -4.956) 8.863 15.498 ( 2.594 -2.465 -2.981) 4.658 15.807 ( -2.997 -2.353 3.562) 5.216 16.490 ( -9.070 -4.865 1.452) 10.394 17.689 ( -9.482 -5.751 2.681) 11.409 ======================= Grid point 65 (29/60) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 4.937 2.428 0.038) 5.502 0.949 ( -5.471 -5.589 15.550) 17.406 1.122 ( 8.244 -1.126 13.044) 15.472 1.711 ( -2.149 3.425 5.901) 7.153 1.811 ( -0.452 -9.945 2.450) 10.252 1.905 ( -3.755 -0.337 -0.420) 3.793 2.015 ( 4.376 -2.190 3.723) 6.149 2.041 ( 3.505 -3.452 3.038) 5.782 2.172 ( -6.537 -1.676 -4.383) 8.047 2.247 ( -0.161 7.170 2.850) 7.718 2.384 ( 1.679 10.594 6.343) 12.461 2.601 ( -1.547 -11.119 0.034) 11.226 2.673 ( 1.779 6.332 14.094) 15.553 2.931 ( 8.065 -2.397 -5.014) 9.795 3.094 ( -4.895 1.817 -8.241) 9.756 3.322 ( 1.643 -15.823 -7.964) 17.790 3.546 ( -10.142 -0.941 1.858) 10.353 3.696 ( 11.818 0.894 -2.272) 12.068 3.743 ( -6.132 2.057 -4.752) 8.026 3.816 ( -1.762 7.351 -5.636) 9.429 4.133 ( 13.142 0.463 -12.133) 17.892 4.280 ( -12.387 1.863 -2.090) 12.699 4.485 ( 4.876 4.154 -1.279) 6.532 4.686 ( -5.840 9.350 1.750) 11.162 4.805 ( 1.865 7.108 -17.256) 18.755 4.928 ( -2.004 7.259 -6.513) 9.956 5.297 ( -0.608 -2.440 -6.725) 7.180 5.511 ( -1.701 -7.188 -17.261) 18.775 5.811 ( -4.314 7.998 -17.232) 19.482 5.814 ( 12.540 -0.445 -12.001) 17.363 5.956 ( 1.782 -3.978 -13.592) 14.274 6.233 ( -3.926 7.928 -12.140) 15.022 6.822 ( -3.524 -10.868 -8.638) 14.323 7.157 ( 8.220 12.988 2.974) 15.656 7.319 ( -5.090 13.319 -8.357) 16.527 7.566 ( -0.233 -14.446 7.001) 16.055 7.727 ( -2.414 -2.580 4.594) 5.795 8.375 ( 2.244 1.113 6.675) 7.129 8.563 ( 1.802 -12.428 17.204) 21.300 8.698 ( -6.100 -2.263 3.694) 7.482 8.978 ( 0.108 8.077 2.434) 8.437 9.517 ( 6.459 -17.057 7.610) 19.763 9.786 ( -1.235 1.785 6.980) 7.309 10.144 ( -2.880 9.207 -3.607) 10.299 10.392 ( 1.070 1.744 2.909) 3.557 10.610 ( -5.368 -0.559 7.001) 8.839 10.622 ( 1.951 1.995 10.142) 10.518 10.735 ( 3.231 11.270 4.316) 12.493 12.191 ( -1.250 -9.375 4.982) 10.690 12.447 ( 1.392 7.558 2.925) 8.223 12.874 ( 0.363 -6.410 5.604) 8.522 13.022 ( -1.190 -1.065 -0.192) 1.608 13.093 ( 0.519 3.032 4.438) 5.400 14.925 ( -4.635 -11.412 -9.330) 15.452 15.100 ( 13.646 -6.584 -1.185) 15.198 15.275 ( -11.425 -3.740 -3.434) 12.503 15.555 ( 0.441 -4.284 -1.567) 4.583 15.758 ( 2.882 5.026 -3.423) 6.729 16.381 ( -0.786 11.639 2.672) 11.968 18.098 ( -0.002 -2.044 13.062) 13.221 ======================= Grid point 66 (30/60) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.791 4.498 0.368) 4.582 1.079 ( -3.357 -2.222 11.865) 12.530 1.391 ( 5.703 -3.225 10.366) 12.263 1.666 ( -8.069 -5.315 4.188) 10.531 1.746 ( -3.754 -4.035 2.894) 6.225 1.837 ( -3.372 -3.246 0.301) 4.690 1.936 ( -7.206 -0.644 -7.735) 10.591 2.077 ( 1.774 -0.812 1.597) 2.521 2.193 ( 6.753 2.477 4.121) 8.290 2.395 ( 8.790 -0.778 3.391) 9.454 2.406 ( -2.923 -9.196 -5.404) 11.060 2.540 ( 2.074 10.366 -0.211) 10.574 2.803 ( -8.954 -8.053 -10.339) 15.872 2.963 ( -3.537 -6.113 -4.024) 8.129 3.048 ( 6.902 3.126 19.496) 20.917 3.201 ( 8.621 1.757 0.167) 8.800 3.406 ( -12.534 5.712 1.673) 13.876 3.628 ( -2.154 -4.096 1.303) 4.808 3.769 ( 1.856 4.971 -7.511) 9.197 3.978 ( 4.471 4.249 -5.998) 8.603 4.048 ( 2.382 2.444 2.908) 4.484 4.344 ( 19.067 6.974 -6.684) 21.375 4.514 ( -2.938 7.297 -11.873) 14.242 4.563 ( 3.764 -10.819 -12.100) 16.662 4.732 ( -1.403 5.563 2.376) 6.210 4.963 ( 2.277 14.141 -6.310) 15.652 5.171 ( -2.811 -1.569 -4.736) 5.726 5.406 ( 12.336 1.937 -7.615) 14.626 5.666 ( 0.598 9.777 -10.260) 14.185 5.765 ( 11.925 0.263 -18.413) 21.938 5.835 ( 3.869 2.074 -11.605) 12.407 6.216 ( 7.125 6.874 -3.826) 10.614 6.589 ( -2.924 -3.819 -8.686) 9.929 7.121 ( -13.064 13.226 -13.660) 23.069 7.348 ( -3.945 5.354 4.467) 8.011 7.521 ( 1.692 -19.515 2.700) 19.774 7.780 ( 7.011 2.198 1.892) 7.587 8.428 ( -3.766 -3.234 2.783) 5.691 8.557 ( -5.964 -6.275 0.499) 8.671 8.843 ( 5.117 -5.546 19.764) 21.156 8.999 ( -1.460 3.649 2.326) 4.567 9.527 ( 0.709 -13.663 3.347) 14.085 9.881 ( -1.644 2.893 7.039) 7.786 10.121 ( -0.479 -0.596 -1.066) 1.312 10.467 ( 0.587 1.186 3.320) 3.573 10.579 ( -5.960 -1.209 5.020) 7.886 10.779 ( -4.892 0.210 10.618) 11.693 10.999 ( 8.473 19.474 2.501) 21.384 12.163 ( 0.864 -12.675 4.633) 13.523 12.534 ( -0.192 3.990 1.590) 4.299 12.869 ( -7.255 -0.195 6.959) 10.054 12.969 ( -3.128 -0.698 0.753) 3.292 13.212 ( 2.451 -1.258 5.749) 6.375 14.596 ( -10.212 -5.943 -11.467) 16.465 14.975 ( -13.450 -12.826 -1.183) 18.622 15.228 ( 13.946 -6.012 -3.469) 15.578 15.558 ( 1.855 2.232 -1.504) 3.269 15.773 ( -0.358 6.113 -3.236) 6.926 16.524 ( 3.018 8.551 2.300) 9.355 18.198 ( -4.458 -3.360 10.290) 11.707 ======================= Grid point 67 (31/60) ======================= q-point: (-0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -4.913 -2.160 -3.280) 6.290 1.064 ( -7.722 -2.962 1.652) 8.434 1.445 ( -2.595 -1.496 5.720) 6.457 1.574 ( -1.416 -1.823 -4.968) 5.478 1.590 ( -4.550 -7.477 -10.014) 13.300 1.866 ( 0.945 1.025 4.761) 4.961 1.891 ( -0.684 2.756 9.403) 9.822 2.066 ( 1.208 -2.847 -4.955) 5.841 2.199 ( -4.772 -8.883 -4.821) 11.176 2.307 ( 6.018 -1.423 -6.748) 9.154 2.522 ( -4.960 -0.995 0.889) 5.136 2.653 ( 15.513 3.405 4.027) 16.385 2.680 ( 4.419 4.031 3.255) 6.809 2.874 ( -4.564 0.958 3.686) 5.945 3.202 ( -16.620 4.271 6.094) 18.210 3.287 ( 4.285 -5.334 -3.148) 7.531 3.453 ( 4.468 -0.195 10.129) 11.072 3.665 ( 6.850 0.527 3.325) 7.633 3.759 ( -0.844 7.344 -2.898) 7.940 3.858 ( 1.911 7.180 -10.312) 12.710 4.213 ( -6.551 0.735 -13.426) 14.957 4.316 ( 17.006 -0.793 -4.497) 17.608 4.450 ( 3.659 -4.569 -5.687) 8.161 4.549 ( 7.041 5.253 -5.349) 10.285 4.867 ( 7.408 6.176 6.280) 11.509 5.098 ( -1.488 13.029 -0.208) 13.116 5.186 ( 16.928 2.548 0.106) 17.119 5.419 ( 2.926 2.534 -9.836) 10.570 5.756 ( 8.894 8.654 -1.553) 12.506 5.811 ( 10.100 -0.200 -8.876) 13.447 5.896 ( 17.193 13.049 -3.902) 21.934 6.316 ( 7.864 -2.600 -2.529) 8.660 6.498 ( -6.036 3.562 4.715) 8.447 6.863 ( -7.626 8.058 -16.159) 19.601 7.226 ( -5.050 -11.130 1.204) 12.281 7.522 ( 5.594 2.940 -3.289) 7.124 7.893 ( 6.216 3.274 -6.671) 9.688 8.276 ( -13.934 -2.371 -0.001) 14.134 8.445 ( -5.476 -1.596 -0.107) 5.705 8.956 ( -0.402 -8.615 8.407) 12.044 9.242 ( 9.482 0.956 10.852) 14.442 9.419 ( -3.167 -11.904 3.971) 12.942 9.940 ( 1.114 0.593 -0.344) 1.308 10.082 ( -3.015 -7.826 3.415) 9.055 10.465 ( -5.579 0.491 0.664) 5.640 10.587 ( -7.201 2.754 9.257) 12.047 10.736 ( -12.476 -3.493 5.377) 14.028 11.305 ( 9.892 17.607 -0.786) 20.211 12.101 ( 1.565 -16.129 0.692) 16.220 12.570 ( -0.364 2.855 0.894) 3.013 12.812 ( -11.806 -0.155 5.685) 13.104 13.000 ( 0.292 2.571 5.180) 5.790 13.236 ( -4.457 -5.306 3.009) 7.555 14.285 ( -7.055 -1.268 -11.686) 13.709 14.714 ( -8.246 -10.195 1.937) 13.255 15.306 ( 9.795 -6.530 -2.645) 12.065 15.573 ( -0.309 6.188 -3.970) 7.358 15.784 ( -0.036 4.314 -0.751) 4.379 16.638 ( 1.124 3.972 2.230) 4.692 18.170 ( -9.105 -5.292 5.984) 12.112 ======================= Grid point 68 (32/60) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -5.653 6.106 -9.284) 12.468 0.862 ( -10.568 -6.804 -3.608) 13.076 1.341 ( 1.454 -6.247 -12.682) 14.212 1.549 ( 7.261 1.021 -3.973) 8.340 1.583 ( 3.791 5.323 9.717) 11.710 1.853 ( -8.703 -9.200 -4.295) 13.373 1.889 ( -2.390 -0.216 -6.567) 6.991 2.000 ( -0.928 1.096 4.063) 4.309 2.098 ( 3.606 -3.151 0.030) 4.789 2.383 ( 1.485 3.736 3.911) 5.608 2.425 ( -1.931 -5.087 -3.098) 6.261 2.780 ( -6.953 1.592 3.014) 7.743 2.834 ( 5.528 -1.395 1.484) 5.892 2.898 ( -2.601 5.223 -1.414) 6.003 3.196 ( -0.836 4.039 3.996) 5.742 3.262 ( 10.385 -1.943 1.011) 10.613 3.532 ( 1.228 -5.354 -5.372) 7.683 3.707 ( 5.846 -1.910 -5.597) 8.316 3.753 ( 1.221 -1.688 -3.994) 4.504 3.923 ( 4.151 9.959 -1.995) 10.973 4.137 ( 1.485 7.033 -2.375) 7.571 4.378 ( 6.119 14.734 -12.471) 20.250 4.431 ( 3.777 -1.310 4.656) 6.137 4.739 ( 13.161 -1.539 4.102) 13.871 5.048 ( 0.697 -0.184 3.083) 3.167 5.235 ( 7.639 12.082 6.049) 15.522 5.410 ( 9.803 0.815 -1.666) 9.977 5.566 ( 15.251 12.728 2.407) 20.010 5.812 ( 8.084 -5.027 -6.476) 11.514 5.907 ( 7.271 4.849 -4.579) 9.866 6.181 ( 4.449 9.639 0.566) 10.631 6.375 ( -7.512 -5.303 8.334) 12.410 6.559 ( 10.265 4.402 6.550) 12.948 6.674 ( 3.538 -0.849 -10.369) 10.989 7.219 ( 8.548 4.747 -1.833) 9.948 7.629 ( 9.415 4.939 -3.158) 11.091 7.784 ( -0.939 4.829 -16.236) 16.965 8.072 ( -15.353 -3.091 3.158) 15.976 8.372 ( -4.846 0.309 1.273) 5.020 8.939 ( -5.833 -8.446 2.486) 10.562 9.217 ( -3.704 -7.593 1.325) 8.551 9.618 ( 11.481 -4.731 11.555) 16.962 9.887 ( -0.304 -0.724 -9.394) 9.426 9.999 ( -7.107 -10.667 7.635) 14.919 10.374 ( -2.256 0.994 -5.298) 5.844 10.517 ( -22.786 1.524 10.619) 25.185 10.654 ( -4.110 -1.664 5.045) 6.717 11.511 ( 4.474 9.769 -3.585) 11.327 11.942 ( -2.096 -11.556 -5.711) 13.060 12.579 ( -0.792 2.152 -3.250) 3.978 12.711 ( -9.298 -5.515 6.602) 12.667 13.056 ( -3.187 -5.866 -1.537) 6.850 13.128 ( -4.838 1.096 5.076) 7.097 14.130 ( -3.400 2.952 1.256) 4.674 14.657 ( 4.215 -5.387 2.815) 7.397 15.347 ( 5.997 -4.719 -0.175) 7.633 15.542 ( -3.581 9.501 -6.214) 11.904 15.823 ( 1.032 0.847 1.663) 2.133 16.671 ( -3.142 0.448 2.331) 3.938 18.019 ( -11.991 -6.651 2.665) 13.969 ======================= Grid point 69 (33/60) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -12.659 -0.897 -2.039) 12.853 0.765 ( -6.332 9.013 7.058) 13.083 1.259 ( 10.402 -5.020 -5.547) 12.813 1.513 ( -17.965 -5.441 -1.530) 18.833 1.626 ( 2.763 -0.190 -1.578) 3.188 1.756 ( 3.615 -5.021 -0.899) 6.252 1.874 ( 6.321 11.303 -0.121) 12.952 2.030 ( 0.881 1.715 -2.987) 3.555 2.108 ( 3.527 -1.743 -1.517) 4.216 2.336 ( 1.179 -2.905 0.419) 3.164 2.479 ( -2.813 -2.218 0.425) 3.607 2.653 ( -4.871 -1.007 1.505) 5.196 2.783 ( -7.758 0.978 -4.166) 8.860 2.941 ( 7.732 -6.031 -4.925) 10.974 3.168 ( 2.803 -1.896 -0.663) 3.448 3.422 ( -0.789 5.680 -6.629) 8.765 3.524 ( 8.200 5.583 -3.119) 10.398 3.662 ( 11.027 -4.525 -6.008) 13.348 3.837 ( 4.394 2.944 5.709) 7.783 3.971 ( 2.361 5.480 -5.181) 7.903 4.133 ( -1.117 -5.281 1.930) 5.732 4.406 ( -0.901 18.034 -10.689) 20.984 4.659 ( 5.476 3.457 8.915) 11.019 4.831 ( -2.557 1.997 -3.635) 4.872 5.129 ( 5.945 -2.282 4.587) 7.848 5.442 ( 5.116 -4.893 -3.164) 7.754 5.542 ( 4.567 6.319 2.423) 8.165 5.768 ( -0.770 -0.143 -2.076) 2.219 5.983 ( 6.216 -0.499 0.416) 6.250 6.008 ( 17.103 22.905 -6.631) 29.345 6.224 ( -1.088 -5.009 6.614) 8.368 6.281 ( 4.359 2.050 -0.874) 4.895 6.648 ( 13.116 -11.357 -1.168) 17.389 6.930 ( 9.743 2.898 -0.407) 10.173 7.359 ( 4.251 12.131 -2.120) 13.028 7.636 ( 5.580 10.828 -5.028) 13.178 7.823 ( -9.035 -2.458 -0.930) 9.410 7.930 ( 7.381 4.248 7.340) 11.243 8.323 ( -5.849 -3.075 3.435) 7.448 8.646 ( -18.092 -14.556 -5.487) 23.860 9.152 ( -4.094 -0.821 -2.525) 4.880 9.685 ( -4.954 -2.402 -10.222) 11.610 9.742 ( -4.634 -13.443 6.762) 15.745 10.003 ( 4.653 0.858 6.620) 8.137 10.340 ( 2.664 5.302 -3.935) 7.120 10.376 ( -13.055 -0.873 7.685) 15.174 10.610 ( -4.568 -4.074 1.312) 6.260 11.313 ( -20.507 -3.317 -10.017) 23.062 11.911 ( 6.461 6.176 -0.452) 8.949 12.495 ( -0.827 -5.480 -2.413) 6.044 12.616 ( -7.566 -8.808 6.174) 13.151 12.960 ( 0.659 -2.807 -0.404) 2.912 13.146 ( -2.626 2.016 0.809) 3.408 14.318 ( 7.702 5.408 16.532) 19.023 14.767 ( 13.822 -5.243 -0.492) 14.791 15.412 ( 4.718 0.291 -0.596) 4.764 15.496 ( -4.647 11.351 -2.080) 12.440 15.846 ( -0.769 -2.578 1.987) 3.344 16.615 ( -7.878 -1.605 1.796) 8.238 17.833 ( -10.445 -5.668 3.434) 12.370 ======================= Grid point 72 (34/60) ======================= q-point: ( 0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -1.641 1.438 1.830) 2.848 1.066 ( 11.149 -1.979 13.128) 17.337 1.201 ( -5.321 -10.076 14.520) 18.457 1.661 ( 7.092 -5.486 0.884) 9.010 1.854 ( 0.277 -0.019 3.535) 3.546 1.860 ( 5.301 -4.596 -3.212) 7.716 1.943 ( 6.519 0.907 -0.772) 6.627 2.072 ( -3.931 0.474 4.908) 6.306 2.147 ( -0.996 -2.624 3.380) 4.394 2.392 ( -3.724 -2.657 -7.311) 8.624 2.461 ( -6.964 -1.088 -4.800) 8.528 2.580 ( -3.748 6.429 0.060) 7.442 2.682 ( 5.499 -0.839 -0.050) 5.563 2.941 ( 2.803 -12.229 -5.281) 13.612 3.031 ( -2.436 0.084 20.716) 20.859 3.265 ( -10.536 3.268 -6.115) 12.613 3.387 ( 17.960 2.289 -0.023) 18.106 3.734 ( 4.738 1.650 -3.437) 6.081 3.754 ( -0.914 4.825 -0.367) 4.925 3.899 ( -6.386 1.866 -5.958) 8.931 3.938 ( -5.400 3.045 -0.492) 6.219 4.390 ( -1.211 -3.992 -9.535) 10.407 4.435 ( -11.787 0.803 -1.709) 11.937 4.758 ( -2.071 6.410 -0.196) 6.739 4.891 ( -0.388 7.737 -6.633) 10.198 4.939 ( -11.599 22.187 -6.110) 25.771 5.212 ( 4.548 3.023 -11.881) 13.076 5.388 ( -8.232 -4.267 -7.223) 11.753 5.437 ( -4.242 -12.726 -11.199) 17.474 5.635 ( 0.496 12.048 -15.264) 19.453 5.913 ( -7.383 -2.150 -6.333) 9.962 6.243 ( -6.469 9.752 -10.409) 15.662 6.592 ( 1.098 -4.503 -16.225) 16.874 7.134 ( 9.059 18.053 -2.839) 20.396 7.393 ( 9.201 -2.529 8.045) 12.481 7.590 ( -13.064 0.432 -5.353) 14.125 7.802 ( -2.762 -6.614 4.912) 8.689 8.327 ( 4.756 -7.173 -1.004) 8.665 8.542 ( 8.160 -9.719 4.807) 13.570 8.925 ( -8.940 6.389 7.854) 13.506 9.010 ( 4.475 -1.028 5.734) 7.346 9.510 ( -4.413 -12.988 12.518) 18.570 9.778 ( 6.858 -4.238 3.896) 8.955 10.233 ( -0.643 6.540 0.328) 6.580 10.381 ( 2.621 -5.378 1.949) 6.293 10.694 ( 3.431 -0.520 5.434) 6.447 10.815 ( -2.592 8.169 9.133) 12.525 10.889 ( -1.514 13.200 2.957) 13.612 12.227 ( -5.317 -11.265 6.337) 13.976 12.481 ( 4.337 3.860 0.654) 5.842 12.840 ( 6.299 -0.995 4.378) 7.735 12.979 ( 4.365 -1.497 1.833) 4.965 13.230 ( -2.868 0.222 5.914) 6.577 14.600 ( 11.316 -6.254 -12.877) 18.248 14.918 ( 7.217 -11.598 1.760) 13.773 15.334 ( -10.662 -10.542 -3.466) 15.389 15.565 ( -2.366 5.475 -0.711) 6.007 15.686 ( 3.414 5.375 -5.137) 8.181 16.546 ( -3.626 9.267 2.129) 10.177 18.199 ( 4.465 -3.385 10.453) 11.860 ======================= Grid point 73 (35/60) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 1.125 2.697 -1.657) 3.359 1.153 ( 1.290 -11.263 -0.603) 11.352 1.383 ( 3.165 -1.636 11.805) 12.331 1.691 ( 1.967 -3.300 -5.272) 6.523 1.791 ( 3.135 -2.348 -3.248) 5.088 1.893 ( -9.208 -2.247 -2.794) 9.881 1.930 ( -5.394 4.380 -3.642) 7.845 2.089 ( -0.953 -6.398 3.613) 7.409 2.181 ( 3.124 1.388 7.671) 8.398 2.193 ( 1.215 -2.177 -12.935) 13.174 2.317 ( 3.171 -11.468 2.671) 12.195 2.612 ( 5.067 -1.361 -1.561) 5.474 2.679 ( -2.344 1.612 -3.419) 4.448 2.899 ( 1.847 -0.602 1.950) 2.752 3.058 ( -3.100 1.223 -3.380) 4.747 3.276 ( 2.121 -1.805 10.473) 10.837 3.631 ( 7.262 2.386 -0.897) 7.696 3.671 ( -6.616 1.398 -1.357) 6.896 3.754 ( -6.277 6.344 4.204) 9.866 3.886 ( 6.303 1.774 1.149) 6.648 4.093 ( 11.602 12.326 0.835) 16.949 4.188 ( -12.407 -2.785 -4.214) 13.396 4.269 ( 2.197 0.052 -7.643) 7.953 4.629 ( -17.314 2.811 -8.521) 19.501 4.823 ( 0.232 5.296 1.158) 5.426 5.044 ( 0.071 19.076 -1.330) 19.122 5.207 ( -1.843 6.036 -0.897) 6.375 5.223 ( 12.064 -6.966 -15.523) 20.857 5.278 ( 2.096 3.638 -1.210) 4.369 5.575 ( 1.905 6.995 -4.420) 8.491 5.781 ( -1.431 3.631 -6.932) 7.955 6.179 ( 1.108 11.426 -5.450) 12.707 6.434 ( 5.908 3.897 -12.443) 14.315 7.242 ( -10.273 19.171 -16.619) 27.372 7.444 ( 2.482 3.958 -0.074) 4.673 7.461 ( -5.960 -10.519 4.203) 12.800 7.702 ( -0.097 -8.715 0.636) 8.739 8.372 ( 9.404 -5.883 -1.384) 11.179 8.567 ( -2.227 -4.294 -0.308) 4.847 8.956 ( -3.251 -14.098 11.326) 18.374 9.085 ( 3.441 6.868 3.917) 8.623 9.514 ( -5.056 -13.600 11.789) 18.695 9.852 ( 5.765 -12.263 5.028) 14.453 10.196 ( -6.288 7.314 -4.083) 10.474 10.497 ( 6.431 -1.121 6.686) 9.344 10.681 ( -6.388 -1.721 3.190) 7.344 11.019 ( 0.097 12.234 6.604) 13.903 11.083 ( 4.120 11.106 3.078) 12.239 12.114 ( -3.255 -17.164 4.290) 17.989 12.556 ( 1.880 1.528 0.600) 2.496 12.956 ( 2.929 2.175 3.928) 5.361 13.026 ( -0.751 -1.840 1.755) 2.651 13.282 ( -1.012 -2.312 7.523) 7.935 14.443 ( 0.028 -4.092 -15.649) 16.175 14.982 ( 9.849 -8.058 1.443) 12.807 15.038 ( -12.640 -10.628 -1.562) 16.588 15.572 ( -0.428 4.103 -0.678) 4.181 15.734 ( 3.958 6.685 -4.441) 8.949 16.618 ( -0.864 8.212 2.165) 8.536 18.313 ( -0.155 -5.175 7.248) 8.907 ======================= Grid point 74 (36/60) ======================= q-point: (-0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -9.948 -1.852 -5.236) 11.393 1.008 ( 2.135 -8.498 -7.147) 11.307 1.401 ( -2.346 -2.749 -20.593) 20.908 1.486 ( 1.412 -3.247 4.174) 5.473 1.524 ( -8.527 2.048 -12.326) 15.127 1.883 ( 1.244 -1.354 -5.084) 5.406 1.982 ( 4.115 1.782 -0.755) 4.548 2.009 ( -1.748 -6.298 1.452) 6.695 2.133 ( 3.522 1.420 -0.482) 3.828 2.219 ( -7.210 -5.853 7.923) 12.207 2.493 ( 14.792 -1.698 5.155) 15.756 2.630 ( -1.457 -2.105 7.265) 7.703 2.718 ( 0.594 4.893 0.384) 4.944 2.926 ( 5.349 -0.787 -0.480) 5.428 3.084 ( 2.199 3.293 -0.556) 3.999 3.323 ( 6.547 -8.866 -3.988) 11.721 3.623 ( -8.229 3.528 -0.958) 9.005 3.693 ( 2.589 2.067 4.152) 5.311 3.776 ( -10.873 0.845 -2.859) 11.274 3.811 ( -2.207 3.213 -6.659) 7.716 4.045 ( 2.391 -1.463 -2.588) 3.815 4.208 ( 0.742 15.350 -4.460) 16.002 4.383 ( 2.950 1.791 2.154) 4.068 4.472 ( 5.767 4.122 -1.057) 7.167 4.884 ( 3.901 1.179 2.567) 4.816 5.136 ( -1.353 7.193 7.074) 10.178 5.234 ( 12.932 3.495 -6.193) 14.758 5.271 ( -2.818 7.441 2.041) 8.214 5.444 ( 11.915 6.869 -3.787) 14.265 5.713 ( 7.390 7.192 1.248) 10.387 5.880 ( 11.562 13.226 8.128) 19.357 6.189 ( 1.363 1.859 -4.710) 5.244 6.577 ( 11.636 14.329 -1.447) 18.515 6.954 ( -16.357 15.704 -15.402) 27.411 7.186 ( -9.667 -27.476 4.833) 29.526 7.537 ( -2.143 16.169 -5.767) 17.300 7.677 ( 7.473 4.142 -12.751) 15.349 8.368 ( -0.773 -2.676 -7.422) 7.928 8.464 ( -4.013 -3.285 2.254) 5.655 8.939 ( 1.872 -15.351 6.981) 16.967 9.320 ( 6.167 3.089 11.622) 13.514 9.430 ( -6.316 -17.663 9.546) 21.047 9.860 ( 2.151 -12.689 2.761) 13.163 10.119 ( -3.948 4.555 -3.264) 6.855 10.571 ( -8.820 -2.673 0.931) 9.263 10.655 ( 4.413 -2.442 4.339) 6.654 11.065 ( -12.334 0.683 6.173) 13.809 11.292 ( 8.472 18.170 -3.854) 20.415 11.961 ( -1.396 -20.178 1.286) 20.267 12.592 ( 0.390 0.855 0.838) 1.259 12.969 ( -6.035 -2.949 1.418) 6.865 13.058 ( 1.630 0.867 3.111) 3.618 13.308 ( -3.294 -6.792 4.654) 8.868 14.220 ( -3.476 4.561 -11.157) 12.545 14.777 ( -10.930 -8.938 1.079) 14.161 15.096 ( 10.641 -3.750 0.204) 11.284 15.594 ( 0.054 4.673 -1.616) 4.945 15.783 ( 2.074 5.054 -2.096) 5.851 16.695 ( 0.221 4.436 1.822) 4.800 18.286 ( -5.541 -7.381 3.031) 9.715 ======================= Grid point 75 (37/60) ======================= q-point: (-0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 6.035 8.262 -29.587) 31.306 0.919 ( -7.971 -6.390 1.781) 10.370 1.180 ( -4.187 -8.211 -4.441) 10.231 1.353 ( 8.694 2.753 -8.044) 12.161 1.654 ( 6.279 5.299 5.365) 9.812 1.721 ( 0.862 -3.678 -14.826) 15.299 1.894 ( -7.743 -3.209 -0.543) 8.399 2.054 ( 1.944 0.941 -0.105) 2.162 2.121 ( -4.558 3.608 4.472) 7.334 2.322 ( 3.177 -2.853 2.162) 4.786 2.572 ( -3.722 0.037 4.964) 6.204 2.702 ( 4.873 -3.419 -4.798) 7.645 2.765 ( 4.325 -1.179 -1.758) 4.816 3.021 ( 7.708 -2.637 -0.610) 8.169 3.089 ( -9.379 1.536 2.608) 9.856 3.244 ( 3.675 -12.721 -7.238) 15.090 3.429 ( -7.363 3.700 1.410) 8.360 3.593 ( 0.302 6.120 -3.870) 7.248 3.841 ( -1.496 0.645 7.970) 8.135 3.886 ( 3.273 8.237 -4.434) 9.911 4.032 ( 8.503 0.371 -7.192) 11.143 4.338 ( 1.876 19.685 -2.026) 19.878 4.533 ( 3.079 5.072 11.523) 12.961 4.620 ( 11.834 -0.433 0.340) 11.847 5.010 ( 6.872 1.662 0.700) 7.105 5.229 ( 3.607 -2.625 3.713) 5.805 5.357 ( 4.994 14.277 -1.749) 15.226 5.521 ( 13.566 -2.118 1.349) 13.797 5.596 ( 7.992 10.619 8.929) 16.011 5.845 ( 4.092 3.705 -1.835) 5.817 6.169 ( 2.426 3.666 -3.629) 5.700 6.396 ( 9.600 11.007 9.333) 17.332 6.622 ( -2.283 14.225 -9.006) 16.990 6.728 ( -13.988 -17.652 8.245) 23.984 7.127 ( 12.264 7.143 3.594) 14.640 7.515 ( -0.880 7.158 -12.172) 14.149 7.658 ( 4.750 20.401 -12.025) 24.153 8.200 ( -7.059 -8.072 -1.994) 10.906 8.430 ( -1.423 0.716 -0.195) 1.605 8.910 ( 0.375 -8.100 -1.065) 8.178 9.270 ( -9.324 -17.489 8.657) 21.628 9.589 ( 9.060 -6.344 11.789) 16.165 9.774 ( -2.893 -4.805 -4.400) 7.128 10.100 ( -0.743 -2.209 4.620) 5.175 10.391 ( -9.794 -1.406 -3.883) 10.629 10.653 ( -2.648 -9.062 -2.468) 9.758 10.910 ( -13.316 -2.038 2.437) 13.689 11.489 ( 5.637 13.739 -3.742) 15.314 11.809 ( 1.054 -14.342 0.588) 14.392 12.573 ( -3.960 0.151 -2.335) 4.599 12.858 ( -7.946 -5.256 2.624) 9.882 13.038 ( -3.904 -8.329 -0.172) 9.200 13.221 ( -2.914 -2.785 -0.093) 4.032 14.213 ( 1.906 12.278 0.561) 12.438 14.618 ( -4.704 -7.528 1.921) 9.082 15.224 ( 8.630 -0.222 0.673) 8.659 15.600 ( -1.666 6.321 -2.489) 6.995 15.826 ( 1.449 2.116 0.078) 2.565 16.732 ( -0.934 0.582 1.159) 1.598 18.131 ( -8.907 -8.671 0.427) 12.438 ======================= Grid point 76 (38/60) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 12.197 11.001 4.458) 17.020 0.805 ( 2.768 -0.563 4.176) 5.041 1.095 ( 1.028 -6.529 4.098) 7.777 1.436 ( 1.898 0.098 -14.121) 14.248 1.516 ( 5.737 -4.039 -1.536) 7.183 1.733 ( -2.443 -1.829 0.490) 3.091 1.847 ( 1.496 3.417 -0.614) 3.780 2.089 ( 1.070 1.272 1.678) 2.362 2.150 ( -4.872 4.301 4.269) 7.775 2.293 ( 1.222 0.108 -2.230) 2.545 2.481 ( -6.262 -4.637 -7.282) 10.665 2.691 ( 1.420 -0.936 2.620) 3.124 2.800 ( 0.952 -0.375 -0.982) 1.419 2.901 ( -9.645 -3.768 2.556) 10.666 2.994 ( 2.238 -8.126 -6.143) 10.429 3.204 ( 9.678 -11.607 -2.692) 15.350 3.501 ( 4.014 12.094 -1.421) 12.821 3.687 ( -5.324 11.579 0.890) 12.775 3.858 ( 2.284 5.256 -2.641) 6.310 3.963 ( 3.209 2.657 7.946) 8.972 4.108 ( 2.863 -1.031 0.619) 3.106 4.458 ( -1.052 11.972 -3.287) 12.460 4.717 ( 3.371 1.977 4.153) 5.702 4.772 ( 5.585 5.152 -2.901) 8.133 5.091 ( 4.337 -2.600 -1.720) 5.341 5.280 ( 2.743 -7.108 -1.919) 7.857 5.550 ( 4.248 2.290 3.901) 6.205 5.648 ( 15.464 6.979 -0.948) 16.992 5.910 ( 4.511 5.862 -1.526) 7.553 6.063 ( 4.213 19.716 6.087) 21.060 6.143 ( 4.747 -2.973 -3.502) 6.606 6.230 ( -5.779 6.133 -12.113) 14.756 6.534 ( -2.013 -8.504 3.912) 9.575 6.875 ( -0.141 -1.397 2.472) 2.843 7.403 ( 5.270 7.278 2.398) 9.300 7.533 ( 13.357 19.187 -3.846) 23.693 7.855 ( 6.627 10.123 1.681) 12.216 8.002 ( -5.323 -8.955 4.670) 11.416 8.427 ( -3.804 1.933 1.810) 4.634 8.683 ( -14.023 -9.777 -10.063) 19.837 9.166 ( -1.121 -5.896 2.700) 6.581 9.590 ( -4.539 -1.161 -9.714) 10.785 9.765 ( 2.433 -16.888 15.283) 22.906 10.100 ( -7.653 -1.668 4.614) 9.091 10.278 ( 2.308 2.229 -5.255) 6.157 10.403 ( -3.683 -9.390 -7.838) 12.774 10.761 ( -8.502 -2.964 2.045) 9.233 11.498 ( -9.571 -0.168 1.246) 9.653 11.860 ( 7.332 7.116 0.027) 10.217 12.428 ( -4.634 -5.903 -2.060) 7.782 12.738 ( -7.257 -8.732 4.315) 12.146 12.927 ( -1.351 -5.864 0.626) 6.050 13.183 ( -0.768 1.042 -1.761) 2.185 14.420 ( 5.922 8.761 5.954) 12.136 14.565 ( 4.434 -6.605 -0.154) 7.957 15.345 ( 5.696 4.273 -1.102) 7.205 15.610 ( -1.488 6.844 0.127) 7.005 15.846 ( 0.070 -1.594 0.278) 1.619 16.702 ( -3.781 -1.544 0.097) 4.086 17.948 ( -7.571 -7.684 1.920) 10.957 ======================= Grid point 79 (39/60) ======================= q-point: ( 0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 7.938 -10.465 -2.125) 13.306 1.060 ( 5.174 2.730 1.496) 6.038 1.378 ( -0.693 -3.173 9.608) 10.142 1.560 ( 0.202 -1.050 -3.467) 3.628 1.716 ( 5.235 -2.261 -6.585) 8.711 1.869 ( 3.314 3.332 10.010) 11.058 1.912 ( 0.791 1.982 4.306) 4.805 2.090 ( 3.366 -5.605 -8.823) 10.982 2.169 ( -5.993 -4.316 1.041) 7.459 2.283 ( -3.395 -4.918 -5.562) 8.163 2.491 ( 0.651 -4.020 -2.466) 4.761 2.600 ( -2.329 -2.257 -3.525) 4.790 2.715 ( -11.542 7.385 -2.662) 13.959 2.944 ( -3.072 8.387 8.983) 12.668 3.135 ( 19.220 -2.666 4.398) 19.896 3.294 ( -7.983 -2.958 -0.273) 8.518 3.432 ( -7.176 0.638 10.959) 13.115 3.554 ( 7.226 -4.136 -3.076) 8.876 3.818 ( -1.941 8.562 0.008) 8.779 3.909 ( -5.470 6.727 -5.794) 10.428 4.093 ( -3.399 4.515 -1.505) 5.849 4.302 ( -6.262 -0.750 -12.768) 14.241 4.632 ( -14.926 5.162 0.696) 15.808 4.715 ( 4.281 -0.472 -2.142) 4.810 4.913 ( -2.122 -0.030 0.529) 2.187 5.024 ( 1.254 3.683 -3.734) 5.392 5.170 ( -2.269 10.552 -7.827) 13.333 5.403 ( -13.922 11.466 -7.493) 19.531 5.536 ( -17.738 -0.026 0.421) 17.743 5.737 ( -10.170 7.476 -0.849) 12.651 5.940 ( -12.052 -4.031 -2.999) 13.058 6.270 ( -1.526 4.032 -5.288) 6.822 6.387 ( -5.309 0.781 -14.894) 15.832 7.114 ( 7.848 9.418 -0.108) 12.260 7.322 ( 6.590 6.482 1.231) 9.325 7.717 ( -8.255 5.312 -5.038) 11.033 7.811 ( 0.650 -6.156 2.613) 6.719 8.119 ( 5.064 -4.372 -11.319) 13.149 8.390 ( 8.865 -6.213 2.318) 11.071 8.938 ( 3.892 -8.136 4.648) 10.146 9.254 ( -12.913 0.130 8.310) 15.357 9.540 ( 8.770 -10.103 6.439) 14.847 9.825 ( -6.833 0.641 9.187) 11.467 10.227 ( 11.043 -3.423 6.804) 13.415 10.321 ( -2.085 -3.261 -3.395) 5.149 10.650 ( 12.234 0.522 4.939) 13.204 10.807 ( 13.569 -0.088 1.039) 13.609 11.193 ( -14.983 14.586 1.609) 20.972 12.239 ( -1.830 -18.061 0.073) 18.153 12.446 ( 4.269 6.273 2.126) 7.880 12.831 ( 5.572 3.768 5.220) 8.514 12.956 ( 2.414 -2.638 5.895) 6.894 13.254 ( 4.542 -3.896 0.962) 6.060 14.277 ( 7.394 -1.931 -10.228) 12.768 14.756 ( 7.300 -8.155 4.712) 11.916 15.323 ( -6.618 -8.047 -5.402) 11.736 15.619 ( 3.779 9.455 -3.023) 10.621 15.673 ( -6.595 1.075 -1.191) 6.787 16.657 ( -0.529 4.306 1.406) 4.561 18.175 ( 9.180 -5.147 6.428) 12.332 ======================= Grid point 80 (40/60) ======================= q-point: ( 0.43 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 8.492 -4.605 -7.321) 12.121 1.112 ( -2.952 3.247 0.310) 4.399 1.414 ( 1.602 0.022 -4.453) 4.732 1.503 ( 2.005 -3.305 -10.080) 10.796 1.676 ( 5.070 1.440 -4.999) 7.264 1.842 ( -6.188 -2.772 -11.381) 13.248 1.942 ( -3.222 -3.426 -6.154) 7.746 2.048 ( 5.232 -9.334 0.787) 10.729 2.107 ( -2.279 3.452 -0.082) 4.137 2.263 ( 6.787 0.771 14.148) 15.711 2.365 ( -12.353 -6.266 3.019) 14.176 2.494 ( 1.712 -2.059 1.154) 2.916 2.740 ( 0.089 7.688 1.864) 7.911 2.957 ( -4.766 -3.208 -0.904) 5.816 3.144 ( -5.908 5.879 1.334) 8.441 3.284 ( -2.492 -10.125 0.961) 10.471 3.495 ( 5.936 0.383 -3.733) 7.023 3.685 ( 15.491 0.118 0.224) 15.493 3.774 ( -7.119 6.121 -8.112) 12.408 3.870 ( -1.654 5.013 0.030) 5.279 4.126 ( -0.136 4.184 -0.543) 4.221 4.260 ( 0.793 8.988 5.237) 10.433 4.443 ( -13.834 3.699 0.316) 14.323 4.658 ( -5.650 -7.327 -2.842) 9.679 4.878 ( 2.854 1.940 -1.916) 3.947 4.978 ( -6.607 3.714 1.322) 7.694 5.220 ( -1.757 14.776 -4.125) 15.441 5.316 ( -2.733 10.031 2.126) 10.612 5.427 ( -10.334 11.279 4.778) 16.026 5.733 ( -0.976 3.245 -6.295) 7.149 5.764 ( -10.721 5.770 14.677) 19.070 6.208 ( -1.528 3.578 -5.427) 6.677 6.218 ( 4.998 10.503 -11.150) 16.112 7.299 ( 9.906 -10.731 2.786) 14.867 7.328 ( -6.111 20.598 -13.589) 25.422 7.573 ( -12.179 -1.285 -9.673) 15.606 7.700 ( -4.269 3.489 -0.614) 5.547 8.124 ( 12.610 -0.582 -4.595) 13.433 8.477 ( 6.839 -4.800 -1.459) 8.482 8.942 ( 1.587 -18.064 3.971) 18.564 9.188 ( -5.231 -1.335 10.058) 11.415 9.649 ( 2.657 -12.906 8.315) 15.581 9.810 ( -7.064 -6.146 9.120) 13.071 10.233 ( -1.709 4.414 -6.502) 8.042 10.435 ( 10.148 -5.731 7.056) 13.624 10.753 ( 0.251 -5.316 1.514) 5.534 11.025 ( 12.107 -2.850 -0.922) 12.472 11.212 ( -4.138 20.863 0.774) 21.284 12.062 ( -3.578 -19.218 1.633) 19.617 12.539 ( 2.734 2.083 0.193) 3.443 12.964 ( 4.567 0.564 2.995) 5.491 13.032 ( 0.261 -0.967 2.956) 3.121 13.290 ( 4.271 -7.763 1.585) 9.001 14.240 ( 2.942 4.526 -9.131) 10.607 14.827 ( 6.651 -8.931 2.990) 11.530 15.128 ( -9.140 -4.177 -0.256) 10.052 15.579 ( -1.714 2.438 -3.635) 4.700 15.717 ( 1.985 8.512 -1.069) 8.805 16.704 ( -0.419 3.831 1.305) 4.069 18.294 ( 5.090 -7.279 3.209) 9.444 ======================= Grid point 81 (41/60) ======================= q-point: (-0.43 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 2.520 2.074 -7.497) 8.177 1.016 ( -13.782 -6.732 -0.025) 15.338 1.188 ( -1.743 2.459 -14.712) 15.018 1.415 ( 1.289 0.806 -11.171) 11.274 1.554 ( -6.944 4.536 -3.610) 9.046 1.715 ( 0.945 -2.494 -8.332) 8.749 1.904 ( 6.317 1.696 2.615) 7.044 2.040 ( -5.565 -3.007 0.930) 6.393 2.065 ( 8.378 -1.951 -2.763) 9.035 2.349 ( 1.209 -0.811 5.800) 5.980 2.485 ( -0.814 -8.644 8.985) 12.494 2.629 ( 4.999 6.158 9.031) 12.019 2.774 ( -2.924 0.151 -1.184) 3.158 2.931 ( 0.655 2.829 4.032) 4.969 3.117 ( -1.698 -10.779 -3.538) 11.471 3.154 ( -2.222 4.152 1.596) 4.973 3.533 ( 8.250 2.414 -5.482) 10.195 3.628 ( 1.212 3.437 -11.596) 12.156 3.787 ( -5.896 -2.719 -2.263) 6.876 3.882 ( 3.842 2.593 1.280) 4.809 4.040 ( -5.169 -0.953 -6.345) 8.239 4.301 ( 3.099 -0.497 -7.524) 8.153 4.447 ( -3.431 8.197 9.774) 13.210 4.578 ( -10.158 12.622 7.904) 18.027 4.925 ( -4.194 5.455 4.256) 8.091 5.068 ( 9.865 5.271 5.264) 12.362 5.314 ( 0.299 2.285 2.220) 3.200 5.408 ( -5.459 11.398 3.866) 13.216 5.473 ( 0.053 7.585 3.841) 8.502 5.690 ( 3.889 12.366 -4.477) 13.714 6.059 ( 2.812 6.366 25.061) 26.009 6.156 ( 0.243 3.924 -3.707) 5.404 6.457 ( 17.751 16.802 -0.729) 24.453 7.104 ( -12.423 15.319 -14.876) 24.704 7.141 ( -10.955 -22.336 -3.873) 25.177 7.475 ( 6.999 14.310 -12.770) 20.417 7.655 ( -4.496 11.444 -4.525) 13.101 8.235 ( 3.578 2.816 -3.124) 5.522 8.437 ( 1.870 -7.618 -3.892) 8.757 8.859 ( 1.447 -19.310 6.702) 20.491 9.337 ( 6.605 -2.716 10.052) 12.331 9.573 ( -8.377 -17.124 8.492) 20.869 9.811 ( -1.550 -8.738 8.382) 12.207 10.162 ( -3.166 7.699 -7.062) 10.916 10.573 ( 5.815 -9.441 3.276) 11.561 10.661 ( -4.851 -5.445 -0.176) 7.295 11.038 ( 5.573 -8.471 -8.318) 13.115 11.362 ( 0.645 18.026 -1.214) 18.079 11.860 ( -4.730 -19.452 1.878) 20.107 12.594 ( 2.452 0.745 0.882) 2.710 13.003 ( -1.035 -3.582 -0.534) 3.767 13.059 ( 1.313 -0.977 2.266) 2.795 13.257 ( 1.718 -12.600 -1.349) 12.788 14.218 ( -1.452 13.721 -5.834) 14.980 14.892 ( 1.235 -4.655 1.122) 4.945 14.988 ( -5.171 -1.310 4.091) 6.723 15.571 ( 2.643 2.759 -3.125) 4.936 15.789 ( 1.023 6.483 -0.699) 6.600 16.734 ( -0.070 1.146 0.513) 1.258 18.272 ( -0.317 -9.838 -0.666) 9.866 ======================= Grid point 82 (42/60) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( -30.868 -0.609 -16.898) 35.196 0.981 ( 1.454 -8.332 -0.293) 8.463 1.141 ( -0.822 -3.173 2.813) 4.319 1.230 ( -1.500 9.977 -8.057) 12.911 1.548 ( -2.977 7.174 -7.220) 10.605 1.698 ( 3.349 -0.864 6.816) 7.643 1.953 ( 0.620 0.730 -3.332) 3.466 2.053 ( -1.534 2.712 3.490) 4.679 2.166 ( 7.436 3.088 -2.349) 8.388 2.338 ( -4.547 -7.717 4.693) 10.112 2.534 ( 1.363 -4.342 -1.741) 4.873 2.607 ( -6.228 2.814 0.239) 6.838 2.788 ( 5.583 -4.535 -3.146) 7.850 2.898 ( -3.627 -7.074 -1.814) 8.154 3.065 ( -1.219 -4.200 7.721) 8.873 3.298 ( 2.786 7.557 5.431) 9.714 3.461 ( -3.164 -3.713 -6.510) 8.135 3.614 ( 2.762 5.672 -1.146) 6.412 3.828 ( 10.038 5.615 -0.910) 11.538 3.877 ( -0.974 5.681 -1.373) 5.925 3.999 ( -0.741 4.486 4.283) 6.247 4.329 ( 12.737 -1.518 -6.640) 14.444 4.585 ( -2.339 5.371 8.553) 10.367 4.713 ( -3.610 14.535 9.145) 17.548 4.964 ( 0.745 4.074 -1.423) 4.379 5.221 ( 0.864 8.050 -5.079) 9.558 5.340 ( 0.189 -1.701 4.580) 4.890 5.556 ( 2.035 7.987 4.153) 9.229 5.684 ( 10.877 5.354 15.218) 19.457 5.791 ( 1.704 8.429 -3.509) 9.288 6.142 ( -0.397 7.439 -4.605) 8.758 6.581 ( 6.793 9.288 18.293) 21.611 6.676 ( -4.798 12.735 -8.592) 16.095 6.773 ( -7.160 -12.241 0.199) 14.183 7.052 ( 10.345 7.027 0.504) 12.516 7.485 ( -0.222 16.800 -10.798) 19.972 7.697 ( 0.973 14.835 -1.108) 14.908 8.129 ( -2.747 -3.975 -8.511) 9.787 8.410 ( 2.474 -2.046 -0.059) 3.211 8.810 ( 0.805 -13.565 1.770) 13.704 9.385 ( -10.588 -16.679 5.229) 20.436 9.512 ( 7.223 -8.910 7.069) 13.474 9.823 ( -4.191 -6.355 9.396) 12.093 10.113 ( 0.356 5.832 -3.766) 6.951 10.440 ( -4.394 -11.837 -4.631) 13.448 10.582 ( -6.566 -4.879 -2.364) 8.515 10.871 ( 1.816 -11.936 -9.830) 15.569 11.462 ( 4.362 1.885 -1.916) 5.124 11.738 ( -0.051 -4.340 3.612) 5.646 12.612 ( -2.338 -0.573 -0.205) 2.416 12.929 ( -4.890 -3.348 0.080) 5.927 13.014 ( -3.179 -11.640 -0.305) 12.070 13.151 ( 2.181 -4.344 -3.770) 6.152 14.294 ( 1.470 17.035 -3.079) 17.373 14.762 ( -13.896 -2.607 4.706) 14.901 15.112 ( 9.819 2.428 1.420) 10.214 15.596 ( 2.850 2.499 -2.589) 4.590 15.834 ( 0.260 3.700 -0.328) 3.724 16.730 ( 0.399 -2.177 -0.761) 2.340 18.127 ( -3.829 -11.256 -2.613) 12.173 ======================= Grid point 83 (43/60) ======================= q-point: (-0.14 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 29.712 8.348 9.644) 32.334 0.901 ( 6.678 -11.322 -6.550) 14.686 1.107 ( -9.236 3.067 7.558) 12.322 1.370 ( 6.428 -1.892 9.332) 11.488 1.470 ( -7.487 6.653 0.329) 10.022 1.738 ( 0.635 -1.644 -3.862) 4.245 1.945 ( -8.869 3.555 1.445) 9.664 2.041 ( 0.611 1.390 -0.300) 1.548 2.185 ( 4.289 -7.912 -1.626) 9.145 2.326 ( -1.061 5.556 2.349) 6.125 2.501 ( 1.738 4.004 0.445) 4.388 2.620 ( -1.246 -5.617 2.070) 6.115 2.658 ( 4.126 -6.182 -9.545) 12.097 2.901 ( 2.862 -5.601 3.248) 7.079 3.101 ( -2.293 0.041 4.994) 5.495 3.179 ( -18.176 -0.006 4.755) 18.788 3.525 ( 4.421 7.253 -2.957) 8.994 3.714 ( 1.537 7.666 -1.026) 7.886 3.949 ( 3.822 0.991 4.815) 6.227 4.003 ( 4.045 10.330 1.456) 11.189 4.149 ( 0.915 2.002 9.864) 10.107 4.400 ( 8.972 -4.143 -5.185) 11.160 4.667 ( 2.917 1.488 -0.642) 3.337 4.878 ( -5.878 16.025 4.371) 17.619 4.939 ( 1.941 -2.644 -7.775) 8.439 5.207 ( 0.442 1.284 -2.624) 2.955 5.511 ( 14.018 6.654 4.798) 16.242 5.605 ( -3.385 0.058 2.144) 4.007 5.864 ( 5.559 9.528 -1.817) 11.180 6.084 ( 0.878 8.555 -4.395) 9.658 6.147 ( 7.756 4.759 6.726) 11.315 6.360 ( -16.500 8.317 -10.528) 21.266 6.575 ( -5.774 7.384 -1.210) 9.452 6.967 ( -6.154 -1.525 5.297) 8.262 7.306 ( 14.695 5.814 1.984) 15.928 7.543 ( 2.611 4.726 1.608) 5.634 7.884 ( 5.421 12.659 1.475) 13.850 8.020 ( 2.983 -5.093 3.708) 6.970 8.454 ( 4.162 7.518 -5.829) 10.384 8.636 ( -8.900 -12.440 -3.917) 15.790 9.182 ( -5.577 -12.855 4.187) 14.624 9.540 ( -1.294 -5.406 -0.914) 5.633 9.842 ( -2.295 -9.203 13.102) 16.174 10.126 ( -1.179 -10.034 -5.841) 11.670 10.250 ( 3.104 -0.289 -3.901) 4.994 10.330 ( -13.385 -0.093 -2.853) 13.686 10.710 ( 3.567 -9.037 -6.873) 11.900 11.527 ( 5.741 -10.217 6.229) 13.272 11.846 ( 4.931 10.859 0.226) 11.928 12.484 ( -8.934 -3.987 -1.581) 9.911 12.786 ( -6.612 -10.755 2.003) 12.783 12.923 ( -1.418 -4.587 1.379) 4.996 13.131 ( 3.040 0.315 -3.477) 4.629 14.416 ( 5.314 11.774 -5.276) 13.954 14.609 ( -11.220 -2.791 2.992) 11.943 15.286 ( 7.534 6.632 -0.429) 10.046 15.639 ( 3.126 1.916 0.394) 3.688 15.838 ( -1.092 0.125 -1.181) 1.613 16.692 ( 0.277 -3.909 -1.748) 4.291 17.955 ( -2.839 -10.480 -0.933) 10.897 ======================= Grid point 86 (44/60) ======================= q-point: ( 0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 7.612 -3.005 -12.359) 14.823 0.896 ( 15.085 -5.479 -1.893) 16.161 1.425 ( 0.632 0.140 -5.547) 5.585 1.525 ( -6.165 2.708 -4.452) 8.072 1.579 ( -0.149 -0.179 -1.203) 1.226 1.824 ( 5.577 -5.320 -12.125) 14.367 1.996 ( 0.383 1.522 2.804) 3.214 2.060 ( 4.420 3.189 9.753) 11.172 2.172 ( -6.817 -3.347 -2.249) 7.920 2.254 ( -3.651 -4.594 2.432) 6.352 2.403 ( 2.605 -6.872 1.235) 7.452 2.583 ( -0.056 5.302 -7.832) 9.458 2.870 ( 9.853 -3.766 -0.257) 10.552 2.961 ( -10.698 5.845 -1.231) 12.253 3.176 ( -5.243 2.560 3.221) 6.665 3.348 ( 2.128 -5.087 0.339) 5.525 3.411 ( -2.832 2.636 -0.301) 3.881 3.649 ( -9.393 -5.256 4.324) 11.600 3.910 ( -4.006 9.530 -1.967) 10.524 4.066 ( -0.053 4.349 -5.819) 7.265 4.128 ( -7.952 14.254 -1.928) 16.435 4.221 ( -2.436 6.014 -7.149) 9.654 4.549 ( 6.452 -1.834 0.585) 6.733 4.875 ( 2.384 -1.576 1.452) 3.205 5.038 ( -19.905 -0.960 -6.287) 20.897 5.070 ( -9.076 -1.892 3.141) 9.789 5.307 ( -7.361 18.929 8.754) 22.116 5.557 ( -7.735 5.380 -8.316) 12.567 5.843 ( -8.984 0.638 -4.683) 10.151 5.852 ( -13.363 0.540 7.347) 15.259 6.108 ( -5.513 0.728 1.017) 5.653 6.283 ( 0.031 0.714 5.280) 5.328 6.419 ( -18.707 5.336 -4.957) 20.075 7.084 ( 0.800 2.511 -1.281) 2.930 7.339 ( 3.144 10.739 -4.460) 12.046 7.751 ( 1.933 -10.266 7.144) 12.656 7.813 ( -0.461 12.128 -3.568) 12.651 7.842 ( 3.936 3.227 -17.366) 18.096 8.306 ( 2.222 -2.352 3.223) 4.567 8.871 ( 1.237 -11.174 1.211) 11.308 9.321 ( 11.311 -5.573 3.656) 13.129 9.572 ( -12.384 -5.033 4.824) 14.211 10.025 ( -0.120 6.356 3.180) 7.109 10.087 ( 11.131 -10.734 9.208) 17.997 10.236 ( 3.048 -5.300 -8.024) 10.088 10.482 ( 18.111 1.185 6.789) 19.377 10.596 ( 6.527 -6.828 -2.410) 9.749 11.506 ( -9.661 12.081 0.102) 15.469 11.984 ( 8.167 -11.305 -9.274) 16.749 12.498 ( 1.762 -1.385 5.535) 5.971 12.860 ( 2.228 5.273 2.659) 6.311 13.004 ( 2.879 -5.417 6.621) 9.026 13.091 ( 5.891 -4.704 -3.863) 8.471 14.125 ( 3.884 2.590 1.728) 4.978 14.739 ( -1.805 -4.200 5.937) 7.493 15.266 ( -3.680 -3.098 -6.510) 8.094 15.593 ( 3.607 7.514 -2.965) 8.847 15.779 ( -5.129 0.414 1.972) 5.511 16.668 ( 3.558 -0.285 1.459) 3.856 18.030 ( 12.268 -6.206 3.021) 14.077 ======================= Grid point 87 (45/60) ======================= q-point: ( 0.43 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 11.922 16.329 -15.081) 25.223 1.059 ( 11.198 -4.428 1.706) 12.162 1.254 ( -0.697 -3.774 -17.119) 17.544 1.404 ( -4.219 0.303 -2.343) 4.835 1.556 ( 4.153 5.359 -10.766) 12.723 1.752 ( 0.944 -5.798 -0.024) 5.875 1.927 ( -5.139 -9.119 -0.097) 10.467 1.978 ( -4.509 1.393 -2.811) 5.493 2.175 ( -0.433 6.207 0.814) 6.275 2.389 ( 0.144 1.330 8.322) 8.429 2.423 ( 1.464 -5.168 -1.917) 5.703 2.541 ( -2.108 4.086 4.920) 6.734 2.826 ( 4.949 -0.293 -2.077) 5.375 2.889 ( -4.236 -2.883 -1.271) 5.279 3.236 ( -5.464 -10.791 -3.764) 12.668 3.310 ( 6.169 -1.683 2.088) 6.726 3.347 ( -0.131 2.208 -2.916) 3.660 3.561 ( -2.907 2.974 2.494) 4.850 3.844 ( -7.452 9.744 -5.824) 13.580 4.026 ( -6.331 8.834 -0.095) 10.869 4.101 ( -2.090 3.538 -5.749) 7.067 4.403 ( 6.173 9.013 6.397) 12.660 4.519 ( -10.857 -3.562 -3.160) 11.856 4.729 ( -4.404 1.736 0.373) 4.749 4.965 ( 5.536 4.571 2.219) 7.514 5.058 ( -4.440 3.805 8.506) 10.322 5.385 ( -11.443 9.967 -5.342) 16.088 5.520 ( -2.259 13.209 8.259) 15.741 5.690 ( -7.542 7.865 -4.260) 11.700 5.831 ( -10.317 1.585 11.326) 15.402 6.051 ( -4.903 -4.407 2.636) 7.100 6.190 ( -4.533 12.216 -7.731) 15.150 6.329 ( -10.481 3.944 13.615) 17.629 7.085 ( 6.631 -13.258 -0.806) 14.846 7.353 ( 1.107 10.051 -9.212) 13.679 7.588 ( -10.110 7.549 -17.266) 21.385 7.754 ( -2.949 11.143 -8.575) 14.367 8.018 ( 8.086 10.692 6.558) 14.923 8.342 ( 2.007 -4.311 0.691) 4.806 8.799 ( 3.025 -18.094 3.417) 18.661 9.385 ( -4.904 -7.631 6.464) 11.138 9.498 ( 5.587 -10.372 2.738) 12.095 10.039 ( -8.963 -3.122 7.137) 11.875 10.165 ( 4.340 4.966 -8.435) 10.707 10.300 ( 12.451 -9.698 8.453) 17.903 10.543 ( 9.906 -13.007 -9.853) 19.089 10.807 ( 12.545 -4.087 5.186) 14.176 11.474 ( -9.353 16.135 -1.213) 18.689 11.915 ( 4.532 -11.731 -2.881) 12.902 12.521 ( 0.177 -2.804 0.163) 2.815 12.915 ( 3.840 -3.952 1.011) 5.602 13.061 ( 0.426 -3.085 0.258) 3.125 13.122 ( 7.586 -5.408 0.632) 9.338 14.227 ( 0.178 11.164 0.417) 11.174 14.710 ( 2.328 -10.042 0.496) 10.320 15.202 ( -1.913 3.896 0.291) 4.350 15.604 ( -3.517 3.174 -2.724) 5.465 15.774 ( -1.211 4.816 1.901) 5.318 16.722 ( 1.704 -0.376 1.122) 2.074 18.145 ( 8.666 -8.519 0.147) 12.153 ======================= Grid point 88 (46/60) ======================= q-point: (-0.43 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 6.959 22.177 -15.424) 27.896 0.962 ( 0.037 -10.004 -11.935) 15.574 1.148 ( -1.238 1.176 4.575) 4.883 1.343 ( -1.334 -2.864 -0.975) 3.307 1.584 ( 5.250 5.333 -5.219) 9.123 1.691 ( -4.166 4.026 3.073) 6.558 1.887 ( 5.539 -1.038 -3.857) 6.829 1.971 ( -3.609 3.291 5.354) 7.246 2.108 ( -5.921 -0.783 -2.260) 6.386 2.343 ( 1.106 -2.841 0.648) 3.117 2.494 ( 4.768 -8.492 7.662) 12.392 2.740 ( -4.358 -1.477 -4.451) 6.402 2.775 ( 6.772 6.360 6.568) 11.378 2.969 ( 3.311 -0.807 2.306) 4.115 3.071 ( 0.897 -7.856 2.029) 8.163 3.272 ( -10.151 -0.516 2.777) 10.537 3.380 ( 11.482 4.197 -2.342) 12.447 3.532 ( -9.270 -1.749 -5.872) 11.111 3.821 ( 4.699 7.426 -2.221) 9.064 3.962 ( -12.237 5.443 1.893) 13.526 3.997 ( -4.091 1.307 -3.449) 5.509 4.257 ( -6.267 6.097 -7.432) 11.475 4.631 ( -0.969 6.647 5.428) 8.637 4.784 ( 2.886 -0.636 3.384) 4.493 5.098 ( 0.644 3.625 2.904) 4.689 5.226 ( 0.055 2.010 15.713) 15.841 5.360 ( -3.378 25.489 -2.801) 25.864 5.549 ( -6.571 3.658 -1.411) 7.652 5.678 ( -11.684 5.142 3.265) 13.176 5.768 ( -2.248 9.992 5.038) 11.413 6.133 ( 3.820 4.458 0.742) 5.917 6.284 ( 12.237 8.433 0.096) 14.861 6.507 ( -0.287 1.041 23.112) 23.137 6.959 ( -0.809 -19.150 -3.154) 19.425 7.270 ( -16.194 19.310 -16.958) 30.376 7.379 ( 4.061 16.284 -9.479) 19.274 7.718 ( -2.860 17.673 -7.965) 19.595 8.223 ( 8.107 -10.242 -2.533) 13.305 8.312 ( -4.601 4.910 3.965) 7.810 8.752 ( 2.745 -19.222 7.003) 20.641 9.356 ( 1.854 -13.956 4.944) 14.921 9.518 ( 2.582 -6.784 3.381) 8.008 9.987 ( -7.916 -3.580 8.757) 12.335 10.138 ( 0.834 3.462 -7.838) 8.609 10.390 ( 7.450 -12.465 -7.366) 16.283 10.523 ( 11.371 -9.569 2.463) 15.065 10.835 ( -1.765 -8.835 -3.339) 9.608 11.463 ( -4.427 6.299 -2.982) 8.256 11.818 ( -2.806 -8.486 1.252) 9.025 12.535 ( 5.691 -1.479 -0.846) 5.941 12.913 ( 3.461 -6.806 -3.342) 8.335 13.035 ( 1.968 -7.077 -0.322) 7.352 13.149 ( -0.471 -3.750 1.588) 4.100 14.311 ( -1.797 16.479 -3.521) 16.946 14.735 ( 10.482 -3.342 -1.159) 11.063 15.210 ( -7.850 2.864 5.801) 10.172 15.534 ( -2.344 2.505 -3.433) 4.853 15.829 ( 0.210 4.504 0.698) 4.563 16.729 ( -0.078 -2.592 -0.167) 2.598 18.130 ( 3.584 -11.275 -3.200) 12.256 ======================= Grid point 89 (47/60) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -13.847 9.132 -13.427) 21.341 0.732 ( -1.463 -15.855 -6.261) 17.110 1.285 ( 0.368 6.446 -1.510) 6.631 1.344 ( -4.436 1.315 18.720) 19.283 1.610 ( 1.348 2.812 -2.138) 3.781 1.749 ( -5.018 5.921 1.243) 7.860 1.901 ( 2.573 -0.957 -4.695) 5.438 1.987 ( 5.206 -0.419 2.091) 5.626 2.150 ( 7.393 2.271 1.793) 7.939 2.353 ( -0.017 -0.813 1.543) 1.744 2.533 ( -1.896 -8.166 0.551) 8.402 2.623 ( -7.031 -2.143 -3.710) 8.233 2.785 ( -3.394 -7.734 -0.763) 8.480 2.912 ( -5.548 -2.943 5.708) 8.486 3.167 ( -3.611 0.687 4.016) 5.444 3.336 ( 13.196 5.002 6.430) 15.508 3.365 ( 0.406 3.775 -1.934) 4.261 3.691 ( 8.388 11.185 9.104) 16.684 3.838 ( -5.848 2.475 4.245) 7.639 3.873 ( -0.924 2.526 -5.256) 5.905 4.022 ( 3.933 7.360 1.171) 8.426 4.207 ( -1.084 7.570 -2.986) 8.209 4.695 ( -1.508 3.134 0.158) 3.481 4.814 ( 2.196 -5.462 0.262) 5.892 5.139 ( -3.241 7.331 1.915) 8.241 5.363 ( -9.076 6.591 9.149) 14.475 5.431 ( -9.201 3.406 -0.694) 9.836 5.538 ( 3.304 18.781 -3.013) 19.306 5.769 ( 8.496 7.056 8.407) 13.880 5.924 ( -2.293 8.882 5.166) 10.528 6.176 ( -1.837 7.951 -2.366) 8.497 6.506 ( 7.810 -11.069 -2.774) 13.828 6.771 ( 8.628 16.861 -0.922) 18.963 6.870 ( 1.599 -1.668 6.992) 7.364 7.098 ( -9.198 9.846 3.619) 13.952 7.481 ( 4.099 16.531 -4.449) 17.603 7.768 ( 0.841 14.066 -2.420) 14.297 8.036 ( -4.576 -9.743 -8.025) 13.426 8.378 ( 1.122 0.868 -0.005) 1.418 8.730 ( 0.517 -17.423 7.972) 19.167 9.287 ( 3.764 -15.852 -2.527) 16.487 9.550 ( -3.962 -7.725 9.968) 13.219 9.978 ( -4.301 -8.986 9.710) 13.912 10.068 ( 3.364 5.172 -9.782) 11.565 10.276 ( -0.339 -6.687 -5.646) 8.758 10.539 ( 2.320 -11.398 -8.390) 14.341 10.657 ( -3.589 -4.930 -2.234) 6.495 11.352 ( 0.802 -15.547 1.991) 15.695 11.805 ( -1.509 6.124 1.976) 6.610 12.588 ( 2.745 -2.923 -1.246) 4.199 12.839 ( 5.068 -9.353 -5.216) 11.847 12.978 ( -2.743 -4.562 0.279) 5.330 13.112 ( -2.498 -1.713 0.320) 3.046 14.358 ( -0.290 16.906 -8.603) 18.972 14.875 ( 7.210 3.902 -1.791) 8.392 15.173 ( -10.903 2.335 8.429) 13.978 15.513 ( 4.103 1.563 -3.995) 5.936 15.861 ( -0.327 2.352 -0.258) 2.388 16.677 ( -0.257 -5.758 -1.767) 6.029 18.000 ( 0.191 -12.780 -4.718) 13.624 ======================= Grid point 90 (48/60) ======================= q-point: (-0.14 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( -0.267 0.228 4.602) 4.615 0.591 ( 7.403 -16.126 -2.497) 17.919 1.332 ( -4.288 1.160 7.496) 8.713 1.519 ( 1.326 -5.363 9.489) 10.980 1.599 ( -3.084 -0.791 -1.482) 3.512 1.674 ( -3.631 8.269 0.855) 9.072 1.927 ( 6.286 -6.772 -1.578) 9.374 2.082 ( 3.317 1.322 0.484) 3.603 2.248 ( -19.565 0.947 0.625) 19.598 2.330 ( 9.685 -0.120 1.361) 9.781 2.385 ( 0.379 4.410 -1.770) 4.767 2.508 ( 0.989 -2.513 -1.209) 2.959 2.719 ( 2.147 -6.158 0.120) 6.523 2.949 ( -9.776 -1.946 14.545) 17.633 3.234 ( 0.393 9.351 2.663) 9.731 3.412 ( 5.302 2.744 -2.723) 6.562 3.536 ( -9.116 7.950 1.747) 12.221 3.784 ( -0.864 8.688 0.574) 8.750 3.870 ( 4.795 -6.267 3.647) 8.694 4.063 ( 6.653 9.792 1.424) 11.923 4.199 ( 6.133 1.237 5.956) 8.638 4.265 ( 5.068 2.429 4.373) 7.121 4.617 ( -2.723 -0.833 -6.509) 7.105 4.801 ( 3.221 -1.875 -1.730) 4.109 5.209 ( -4.386 10.629 3.842) 12.124 5.252 ( -10.748 8.200 -4.933) 14.391 5.513 ( 2.558 4.167 10.950) 11.992 5.673 ( -1.497 9.167 -0.306) 9.293 5.927 ( -3.229 9.059 0.493) 9.630 6.063 ( 6.471 5.309 -0.252) 8.374 6.175 ( 0.744 5.951 -1.209) 6.118 6.383 ( -3.123 2.064 -8.882) 9.638 6.818 ( -11.501 18.512 -5.332) 22.436 7.123 ( -0.577 6.675 2.122) 7.028 7.206 ( 9.546 -0.219 11.717) 15.115 7.540 ( -1.699 -8.107 2.936) 8.788 7.916 ( 10.715 6.623 -3.764) 13.147 7.931 ( 2.927 10.522 -0.532) 10.934 8.329 ( -0.011 -3.960 -7.967) 8.897 8.651 ( -3.953 -17.331 6.719) 19.004 9.171 ( -1.290 -9.052 0.283) 9.148 9.535 ( -2.026 -13.257 9.543) 16.459 9.892 ( -0.691 -14.072 -0.023) 14.089 10.048 ( -7.358 2.249 -7.606) 10.819 10.179 ( 3.495 5.676 0.140) 6.667 10.414 ( 8.429 -7.190 -5.978) 12.589 10.497 ( -10.064 -2.159 -2.855) 10.682 11.399 ( 10.012 -18.587 13.044) 24.817 11.887 ( 1.747 10.212 -0.457) 10.371 12.483 ( -2.869 -7.215 -4.671) 9.061 12.791 ( 0.390 -12.496 2.338) 12.718 12.933 ( -2.079 3.753 -0.247) 4.297 13.072 ( -0.398 -0.400 -1.530) 1.631 14.330 ( 1.682 11.597 -17.177) 20.793 14.834 ( -13.473 5.197 -0.228) 14.442 15.254 ( 4.552 6.099 3.249) 8.275 15.574 ( 6.714 -0.057 0.274) 6.720 15.843 ( -1.815 -0.639 -1.774) 2.618 16.602 ( 1.693 -7.370 -2.144) 7.860 17.843 ( 0.827 -12.143 -3.239) 12.595 ======================= Grid point 114 (49/60) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 0.000 -0.863) 0.863 1.293 ( -0.000 -0.000 18.023) 18.023 1.293 ( -0.000 -0.000 18.023) 18.023 1.729 ( -0.000 -0.000 2.690) 2.690 1.944 ( -0.000 -0.000 1.702) 1.702 1.944 ( -0.000 0.000 1.702) 1.702 2.042 ( 0.000 0.000 -7.904) 7.904 2.042 ( 0.000 0.000 -7.904) 7.904 2.103 ( -0.000 -0.000 4.656) 4.656 2.308 ( -0.000 -0.000 4.988) 4.988 2.308 ( -0.000 -0.000 4.988) 4.988 2.636 ( 0.000 0.000 -6.899) 6.899 2.893 ( 0.000 0.000 -8.451) 8.451 2.893 ( 0.000 0.000 -8.451) 8.451 2.912 ( -0.000 -0.000 24.783) 24.783 3.511 ( 0.000 0.000 -10.472) 10.472 3.511 ( 0.000 0.000 -10.472) 10.472 3.590 ( -0.000 -0.000 6.090) 6.090 3.671 ( -0.000 -0.000 1.835) 1.835 3.671 ( -0.000 -0.000 1.835) 1.835 4.154 ( 0.000 0.000 -9.611) 9.611 4.154 ( 0.000 0.000 -9.611) 9.611 4.209 ( -0.000 -0.000 1.393) 1.393 4.678 ( 0.000 0.000 -13.167) 13.167 4.678 ( 0.000 0.000 -13.167) 13.167 4.746 ( -0.000 -0.000 9.439) 9.439 5.232 ( 0.000 0.000 -6.514) 6.514 5.391 ( 0.000 0.000 -15.136) 15.136 5.391 ( 0.000 0.000 -15.136) 15.136 5.771 ( 0.000 0.000 -6.291) 6.291 5.863 ( 0.000 0.000 -17.269) 17.269 5.863 ( 0.000 0.000 -17.269) 17.269 6.818 ( 0.000 0.000 -22.441) 22.441 7.020 ( 0.000 0.000 -4.464) 4.464 7.020 ( 0.000 0.000 -4.464) 4.464 7.856 ( -0.000 -0.000 11.127) 11.127 7.856 ( -0.000 -0.000 11.127) 11.127 8.492 ( -0.000 -0.000 11.780) 11.780 8.733 ( 0.000 0.000 -2.632) 2.632 8.733 ( 0.000 0.000 -2.632) 2.632 9.040 ( -0.000 -0.000 15.266) 15.266 9.883 ( -0.000 -0.000 10.813) 10.813 9.883 ( -0.000 -0.000 10.813) 10.813 9.922 ( 0.000 0.000 -4.718) 4.718 10.386 ( -0.000 -0.000 1.170) 1.170 10.677 ( -0.000 -0.000 3.717) 3.717 10.677 ( -0.000 -0.000 3.717) 3.717 10.839 ( -0.000 -0.000 17.565) 17.565 12.384 ( -0.000 -0.000 4.901) 4.901 12.384 ( -0.000 -0.000 4.901) 4.901 13.021 ( 0.000 0.000 0.603) 0.603 13.021 ( -0.000 -0.000 0.603) 0.603 13.138 ( -0.000 -0.000 11.258) 11.258 14.846 ( 0.000 0.000 -19.986) 19.986 15.197 ( 0.000 0.000 1.034) 1.034 15.197 ( 0.000 -0.000 1.034) 1.034 15.620 ( 0.000 -0.000 -5.427) 5.427 15.620 ( 0.000 0.000 -5.427) 5.427 16.322 ( -0.000 -0.000 5.072) 5.072 18.289 ( -0.000 -0.000 12.417) 12.417 ======================= Grid point 115 (50/60) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 4.732 2.322 0.877) 5.343 1.317 ( -14.400 -5.866 8.968) 17.950 1.522 ( -2.832 1.922 8.254) 8.936 1.712 ( -8.869 -2.263 -10.617) 14.017 1.802 ( -0.036 -3.493 -4.227) 5.484 1.833 ( 1.630 -1.201 -4.908) 5.309 1.956 ( -2.451 -5.068 4.722) 7.348 2.126 ( 2.668 1.869 6.651) 7.406 2.227 ( 4.874 2.766 -6.140) 8.313 2.280 ( -1.195 -1.788 -1.083) 2.407 2.371 ( -0.007 3.983 -1.962) 4.440 2.532 ( 0.765 -1.780 0.908) 2.140 2.748 ( -5.620 2.325 -0.821) 6.137 2.952 ( 10.386 2.641 -5.970) 12.267 3.200 ( -6.577 -0.487 -4.384) 7.919 3.288 ( 5.651 -1.727 16.146) 17.193 3.432 ( -8.828 -0.621 7.070) 11.327 3.615 ( 1.426 -1.642 -0.527) 2.238 3.713 ( 0.405 -3.453 -2.045) 4.034 3.829 ( 0.850 4.319 -4.053) 5.984 3.945 ( 1.722 8.692 2.461) 9.196 4.197 ( 1.042 -3.566 -12.422) 12.966 4.313 ( 15.853 5.843 -3.850) 17.329 4.541 ( 12.563 -1.724 -8.051) 15.020 4.602 ( 3.055 3.304 -7.750) 8.962 4.857 ( 1.083 -0.226 4.303) 4.443 5.103 ( -5.249 0.948 -5.790) 7.873 5.308 ( 7.685 -0.270 -7.168) 10.513 5.337 ( 4.337 8.965 -6.015) 11.634 5.514 ( -6.211 6.721 -7.788) 12.017 5.714 ( 13.029 -7.461 -14.839) 21.109 5.934 ( 12.556 15.093 -9.045) 21.616 6.504 ( -5.708 0.150 -13.813) 14.947 6.836 ( 0.069 -3.802 -11.483) 12.096 7.178 ( 17.276 7.476 -10.795) 21.699 7.784 ( -16.681 -6.647 6.968) 19.261 7.998 ( -0.225 -7.015 9.090) 11.484 8.438 ( -13.691 0.188 -2.104) 13.853 8.626 ( -3.743 -6.265 -4.391) 8.517 8.899 ( 10.814 8.443 7.351) 15.565 9.189 ( -2.783 -2.967 12.441) 13.089 9.807 ( -4.140 -4.053 4.472) 7.319 9.907 ( -7.276 -2.031 7.392) 10.569 10.126 ( 6.594 2.855 2.253) 7.531 10.471 ( 3.926 2.101 3.975) 5.969 10.676 ( -1.053 -4.517 3.339) 5.715 10.813 ( 4.430 7.751 4.685) 10.082 11.003 ( -6.103 -4.327 14.620) 16.423 12.391 ( -0.389 -5.274 5.767) 7.825 12.485 ( -1.551 3.661 2.633) 4.768 12.973 ( -8.004 -0.896 4.073) 9.025 13.013 ( -0.723 -3.017 2.717) 4.124 13.309 ( 2.047 0.741 8.392) 8.669 14.495 ( -8.152 -4.691 -18.365) 20.634 15.092 ( -10.443 -2.825 -0.007) 10.818 15.288 ( 8.796 -2.913 -1.520) 9.389 15.500 ( -0.875 -1.157 -5.293) 5.488 15.599 ( 0.755 6.521 -4.624) 8.029 16.465 ( 6.678 3.150 4.417) 8.603 18.390 ( -4.720 -2.802 9.776) 11.212 ======================= Grid point 116 (51/60) ======================= q-point: (-0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -10.221 -8.582 -13.801) 19.198 1.065 ( -3.471 3.266 -0.254) 4.773 1.426 ( -3.907 0.524 -7.420) 8.402 1.477 ( -1.677 -4.455 -8.035) 9.339 1.636 ( -3.365 -6.575 -8.455) 11.227 1.933 ( 4.898 4.739 4.382) 8.102 1.968 ( -2.037 -5.728 4.470) 7.546 2.029 ( -5.609 0.198 -5.182) 7.638 2.188 ( -0.176 -0.367 -6.835) 6.847 2.317 ( 0.191 0.377 4.886) 4.904 2.485 ( -0.253 3.450 3.769) 5.116 2.591 ( 4.872 1.501 2.329) 5.605 2.778 ( -0.031 4.110 4.954) 6.437 2.938 ( -1.027 -2.890 5.566) 6.355 3.188 ( 8.044 5.675 -8.989) 13.331 3.334 ( -12.848 -5.884 10.210) 17.434 3.570 ( 6.809 -0.833 -9.106) 11.401 3.585 ( -1.538 -1.028 -3.178) 3.677 3.693 ( 1.014 6.765 11.970) 13.787 3.785 ( -0.511 -0.869 2.666) 2.850 3.960 ( 4.438 6.636 -20.355) 21.865 4.077 ( 1.124 -1.840 -8.181) 8.460 4.477 ( 7.620 -3.660 -3.198) 9.039 4.622 ( 20.110 -6.969 4.180) 21.690 4.747 ( 9.660 8.492 -2.029) 13.021 5.003 ( 2.686 3.706 6.673) 8.092 5.084 ( 2.725 13.648 0.407) 13.923 5.236 ( 3.859 3.554 -7.580) 9.218 5.529 ( 13.699 12.783 -4.955) 19.381 5.635 ( 8.703 10.435 3.547) 14.043 5.749 ( 18.122 -1.942 -5.241) 18.964 6.176 ( 10.012 14.909 -3.234) 18.247 6.341 ( -5.035 11.451 -3.048) 12.875 6.701 ( 12.278 -10.096 -12.427) 20.177 7.329 ( 18.240 5.908 -13.368) 23.373 7.511 ( -18.900 -12.414 4.589) 23.073 7.893 ( -4.396 -13.218 -7.945) 16.037 8.252 ( -15.624 8.762 2.355) 18.067 8.442 ( -4.572 -5.399 -4.893) 8.602 9.114 ( -5.076 -1.639 7.227) 8.982 9.345 ( 8.526 6.257 9.660) 14.323 9.720 ( -9.734 -11.891 6.813) 16.810 9.914 ( 0.052 0.607 1.158) 1.309 10.222 ( 2.972 2.196 -0.299) 3.708 10.507 ( -9.365 -5.056 7.547) 13.047 10.679 ( -0.130 -3.635 3.856) 5.301 10.941 ( -13.794 -8.765 8.657) 18.494 11.065 ( 10.872 12.240 1.965) 16.489 12.326 ( -5.747 -11.268 -2.690) 12.932 12.512 ( -2.534 5.342 3.184) 6.715 12.922 ( -6.719 -2.348 6.052) 9.343 13.046 ( 0.153 0.304 5.020) 5.032 13.364 ( -6.715 -3.403 5.317) 9.216 14.152 ( -3.479 -2.784 -13.644) 14.353 14.907 ( -8.513 -8.347 2.668) 12.217 15.331 ( 2.412 3.767 -6.464) 7.861 15.439 ( 2.361 -3.197 -2.308) 4.595 15.657 ( 3.987 8.208 -1.768) 9.295 16.622 ( 4.665 2.037 3.148) 5.985 18.353 ( -9.667 -5.891 6.028) 12.826 ======================= Grid point 117 (52/60) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -3.969 0.725 -18.828) 19.255 0.962 ( -10.424 -9.480 -0.087) 14.091 1.294 ( -1.790 -1.157 -9.319) 9.560 1.460 ( 8.791 5.913 -2.297) 10.841 1.515 ( 1.358 4.600 -7.677) 9.052 1.812 ( -6.841 -4.028 -3.336) 8.611 1.963 ( -2.456 -5.544 -5.667) 8.299 2.014 ( -0.100 -1.050 0.751) 1.294 2.129 ( 5.434 -0.022 -2.731) 6.081 2.421 ( 6.714 -1.696 2.466) 7.351 2.446 ( -9.116 -1.672 6.297) 11.205 2.657 ( -7.401 12.263 0.609) 14.336 2.900 ( 3.555 1.766 3.609) 5.365 2.998 ( -12.477 -8.116 2.865) 15.158 3.165 ( 6.342 6.798 4.860) 10.490 3.319 ( 9.617 -7.862 -3.197) 12.827 3.382 ( -10.031 0.582 -10.725) 14.697 3.640 ( 13.316 -1.688 -6.245) 14.804 3.755 ( -1.154 13.707 -7.283) 15.565 3.894 ( 4.393 -1.123 1.200) 4.691 3.953 ( 5.437 -2.256 -6.757) 8.962 4.010 ( 9.068 2.751 1.953) 9.676 4.534 ( 6.607 -1.300 4.837) 8.291 4.879 ( 5.262 -4.712 1.606) 7.244 4.997 ( 7.621 18.049 -1.196) 19.629 5.097 ( 15.034 2.024 3.663) 15.606 5.225 ( 0.089 14.909 2.608) 15.135 5.404 ( 9.607 5.076 -1.642) 10.989 5.690 ( 13.203 4.439 -7.394) 15.770 5.874 ( 7.245 -1.549 -1.971) 7.666 6.022 ( 8.322 11.042 4.576) 14.564 6.328 ( 12.442 17.040 1.710) 21.168 6.508 ( -2.128 6.738 9.251) 11.641 6.783 ( 19.963 -5.962 -0.516) 20.841 7.221 ( -7.043 -7.407 -3.396) 10.771 7.421 ( 11.748 3.260 -21.821) 24.996 7.610 ( 2.746 -8.910 -4.625) 10.408 8.136 ( -16.871 7.367 4.646) 18.987 8.347 ( 0.611 -1.740 -0.382) 1.883 9.016 ( -9.386 -4.183 -0.734) 10.302 9.502 ( -12.950 -10.838 7.465) 18.463 9.663 ( 3.405 6.580 2.115) 7.704 9.900 ( 4.470 -6.711 -0.079) 8.063 10.223 ( -2.265 4.479 -8.259) 9.665 10.363 ( -12.435 -13.193 9.910) 20.661 10.663 ( -12.331 -4.255 9.800) 16.316 10.740 ( -12.175 -3.302 2.360) 12.834 11.340 ( 12.451 7.931 -1.037) 14.799 12.008 ( -13.958 -8.596 -8.207) 18.332 12.572 ( 1.650 -0.024 2.521) 3.013 12.885 ( -4.783 -4.784 5.572) 8.764 13.102 ( -1.024 0.019 1.090) 1.496 13.200 ( -13.937 -5.089 1.522) 14.915 14.082 ( 6.539 3.332 0.131) 7.340 14.827 ( -0.359 -7.191 4.677) 8.585 15.262 ( -4.079 9.523 -8.959) 13.696 15.453 ( 4.613 -5.137 1.181) 7.005 15.775 ( 4.983 5.319 0.284) 7.294 16.699 ( -0.214 0.053 2.339) 2.349 18.190 ( -12.659 -7.772 3.380) 15.234 ======================= Grid point 122 (53/60) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.230 2.090 0.081) 2.105 1.340 ( 10.003 -13.970 -10.756) 20.271 1.475 ( -7.154 -1.640 -13.053) 14.975 1.638 ( -6.093 -2.531 -10.190) 12.139 1.643 ( 2.083 -4.382 -4.776) 6.808 1.868 ( 3.029 3.211 1.064) 4.540 2.023 ( -2.034 -9.130 5.743) 10.976 2.058 ( 0.387 0.167 -8.214) 8.225 2.247 ( -5.597 -2.530 5.652) 8.347 2.275 ( 4.392 -0.160 9.037) 10.049 2.488 ( 4.785 8.589 4.337) 10.746 2.513 ( -1.572 -3.626 3.839) 5.509 2.726 ( 3.463 -3.285 -3.605) 5.981 2.858 ( -3.547 6.837 -1.377) 7.825 3.082 ( 0.689 -11.375 -1.994) 11.569 3.406 ( -4.250 1.129 -2.568) 5.092 3.541 ( 6.447 3.813 4.864) 8.931 3.606 ( -1.881 -2.481 -9.680) 10.168 3.786 ( -3.631 11.778 0.476) 12.334 3.802 ( 1.113 -1.067 7.450) 7.608 3.983 ( 10.758 3.149 6.036) 12.731 4.164 ( 7.097 -5.664 -5.905) 10.832 4.203 ( -14.679 -0.992 -2.361) 14.900 4.343 ( -8.507 19.735 -0.390) 21.494 4.622 ( -1.362 11.294 -4.579) 12.263 4.926 ( 3.699 7.164 -4.857) 9.413 5.029 ( 5.079 -4.634 -4.049) 7.980 5.149 ( -0.898 -1.439 -8.835) 8.996 5.242 ( -0.562 2.980 -0.222) 3.041 5.510 ( 3.109 7.595 3.723) 9.012 5.599 ( -11.953 4.061 -2.812) 12.934 5.797 ( 10.879 19.493 -7.529) 23.559 6.325 ( 3.004 -5.788 -9.093) 11.190 6.753 ( -5.110 9.132 -17.695) 20.558 6.986 ( -0.111 18.262 -13.663) 22.808 7.901 ( 2.358 -13.873 2.947) 14.377 8.017 ( -7.949 -16.032 8.052) 19.623 8.396 ( 9.738 -10.097 -9.317) 16.840 8.593 ( -5.102 -2.160 -2.634) 6.135 9.008 ( 2.603 13.513 10.862) 17.532 9.299 ( -0.649 -8.930 8.077) 12.058 9.817 ( -1.278 -1.171 2.787) 3.282 10.047 ( -6.717 -2.016 0.492) 7.031 10.098 ( 7.594 -7.252 5.751) 11.972 10.546 ( -2.466 10.708 5.807) 12.429 10.759 ( -2.815 -2.624 5.019) 6.324 10.844 ( 4.724 3.517 3.199) 6.702 11.214 ( -0.040 -4.157 11.959) 12.661 12.406 ( -2.902 -10.631 4.614) 11.947 12.549 ( 2.428 1.643 2.438) 3.813 13.024 ( 1.738 -2.947 4.470) 5.629 13.077 ( -0.665 -0.839 2.525) 2.743 13.412 ( -0.109 0.191 8.880) 8.883 14.271 ( -0.226 -3.539 -19.535) 19.854 15.111 ( 3.153 -6.751 0.593) 7.475 15.188 ( -6.373 -7.915 -2.433) 10.449 15.476 ( -1.236 4.904 -2.459) 5.624 15.540 ( 4.701 6.931 -6.207) 10.424 16.527 ( -0.379 6.751 4.281) 8.003 18.504 ( -0.084 -5.331 7.020) 8.815 ======================= Grid point 123 (54/60) ======================= q-point: (-0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -15.853 -1.919 -10.104) 18.897 1.047 ( -0.467 -5.214 -5.523) 7.610 1.286 ( 7.744 -7.444 -5.242) 11.953 1.354 ( -5.854 -4.649 -15.716) 17.403 1.538 ( -2.057 -1.899 -5.105) 5.822 1.873 ( -0.683 -3.601 -5.714) 6.789 1.985 ( 2.713 -3.107 2.591) 4.872 2.075 ( 0.282 -1.908 -3.006) 3.571 2.138 ( -4.586 -2.489 3.312) 6.180 2.442 ( -8.587 -6.117 6.530) 12.401 2.526 ( 8.430 3.731 2.665) 9.596 2.648 ( -3.102 6.197 8.942) 11.313 2.802 ( 9.589 -6.435 1.772) 11.683 2.916 ( 5.247 4.564 1.124) 7.044 3.049 ( 0.316 0.070 2.316) 2.338 3.309 ( 4.873 -0.083 -9.962) 11.090 3.497 ( 4.985 2.958 -12.062) 13.382 3.590 ( 4.474 -1.218 -11.659) 12.547 3.764 ( -24.204 2.395 8.999) 25.933 3.839 ( -1.122 0.297 1.592) 1.971 3.935 ( -4.737 6.292 2.627) 8.303 4.076 ( -3.790 -6.132 -4.448) 8.470 4.364 ( 13.494 4.901 7.966) 16.418 4.425 ( 1.857 3.920 4.260) 6.080 4.706 ( 7.643 13.790 -6.144) 16.921 4.993 ( 16.456 8.061 -11.766) 21.777 5.126 ( -1.075 3.893 7.463) 8.485 5.187 ( 3.980 14.460 0.857) 15.023 5.310 ( 5.529 6.304 0.533) 8.402 5.560 ( 9.591 9.293 -2.863) 13.658 5.792 ( 3.375 12.062 14.191) 18.928 6.115 ( 10.362 11.911 2.308) 15.955 6.298 ( 10.800 0.794 -7.948) 13.433 6.520 ( -3.659 13.914 -9.818) 17.418 7.008 ( 8.175 18.500 -20.235) 28.610 7.669 ( -12.072 -19.864 0.976) 23.265 7.812 ( -12.130 -19.803 3.336) 23.461 8.290 ( 4.125 -4.334 -11.345) 12.826 8.492 ( -6.712 1.174 1.161) 6.912 9.237 ( -5.283 -10.198 5.489) 12.730 9.373 ( 10.667 7.996 10.000) 16.665 9.817 ( -3.406 -5.860 4.830) 8.323 9.910 ( -6.602 -3.018 -2.891) 7.814 10.164 ( 4.446 -7.436 1.289) 8.759 10.645 ( -5.191 -1.036 4.645) 7.042 10.763 ( -1.594 0.524 6.990) 7.189 10.996 ( 6.881 8.306 -1.696) 10.919 11.210 ( -9.079 -6.588 5.837) 12.645 12.278 ( -4.830 -16.110 0.807) 16.838 12.586 ( -1.348 0.838 0.726) 1.745 13.046 ( -4.427 -2.648 2.524) 5.743 13.096 ( 1.046 -0.200 3.433) 3.594 13.500 ( -3.660 -5.384 8.036) 10.341 13.993 ( -1.478 1.718 -14.503) 14.679 14.953 ( -8.439 -10.093 0.894) 13.187 15.175 ( 7.906 -4.926 -0.787) 9.348 15.462 ( -2.611 6.770 -2.682) 7.736 15.623 ( 5.375 8.850 -3.428) 10.907 16.642 ( 2.339 5.097 2.658) 6.206 18.473 ( -5.820 -8.426 3.607) 10.857 ======================= Grid point 124 (55/60) ======================= q-point: (-0.29 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( -10.007 -16.996 7.856) 21.230 1.036 ( -7.981 -5.416 -2.515) 9.968 1.175 ( 7.181 -2.099 -3.001) 8.061 1.333 ( 7.864 1.499 2.956) 8.534 1.444 ( 0.247 5.171 -10.526) 11.730 1.791 ( -1.835 -4.780 0.427) 5.138 1.918 ( -5.727 -3.758 -3.405) 7.649 2.003 ( 1.191 -0.617 -2.702) 3.016 2.125 ( -4.822 1.835 0.795) 5.221 2.388 ( -1.575 -1.291 2.343) 3.104 2.621 ( 0.161 -3.159 0.499) 3.202 2.729 ( -2.087 4.334 2.536) 5.438 2.794 ( 4.699 -11.246 -5.093) 13.209 3.011 ( 4.283 0.977 -6.426) 7.784 3.156 ( 1.338 1.072 8.657) 8.825 3.315 ( 4.701 -7.134 -7.234) 11.195 3.348 ( -5.296 8.048 0.017) 9.634 3.439 ( -5.884 3.145 -3.540) 7.553 3.765 ( 6.083 4.516 1.587) 7.741 3.863 ( 2.416 6.038 -5.517) 8.529 3.956 ( -4.896 -1.220 3.950) 6.408 4.053 ( -0.613 9.506 8.910) 13.043 4.503 ( 5.855 6.655 1.808) 9.046 4.742 ( 14.602 -5.068 4.052) 15.979 4.875 ( 15.217 13.723 -3.349) 20.763 5.124 ( -3.895 10.335 -2.671) 11.363 5.220 ( 15.344 1.068 -1.581) 15.462 5.374 ( 1.593 16.300 0.978) 16.407 5.557 ( 6.911 10.812 4.254) 13.519 5.721 ( 7.112 4.628 -5.933) 10.354 6.058 ( 3.445 5.668 0.886) 6.692 6.204 ( 8.306 0.098 -13.439) 15.799 6.507 ( 16.389 16.758 20.477) 31.125 6.820 ( 5.921 10.678 -5.854) 13.541 6.966 ( 12.188 18.792 -10.462) 24.721 7.357 ( -15.977 -19.314 2.724) 25.214 7.549 ( -5.870 -5.828 3.920) 9.154 8.223 ( 7.559 -0.689 -7.394) 10.596 8.400 ( -9.527 -1.042 1.547) 9.708 9.073 ( -9.078 -11.115 -0.623) 14.364 9.610 ( -0.349 2.092 -6.107) 6.465 9.677 ( -9.326 -15.258 5.882) 18.825 9.863 ( 3.858 0.752 8.103) 9.006 10.159 ( 1.687 1.163 -5.370) 5.747 10.526 ( -10.621 -14.110 8.043) 19.405 10.777 ( -4.183 -7.397 -2.217) 8.782 10.964 ( -13.851 -0.984 1.819) 14.004 11.243 ( 11.052 9.496 -1.139) 14.616 12.045 ( -9.970 -12.673 -0.540) 16.133 12.562 ( -1.211 -1.333 -0.451) 1.857 12.982 ( -4.855 -4.429 2.833) 7.156 13.114 ( -0.849 -1.451 -0.468) 1.745 13.339 ( -11.421 -11.237 -0.382) 16.027 14.027 ( 8.559 10.383 0.883) 13.485 14.806 ( -3.772 -10.401 2.692) 11.387 15.223 ( 3.977 0.904 -3.569) 5.419 15.464 ( -1.634 5.877 0.810) 6.154 15.736 ( 5.717 6.221 -1.519) 8.585 16.724 ( 1.221 2.070 1.067) 2.630 18.313 ( -9.385 -10.097 1.693) 13.889 ======================= Grid point 129 (56/60) ======================= q-point: ( 0.43 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 19.592 -9.814 -12.653) 25.303 0.976 ( -10.299 4.943 -0.200) 11.426 1.345 ( 2.579 -8.617 -8.453) 12.343 1.395 ( 2.016 0.929 -14.722) 14.889 1.607 ( 3.894 -2.457 -7.816) 9.071 1.832 ( -5.599 -0.285 -2.152) 6.005 1.937 ( -1.768 -7.689 -0.030) 7.889 2.082 ( -0.873 -1.068 0.700) 1.547 2.168 ( 10.520 -5.037 -2.520) 11.933 2.371 ( -0.506 2.095 7.533) 7.836 2.562 ( 1.282 -2.960 7.945) 8.575 2.647 ( -1.721 -11.283 2.838) 11.761 2.685 ( -3.401 5.431 7.654) 9.982 2.959 ( -8.700 2.497 -2.576) 9.411 3.082 ( -1.661 3.639 4.978) 6.386 3.380 ( -5.093 -5.830 -12.084) 14.351 3.454 ( 2.446 1.246 -5.614) 6.249 3.487 ( -4.312 6.921 -11.397) 14.014 3.738 ( 18.249 -5.252 3.446) 19.300 3.844 ( 3.792 -0.414 2.612) 4.623 3.993 ( -1.154 9.006 2.630) 9.453 4.146 ( 1.680 9.717 5.893) 11.488 4.395 ( -9.179 -1.548 -5.547) 10.836 4.590 ( 2.576 15.880 -3.137) 16.391 4.743 ( -14.451 -3.677 -8.225) 17.029 4.827 ( -17.084 17.229 3.160) 24.468 5.083 ( 2.997 -0.118 4.544) 5.444 5.200 ( 0.552 12.773 4.408) 13.523 5.304 ( -10.347 8.759 -4.813) 14.386 5.597 ( -7.447 7.380 0.781) 10.513 5.805 ( 0.254 15.645 0.687) 15.662 5.945 ( -12.728 4.014 11.136) 17.382 6.192 ( -3.240 -4.336 1.274) 5.561 6.679 ( -2.850 18.873 -17.706) 26.035 7.027 ( -10.291 19.668 -20.214) 30.023 7.739 ( 12.287 -15.827 5.014) 20.655 7.995 ( 0.530 -17.146 -1.612) 17.230 8.038 ( 8.254 -7.244 -6.495) 12.759 8.511 ( 5.545 -1.403 -1.675) 5.960 9.232 ( 4.160 -6.661 7.586) 10.919 9.322 ( -7.711 0.511 7.965) 11.098 9.883 ( 1.469 1.036 0.719) 1.936 9.971 ( 6.006 -3.401 1.843) 7.143 10.102 ( -5.348 -5.613 -0.576) 7.775 10.703 ( 7.074 -7.429 9.599) 14.049 10.802 ( 3.815 9.002 0.435) 9.787 10.910 ( -12.532 3.684 0.835) 13.089 11.190 ( 11.743 -8.342 6.003) 15.605 12.342 ( 3.738 -14.755 -2.198) 15.379 12.535 ( 1.850 0.551 3.101) 3.653 13.029 ( 3.643 -2.036 4.568) 6.187 13.092 ( 0.095 -1.503 2.464) 2.888 13.475 ( 4.624 -7.160 6.748) 10.871 14.023 ( 0.684 3.396 -13.480) 13.918 15.003 ( 4.339 -8.439 1.067) 9.549 15.174 ( -2.224 -3.612 -3.123) 5.268 15.481 ( -1.518 3.795 -3.955) 5.687 15.553 ( -2.904 8.901 0.221) 9.365 16.647 ( -2.383 5.281 2.283) 6.227 18.476 ( 5.652 -8.151 3.498) 10.518 ======================= Grid point 130 (57/60) ======================= q-point: (-0.43 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 4.999 -13.277 -17.084) 22.206 1.056 ( -1.086 -1.327 1.885) 2.548 1.105 ( -4.598 2.487 6.912) 8.666 1.238 ( -1.827 1.497 -8.116) 8.452 1.454 ( -2.620 -6.940 -6.039) 9.565 1.863 ( 0.835 3.829 -0.048) 3.920 1.886 ( 4.285 -10.701 6.028) 13.008 2.061 ( 0.070 -0.746 -1.710) 1.867 2.122 ( -1.808 -7.470 -2.067) 7.959 2.449 ( 0.581 -5.236 -1.079) 5.378 2.594 ( 3.769 3.833 3.756) 6.558 2.735 ( -5.678 -2.600 6.533) 9.038 2.829 ( 3.579 -0.811 9.686) 10.358 2.913 ( 4.375 3.731 -0.040) 5.750 3.124 ( -4.485 4.276 4.097) 7.429 3.200 ( -2.769 -0.615 -1.765) 3.341 3.350 ( -2.924 5.283 -6.999) 9.244 3.442 ( 6.227 3.470 -6.319) 9.526 3.780 ( -2.302 -6.707 -7.204) 10.108 3.895 ( 4.936 -2.533 -2.139) 5.946 4.003 ( -3.422 -3.052 -3.350) 5.679 4.218 ( 5.631 -2.986 -5.296) 8.287 4.332 ( -4.436 11.085 5.022) 12.953 4.503 ( -9.186 8.619 6.291) 14.080 4.805 ( -1.869 20.582 -0.646) 20.677 4.893 ( 4.377 14.356 5.221) 15.890 5.197 ( 3.771 6.977 0.016) 7.931 5.253 ( 2.462 14.025 -4.661) 14.983 5.400 ( -3.359 7.263 2.376) 8.347 5.542 ( 0.024 9.981 4.617) 10.997 5.988 ( 0.999 11.064 2.784) 11.453 6.124 ( 5.334 10.465 -5.208) 12.849 6.314 ( -2.831 10.146 23.515) 25.766 6.538 ( 1.699 18.844 -8.441) 20.719 6.859 ( -2.843 20.657 -22.483) 30.664 7.643 ( -8.307 -23.458 -0.513) 24.891 7.762 ( 7.284 -21.295 1.149) 22.536 8.130 ( -1.068 2.857 -1.299) 3.316 8.487 ( 1.338 -4.456 -3.073) 5.575 9.214 ( -0.125 -15.340 2.639) 15.566 9.466 ( 2.715 5.959 9.366) 11.428 9.884 ( -1.509 7.117 -3.087) 7.903 9.916 ( -2.734 -11.408 -2.692) 12.036 10.070 ( 1.052 -7.820 6.020) 9.924 10.757 ( -6.529 -6.059 -0.877) 8.950 10.808 ( 2.823 -6.833 2.917) 7.948 10.957 ( 5.260 11.900 -0.027) 13.011 11.227 ( -0.693 -8.561 -1.651) 8.746 12.201 ( -2.058 -18.985 1.226) 19.135 12.589 ( 1.776 0.172 -0.027) 1.784 13.063 ( 0.075 -4.284 -0.915) 4.381 13.108 ( 0.284 -1.029 2.412) 2.638 13.509 ( 1.202 -15.673 2.477) 15.913 13.920 ( -1.380 11.899 -6.583) 13.669 14.992 ( 3.894 -7.623 -1.385) 8.671 15.085 ( -6.813 -2.947 4.657) 8.763 15.468 ( 2.753 3.995 -3.166) 5.793 15.628 ( 0.218 10.902 -0.850) 10.937 16.690 ( -0.132 4.638 0.473) 4.663 18.459 ( -0.087 -11.394 0.402) 11.401 ======================= Grid point 131 (58/60) ======================= q-point: (-0.29 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -8.510 -21.815 -3.589) 23.690 1.063 ( -3.815 2.888 10.764) 11.779 1.164 ( 3.732 -7.867 -3.301) 9.313 1.287 ( 0.995 6.086 8.950) 10.868 1.403 ( 0.485 -2.014 5.129) 5.531 1.867 ( -3.645 -7.184 4.549) 9.252 1.921 ( -0.061 0.511 -1.344) 1.439 2.013 ( -4.521 5.039 2.139) 7.100 2.106 ( 5.856 -0.874 -2.724) 6.517 2.457 ( 1.053 0.615 1.095) 1.639 2.527 ( -6.631 -4.792 -4.779) 9.475 2.625 ( -2.466 -6.307 -5.847) 8.947 2.819 ( -1.152 -0.897 -1.884) 2.384 2.987 ( -8.020 -1.609 2.511) 8.556 3.226 ( 2.640 2.100 4.363) 5.515 3.275 ( 1.093 5.036 7.664) 9.235 3.349 ( 3.619 -0.512 -1.787) 4.069 3.538 ( 2.273 5.626 3.990) 7.262 3.638 ( 3.324 3.105 -8.683) 9.802 3.894 ( 2.296 6.224 0.145) 6.636 3.950 ( 3.235 -2.750 4.543) 6.219 4.287 ( 16.314 -2.115 -6.868) 17.827 4.448 ( -8.820 15.867 8.875) 20.207 4.629 ( 4.853 7.023 3.650) 9.284 4.904 ( -5.892 10.561 2.433) 12.336 5.058 ( 6.459 0.709 -2.140) 6.841 5.246 ( -0.808 15.205 -2.135) 15.376 5.401 ( 11.744 5.808 -10.195) 16.601 5.521 ( 2.374 17.587 3.393) 18.068 5.805 ( 5.274 10.675 13.021) 17.644 5.979 ( -1.353 6.151 -12.200) 13.729 6.114 ( -5.877 11.990 -4.915) 14.229 6.576 ( -0.545 11.050 -21.098) 23.823 6.742 ( 10.520 20.886 12.591) 26.560 7.050 ( 14.104 16.422 20.197) 29.606 7.381 ( -4.991 -19.686 3.331) 20.580 7.731 ( -3.176 -9.116 7.659) 12.323 8.012 ( -2.710 0.803 -8.211) 8.684 8.432 ( -0.180 -4.834 -2.363) 5.384 9.072 ( -5.640 -13.928 -0.112) 15.027 9.567 ( -2.667 4.971 -5.429) 7.829 9.706 ( -6.144 -16.807 -0.244) 17.897 9.960 ( 3.913 4.275 6.537) 8.736 10.088 ( 0.171 -2.440 1.797) 3.035 10.581 ( -4.212 -12.145 -3.647) 13.362 10.725 ( -6.812 -11.286 -1.071) 13.226 10.985 ( 1.432 -16.568 -7.189) 18.117 11.209 ( 4.022 19.441 0.125) 19.853 12.042 ( -3.575 -17.498 4.922) 18.525 12.581 ( -2.197 1.707 -1.970) 3.409 12.993 ( -0.874 -5.130 -2.078) 5.604 13.104 ( -1.017 -0.980 -0.609) 1.538 13.312 ( -5.249 -16.771 -2.676) 17.776 14.037 ( 5.420 11.235 1.436) 12.556 14.881 ( -9.425 -6.136 1.948) 11.414 15.125 ( 5.142 -1.105 1.805) 5.561 15.520 ( 2.618 3.978 -0.031) 4.762 15.707 ( 1.942 8.744 -1.841) 9.144 16.723 ( 1.191 1.753 -0.990) 2.339 18.317 ( -3.867 -13.048 -1.200) 13.662 ======================= Grid point 171 (59/60) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.000 0.000 -0.276) 0.276 1.250 ( 0.000 0.000 -13.841) 13.841 1.250 ( 0.000 0.000 -13.841) 13.841 1.656 ( 0.000 0.000 -5.698) 5.698 1.656 ( 0.000 0.000 -5.698) 5.698 1.829 ( -0.000 -0.000 2.324) 2.324 1.948 ( 0.000 0.000 -6.837) 6.837 2.286 ( -0.000 -0.000 6.940) 6.940 2.286 ( -0.000 -0.000 6.940) 6.940 2.406 ( 0.000 0.000 2.725) 2.725 2.406 ( -0.000 -0.000 2.725) 2.725 2.564 ( -0.000 -0.000 0.805) 0.805 2.760 ( 0.000 -0.000 3.126) 3.126 2.760 ( -0.000 -0.000 3.126) 3.126 3.232 ( 0.000 0.000 -3.500) 3.500 3.232 ( 0.000 0.000 -3.500) 3.500 3.480 ( 0.000 0.000 -14.047) 14.047 3.480 ( 0.000 0.000 -14.047) 14.047 3.774 ( -0.000 -0.000 16.938) 16.938 3.961 ( -0.000 -0.000 9.617) 9.617 4.088 ( 0.000 -0.000 3.164) 3.164 4.088 ( -0.000 0.000 3.164) 3.164 4.306 ( 0.000 -0.000 1.351) 1.351 4.306 ( -0.000 -0.000 1.351) 1.351 4.325 ( -0.000 -0.000 4.025) 4.025 4.769 ( 0.000 0.000 -14.751) 14.751 5.056 ( 0.000 0.000 -12.919) 12.919 5.056 ( 0.000 0.000 -12.919) 12.919 5.057 ( -0.000 -0.000 1.250) 1.250 5.375 ( 0.000 0.000 -6.815) 6.815 5.665 ( -0.000 -0.000 14.322) 14.322 5.665 ( -0.000 -0.000 14.322) 14.322 6.279 ( 0.000 0.000 -5.765) 5.765 6.553 ( 0.000 0.000 -16.344) 16.344 6.553 ( 0.000 0.000 -16.344) 16.344 8.094 ( 0.000 0.000 -0.852) 0.852 8.094 ( -0.000 0.000 -0.852) 0.852 8.546 ( 0.000 0.000 -2.649) 2.649 8.546 ( 0.000 0.000 -2.649) 2.649 8.978 ( -0.000 -0.000 11.617) 11.617 9.458 ( -0.000 -0.000 5.180) 5.180 9.714 ( 0.000 0.000 -6.457) 6.457 10.213 ( -0.000 -0.000 4.419) 4.419 10.213 ( -0.000 -0.000 4.419) 4.419 10.442 ( -0.000 -0.000 2.287) 2.287 10.873 ( -0.000 -0.000 4.596) 4.596 10.873 ( -0.000 -0.000 4.596) 4.596 11.412 ( -0.000 -0.000 9.228) 9.228 12.565 ( -0.000 -0.000 3.550) 3.550 12.565 ( -0.000 -0.000 3.550) 3.550 13.112 ( -0.000 -0.000 2.591) 2.591 13.112 ( -0.000 -0.000 2.591) 2.591 13.509 ( -0.000 -0.000 8.106) 8.106 14.069 ( 0.000 0.000 -16.970) 16.970 15.204 ( 0.000 0.000 -0.486) 0.486 15.204 ( -0.000 0.000 -0.486) 0.486 15.390 ( 0.000 0.000 -4.525) 4.525 15.390 ( 0.000 0.000 -4.525) 4.525 16.526 ( -0.000 -0.000 3.935) 3.935 18.629 ( -0.000 -0.000 4.592) 4.592 ======================= Grid point 172 (60/60) ======================= q-point: (-0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -3.088 -3.301 0.906) 4.610 1.056 ( -7.055 1.355 4.799) 8.639 1.200 ( 2.021 -0.787 -10.627) 10.846 1.409 ( -11.126 -8.643 -8.653) 16.533 1.538 ( -2.925 -2.789 -0.840) 4.128 1.823 ( -2.308 0.028 -1.609) 2.813 1.969 ( 5.879 3.987 -1.079) 7.185 2.189 ( -8.824 -11.211 -0.053) 14.268 2.235 ( -11.664 0.055 2.001) 11.835 2.474 ( -2.085 5.177 1.933) 5.906 2.512 ( 10.744 -1.909 1.326) 10.993 2.719 ( 10.815 7.978 -2.167) 13.613 2.781 ( -1.744 -1.329 9.409) 9.661 2.891 ( 4.799 2.492 1.059) 5.511 3.118 ( -2.945 -2.312 1.099) 3.902 3.223 ( -3.529 1.102 -14.724) 15.181 3.291 ( 6.411 -2.306 3.730) 7.767 3.389 ( -1.069 3.892 -9.569) 10.385 3.886 ( -6.126 -2.835 0.886) 6.808 3.971 ( -11.760 -5.176 8.056) 15.165 3.994 ( -3.671 -4.794 4.247) 7.383 4.180 ( 2.015 -3.716 11.056) 11.837 4.328 ( -2.067 2.804 -8.437) 9.127 4.422 ( 11.345 11.709 5.144) 17.096 4.487 ( 8.273 -1.323 -5.229) 9.876 4.705 ( 17.792 6.859 -11.970) 22.514 4.956 ( 7.076 5.817 2.048) 9.386 5.131 ( 9.090 7.364 -3.454) 12.198 5.170 ( 6.496 5.057 6.370) 10.409 5.384 ( 11.442 4.750 -6.096) 13.807 5.850 ( 2.126 2.747 14.795) 15.198 5.949 ( 5.277 5.030 -0.603) 7.315 6.276 ( 6.899 1.000 0.041) 6.972 6.359 ( 4.561 3.268 3.559) 6.644 6.507 ( 10.431 6.009 -21.459) 24.605 7.958 ( -8.441 -11.266 -2.099) 14.234 8.016 ( -10.574 -1.513 3.400) 11.210 8.302 ( -16.144 -7.065 -6.398) 18.748 8.502 ( -1.485 -1.793 2.427) 3.363 9.291 ( 13.919 9.197 5.163) 17.463 9.427 ( -8.063 -4.813 1.796) 9.561 9.711 ( 7.163 3.170 -4.160) 8.870 10.116 ( -9.549 -7.097 3.025) 12.276 10.217 ( -4.483 -0.341 -0.897) 4.585 10.620 ( 12.521 5.833 1.772) 13.927 10.862 ( -4.869 -3.146 3.885) 6.978 10.929 ( 0.579 1.343 -0.725) 1.632 11.400 ( -9.558 -5.356 3.497) 11.501 12.487 ( -10.273 -7.318 -0.461) 12.621 12.587 ( -1.354 0.504 1.598) 2.154 13.108 ( -2.742 -1.312 1.794) 3.529 13.133 ( -0.453 -0.224 0.844) 0.983 13.655 ( 1.732 1.907 10.593) 10.901 13.822 ( -4.089 -3.383 -13.289) 14.309 15.107 ( -5.938 -5.749 1.128) 8.342 15.181 ( -2.659 0.739 -3.336) 4.330 15.380 ( 3.760 0.170 0.341) 3.779 15.452 ( 7.373 6.326 -1.565) 9.841 16.605 ( 4.052 2.281 1.288) 4.825 18.611 ( -5.965 -3.476 1.491) 7.064 =================== 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 3/20580 10.0 11.024 11.024 10.948 0.000 -0.000 -0.000 3/20580 20.0 4.889 4.889 5.194 0.000 -0.000 -0.000 3/20580 30.0 3.212 3.212 3.508 0.000 -0.000 -0.000 3/20580 40.0 2.467 2.467 2.699 0.000 -0.000 -0.000 3/20580 50.0 2.032 2.032 2.210 0.000 -0.000 -0.000 3/20580 60.0 1.737 1.737 1.877 0.000 -0.000 -0.000 3/20580 70.0 1.522 1.522 1.633 0.000 -0.000 -0.000 3/20580 80.0 1.356 1.356 1.446 0.000 -0.000 -0.000 3/20580 90.0 1.224 1.224 1.298 0.000 -0.000 -0.000 3/20580 100.0 1.117 1.117 1.177 0.000 -0.000 -0.000 3/20580 110.0 1.027 1.027 1.078 0.000 -0.000 -0.000 3/20580 120.0 0.951 0.951 0.993 0.000 -0.000 -0.000 3/20580 130.0 0.887 0.887 0.922 0.000 -0.000 -0.000 3/20580 140.0 0.830 0.830 0.860 0.000 -0.000 -0.000 3/20580 150.0 0.781 0.781 0.806 0.000 -0.000 -0.000 3/20580 160.0 0.737 0.737 0.758 0.000 -0.000 -0.000 3/20580 170.0 0.698 0.698 0.716 0.000 -0.000 -0.000 3/20580 180.0 0.663 0.663 0.678 0.000 -0.000 -0.000 3/20580 190.0 0.632 0.632 0.644 0.000 -0.000 -0.000 3/20580 200.0 0.603 0.603 0.614 0.000 -0.000 -0.000 3/20580 210.0 0.577 0.577 0.586 0.000 -0.000 -0.000 3/20580 220.0 0.553 0.553 0.560 0.000 -0.000 -0.000 3/20580 230.0 0.531 0.531 0.537 0.000 -0.000 -0.000 3/20580 240.0 0.510 0.510 0.515 0.000 -0.000 -0.000 3/20580 250.0 0.491 0.491 0.496 0.000 -0.000 -0.000 3/20580 260.0 0.474 0.474 0.477 0.000 -0.000 -0.000 3/20580 270.0 0.457 0.457 0.460 0.000 -0.000 -0.000 3/20580 280.0 0.442 0.442 0.444 0.000 -0.000 -0.000 3/20580 290.0 0.428 0.428 0.429 0.000 -0.000 -0.000 3/20580 300.0 0.414 0.414 0.416 0.000 -0.000 -0.000 3/20580 310.0 0.402 0.402 0.403 0.000 -0.000 -0.000 3/20580 320.0 0.390 0.390 0.390 0.000 -0.000 -0.000 3/20580 330.0 0.379 0.379 0.379 0.000 -0.000 -0.000 3/20580 340.0 0.368 0.368 0.368 0.000 -0.000 -0.000 3/20580 350.0 0.358 0.358 0.358 0.000 -0.000 -0.000 3/20580 360.0 0.349 0.349 0.348 0.000 -0.000 -0.000 3/20580 370.0 0.340 0.340 0.339 0.000 -0.000 -0.000 3/20580 380.0 0.331 0.331 0.330 0.000 -0.000 -0.000 3/20580 390.0 0.323 0.323 0.322 0.000 -0.000 -0.000 3/20580 400.0 0.315 0.315 0.314 0.000 -0.000 -0.000 3/20580 410.0 0.308 0.308 0.306 0.000 -0.000 -0.000 3/20580 420.0 0.301 0.301 0.299 0.000 -0.000 -0.000 3/20580 430.0 0.294 0.294 0.292 0.000 -0.000 -0.000 3/20580 440.0 0.287 0.287 0.286 0.000 -0.000 -0.000 3/20580 450.0 0.281 0.281 0.280 0.000 -0.000 -0.000 3/20580 460.0 0.275 0.275 0.274 0.000 -0.000 -0.000 3/20580 470.0 0.270 0.270 0.268 0.000 -0.000 -0.000 3/20580 480.0 0.264 0.264 0.262 0.000 -0.000 -0.000 3/20580 490.0 0.259 0.259 0.257 0.000 -0.000 -0.000 3/20580 500.0 0.254 0.254 0.252 0.000 -0.000 -0.000 3/20580 510.0 0.249 0.249 0.247 0.000 -0.000 -0.000 3/20580 520.0 0.244 0.244 0.243 0.000 -0.000 -0.000 3/20580 530.0 0.240 0.240 0.238 0.000 -0.000 -0.000 3/20580 540.0 0.236 0.236 0.234 0.000 -0.000 -0.000 3/20580 550.0 0.231 0.231 0.229 0.000 -0.000 -0.000 3/20580 560.0 0.227 0.227 0.225 0.000 -0.000 -0.000 3/20580 570.0 0.223 0.223 0.222 0.000 -0.000 -0.000 3/20580 580.0 0.220 0.220 0.218 0.000 -0.000 -0.000 3/20580 590.0 0.216 0.216 0.214 0.000 -0.000 -0.000 3/20580 600.0 0.212 0.212 0.211 0.000 -0.000 -0.000 3/20580 610.0 0.209 0.209 0.207 0.000 -0.000 -0.000 3/20580 620.0 0.206 0.206 0.204 0.000 -0.000 -0.000 3/20580 630.0 0.203 0.203 0.201 0.000 -0.000 -0.000 3/20580 640.0 0.199 0.199 0.198 0.000 -0.000 -0.000 3/20580 650.0 0.196 0.196 0.195 0.000 -0.000 -0.000 3/20580 660.0 0.193 0.193 0.192 0.000 -0.000 -0.000 3/20580 670.0 0.191 0.191 0.189 0.000 -0.000 -0.000 3/20580 680.0 0.188 0.188 0.186 0.000 -0.000 -0.000 3/20580 690.0 0.185 0.185 0.183 0.000 -0.000 -0.000 3/20580 700.0 0.183 0.183 0.181 0.000 -0.000 -0.000 3/20580 710.0 0.180 0.180 0.178 0.000 -0.000 -0.000 3/20580 720.0 0.178 0.178 0.176 0.000 -0.000 -0.000 3/20580 730.0 0.175 0.175 0.173 0.000 -0.000 -0.000 3/20580 740.0 0.173 0.173 0.171 0.000 -0.000 -0.000 3/20580 750.0 0.171 0.171 0.169 0.000 -0.000 -0.000 3/20580 760.0 0.168 0.168 0.167 0.000 -0.000 -0.000 3/20580 770.0 0.166 0.166 0.164 0.000 -0.000 -0.000 3/20580 780.0 0.164 0.164 0.162 0.000 -0.000 -0.000 3/20580 790.0 0.162 0.162 0.160 0.000 -0.000 -0.000 3/20580 800.0 0.160 0.160 0.158 0.000 -0.000 -0.000 3/20580 810.0 0.158 0.158 0.156 0.000 -0.000 -0.000 3/20580 820.0 0.156 0.156 0.154 0.000 -0.000 -0.000 3/20580 830.0 0.154 0.154 0.153 0.000 -0.000 -0.000 3/20580 840.0 0.152 0.152 0.151 0.000 -0.000 -0.000 3/20580 850.0 0.151 0.151 0.149 0.000 -0.000 -0.000 3/20580 860.0 0.149 0.149 0.147 0.000 -0.000 -0.000 3/20580 870.0 0.147 0.147 0.146 0.000 -0.000 -0.000 3/20580 880.0 0.146 0.146 0.144 0.000 -0.000 -0.000 3/20580 890.0 0.144 0.144 0.142 0.000 -0.000 -0.000 3/20580 900.0 0.142 0.142 0.141 0.000 -0.000 -0.000 3/20580 910.0 0.141 0.141 0.139 0.000 -0.000 -0.000 3/20580 920.0 0.139 0.139 0.138 0.000 -0.000 -0.000 3/20580 930.0 0.138 0.138 0.136 0.000 -0.000 -0.000 3/20580 940.0 0.136 0.136 0.135 0.000 -0.000 -0.000 3/20580 950.0 0.135 0.135 0.133 0.000 -0.000 -0.000 3/20580 960.0 0.134 0.134 0.132 0.000 -0.000 -0.000 3/20580 970.0 0.132 0.132 0.131 0.000 -0.000 -0.000 3/20580 980.0 0.131 0.131 0.129 0.000 -0.000 -0.000 3/20580 990.0 0.130 0.130 0.128 0.000 -0.000 -0.000 3/20580 1000.0 0.128 0.128 0.127 0.000 -0.000 -0.000 3/20580 Thermal conductivity related properties were written into "kappa-m777.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:30:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|