----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:23:34]------------------------- 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: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.746167204512286 1.585500374764887 4.998345189999995 b -2.746167204512280 1.585500374764887 4.998345189999995 c -0.000000000000000 -3.171000749529774 4.998345189999995 Atomic positions (fractional): *1 Cd 0.63376720608784 0.63376720608784 0.63376720608784 112.411 2 Cd 0.36623279391216 0.36623279391216 0.36623279391216 112.411 *3 Sn 0.84616993902960 0.84616993902960 0.84616993902960 118.710 4 Sn 0.15383006097040 0.15383006097040 0.15383006097040 118.710 *5 O 0.55598584964210 0.21325200819584 0.96223429920555 15.999 6 O 0.78674799180416 0.03776570079445 0.44401415035790 15.999 7 O 0.03776570079445 0.44401415035790 0.78674799180416 15.999 8 O 0.96223429920555 0.55598584964211 0.21325200819584 15.999 9 O 0.21325200819584 0.96223429920555 0.55598584964210 15.999 10 O 0.44401415035790 0.78674799180416 0.03776570079445 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.492334409024567 0.000000000000000 0.000000000000000 b -2.746167204512283 4.756501124294666 0.000000000000000 c 0.000000000000000 0.000000000000000 14.995035570000001 Atomic positions (fractional): *1 Cd 0.66666666666667 0.33333333333333 0.96710053942117 112.411 > 1 2 Cd 0.66666666666667 0.33333333333333 0.69956612724550 112.411 > 2 3 Cd 0.33333333333333 0.66666666666667 0.30043387275450 112.411 > 1 4 Cd 0.33333333333333 0.66666666666667 0.03289946057883 112.411 > 2 5 Cd 0.00000000000000 0.00000000000000 0.63376720608783 112.411 > 1 6 Cd 0.00000000000000 0.00000000000000 0.36623279391216 112.411 > 2 *7 Sn 0.00000000000000 0.00000000000000 0.84616993902960 118.710 > 3 8 Sn 0.33333333333333 0.66666666666667 0.82049672763707 118.710 > 4 9 Sn 0.66666666666667 0.33333333333333 0.17950327236293 118.710 > 3 10 Sn 0.00000000000000 0.00000000000000 0.15383006097040 118.710 > 4 11 Sn 0.33333333333333 0.66666666666667 0.51283660569626 118.710 > 3 12 Sn 0.66666666666667 0.33333333333333 0.48716339430374 118.710 > 4 *13 O 0.64549513062760 0.94825641980895 0.91049071901450 15.999 > 5 14 O 0.03057204415199 0.31216179729427 0.75617594765217 15.999 > 6 15 O 0.28158975314228 0.96942795584801 0.75617594765217 15.999 > 7 16 O 0.05174358019105 0.69723871081866 0.91049071901450 15.999 > 8 17 O 0.30276128918134 0.35450486937240 0.91049071901450 15.999 > 9 18 O 0.68783820270573 0.71841024685772 0.75617594765217 15.999 > 10 19 O 0.31216179729427 0.28158975314228 0.24382405234783 15.999 > 5 20 O 0.69723871081866 0.64549513062760 0.08950928098550 15.999 > 6 21 O 0.94825641980895 0.30276128918134 0.08950928098550 15.999 > 7 22 O 0.71841024685772 0.03057204415199 0.24382405234783 15.999 > 8 23 O 0.96942795584801 0.68783820270573 0.24382405234783 15.999 > 9 24 O 0.35450486937239 0.05174358019105 0.08950928098550 15.999 > 10 25 O 0.97882846396094 0.61492308647561 0.57715738568117 15.999 > 5 26 O 0.36390537748532 0.97882846396094 0.42284261431883 15.999 > 6 27 O 0.61492308647561 0.63609462251468 0.42284261431883 15.999 > 7 28 O 0.38507691352439 0.36390537748532 0.57715738568117 15.999 > 8 29 O 0.63609462251468 0.02117153603906 0.57715738568117 15.999 > 9 30 O 0.02117153603906 0.38507691352439 0.42284261431883 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.984668818049133 0.000000000000000 0.000000000000000 b -5.492334409024566 9.513002248589332 0.000000000000000 c 0.000000000000000 0.000000000000000 14.995035570000001 Atomic positions (fractional): *1 Cd 0.33333333333333 0.16666666666667 0.96710053942117 112.411 > 1 2 Cd 0.83333333333333 0.16666666666667 0.96710053942117 112.411 > 1 3 Cd 0.33333333333333 0.66666666666667 0.96710053942117 112.411 > 1 4 Cd 0.83333333333333 0.66666666666667 0.96710053942117 112.411 > 1 5 Cd 0.33333333333333 0.16666666666667 0.69956612724550 112.411 > 2 6 Cd 0.83333333333333 0.16666666666667 0.69956612724550 112.411 > 2 7 Cd 0.33333333333333 0.66666666666667 0.69956612724550 112.411 > 2 8 Cd 0.83333333333333 0.66666666666667 0.69956612724550 112.411 > 2 9 Cd 0.16666666666667 0.33333333333333 0.30043387275450 112.411 > 1 10 Cd 0.66666666666667 0.33333333333333 0.30043387275450 112.411 > 1 11 Cd 0.16666666666667 0.83333333333333 0.30043387275450 112.411 > 1 12 Cd 0.66666666666667 0.83333333333333 0.30043387275450 112.411 > 1 13 Cd 0.16666666666667 0.33333333333333 0.03289946057883 112.411 > 2 14 Cd 0.66666666666667 0.33333333333333 0.03289946057883 112.411 > 2 15 Cd 0.16666666666667 0.83333333333333 0.03289946057883 112.411 > 2 16 Cd 0.66666666666667 0.83333333333333 0.03289946057883 112.411 > 2 17 Cd 0.00000000000000 0.00000000000000 0.63376720608783 112.411 > 1 18 Cd 0.50000000000000 0.00000000000000 0.63376720608783 112.411 > 1 19 Cd 0.00000000000000 0.50000000000000 0.63376720608783 112.411 > 1 20 Cd 0.50000000000000 0.50000000000000 0.63376720608783 112.411 > 1 21 Cd 0.00000000000000 0.00000000000000 0.36623279391216 112.411 > 2 22 Cd 0.50000000000000 0.00000000000000 0.36623279391216 112.411 > 2 23 Cd 0.00000000000000 0.50000000000000 0.36623279391216 112.411 > 2 24 Cd 0.50000000000000 0.50000000000000 0.36623279391216 112.411 > 2 *25 Sn 0.00000000000000 0.00000000000000 0.84616993902960 118.710 > 3 26 Sn 0.50000000000000 0.00000000000000 0.84616993902960 118.710 > 3 27 Sn 0.00000000000000 0.50000000000000 0.84616993902960 118.710 > 3 28 Sn 0.50000000000000 0.50000000000000 0.84616993902960 118.710 > 3 29 Sn 0.16666666666667 0.33333333333333 0.82049672763707 118.710 > 4 30 Sn 0.66666666666667 0.33333333333333 0.82049672763707 118.710 > 4 31 Sn 0.16666666666667 0.83333333333333 0.82049672763707 118.710 > 4 32 Sn 0.66666666666667 0.83333333333333 0.82049672763707 118.710 > 4 33 Sn 0.33333333333333 0.16666666666667 0.17950327236293 118.710 > 3 34 Sn 0.83333333333333 0.16666666666667 0.17950327236293 118.710 > 3 35 Sn 0.33333333333333 0.66666666666667 0.17950327236293 118.710 > 3 36 Sn 0.83333333333333 0.66666666666667 0.17950327236293 118.710 > 3 37 Sn 0.00000000000000 0.00000000000000 0.15383006097040 118.710 > 4 38 Sn 0.50000000000000 0.00000000000000 0.15383006097040 118.710 > 4 39 Sn 0.00000000000000 0.50000000000000 0.15383006097040 118.710 > 4 40 Sn 0.50000000000000 0.50000000000000 0.15383006097040 118.710 > 4 41 Sn 0.16666666666667 0.33333333333333 0.51283660569626 118.710 > 3 42 Sn 0.66666666666667 0.33333333333333 0.51283660569626 118.710 > 3 43 Sn 0.16666666666667 0.83333333333333 0.51283660569626 118.710 > 3 44 Sn 0.66666666666667 0.83333333333333 0.51283660569626 118.710 > 3 45 Sn 0.33333333333333 0.16666666666667 0.48716339430374 118.710 > 4 46 Sn 0.83333333333333 0.16666666666667 0.48716339430374 118.710 > 4 47 Sn 0.33333333333333 0.66666666666667 0.48716339430374 118.710 > 4 48 Sn 0.83333333333333 0.66666666666667 0.48716339430374 118.710 > 4 *49 O 0.32274756531380 0.47412820990447 0.91049071901450 15.999 > 5 50 O 0.82274756531380 0.47412820990447 0.91049071901450 15.999 > 5 51 O 0.32274756531380 0.97412820990447 0.91049071901450 15.999 > 5 52 O 0.82274756531380 0.97412820990447 0.91049071901450 15.999 > 5 53 O 0.01528602207600 0.15608089864714 0.75617594765217 15.999 > 6 54 O 0.51528602207600 0.15608089864714 0.75617594765217 15.999 > 6 55 O 0.01528602207600 0.65608089864714 0.75617594765217 15.999 > 6 56 O 0.51528602207600 0.65608089864714 0.75617594765217 15.999 > 6 57 O 0.14079487657114 0.48471397792400 0.75617594765217 15.999 > 7 58 O 0.64079487657114 0.48471397792400 0.75617594765217 15.999 > 7 59 O 0.14079487657114 0.98471397792400 0.75617594765217 15.999 > 7 60 O 0.64079487657114 0.98471397792400 0.75617594765217 15.999 > 7 61 O 0.02587179009553 0.34861935540933 0.91049071901450 15.999 > 8 62 O 0.52587179009553 0.34861935540933 0.91049071901450 15.999 > 8 63 O 0.02587179009553 0.84861935540933 0.91049071901450 15.999 > 8 64 O 0.52587179009553 0.84861935540933 0.91049071901450 15.999 > 8 65 O 0.15138064459067 0.17725243468620 0.91049071901450 15.999 > 9 66 O 0.65138064459067 0.17725243468620 0.91049071901450 15.999 > 9 67 O 0.15138064459067 0.67725243468620 0.91049071901450 15.999 > 9 68 O 0.65138064459067 0.67725243468620 0.91049071901450 15.999 > 9 69 O 0.34391910135286 0.35920512342886 0.75617594765217 15.999 > 10 70 O 0.84391910135286 0.35920512342886 0.75617594765217 15.999 > 10 71 O 0.34391910135286 0.85920512342886 0.75617594765217 15.999 > 10 72 O 0.84391910135286 0.85920512342886 0.75617594765217 15.999 > 10 73 O 0.15608089864714 0.14079487657114 0.24382405234783 15.999 > 5 74 O 0.65608089864714 0.14079487657114 0.24382405234783 15.999 > 5 75 O 0.15608089864714 0.64079487657114 0.24382405234783 15.999 > 5 76 O 0.65608089864714 0.64079487657114 0.24382405234783 15.999 > 5 77 O 0.34861935540933 0.32274756531380 0.08950928098550 15.999 > 6 78 O 0.84861935540933 0.32274756531380 0.08950928098550 15.999 > 6 79 O 0.34861935540933 0.82274756531380 0.08950928098550 15.999 > 6 80 O 0.84861935540933 0.82274756531380 0.08950928098550 15.999 > 6 81 O 0.47412820990447 0.15138064459067 0.08950928098550 15.999 > 7 82 O 0.97412820990447 0.15138064459067 0.08950928098550 15.999 > 7 83 O 0.47412820990447 0.65138064459067 0.08950928098550 15.999 > 7 84 O 0.97412820990447 0.65138064459067 0.08950928098550 15.999 > 7 85 O 0.35920512342886 0.01528602207600 0.24382405234783 15.999 > 8 86 O 0.85920512342886 0.01528602207600 0.24382405234783 15.999 > 8 87 O 0.35920512342886 0.51528602207600 0.24382405234783 15.999 > 8 88 O 0.85920512342886 0.51528602207600 0.24382405234783 15.999 > 8 89 O 0.48471397792400 0.34391910135286 0.24382405234783 15.999 > 9 90 O 0.98471397792400 0.34391910135286 0.24382405234783 15.999 > 9 91 O 0.48471397792400 0.84391910135286 0.24382405234783 15.999 > 9 92 O 0.98471397792400 0.84391910135286 0.24382405234783 15.999 > 9 93 O 0.17725243468620 0.02587179009553 0.08950928098550 15.999 > 10 94 O 0.67725243468620 0.02587179009553 0.08950928098550 15.999 > 10 95 O 0.17725243468620 0.52587179009553 0.08950928098550 15.999 > 10 96 O 0.67725243468620 0.52587179009553 0.08950928098550 15.999 > 10 97 O 0.48941423198047 0.30746154323781 0.57715738568117 15.999 > 5 98 O 0.98941423198047 0.30746154323781 0.57715738568117 15.999 > 5 99 O 0.48941423198047 0.80746154323781 0.57715738568117 15.999 > 5 100 O 0.98941423198047 0.80746154323781 0.57715738568117 15.999 > 5 101 O 0.18195268874266 0.48941423198047 0.42284261431883 15.999 > 6 102 O 0.68195268874266 0.48941423198047 0.42284261431883 15.999 > 6 103 O 0.18195268874266 0.98941423198047 0.42284261431883 15.999 > 6 104 O 0.68195268874266 0.98941423198047 0.42284261431883 15.999 > 6 105 O 0.30746154323781 0.31804731125734 0.42284261431883 15.999 > 7 106 O 0.80746154323781 0.31804731125734 0.42284261431883 15.999 > 7 107 O 0.30746154323781 0.81804731125734 0.42284261431883 15.999 > 7 108 O 0.80746154323781 0.81804731125734 0.42284261431883 15.999 > 7 109 O 0.19253845676219 0.18195268874266 0.57715738568117 15.999 > 8 110 O 0.69253845676219 0.18195268874266 0.57715738568117 15.999 > 8 111 O 0.19253845676219 0.68195268874266 0.57715738568117 15.999 > 8 112 O 0.69253845676219 0.68195268874266 0.57715738568117 15.999 > 8 113 O 0.31804731125734 0.01058576801953 0.57715738568117 15.999 > 9 114 O 0.81804731125734 0.01058576801953 0.57715738568117 15.999 > 9 115 O 0.31804731125734 0.51058576801953 0.57715738568117 15.999 > 9 116 O 0.81804731125734 0.51058576801953 0.57715738568117 15.999 > 9 117 O 0.01058576801953 0.19253845676219 0.42284261431883 15.999 > 10 118 O 0.51058576801953 0.19253845676219 0.42284261431883 15.999 > 10 119 O 0.01058576801953 0.69253845676219 0.42284261431883 15.999 > 10 120 O 0.51058576801953 0.69253845676219 0.42284261431883 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2061705 0.0000001 0.0000000 -0.0000001 5.2061705 0.0000000 0.0000000 0.0000000 4.8494373 -------------------------- Born effective charges -------------------------- 1 Cd 2.4837276 0.0255668 0.0000000 -0.0255668 2.4837276 0.0000000 0.0000000 0.0000000 2.6429852 2 Cd 2.4837276 0.0255668 0.0000000 -0.0255668 2.4837276 0.0000000 0.0000000 0.0000000 2.6429852 3 Sn 4.1288427 -0.0261531 0.0000000 0.0261531 4.1288427 0.0000000 0.0000000 0.0000000 3.4076223 4 Sn 4.1288427 -0.0261531 0.0000000 0.0261531 4.1288427 0.0000000 0.0000000 0.0000000 3.4076223 5 O -2.3025893 -0.2372578 0.3006911 -0.2376486 -2.1057909 -0.2845981 0.4142469 -0.2732869 -2.0168691 6 O -1.9493500 0.0337058 -0.3968147 0.0333150 -2.4590302 -0.1181071 -0.4437969 -0.2221049 -2.0168691 7 O -2.3606310 0.2041382 0.0961236 0.2037474 -2.0477492 0.4027052 0.0295499 0.4953918 -2.0168691 8 O -2.3606310 0.2041382 0.0961236 0.2037474 -2.0477492 0.4027052 0.0295499 0.4953918 -2.0168691 9 O -1.9493500 0.0337058 -0.3968147 0.0333150 -2.4590302 -0.1181071 -0.4437969 -0.2221049 -2.0168691 10 O -2.3025893 -0.2372578 0.3006911 -0.2376486 -2.1057909 -0.2845981 0.4142469 -0.2732869 -2.0168691 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 464 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 240 - Time: 1.031 Solver_block: 200 / 240 - Time: 1.073 Solver_block: 240 / 240 - Time: 0.492 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.622 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 464 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), 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 23:23:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:23:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 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 2.746167204512286 1.585500374764887 4.998345189999995 b -2.746167204512280 1.585500374764887 4.998345189999995 c -0.000000000000000 -3.171000749529774 4.998345189999995 Atomic positions (fractional): 1 Cd 0.63376720608784 0.63376720608784 0.63376720608784 112.411 2 Cd 0.36623279391216 0.36623279391216 0.36623279391216 112.411 3 Sn 0.84616993902960 0.84616993902960 0.84616993902960 118.710 4 Sn 0.15383006097040 0.15383006097040 0.15383006097040 118.710 5 O 0.55598584964210 0.21325200819584 0.96223429920555 15.999 6 O 0.78674799180416 0.03776570079445 0.44401415035790 15.999 7 O 0.03776570079445 0.44401415035790 0.78674799180416 15.999 8 O 0.96223429920555 0.55598584964211 0.21325200819584 15.999 9 O 0.21325200819584 0.96223429920555 0.55598584964210 15.999 10 O 0.44401415035790 0.78674799180416 0.03776570079445 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.984668818049133 0.000000000000000 0.000000000000000 b -5.492334409024566 9.513002248589332 0.000000000000000 c 0.000000000000000 0.000000000000000 14.995035570000001 Atomic positions (fractional): 1 Cd 0.33333333333333 0.16666666666667 0.96710053942117 112.411 > 1 2 Cd 0.83333333333333 0.16666666666667 0.96710053942117 112.411 > 1 3 Cd 0.33333333333333 0.66666666666667 0.96710053942117 112.411 > 1 4 Cd 0.83333333333333 0.66666666666667 0.96710053942117 112.411 > 1 5 Cd 0.33333333333333 0.16666666666667 0.69956612724550 112.411 > 5 6 Cd 0.83333333333333 0.16666666666667 0.69956612724550 112.411 > 5 7 Cd 0.33333333333333 0.66666666666667 0.69956612724550 112.411 > 5 8 Cd 0.83333333333333 0.66666666666667 0.69956612724550 112.411 > 5 9 Cd 0.16666666666667 0.33333333333333 0.30043387275450 112.411 > 1 10 Cd 0.66666666666667 0.33333333333333 0.30043387275450 112.411 > 1 11 Cd 0.16666666666667 0.83333333333333 0.30043387275450 112.411 > 1 12 Cd 0.66666666666667 0.83333333333333 0.30043387275450 112.411 > 1 13 Cd 0.16666666666667 0.33333333333333 0.03289946057883 112.411 > 5 14 Cd 0.66666666666667 0.33333333333333 0.03289946057883 112.411 > 5 15 Cd 0.16666666666667 0.83333333333333 0.03289946057883 112.411 > 5 16 Cd 0.66666666666667 0.83333333333333 0.03289946057883 112.411 > 5 17 Cd 0.00000000000000 0.00000000000000 0.63376720608783 112.411 > 1 18 Cd 0.50000000000000 0.00000000000000 0.63376720608783 112.411 > 1 19 Cd 0.00000000000000 0.50000000000000 0.63376720608783 112.411 > 1 20 Cd 0.50000000000000 0.50000000000000 0.63376720608783 112.411 > 1 21 Cd 0.00000000000000 0.00000000000000 0.36623279391216 112.411 > 5 22 Cd 0.50000000000000 0.00000000000000 0.36623279391216 112.411 > 5 23 Cd 0.00000000000000 0.50000000000000 0.36623279391216 112.411 > 5 24 Cd 0.50000000000000 0.50000000000000 0.36623279391216 112.411 > 5 25 Sn 0.00000000000000 0.00000000000000 0.84616993902960 118.710 > 25 26 Sn 0.50000000000000 0.00000000000000 0.84616993902960 118.710 > 25 27 Sn 0.00000000000000 0.50000000000000 0.84616993902960 118.710 > 25 28 Sn 0.50000000000000 0.50000000000000 0.84616993902960 118.710 > 25 29 Sn 0.16666666666667 0.33333333333333 0.82049672763707 118.710 > 29 30 Sn 0.66666666666667 0.33333333333333 0.82049672763707 118.710 > 29 31 Sn 0.16666666666667 0.83333333333333 0.82049672763707 118.710 > 29 32 Sn 0.66666666666667 0.83333333333333 0.82049672763707 118.710 > 29 33 Sn 0.33333333333333 0.16666666666667 0.17950327236293 118.710 > 25 34 Sn 0.83333333333333 0.16666666666667 0.17950327236293 118.710 > 25 35 Sn 0.33333333333333 0.66666666666667 0.17950327236293 118.710 > 25 36 Sn 0.83333333333333 0.66666666666667 0.17950327236293 118.710 > 25 37 Sn 0.00000000000000 0.00000000000000 0.15383006097040 118.710 > 29 38 Sn 0.50000000000000 0.00000000000000 0.15383006097040 118.710 > 29 39 Sn 0.00000000000000 0.50000000000000 0.15383006097040 118.710 > 29 40 Sn 0.50000000000000 0.50000000000000 0.15383006097040 118.710 > 29 41 Sn 0.16666666666667 0.33333333333333 0.51283660569626 118.710 > 25 42 Sn 0.66666666666667 0.33333333333333 0.51283660569626 118.710 > 25 43 Sn 0.16666666666667 0.83333333333333 0.51283660569626 118.710 > 25 44 Sn 0.66666666666667 0.83333333333333 0.51283660569626 118.710 > 25 45 Sn 0.33333333333333 0.16666666666667 0.48716339430374 118.710 > 29 46 Sn 0.83333333333333 0.16666666666667 0.48716339430374 118.710 > 29 47 Sn 0.33333333333333 0.66666666666667 0.48716339430374 118.710 > 29 48 Sn 0.83333333333333 0.66666666666667 0.48716339430374 118.710 > 29 49 O 0.32274756531380 0.47412820990447 0.91049071901450 15.999 > 49 50 O 0.82274756531380 0.47412820990447 0.91049071901450 15.999 > 49 51 O 0.32274756531380 0.97412820990447 0.91049071901450 15.999 > 49 52 O 0.82274756531380 0.97412820990447 0.91049071901450 15.999 > 49 53 O 0.01528602207600 0.15608089864714 0.75617594765217 15.999 > 53 54 O 0.51528602207600 0.15608089864714 0.75617594765217 15.999 > 53 55 O 0.01528602207600 0.65608089864714 0.75617594765217 15.999 > 53 56 O 0.51528602207600 0.65608089864714 0.75617594765217 15.999 > 53 57 O 0.14079487657114 0.48471397792400 0.75617594765217 15.999 > 57 58 O 0.64079487657114 0.48471397792400 0.75617594765217 15.999 > 57 59 O 0.14079487657114 0.98471397792400 0.75617594765217 15.999 > 57 60 O 0.64079487657114 0.98471397792400 0.75617594765217 15.999 > 57 61 O 0.02587179009553 0.34861935540933 0.91049071901450 15.999 > 61 62 O 0.52587179009553 0.34861935540933 0.91049071901450 15.999 > 61 63 O 0.02587179009553 0.84861935540933 0.91049071901450 15.999 > 61 64 O 0.52587179009553 0.84861935540933 0.91049071901450 15.999 > 61 65 O 0.15138064459067 0.17725243468620 0.91049071901450 15.999 > 65 66 O 0.65138064459067 0.17725243468620 0.91049071901450 15.999 > 65 67 O 0.15138064459067 0.67725243468620 0.91049071901450 15.999 > 65 68 O 0.65138064459067 0.67725243468620 0.91049071901450 15.999 > 65 69 O 0.34391910135286 0.35920512342886 0.75617594765217 15.999 > 69 70 O 0.84391910135286 0.35920512342886 0.75617594765217 15.999 > 69 71 O 0.34391910135286 0.85920512342886 0.75617594765217 15.999 > 69 72 O 0.84391910135286 0.85920512342886 0.75617594765217 15.999 > 69 73 O 0.15608089864714 0.14079487657114 0.24382405234783 15.999 > 49 74 O 0.65608089864714 0.14079487657114 0.24382405234783 15.999 > 49 75 O 0.15608089864714 0.64079487657114 0.24382405234783 15.999 > 49 76 O 0.65608089864714 0.64079487657114 0.24382405234783 15.999 > 49 77 O 0.34861935540933 0.32274756531380 0.08950928098550 15.999 > 53 78 O 0.84861935540933 0.32274756531380 0.08950928098550 15.999 > 53 79 O 0.34861935540933 0.82274756531380 0.08950928098550 15.999 > 53 80 O 0.84861935540933 0.82274756531380 0.08950928098550 15.999 > 53 81 O 0.47412820990447 0.15138064459067 0.08950928098550 15.999 > 57 82 O 0.97412820990447 0.15138064459067 0.08950928098550 15.999 > 57 83 O 0.47412820990447 0.65138064459067 0.08950928098550 15.999 > 57 84 O 0.97412820990447 0.65138064459067 0.08950928098550 15.999 > 57 85 O 0.35920512342886 0.01528602207600 0.24382405234783 15.999 > 61 86 O 0.85920512342886 0.01528602207600 0.24382405234783 15.999 > 61 87 O 0.35920512342886 0.51528602207600 0.24382405234783 15.999 > 61 88 O 0.85920512342886 0.51528602207600 0.24382405234783 15.999 > 61 89 O 0.48471397792400 0.34391910135286 0.24382405234783 15.999 > 65 90 O 0.98471397792400 0.34391910135286 0.24382405234783 15.999 > 65 91 O 0.48471397792400 0.84391910135286 0.24382405234783 15.999 > 65 92 O 0.98471397792400 0.84391910135286 0.24382405234783 15.999 > 65 93 O 0.17725243468620 0.02587179009553 0.08950928098550 15.999 > 69 94 O 0.67725243468620 0.02587179009553 0.08950928098550 15.999 > 69 95 O 0.17725243468620 0.52587179009553 0.08950928098550 15.999 > 69 96 O 0.67725243468620 0.52587179009553 0.08950928098550 15.999 > 69 97 O 0.48941423198047 0.30746154323781 0.57715738568117 15.999 > 49 98 O 0.98941423198047 0.30746154323781 0.57715738568117 15.999 > 49 99 O 0.48941423198047 0.80746154323781 0.57715738568117 15.999 > 49 100 O 0.98941423198047 0.80746154323781 0.57715738568117 15.999 > 49 101 O 0.18195268874266 0.48941423198047 0.42284261431883 15.999 > 53 102 O 0.68195268874266 0.48941423198047 0.42284261431883 15.999 > 53 103 O 0.18195268874266 0.98941423198047 0.42284261431883 15.999 > 53 104 O 0.68195268874266 0.98941423198047 0.42284261431883 15.999 > 53 105 O 0.30746154323781 0.31804731125734 0.42284261431883 15.999 > 57 106 O 0.80746154323781 0.31804731125734 0.42284261431883 15.999 > 57 107 O 0.30746154323781 0.81804731125734 0.42284261431883 15.999 > 57 108 O 0.80746154323781 0.81804731125734 0.42284261431883 15.999 > 57 109 O 0.19253845676219 0.18195268874266 0.57715738568117 15.999 > 61 110 O 0.69253845676219 0.18195268874266 0.57715738568117 15.999 > 61 111 O 0.19253845676219 0.68195268874266 0.57715738568117 15.999 > 61 112 O 0.69253845676219 0.68195268874266 0.57715738568117 15.999 > 61 113 O 0.31804731125734 0.01058576801953 0.57715738568117 15.999 > 65 114 O 0.81804731125734 0.01058576801953 0.57715738568117 15.999 > 65 115 O 0.31804731125734 0.51058576801953 0.57715738568117 15.999 > 65 116 O 0.81804731125734 0.51058576801953 0.57715738568117 15.999 > 65 117 O 0.01058576801953 0.19253845676219 0.42284261431883 15.999 > 69 118 O 0.51058576801953 0.19253845676219 0.42284261431883 15.999 > 69 119 O 0.01058576801953 0.69253845676219 0.42284261431883 15.999 > 69 120 O 0.51058576801953 0.69253845676219 0.42284261431883 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2061705 0.0000001 0.0000000 -0.0000001 5.2061705 0.0000000 0.0000000 0.0000000 4.8494373 -------------------------- Born effective charges -------------------------- 1 Cd 2.4837276 0.0255668 0.0000000 -0.0255668 2.4837276 0.0000000 0.0000000 0.0000000 2.6429852 2 Cd 2.4837276 0.0255668 0.0000000 -0.0255668 2.4837276 0.0000000 0.0000000 0.0000000 2.6429852 3 Sn 4.1288427 -0.0261531 0.0000000 0.0261531 4.1288427 0.0000000 0.0000000 0.0000000 3.4076223 4 Sn 4.1288427 -0.0261531 0.0000000 0.0261531 4.1288427 0.0000000 0.0000000 0.0000000 3.4076223 5 O -2.3025893 -0.2372578 0.3006911 -0.2376486 -2.1057909 -0.2845981 0.4142469 -0.2732869 -2.0168691 6 O -1.9493500 0.0337058 -0.3968147 0.0333150 -2.4590302 -0.1181071 -0.4437969 -0.2221049 -2.0168691 7 O -2.3606310 0.2041382 0.0961236 0.2037474 -2.0477492 0.4027052 0.0295499 0.4953918 -2.0168691 8 O -2.3606310 0.2041382 0.0961236 0.2037474 -2.0477492 0.4027052 0.0295499 0.4953918 -2.0168691 9 O -1.9493500 0.0337058 -0.3968147 0.0333150 -2.4590302 -0.1181071 -0.4437969 -0.2221049 -2.0168691 10 O -2.3025893 -0.2372578 0.3006911 -0.2376486 -2.1057909 -0.2845981 0.4142469 -0.2732869 -2.0168691 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, 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: -0.00000002 (yzy) -0.00000002 (yzy) -0.00000002 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xy) -0.00000003 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:23:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:23:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 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 2.746167204512286 1.585500374764887 4.998345189999995 b -2.746167204512280 1.585500374764887 4.998345189999995 c -0.000000000000000 -3.171000749529774 4.998345189999995 Atomic positions (fractional): 1 Cd 0.63376720608784 0.63376720608784 0.63376720608784 112.411 2 Cd 0.36623279391216 0.36623279391216 0.36623279391216 112.411 3 Sn 0.84616993902960 0.84616993902960 0.84616993902960 118.710 4 Sn 0.15383006097040 0.15383006097040 0.15383006097040 118.710 5 O 0.55598584964210 0.21325200819584 0.96223429920555 15.999 6 O 0.78674799180416 0.03776570079445 0.44401415035790 15.999 7 O 0.03776570079445 0.44401415035790 0.78674799180416 15.999 8 O 0.96223429920555 0.55598584964211 0.21325200819584 15.999 9 O 0.21325200819584 0.96223429920555 0.55598584964210 15.999 10 O 0.44401415035790 0.78674799180416 0.03776570079445 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.984668818049133 0.000000000000000 0.000000000000000 b -5.492334409024566 9.513002248589332 0.000000000000000 c 0.000000000000000 0.000000000000000 14.995035570000001 Atomic positions (fractional): 1 Cd 0.33333333333333 0.16666666666667 0.96710053942117 112.411 > 1 2 Cd 0.83333333333333 0.16666666666667 0.96710053942117 112.411 > 1 3 Cd 0.33333333333333 0.66666666666667 0.96710053942117 112.411 > 1 4 Cd 0.83333333333333 0.66666666666667 0.96710053942117 112.411 > 1 5 Cd 0.33333333333333 0.16666666666667 0.69956612724550 112.411 > 5 6 Cd 0.83333333333333 0.16666666666667 0.69956612724550 112.411 > 5 7 Cd 0.33333333333333 0.66666666666667 0.69956612724550 112.411 > 5 8 Cd 0.83333333333333 0.66666666666667 0.69956612724550 112.411 > 5 9 Cd 0.16666666666667 0.33333333333333 0.30043387275450 112.411 > 1 10 Cd 0.66666666666667 0.33333333333333 0.30043387275450 112.411 > 1 11 Cd 0.16666666666667 0.83333333333333 0.30043387275450 112.411 > 1 12 Cd 0.66666666666667 0.83333333333333 0.30043387275450 112.411 > 1 13 Cd 0.16666666666667 0.33333333333333 0.03289946057883 112.411 > 5 14 Cd 0.66666666666667 0.33333333333333 0.03289946057883 112.411 > 5 15 Cd 0.16666666666667 0.83333333333333 0.03289946057883 112.411 > 5 16 Cd 0.66666666666667 0.83333333333333 0.03289946057883 112.411 > 5 17 Cd 0.00000000000000 0.00000000000000 0.63376720608783 112.411 > 1 18 Cd 0.50000000000000 0.00000000000000 0.63376720608783 112.411 > 1 19 Cd 0.00000000000000 0.50000000000000 0.63376720608783 112.411 > 1 20 Cd 0.50000000000000 0.50000000000000 0.63376720608783 112.411 > 1 21 Cd 0.00000000000000 0.00000000000000 0.36623279391216 112.411 > 5 22 Cd 0.50000000000000 0.00000000000000 0.36623279391216 112.411 > 5 23 Cd 0.00000000000000 0.50000000000000 0.36623279391216 112.411 > 5 24 Cd 0.50000000000000 0.50000000000000 0.36623279391216 112.411 > 5 25 Sn 0.00000000000000 0.00000000000000 0.84616993902960 118.710 > 25 26 Sn 0.50000000000000 0.00000000000000 0.84616993902960 118.710 > 25 27 Sn 0.00000000000000 0.50000000000000 0.84616993902960 118.710 > 25 28 Sn 0.50000000000000 0.50000000000000 0.84616993902960 118.710 > 25 29 Sn 0.16666666666667 0.33333333333333 0.82049672763707 118.710 > 29 30 Sn 0.66666666666667 0.33333333333333 0.82049672763707 118.710 > 29 31 Sn 0.16666666666667 0.83333333333333 0.82049672763707 118.710 > 29 32 Sn 0.66666666666667 0.83333333333333 0.82049672763707 118.710 > 29 33 Sn 0.33333333333333 0.16666666666667 0.17950327236293 118.710 > 25 34 Sn 0.83333333333333 0.16666666666667 0.17950327236293 118.710 > 25 35 Sn 0.33333333333333 0.66666666666667 0.17950327236293 118.710 > 25 36 Sn 0.83333333333333 0.66666666666667 0.17950327236293 118.710 > 25 37 Sn 0.00000000000000 0.00000000000000 0.15383006097040 118.710 > 29 38 Sn 0.50000000000000 0.00000000000000 0.15383006097040 118.710 > 29 39 Sn 0.00000000000000 0.50000000000000 0.15383006097040 118.710 > 29 40 Sn 0.50000000000000 0.50000000000000 0.15383006097040 118.710 > 29 41 Sn 0.16666666666667 0.33333333333333 0.51283660569626 118.710 > 25 42 Sn 0.66666666666667 0.33333333333333 0.51283660569626 118.710 > 25 43 Sn 0.16666666666667 0.83333333333333 0.51283660569626 118.710 > 25 44 Sn 0.66666666666667 0.83333333333333 0.51283660569626 118.710 > 25 45 Sn 0.33333333333333 0.16666666666667 0.48716339430374 118.710 > 29 46 Sn 0.83333333333333 0.16666666666667 0.48716339430374 118.710 > 29 47 Sn 0.33333333333333 0.66666666666667 0.48716339430374 118.710 > 29 48 Sn 0.83333333333333 0.66666666666667 0.48716339430374 118.710 > 29 49 O 0.32274756531380 0.47412820990447 0.91049071901450 15.999 > 49 50 O 0.82274756531380 0.47412820990447 0.91049071901450 15.999 > 49 51 O 0.32274756531380 0.97412820990447 0.91049071901450 15.999 > 49 52 O 0.82274756531380 0.97412820990447 0.91049071901450 15.999 > 49 53 O 0.01528602207600 0.15608089864714 0.75617594765217 15.999 > 53 54 O 0.51528602207600 0.15608089864714 0.75617594765217 15.999 > 53 55 O 0.01528602207600 0.65608089864714 0.75617594765217 15.999 > 53 56 O 0.51528602207600 0.65608089864714 0.75617594765217 15.999 > 53 57 O 0.14079487657114 0.48471397792400 0.75617594765217 15.999 > 57 58 O 0.64079487657114 0.48471397792400 0.75617594765217 15.999 > 57 59 O 0.14079487657114 0.98471397792400 0.75617594765217 15.999 > 57 60 O 0.64079487657114 0.98471397792400 0.75617594765217 15.999 > 57 61 O 0.02587179009553 0.34861935540933 0.91049071901450 15.999 > 61 62 O 0.52587179009553 0.34861935540933 0.91049071901450 15.999 > 61 63 O 0.02587179009553 0.84861935540933 0.91049071901450 15.999 > 61 64 O 0.52587179009553 0.84861935540933 0.91049071901450 15.999 > 61 65 O 0.15138064459067 0.17725243468620 0.91049071901450 15.999 > 65 66 O 0.65138064459067 0.17725243468620 0.91049071901450 15.999 > 65 67 O 0.15138064459067 0.67725243468620 0.91049071901450 15.999 > 65 68 O 0.65138064459067 0.67725243468620 0.91049071901450 15.999 > 65 69 O 0.34391910135286 0.35920512342886 0.75617594765217 15.999 > 69 70 O 0.84391910135286 0.35920512342886 0.75617594765217 15.999 > 69 71 O 0.34391910135286 0.85920512342886 0.75617594765217 15.999 > 69 72 O 0.84391910135286 0.85920512342886 0.75617594765217 15.999 > 69 73 O 0.15608089864714 0.14079487657114 0.24382405234783 15.999 > 49 74 O 0.65608089864714 0.14079487657114 0.24382405234783 15.999 > 49 75 O 0.15608089864714 0.64079487657114 0.24382405234783 15.999 > 49 76 O 0.65608089864714 0.64079487657114 0.24382405234783 15.999 > 49 77 O 0.34861935540933 0.32274756531380 0.08950928098550 15.999 > 53 78 O 0.84861935540933 0.32274756531380 0.08950928098550 15.999 > 53 79 O 0.34861935540933 0.82274756531380 0.08950928098550 15.999 > 53 80 O 0.84861935540933 0.82274756531380 0.08950928098550 15.999 > 53 81 O 0.47412820990447 0.15138064459067 0.08950928098550 15.999 > 57 82 O 0.97412820990447 0.15138064459067 0.08950928098550 15.999 > 57 83 O 0.47412820990447 0.65138064459067 0.08950928098550 15.999 > 57 84 O 0.97412820990447 0.65138064459067 0.08950928098550 15.999 > 57 85 O 0.35920512342886 0.01528602207600 0.24382405234783 15.999 > 61 86 O 0.85920512342886 0.01528602207600 0.24382405234783 15.999 > 61 87 O 0.35920512342886 0.51528602207600 0.24382405234783 15.999 > 61 88 O 0.85920512342886 0.51528602207600 0.24382405234783 15.999 > 61 89 O 0.48471397792400 0.34391910135286 0.24382405234783 15.999 > 65 90 O 0.98471397792400 0.34391910135286 0.24382405234783 15.999 > 65 91 O 0.48471397792400 0.84391910135286 0.24382405234783 15.999 > 65 92 O 0.98471397792400 0.84391910135286 0.24382405234783 15.999 > 65 93 O 0.17725243468620 0.02587179009553 0.08950928098550 15.999 > 69 94 O 0.67725243468620 0.02587179009553 0.08950928098550 15.999 > 69 95 O 0.17725243468620 0.52587179009553 0.08950928098550 15.999 > 69 96 O 0.67725243468620 0.52587179009553 0.08950928098550 15.999 > 69 97 O 0.48941423198047 0.30746154323781 0.57715738568117 15.999 > 49 98 O 0.98941423198047 0.30746154323781 0.57715738568117 15.999 > 49 99 O 0.48941423198047 0.80746154323781 0.57715738568117 15.999 > 49 100 O 0.98941423198047 0.80746154323781 0.57715738568117 15.999 > 49 101 O 0.18195268874266 0.48941423198047 0.42284261431883 15.999 > 53 102 O 0.68195268874266 0.48941423198047 0.42284261431883 15.999 > 53 103 O 0.18195268874266 0.98941423198047 0.42284261431883 15.999 > 53 104 O 0.68195268874266 0.98941423198047 0.42284261431883 15.999 > 53 105 O 0.30746154323781 0.31804731125734 0.42284261431883 15.999 > 57 106 O 0.80746154323781 0.31804731125734 0.42284261431883 15.999 > 57 107 O 0.30746154323781 0.81804731125734 0.42284261431883 15.999 > 57 108 O 0.80746154323781 0.81804731125734 0.42284261431883 15.999 > 57 109 O 0.19253845676219 0.18195268874266 0.57715738568117 15.999 > 61 110 O 0.69253845676219 0.18195268874266 0.57715738568117 15.999 > 61 111 O 0.19253845676219 0.68195268874266 0.57715738568117 15.999 > 61 112 O 0.69253845676219 0.68195268874266 0.57715738568117 15.999 > 61 113 O 0.31804731125734 0.01058576801953 0.57715738568117 15.999 > 65 114 O 0.81804731125734 0.01058576801953 0.57715738568117 15.999 > 65 115 O 0.31804731125734 0.51058576801953 0.57715738568117 15.999 > 65 116 O 0.81804731125734 0.51058576801953 0.57715738568117 15.999 > 65 117 O 0.01058576801953 0.19253845676219 0.42284261431883 15.999 > 69 118 O 0.51058576801953 0.19253845676219 0.42284261431883 15.999 > 69 119 O 0.01058576801953 0.69253845676219 0.42284261431883 15.999 > 69 120 O 0.51058576801953 0.69253845676219 0.42284261431883 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2061705 0.0000001 0.0000000 -0.0000001 5.2061705 0.0000000 0.0000000 0.0000000 4.8494373 -------------------------- Born effective charges -------------------------- 1 Cd 2.4837276 0.0255668 0.0000000 -0.0255668 2.4837276 0.0000000 0.0000000 0.0000000 2.6429852 2 Cd 2.4837276 0.0255668 0.0000000 -0.0255668 2.4837276 0.0000000 0.0000000 0.0000000 2.6429852 3 Sn 4.1288427 -0.0261531 0.0000000 0.0261531 4.1288427 0.0000000 0.0000000 0.0000000 3.4076223 4 Sn 4.1288427 -0.0261531 0.0000000 0.0261531 4.1288427 0.0000000 0.0000000 0.0000000 3.4076223 5 O -2.3025893 -0.2372578 0.3006911 -0.2376486 -2.1057909 -0.2845981 0.4142469 -0.2732869 -2.0168691 6 O -1.9493500 0.0337058 -0.3968147 0.0333150 -2.4590302 -0.1181071 -0.4437969 -0.2221049 -2.0168691 7 O -2.3606310 0.2041382 0.0961236 0.2037474 -2.0477492 0.4027052 0.0295499 0.4953918 -2.0168691 8 O -2.3606310 0.2041382 0.0961236 0.2037474 -2.0477492 0.4027052 0.0295499 0.4953918 -2.0168691 9 O -1.9493500 0.0337058 -0.3968147 0.0333150 -2.4590302 -0.1181071 -0.4437969 -0.2221049 -2.0168691 10 O -2.3025893 -0.2372578 0.3006911 -0.2376486 -2.1057909 -0.2845981 0.4142469 -0.2732869 -2.0168691 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yzy) -0.00000002 (yzy) -0.00000002 (yyz) 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 ... [ 11 11 11 ] 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: 0.82, Number of G-points: 297, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 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 3.122 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 6.653 ( 0.000 0.000 0.000) 0.000 6.653 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.616 ( 0.000 0.000 0.000) 0.000 8.616 ( 0.000 0.000 0.000) 0.000 9.477 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 12.190 ( 0.000 0.000 0.000) 0.000 12.190 ( 0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 13.959 ( 0.000 0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 15.625 ( 0.000 0.000 0.000) 0.000 17.056 ( 0.000 0.000 0.000) 0.000 17.478 ( 0.000 0.000 0.000) 0.000 17.478 ( 0.000 0.000 0.000) 0.000 17.884 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 16.469 8.667 15.940) 24.503 0.576 ( 23.118 18.990 0.414) 29.921 1.181 ( 50.980 26.925 10.348) 58.574 3.058 ( -4.953 -2.797 -2.792) 6.336 3.811 ( -7.904 -7.137 -5.827) 12.139 3.917 ( -2.614 -3.183 2.321) 4.727 4.244 ( -8.257 -2.771 -4.800) 9.945 4.496 ( 3.641 1.976 2.577) 4.878 4.658 ( 0.072 0.791 5.777) 5.831 4.724 ( -5.819 -3.610 23.591) 24.565 6.672 ( 1.844 1.041 -0.830) 2.275 6.698 ( 2.934 2.592 2.007) 4.399 7.970 ( -3.567 -2.903 -0.028) 4.600 8.014 ( -0.616 0.287 0.485) 0.835 8.656 ( 4.437 2.613 -3.331) 6.133 9.311 ( 7.007 3.778 -25.166) 26.395 9.686 ( -9.442 -6.035 26.046) 28.354 9.890 ( -1.414 -0.827 2.935) 3.361 12.223 ( 4.519 -1.416 0.489) 4.761 12.298 ( 7.212 8.236 1.663) 11.073 13.006 ( 1.176 3.472 -3.069) 4.781 13.794 ( 5.401 0.587 -26.816) 27.361 14.213 ( -8.622 -3.382 16.900) 19.271 14.481 ( -1.224 -1.760 3.624) 4.211 15.635 ( 0.485 0.345 0.558) 0.816 16.938 ( -4.059 0.874 -15.166) 15.724 17.482 ( -1.211 7.259 -6.116) 9.569 17.496 ( -0.031 0.798 4.968) 5.032 17.626 ( 5.755 -8.518 5.883) 11.844 17.880 ( -0.099 -0.077 -0.741) 0.752 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 17.190 8.421 13.829) 23.615 1.123 ( 21.041 17.882 0.227) 27.614 2.306 ( 46.877 24.258 10.091) 53.738 2.882 ( -8.820 -4.621 -3.959) 10.716 3.552 ( -8.428 -8.773 -5.596) 13.391 3.829 ( -7.442 -2.778 4.360) 9.061 4.040 ( -5.439 -6.808 -8.011) 11.837 4.523 ( -3.344 -6.291 2.124) 7.434 4.648 ( -4.083 4.009 14.914) 15.974 4.796 ( 2.606 2.803 -1.209) 4.013 6.716 ( 2.208 1.581 -1.300) 3.011 6.811 ( 4.926 3.594 2.946) 6.772 7.859 ( -5.553 -4.190 1.003) 7.029 8.007 ( -1.010 0.436 0.572) 1.240 8.761 ( 7.457 3.743 -5.728) 10.121 9.260 ( -3.397 -1.391 -6.101) 7.121 9.569 ( -9.124 -6.770 6.217) 12.951 9.952 ( 4.903 2.365 6.718) 8.647 12.315 ( 8.308 -2.662 1.177) 8.803 12.574 ( 10.164 13.653 3.145) 17.309 13.053 ( 2.054 6.517 -6.663) 9.544 13.708 ( 0.167 -4.620 -7.610) 8.904 14.074 ( -12.564 -3.579 8.159) 15.402 14.516 ( 3.722 -1.117 5.859) 7.031 15.638 ( -1.429 -0.459 1.625) 2.212 16.737 ( -9.653 -0.648 -12.423) 15.746 17.502 ( -0.203 7.172 -6.458) 9.653 17.554 ( 1.435 2.185 5.216) 5.834 17.670 ( 6.060 -9.803 4.135) 12.245 17.871 ( -0.055 -0.138 -1.586) 1.593 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 17.428 7.895 11.088) 22.114 1.601 ( 16.886 15.611 -0.416) 23.000 2.666 ( -8.544 -3.795 -2.605) 9.705 3.136 ( 9.811 -2.978 4.752) 11.301 3.463 ( 20.718 13.224 0.622) 24.586 3.661 ( -12.754 -0.590 2.537) 13.017 3.854 ( -1.013 -11.162 -7.458) 13.462 4.384 ( -3.542 -6.888 -1.540) 7.897 4.737 ( -3.730 8.935 11.775) 15.245 4.828 ( 1.686 0.138 -2.004) 2.622 6.731 ( -1.303 -0.512 -1.089) 1.773 6.955 ( 5.985 3.554 2.714) 7.471 7.742 ( -4.372 -3.472 1.922) 5.904 7.996 ( -1.157 0.462 0.333) 1.290 8.884 ( 7.004 3.390 -7.032) 10.488 9.116 ( -7.728 -2.887 -2.253) 8.551 9.364 ( -9.144 -7.681 3.009) 12.315 10.136 ( 7.703 3.399 6.264) 10.494 12.455 ( 10.744 -3.558 2.135) 11.517 12.859 ( 4.245 11.702 3.866) 13.034 13.109 ( 1.858 8.740 -10.262) 13.607 13.678 ( 5.773 -2.887 -0.879) 6.514 13.865 ( -13.907 -2.762 8.114) 16.336 14.636 ( 7.242 -0.800 5.223) 8.965 15.587 ( -5.267 -2.115 3.302) 6.566 16.476 ( -10.915 -1.623 -12.450) 16.637 17.530 ( -0.367 6.985 -5.192) 8.711 17.640 ( 2.714 2.043 4.265) 5.452 17.685 ( 4.332 -9.708 3.346) 11.145 17.857 ( 0.000 -0.034 -2.337) 2.337 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 16.086 7.155 7.900) 19.297 1.953 ( 10.537 10.912 -1.073) 15.207 2.528 ( -5.132 0.201 -0.315) 5.146 2.962 ( -7.716 -11.711 -1.135) 14.071 3.452 ( -9.566 -3.501 1.209) 10.258 3.667 ( -3.480 -9.349 -4.966) 11.144 4.086 ( 12.001 14.115 4.627) 19.096 4.323 ( 7.578 -4.825 -1.716) 9.147 4.777 ( 0.425 0.479 -3.687) 3.743 4.955 ( 6.979 12.586 9.475) 17.231 6.610 ( -9.249 -6.134 -0.898) 11.135 7.098 ( 5.369 2.974 1.825) 6.403 7.699 ( 0.352 -0.638 1.973) 2.104 7.983 ( -1.107 0.428 0.030) 1.187 8.926 ( -0.263 -0.092 -5.596) 5.603 8.938 ( -8.102 -3.364 -2.246) 9.055 9.225 ( -1.593 -3.263 2.390) 4.347 10.312 ( 5.736 2.181 4.215) 7.445 12.618 ( 10.799 -3.907 2.973) 11.863 12.941 ( -3.939 3.288 2.797) 5.844 13.156 ( 1.600 9.429 -11.975) 15.325 13.640 ( -10.838 -4.888 7.570) 14.095 13.895 ( 11.058 7.174 3.486) 13.634 14.791 ( 9.336 -0.730 2.241) 9.628 15.463 ( -9.348 -3.451 5.224) 11.251 16.216 ( -8.929 -1.999 -11.179) 14.446 17.561 ( -0.835 7.407 -4.099) 8.507 17.671 ( 2.630 -9.410 3.489) 10.375 17.725 ( 2.956 0.980 2.914) 4.265 17.842 ( -0.307 0.432 -2.653) 2.705 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 7.464 5.872 1.852) 9.676 2.171 ( 9.675 3.110 2.519) 10.470 2.425 ( -8.786 -0.377 -1.985) 9.015 2.767 ( -3.235 -5.523 -0.114) 6.402 3.326 ( -2.784 -1.645 0.787) 3.328 3.516 ( -2.571 -4.181 -2.779) 5.641 4.185 ( -0.483 1.402 0.324) 1.518 4.434 ( 1.734 0.927 1.764) 2.642 4.770 ( 1.436 -1.304 -2.003) 2.788 5.349 ( 13.372 11.783 3.962) 18.258 6.340 ( -10.583 -7.377 -1.033) 12.942 7.193 ( 2.251 1.238 0.657) 2.651 7.738 ( 1.739 0.546 1.000) 2.079 7.970 ( -0.636 0.208 -0.109) 0.678 8.789 ( -4.118 -1.800 -1.116) 4.630 8.863 ( -1.689 -1.160 -1.518) 2.550 9.234 ( 1.198 -0.021 0.324) 1.242 10.407 ( 1.985 0.644 1.445) 2.538 12.747 ( 5.602 -2.414 1.814) 6.364 12.904 ( -2.747 0.648 1.385) 3.144 13.192 ( 1.257 5.552 -8.284) 10.051 13.492 ( -5.967 -3.011 5.899) 8.915 14.139 ( 6.078 4.587 2.006) 7.875 14.938 ( 7.443 -0.219 -1.578) 7.612 15.304 ( -8.108 -2.281 4.573) 9.585 16.039 ( -3.625 -1.025 -5.093) 6.335 17.594 ( -1.065 7.139 -3.005) 7.819 17.640 ( 1.565 -7.853 2.784) 8.477 17.787 ( 2.095 -0.402 2.618) 3.377 17.822 ( -1.059 0.888 -2.590) 2.935 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -0.021 17.472 22.772) 28.703 0.674 ( 7.752 27.547 11.178) 30.723 1.199 ( -4.460 52.518 14.062) 54.551 3.041 ( 0.238 -5.975 -3.158) 6.762 3.746 ( -2.241 -9.702 -11.406) 15.141 3.910 ( -3.440 -4.467 1.090) 5.743 4.328 ( 8.085 -6.524 2.382) 10.659 4.410 ( -6.831 0.996 -2.970) 7.515 4.700 ( 2.385 9.106 1.267) 9.498 4.923 ( -0.678 -27.658 36.261) 45.610 6.673 ( 1.507 2.591 -0.643) 3.066 6.691 ( -0.219 2.802 1.275) 3.086 7.979 ( 0.384 -4.132 0.847) 4.236 8.017 ( -0.790 0.266 0.811) 1.163 8.726 ( 0.425 7.640 3.989) 8.629 9.093 ( -0.671 13.181 -26.023) 29.179 9.795 ( -0.728 -16.167 13.782) 21.257 9.905 ( -0.155 -5.756 6.921) 9.003 12.200 ( -3.631 1.717 -1.085) 4.160 12.300 ( 3.690 10.413 1.450) 11.142 13.077 ( 4.859 6.192 3.995) 8.827 13.666 ( -3.740 20.003 -26.367) 33.307 14.307 ( 2.588 -14.403 14.706) 20.747 14.477 ( -2.500 -2.319 4.214) 5.421 15.640 ( 0.101 0.727 0.990) 1.232 16.871 ( 3.892 4.525 -17.795) 18.769 17.313 ( 3.245 -9.656 -3.584) 10.799 17.511 ( -0.642 3.727 -1.066) 3.929 17.743 ( -6.338 2.958 6.932) 9.848 17.876 ( 0.011 -0.055 -1.020) 1.021 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 4.357 15.024 21.350) 26.467 1.135 ( 9.120 26.702 8.668) 29.518 2.014 ( 30.024 41.231 11.071) 52.192 2.918 ( -4.720 -7.062 -3.182) 9.071 3.520 ( -4.067 -10.012 -12.232) 16.322 3.791 ( -2.549 -8.940 0.554) 9.313 4.165 ( -12.672 -3.204 -2.162) 13.248 4.434 ( 4.923 -7.428 -2.695) 9.310 4.809 ( -3.759 -9.082 14.393) 17.429 4.843 ( -0.186 6.355 8.421) 10.552 6.702 ( 0.664 2.646 -0.175) 2.733 6.793 ( 4.737 4.036 1.761) 6.468 7.905 ( -4.247 -4.267 2.046) 6.359 8.029 ( 0.073 0.243 1.657) 1.676 8.756 ( -3.339 9.321 -2.327) 10.171 9.173 ( 7.451 1.593 -9.945) 12.528 9.644 ( -6.372 -12.852 5.674) 15.426 9.911 ( 3.604 -3.047 3.864) 6.100 12.190 ( 2.417 0.396 -2.302) 3.362 12.573 ( 10.667 15.483 3.633) 19.149 13.189 ( -4.350 11.380 6.169) 13.656 13.646 ( -1.509 6.698 -12.711) 14.447 14.225 ( -5.332 -13.051 12.425) 18.792 14.476 ( 1.536 -1.046 3.984) 4.396 15.658 ( 0.013 0.049 2.177) 2.178 16.792 ( -5.320 -0.114 -13.248) 14.277 17.345 ( 13.125 -9.364 -7.572) 17.812 17.537 ( -0.076 5.105 -2.562) 5.712 17.688 ( -5.926 1.088 8.009) 10.022 17.867 ( -0.266 0.179 -1.373) 1.410 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 8.439 12.151 17.098) 22.610 1.585 ( 10.376 24.164 4.502) 26.680 2.720 ( -4.576 -5.265 -2.538) 7.424 2.931 ( 24.073 19.230 9.731) 32.311 3.330 ( 2.477 -0.894 -8.798) 9.183 3.669 ( 0.269 -12.068 -2.207) 12.272 3.902 ( -13.158 -1.693 -3.062) 13.615 4.340 ( -1.949 -10.169 -3.682) 10.989 4.800 ( 1.007 -2.589 4.492) 5.282 4.939 ( -2.371 6.524 10.356) 12.467 6.736 ( 0.371 1.744 -0.704) 1.917 6.920 ( 4.685 3.524 2.259) 6.283 7.802 ( -5.159 -3.372 3.187) 6.938 8.032 ( -1.431 0.403 2.174) 2.634 8.807 ( 2.455 7.072 -5.430) 9.248 9.165 ( -2.552 -2.538 -3.213) 4.825 9.428 ( -7.710 -11.851 2.315) 14.327 10.029 ( 9.712 -0.285 1.472) 9.827 12.255 ( 7.472 -1.318 -2.276) 7.921 12.930 ( 8.770 16.026 3.427) 18.588 13.248 ( -6.923 13.974 4.351) 16.191 13.606 ( -0.138 1.844 -3.473) 3.934 14.065 ( -8.640 -10.527 12.546) 18.516 14.548 ( 4.792 -0.140 3.107) 5.712 15.653 ( -2.278 -1.730 4.226) 5.102 16.564 ( -10.394 -1.400 -13.921) 17.430 17.424 ( 11.881 -8.741 -7.616) 16.600 17.573 ( 0.186 5.471 -2.943) 6.215 17.680 ( -1.318 -0.752 7.806) 7.952 17.856 ( -0.442 0.582 -1.514) 1.681 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 10.916 9.231 12.006) 18.669 1.966 ( 6.987 20.170 1.157) 21.377 2.588 ( -3.468 -2.324 0.364) 4.191 2.969 ( -6.831 -10.487 -1.004) 12.556 3.535 ( 1.851 -10.081 -8.776) 13.494 3.550 ( -5.153 -8.500 2.570) 10.267 3.966 ( 20.285 22.611 3.300) 30.555 4.190 ( -0.909 -8.659 -5.002) 10.041 4.781 ( -1.960 -1.618 -3.200) 4.086 5.068 ( 1.745 9.284 13.113) 16.161 6.694 ( -6.086 -2.219 -0.674) 6.513 7.042 ( 5.354 1.440 2.405) 6.044 7.734 ( -2.878 0.359 3.061) 4.217 8.018 ( -2.035 0.215 2.026) 2.879 8.865 ( 1.460 1.375 -5.766) 6.105 9.039 ( -6.602 -1.751 -2.654) 7.328 9.236 ( -3.877 -7.978 2.818) 9.307 10.200 ( 9.965 -0.166 -0.990) 10.015 12.376 ( 10.810 -3.178 -1.726) 11.399 13.096 ( -3.914 5.960 2.411) 7.527 13.275 ( -7.062 12.706 0.897) 14.565 13.705 ( 3.905 5.487 1.674) 6.940 13.944 ( -3.653 -2.306 14.300) 14.938 14.655 ( 6.668 -0.411 0.794) 6.728 15.594 ( -5.976 -3.428 6.600) 9.541 16.285 ( -10.414 -1.108 -14.623) 17.986 17.472 ( 9.004 -9.364 -4.866) 13.872 17.609 ( -0.017 5.868 -3.255) 6.710 17.715 ( 1.482 -1.268 5.536) 5.869 17.847 ( -0.557 1.120 -1.324) 1.821 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 11.328 5.613 6.967) 14.435 2.193 ( 0.231 14.066 -0.284) 14.071 2.538 ( -5.409 -0.509 0.150) 5.435 2.765 ( -3.699 -6.952 0.545) 7.894 3.364 ( -5.339 -5.059 -0.686) 7.387 3.443 ( 2.409 -7.664 -3.214) 8.653 4.090 ( 2.382 -8.032 -5.239) 9.881 4.440 ( 9.990 9.493 3.658) 14.258 4.694 ( -0.629 -4.059 -3.656) 5.499 5.355 ( 8.510 16.755 7.795) 20.345 6.474 ( -13.542 -6.788 0.126) 15.149 7.143 ( 4.597 -1.266 2.236) 5.266 7.753 ( -0.005 4.225 1.557) 4.503 7.996 ( -1.932 -0.077 1.496) 2.445 8.777 ( -2.986 -6.678 -2.520) 7.738 8.928 ( -4.793 1.876 -2.484) 5.716 9.207 ( 2.136 -1.191 1.866) 3.077 10.323 ( 6.922 -1.008 -3.490) 7.818 12.515 ( 11.392 -5.295 -1.311) 12.631 13.043 ( -5.727 -0.145 4.823) 7.489 13.274 ( -6.523 13.265 -5.210) 15.674 13.659 ( -9.393 -3.893 10.560) 14.659 14.143 ( 5.834 9.826 7.334) 13.578 14.770 ( 9.029 -0.954 -1.831) 9.262 15.468 ( -9.855 -3.529 5.723) 11.930 16.064 ( -5.331 0.530 -10.328) 11.635 17.487 ( 6.312 -9.991 -1.198) 11.879 17.646 ( 0.263 6.687 -5.023) 8.368 17.762 ( 2.232 -1.576 3.663) 4.570 17.841 ( -0.996 1.434 -0.698) 1.880 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -3.654 -1.345 -0.062) 3.894 2.265 ( 0.307 4.268 0.815) 4.356 2.380 ( -6.896 -1.255 0.318) 7.016 2.763 ( 3.280 4.513 0.339) 5.590 3.296 ( 0.476 -1.529 -0.677) 1.738 3.474 ( 6.858 0.033 2.214) 7.206 4.038 ( 4.943 -9.117 -6.018) 11.990 4.498 ( -4.189 2.199 -3.038) 5.623 4.731 ( 6.394 -3.096 3.828) 8.070 5.529 ( -12.364 4.097 -0.952) 13.060 6.292 ( 1.592 2.037 2.765) 3.785 7.181 ( 1.184 -3.717 1.639) 4.231 7.785 ( -2.502 3.881 -0.797) 4.686 7.974 ( -1.114 -0.459 1.228) 1.720 8.710 ( 3.101 -3.962 0.829) 5.099 8.894 ( -0.760 3.556 -1.139) 3.811 9.241 ( 0.667 -0.206 1.235) 1.419 10.364 ( 2.794 -1.701 -5.554) 6.446 12.610 ( 7.813 -6.577 -2.907) 10.619 13.006 ( -2.315 -0.982 6.944) 7.386 13.256 ( -5.076 11.612 -7.074) 14.514 13.537 ( -8.216 -3.216 10.749) 13.906 14.232 ( -6.253 2.077 2.205) 6.948 14.936 ( 9.852 1.274 0.336) 9.939 15.285 ( -8.534 -1.362 -2.572) 9.017 16.024 ( 2.249 2.903 0.053) 3.673 17.483 ( 4.493 -9.630 1.762) 10.772 17.681 ( 0.608 6.674 -7.434) 10.009 17.791 ( 0.730 -2.543 2.252) 3.475 17.838 ( -0.938 2.396 0.808) 2.697 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -14.320 -6.630 -3.717) 16.212 2.127 ( -14.354 0.401 0.365) 14.365 2.428 ( 5.926 -1.174 1.466) 6.217 2.946 ( 8.136 10.756 1.361) 13.555 3.325 ( 5.376 -1.099 -2.030) 5.851 3.665 ( 8.792 5.341 4.074) 11.065 3.989 ( 3.475 -9.581 -5.947) 11.800 4.440 ( -1.841 1.726 -4.049) 4.771 4.815 ( 2.934 -1.721 5.502) 6.469 5.075 ( -29.059 -9.113 -4.198) 30.742 6.517 ( 10.884 7.639 1.477) 13.379 7.131 ( -3.035 -4.649 0.648) 5.590 7.736 ( -4.244 1.846 -1.829) 4.976 7.972 ( 0.240 -0.210 1.095) 1.141 8.809 ( 8.595 -0.360 3.067) 9.133 8.958 ( 3.510 4.781 0.234) 5.936 9.233 ( -1.502 -0.217 0.419) 1.574 10.312 ( -1.985 -2.694 -6.990) 7.750 12.606 ( 2.494 -5.836 -6.768) 9.278 13.010 ( -3.079 0.459 7.947) 8.535 13.242 ( -5.801 5.044 2.952) 8.235 13.491 ( 2.187 -0.973 0.915) 2.563 14.059 ( -13.361 -2.385 1.519) 13.657 14.934 ( -9.251 -0.504 -3.485) 9.899 15.297 ( 10.486 3.014 -3.561) 11.477 16.165 ( 7.223 4.104 6.708) 10.678 17.476 ( 3.348 -9.118 4.335) 10.637 17.691 ( -0.029 4.620 -10.711) 11.664 17.770 ( -1.588 -1.291 2.624) 3.328 17.866 ( -0.121 2.820 1.322) 3.117 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -18.907 -6.598 -5.377) 20.735 1.845 ( -20.141 -1.934 2.419) 20.378 2.554 ( 9.014 1.301 1.738) 9.271 3.201 ( 6.910 11.352 0.712) 13.309 3.400 ( 8.431 -8.892 -2.960) 12.606 3.720 ( -13.465 -4.187 -6.549) 15.547 3.947 ( 2.903 5.501 3.726) 7.251 4.425 ( -1.087 3.977 -0.605) 4.167 4.577 ( -9.364 -9.925 -7.514) 15.577 4.861 ( 0.275 -1.513 5.565) 5.774 6.707 ( 4.481 3.109 0.336) 5.464 7.014 ( -5.821 -3.713 -0.350) 6.913 7.708 ( 0.799 1.545 -1.142) 2.081 7.985 ( 0.466 0.446 0.573) 0.863 8.967 ( 4.555 0.005 4.267) 6.241 9.051 ( 1.679 2.458 2.979) 4.211 9.254 ( 6.373 2.780 -3.416) 7.746 10.167 ( -6.112 -3.772 -7.300) 10.240 12.509 ( -2.061 -4.633 -8.456) 9.860 12.975 ( -9.690 0.764 7.489) 12.270 13.183 ( -6.446 -0.543 8.080) 10.351 13.609 ( 12.491 -0.265 -3.497) 12.974 13.846 ( -10.522 0.561 2.999) 10.955 14.734 ( -9.064 -0.097 -7.517) 11.775 15.479 ( 8.592 2.161 -1.238) 8.945 16.397 ( 9.726 4.303 8.857) 13.840 17.468 ( 2.313 -9.963 6.970) 12.377 17.633 ( -2.307 1.649 -9.581) 9.992 17.763 ( -0.788 2.277 -1.077) 2.639 17.892 ( -0.803 2.671 0.559) 2.845 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -21.163 -5.559 -4.554) 22.349 1.460 ( -26.056 -1.362 3.378) 26.309 2.762 ( 11.535 2.207 2.098) 11.930 2.866 ( -42.866 -10.926 -6.620) 44.729 3.499 ( 10.721 2.860 5.346) 12.317 3.621 ( 7.600 3.143 -8.955) 12.159 4.083 ( 4.285 2.628 3.301) 6.013 4.451 ( 3.785 -4.240 -7.367) 9.305 4.494 ( 3.884 3.506 -0.543) 5.260 4.857 ( -2.936 -1.664 4.840) 5.900 6.741 ( -1.312 -0.213 0.575) 1.448 6.878 ( -6.711 -1.702 -0.564) 6.946 7.776 ( 5.928 0.769 -0.355) 5.988 8.001 ( 0.299 1.178 0.009) 1.215 8.920 ( -8.513 -0.359 3.424) 9.182 9.189 ( 8.290 1.051 2.747) 8.796 9.417 ( 10.388 2.435 -4.509) 11.583 9.979 ( -6.834 -2.994 -5.074) 9.023 12.367 ( -3.849 -3.603 -7.344) 9.041 12.770 ( -18.146 -0.575 5.799) 19.058 13.139 ( -4.726 -0.806 7.837) 9.187 13.790 ( -0.380 3.643 3.807) 5.283 13.825 ( 14.019 -0.406 -3.013) 14.344 14.558 ( -6.304 -0.203 -6.972) 9.402 15.593 ( 4.160 0.699 -0.249) 4.226 16.662 ( 10.261 4.459 8.818) 14.245 17.438 ( 1.285 -12.239 8.096) 14.731 17.559 ( -2.748 3.826 -7.904) 9.201 17.757 ( -1.374 2.932 -4.642) 5.660 17.895 ( -1.149 1.364 -0.201) 1.795 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -21.728 -1.587 0.658) 21.795 1.019 ( -29.511 1.569 3.725) 29.786 1.938 ( -55.188 -0.379 -2.389) 55.241 2.961 ( 9.394 0.053 0.132) 9.395 3.705 ( 12.105 -6.335 -2.512) 13.891 3.762 ( 8.330 8.256 -3.211) 12.159 4.184 ( 6.821 -3.283 1.290) 7.679 4.465 ( 2.766 1.352 -1.149) 3.286 4.568 ( 1.736 0.897 0.167) 1.961 4.790 ( -6.316 -0.897 2.765) 6.953 6.702 ( -2.671 -0.173 0.343) 2.698 6.766 ( -5.879 0.157 0.778) 5.932 7.885 ( 6.682 -0.773 0.008) 6.726 8.015 ( 0.101 0.910 -0.170) 0.931 8.782 ( -8.495 -0.102 -0.335) 8.502 9.340 ( 7.339 -0.042 0.615) 7.365 9.532 ( 4.216 0.124 -1.769) 4.574 9.872 ( -1.582 0.010 -0.073) 1.583 12.247 ( -3.209 -0.603 -4.179) 5.304 12.500 ( -16.971 0.573 4.558) 17.582 13.090 ( -5.344 0.247 3.865) 6.600 13.853 ( 5.168 -1.453 -4.422) 6.955 14.037 ( 9.484 1.085 3.880) 10.304 14.456 ( -1.636 0.062 -2.418) 2.920 15.634 ( 0.732 -0.025 0.281) 0.785 16.901 ( 8.456 1.966 3.858) 9.500 17.406 ( 1.858 -7.242 9.827) 12.347 17.523 ( -2.285 4.726 -4.344) 6.814 17.697 ( -3.643 0.519 -8.750) 9.492 17.885 ( -0.374 0.084 -0.487) 0.620 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -5.294 16.264 18.674) 25.323 1.022 ( -8.502 25.295 6.366) 27.435 2.090 ( -29.897 41.979 14.164) 53.448 2.902 ( 5.005 -7.670 -4.947) 10.409 3.591 ( 2.458 -9.192 -9.745) 13.620 3.896 ( 3.341 -5.560 5.696) 8.632 4.109 ( 7.957 -1.848 -6.260) 10.291 4.512 ( -6.100 -6.231 2.427) 9.051 4.725 ( 4.909 3.905 0.234) 6.277 4.808 ( 4.948 -11.702 16.738) 21.014 6.690 ( -1.092 2.946 -0.534) 3.187 6.775 ( -4.140 3.444 1.501) 5.590 7.906 ( 3.095 -5.370 2.228) 6.586 8.033 ( 1.317 1.244 1.764) 2.529 8.761 ( 2.493 10.247 -2.851) 10.924 9.171 ( -6.293 0.383 -9.507) 11.408 9.675 ( 5.516 -11.004 5.874) 13.639 9.924 ( -4.350 -2.702 5.627) 7.608 12.338 ( -8.240 0.939 5.053) 9.711 12.422 ( -4.916 14.008 -3.076) 15.161 13.038 ( 6.478 8.883 -2.965) 11.387 13.755 ( 0.106 8.302 -6.816) 10.743 14.136 ( 6.759 -15.007 7.940) 18.273 14.573 ( -3.035 1.865 9.766) 10.396 15.650 ( 0.305 -0.584 1.941) 2.050 16.688 ( 6.489 -2.413 -15.409) 16.893 17.254 ( -7.665 -8.710 -5.908) 13.020 17.562 ( -1.520 3.637 0.073) 3.943 17.839 ( 0.752 -0.173 4.374) 4.442 17.882 ( 0.428 4.592 -0.198) 4.617 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.231 15.971 19.996) 25.592 1.313 ( 6.713 25.399 10.210) 28.185 2.310 ( -4.108 45.723 11.300) 47.278 2.851 ( 1.509 -8.531 -3.222) 9.243 3.403 ( -3.617 -10.069 -11.561) 15.752 3.813 ( -6.849 -6.297 0.174) 9.305 4.197 ( 7.485 -8.142 -0.508) 11.071 4.317 ( -8.002 -5.604 -5.274) 11.102 4.808 ( 0.996 -7.793 7.254) 10.693 4.891 ( 5.629 -1.033 10.173) 11.672 6.740 ( -0.292 4.791 -0.405) 4.817 6.770 ( 1.566 3.186 1.716) 3.943 7.904 ( 0.786 -5.149 2.917) 5.970 8.067 ( -1.077 2.274 3.519) 4.326 8.943 ( 0.276 9.392 2.866) 9.824 9.009 ( -0.385 2.675 -12.519) 12.808 9.608 ( -1.872 -14.238 4.012) 14.910 9.855 ( -0.797 -4.654 1.367) 4.916 12.227 ( -6.014 2.792 -1.658) 6.835 12.606 ( 6.585 17.252 4.312) 18.962 13.280 ( 7.890 9.945 1.483) 12.781 13.772 ( -5.279 11.244 -4.640) 13.260 14.120 ( 4.538 -17.362 7.678) 19.519 14.568 ( -5.846 1.492 10.865) 12.428 15.666 ( 0.582 -0.625 2.800) 2.928 16.705 ( 5.580 -0.531 -15.025) 16.037 17.068 ( 1.564 -10.318 -5.095) 11.613 17.577 ( -0.764 4.677 -2.023) 5.153 17.820 ( -2.652 -2.659 3.118) 4.881 17.891 ( -3.479 3.521 -0.185) 4.954 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 1.190 14.455 17.005) 22.350 1.722 ( 7.030 22.069 10.214) 25.313 2.698 ( 0.098 -1.467 -2.471) 2.875 2.913 ( 10.238 22.273 8.229) 25.857 3.213 ( 0.471 -1.568 -11.392) 11.509 3.614 ( -6.846 -9.251 -0.666) 11.528 4.052 ( -10.415 -3.940 -2.982) 11.528 4.205 ( 2.684 -10.077 -5.250) 11.675 4.778 ( 0.597 -6.299 4.234) 7.613 5.041 ( 3.388 2.751 9.629) 10.571 6.753 ( -0.452 1.969 0.074) 2.021 6.886 ( 4.538 3.979 0.978) 6.114 7.870 ( -2.703 -2.738 4.082) 5.610 8.087 ( -2.075 1.941 4.384) 5.224 8.873 ( -4.910 5.719 -4.474) 8.765 9.117 ( 3.755 1.120 -3.346) 5.152 9.425 ( -5.373 -13.977 2.528) 15.186 9.864 ( 6.948 -2.696 -1.870) 7.684 12.186 ( -0.337 2.489 -2.929) 3.858 12.964 ( 9.971 18.674 6.302) 22.088 13.435 ( 0.541 3.574 3.521) 5.046 13.758 ( -8.633 16.191 -1.674) 18.424 14.054 ( 1.355 -16.893 9.490) 19.424 14.572 ( -2.831 2.271 8.969) 9.676 15.683 ( -0.183 -1.713 4.515) 4.832 16.597 ( -5.561 -3.094 -13.410) 14.844 17.068 ( 12.777 -9.056 -8.397) 17.770 17.600 ( 0.041 5.139 -3.746) 6.360 17.761 ( -3.683 -2.612 5.495) 7.113 17.870 ( -1.645 2.144 -1.052) 2.900 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 3.162 11.563 13.265) 17.879 2.083 ( 5.871 19.994 6.062) 21.702 2.609 ( -2.319 -4.094 0.891) 4.789 2.969 ( -3.309 -6.073 -4.389) 8.192 3.343 ( 0.869 -6.919 -7.222) 10.039 3.521 ( 2.622 -3.848 3.276) 5.693 3.975 ( 3.875 17.286 -1.187) 17.755 4.087 ( -0.572 -10.002 -4.619) 11.032 4.750 ( 0.447 -4.027 -2.360) 4.689 5.187 ( 2.838 5.498 12.288) 13.758 6.749 ( -1.980 -0.746 0.086) 2.118 6.986 ( 3.722 1.657 0.794) 4.151 7.828 ( -3.970 1.428 4.454) 6.135 8.082 ( -3.169 0.790 4.146) 5.277 8.852 ( -1.139 2.048 -3.800) 4.465 9.080 ( -3.156 -1.629 -4.474) 5.713 9.234 ( -4.383 -10.306 3.518) 11.739 9.992 ( 11.495 -1.026 -4.174) 12.272 12.223 ( 4.518 1.210 -2.848) 5.476 13.249 ( -2.782 10.649 4.747) 11.986 13.457 ( 0.291 1.912 5.162) 5.512 13.820 ( -4.591 21.184 -1.167) 21.707 13.983 ( 1.240 -13.173 13.276) 18.744 14.619 ( 0.021 2.118 5.719) 6.099 15.674 ( -2.551 -3.117 7.012) 8.087 16.349 ( -9.648 -2.159 -15.130) 18.074 17.154 ( 13.259 -9.166 -7.735) 17.879 17.630 ( 0.739 5.103 -5.111) 7.261 17.730 ( -1.124 -2.879 6.199) 6.927 17.864 ( -0.787 1.798 -0.685) 2.079 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 4.740 7.439 8.367) 12.157 2.347 ( 1.541 16.532 1.721) 16.693 2.596 ( -0.241 1.206 2.850) 3.103 2.789 ( -8.214 -6.561 -0.318) 10.517 3.251 ( 5.946 -8.856 -6.423) 12.452 3.396 ( -5.477 -8.432 -0.089) 10.055 3.952 ( 0.097 -8.895 -5.918) 10.685 4.345 ( 13.132 11.195 3.465) 17.600 4.666 ( -2.682 -4.196 -6.369) 8.085 5.433 ( 7.513 13.936 10.362) 18.922 6.630 ( -10.257 -4.455 0.360) 11.188 7.058 ( 4.424 -1.873 1.435) 5.014 7.837 ( -2.173 5.982 3.132) 7.093 8.053 ( -3.324 -0.014 3.222) 4.629 8.758 ( -4.298 -6.847 -2.321) 8.411 8.995 ( -3.880 1.276 -4.416) 6.015 9.166 ( 1.885 -3.289 3.306) 5.030 10.138 ( 10.202 -0.820 -5.518) 11.628 12.314 ( 7.585 -0.776 -2.021) 7.888 13.176 ( -8.814 -1.840 4.567) 10.096 13.508 ( -6.440 10.102 1.845) 12.121 13.829 ( -6.933 0.011 5.692) 8.970 14.167 ( 9.892 9.868 9.389) 16.834 14.664 ( 1.286 -0.194 2.254) 2.603 15.613 ( -6.881 -3.797 7.448) 10.828 16.101 ( -7.087 1.340 -14.252) 15.973 17.228 ( 11.096 -9.687 -4.783) 15.487 17.657 ( 0.964 4.765 -6.364) 8.008 17.739 ( 0.984 -2.762 5.540) 6.268 17.868 ( -0.617 2.042 -0.143) 2.138 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 3.889 1.709 2.895) 5.140 2.450 ( -11.225 9.665 0.616) 14.825 2.491 ( -5.636 -1.589 1.244) 5.987 2.746 ( 3.783 3.357 0.458) 5.079 3.271 ( -0.309 -2.519 -1.436) 2.916 3.314 ( 9.819 -5.390 0.968) 11.243 3.853 ( 2.326 -8.102 -5.730) 10.192 4.525 ( -2.843 -5.350 -6.790) 9.100 4.601 ( 8.536 1.154 4.402) 9.673 5.739 ( 0.908 15.757 2.663) 16.006 6.371 ( -11.023 -5.852 2.562) 12.740 7.109 ( 3.749 -4.573 1.962) 6.231 7.880 ( -2.750 6.951 0.521) 7.493 8.016 ( -3.018 -0.159 2.092) 3.676 8.638 ( 0.197 -6.116 0.535) 6.143 8.927 ( -2.175 1.305 -3.242) 4.116 9.219 ( 2.923 -0.267 1.844) 3.466 10.237 ( 6.441 -0.442 -5.882) 8.734 12.417 ( 7.630 -3.085 -1.294) 8.331 13.053 ( -4.845 -3.831 3.648) 7.174 13.472 ( -8.867 9.827 -0.922) 13.268 13.733 ( -8.881 -0.402 7.403) 11.568 14.388 ( -3.337 5.970 6.694) 9.570 14.746 ( 11.247 -0.457 1.038) 11.304 15.438 ( -12.202 -3.041 -0.981) 12.614 16.024 ( 0.828 5.097 -4.072) 6.576 17.281 ( 8.841 -9.859 -1.206) 13.297 17.673 ( 0.913 4.126 -7.882) 8.944 17.767 ( 1.320 -2.748 5.076) 5.921 17.880 ( -0.661 2.941 -0.267) 3.026 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -10.108 -3.865 -2.648) 11.141 2.361 ( -2.608 3.118 1.399) 4.299 2.398 ( -9.655 2.081 2.558) 10.203 2.917 ( 7.820 9.706 0.796) 12.489 3.232 ( 0.965 -5.519 -1.622) 5.833 3.505 ( 14.046 -1.318 0.125) 14.108 3.822 ( 4.381 -3.145 -2.853) 6.101 4.410 ( -0.527 -3.444 -6.556) 7.425 4.741 ( 6.344 -2.776 5.178) 8.647 5.541 ( -30.419 1.075 -1.872) 30.496 6.411 ( 10.397 3.929 3.100) 11.539 7.109 ( 0.675 -5.573 1.811) 5.898 7.850 ( -6.970 4.167 -1.404) 8.241 7.985 ( -1.182 0.025 1.287) 1.748 8.685 ( 7.762 -1.610 3.316) 8.592 8.924 ( 2.433 2.137 -3.451) 4.733 9.253 ( 0.127 -0.373 1.180) 1.245 10.264 ( 1.098 -0.194 -5.418) 5.532 12.470 ( 4.004 -4.260 -2.503) 6.360 13.007 ( 1.505 -4.619 3.658) 6.081 13.422 ( -5.800 8.326 -1.061) 10.203 13.617 ( -10.844 1.613 5.752) 12.381 14.283 ( -12.993 -1.213 4.895) 13.937 14.964 ( 7.492 -0.051 -0.206) 7.495 15.214 ( -5.392 0.308 -4.956) 7.330 16.138 ( 5.552 6.407 2.869) 8.950 17.320 ( 6.973 -9.943 2.141) 12.332 17.666 ( 0.159 3.132 -9.046) 9.575 17.783 ( -0.011 -2.402 4.748) 5.321 17.902 ( -0.146 3.850 -1.298) 4.065 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -16.927 -3.490 -2.714) 17.495 2.200 ( -17.777 5.027 2.512) 18.645 2.442 ( 5.880 0.451 1.970) 6.218 3.131 ( 8.478 -5.228 3.059) 10.420 3.212 ( 5.603 4.214 -6.305) 9.429 3.667 ( 8.633 -3.122 -5.843) 10.882 3.927 ( 5.811 5.135 3.359) 8.451 4.361 ( 2.176 -2.435 -6.302) 7.098 4.817 ( 0.232 -3.135 2.966) 4.322 4.971 ( -31.223 -1.134 2.851) 31.373 6.631 ( 8.973 2.599 0.621) 9.362 7.051 ( -2.683 -4.532 1.310) 5.427 7.754 ( -5.637 1.485 -0.801) 5.884 7.990 ( 0.205 1.066 0.285) 1.122 8.860 ( 9.831 0.277 4.770) 10.930 9.000 ( 6.724 2.100 -4.643) 8.437 9.232 ( -2.140 -0.521 0.126) 2.206 10.201 ( -4.721 -0.379 -4.048) 6.230 12.442 ( -0.092 -3.069 -4.769) 5.672 13.036 ( 3.101 -5.221 5.776) 8.381 13.457 ( -2.084 9.922 2.196) 10.373 13.471 ( -8.681 0.303 1.225) 8.772 14.055 ( -13.751 -4.016 4.607) 15.048 14.844 ( -9.913 -0.424 -7.975) 12.730 15.331 ( 10.953 1.331 1.215) 11.100 16.340 ( 8.348 6.212 4.697) 11.417 17.343 ( 5.004 -10.683 4.750) 12.717 17.631 ( -1.215 3.058 -8.153) 8.792 17.782 ( -0.721 -0.985 2.382) 2.677 17.924 ( -0.285 3.286 -2.430) 4.096 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -20.521 -1.236 -0.682) 20.569 1.912 ( -23.781 3.319 3.070) 24.207 2.594 ( 10.268 0.411 0.988) 10.324 3.120 ( 1.901 -10.459 -3.873) 11.314 3.396 ( 5.351 6.477 2.019) 8.641 3.658 ( -5.872 5.483 -7.603) 11.061 4.005 ( -1.226 -3.689 -0.768) 3.963 4.328 ( 2.971 -0.908 -7.693) 8.297 4.580 ( -9.313 4.498 7.763) 12.932 4.883 ( 0.588 -3.519 5.198) 6.304 6.744 ( 2.735 0.575 -0.073) 2.796 6.962 ( -4.852 -2.002 1.289) 5.405 7.714 ( 0.706 -0.342 0.119) 0.793 8.007 ( 0.382 1.276 -0.399) 1.390 9.016 ( 1.296 1.417 0.139) 1.925 9.082 ( 5.106 -1.021 0.311) 5.216 9.238 ( 7.420 -0.290 -2.735) 7.913 10.075 ( -7.899 0.732 -0.805) 7.974 12.365 ( -3.050 -0.343 -4.880) 5.765 13.029 ( -5.368 -5.133 8.112) 10.999 13.308 ( -11.413 6.276 -0.029) 13.025 13.622 ( 9.227 2.902 2.880) 10.092 13.848 ( -6.512 -5.135 0.987) 8.352 14.646 ( -8.512 0.769 -6.041) 10.466 15.502 ( 7.695 -0.210 1.545) 7.852 16.573 ( 10.185 4.217 2.902) 11.399 17.341 ( 2.919 -9.576 7.068) 12.255 17.598 ( -1.859 4.393 -5.651) 7.395 17.767 ( -1.136 -0.197 -1.306) 1.742 17.918 ( -1.153 1.563 -3.196) 3.740 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -20.707 3.907 4.636) 21.577 1.527 ( -27.110 2.220 1.842) 27.263 2.758 ( 2.086 -0.230 -1.068) 2.355 2.820 ( -28.556 7.254 2.496) 29.568 3.451 ( 5.762 -3.409 -3.425) 7.520 3.697 ( 6.430 7.199 -2.508) 9.974 3.976 ( 8.355 -8.643 -4.148) 12.717 4.393 ( 6.502 1.767 -2.961) 7.360 4.617 ( -1.605 2.234 10.464) 10.820 4.862 ( -2.272 -2.489 1.862) 3.851 6.749 ( -1.658 0.636 -0.639) 1.887 6.877 ( -5.801 0.458 2.403) 6.296 7.765 ( 5.829 -1.584 0.588) 6.069 8.016 ( 0.095 -0.023 -0.432) 0.443 8.911 ( -8.472 1.034 -5.293) 10.043 9.203 ( 7.729 -1.944 0.154) 7.971 9.393 ( 11.187 -1.421 0.492) 11.287 9.976 ( -6.882 3.401 3.764) 8.550 12.300 ( -3.470 4.170 -2.607) 6.019 12.836 ( -17.189 -1.673 6.588) 18.484 13.211 ( -7.346 1.770 -1.219) 7.654 13.698 ( 2.761 -3.698 -6.131) 7.673 13.896 ( 11.408 -1.549 6.343) 13.145 14.520 ( -5.336 2.101 -0.577) 5.764 15.600 ( 3.828 -1.033 1.550) 4.257 16.742 ( 8.884 -3.746 -4.767) 10.755 17.396 ( 3.785 -0.562 13.064) 13.613 17.585 ( -1.917 5.541 -4.024) 7.111 17.703 ( -3.684 -1.425 -6.219) 7.368 17.887 ( -0.860 0.010 -2.297) 2.452 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -10.962 12.961 14.395) 22.256 1.451 ( -12.043 21.035 3.726) 24.524 2.696 ( 6.443 -7.798 -4.329) 11.003 3.041 ( -31.365 28.606 12.105) 44.143 3.380 ( 6.806 -7.185 -7.600) 12.479 3.759 ( 9.096 -4.556 6.081) 11.852 3.978 ( 5.014 2.180 -7.987) 9.679 4.486 ( 3.443 -5.987 1.166) 7.004 4.646 ( 0.825 -5.244 5.731) 7.812 4.792 ( -1.712 -3.331 1.134) 3.914 6.735 ( -0.475 2.329 0.115) 2.380 6.897 ( -5.743 2.560 1.365) 6.434 7.816 ( 4.109 -3.860 3.827) 6.814 8.022 ( 2.613 1.068 2.224) 3.594 8.824 ( -2.180 7.949 -6.651) 10.591 9.130 ( 2.956 -4.954 -2.909) 6.461 9.489 ( 8.221 -8.521 2.766) 12.159 10.075 ( -9.379 1.464 4.739) 10.610 12.508 ( -5.554 2.743 7.386) 9.639 12.673 ( -11.806 10.097 -3.919) 16.022 13.014 ( 2.958 8.775 -6.647) 11.398 13.761 ( 2.791 4.536 1.088) 5.436 13.927 ( 6.818 -14.109 8.335) 17.749 14.716 ( -1.822 6.603 9.633) 11.820 15.629 ( 2.329 -3.408 3.751) 5.577 16.444 ( 7.437 -4.650 -14.071) 16.581 17.284 ( -9.829 -7.561 -8.222) 14.878 17.630 ( -2.405 3.107 0.631) 3.980 17.825 ( 0.867 -1.533 0.937) 1.995 17.910 ( 3.754 5.954 2.275) 7.398 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -0.307 15.846 17.337) 23.489 1.583 ( -3.283 24.706 5.934) 25.620 2.684 ( 4.327 -8.319 -4.141) 10.251 2.950 ( -16.447 23.646 8.298) 29.975 3.323 ( -2.506 -2.168 -5.723) 6.613 3.861 ( -1.989 -2.423 1.878) 3.654 3.977 ( 6.197 -4.446 -5.983) 9.694 4.355 ( -6.786 -7.696 -1.188) 10.329 4.741 ( 1.026 -8.947 4.287) 9.974 4.781 ( 10.691 -0.350 3.689) 11.314 6.780 ( 1.134 5.119 1.698) 5.511 6.835 ( -4.386 1.146 0.371) 4.548 7.854 ( 2.215 -3.668 4.800) 6.434 8.109 ( 2.213 2.805 4.012) 5.372 8.877 ( 4.374 5.820 -7.857) 10.712 9.095 ( -1.707 0.021 -1.033) 1.995 9.494 ( 2.505 -12.160 2.221) 12.613 9.915 ( -10.172 -2.317 1.039) 10.484 12.393 ( -10.496 0.792 1.981) 10.710 12.722 ( 2.119 16.811 1.409) 17.003 13.232 ( 9.323 14.585 -3.932) 17.751 13.845 ( 4.027 -2.520 3.089) 5.666 13.946 ( 3.148 -7.947 8.418) 11.997 14.780 ( -5.907 5.402 12.082) 14.493 15.654 ( 1.649 -3.163 4.599) 5.820 16.469 ( 9.101 -0.974 -15.055) 17.619 17.003 ( -7.659 -9.785 -6.525) 14.035 17.627 ( -1.631 3.604 -1.089) 4.103 17.809 ( 0.040 -2.524 -0.402) 2.556 17.980 ( -1.700 2.660 1.103) 3.343 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -0.628 13.503 14.837) 20.072 1.881 ( 5.068 21.302 9.229) 23.762 2.633 ( 1.429 -6.971 -2.432) 7.520 2.970 ( -0.490 -1.351 -4.120) 4.364 3.294 ( -3.893 16.556 1.623) 17.085 3.680 ( -10.526 -5.514 -3.590) 12.413 4.016 ( 5.436 -7.506 -3.111) 9.776 4.170 ( -8.932 1.107 -1.870) 9.193 4.700 ( 2.116 -8.280 0.666) 8.572 4.988 ( 10.228 -0.503 7.443) 12.659 6.780 ( -2.087 -1.637 0.430) 2.687 6.882 ( 2.532 6.403 1.515) 7.050 7.885 ( 0.898 -1.422 5.090) 5.361 8.177 ( -1.099 3.187 5.148) 6.154 8.900 ( 1.217 -1.655 -6.615) 6.926 9.111 ( -0.300 5.706 -1.597) 5.933 9.385 ( -2.844 -11.740 3.193) 12.494 9.767 ( -2.024 -3.419 -2.886) 4.911 12.265 ( -6.862 3.175 -1.505) 7.709 13.018 ( 9.726 17.114 5.759) 20.509 13.441 ( 3.395 7.489 -1.927) 8.445 13.872 ( 4.992 -12.202 5.628) 14.335 14.011 ( -1.162 8.960 5.334) 10.492 14.777 ( -8.784 4.886 12.967) 16.406 15.681 ( 1.437 -3.254 6.014) 6.987 16.501 ( 4.567 -1.247 -15.326) 16.041 16.802 ( 1.342 -10.125 -6.249) 11.974 17.630 ( -0.918 3.748 -2.741) 4.733 17.777 ( -0.521 -3.365 0.629) 3.463 17.948 ( -4.125 1.777 0.275) 4.500 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -0.232 11.691 10.958) 16.025 2.205 ( 5.306 14.989 9.889) 18.725 2.588 ( 0.883 -4.283 0.338) 4.386 2.878 ( 1.046 -5.464 -7.807) 9.586 3.356 ( -8.318 -1.109 -6.735) 10.761 3.471 ( -0.998 -5.973 3.000) 6.758 3.963 ( 0.880 -8.881 -4.285) 9.900 4.136 ( -3.968 17.944 0.501) 18.385 4.661 ( 2.336 -5.642 -3.742) 7.162 5.200 ( 8.622 2.058 10.262) 13.560 6.739 ( 0.026 -4.315 0.449) 4.339 6.980 ( 1.377 5.069 0.397) 5.268 7.916 ( -1.015 1.770 5.000) 5.400 8.191 ( -4.121 2.300 5.112) 6.957 8.858 ( -0.731 -2.055 -3.021) 3.726 9.082 ( -2.434 -1.864 -4.462) 5.414 9.248 ( -5.548 -6.373 3.996) 9.347 9.781 ( 8.709 -1.068 -5.001) 10.099 12.213 ( -2.060 3.767 -2.562) 5.000 13.384 ( 12.158 10.447 3.852) 16.486 13.460 ( -5.782 2.442 5.291) 8.210 13.863 ( 3.540 -11.663 6.462) 13.796 14.115 ( -4.305 17.860 0.179) 18.373 14.761 ( -7.100 3.743 12.270) 14.662 15.707 ( 0.222 -3.503 8.214) 8.932 16.365 ( -5.784 -3.015 -14.299) 15.717 16.800 ( 12.256 -8.288 -8.333) 16.981 17.635 ( -0.132 3.471 -4.170) 5.427 17.743 ( -0.505 -3.442 2.620) 4.355 17.908 ( -2.527 1.822 0.168) 3.120 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -0.279 8.539 7.413) 11.311 2.437 ( 3.534 7.537 5.380) 9.911 2.610 ( 2.319 1.273 4.367) 5.106 2.855 ( 2.259 0.566 -4.079) 4.697 3.096 ( -7.621 -7.280 -6.913) 12.604 3.388 ( -3.297 -8.220 1.118) 8.926 3.844 ( -0.996 -8.420 -5.074) 9.881 4.313 ( 4.399 9.453 2.641) 10.756 4.612 ( -0.093 -1.711 -7.824) 8.010 5.467 ( 10.102 9.124 10.193) 17.005 6.685 ( -1.783 -6.191 0.307) 6.450 7.019 ( -0.300 1.677 -0.325) 1.734 7.955 ( -1.691 5.694 4.400) 7.392 8.151 ( -5.477 0.676 4.008) 6.820 8.752 ( -4.623 -7.527 -2.345) 9.140 9.036 ( -1.274 2.988 -4.116) 5.243 9.135 ( -2.094 -5.759 3.615) 7.114 9.925 ( 11.285 0.657 -4.895) 12.318 12.233 ( 2.032 3.129 -2.328) 4.398 13.329 ( -8.346 -6.233 5.776) 11.911 13.664 ( 1.200 12.505 1.562) 12.659 13.851 ( 3.184 -9.861 6.368) 12.162 14.234 ( -0.202 17.596 -0.149) 17.598 14.753 ( -5.857 1.367 10.133) 11.783 15.711 ( -3.035 -3.856 9.791) 10.952 16.144 ( -7.136 1.276 -15.244) 16.879 16.893 ( 13.744 -9.176 -6.502) 17.759 17.641 ( 0.601 2.944 -5.293) 6.087 17.734 ( 0.528 -2.780 4.089) 4.972 17.901 ( -0.933 2.080 0.244) 2.293 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -0.746 4.577 3.630) 5.889 2.537 ( 0.295 -0.672 2.849) 2.942 2.712 ( 2.812 1.015 1.650) 3.414 2.759 ( -12.411 9.928 -0.140) 15.894 3.061 ( 11.872 -5.540 -2.616) 13.360 3.272 ( -3.317 -3.271 0.213) 4.663 3.735 ( 0.529 -6.469 -3.523) 7.385 4.409 ( 3.326 -7.266 -0.923) 8.044 4.566 ( 0.577 3.722 -4.122) 5.583 5.808 ( 10.682 13.300 5.758) 18.004 6.520 ( -11.159 -7.375 0.000) 13.376 7.023 ( 1.872 -2.461 0.395) 3.118 8.013 ( -3.259 8.212 2.425) 9.162 8.090 ( -3.869 0.125 2.822) 4.791 8.591 ( -2.753 -7.821 -1.259) 8.386 8.967 ( -4.489 0.070 -2.152) 4.979 9.162 ( 4.438 -0.741 1.237) 4.667 10.084 ( 9.230 1.882 -3.645) 10.100 12.301 ( 4.340 1.612 -1.352) 4.823 13.151 ( -9.014 -6.760 5.437) 12.511 13.682 ( -7.537 7.204 -2.708) 10.772 13.850 ( -0.890 -2.611 3.718) 4.630 14.460 ( 8.483 11.255 2.520) 14.318 14.697 ( -6.557 -2.798 7.754) 10.533 15.597 ( -10.698 -4.454 1.634) 11.702 16.048 ( -0.516 7.431 -6.632) 9.974 16.992 ( 12.719 -9.872 -3.097) 16.396 17.644 ( 0.788 2.459 -6.119) 6.641 17.754 ( 1.337 -2.122 4.853) 5.463 17.914 ( -0.457 2.653 -0.159) 2.697 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -4.548 0.863 -1.126) 4.764 2.449 ( -6.245 -2.168 3.370) 7.420 2.630 ( -8.728 4.846 0.952) 10.028 2.896 ( 5.838 10.544 0.469) 12.061 3.126 ( 2.948 -12.867 -2.064) 13.361 3.282 ( 7.753 2.847 -1.417) 8.380 3.734 ( 4.723 0.267 0.912) 4.817 4.334 ( 0.001 -5.314 -5.035) 7.320 4.638 ( 5.584 -1.192 1.814) 5.991 6.001 ( -16.053 10.980 -1.646) 19.519 6.283 ( 3.574 -8.429 3.723) 9.883 7.037 ( 2.651 -3.960 0.849) 4.841 8.004 ( -4.638 4.488 -0.150) 6.455 8.047 ( -6.344 2.191 1.217) 6.822 8.555 ( 6.270 -4.096 0.810) 7.533 8.905 ( -1.311 -0.142 -1.384) 1.912 9.227 ( 2.957 -0.018 -0.282) 2.970 10.209 ( 4.664 2.917 -2.031) 5.864 12.373 ( 3.691 -0.095 -0.653) 3.750 12.997 ( -4.411 -5.976 3.144) 8.066 13.582 ( -7.744 3.848 -2.917) 9.126 13.810 ( -5.341 1.460 2.277) 5.987 14.525 ( -13.065 0.970 5.101) 14.059 14.763 ( 14.197 -0.391 1.963) 14.337 15.349 ( -12.495 -2.146 -3.663) 13.196 16.142 ( 3.520 8.304 0.156) 9.020 17.085 ( 10.744 -9.664 0.299) 14.454 17.640 ( 0.427 2.358 -6.200) 6.647 17.786 ( 0.875 -1.981 5.228) 5.659 17.930 ( -0.410 3.270 -1.631) 3.677 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -12.315 0.197 -2.122) 12.498 2.416 ( -0.388 1.024 2.937) 3.134 2.530 ( -11.974 7.049 2.573) 14.131 2.938 ( 1.150 -16.438 -2.353) 16.645 3.144 ( 8.071 8.422 -2.054) 11.845 3.438 ( 10.131 -0.274 -4.639) 11.146 3.896 ( 7.721 6.233 4.154) 10.757 4.282 ( 0.948 -1.773 -3.405) 3.954 4.728 ( 6.091 -3.365 2.446) 7.376 5.563 ( -34.139 2.073 0.746) 34.210 6.453 ( 13.182 -3.173 1.405) 13.631 7.037 ( 0.537 -2.677 0.873) 2.866 7.905 ( -10.270 2.520 -0.619) 10.593 8.003 ( -0.665 1.182 -0.462) 1.432 8.697 ( 11.610 -1.055 1.293) 11.730 8.906 ( 2.459 -0.163 -1.260) 2.768 9.247 ( -0.036 0.103 -1.434) 1.438 10.256 ( -1.554 2.978 -0.496) 3.395 12.403 ( 0.808 0.107 -1.299) 1.534 12.948 ( 2.527 -4.948 2.731) 6.191 13.492 ( -4.000 1.743 -1.709) 4.686 13.734 ( -7.649 3.205 1.520) 8.431 14.295 ( -16.332 -2.794 3.766) 16.992 14.904 ( -0.033 -0.449 -6.554) 6.569 15.210 ( 2.271 -0.492 3.130) 3.898 16.295 ( 5.989 5.861 0.512) 8.395 17.166 ( 8.102 -8.163 3.372) 11.985 17.632 ( -0.191 2.993 -5.120) 5.934 17.801 ( -0.575 -1.970 4.509) 4.953 17.940 ( -0.381 3.069 -3.497) 4.668 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -17.162 2.589 0.341) 17.360 2.317 ( -19.135 1.631 0.491) 19.210 2.486 ( 3.302 1.321 2.996) 4.650 2.870 ( 9.805 -10.481 -3.001) 14.663 3.345 ( 8.344 5.252 -0.450) 9.870 3.558 ( 9.282 -0.152 -6.418) 11.286 4.085 ( 2.588 5.920 2.666) 6.989 4.262 ( -1.625 -0.046 -3.035) 3.443 4.792 ( 3.056 -1.959 0.534) 3.669 5.052 ( -29.029 2.339 7.582) 30.094 6.619 ( 10.515 -4.576 0.080) 11.468 7.019 ( -2.094 0.416 1.467) 2.591 7.766 ( -6.881 0.210 -0.330) 6.892 8.008 ( 0.200 1.080 -1.206) 1.631 8.899 ( 12.652 -1.405 0.146) 12.731 8.959 ( 4.867 -0.550 -1.104) 5.021 9.210 ( -2.796 0.137 -2.526) 3.771 10.220 ( -6.117 3.246 1.760) 7.145 12.400 ( -1.644 3.313 -1.887) 4.152 12.990 ( 4.625 -5.308 4.186) 8.191 13.455 ( -2.485 1.557 -2.777) 4.039 13.663 ( -3.213 1.210 3.058) 4.598 13.995 ( -17.450 -2.836 1.245) 17.723 14.768 ( -8.369 1.829 -5.415) 10.134 15.357 ( 9.934 -2.118 4.054) 10.937 16.438 ( 8.150 -0.066 -3.182) 8.749 17.252 ( 5.747 -3.105 7.290) 9.789 17.632 ( -0.711 3.900 -3.344) 5.186 17.783 ( -1.761 -1.729 1.808) 3.059 17.927 ( -1.033 1.580 -4.469) 4.851 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -18.387 6.858 4.837) 20.212 1.960 ( -22.768 -0.499 -0.412) 22.777 2.585 ( 6.946 -1.733 0.201) 7.162 2.986 ( 11.000 -1.656 -0.857) 11.157 3.501 ( 5.587 1.048 2.655) 6.274 3.686 ( 9.345 4.360 -7.566) 12.790 3.927 ( -25.394 1.893 0.996) 25.484 4.277 ( 5.857 2.244 -4.800) 7.898 4.791 ( -7.074 5.122 8.323) 12.064 4.848 ( -1.487 -5.433 4.214) 7.035 6.709 ( 5.487 -3.684 -0.883) 6.667 6.995 ( -4.472 3.011 2.713) 6.035 7.700 ( -0.031 -1.169 0.365) 1.225 8.008 ( 0.070 -0.353 -0.991) 1.055 8.985 ( -0.663 0.963 -7.136) 7.231 9.057 ( 6.712 -4.006 1.219) 7.911 9.203 ( 6.967 -0.740 0.498) 7.024 10.165 ( -6.947 4.727 4.703) 9.630 12.402 ( -2.932 7.849 -0.854) 8.422 13.000 ( -2.038 -6.212 5.700) 8.674 13.341 ( -8.820 -0.033 -7.045) 11.288 13.707 ( 2.191 -6.452 -0.416) 6.827 13.755 ( -5.159 3.867 5.546) 8.504 14.649 ( -6.695 4.102 -0.322) 7.859 15.501 ( 7.471 -3.132 3.337) 8.762 16.502 ( 8.036 -7.330 -8.884) 14.044 17.412 ( 5.945 4.330 11.678) 13.801 17.636 ( -1.290 4.120 -3.119) 5.326 17.723 ( -3.702 -1.837 -2.344) 4.751 17.887 ( -1.253 -0.076 -3.522) 3.739 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -11.346 10.571 9.245) 18.054 1.845 ( -10.781 16.552 3.452) 20.053 2.521 ( 3.795 -6.348 -1.556) 7.558 3.140 ( 10.215 -4.513 -5.228) 12.331 3.483 ( 2.126 -8.135 5.150) 9.860 3.802 ( 5.904 0.042 -0.909) 5.974 3.883 ( -11.178 9.764 0.236) 14.844 4.426 ( 2.517 8.063 -1.162) 8.527 4.695 ( -7.852 0.543 1.528) 8.018 4.797 ( -5.896 -6.611 2.466) 9.195 6.707 ( 5.928 -1.491 0.415) 6.126 7.020 ( -6.433 0.645 0.373) 6.476 7.768 ( 2.721 1.205 5.214) 6.004 8.000 ( 2.361 0.299 2.098) 3.172 8.857 ( -0.866 -0.893 -7.253) 7.359 8.999 ( 5.264 -1.600 -2.439) 6.018 9.310 ( 6.122 -4.934 2.491) 8.248 10.269 ( -7.771 2.205 3.354) 8.747 12.650 ( -4.777 -0.676 5.507) 7.322 12.871 ( -5.673 2.203 -2.980) 6.776 13.042 ( 0.343 12.570 -6.993) 14.388 13.735 ( 4.487 -13.167 10.583) 17.479 13.854 ( -2.875 9.029 3.681) 10.165 14.860 ( -0.778 8.343 5.855) 10.222 15.543 ( 5.808 -6.746 5.533) 10.481 16.206 ( 6.686 -2.992 -11.517) 13.649 17.325 ( -9.720 -7.150 -8.789) 14.928 17.700 ( -2.435 2.214 -0.430) 3.319 17.804 ( 0.321 -1.195 0.529) 1.346 17.900 ( 5.321 4.907 2.809) 7.764 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -4.169 15.192 11.790) 19.677 1.913 ( -6.049 20.037 4.807) 21.475 2.517 ( 4.248 -6.082 -1.955) 7.672 3.089 ( -1.674 -10.278 -6.156) 12.097 3.478 ( -2.057 -1.308 6.747) 7.174 3.841 ( 0.170 3.105 0.812) 3.214 3.879 ( 2.611 -2.612 -8.113) 8.915 4.495 ( -9.153 11.792 2.071) 15.070 4.634 ( 3.225 0.223 -0.050) 3.233 4.667 ( -0.568 -9.814 2.710) 10.197 6.790 ( 3.643 0.051 2.693) 4.530 6.922 ( -5.213 0.247 -0.306) 5.228 7.841 ( 0.996 0.610 6.058) 6.169 8.099 ( 4.787 2.722 4.081) 6.854 8.809 ( 1.964 -1.743 -7.520) 7.966 9.059 ( 3.920 1.662 -2.338) 4.857 9.340 ( 4.039 -9.290 1.641) 10.262 10.115 ( -13.034 -0.685 0.825) 13.078 12.557 ( -7.048 -4.142 4.853) 9.507 12.838 ( -0.162 10.778 -3.951) 11.480 13.245 ( 5.676 19.263 -2.838) 20.281 13.717 ( 2.665 -11.119 7.337) 13.586 13.958 ( 1.739 4.232 8.596) 9.738 14.970 ( -1.105 7.196 8.834) 11.448 15.598 ( 4.085 -6.393 6.802) 10.190 16.239 ( 7.351 0.397 -12.231) 14.275 17.020 ( -10.460 -8.965 -9.071) 16.495 17.680 ( -1.817 1.820 -0.727) 2.672 17.785 ( -0.397 -1.599 -1.106) 1.984 18.007 ( 1.620 1.910 1.026) 2.707 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -1.538 12.564 12.546) 17.822 2.085 ( 0.241 20.436 4.272) 20.879 2.520 ( 3.215 -4.543 -0.775) 5.619 2.912 ( -2.814 -9.439 -4.435) 10.802 3.438 ( -2.458 -4.446 2.022) 5.468 3.741 ( -6.154 -5.128 -9.828) 12.679 3.879 ( 3.078 -3.987 -1.364) 5.219 4.464 ( -12.823 20.694 3.590) 24.608 4.571 ( 1.139 -8.156 -2.705) 8.669 4.814 ( 12.630 -1.914 6.037) 14.129 6.788 ( -2.249 -5.973 1.611) 6.583 6.926 ( 1.423 6.071 1.822) 6.497 7.901 ( 0.791 1.781 5.598) 5.927 8.223 ( 2.776 3.049 4.857) 6.371 8.792 ( 3.770 -3.655 -5.606) 7.681 9.117 ( 1.465 1.775 -3.684) 4.344 9.309 ( 2.905 -8.090 2.124) 8.854 9.866 ( -13.628 -2.233 -1.783) 13.925 12.418 ( -8.361 -0.378 1.360) 8.479 13.013 ( 8.244 11.064 -1.296) 13.858 13.486 ( 3.348 14.296 1.212) 14.733 13.720 ( 4.437 -7.825 4.682) 10.141 14.095 ( 3.088 5.316 8.853) 10.779 15.046 ( -5.552 7.006 10.745) 13.978 15.643 ( 3.117 -6.117 8.588) 10.995 16.295 ( 7.225 1.799 -14.262) 16.088 16.724 ( -7.202 -10.291 -7.498) 14.628 17.665 ( -1.279 1.900 -1.671) 2.835 17.752 ( -0.434 -2.356 -0.877) 2.551 18.010 ( -2.072 0.335 -0.437) 2.144 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -1.244 9.666 7.857) 12.518 2.325 ( 3.438 13.790 6.663) 15.696 2.522 ( 1.446 -2.854 0.971) 3.344 2.784 ( -0.402 -6.021 -4.078) 7.283 3.346 ( -1.053 -8.810 -3.914) 9.697 3.517 ( -7.955 -3.894 -4.226) 9.813 3.849 ( 1.143 -7.067 -2.401) 7.551 4.457 ( -9.685 7.646 2.286) 12.549 4.549 ( 0.853 8.526 -5.134) 9.989 5.070 ( 14.013 0.214 8.121) 16.197 6.695 ( -1.503 -7.395 0.741) 7.583 7.023 ( 1.187 5.749 1.577) 6.079 7.968 ( 0.589 3.075 4.716) 5.660 8.291 ( -1.205 2.131 4.259) 4.912 8.794 ( 2.975 -3.437 -2.391) 5.136 9.055 ( -2.152 -5.785 -3.029) 6.875 9.331 ( -1.323 0.510 2.517) 2.889 9.664 ( -2.735 -2.177 -4.691) 5.851 12.311 ( -6.017 2.905 -0.786) 6.728 13.227 ( 10.141 0.642 -1.842) 10.327 13.645 ( -1.292 9.289 10.528) 14.099 13.760 ( 3.676 -1.922 0.674) 4.202 14.255 ( 2.831 8.418 3.567) 9.571 15.048 ( -10.198 7.859 10.331) 16.508 15.694 ( 3.011 -6.157 10.972) 12.936 16.300 ( 1.089 0.752 -15.938) 15.993 16.537 ( 2.788 -9.524 -6.015) 11.604 17.651 ( -1.033 2.079 -2.849) 3.675 17.721 ( 0.150 -2.855 0.494) 2.901 17.965 ( -2.723 0.407 -0.448) 2.789 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.483 7.340 4.538) 8.643 2.481 ( -0.093 1.584 6.556) 6.746 2.581 ( 6.683 2.328 2.041) 7.365 2.737 ( 2.267 -1.819 -3.111) 4.257 3.162 ( -6.566 -5.767 -7.978) 11.833 3.405 ( -3.702 -1.502 3.400) 5.246 3.760 ( -1.040 -7.342 -3.327) 8.127 4.372 ( -3.046 -2.983 -0.040) 4.263 4.610 ( -2.823 11.621 -5.620) 13.214 5.378 ( 14.624 3.891 7.933) 17.086 6.619 ( 0.495 -7.124 -0.025) 7.141 7.071 ( -1.752 3.812 -0.262) 4.203 8.036 ( 0.593 3.998 4.162) 5.802 8.275 ( -4.985 0.921 2.957) 5.869 8.742 ( -3.680 -5.577 -2.005) 6.976 9.001 ( 3.200 -1.883 -0.903) 3.821 9.228 ( -9.878 -1.147 1.900) 10.125 9.723 ( 10.750 1.181 -4.104) 11.567 12.268 ( -2.618 4.614 -1.616) 5.546 13.312 ( 4.554 -7.617 0.403) 8.883 13.731 ( 0.698 -5.402 12.768) 13.882 13.825 ( -1.035 11.817 -3.920) 12.493 14.368 ( 0.434 7.467 -0.121) 7.481 14.998 ( -11.200 7.743 7.876) 15.729 15.751 ( 1.314 -6.179 12.879) 14.345 16.171 ( -4.747 2.503 -14.423) 15.389 16.549 ( 11.609 -8.573 -6.369) 15.774 17.637 ( -0.570 2.013 -3.666) 4.221 17.713 ( 1.050 -2.456 2.192) 3.455 17.938 ( -1.284 1.159 0.166) 1.738 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -2.114 5.712 2.751) 6.683 2.509 ( 1.812 -3.282 2.162) 4.328 2.699 ( 1.960 0.987 3.415) 4.059 2.808 ( 10.244 -2.899 -2.530) 10.943 2.986 ( -7.028 2.251 -3.328) 8.096 3.361 ( -5.873 3.808 3.406) 7.784 3.661 ( -0.375 -5.151 -2.110) 5.579 4.307 ( 0.383 -5.638 -0.956) 5.731 4.603 ( -3.485 5.572 -4.402) 7.910 5.701 ( 15.330 1.958 5.167) 16.295 6.561 ( -1.851 -3.660 -1.518) 4.373 7.036 ( -3.882 0.667 -1.071) 4.081 8.123 ( 1.840 4.389 4.018) 6.229 8.193 ( -6.916 1.401 1.505) 7.215 8.578 ( -6.162 -6.296 -2.977) 9.299 9.065 ( -4.170 2.671 -0.926) 5.038 9.080 ( 1.299 -3.503 2.368) 4.423 9.920 ( 11.759 3.055 -1.635) 12.258 12.288 ( 0.318 4.988 -1.399) 5.190 13.240 ( -5.083 -9.209 4.900) 11.604 13.754 ( 2.853 -5.236 1.480) 6.144 13.850 ( -4.005 7.400 -4.366) 9.479 14.441 ( 3.293 1.709 2.467) 4.455 14.921 ( -11.509 7.027 4.747) 14.296 15.711 ( -6.565 -6.841 5.028) 10.732 16.102 ( -1.187 9.353 -6.853) 11.655 16.650 ( 14.300 -9.582 -3.172) 17.503 17.628 ( -0.052 1.944 -3.913) 4.369 17.735 ( 1.828 -1.706 3.358) 4.186 17.944 ( -0.302 1.959 0.462) 2.036 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -5.087 3.777 -0.264) 6.341 2.493 ( -0.032 -4.814 1.822) 5.147 2.712 ( -0.178 -2.631 -1.591) 3.080 2.908 ( 6.808 -7.803 -0.110) 10.356 2.968 ( -0.876 9.507 0.362) 9.554 3.328 ( -5.833 7.865 0.951) 9.838 3.671 ( 4.739 0.886 2.150) 5.279 4.262 ( 0.582 -3.626 -1.157) 3.850 4.583 ( 0.307 0.952 -1.761) 2.025 5.963 ( 15.934 -6.960 2.373) 17.549 6.416 ( -14.301 2.667 -2.969) 14.848 6.988 ( -0.118 -1.212 -0.140) 1.226 8.089 ( -4.597 -0.612 0.041) 4.638 8.226 ( -4.350 8.747 3.082) 10.243 8.422 ( 0.629 -7.157 -3.516) 7.999 8.958 ( -5.409 -1.019 2.517) 6.052 9.162 ( 4.529 0.944 -1.100) 4.756 10.129 ( 9.003 4.322 0.387) 9.994 12.346 ( 1.593 4.361 -0.564) 4.677 13.062 ( -8.029 -8.387 4.383) 12.411 13.700 ( -5.532 3.059 -8.492) 10.586 13.830 ( 0.972 -3.370 0.408) 3.531 14.542 ( 8.504 -7.587 3.858) 12.032 14.814 ( -12.046 9.487 1.468) 15.403 15.507 ( -11.304 -3.987 -1.228) 12.049 16.180 ( 1.380 8.581 -1.657) 8.848 16.795 ( 14.008 -8.007 1.204) 16.180 17.626 ( 0.192 2.215 -3.541) 4.181 17.776 ( 1.910 -1.431 4.045) 4.696 17.960 ( -0.591 2.435 -0.353) 2.530 ======================= Grid point 52 (44/226) ======================= q-point: (-0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -7.710 2.941 -2.116) 8.519 2.466 ( -1.375 -1.193 3.020) 3.526 2.647 ( 1.468 -7.818 -3.757) 8.797 2.844 ( -6.460 -5.377 0.708) 8.434 3.094 ( 4.679 6.878 0.643) 8.343 3.346 ( 0.356 5.993 -2.184) 6.389 3.842 ( 8.320 6.300 2.715) 10.783 4.261 ( 0.808 1.008 2.084) 2.452 4.616 ( 4.487 -1.554 -0.301) 4.758 6.018 ( -8.797 -13.814 0.090) 16.377 6.220 ( -0.837 5.792 -0.911) 5.923 7.005 ( 2.141 0.246 0.383) 2.189 8.030 ( -2.104 0.460 -1.216) 2.473 8.110 ( -11.900 1.360 -1.426) 12.062 8.498 ( 10.322 -0.407 -0.745) 10.357 8.902 ( -2.063 -1.349 3.040) 3.914 9.223 ( 2.359 1.267 -1.752) 3.200 10.283 ( 3.430 4.340 1.295) 5.681 12.404 ( 0.764 3.790 0.215) 3.872 12.919 ( -2.831 -5.282 2.569) 6.520 13.572 ( -5.978 1.453 -6.099) 8.663 13.791 ( -1.180 -4.713 -1.394) 5.055 14.509 ( -6.329 -7.463 1.010) 9.838 14.814 ( 2.187 6.828 -1.459) 7.317 15.295 ( -9.351 -2.223 1.686) 9.758 16.257 ( 2.767 2.890 -3.404) 5.253 16.973 ( 11.431 -3.192 5.327) 13.009 17.635 ( 0.247 2.837 -2.530) 3.809 17.810 ( 0.747 -1.890 4.504) 4.941 17.960 ( -1.263 2.344 -2.587) 3.712 ======================= Grid point 53 (45/226) ======================= q-point: (-0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -11.646 5.361 -0.165) 12.822 2.437 ( -2.842 -4.612 0.621) 5.453 2.572 ( 2.649 -12.122 -3.804) 12.978 2.692 ( -7.089 5.206 2.097) 9.042 3.235 ( 6.764 1.642 0.525) 6.981 3.418 ( 4.687 4.101 -4.156) 7.487 4.040 ( 7.132 6.211 -2.138) 9.696 4.327 ( -0.311 3.601 7.676) 8.484 4.685 ( 5.714 -1.465 -0.830) 5.957 5.613 ( -27.428 -0.604 2.724) 27.570 6.340 ( 12.940 -7.211 -0.594) 14.825 7.054 ( 1.038 2.963 1.248) 3.378 7.910 ( -10.316 -0.887 -1.917) 10.530 8.009 ( -0.498 0.640 -1.978) 2.137 8.674 ( 11.267 0.213 -1.693) 11.395 8.899 ( 1.403 -2.364 3.126) 4.163 9.236 ( -0.849 1.454 -2.379) 2.914 10.337 ( -2.197 3.538 1.942) 4.596 12.455 ( -0.125 6.012 0.502) 6.034 12.902 ( 2.783 -3.193 2.839) 5.099 13.483 ( -1.909 0.231 -2.815) 3.409 13.673 ( -3.932 -7.916 -4.019) 9.710 14.287 ( -14.268 -1.305 0.480) 14.336 14.863 ( -2.547 4.918 -5.192) 7.592 15.236 ( 2.992 -3.550 7.127) 8.505 16.280 ( 4.409 -3.902 -6.816) 9.007 17.178 ( 8.770 2.655 8.298) 12.362 17.657 ( 0.090 3.360 -1.263) 3.590 17.809 ( -1.526 -2.573 3.868) 4.890 17.932 ( -1.431 1.415 -5.022) 5.410 ======================= Grid point 54 (46/226) ======================= q-point: (-0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -14.731 8.489 3.652) 17.389 2.219 ( -12.564 -6.644 -2.501) 14.431 2.531 ( 0.375 -1.694 0.988) 1.997 2.764 ( 9.820 -0.081 -0.487) 9.833 3.356 ( 7.906 -2.606 0.773) 8.360 3.528 ( 7.513 3.505 -5.161) 9.765 4.165 ( 3.825 3.605 -2.624) 5.875 4.341 ( -8.668 3.677 6.234) 11.292 4.757 ( 4.264 0.484 -2.572) 5.004 5.208 ( -25.035 3.008 7.758) 26.382 6.483 ( 13.267 -7.736 -0.945) 15.387 7.101 ( -1.565 4.658 2.363) 5.452 7.748 ( -6.232 -0.993 -1.008) 6.390 7.996 ( -0.032 -0.442 -1.551) 1.613 8.836 ( 9.853 -0.761 -3.630) 10.528 8.932 ( 4.071 -4.371 1.858) 6.256 9.205 ( -2.552 2.174 -1.578) 3.705 10.326 ( -4.338 3.611 3.265) 6.521 12.526 ( -1.211 10.198 0.841) 10.304 12.945 ( 3.246 -4.557 3.914) 6.828 13.424 ( -8.708 -0.956 -10.364) 13.571 13.530 ( 6.387 -10.438 3.532) 12.736 14.056 ( -15.156 3.401 2.496) 15.732 14.807 ( -6.507 6.899 -1.814) 9.656 15.347 ( 8.637 -5.296 6.065) 11.808 16.254 ( 5.580 -7.670 -9.732) 13.590 17.414 ( 7.814 6.515 9.378) 13.836 17.673 ( -1.418 1.865 -1.006) 2.549 17.758 ( -3.140 -1.527 0.201) 3.497 17.883 ( -1.338 -0.263 -4.435) 4.640 ======================= Grid point 56 (47/226) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -8.760 7.977 3.751) 12.427 2.165 ( -7.633 12.840 4.713) 15.663 2.413 ( 2.970 -6.431 0.038) 7.083 2.909 ( 10.232 -1.989 -2.606) 10.744 3.359 ( 4.362 -4.992 1.303) 6.756 3.586 ( 8.544 -4.497 -3.964) 10.437 4.074 ( -7.194 -6.558 3.173) 10.239 4.459 ( 0.778 4.939 -3.496) 6.101 4.730 ( -1.882 -4.949 -2.463) 5.840 5.167 ( -20.787 16.805 5.766) 27.344 6.497 ( 13.919 -6.227 -0.559) 15.258 7.117 ( -5.594 -1.732 -0.738) 5.903 7.808 ( 1.758 5.709 5.629) 8.208 7.979 ( 1.368 -0.249 1.856) 2.319 8.752 ( 1.408 -7.902 -3.352) 8.698 8.912 ( 4.088 2.349 -4.020) 6.196 9.247 ( 0.704 -0.797 1.635) 1.950 10.391 ( -3.359 0.723 1.277) 3.665 12.695 ( -3.166 -7.866 1.007) 8.539 12.897 ( -0.797 -0.490 -2.858) 3.007 13.159 ( -1.139 16.934 -4.074) 17.455 13.607 ( 6.438 -8.707 12.764) 16.739 14.085 ( -8.266 9.057 3.728) 12.816 14.955 ( -0.200 5.553 -0.446) 5.574 15.381 ( 7.946 -7.512 3.615) 11.516 16.059 ( 3.521 1.175 -3.670) 5.220 17.362 ( -9.308 -7.161 -8.399) 14.438 17.728 ( -0.365 -0.065 -1.711) 1.751 17.807 ( -0.515 1.273 -1.265) 1.867 17.872 ( 4.950 2.750 5.254) 7.725 ======================= Grid point 57 (48/226) ======================= q-point: ( 0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -3.939 12.841 6.946) 15.121 2.207 ( -6.282 13.873 4.179) 15.792 2.414 ( 2.806 -3.572 1.104) 4.675 2.962 ( 2.419 -5.003 -5.677) 7.944 3.389 ( 4.973 -8.537 1.804) 10.043 3.662 ( 10.279 -7.430 -3.535) 13.167 3.911 ( -6.705 -5.320 0.984) 8.616 4.483 ( 2.170 0.668 -8.936) 9.220 4.608 ( -1.734 -8.650 1.776) 8.999 5.071 ( -19.924 25.231 6.704) 32.841 6.657 ( 11.203 -5.842 1.960) 12.786 7.002 ( -5.127 -1.360 -0.661) 5.345 7.911 ( -0.951 5.119 6.324) 8.192 8.062 ( 5.406 2.517 4.075) 7.223 8.677 ( 2.530 -8.096 -5.276) 9.989 8.987 ( 5.153 2.899 -4.506) 7.434 9.243 ( 0.355 -4.458 1.484) 4.712 10.296 ( -8.870 -1.315 -0.109) 8.968 12.586 ( -1.647 -7.442 1.287) 7.730 12.879 ( 0.756 4.169 -3.346) 5.399 13.352 ( 3.368 18.858 -0.447) 19.162 13.659 ( 0.927 -8.443 11.607) 14.383 14.093 ( -4.942 9.865 5.655) 12.398 15.034 ( 3.779 3.206 2.065) 5.369 15.469 ( 7.893 -6.508 4.430) 11.148 16.120 ( 3.149 3.525 -3.173) 5.693 17.060 ( -11.168 -8.052 -10.123) 17.089 17.697 ( -0.717 -1.575 -0.852) 1.929 17.793 ( -1.656 1.173 -1.649) 2.615 17.986 ( 3.338 1.008 1.753) 3.903 ======================= Grid point 58 (49/226) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -2.217 12.633 8.787) 15.547 2.272 ( -1.607 10.823 1.479) 11.041 2.460 ( 2.690 2.319 1.966) 4.059 2.854 ( -3.548 -6.850 -3.755) 8.580 3.345 ( 1.845 -12.483 -1.524) 12.711 3.722 ( 2.807 -3.980 -4.769) 6.816 3.758 ( -1.370 -8.194 -1.399) 8.425 4.407 ( 1.870 -6.703 -8.064) 10.651 4.636 ( 7.180 -2.264 3.924) 8.490 5.049 ( -18.187 27.062 6.256) 33.200 6.735 ( 2.978 -8.976 3.294) 10.014 6.958 ( 0.608 2.860 0.669) 2.999 7.970 ( -1.166 4.965 4.874) 7.055 8.213 ( 4.900 3.196 4.893) 7.627 8.633 ( 5.200 -7.330 -4.679) 10.132 9.076 ( 4.145 3.882 -5.619) 7.989 9.197 ( 1.075 -7.336 1.837) 7.638 10.075 ( -14.031 -2.720 -1.549) 14.376 12.495 ( -2.859 -6.306 2.006) 7.209 12.982 ( 5.129 9.630 -4.201) 11.692 13.586 ( 3.980 13.535 4.433) 14.788 13.652 ( 0.413 -4.048 6.008) 7.257 14.172 ( -0.523 8.075 6.150) 10.164 15.150 ( 4.600 0.986 5.160) 6.983 15.566 ( 5.786 -4.431 6.506) 9.770 16.181 ( 2.393 4.336 -4.766) 6.873 16.731 ( -10.962 -8.583 -9.947) 17.111 17.670 ( -0.086 -1.695 -0.485) 1.765 17.757 ( -2.209 0.632 -1.933) 3.002 18.019 ( 0.284 -0.585 -0.462) 0.798 ======================= Grid point 59 (50/226) ======================= q-point: ( 0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -3.878 7.334 4.465) 9.422 2.383 ( 3.419 6.035 0.479) 6.953 2.561 ( -0.447 6.947 4.492) 8.285 2.720 ( -1.572 -5.952 -1.120) 6.257 3.225 ( 0.421 -11.565 -3.623) 12.126 3.567 ( -5.787 -3.060 -4.729) 8.076 3.746 ( 2.849 -6.642 -1.760) 7.438 4.360 ( 3.641 -5.618 -4.972) 8.339 4.778 ( 6.900 -0.725 2.587) 7.404 5.071 ( -10.535 22.480 5.218) 25.368 6.655 ( -1.943 -9.067 1.709) 9.429 7.047 ( 3.153 3.535 2.223) 5.233 8.028 ( -0.658 4.892 3.169) 5.866 8.317 ( 2.152 0.872 2.902) 3.716 8.664 ( 7.020 -4.081 -1.264) 8.218 9.039 ( -3.832 -3.596 -2.287) 5.731 9.257 ( 8.526 0.170 -1.471) 8.653 9.793 ( -14.556 -2.700 -1.909) 14.927 12.405 ( -3.516 -2.705 1.039) 4.557 13.111 ( 3.763 4.609 -3.273) 6.791 13.691 ( 3.281 0.572 0.256) 3.340 13.789 ( 3.009 8.359 9.556) 13.048 14.290 ( 2.207 6.778 2.854) 7.679 15.252 ( 1.444 1.303 6.753) 7.028 15.644 ( 2.741 -3.405 8.014) 9.129 16.217 ( 1.114 4.936 -8.273) 9.698 16.442 ( -6.296 -9.375 -7.008) 13.291 17.655 ( 0.247 -1.264 -0.312) 1.325 17.715 ( -1.815 0.142 -1.646) 2.454 17.994 ( -1.441 -0.842 -1.056) 1.975 ======================= Grid point 60 (51/226) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -0.973 3.573 1.542) 4.011 2.499 ( 5.260 3.899 -0.744) 6.590 2.550 ( -4.158 -2.249 3.769) 6.046 2.718 ( 0.854 1.364 1.037) 1.915 3.110 ( -0.750 -6.508 -4.164) 7.762 3.478 ( -2.382 1.481 0.345) 2.826 3.695 ( -0.094 -5.311 -1.880) 5.634 4.332 ( 0.749 -3.932 -2.343) 4.638 4.819 ( -5.668 6.990 -0.908) 9.045 5.222 ( 7.763 5.348 4.290) 10.357 6.561 ( -0.843 -5.428 0.376) 5.506 7.118 ( 0.387 2.295 0.715) 2.435 8.076 ( 0.205 2.693 1.912) 3.309 8.343 ( -0.815 -0.068 1.228) 1.475 8.728 ( 1.800 -1.690 0.068) 2.470 8.939 ( -0.936 -2.760 -0.916) 3.055 9.368 ( -0.474 0.788 0.526) 1.060 9.587 ( -1.396 -0.818 -2.453) 2.938 12.349 ( -2.625 1.347 -0.155) 2.954 13.164 ( 3.645 -2.246 -1.041) 4.407 13.733 ( 0.666 -1.326 2.213) 2.664 13.943 ( 0.367 7.146 3.525) 7.976 14.382 ( 1.832 2.451 0.382) 3.084 15.283 ( -6.222 6.228 3.212) 9.371 15.699 ( 3.635 -6.254 8.778) 11.374 16.195 ( -3.324 6.711 -10.543) 12.932 16.306 ( 4.183 -9.212 -1.542) 10.234 17.646 ( -0.399 0.363 -1.273) 1.383 17.690 ( 0.090 -0.879 0.293) 0.931 17.962 ( -0.940 -0.033 -0.352) 1.004 ======================= Grid point 61 (52/226) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 1.974 1.921 0.838) 2.879 2.477 ( -2.242 -4.978 0.981) 5.547 2.628 ( 7.205 2.099 -0.654) 7.533 2.721 ( -1.123 -1.606 -0.328) 1.987 3.049 ( -1.702 2.227 -0.797) 2.914 3.491 ( -0.469 2.961 3.045) 4.273 3.641 ( -2.044 -0.253 -0.287) 2.079 4.285 ( -2.046 -1.672 0.313) 2.661 4.744 ( -8.742 6.085 -3.160) 11.110 5.421 ( 15.080 -8.964 1.795) 17.634 6.546 ( 1.017 2.098 -1.099) 2.578 7.102 ( -3.411 0.242 -1.421) 3.703 8.113 ( 2.018 -1.163 1.243) 2.640 8.311 ( -3.821 1.637 0.503) 4.187 8.645 ( -7.418 -1.478 -1.898) 7.798 8.983 ( 5.506 0.535 0.265) 5.539 9.239 ( -10.614 -0.662 2.683) 10.968 9.731 ( 13.154 2.608 -0.698) 13.428 12.344 ( -1.055 4.574 -0.925) 4.784 13.182 ( 2.664 -6.401 1.481) 7.090 13.715 ( -1.590 -4.147 4.332) 6.205 13.950 ( -4.324 4.044 -7.509) 9.562 14.402 ( 1.045 -3.964 1.840) 4.493 15.214 ( -10.830 9.480 -1.679) 14.490 15.722 ( 0.513 -7.718 4.471) 8.934 16.182 ( -1.552 9.699 -4.449) 10.783 16.341 ( 10.225 -8.213 1.042) 13.156 17.635 ( -0.732 1.635 -1.989) 2.676 17.706 ( 1.853 -1.225 2.154) 3.094 17.963 ( 0.244 1.072 0.666) 1.285 ======================= Grid point 63 (53/226) ======================= q-point: (-0.36 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -1.786 2.416 -0.302) 3.020 2.398 ( 2.126 -7.567 -1.636) 8.029 2.638 ( -1.469 -7.948 -3.419) 8.776 2.764 ( 7.226 -0.061 1.396) 7.360 3.087 ( -1.625 9.686 1.936) 10.011 3.550 ( -4.731 9.584 3.164) 11.147 3.627 ( 1.749 1.315 2.145) 3.064 4.256 ( -1.505 0.841 2.718) 3.218 4.634 ( -6.326 2.663 -3.306) 7.618 5.558 ( 17.300 -19.022 -0.875) 25.727 6.588 ( -2.400 8.576 -2.955) 9.383 7.014 ( -4.179 -1.328 -1.369) 4.593 8.107 ( 0.158 -4.673 -1.084) 4.800 8.294 ( -0.110 1.726 -0.543) 1.813 8.483 ( -10.069 2.187 -0.869) 10.340 9.066 ( -1.540 -2.489 4.889) 5.698 9.113 ( -2.021 3.745 -1.256) 4.437 9.990 ( 13.174 3.861 1.334) 13.793 12.385 ( 0.174 6.476 -0.996) 6.554 13.113 ( -4.320 -9.420 4.057) 11.129 13.684 ( 0.984 -1.495 -2.340) 2.946 13.822 ( -5.094 -2.016 -8.578) 10.178 14.379 ( 3.070 -9.377 1.514) 9.983 15.106 ( -11.259 9.389 -2.597) 14.888 15.614 ( -6.726 -4.200 -1.048) 7.998 16.221 ( -0.018 3.554 -2.762) 4.501 16.523 ( 14.042 -1.566 6.543) 15.571 17.634 ( -0.330 2.224 -1.499) 2.702 17.747 ( 2.459 -1.100 2.761) 3.858 17.987 ( 0.074 1.686 0.806) 1.870 ======================= Grid point 64 (54/226) ======================= q-point: (-0.27 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -4.493 -1.981 -2.711) 5.609 2.408 ( 5.149 -5.025 -2.935) 7.770 2.503 ( -1.346 -9.956 -3.460) 10.626 2.864 ( 2.619 -0.933 3.725) 4.648 3.176 ( -2.089 11.174 2.422) 11.623 3.501 ( -9.486 8.359 -0.480) 12.653 3.784 ( 7.539 6.281 2.422) 10.107 4.299 ( 0.567 3.997 6.751) 7.866 4.571 ( -0.846 1.087 -2.571) 2.917 5.625 ( 17.133 -24.147 -2.732) 29.734 6.532 ( -13.141 9.839 -3.112) 16.709 6.979 ( 1.609 0.266 0.238) 1.648 8.046 ( -1.040 -2.644 -2.505) 3.788 8.215 ( -4.919 -6.367 -6.309) 10.225 8.452 ( -1.342 9.020 4.171) 10.027 8.978 ( -5.721 -2.099 4.865) 7.798 9.185 ( 3.098 3.108 -1.324) 4.584 10.229 ( 9.204 3.955 1.770) 10.173 12.451 ( 0.195 6.902 -0.249) 6.909 12.953 ( -5.627 -7.359 3.247) 9.816 13.624 ( -5.227 -1.737 -8.508) 10.136 13.709 ( 2.004 -5.045 -3.732) 6.587 14.353 ( 6.022 -11.702 -1.940) 13.302 15.001 ( -9.610 7.923 -0.935) 12.490 15.443 ( -9.403 -1.101 -0.403) 9.476 16.210 ( 0.538 -2.079 -4.251) 4.763 16.812 ( 12.958 3.587 9.186) 16.283 17.649 ( 0.122 2.671 -0.671) 2.757 17.792 ( 2.135 -1.439 2.985) 3.942 17.993 ( -1.546 1.368 -0.605) 2.152 ======================= Grid point 65 (55/226) ======================= q-point: (-0.18 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -0.971 -1.726 -2.560) 3.237 2.369 ( -2.491 -7.335 -2.309) 8.083 2.418 ( 4.317 -5.625 -3.123) 7.748 2.853 ( -5.685 0.130 2.511) 6.216 3.243 ( -1.850 7.127 1.959) 7.619 3.447 ( -4.397 6.464 -0.546) 7.836 3.973 ( 7.041 7.146 -2.281) 10.288 4.409 ( 0.794 2.373 10.747) 11.035 4.602 ( 3.658 3.677 -2.479) 5.749 5.629 ( 12.094 -22.516 -3.029) 25.737 6.357 ( -14.692 7.975 -0.307) 16.720 7.051 ( 3.759 3.057 1.019) 4.952 7.998 ( -0.854 -3.423 -4.277) 5.544 8.018 ( -6.678 -2.905 -4.051) 8.334 8.573 ( 3.555 6.471 2.253) 7.720 8.911 ( -3.013 -2.484 4.130) 5.684 9.236 ( 1.092 1.906 -1.403) 2.607 10.371 ( 3.002 2.621 1.169) 4.153 12.524 ( 0.445 7.683 1.109) 7.775 12.875 ( -0.347 -2.142 2.468) 3.286 13.459 ( -2.332 -11.534 -0.655) 11.785 13.646 ( -3.122 1.151 -11.033) 11.523 14.314 ( 3.105 -9.515 -3.946) 10.759 14.946 ( -4.271 5.417 0.428) 6.912 15.302 ( -7.477 0.446 2.701) 7.962 16.154 ( 0.619 -5.098 -5.472) 7.504 17.113 ( 10.669 6.218 9.553) 15.613 17.679 ( 0.432 2.854 0.205) 2.894 17.818 ( 0.574 -2.373 3.384) 4.173 17.949 ( -3.038 0.346 -3.758) 4.845 ======================= Grid point 66 (56/226) ======================= q-point: (-0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -2.958 1.893 -0.007) 3.512 2.251 ( -4.480 -3.227 -0.052) 5.521 2.419 ( 5.345 -6.243 -3.518) 8.940 2.756 ( -5.266 0.829 0.432) 5.348 3.287 ( 0.603 2.246 1.614) 2.831 3.464 ( 0.683 3.661 -1.192) 3.911 4.122 ( 4.832 6.453 -3.133) 8.649 4.456 ( -1.182 -3.354 7.626) 8.414 4.708 ( 3.300 5.915 -1.198) 6.878 5.537 ( -3.986 -9.192 -0.052) 10.019 6.263 ( -0.574 0.674 0.297) 0.933 7.150 ( 2.432 4.020 1.706) 4.999 7.826 ( -5.933 -3.741 -3.490) 7.834 7.981 ( -0.025 -0.421 -1.971) 2.016 8.704 ( 4.988 3.918 -0.002) 6.343 8.876 ( -0.455 -3.449 2.684) 4.394 9.242 ( -0.792 1.114 -1.305) 1.890 10.408 ( -0.865 1.499 1.017) 2.007 12.636 ( 1.157 10.740 1.315) 10.882 12.896 ( 1.443 -1.607 3.372) 4.004 13.336 ( 2.502 -16.340 1.650) 16.612 13.509 ( -6.554 4.689 -11.125) 13.737 14.228 ( -3.187 -3.887 -1.279) 5.187 14.946 ( -2.652 5.255 -1.225) 6.012 15.255 ( -0.207 -1.801 5.252) 5.556 16.081 ( 1.287 -5.395 -5.854) 8.064 17.394 ( 8.853 7.121 8.263) 14.049 17.707 ( -0.984 0.979 0.756) 1.581 17.796 ( -2.475 -2.318 2.371) 4.137 17.871 ( -1.632 -0.590 -6.009) 6.255 ======================= Grid point 135 (57/226) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 0.000 0.000 21.195) 21.195 0.384 ( 0.000 0.000 21.195) 21.195 0.893 ( 0.000 -0.000 48.269) 48.269 3.102 ( -0.000 0.000 -2.039) 2.039 3.839 ( -0.000 0.000 -10.525) 10.525 3.839 ( -0.000 -0.000 -10.525) 10.525 4.445 ( 0.000 0.000 6.406) 6.406 4.445 ( 0.000 -0.000 6.406) 6.406 4.544 ( -0.000 0.000 -3.247) 3.247 5.826 ( -0.000 0.000 -4.010) 4.010 6.657 ( 0.000 0.000 0.484) 0.484 6.657 ( 0.000 0.000 0.484) 0.484 8.020 ( 0.000 0.000 0.514) 0.514 8.020 ( 0.000 0.000 0.514) 0.514 8.634 ( 0.000 0.000 1.751) 1.751 8.634 ( 0.000 -0.000 1.751) 1.751 9.914 ( 0.000 -0.000 0.508) 0.508 10.316 ( -0.000 0.000 -0.829) 0.829 12.188 ( 0.000 0.000 -0.038) 0.038 12.188 ( 0.000 0.000 -0.038) 0.038 13.005 ( 0.000 0.000 1.434) 1.434 13.005 ( 0.000 -0.000 1.434) 1.434 14.543 ( 0.000 0.000 4.677) 4.677 14.543 ( 0.000 -0.000 4.677) 4.677 15.634 ( 0.000 -0.000 0.944) 0.944 16.694 ( 0.000 -0.000 0.438) 0.438 17.453 ( -0.000 0.000 -2.783) 2.783 17.453 ( -0.000 0.000 -2.783) 2.783 17.694 ( 0.000 -0.000 1.178) 1.178 17.887 ( 0.000 -0.000 0.461) 0.461 ======================= Grid point 136 (58/226) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 13.684 18.395 11.324) 25.571 0.879 ( 13.525 6.482 23.016) 27.471 1.557 ( 36.734 17.031 30.024) 50.407 2.998 ( -7.223 -3.140 -3.192) 8.498 3.630 ( -4.815 -6.210 -12.278) 14.577 3.870 ( 3.501 -1.627 -8.781) 9.592 4.222 ( -14.566 -4.231 2.750) 15.415 4.560 ( 6.559 -7.134 1.365) 9.787 4.663 ( 1.573 11.440 1.653) 11.665 5.260 ( -27.650 -16.584 18.961) 37.404 6.661 ( 0.727 1.602 -0.212) 1.772 6.736 ( 4.241 2.971 1.875) 5.507 7.983 ( -2.972 -2.571 1.592) 4.240 8.032 ( -0.043 0.258 1.460) 1.484 8.614 ( 0.981 1.179 -1.328) 2.029 9.004 ( 16.738 8.947 -8.815) 20.927 9.851 ( -6.877 -4.342 0.966) 8.190 10.075 ( -9.229 -6.698 9.060) 14.565 12.208 ( 5.914 -2.086 -1.259) 6.397 12.344 ( 8.187 9.606 2.642) 12.895 12.968 ( -4.837 7.258 -1.597) 8.867 13.436 ( 21.673 5.178 -10.339) 24.565 14.436 ( -12.283 -1.215 9.681) 15.687 14.584 ( 2.405 -4.726 7.360) 9.071 15.657 ( 1.073 0.761 1.724) 2.169 16.678 ( -4.363 1.382 -9.213) 10.287 17.383 ( -4.643 5.574 -4.428) 8.499 17.472 ( 5.884 -2.694 -3.483) 7.349 17.753 ( 4.192 -3.035 3.403) 6.194 17.873 ( -1.071 -0.954 0.686) 1.590 ======================= Grid point 137 (59/226) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 16.103 18.313 6.073) 25.130 1.261 ( 10.980 5.161 22.067) 25.182 2.564 ( 42.361 19.613 17.448) 49.835 2.805 ( -8.778 -2.750 -3.487) 9.837 3.409 ( -5.389 -7.971 -9.598) 13.590 3.826 ( 2.806 -7.258 -9.443) 12.236 3.956 ( -14.500 -3.905 3.251) 15.365 4.520 ( -1.958 -10.059 -2.254) 10.493 4.758 ( -2.569 8.275 -0.326) 8.671 4.974 ( -9.874 -2.077 14.883) 17.981 6.700 ( 1.942 1.396 -0.252) 2.405 6.862 ( 5.031 4.006 2.439) 6.878 7.900 ( -4.816 -4.075 3.338) 7.137 8.037 ( -1.191 0.213 2.606) 2.873 8.669 ( 5.012 2.892 -4.215) 7.159 9.156 ( 1.595 1.335 -4.815) 5.245 9.639 ( -10.657 -7.902 1.822) 13.391 10.061 ( 4.243 -0.095 4.164) 5.946 12.313 ( 11.237 -4.965 -0.754) 12.308 12.644 ( 9.878 15.355 3.775) 18.644 12.960 ( -4.595 10.686 -3.809) 12.239 13.629 ( 7.837 -3.358 -1.578) 8.671 14.261 ( -15.215 -1.069 12.416) 19.667 14.642 ( 5.157 -5.629 7.560) 10.744 15.689 ( -0.438 0.310 3.910) 3.946 16.483 ( -9.834 -0.505 -13.837) 16.983 17.366 ( -1.528 8.181 -7.071) 10.921 17.536 ( 6.921 -2.238 -3.753) 8.185 17.800 ( 3.348 -5.099 4.423) 7.535 17.849 ( -1.090 -1.169 0.836) 1.804 ======================= Grid point 138 (60/226) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 11.414 9.761 10.547) 18.352 1.641 ( 14.321 10.226 9.186) 19.851 2.621 ( -6.781 -1.523 -1.913) 7.208 3.162 ( -5.879 -9.718 -2.894) 11.721 3.530 ( 35.683 18.189 6.879) 40.638 3.670 ( -8.180 -4.335 -5.178) 10.607 3.753 ( -4.124 -9.121 0.521) 10.024 4.337 ( -3.652 -9.578 -4.017) 11.010 4.750 ( -3.123 3.363 -2.501) 5.226 4.980 ( -4.152 7.674 10.379) 13.559 6.719 ( -0.957 -1.156 -0.033) 1.501 7.000 ( 5.046 4.209 2.121) 6.905 7.803 ( -4.024 -4.357 4.614) 7.515 8.029 ( -1.972 0.019 3.091) 3.667 8.763 ( 5.472 3.493 -5.969) 8.819 9.073 ( -6.709 -2.400 -2.327) 7.495 9.408 ( -8.551 -7.516 1.808) 11.527 10.197 ( 8.392 0.960 0.210) 8.449 12.467 ( 13.981 -6.534 -0.000) 15.432 12.910 ( 2.950 9.354 -4.473) 10.780 12.998 ( -3.823 16.283 3.144) 17.019 13.709 ( 7.789 -3.068 3.692) 9.149 14.082 ( -15.248 -0.317 15.848) 21.994 14.729 ( 6.861 -5.503 4.835) 10.037 15.678 ( -4.672 -1.331 6.522) 8.132 16.215 ( -9.043 -1.906 -15.427) 17.983 17.390 ( -0.198 9.298 -8.645) 12.697 17.601 ( 6.549 -3.235 -4.096) 8.375 17.818 ( 0.155 -0.163 -1.227) 1.248 17.833 ( 0.914 -5.058 6.712) 8.454 ======================= Grid point 139 (61/226) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 8.883 8.295 5.119) 13.188 1.989 ( 12.372 5.962 6.928) 15.382 2.530 ( -5.028 1.239 0.896) 5.255 2.933 ( -7.396 -9.159 -2.130) 11.963 3.453 ( -7.428 -5.228 -2.096) 9.322 3.586 ( -3.278 -8.889 -2.887) 9.905 4.146 ( 4.239 6.710 1.032) 8.004 4.274 ( 14.357 0.324 -3.509) 14.783 4.721 ( 0.936 -0.463 -1.434) 1.773 5.117 ( 3.425 13.897 7.627) 16.218 6.601 ( -9.438 -6.467 0.023) 11.441 7.125 ( 3.707 4.113 1.184) 5.662 7.766 ( 0.380 -3.081 5.133) 5.998 8.013 ( -2.014 -0.233 3.145) 3.742 8.814 ( 1.566 2.015 -5.911) 6.439 8.902 ( -7.982 -3.183 -1.776) 8.775 9.272 ( -2.528 -3.541 2.513) 5.025 10.321 ( 6.731 -0.505 -3.187) 7.464 12.630 ( 12.182 -6.357 -0.547) 13.752 12.954 ( 1.577 7.536 -8.961) 11.815 13.056 ( -9.096 8.428 7.483) 14.483 13.836 ( -2.078 -5.724 11.995) 13.452 14.025 ( -0.156 8.540 12.113) 14.821 14.813 ( 7.138 -4.403 0.497) 8.401 15.559 ( -11.317 -3.102 3.066) 12.128 16.017 ( -2.099 -2.038 -8.723) 9.201 17.426 ( -0.035 9.907 -9.439) 13.684 17.634 ( 5.271 -5.283 -3.840) 8.393 17.804 ( -0.952 1.342 -1.557) 2.265 17.853 ( 1.335 -4.039 6.660) 7.903 ======================= Grid point 140 (62/226) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 4.301 4.933 1.947) 6.828 2.237 ( 7.473 0.327 3.217) 8.143 2.416 ( -8.211 -1.364 1.815) 8.519 2.768 ( -3.118 -4.207 0.095) 5.237 3.318 ( -3.072 -1.870 -1.721) 3.987 3.493 ( 0.493 -1.445 0.206) 1.540 4.143 ( 3.421 -4.295 -5.180) 7.548 4.405 ( -1.479 4.538 -3.997) 6.225 4.769 ( 2.786 0.746 1.464) 3.235 5.412 ( 7.795 8.204 2.753) 11.647 6.339 ( -10.453 -5.595 0.900) 11.891 7.198 ( 0.207 2.705 -0.134) 2.716 7.788 ( 0.851 -3.264 4.351) 5.505 8.000 ( -1.164 -0.612 3.349) 3.598 8.775 ( -2.566 -1.077 -0.489) 2.826 8.810 ( 0.512 1.997 -3.688) 4.225 9.259 ( 0.094 -0.612 2.068) 2.159 10.363 ( 3.139 -1.975 -6.082) 7.124 12.696 ( 2.913 -2.796 -5.193) 6.578 12.998 ( -8.780 7.065 4.281) 12.055 13.060 ( 9.724 1.060 -2.003) 9.985 13.729 ( -11.022 -6.257 17.699) 21.769 14.203 ( 1.233 3.327 5.120) 6.230 14.914 ( 8.376 0.425 -0.682) 8.414 15.310 ( -12.416 -3.408 -4.680) 13.700 16.011 ( 4.629 -0.844 2.395) 5.280 17.459 ( -0.564 10.134 -10.435) 14.557 17.634 ( 4.021 -6.227 -2.392) 7.789 17.794 ( -1.352 1.853 -0.999) 2.502 17.876 ( 0.997 -3.062 5.423) 6.307 ======================= Grid point 141 (63/226) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -13.791 -7.321 -0.912) 15.640 2.170 ( -4.043 -3.956 1.994) 5.998 2.465 ( 5.143 -1.061 2.033) 5.631 2.772 ( 3.459 6.245 0.248) 7.143 3.304 ( 2.981 1.900 -1.296) 3.765 3.578 ( 4.563 5.721 3.447) 8.089 4.126 ( 4.425 -6.919 -6.673) 10.582 4.371 ( -2.859 2.861 -3.327) 5.238 4.821 ( -0.326 3.580 2.698) 4.495 5.276 ( -18.395 -14.089 -3.948) 23.504 6.373 ( 9.603 7.977 2.376) 12.708 7.174 ( -4.138 0.239 -1.431) 4.385 7.755 ( -2.790 -3.915 2.854) 5.591 8.004 ( -0.123 -1.106 3.522) 3.693 8.816 ( 5.976 1.936 1.876) 6.556 8.855 ( 3.741 4.584 -2.071) 6.269 9.251 ( -2.163 -0.896 1.895) 3.012 10.314 ( -0.891 -2.933 -8.397) 8.939 12.635 ( -2.538 -0.986 -7.855) 8.313 12.964 ( -5.776 5.757 5.774) 9.992 13.253 ( 13.315 -2.307 0.237) 13.515 13.597 ( -9.405 -5.102 14.419) 17.955 14.135 ( -9.637 -4.812 1.840) 10.928 14.950 ( -9.479 -2.373 -1.124) 9.836 15.204 ( 8.962 4.049 -4.452) 10.795 16.159 ( 9.034 0.911 7.090) 11.520 17.466 ( -1.637 9.285 -12.332) 15.523 17.632 ( 3.686 -5.180 -0.458) 6.374 17.777 ( -2.422 1.385 -0.055) 2.791 17.892 ( 0.614 -2.549 4.415) 5.135 ======================= Grid point 142 (64/226) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -18.737 -8.915 -0.581) 20.758 1.998 ( -11.107 -11.504 3.598) 16.391 2.532 ( 5.149 1.570 -0.012) 5.383 2.971 ( 7.415 11.695 -0.353) 13.852 3.426 ( 8.845 2.593 -1.413) 9.324 3.742 ( 3.608 6.110 2.690) 7.588 3.995 ( -8.351 -12.261 -5.125) 15.695 4.355 ( -1.459 3.979 2.394) 4.868 4.749 ( -14.216 -13.577 -7.720) 21.120 4.873 ( -1.312 2.186 1.681) 3.054 6.629 ( 8.912 5.689 1.118) 10.632 7.061 ( -6.799 -1.784 -2.171) 7.356 7.700 ( -1.291 -1.215 2.128) 2.770 8.013 ( 0.024 -1.319 3.238) 3.497 8.962 ( 7.157 2.511 0.011) 7.585 9.011 ( 6.907 4.974 3.464) 9.189 9.201 ( -2.310 -0.141 0.151) 2.319 10.179 ( -4.585 -3.796 -9.780) 11.449 12.516 ( -4.809 -1.095 -6.906) 8.486 12.967 ( -4.488 2.524 4.847) 7.072 13.370 ( 0.884 -9.355 9.788) 13.569 13.579 ( 6.357 2.410 1.268) 6.916 13.889 ( -14.059 -3.898 3.088) 14.913 14.734 ( -8.872 -3.789 -3.369) 10.219 15.406 ( 9.081 4.927 -0.730) 10.357 16.391 ( 11.373 1.926 7.651) 13.842 17.431 ( -2.645 8.043 -14.742) 17.000 17.652 ( 3.516 -4.300 1.539) 5.764 17.737 ( -3.572 0.511 0.725) 3.681 17.902 ( 0.106 -1.755 3.588) 3.996 ======================= Grid point 143 (65/226) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -20.191 -9.681 2.893) 22.578 1.639 ( -19.001 -14.218 3.732) 24.023 2.696 ( 9.456 5.286 0.249) 10.836 3.050 ( -19.165 -5.579 -3.771) 20.314 3.440 ( -6.194 -2.354 -3.349) 7.424 3.642 ( 9.907 -6.616 1.039) 11.959 3.969 ( 2.991 10.140 4.874) 11.642 4.431 ( 2.014 4.369 5.044) 6.970 4.505 ( 2.029 -6.684 -12.180) 14.041 4.884 ( -2.714 1.694 2.587) 4.114 6.752 ( 1.906 0.299 1.066) 2.204 6.907 ( -7.113 -2.529 -2.390) 7.918 7.740 ( 3.525 2.846 1.700) 4.839 8.018 ( -0.008 -1.379 2.614) 2.956 9.004 ( -6.053 -4.487 5.728) 9.465 9.134 ( 6.480 4.819 -1.290) 8.178 9.313 ( 10.157 5.670 -1.595) 11.741 9.992 ( -5.761 -3.787 -8.658) 11.067 12.384 ( -4.705 -2.119 -4.886) 7.106 12.844 ( -11.910 -5.264 2.018) 13.177 13.310 ( -5.360 -7.472 10.796) 14.181 13.738 ( -1.010 3.576 3.856) 5.355 13.781 ( 8.477 4.133 0.092) 9.431 14.560 ( -5.546 -3.970 -2.161) 7.155 15.560 ( 4.893 2.992 0.331) 5.744 16.647 ( 11.545 2.489 6.078) 13.283 17.358 ( -3.101 7.455 -17.594) 19.358 17.660 ( -0.563 -5.527 3.241) 6.432 17.700 ( -0.537 0.635 1.670) 1.866 17.903 ( -0.415 -1.345 2.502) 2.870 ======================= Grid point 144 (66/226) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -19.434 -9.194 11.695) 24.474 1.171 ( -23.996 -13.870 5.395) 28.237 2.210 ( -45.540 -26.946 -0.187) 52.915 2.906 ( 8.661 5.046 -1.757) 10.176 3.574 ( 10.874 7.007 -5.125) 13.914 3.780 ( 9.007 -1.748 0.748) 9.206 4.157 ( 4.944 8.223 4.530) 10.610 4.448 ( 2.827 -2.396 -7.477) 8.345 4.560 ( 4.313 2.916 9.430) 10.772 4.832 ( -6.008 -0.595 1.994) 6.358 6.741 ( -2.330 -1.556 1.428) 3.145 6.764 ( -5.400 -2.239 -2.017) 6.184 7.864 ( 5.258 4.103 1.408) 6.816 8.018 ( 0.027 -1.295 1.717) 2.151 8.865 ( -8.126 -4.937 5.351) 10.910 9.251 ( 4.633 3.126 -10.978) 12.319 9.512 ( 7.948 3.446 4.206) 9.630 9.863 ( -1.314 -0.869 -2.576) 3.020 12.270 ( -2.656 -3.562 -2.989) 5.355 12.556 ( -15.041 -6.179 1.132) 16.300 13.189 ( -8.555 -3.264 7.454) 11.807 13.842 ( 3.150 1.748 1.356) 3.850 13.990 ( 10.045 6.547 2.711) 12.293 14.459 ( -1.532 -2.842 0.728) 3.310 15.631 ( 1.171 0.944 0.881) 1.743 16.869 ( 7.798 3.585 0.377) 8.591 17.272 ( -1.247 6.744 -17.874) 19.145 17.592 ( -3.466 -2.781 0.824) 4.520 17.726 ( 1.760 -3.999 6.437) 7.780 17.892 ( -0.580 -1.133 0.552) 1.387 ======================= Grid point 147 (67/226) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 12.495 23.391 14.141) 30.054 1.001 ( -5.233 22.571 17.278) 28.902 1.693 ( -3.753 25.734 35.586) 44.076 2.987 ( 1.383 -7.393 -2.688) 7.987 3.513 ( -3.185 -9.594 -13.750) 17.066 3.827 ( -2.470 3.587 -10.007) 10.914 4.339 ( 10.531 -8.420 0.343) 13.488 4.426 ( -12.625 -5.863 2.497) 14.142 4.731 ( 4.494 8.851 2.146) 10.156 5.355 ( -0.208 -28.262 10.965) 30.315 6.672 ( 1.518 2.069 0.604) 2.636 6.718 ( -0.265 3.177 1.640) 3.585 8.002 ( -0.196 -3.166 1.845) 3.670 8.046 ( -0.305 1.674 2.400) 2.942 8.779 ( 13.922 9.257 -2.904) 16.969 8.800 ( -13.927 10.288 -3.761) 17.718 9.855 ( -0.264 -7.598 0.474) 7.617 10.076 ( -1.275 -15.912 6.108) 17.092 12.184 ( -4.496 1.094 -0.705) 4.680 12.346 ( 4.168 11.935 3.590) 13.142 13.109 ( 14.860 7.863 -1.782) 16.907 13.346 ( -12.777 25.332 -8.835) 29.716 14.471 ( 5.231 -12.809 7.257) 15.623 14.637 ( -5.486 -0.142 11.507) 12.749 15.666 ( 0.108 1.479 1.848) 2.369 16.657 ( 3.077 -3.063 -5.882) 7.311 17.262 ( 2.897 -11.220 -3.493) 12.103 17.471 ( -2.434 4.471 -3.233) 6.030 17.796 ( -2.331 5.979 -0.402) 6.430 17.879 ( -0.943 -1.688 2.038) 2.809 ======================= Grid point 148 (68/226) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 4.023 21.485 12.721) 25.291 1.356 ( 5.613 17.415 18.378) 25.933 2.325 ( 24.313 26.889 21.121) 41.955 2.882 ( -4.795 -4.771 -0.041) 6.764 3.286 ( -1.261 -10.678 -13.293) 17.097 3.718 ( -3.304 -3.485 -8.763) 9.993 4.158 ( -13.286 -6.283 1.651) 14.789 4.379 ( 4.361 -10.261 -2.979) 11.540 4.844 ( -0.419 2.919 -0.327) 2.967 5.149 ( -5.386 -9.165 13.007) 16.798 6.701 ( 0.150 2.584 0.220) 2.598 6.825 ( 5.361 3.729 1.822) 6.780 7.952 ( -3.460 -3.350 3.012) 5.680 8.077 ( -0.470 1.596 3.711) 4.067 8.708 ( -5.477 8.002 -2.492) 10.012 9.045 ( 10.198 4.144 -4.857) 12.032 9.699 ( -6.806 -12.204 1.230) 14.027 9.977 ( 2.393 -8.660 2.709) 9.384 12.158 ( 2.333 -1.048 -1.161) 2.809 12.648 ( 9.971 17.368 5.084) 20.662 13.267 ( -9.920 18.835 1.090) 21.315 13.451 ( 9.241 7.728 -8.346) 14.655 14.447 ( 0.687 -15.814 11.049) 19.304 14.602 ( -5.319 1.455 10.665) 12.006 15.707 ( 1.100 1.138 3.152) 3.527 16.551 ( -6.980 -2.278 -11.238) 13.424 17.241 ( 9.889 -11.069 -4.617) 15.545 17.464 ( -1.272 6.210 -4.668) 7.872 17.807 ( -1.678 2.739 2.206) 3.896 17.851 ( -0.919 -2.611 1.884) 3.349 ======================= Grid point 149 (69/226) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 6.026 10.349 14.642) 18.916 1.704 ( 4.537 21.075 10.866) 24.141 2.682 ( -3.976 -3.479 -1.442) 5.476 3.104 ( 0.296 -9.413 -2.544) 9.755 3.201 ( 26.277 18.856 5.589) 32.822 3.579 ( 0.461 -4.710 -7.321) 8.717 3.891 ( -12.489 -6.090 1.726) 14.002 4.261 ( -1.878 -11.292 -4.389) 12.260 4.797 ( -2.597 -1.481 -2.508) 3.902 5.163 ( -2.038 4.409 10.857) 11.893 6.730 ( -0.094 1.720 0.189) 1.733 6.959 ( 5.469 2.840 2.007) 6.481 7.870 ( -5.004 -2.939 4.045) 7.074 8.093 ( -2.226 0.903 4.367) 4.984 8.729 ( 0.718 6.704 -3.021) 7.388 9.102 ( -1.004 -1.800 -3.707) 4.241 9.464 ( -7.665 -11.341 1.670) 13.790 10.022 ( 9.180 -4.021 -2.077) 10.235 12.223 ( 8.243 -2.779 -1.048) 8.761 12.982 ( 3.721 16.882 2.446) 17.459 13.305 ( -8.375 21.929 1.374) 23.514 13.579 ( 7.016 -0.718 0.126) 7.053 14.340 ( -5.911 -12.305 16.137) 21.137 14.633 ( 0.906 -0.177 6.956) 7.017 15.747 ( -0.435 -0.642 5.795) 5.847 16.280 ( -11.808 -1.977 -16.026) 20.005 17.291 ( 10.382 -7.605 -6.604) 14.465 17.489 ( 0.742 5.427 -5.186) 7.543 17.822 ( -0.449 1.364 1.748) 2.262 17.828 ( -0.327 -3.062 3.196) 4.438 ======================= Grid point 150 (70/226) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 6.553 6.153 11.245) 14.396 2.013 ( 3.606 17.888 4.803) 18.870 2.606 ( -2.483 0.094 1.809) 3.074 2.943 ( -5.261 -8.974 -2.004) 10.594 3.370 ( 3.276 -8.797 -9.376) 13.267 3.593 ( -7.944 -10.729 2.102) 13.514 4.016 ( 18.899 11.369 -1.047) 22.080 4.120 ( 1.969 -0.982 0.297) 2.221 4.714 ( -2.500 -3.088 -3.698) 5.428 5.269 ( -0.085 10.309 8.385) 13.289 6.690 ( -6.020 -2.061 0.413) 6.377 7.083 ( 5.584 1.234 2.128) 6.102 7.803 ( -3.408 -0.565 4.374) 5.574 8.077 ( -3.110 -0.046 4.233) 5.253 8.783 ( 0.821 3.163 -3.002) 4.438 8.980 ( -6.033 -3.519 -3.556) 7.837 9.289 ( -3.563 -6.847 2.771) 8.201 10.135 ( 9.909 -2.415 -5.766) 11.716 12.353 ( 11.779 -4.483 -0.380) 12.609 13.069 ( -6.650 12.785 -4.331) 15.048 13.355 ( -9.789 10.220 6.514) 15.579 13.768 ( 9.760 4.824 4.722) 11.867 14.257 ( -4.808 -5.460 18.854) 20.209 14.690 ( 2.630 -1.426 3.989) 4.986 15.717 ( -7.665 -2.903 5.331) 9.777 15.994 ( -6.089 -0.582 -15.604) 16.760 17.351 ( 9.032 -4.560 -7.537) 12.616 17.518 ( 1.037 3.884 -5.354) 6.695 17.816 ( 0.142 -0.249 -0.470) 0.551 17.844 ( 0.176 -1.349 5.097) 5.276 ======================= Grid point 151 (71/226) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 6.476 3.663 5.632) 9.332 2.213 ( 0.638 11.782 2.379) 12.036 2.556 ( -7.587 -1.496 2.328) 8.076 2.778 ( -3.286 -5.382 0.723) 6.347 3.305 ( 0.997 -3.870 -4.787) 6.236 3.434 ( 0.806 -6.162 0.962) 6.288 3.978 ( 2.210 -8.453 -6.911) 11.140 4.442 ( 3.721 8.214 -3.717) 9.753 4.666 ( 6.273 -4.013 1.312) 7.562 5.469 ( 3.202 14.726 4.240) 15.655 6.490 ( -12.662 -5.510 1.652) 13.907 7.180 ( 3.865 -0.677 1.691) 4.272 7.803 ( -0.995 1.564 3.895) 4.313 8.047 ( -2.713 -0.971 3.938) 4.880 8.748 ( -1.432 -4.720 -0.702) 4.982 8.864 ( -3.609 2.490 -3.806) 5.806 9.252 ( 1.056 -1.903 2.451) 3.278 10.213 ( 6.791 -1.779 -8.004) 10.646 12.498 ( 10.839 -6.016 -0.304) 12.401 13.035 ( -4.046 7.768 -5.155) 10.163 13.292 ( -11.366 7.441 6.379) 15.008 13.873 ( -3.065 -6.060 11.338) 13.216 14.338 ( -1.776 5.575 14.362) 15.508 14.762 ( 7.378 -0.779 1.619) 7.593 15.472 ( -14.529 -2.857 -7.528) 16.611 15.945 ( 3.634 0.779 -0.772) 3.796 17.410 ( 7.732 -2.912 -7.365) 11.069 17.528 ( 0.205 3.092 -5.610) 6.409 17.821 ( 0.112 1.643 -1.045) 1.950 17.861 ( 0.415 -2.569 4.948) 5.591 ======================= Grid point 152 (72/226) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -6.210 -4.843 0.928) 7.930 2.274 ( -4.689 4.521 0.778) 6.560 2.433 ( -2.867 -1.351 4.469) 5.479 2.767 ( 3.185 4.185 0.007) 5.259 3.276 ( 0.568 -0.652 -1.003) 1.324 3.517 ( 9.191 1.001 1.338) 9.341 3.910 ( 4.560 -8.386 -7.613) 12.210 4.409 ( -2.453 0.163 -5.473) 5.999 4.798 ( 6.603 -0.691 2.801) 7.206 5.502 ( -16.350 1.926 -1.925) 16.575 6.356 ( 1.159 3.212 3.967) 5.234 7.203 ( -0.339 -2.419 0.569) 2.508 7.805 ( -3.335 0.292 3.038) 4.521 8.023 ( -1.272 -1.833 3.966) 4.550 8.732 ( 4.597 -1.974 1.312) 5.172 8.850 ( 0.525 3.826 -2.818) 4.781 9.271 ( 0.355 -0.801 1.435) 1.681 10.224 ( 2.273 -0.920 -9.189) 9.510 12.552 ( 3.311 -5.710 -3.353) 7.403 13.072 ( 6.038 1.235 -1.265) 6.292 13.226 ( -10.127 9.611 5.386) 14.964 13.764 ( -8.336 -9.557 12.648) 17.911 14.328 ( -11.185 1.001 8.593) 14.140 14.961 ( 9.757 1.531 2.132) 10.104 15.173 ( -9.933 -0.634 -8.411) 13.031 16.069 ( 7.555 2.547 3.942) 8.894 17.459 ( 5.696 -0.460 -8.710) 10.417 17.520 ( 0.104 1.304 -4.082) 4.286 17.827 ( -1.542 2.373 -0.956) 2.987 17.873 ( 1.188 -2.950 4.064) 5.161 ======================= Grid point 153 (73/226) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -15.563 -8.279 1.371) 17.682 2.162 ( -12.038 0.257 3.305) 12.486 2.459 ( 3.708 -1.011 1.890) 4.283 2.950 ( 7.979 11.474 -1.318) 14.038 3.299 ( 4.863 -2.720 -0.551) 5.599 3.693 ( 8.406 -0.075 -3.003) 8.927 3.884 ( 4.408 -2.966 -3.938) 6.614 4.367 ( 1.126 -0.758 -3.034) 3.324 4.879 ( 0.814 -1.954 0.277) 2.135 5.034 ( -28.757 -4.718 0.658) 29.149 6.547 ( 9.006 6.556 1.761) 11.278 7.133 ( -4.675 -2.978 -0.545) 5.570 7.749 ( -4.074 -0.800 3.145) 5.208 8.018 ( -0.073 -2.168 3.799) 4.374 8.868 ( 8.717 1.379 3.450) 9.476 8.921 ( 6.280 3.811 -3.652) 8.203 9.250 ( -2.494 -1.323 0.724) 2.914 10.157 ( -2.853 -0.226 -9.510) 9.931 12.483 ( -1.243 -4.331 -6.334) 7.773 13.165 ( -1.144 -0.894 8.533) 8.656 13.259 ( 3.004 7.975 0.658) 8.547 13.601 ( -6.883 -9.039 8.771) 14.353 14.149 ( -14.870 -1.420 7.974) 16.933 14.831 ( -10.540 -3.385 -6.782) 12.983 15.287 ( 11.049 4.438 2.397) 12.146 16.274 ( 10.062 3.471 4.731) 11.648 17.454 ( -0.701 5.816 -15.219) 16.307 17.536 ( 4.348 -4.832 2.699) 7.038 17.799 ( -2.966 0.773 -0.136) 3.069 17.892 ( 1.100 -1.251 1.942) 2.558 ======================= Grid point 154 (74/226) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -18.851 -8.235 4.882) 21.142 1.918 ( -19.465 -2.191 5.476) 20.339 2.575 ( 8.775 1.935 0.596) 9.006 3.150 ( 3.721 7.931 -5.776) 10.493 3.392 ( 11.473 -5.741 1.452) 12.911 3.596 ( -13.358 -5.994 -6.814) 16.148 3.989 ( 5.179 4.865 0.916) 7.164 4.350 ( 0.313 -5.923 -7.563) 9.611 4.552 ( -11.598 1.786 4.985) 12.750 4.950 ( -0.829 0.475 4.146) 4.255 6.716 ( 4.452 2.541 0.589) 5.160 7.003 ( -6.981 -1.912 -0.892) 7.293 7.730 ( 0.537 -0.092 3.462) 3.504 8.021 ( 0.089 -1.880 3.229) 3.737 8.997 ( 3.911 0.916 -1.533) 4.299 9.099 ( 8.560 0.715 2.855) 9.052 9.201 ( 1.313 1.180 -2.180) 2.806 10.024 ( -6.380 0.897 -7.921) 10.210 12.370 ( -2.859 -3.481 -6.497) 7.905 13.116 ( -14.011 2.501 7.571) 16.120 13.328 ( 0.550 -5.355 7.174) 8.969 13.605 ( 9.587 0.314 3.521) 10.218 13.945 ( -11.917 -2.072 6.899) 13.925 14.616 ( -7.593 -2.242 -4.458) 9.087 15.495 ( 7.521 2.600 2.828) 8.445 16.513 ( 11.339 3.597 3.624) 12.436 17.382 ( -2.763 6.389 -16.963) 18.336 17.581 ( 3.838 -5.783 5.567) 8.898 17.748 ( -3.290 0.634 -1.436) 3.645 17.901 ( 0.229 -0.997 0.513) 1.144 ======================= Grid point 155 (75/226) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -18.677 -7.391 11.995) 23.395 1.560 ( -25.104 -2.719 7.428) 26.321 2.747 ( -0.213 -0.029 -2.781) 2.790 2.823 ( -30.105 -6.191 1.585) 30.776 3.428 ( 5.315 3.699 -11.598) 13.283 3.582 ( 12.207 -0.353 3.415) 12.680 4.099 ( 7.325 -3.143 -1.305) 8.077 4.315 ( 5.736 2.233 -6.605) 9.028 4.607 ( 1.685 4.304 10.881) 11.822 4.934 ( -3.930 -1.107 3.781) 5.565 6.750 ( -1.108 -0.860 0.298) 1.434 6.876 ( -6.891 0.646 0.200) 6.924 7.802 ( 5.230 -0.274 2.949) 6.010 8.024 ( -0.115 -0.949 2.423) 2.605 8.938 ( -5.347 -5.761 -1.617) 8.025 9.181 ( 2.890 3.139 -3.453) 5.489 9.383 ( 12.622 2.508 1.336) 12.937 9.906 ( -5.113 3.425 -2.952) 6.826 12.256 ( -3.101 -2.061 -4.862) 6.124 12.866 ( -20.243 0.893 4.895) 20.845 13.308 ( -3.816 -6.038 9.664) 12.017 13.780 ( 1.493 -6.112 -1.307) 6.426 13.901 ( 9.760 5.066 7.075) 13.075 14.490 ( -4.194 -0.450 0.082) 4.219 15.616 ( 3.258 0.794 2.628) 4.261 16.737 ( 10.294 1.553 -1.246) 10.485 17.302 ( -2.848 9.708 -15.852) 18.805 17.604 ( 0.107 -5.416 6.420) 8.400 17.694 ( -1.132 -1.176 -1.666) 2.332 17.887 ( -0.417 -1.178 -0.705) 1.435 ======================= Grid point 158 (76/226) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -3.083 22.844 9.740) 25.024 1.363 ( -5.171 11.969 21.319) 24.990 2.433 ( -25.404 31.423 21.947) 45.983 2.818 ( 5.886 -8.145 -3.770) 10.733 3.394 ( -0.110 -6.826 -11.191) 13.109 3.843 ( -1.538 4.638 -11.494) 12.489 4.073 ( 11.734 -8.898 2.588) 14.952 4.547 ( -9.121 -9.793 1.758) 13.498 4.699 ( 7.614 4.766 -1.233) 9.066 5.084 ( 9.445 -16.971 9.822) 21.765 6.697 ( -0.606 3.593 1.453) 3.923 6.806 ( -4.677 2.486 1.661) 5.551 7.964 ( 2.319 -4.070 4.079) 6.211 8.078 ( 1.498 2.438 3.015) 4.157 8.689 ( 4.419 7.774 -4.327) 9.934 9.058 ( -8.541 3.743 -3.823) 10.078 9.722 ( 5.699 -10.092 0.592) 11.605 10.026 ( -4.061 -6.940 4.335) 9.135 12.357 ( -11.228 6.915 -1.110) 13.233 12.464 ( -2.588 8.255 5.938) 10.493 12.959 ( 9.770 9.132 -5.765) 14.563 13.679 ( -5.545 15.314 -2.420) 16.466 14.291 ( 5.116 -16.244 9.678) 19.589 14.776 ( -1.158 3.514 11.805) 12.371 15.702 ( -0.801 0.562 3.697) 3.824 16.456 ( 8.376 -6.523 -9.154) 14.018 17.157 ( -4.646 -9.732 -5.363) 12.044 17.537 ( -2.435 4.802 -2.659) 6.005 17.826 ( 0.358 0.606 -2.763) 2.851 17.927 ( -0.479 3.362 3.056) 4.569 ======================= Grid point 159 (77/226) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 6.250 21.530 12.601) 25.718 1.572 ( 2.078 16.089 16.529) 23.160 2.568 ( -6.144 24.293 12.248) 27.891 2.834 ( 5.163 -2.213 3.975) 6.881 3.193 ( -6.602 -6.023 -10.452) 13.751 3.724 ( -6.002 -1.493 -10.157) 11.892 4.160 ( 8.019 -9.550 -1.737) 12.591 4.294 ( -11.100 -9.542 1.800) 14.748 4.812 ( 3.443 -2.129 -2.351) 4.681 5.115 ( 6.028 -9.525 9.316) 14.623 6.745 ( -1.258 3.914 0.860) 4.201 6.807 ( 1.794 3.517 2.290) 4.564 7.967 ( -0.062 -3.608 3.952) 5.352 8.141 ( -0.463 3.497 4.481) 5.703 8.828 ( 3.479 4.404 -7.186) 9.118 8.967 ( -2.921 8.005 -0.551) 8.539 9.647 ( -1.338 -13.316 0.843) 13.410 9.894 ( -2.471 -9.812 2.334) 10.384 12.207 ( -7.847 2.114 -0.594) 8.148 12.710 ( 8.330 18.049 6.860) 21.029 13.237 ( 12.876 10.278 -5.472) 17.360 13.701 ( -10.000 20.238 -3.820) 22.895 14.264 ( 4.983 -17.951 8.677) 20.551 14.810 ( -6.177 1.223 14.509) 15.816 15.727 ( 0.177 1.191 3.808) 3.994 16.473 ( 4.738 -5.575 -9.431) 11.936 16.991 ( 1.844 -11.884 -4.118) 12.712 17.526 ( -2.238 5.109 -3.508) 6.589 17.818 ( 0.532 -0.620 -2.383) 2.519 17.920 ( -4.090 1.435 2.843) 5.184 ======================= Grid point 160 (78/226) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 1.444 11.366 14.085) 18.157 1.929 ( 4.029 20.038 12.603) 24.013 2.655 ( 1.435 -1.991 -2.463) 3.477 2.948 ( 0.933 -7.827 -9.521) 12.361 3.181 ( 7.017 19.731 12.055) 24.163 3.533 ( -4.487 -3.150 -8.227) 9.886 4.025 ( -10.419 -8.507 0.341) 13.455 4.137 ( 1.116 -8.912 -1.620) 9.126 4.763 ( 0.009 -6.186 -4.234) 7.496 5.232 ( 4.697 0.887 9.132) 10.307 6.757 ( -0.549 2.011 0.555) 2.157 6.913 ( 4.048 3.080 1.940) 5.444 7.943 ( -2.735 -1.574 3.911) 5.025 8.176 ( -2.461 2.462 5.226) 6.279 8.807 ( -3.065 5.069 -2.381) 6.384 9.047 ( 2.549 1.671 -4.607) 5.524 9.466 ( -5.294 -12.628 1.897) 13.824 9.834 ( 5.120 -6.695 -1.341) 8.535 12.147 ( -0.770 1.471 -1.301) 2.109 13.097 ( 8.866 19.504 7.976) 22.861 13.444 ( 6.599 2.820 -2.072) 7.470 13.703 ( -10.798 23.417 -4.357) 26.152 14.223 ( 4.907 -18.646 8.976) 21.268 14.801 ( -6.778 1.714 14.997) 16.547 15.771 ( 0.645 0.554 4.834) 4.908 16.329 ( -7.312 -4.392 -14.080) 16.463 16.969 ( 11.042 -11.580 -3.569) 16.394 17.522 ( -1.238 5.445 -4.634) 7.257 17.804 ( 0.555 -1.572 -1.352) 2.146 17.886 ( -3.018 0.711 3.504) 4.679 ======================= Grid point 161 (79/226) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 1.777 7.268 11.073) 13.363 2.209 ( 0.115 18.383 7.840) 19.985 2.637 ( -0.089 -1.281 2.378) 2.703 2.870 ( 3.536 -5.175 -6.728) 9.196 3.215 ( -3.841 -8.568 -6.971) 11.694 3.592 ( -0.769 -8.557 4.134) 9.534 3.898 ( 2.756 4.629 -5.992) 8.058 4.096 ( 3.228 3.943 4.801) 7.001 4.669 ( -0.662 -6.161 -5.954) 8.593 5.381 ( 3.178 6.530 8.025) 10.823 6.755 ( -2.212 -0.564 0.794) 2.416 7.009 ( 4.442 0.262 1.560) 4.715 7.904 ( -4.251 1.706 3.897) 6.014 8.166 ( -4.083 0.562 4.730) 6.274 8.812 ( -1.464 2.473 -0.589) 2.933 8.990 ( -2.943 -2.884 -5.252) 6.675 9.293 ( -4.048 -8.722 2.766) 10.005 9.909 ( 10.082 -2.374 -4.539) 11.309 12.186 ( 5.046 0.253 -1.002) 5.151 13.321 ( -8.313 13.335 1.941) 15.833 13.529 ( 3.342 -0.049 2.757) 4.333 13.801 ( -1.141 21.921 -0.094) 21.950 14.197 ( 6.231 -15.618 10.111) 19.621 14.805 ( -5.688 1.754 13.908) 15.128 15.808 ( -1.153 -0.894 7.519) 7.659 16.028 ( -11.338 -1.616 -19.007) 22.191 17.049 ( 13.001 -9.776 -4.232) 16.808 17.530 ( -0.340 5.082 -5.488) 7.488 17.795 ( 0.858 -1.545 -0.187) 1.777 17.878 ( -1.326 0.517 3.271) 3.568 ======================= Grid point 162 (80/226) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 2.088 3.595 7.126) 8.250 2.387 ( -1.396 15.631 2.396) 15.875 2.660 ( -2.310 1.311 4.254) 5.014 2.791 ( -5.359 -5.920 0.219) 7.989 3.123 ( 8.775 -5.478 -7.204) 12.606 3.412 ( -5.388 -9.461 1.410) 10.979 3.846 ( 0.249 -7.381 -5.342) 9.114 4.394 ( 10.367 11.183 0.649) 15.263 4.551 ( -0.179 -7.794 -4.622) 9.063 5.580 ( 4.303 13.346 5.205) 14.957 6.644 ( -9.427 -4.395 1.389) 10.494 7.088 ( 5.403 -2.965 1.581) 6.363 7.897 ( -3.325 5.063 3.615) 7.054 8.119 ( -4.167 -0.831 3.904) 5.770 8.731 ( -3.494 -7.010 -1.109) 7.911 8.919 ( -3.001 2.735 -2.999) 5.047 9.219 ( 0.879 -4.130 1.980) 4.664 10.031 ( 8.917 0.335 -5.766) 10.625 12.293 ( 8.360 -1.571 -0.118) 8.507 13.215 ( -11.487 4.485 -1.561) 12.430 13.544 ( -6.237 5.522 3.240) 8.938 13.928 ( -2.253 1.086 5.181) 5.753 14.341 ( 12.566 0.222 9.287) 15.627 14.797 ( -5.673 -0.455 11.912) 13.202 15.639 ( -14.845 -2.008 -10.312) 18.187 15.905 ( 2.422 3.248 -1.234) 4.235 17.147 ( 12.064 -8.054 -4.384) 15.153 17.537 ( -0.269 4.523 -6.128) 7.621 17.804 ( 1.533 -0.573 0.177) 1.646 17.884 ( -0.959 0.324 2.921) 3.092 ======================= Grid point 163 (81/226) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -0.332 -1.769 2.592) 3.156 2.473 ( -9.231 10.621 1.476) 14.149 2.542 ( -6.783 -2.479 4.226) 8.367 2.748 ( 2.734 2.313 -0.214) 3.588 3.234 ( 6.521 0.933 -2.226) 6.953 3.327 ( 5.580 -7.923 -0.609) 9.709 3.768 ( 1.623 -4.647 -3.218) 5.881 4.390 ( -2.284 -3.517 -7.524) 8.614 4.660 ( 9.853 -0.518 2.253) 10.120 5.759 ( -5.193 13.117 -0.584) 14.120 6.434 ( -7.787 -4.730 4.214) 10.038 7.138 ( 3.988 -5.098 0.991) 6.548 7.910 ( -4.205 4.735 2.931) 6.978 8.066 ( -3.436 -1.635 3.340) 5.063 8.643 ( 2.348 -5.217 -0.687) 5.762 8.882 ( -2.421 2.134 -0.669) 3.296 9.237 ( 2.642 -1.482 -0.242) 3.039 10.127 ( 4.871 2.619 -5.860) 8.058 12.403 ( 6.876 -3.518 -0.140) 7.725 13.073 ( -5.554 0.393 -2.088) 5.947 13.497 ( -8.444 6.595 4.277) 11.536 13.861 ( -6.023 -5.936 6.875) 10.899 14.537 ( -2.716 0.629 8.331) 8.785 14.819 ( 6.654 -1.063 6.693) 9.497 15.321 ( -13.785 0.497 -10.344) 17.241 16.016 ( 5.184 5.039 2.623) 7.690 17.237 ( 10.402 -6.680 -4.408) 13.124 17.533 ( -0.701 4.229 -6.069) 7.430 17.834 ( 1.870 0.660 -0.340) 2.012 17.881 ( -1.631 -0.149 2.643) 3.110 ======================= Grid point 164 (82/226) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -10.098 -5.883 1.501) 11.783 2.385 ( -7.686 4.453 1.708) 9.045 2.469 ( -5.392 0.511 4.584) 7.095 2.915 ( 8.009 11.047 -1.190) 13.697 3.209 ( -0.674 -9.404 -0.793) 9.462 3.437 ( 12.691 -3.669 -6.918) 14.912 3.812 ( 5.286 3.537 0.568) 6.386 4.307 ( 0.604 -2.901 -4.046) 5.015 4.793 ( 6.765 -2.236 0.540) 7.145 5.520 ( -28.507 2.561 -0.194) 28.623 6.473 ( 7.602 2.519 3.477) 8.731 7.127 ( 0.430 -5.421 -0.071) 5.438 7.864 ( -7.009 1.847 2.899) 7.807 8.025 ( -1.191 -2.350 2.944) 3.951 8.716 ( 9.843 -0.977 -0.818) 9.925 8.887 ( 0.762 2.061 0.854) 2.358 9.248 ( 0.606 -1.342 -1.916) 2.416 10.161 ( -0.643 4.247 -5.768) 7.191 12.423 ( 0.717 -3.473 -2.673) 4.441 13.051 ( 4.690 -3.090 1.088) 5.721 13.468 ( -5.532 6.644 5.855) 10.442 13.715 ( -9.714 -5.028 5.785) 12.373 14.407 ( -13.117 -4.114 7.398) 15.611 14.895 ( -3.435 -3.313 -7.720) 9.076 15.199 ( 4.022 4.090 4.507) 7.295 16.191 ( 7.531 5.444 2.583) 9.645 17.302 ( 7.822 -5.035 -6.476) 11.335 17.528 ( -0.728 3.780 -3.345) 5.100 17.853 ( -2.554 1.776 -1.303) 3.373 17.871 ( 1.340 -1.101 1.955) 2.614 ======================= Grid point 165 (83/226) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -15.564 -5.327 4.412) 17.032 2.259 ( -15.680 4.274 3.919) 16.718 2.484 ( 3.569 0.593 2.708) 4.519 3.071 ( 3.175 -5.146 -7.328) 9.501 3.190 ( 10.567 2.560 1.632) 10.995 3.538 ( 7.616 -1.642 -7.745) 10.986 3.968 ( 5.429 6.628 0.190) 8.569 4.279 ( -0.788 -3.309 -2.192) 4.046 4.810 ( -5.212 -0.910 -2.673) 5.928 5.083 ( -20.349 0.591 8.615) 22.105 6.650 ( 7.582 1.941 1.319) 7.937 7.058 ( -2.875 -3.492 -0.597) 4.563 7.781 ( -4.986 -0.767 3.565) 6.177 8.016 ( 0.324 -1.860 2.494) 3.128 8.893 ( 11.255 0.124 -4.745) 12.215 8.960 ( 5.026 1.784 4.379) 6.901 9.206 ( -1.827 -1.631 -3.095) 3.946 10.120 ( -5.520 5.473 -4.895) 9.186 12.359 ( -2.425 -1.131 -4.308) 5.071 13.138 ( 7.432 -6.178 4.975) 10.870 13.520 ( -10.055 -5.405 4.543) 12.286 13.542 ( -0.619 10.089 7.188) 12.403 14.150 ( -14.740 -8.605 4.964) 17.776 14.710 ( -8.059 -0.076 -6.180) 10.156 15.399 ( 9.098 1.289 6.011) 10.980 16.388 ( 9.433 3.641 0.320) 10.117 17.315 ( 3.592 -0.730 -10.187) 10.826 17.551 ( 0.665 1.769 2.310) 2.984 17.801 ( -3.698 0.382 -1.497) 4.007 17.888 ( 0.595 -0.247 -0.475) 0.800 ======================= Grid point 166 (84/226) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -17.238 -3.056 9.755) 20.042 1.985 ( -22.618 -0.309 4.787) 23.122 2.601 ( 8.036 0.127 0.121) 8.038 3.044 ( 4.382 -5.386 -4.180) 8.105 3.430 ( 11.010 6.202 0.417) 12.644 3.522 ( -9.256 4.364 -5.917) 11.821 3.986 ( -8.115 -4.938 -0.869) 9.538 4.200 ( 5.620 1.807 -6.692) 8.923 4.724 ( -3.139 5.267 5.897) 8.507 4.989 ( -2.991 -3.201 7.972) 9.096 6.746 ( 2.279 -0.349 0.209) 2.315 6.977 ( -4.426 0.198 0.447) 4.453 7.751 ( 0.887 -2.551 3.636) 4.530 8.024 ( 0.564 -1.285 2.154) 2.571 8.942 ( -1.049 -0.993 -5.640) 5.822 9.123 ( 4.782 -2.151 1.317) 5.407 9.196 ( 9.766 1.442 -0.993) 9.922 10.051 ( -6.851 7.461 -2.165) 10.358 12.285 ( -3.528 2.146 -3.929) 5.699 13.163 ( -6.190 -5.281 5.471) 9.805 13.352 ( -5.600 -1.550 5.310) 7.871 13.735 ( 2.972 2.677 9.562) 10.365 13.857 ( -5.221 -8.984 0.076) 10.391 14.582 ( -5.774 1.938 -0.966) 6.166 15.563 ( 6.145 -0.576 4.920) 7.893 16.546 ( 9.582 -2.060 -6.134) 11.562 17.322 ( 1.589 7.973 -9.039) 12.157 17.598 ( 0.805 -0.861 6.294) 6.403 17.720 ( -4.123 -0.252 -3.804) 5.615 17.879 ( -0.394 -0.779 -1.147) 1.441 ======================= Grid point 169 (85/226) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -10.002 16.732 6.732) 20.623 1.684 ( -6.504 10.836 17.694) 21.744 2.626 ( 4.796 -6.783 -3.047) 8.849 3.181 ( -8.639 0.204 -6.943) 11.085 3.336 ( -15.051 17.910 12.464) 26.508 3.766 ( 7.921 0.981 -9.918) 12.730 3.873 ( 5.197 -3.086 1.344) 6.192 4.491 ( 8.541 -3.751 -1.445) 9.440 4.642 ( -3.233 -2.912 -0.550) 4.386 4.908 ( 1.382 -11.742 6.347) 13.419 6.753 ( 0.338 3.508 1.892) 4.000 6.922 ( -5.906 0.963 1.220) 6.107 7.907 ( 3.802 -2.650 5.996) 7.578 8.077 ( 3.117 1.601 3.711) 5.104 8.703 ( -1.337 5.435 -6.000) 8.205 9.086 ( 2.097 -3.010 -2.171) 4.263 9.517 ( 7.894 -8.346 0.502) 11.499 10.128 ( -8.679 0.364 0.737) 8.718 12.576 ( -1.641 12.736 -0.539) 12.852 12.685 ( -16.826 -3.342 5.599) 18.045 12.892 ( 5.269 11.666 -6.373) 14.299 13.810 ( 0.988 7.202 3.409) 8.029 14.133 ( 4.137 -15.049 13.994) 20.962 14.885 ( 1.847 7.125 8.365) 11.142 15.729 ( 1.331 -2.630 6.960) 7.558 16.191 ( 7.884 -4.293 -12.735) 15.581 17.138 ( -7.975 -8.560 -7.960) 14.150 17.608 ( -2.389 4.753 -2.781) 6.003 17.800 ( 0.365 -0.932 -2.491) 2.684 17.964 ( 2.121 3.571 2.903) 5.067 ======================= Grid point 170 (86/226) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 3.640 23.198 8.738) 25.055 1.810 ( -3.410 10.395 16.096) 19.462 2.618 ( 3.926 -6.472 -2.855) 8.090 3.000 ( -7.453 -0.332 -5.332) 9.170 3.342 ( -11.523 15.355 9.652) 21.488 3.731 ( -3.447 -0.825 -13.769) 14.217 3.938 ( 7.262 -6.796 0.492) 9.959 4.394 ( -9.026 -6.559 4.743) 12.124 4.678 ( 5.449 -4.287 -4.838) 8.455 4.933 ( 10.130 -7.455 6.529) 14.171 6.821 ( -0.617 5.735 2.423) 6.256 6.851 ( -2.761 0.200 1.537) 3.166 7.952 ( 1.250 -2.946 5.737) 6.569 8.186 ( 2.701 3.707 4.341) 6.315 8.744 ( 4.160 4.220 -6.095) 8.501 9.068 ( -1.100 1.245 -2.322) 2.855 9.514 ( 3.157 -11.314 0.257) 11.749 9.937 ( -10.601 -5.491 0.848) 11.969 12.424 ( -14.718 1.163 1.732) 14.865 12.756 ( 8.357 13.282 0.994) 15.724 13.152 ( 9.046 18.063 -3.228) 20.458 13.903 ( 1.318 3.929 2.292) 4.736 14.123 ( 0.347 -9.800 11.038) 14.765 14.991 ( -2.876 4.592 10.067) 11.432 15.765 ( 0.239 -1.176 7.557) 7.652 16.228 ( 9.112 -4.200 -10.658) 14.638 16.889 ( -5.051 -10.848 -6.190) 13.473 17.591 ( -2.562 4.210 -2.913) 5.725 17.782 ( 0.635 -1.498 -2.393) 2.894 17.996 ( -1.946 1.261 0.912) 2.492 ======================= Grid point 171 (87/226) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -1.661 9.922 11.881) 15.568 2.062 ( 8.645 17.803 10.146) 22.240 2.593 ( 1.174 -4.227 -1.736) 4.718 2.855 ( -2.698 -4.595 -7.570) 9.257 3.391 ( -5.073 8.227 6.276) 11.524 3.543 ( -5.365 -0.946 -9.593) 11.032 3.949 ( 2.955 -7.850 -2.742) 8.824 4.231 ( -10.952 2.215 7.100) 13.239 4.635 ( 2.524 -8.400 -6.243) 10.766 5.134 ( 12.109 -1.414 6.943) 14.029 6.785 ( -2.136 -1.375 0.180) 2.547 6.927 ( 1.306 5.460 3.193) 6.458 7.976 ( 0.111 -0.902 4.699) 4.786 8.265 ( -0.683 3.209 4.354) 5.452 8.807 ( 3.527 0.550 -3.461) 4.972 9.053 ( -1.615 3.257 -4.507) 5.791 9.430 ( -1.386 -9.336 1.682) 9.587 9.740 ( -4.045 -7.357 -0.253) 8.400 12.250 ( -8.979 2.859 -0.049) 9.424 13.082 ( 14.329 11.707 -0.075) 18.504 13.430 ( 4.432 15.154 1.959) 15.910 13.955 ( 2.690 -1.865 1.752) 3.713 14.100 ( -4.569 1.237 6.424) 7.979 15.009 ( -6.169 2.569 11.113) 12.968 15.810 ( -0.051 0.372 7.879) 7.888 16.231 ( 3.405 -5.188 -13.217) 14.601 16.721 ( 2.418 -11.446 -3.106) 12.104 17.571 ( -2.135 4.123 -3.677) 5.922 17.765 ( 0.908 -1.850 -1.758) 2.708 17.960 ( -3.213 0.257 1.246) 3.456 ======================= Grid point 172 (88/226) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -0.327 6.916 8.656) 11.084 2.393 ( 4.413 12.974 10.157) 17.058 2.583 ( 4.178 -1.780 -1.456) 4.769 2.747 ( -0.573 -2.491 -5.612) 6.167 3.226 ( -8.757 -6.393 -7.653) 13.271 3.540 ( 1.069 -5.888 4.388) 7.421 3.863 ( -1.739 -5.260 -5.211) 7.606 4.216 ( -4.438 13.772 7.112) 16.123 4.552 ( 1.661 -7.252 -7.586) 10.626 5.364 ( 9.935 2.827 6.865) 12.403 6.745 ( 0.309 -4.601 0.329) 4.623 7.000 ( 0.107 3.753 1.633) 4.094 7.996 ( -1.344 2.131 3.779) 4.542 8.272 ( -3.963 1.413 3.546) 5.503 8.823 ( 0.023 -2.579 -1.095) 2.802 8.996 ( -2.445 0.524 -4.665) 5.293 9.310 ( -5.659 -6.269 2.691) 8.864 9.714 ( 7.629 -2.939 -2.005) 8.418 12.182 ( -2.764 3.382 -0.756) 4.433 13.382 ( 12.595 1.209 -2.482) 12.894 13.581 ( -4.613 12.484 4.657) 14.100 14.002 ( 6.294 -12.307 9.671) 16.870 14.087 ( -7.278 18.054 -1.929) 19.561 14.990 ( -5.836 0.405 11.252) 12.682 15.865 ( -0.378 2.083 7.754) 8.038 16.057 ( -6.874 -4.218 -16.582) 18.439 16.722 ( 11.158 -10.861 -1.620) 15.655 17.557 ( -1.312 3.897 -4.269) 5.927 17.758 ( 1.289 -1.596 -0.846) 2.219 17.928 ( -2.004 0.313 2.051) 2.884 ======================= Grid point 173 (89/226) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -0.685 4.489 5.998) 7.523 2.526 ( -0.404 5.510 4.153) 6.912 2.700 ( 0.906 1.101 4.268) 4.500 2.777 ( 11.264 3.353 -3.897) 12.381 2.976 ( -8.669 -5.814 -5.523) 11.809 3.435 ( -5.965 -8.657 3.717) 11.151 3.758 ( -0.706 -5.934 -4.019) 7.202 4.375 ( 4.151 6.964 4.142) 9.104 4.458 ( -0.757 -2.646 -8.840) 9.258 5.613 ( 9.094 8.850 5.332) 13.764 6.689 ( -1.437 -7.523 0.255) 7.664 7.022 ( 0.015 0.204 0.433) 0.479 8.027 ( -2.174 6.000 3.609) 7.332 8.213 ( -5.378 -0.690 2.633) 6.028 8.707 ( -4.344 -8.455 -2.989) 9.964 8.986 ( -1.300 4.504 -1.319) 4.870 9.187 ( -2.698 -5.811 2.200) 6.774 9.858 ( 10.409 1.725 -2.003) 10.740 12.207 ( 2.352 2.691 -0.390) 3.595 13.399 ( -6.556 -4.664 0.650) 8.072 13.640 ( -0.542 8.642 -3.483) 9.333 13.984 ( -0.938 -8.981 8.352) 12.300 14.257 ( 5.564 13.964 3.903) 15.530 14.952 ( -5.772 -2.743 10.076) 11.931 15.770 ( -11.362 -0.909 -17.066) 20.523 15.936 ( -0.157 4.499 7.315) 8.589 16.824 ( 13.667 -9.755 -2.161) 16.929 17.550 ( -0.685 3.554 -4.427) 5.719 17.770 ( 1.849 -0.747 -0.177) 2.002 17.923 ( -1.040 0.749 2.383) 2.706 ======================= Grid point 174 (90/226) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -2.690 1.203 3.642) 4.685 2.598 ( 0.903 -0.995 3.564) 3.809 2.710 ( -3.354 -0.076 -2.177) 3.999 2.776 ( -6.992 8.408 1.415) 11.026 3.006 ( 13.149 -2.047 -2.660) 13.570 3.292 ( -5.097 -3.955 1.834) 6.707 3.698 ( 1.414 -3.173 -0.768) 3.558 4.334 ( -1.204 -5.407 -6.031) 8.189 4.537 ( 5.866 2.879 0.352) 6.544 5.880 ( 6.661 12.806 1.668) 14.531 6.526 ( -8.171 -10.094 1.017) 13.027 7.029 ( 2.654 -3.351 -0.056) 4.276 8.060 ( -4.980 6.352 2.734) 8.522 8.142 ( -3.757 -0.034 2.866) 4.725 8.549 ( -0.894 -8.383 -3.443) 9.106 8.965 ( -4.631 2.046 1.698) 5.340 9.165 ( 3.139 -2.135 -0.749) 3.869 10.036 ( 7.973 4.588 -1.494) 9.319 12.290 ( 4.841 1.133 0.301) 4.981 13.193 ( -10.691 -3.391 -2.383) 11.466 13.652 ( -3.338 2.043 1.130) 4.073 13.924 ( -2.604 -5.908 5.150) 8.258 14.511 ( 8.732 7.639 2.531) 11.875 14.855 ( -6.736 -7.014 7.942) 12.555 15.487 ( -12.002 1.898 -12.091) 17.142 16.039 ( 1.430 6.654 5.421) 8.701 16.948 ( 13.103 -7.926 -2.707) 15.551 17.548 ( -0.493 3.455 -3.845) 5.193 17.801 ( 2.283 0.219 -0.130) 2.298 17.927 ( -1.441 1.006 2.101) 2.739 ======================= Grid point 175 (91/226) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -6.228 -1.978 1.652) 6.740 2.517 ( -5.721 -2.361 3.099) 6.921 2.645 ( -5.970 3.914 0.924) 7.198 2.903 ( 5.186 11.914 0.205) 12.995 3.062 ( 2.337 -14.209 -4.522) 15.093 3.259 ( 3.442 2.332 -0.557) 4.194 3.757 ( 5.501 3.266 0.326) 6.406 4.260 ( 0.039 -1.195 -2.168) 2.475 4.649 ( 7.147 -1.833 -0.390) 7.389 5.965 ( -16.658 10.528 -2.070) 19.815 6.359 ( 5.056 -10.142 4.304) 12.122 7.039 ( 2.937 -4.093 -0.708) 5.088 8.021 ( -4.662 1.839 1.844) 5.340 8.078 ( -7.609 0.505 2.219) 7.942 8.530 ( 8.229 -3.887 -2.967) 9.572 8.931 ( -2.458 0.771 3.622) 4.445 9.196 ( 2.511 -0.204 -2.783) 3.754 10.173 ( 3.057 6.321 -1.944) 7.285 12.364 ( 2.764 -0.118 -0.257) 2.779 13.016 ( -3.908 -3.148 -1.620) 5.273 13.596 ( -4.560 -2.796 5.235) 7.484 13.847 ( -4.852 -2.022 2.289) 5.734 14.605 ( -9.946 0.968 2.527) 10.308 14.770 ( 6.340 -6.464 -2.502) 9.393 15.298 ( -7.272 2.681 0.024) 7.750 16.166 ( 3.530 5.663 2.310) 7.062 17.067 ( 10.774 -4.958 -3.217) 12.289 17.556 ( -0.371 3.651 -2.034) 4.196 17.842 ( 2.085 0.829 -0.828) 2.392 17.912 ( -2.729 0.693 1.300) 3.101 ======================= Grid point 176 (92/226) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -10.643 -1.598 2.752) 11.109 2.461 ( -3.213 1.187 2.112) 4.024 2.594 ( -8.497 5.962 4.074) 11.151 2.866 ( 0.681 -18.482 -4.900) 19.133 3.117 ( 7.440 10.373 -1.116) 12.814 3.353 ( 7.015 0.149 -4.317) 8.238 3.907 ( 7.274 5.674 -3.180) 9.758 4.288 ( 0.506 2.898 3.875) 4.865 4.730 ( 6.003 -3.025 -2.121) 7.049 5.602 ( -29.357 3.203 3.665) 29.757 6.486 ( 12.171 -5.524 1.964) 13.509 7.038 ( 0.919 -1.641 -0.671) 1.998 7.921 ( -9.701 -0.180 2.099) 9.927 8.010 ( -0.369 -1.491 1.115) 1.898 8.665 ( 11.748 -0.877 -3.365) 12.252 8.948 ( 1.241 -0.093 4.496) 4.665 9.196 ( -0.529 0.514 -3.829) 3.899 10.226 ( -2.345 7.027 -2.834) 7.931 12.372 ( -1.112 1.596 -2.012) 2.798 13.000 ( 4.850 -4.042 2.543) 6.806 13.533 ( -2.141 -5.797 6.327) 8.844 13.759 ( -5.777 0.713 1.391) 5.985 14.360 ( -16.297 -5.777 3.241) 17.591 14.758 ( -1.441 1.032 -8.493) 8.676 15.325 ( 4.414 -0.441 8.520) 9.606 16.277 ( 5.597 1.017 -2.687) 6.292 17.175 ( 7.503 0.465 -3.142) 8.147 17.584 ( 0.055 3.507 0.911) 3.623 17.858 ( -2.879 2.098 -4.404) 5.665 17.873 ( -0.080 -1.446 2.355) 2.764 ======================= Grid point 177 (93/226) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -13.846 1.124 6.632) 15.394 2.326 ( -16.625 -3.220 0.721) 16.950 2.544 ( -0.589 1.248 3.130) 3.420 2.814 ( 10.593 -7.392 -2.563) 13.168 3.329 ( 8.848 7.865 -1.795) 11.974 3.443 ( 8.062 -0.747 -5.404) 9.735 4.052 ( 7.142 4.910 -4.775) 9.896 4.280 ( -12.320 3.934 3.436) 13.382 4.760 ( 2.941 -1.114 -3.712) 4.865 5.229 ( -20.858 1.237 11.215) 23.714 6.624 ( 9.762 -6.050 0.355) 11.490 7.039 ( -1.284 2.464 0.849) 2.905 7.786 ( -5.728 -2.604 2.248) 6.682 8.010 ( 0.724 -1.317 1.328) 2.006 8.822 ( 9.767 -0.674 -4.655) 10.840 9.018 ( 4.947 -2.731 3.032) 6.413 9.152 ( -2.015 1.891 -2.746) 3.896 10.214 ( -5.030 7.889 -2.447) 9.671 12.358 ( -2.742 5.757 -2.570) 6.875 13.084 ( 6.555 -5.879 5.377) 10.317 13.458 ( -5.244 -5.766 2.757) 8.268 13.732 ( 3.236 -4.330 4.593) 7.093 14.039 ( -18.885 -1.603 4.243) 19.422 14.686 ( -4.620 3.627 -3.518) 6.847 15.468 ( 7.482 -2.773 7.633) 11.042 16.323 ( 6.627 -5.335 -9.469) 12.729 17.304 ( 5.463 8.129 -2.105) 10.018 17.631 ( 0.175 2.193 3.930) 4.504 17.770 ( -4.923 -0.223 -4.165) 6.452 17.871 ( -0.203 -0.719 -0.776) 1.077 ======================= Grid point 180 (94/226) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -8.656 11.187 5.092) 15.033 2.000 ( -7.624 11.494 11.525) 17.974 2.510 ( 1.570 -5.109 0.652) 5.384 3.027 ( 6.058 -5.277 -7.024) 10.672 3.539 ( 8.276 -5.518 -1.357) 10.039 3.723 ( 8.154 -1.563 -2.912) 8.799 3.945 ( -15.802 5.496 3.554) 17.104 4.345 ( 4.743 6.750 -7.511) 11.157 4.705 ( -3.069 1.169 2.040) 3.866 4.905 ( -10.755 -5.770 6.726) 13.936 6.725 ( 7.428 -0.744 1.480) 7.610 7.028 ( -6.230 -1.015 0.358) 6.322 7.884 ( 2.942 2.200 7.156) 8.044 8.057 ( 3.125 0.346 4.069) 5.143 8.727 ( -2.022 -0.161 -6.482) 6.791 8.962 ( 6.036 -3.441 -1.627) 7.136 9.342 ( 5.160 -4.811 1.109) 7.141 10.275 ( -6.690 2.957 -2.807) 7.834 12.644 ( -1.650 0.432 -5.489) 5.748 12.906 ( -9.241 -6.658 5.545) 12.668 12.959 ( 2.001 19.154 -0.986) 19.284 13.919 ( -6.587 2.885 6.364) 9.603 14.030 ( 6.086 -9.145 17.716) 20.846 14.940 ( 4.093 7.301 3.049) 8.908 15.628 ( 8.457 -8.106 0.586) 11.729 16.035 ( 2.426 2.913 -4.150) 5.621 17.152 ( -9.603 -7.830 -10.121) 15.999 17.666 ( -1.385 4.300 -3.198) 5.534 17.773 ( -0.174 -1.114 -2.467) 2.712 17.968 ( 2.955 2.515 3.401) 5.159 ======================= Grid point 181 (95/226) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.839 18.044 7.593) 19.595 2.067 ( -5.463 10.465 10.589) 15.858 2.501 ( 2.432 -3.857 0.433) 4.580 2.956 ( -0.712 -7.017 -7.892) 10.585 3.560 ( 2.973 -9.322 -2.871) 10.197 3.733 ( -6.225 1.498 -1.633) 6.608 3.840 ( 0.128 -0.104 -1.948) 1.955 4.425 ( 5.340 -0.608 -7.911) 9.564 4.673 ( -5.865 3.791 4.607) 8.366 4.795 ( -1.592 -1.465 8.674) 8.940 6.848 ( 4.762 0.748 3.351) 5.871 6.922 ( -5.057 -0.294 0.209) 5.070 7.957 ( 0.261 0.004 6.307) 6.313 8.179 ( 5.073 3.310 4.554) 7.578 8.685 ( 1.925 -0.417 -5.659) 5.992 9.014 ( 4.244 -1.039 -2.567) 5.068 9.355 ( 3.719 -8.429 0.234) 9.216 10.106 ( -12.397 -1.414 -2.135) 12.659 12.624 ( -2.886 -4.797 1.041) 5.694 12.754 ( -3.195 8.744 -3.692) 10.015 13.239 ( 5.302 22.429 2.509) 23.183 13.867 ( -1.139 -8.212 8.101) 11.591 14.148 ( 2.232 -0.524 12.391) 12.601 15.093 ( 2.766 6.446 4.121) 8.135 15.700 ( 8.541 -7.065 0.937) 11.124 16.083 ( 0.890 3.756 -1.446) 4.122 16.854 ( -8.267 -10.021 -9.047) 15.831 17.651 ( -2.270 3.156 -2.674) 4.719 17.745 ( 0.121 -1.265 -2.644) 2.933 18.021 ( 0.261 0.534 0.641) 0.874 ======================= Grid point 182 (96/226) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -2.045 7.059 9.068) 11.672 2.174 ( 2.564 16.598 5.304) 17.612 2.530 ( 2.879 -0.861 2.075) 3.652 2.817 ( -2.709 -5.702 -5.439) 8.333 3.430 ( -2.410 -10.511 -6.957) 12.833 3.602 ( -6.213 -2.313 -1.263) 6.749 3.841 ( 2.206 -3.504 -2.427) 4.800 4.420 ( 3.827 -3.657 -7.327) 9.039 4.623 ( -13.197 11.098 7.528) 18.815 4.939 ( 11.960 -0.445 6.935) 13.832 6.803 ( -3.456 -5.106 0.037) 6.165 6.981 ( 2.005 5.174 3.896) 6.780 7.994 ( 0.296 0.680 4.434) 4.495 8.301 ( 2.506 2.671 3.350) 4.964 8.713 ( 5.099 -1.193 -2.676) 5.881 9.040 ( 1.173 0.146 -4.651) 4.799 9.331 ( 3.706 -7.601 0.571) 8.475 9.846 ( -13.644 -3.765 -0.849) 14.180 12.452 ( -11.018 -1.099 2.504) 11.352 12.926 ( 11.428 9.969 -7.501) 16.919 13.553 ( 4.565 18.692 5.056) 19.895 13.836 ( 2.556 -9.325 7.730) 12.379 14.241 ( -0.105 3.206 7.831) 8.463 15.179 ( -2.971 6.725 2.943) 7.919 15.789 ( 8.490 -7.060 4.099) 11.778 16.095 ( -1.932 3.091 -4.827) 6.049 16.607 ( -3.349 -11.023 -4.805) 12.482 17.624 ( -2.402 3.019 -3.103) 4.951 17.723 ( 0.646 -1.623 -1.844) 2.539 18.005 ( -1.872 -0.610 -0.018) 1.969 ======================= Grid point 183 (97/226) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -1.307 4.563 5.157) 7.009 2.395 ( 6.884 7.740 0.040) 10.358 2.585 ( -1.058 1.367 6.335) 6.567 2.725 ( -0.534 -1.800 -1.969) 2.721 3.230 ( -4.927 -7.631 -7.861) 12.013 3.507 ( -1.126 -5.010 2.050) 5.529 3.800 ( -0.099 -5.758 -2.445) 6.257 4.400 ( 3.417 -5.379 -7.447) 9.802 4.565 ( -13.346 15.964 5.870) 21.620 5.207 ( 14.392 1.061 6.314) 15.752 6.697 ( -1.897 -7.166 -0.541) 7.432 7.063 ( -0.398 4.371 2.650) 5.127 8.037 ( 0.738 2.034 2.864) 3.589 8.344 ( -1.075 0.930 1.418) 2.007 8.770 ( 3.042 -2.018 -0.267) 3.661 8.985 ( -1.446 -2.733 -4.471) 5.436 9.358 ( 1.528 -0.845 0.508) 1.819 9.628 ( -5.091 -4.012 0.671) 6.516 12.310 ( -7.926 2.656 0.848) 8.402 13.154 ( 12.507 2.751 -5.668) 14.004 13.713 ( 0.582 2.846 -1.549) 3.292 13.930 ( 3.505 1.764 15.531) 16.019 14.297 ( -2.322 7.177 1.559) 7.703 15.161 ( -7.247 5.281 1.643) 9.116 15.886 ( 7.953 -8.593 2.675) 12.011 16.012 ( -6.108 5.300 -8.119) 11.460 16.497 ( 3.405 -10.125 1.108) 10.739 17.595 ( -2.026 2.961 -3.377) 4.927 17.716 ( 1.278 -1.389 -0.815) 2.056 17.968 ( -1.730 -0.481 0.774) 1.955 ======================= Grid point 184 (98/226) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.290 3.692 3.349) 4.993 2.558 ( 5.851 1.550 -2.770) 6.656 2.592 ( 2.734 -1.448 2.431) 3.934 2.729 ( -0.339 0.932 2.741) 2.915 3.054 ( -5.634 -2.362 -3.621) 7.101 3.475 ( -1.633 -2.436 4.106) 5.046 3.709 ( -1.977 -5.510 -1.807) 6.127 4.336 ( -0.099 -4.789 -4.167) 6.349 4.556 ( -7.129 11.998 0.181) 13.957 5.500 ( 14.511 2.448 5.023) 15.550 6.603 ( 0.141 -7.972 -1.513) 8.116 7.075 ( -3.080 2.183 0.543) 3.814 8.098 ( 1.579 3.430 2.655) 4.616 8.304 ( -4.556 -0.381 0.191) 4.576 8.701 ( -5.438 -5.462 -2.712) 8.170 8.972 ( 3.700 0.184 -2.071) 4.244 9.275 ( -8.877 -1.334 2.774) 9.395 9.692 ( 10.658 1.102 1.230) 10.785 12.254 ( -3.382 4.355 0.149) 5.516 13.298 ( 8.214 -5.332 -1.948) 9.985 13.701 ( -0.826 3.433 -7.817) 8.578 14.011 ( -4.720 -6.175 16.158) 17.930 14.366 ( 1.006 10.123 0.051) 10.173 15.081 ( -7.370 2.058 1.319) 7.765 15.780 ( -4.111 -1.376 -19.644) 20.117 16.055 ( -0.233 4.165 13.149) 13.795 16.520 ( 9.594 -9.620 0.976) 13.621 17.575 ( -1.340 2.938 -2.984) 4.396 17.730 ( 1.899 -0.656 -0.173) 2.017 17.956 ( -0.610 0.353 1.792) 1.926 ======================= Grid point 185 (99/226) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -1.970 2.925 2.790) 4.497 2.545 ( 1.199 -6.838 1.291) 7.061 2.700 ( 2.867 0.088 -4.839) 5.626 2.768 ( 7.712 -0.624 -0.478) 7.752 2.974 ( -4.250 3.999 2.292) 6.270 3.429 ( -7.651 3.139 4.022) 9.196 3.648 ( 0.845 -2.328 0.479) 2.523 4.274 ( -0.448 -2.636 -2.350) 3.560 4.547 ( -2.854 4.917 -1.491) 5.877 5.780 ( 14.678 -0.290 3.141) 15.013 6.515 ( -2.181 -5.636 -3.183) 6.830 7.024 ( -3.429 -0.286 -0.391) 3.463 8.183 ( 1.143 -1.197 1.928) 2.541 8.210 ( -4.529 4.810 0.960) 6.676 8.512 ( -7.310 -6.170 -3.945) 10.348 9.032 ( 2.512 2.434 -2.811) 4.487 9.150 ( -5.954 -2.045 4.789) 7.910 9.920 ( 11.372 4.097 1.973) 12.248 12.276 ( 0.459 4.518 0.224) 4.547 13.263 ( -3.749 -6.685 -3.293) 8.343 13.685 ( -0.051 2.546 -4.538) 5.204 13.915 ( -3.741 -10.347 8.261) 13.758 14.486 ( 4.102 3.099 1.794) 5.445 14.970 ( -8.430 0.437 0.845) 8.484 15.580 ( -6.681 2.366 -16.444) 17.907 16.158 ( -2.211 5.024 11.354) 12.611 16.638 ( 13.848 -7.211 0.108) 15.614 17.572 ( -0.745 3.076 -1.942) 3.713 17.763 ( 2.408 0.158 -0.134) 2.417 17.968 ( -0.577 1.068 2.098) 2.424 ======================= Grid point 186 (100/226) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -6.309 0.325 1.665) 6.533 2.506 ( 2.586 -6.723 -1.987) 7.473 2.662 ( 0.321 -5.770 -2.248) 6.201 2.907 ( 6.780 -0.231 -0.434) 6.797 2.994 ( -2.358 7.327 2.709) 8.160 3.346 ( -8.586 6.192 1.232) 10.658 3.705 ( 4.435 2.867 0.797) 5.340 4.259 ( 0.217 2.091 1.034) 2.343 4.553 ( 1.948 -0.009 -1.172) 2.273 6.006 ( 15.768 -9.140 1.959) 18.330 6.353 ( -12.439 0.770 -3.718) 13.006 6.984 ( 0.132 -0.879 -0.233) 0.918 8.086 ( -4.283 -2.249 -0.365) 4.852 8.283 ( -10.560 3.459 1.620) 11.230 8.345 ( 6.706 -3.417 -2.844) 8.046 9.017 ( -4.462 0.689 1.639) 4.803 9.143 ( 2.544 0.590 0.502) 2.659 10.141 ( 7.782 5.673 1.133) 9.697 12.342 ( 1.858 3.891 0.255) 4.320 13.070 ( -7.749 -4.210 -4.232) 9.782 13.650 ( -3.378 -4.767 3.639) 6.884 13.833 ( 0.874 -7.231 -0.027) 7.284 14.565 ( 7.028 -7.410 -1.797) 10.370 14.830 ( -11.098 5.242 0.369) 12.279 15.420 ( -6.209 1.962 -6.747) 9.376 16.208 ( -1.475 2.063 4.313) 5.004 16.829 ( 13.093 -1.397 1.631) 13.268 17.587 ( -0.259 3.305 -0.368) 3.336 17.806 ( 2.452 0.674 -0.784) 2.661 17.970 ( -2.027 0.996 1.458) 2.689 ======================= Grid point 187 (101/226) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -6.844 0.683 0.907) 6.937 2.483 ( 2.520 -3.843 -2.446) 5.206 2.588 ( 1.510 -11.339 -0.637) 11.456 2.868 ( -8.928 -1.027 1.380) 9.092 3.112 ( 3.780 8.506 1.352) 9.406 3.312 ( -2.209 5.517 -1.433) 6.113 3.827 ( 5.814 5.722 -3.508) 8.880 4.348 ( 2.066 7.196 6.081) 9.645 4.592 ( 4.836 -2.376 -1.731) 5.659 6.021 ( -9.298 -13.966 0.160) 16.779 6.215 ( 3.917 2.884 0.338) 4.876 7.009 ( 2.240 1.418 0.163) 2.656 8.016 ( -1.772 -1.603 -0.313) 2.410 8.081 ( -9.550 -3.758 -1.993) 10.455 8.486 ( 7.685 2.947 0.244) 8.234 8.970 ( -2.148 -1.181 2.677) 3.629 9.190 ( 1.092 2.098 -0.991) 2.564 10.281 ( 2.184 6.125 -1.249) 6.622 12.399 ( 0.338 4.418 -0.612) 4.473 12.945 ( -0.940 -2.556 -0.015) 2.724 13.554 ( -3.381 -6.279 3.944) 8.149 13.765 ( -0.751 -8.162 -1.453) 8.324 14.497 ( -2.434 -11.765 -2.059) 12.190 14.770 ( -4.833 10.645 -2.696) 11.998 15.342 ( -1.827 -1.392 3.060) 3.826 16.201 ( 0.261 -2.416 -2.677) 3.615 17.051 ( 10.027 4.560 2.830) 11.373 17.622 ( 0.232 3.344 1.473) 3.662 17.840 ( 1.688 0.883 -2.413) 3.075 17.930 ( -3.955 -0.232 0.487) 3.992 ======================= Grid point 188 (102/226) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -8.438 4.150 3.115) 9.906 2.446 ( -5.725 -10.621 0.376) 12.072 2.505 ( 7.085 -7.447 -2.899) 10.680 2.728 ( -6.814 3.072 1.536) 7.631 3.255 ( 5.409 3.102 1.686) 6.460 3.347 ( 1.572 5.994 -3.467) 7.101 3.960 ( 6.365 6.599 -5.638) 10.763 4.482 ( -2.067 7.272 7.966) 10.982 4.635 ( 5.508 -2.140 -4.493) 7.423 5.675 ( -21.358 -2.803 3.894) 21.890 6.342 ( 12.510 -8.194 0.790) 14.976 7.077 ( 1.698 4.344 1.423) 4.877 7.885 ( -7.935 -3.891 -0.887) 8.882 7.994 ( 0.263 -1.461 0.236) 1.503 8.642 ( 8.392 2.010 -1.151) 8.706 8.953 ( 0.735 -3.061 1.268) 3.394 9.201 ( -1.537 2.545 -0.679) 3.050 10.324 ( -1.873 6.145 -3.154) 7.157 12.444 ( -0.860 7.950 -1.396) 8.118 12.975 ( 4.581 -2.764 4.486) 6.982 13.479 ( -2.923 -5.008 1.082) 5.898 13.637 ( 0.014 -12.944 1.245) 13.004 14.309 ( -9.772 -4.102 2.304) 10.846 14.775 ( -3.988 8.664 -3.810) 10.271 15.372 ( 4.849 -4.749 6.795) 9.604 16.143 ( 1.391 -5.433 -7.844) 9.643 17.277 ( 7.536 8.804 2.337) 11.822 17.673 ( 0.372 2.741 3.229) 4.252 17.819 ( -3.803 0.733 -6.679) 7.720 17.866 ( -1.170 -2.030 1.692) 2.890 ======================= Grid point 191 (103/226) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -6.290 8.607 3.946) 11.367 2.265 ( -4.579 8.598 4.900) 10.904 2.444 ( 2.931 -5.362 3.906) 7.252 2.855 ( 5.866 -2.052 -3.275) 7.025 3.352 ( 6.046 -5.001 -2.436) 8.216 3.540 ( 6.381 -3.190 -0.802) 7.179 4.094 ( -5.853 -4.204 -1.526) 7.366 4.328 ( -0.616 2.977 -8.728) 9.243 4.720 ( -2.372 -5.247 0.165) 5.760 5.283 ( -16.987 14.610 6.836) 23.425 6.498 ( 15.157 -6.395 0.574) 16.461 7.105 ( -5.046 -2.900 -0.618) 5.852 7.927 ( 3.549 6.033 7.120) 9.984 8.036 ( 1.799 -0.822 4.267) 4.703 8.683 ( -1.785 -6.191 -4.095) 7.634 8.849 ( 3.947 1.015 -2.223) 4.642 9.278 ( 0.654 -1.500 1.580) 2.275 10.350 ( -2.002 2.772 -5.765) 6.703 12.611 ( -2.192 -4.182 -7.859) 9.169 12.938 ( -0.963 -7.788 5.394) 9.522 13.136 ( -0.153 18.833 1.664) 18.907 13.919 ( 6.923 -12.922 20.578) 25.266 14.171 ( -7.683 8.097 5.219) 12.321 14.940 ( 2.322 4.493 -0.815) 5.123 15.359 ( 10.620 -7.499 -6.576) 14.569 16.077 ( -0.163 6.307 5.792) 8.564 17.178 ( -9.909 -7.117 -11.551) 16.801 17.693 ( 0.213 3.195 -2.872) 4.301 17.756 ( -0.590 -0.581 -2.575) 2.705 17.964 ( 2.331 1.426 3.907) 4.768 ======================= Grid point 192 (104/226) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -1.172 12.826 6.191) 14.290 2.298 ( -4.949 8.260 4.463) 10.613 2.467 ( 1.195 -1.999 5.075) 5.584 2.854 ( 0.795 -3.181 -6.068) 6.897 3.360 ( 5.063 -9.379 -5.048) 11.793 3.634 ( 9.011 -5.190 0.527) 10.412 3.901 ( -8.599 -6.876 -2.424) 11.274 4.298 ( 1.389 -0.307 -9.544) 9.649 4.639 ( 0.630 -4.998 0.543) 5.067 5.221 ( -17.105 20.086 9.591) 28.072 6.696 ( 13.237 -5.105 2.106) 14.343 6.995 ( -4.562 -1.642 -0.174) 4.852 8.022 ( -1.444 2.420 5.591) 6.261 8.150 ( 5.785 3.902 5.282) 8.752 8.586 ( 1.372 -6.859 -4.429) 8.279 8.915 ( 4.865 0.824 -2.802) 5.674 9.263 ( 0.084 -4.308 0.707) 4.366 10.251 ( -7.951 -0.129 -4.840) 9.309 12.543 ( 2.583 -2.084 -5.867) 6.740 12.868 ( -3.415 -2.139 2.962) 5.001 13.385 ( 4.522 19.963 3.545) 20.773 13.920 ( -4.403 -11.450 16.100) 20.241 14.201 ( -1.456 5.665 6.139) 8.479 15.066 ( 7.651 2.606 1.640) 8.248 15.438 ( 10.863 -4.291 -8.198) 14.270 16.176 ( -0.913 5.719 9.218) 10.886 16.862 ( -10.705 -8.016 -11.553) 17.673 17.685 ( -1.019 0.298 -1.002) 1.460 17.729 ( -0.842 1.202 -4.285) 4.529 18.015 ( 1.101 -0.149 1.259) 1.679 ======================= Grid point 193 (105/226) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -1.279 8.641 5.988) 10.590 2.315 ( -2.006 6.691 2.512) 7.423 2.526 ( 1.737 4.109 5.122) 6.792 2.773 ( -1.848 -3.504 -4.560) 6.040 3.280 ( 1.752 -11.249 -5.724) 12.743 3.660 ( -6.993 -5.413 -2.675) 9.239 3.723 ( 5.467 -7.673 -1.733) 9.579 4.263 ( 2.917 -2.678 -6.946) 7.995 4.689 ( 7.486 -1.410 1.551) 7.774 5.195 ( -16.235 19.629 9.450) 27.169 6.775 ( 0.916 -8.296 0.871) 8.392 6.988 ( 3.607 2.721 2.586) 5.206 8.045 ( -1.479 2.601 3.082) 4.296 8.289 ( 3.193 2.400 2.663) 4.801 8.571 ( 6.757 -5.422 -1.611) 8.812 8.985 ( 3.662 2.044 -4.006) 5.800 9.218 ( 0.936 -6.225 0.604) 6.324 10.037 ( -12.889 -2.154 -2.856) 13.376 12.521 ( -0.164 -6.366 0.388) 6.380 12.880 ( 1.849 10.080 -5.116) 11.454 13.652 ( 3.256 11.048 2.558) 11.798 13.853 ( -2.252 -1.902 14.276) 14.577 14.271 ( 1.765 0.412 5.297) 5.599 15.227 ( 6.345 2.126 2.836) 7.267 15.525 ( 10.033 -2.488 -10.359) 14.634 16.250 ( -4.777 5.442 11.149) 13.294 16.552 ( -7.762 -9.402 -9.244) 15.300 17.664 ( -1.445 0.855 -1.255) 2.096 17.698 ( -0.634 0.275 -3.259) 3.332 18.014 ( -0.574 -1.250 -0.160) 1.385 ======================= Grid point 194 (106/226) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -3.577 2.807 1.638) 4.833 2.396 ( 0.941 4.728 0.141) 4.823 2.649 ( 1.047 3.967 4.894) 6.386 2.697 ( -0.238 -2.469 -0.811) 2.610 3.160 ( -0.789 -8.202 -3.481) 8.945 3.503 ( -2.746 -3.054 -2.591) 4.856 3.721 ( 2.090 -6.155 -0.629) 6.530 4.266 ( 3.669 -1.207 -4.752) 6.124 4.814 ( 4.391 0.669 1.293) 4.626 5.193 ( -8.043 13.774 7.677) 17.702 6.663 ( -3.057 -8.211 -0.800) 8.798 7.099 ( 2.767 2.209 3.241) 4.800 8.064 ( -0.483 2.613 0.660) 2.738 8.338 ( 2.002 -0.884 -0.671) 2.289 8.666 ( 7.484 -2.184 1.284) 7.901 8.980 ( -2.947 -0.131 -3.882) 4.876 9.241 ( 7.602 -2.486 -0.144) 8.000 9.784 ( -13.255 -2.267 0.578) 13.460 12.434 ( -4.269 -3.802 2.245) 6.142 13.013 ( 5.646 9.131 -6.687) 12.648 13.672 ( 0.048 -2.596 -1.476) 2.987 14.038 ( 3.244 7.527 15.491) 17.526 14.325 ( 2.348 -0.841 1.744) 3.043 15.313 ( -1.606 4.768 -1.064) 5.143 15.592 ( 10.500 -5.267 -11.519) 16.452 16.201 ( -10.739 5.864 -0.114) 12.236 16.400 ( 1.044 -8.789 7.367) 11.515 17.635 ( -2.048 2.228 -2.974) 4.243 17.685 ( 0.675 -0.852 -0.393) 1.156 17.984 ( -1.018 -1.257 0.009) 1.618 ======================= Grid point 195 (107/226) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -0.044 1.074 0.792) 1.335 2.459 ( 3.853 4.255 -3.992) 6.993 2.600 ( -3.093 -5.664 2.130) 6.796 2.742 ( 1.033 -0.362 1.129) 1.572 3.082 ( -1.785 -1.287 1.309) 2.560 3.480 ( 1.289 0.585 -0.445) 1.484 3.684 ( -0.235 -3.399 1.098) 3.580 4.287 ( 1.211 0.846 -2.296) 2.731 4.811 ( -8.243 5.745 -0.027) 10.048 5.308 ( 8.438 -0.683 4.833) 9.748 6.544 ( -1.792 -4.931 -2.179) 5.681 7.137 ( -1.453 0.559 1.287) 2.020 8.090 ( 1.642 0.631 -0.299) 1.784 8.338 ( -0.372 -0.661 -1.681) 1.845 8.726 ( -0.935 -1.723 -0.486) 2.020 8.908 ( 0.208 -0.030 -2.397) 2.406 9.360 ( 3.765 0.732 -1.045) 3.975 9.618 ( -3.305 -1.055 5.463) 6.472 12.359 ( -3.936 0.687 1.407) 4.236 13.129 ( 5.498 1.364 -2.735) 6.290 13.654 ( 1.975 0.804 -7.309) 7.614 14.143 ( -4.477 -6.762 14.701) 16.790 14.377 ( 3.373 2.498 -0.974) 4.309 15.253 ( -8.093 6.089 -5.767) 11.655 15.610 ( 6.740 -4.666 -16.332) 18.274 16.162 ( -0.128 5.745 4.415) 7.247 16.401 ( -0.690 -6.326 11.438) 13.089 17.611 ( -1.557 2.651 -2.445) 3.928 17.696 ( 1.439 -0.544 0.495) 1.616 17.970 ( 0.002 -0.376 1.064) 1.128 ======================= Grid point 196 (108/226) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 2.856 -1.071 -0.116) 3.052 2.492 ( -3.295 -7.574 0.599) 8.281 2.574 ( 8.149 4.786 -4.972) 10.679 2.711 ( -1.498 -5.081 -0.575) 5.328 3.087 ( -2.435 5.140 4.391) 7.185 3.526 ( 2.191 2.915 0.891) 3.754 3.674 ( -2.318 1.581 3.816) 4.736 4.291 ( -1.861 2.988 0.366) 3.540 4.696 ( -9.864 4.735 -1.786) 11.087 5.462 ( 15.139 -14.342 2.389) 20.990 6.499 ( -0.316 2.865 -3.774) 4.749 7.085 ( -4.164 -1.239 -0.500) 4.373 8.114 ( 2.920 -4.283 -1.167) 5.313 8.297 ( -2.810 1.074 -2.104) 3.671 8.613 ( -8.325 0.389 -1.179) 8.417 8.967 ( 4.717 2.835 -1.853) 5.807 9.295 ( -7.985 -0.911 2.532) 8.427 9.769 ( 12.185 2.019 5.260) 13.425 12.340 ( -1.749 3.760 0.576) 4.187 13.177 ( 2.794 -3.830 -2.005) 5.148 13.657 ( 1.845 2.875 -8.272) 8.950 13.979 ( -9.535 -13.096 7.996) 18.065 14.422 ( 2.477 -4.907 0.086) 5.498 15.140 ( -7.876 6.430 -5.527) 11.572 15.539 ( 0.598 0.924 -18.443) 18.476 16.321 ( -0.295 4.854 15.341) 16.093 16.400 ( 6.299 -4.887 3.391) 8.664 17.607 ( -0.951 2.997 -0.940) 3.282 17.726 ( 2.103 -0.033 0.357) 2.133 17.988 ( 0.672 0.618 1.790) 2.009 ======================= Grid point 197 (109/226) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 5.192 -6.867 -4.435) 9.684 2.351 ( -5.678 -4.786 -0.467) 7.440 2.605 ( -2.361 -8.214 0.123) 8.547 2.754 ( 10.558 3.394 -2.266) 11.320 3.144 ( -2.610 9.445 3.828) 10.520 3.577 ( -6.137 8.271 0.127) 10.300 3.694 ( 0.937 3.157 4.837) 5.852 4.312 ( -0.912 5.773 2.824) 6.491 4.583 ( -5.587 1.669 -1.609) 6.049 5.554 ( 17.615 -24.469 0.270) 30.152 6.514 ( -3.403 9.733 -4.778) 11.364 7.000 ( -2.909 -1.701 -0.197) 3.375 8.071 ( 0.714 -7.292 -2.689) 7.805 8.241 ( -2.197 -2.567 -4.646) 5.744 8.509 ( -7.726 7.162 3.282) 11.035 9.057 ( 2.210 5.134 -3.481) 6.585 9.180 ( -5.625 -2.438 5.483) 8.225 10.032 ( 12.129 3.221 3.660) 13.072 12.375 ( 0.260 5.312 -0.055) 5.319 13.104 ( -4.200 -3.984 -4.933) 7.606 13.660 ( -0.036 -2.332 -0.106) 2.335 13.757 ( -4.196 -10.879 0.530) 11.672 14.369 ( 3.137 -12.722 -2.534) 13.346 15.053 ( -7.673 7.272 -2.799) 10.936 15.445 ( -1.979 2.577 -13.728) 14.108 16.296 ( -5.449 -3.498 7.560) 9.954 16.653 ( 12.957 5.220 7.553) 15.881 17.624 ( -0.424 3.078 0.595) 3.164 17.766 ( 2.422 0.326 -0.440) 2.484 18.010 ( -0.520 0.865 1.422) 1.744 ======================= Grid point 198 (110/226) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -0.848 -8.903 -5.561) 10.532 2.337 ( 2.234 -2.274 -1.661) 3.594 2.490 ( -0.495 -11.138 0.469) 11.159 2.918 ( 3.947 1.973 2.301) 4.977 3.204 ( -3.122 10.051 0.373) 10.531 3.505 ( -10.377 9.333 0.815) 13.980 3.794 ( 3.063 5.596 -0.429) 6.394 4.420 ( 2.554 9.248 3.142) 10.096 4.536 ( -0.577 -0.546 1.487) 1.686 5.588 ( 17.861 -28.843 -1.508) 33.959 6.477 ( -10.558 10.997 -2.660) 15.475 6.988 ( 2.033 0.693 0.889) 2.325 7.997 ( 0.609 -6.165 -2.929) 6.853 8.103 ( -4.960 -5.239 -5.432) 9.031 8.536 ( -2.825 9.242 4.995) 10.879 9.035 ( -4.984 0.922 -0.431) 5.087 9.184 ( 1.861 1.004 2.368) 3.175 10.246 ( 7.602 3.561 0.422) 8.405 12.438 ( 0.823 6.181 -0.931) 6.304 12.964 ( -4.192 -2.270 -2.047) 5.188 13.567 ( -3.555 -6.447 1.469) 7.508 13.661 ( 0.515 -9.638 -1.639) 9.790 14.290 ( 5.946 -13.771 -4.016) 15.529 14.990 ( -7.201 7.545 -0.443) 10.440 15.360 ( -2.441 0.772 -7.255) 7.694 16.206 ( -4.800 -3.676 2.632) 6.594 16.965 ( 11.296 7.682 7.472) 15.571 17.658 ( 0.230 2.853 1.838) 3.402 17.801 ( 2.056 0.366 -1.970) 2.871 17.990 ( -3.095 -0.165 0.163) 3.104 ======================= Grid point 199 (111/226) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 3.967 -5.722 -3.640) 7.857 2.337 ( -0.872 -0.867 0.043) 1.230 2.387 ( 2.621 -11.715 -0.715) 12.025 2.893 ( -9.082 1.125 1.801) 9.327 3.256 ( 0.562 5.184 -0.628) 5.252 3.467 ( -6.780 9.697 2.550) 12.104 3.902 ( 4.909 7.526 -4.905) 10.237 4.520 ( 2.900 -0.440 -4.636) 5.486 4.609 ( 1.274 7.838 8.710) 11.786 5.581 ( 14.146 -25.626 -2.425) 29.371 6.368 ( -11.934 7.942 1.520) 14.415 7.074 ( 4.273 3.334 1.687) 5.676 7.908 ( -2.227 -7.841 -4.585) 9.352 7.980 ( -1.587 -1.149 -0.764) 2.103 8.622 ( 0.102 7.404 3.219) 8.074 8.962 ( -3.596 -1.011 0.354) 3.752 9.227 ( 0.610 1.055 0.785) 1.450 10.348 ( 2.205 3.216 -3.376) 5.158 12.511 ( 1.114 8.172 -1.882) 8.460 12.938 ( 1.472 -0.213 3.721) 4.007 13.484 ( -2.835 -2.164 -3.128) 4.744 13.513 ( -0.989 -16.203 2.437) 16.415 14.255 ( 5.284 -10.388 -1.638) 11.769 14.955 ( -5.795 7.476 0.574) 9.476 15.299 ( 0.121 -2.542 -3.004) 3.937 16.106 ( -4.485 -2.532 0.067) 5.151 17.252 ( 8.682 8.959 5.544) 13.652 17.708 ( 0.786 2.409 3.050) 3.966 17.806 ( 0.385 0.200 -5.488) 5.505 17.908 ( -4.745 -2.311 -0.015) 5.278 ======================= Grid point 202 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 8.210 -5.761 2.244) 10.278 2.274 ( 1.630 7.656 2.402) 8.188 2.479 ( -2.645 3.237 2.692) 4.972 2.747 ( 4.285 -1.572 -0.658) 4.612 3.253 ( -1.374 -1.973 -1.783) 2.993 3.500 ( -3.545 -1.665 2.165) 4.475 4.126 ( -3.610 -0.985 -4.792) 6.080 4.306 ( -0.873 -0.513 -5.517) 5.609 4.727 ( -4.550 -4.923 0.191) 6.706 5.534 ( 11.210 6.017 -0.385) 12.728 6.282 ( -1.495 -0.651 2.230) 2.763 7.120 ( -1.705 -4.499 -1.623) 5.078 7.904 ( 8.464 2.136 4.886) 10.003 8.043 ( 0.528 -0.577 4.610) 4.676 8.696 ( -7.851 -2.123 -1.450) 8.261 8.833 ( -0.886 2.990 -0.833) 3.228 9.274 ( 0.508 -1.115 1.859) 2.226 10.324 ( 2.437 1.570 -7.920) 8.434 12.551 ( -1.381 -5.295 -6.559) 8.542 12.914 ( -0.938 -4.906 4.246) 6.556 13.328 ( -1.975 15.193 1.670) 15.412 13.786 ( 9.318 -10.391 17.137) 22.102 14.267 ( 7.046 1.624 2.842) 7.769 14.974 ( -0.528 -2.645 1.689) 3.182 15.130 ( 2.099 1.276 -7.195) 7.603 16.212 ( -2.795 7.638 7.815) 11.280 17.196 ( -8.647 -5.989 -12.939) 16.675 17.694 ( 0.809 2.234 -1.468) 2.793 17.746 ( -0.423 -0.509 -2.154) 2.253 17.965 ( 1.729 0.801 3.973) 4.406 ======================= Grid point 203 (113/226) ======================= q-point: ( 0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 3.227 -0.717 5.159) 6.127 2.390 ( 1.219 6.760 0.203) 6.872 2.499 ( -0.707 4.140 5.017) 6.543 2.803 ( 2.706 0.423 -2.885) 3.978 3.198 ( 0.747 -6.075 -2.859) 6.756 3.473 ( 2.997 -4.823 1.920) 5.994 3.949 ( -8.318 -6.829 -5.781) 12.216 4.254 ( -1.267 -0.062 -4.837) 5.000 4.619 ( -2.721 -2.697 -0.523) 3.867 5.693 ( -8.011 18.369 3.935) 20.422 6.375 ( 15.511 -7.575 1.522) 17.329 7.034 ( -3.028 -2.879 -0.874) 4.268 8.064 ( 0.867 -1.474 3.686) 4.063 8.113 ( 8.793 3.497 5.317) 10.854 8.531 ( -6.487 -4.418 -2.652) 8.284 8.856 ( 1.737 1.782 -0.920) 2.653 9.260 ( -1.621 -1.775 0.919) 2.573 10.300 ( -2.043 0.367 -6.470) 6.794 12.462 ( 0.232 -2.641 -5.173) 5.813 12.881 ( -0.508 -3.305 3.414) 4.779 13.505 ( 3.761 14.346 3.535) 15.246 13.891 ( 4.732 -12.387 15.150) 20.133 14.373 ( -2.958 7.008 2.025) 7.872 14.944 ( 3.481 -4.457 0.426) 5.671 15.216 ( 9.022 2.474 -5.856) 11.037 16.292 ( -0.682 3.703 9.028) 9.781 16.916 ( -10.687 -3.258 -11.846) 16.284 17.690 ( -0.681 -1.457 1.087) 1.941 17.732 ( -0.427 2.732 -5.430) 6.093 18.005 ( 0.769 -0.693 2.104) 2.344 ======================= Grid point 204 (114/226) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 4.019 -1.647 4.811) 6.482 2.412 ( -2.016 3.121 -0.657) 3.773 2.609 ( 0.345 8.413 6.393) 10.572 2.789 ( -3.451 2.968 -4.158) 6.165 3.125 ( 1.403 -8.198 -3.049) 8.858 3.508 ( 7.177 -9.878 -0.689) 12.229 3.706 ( -7.467 -5.103 -4.740) 10.211 4.214 ( -1.021 1.082 -2.594) 2.991 4.601 ( 2.453 -0.507 0.478) 2.551 5.691 ( -15.461 17.998 4.601) 24.169 6.578 ( 13.900 -9.088 1.660) 16.690 6.979 ( -0.285 -0.101 0.317) 0.438 8.087 ( 0.938 0.058 1.907) 2.126 8.313 ( 3.180 6.165 3.604) 7.817 8.386 ( 2.056 -9.128 -2.788) 9.763 8.915 ( 4.038 1.797 -1.160) 4.570 9.202 ( -2.989 -2.700 0.306) 4.040 10.175 ( -8.245 -1.466 -4.038) 9.297 12.435 ( 1.947 -3.783 -2.246) 4.811 12.901 ( 2.221 3.915 -0.798) 4.571 13.720 ( 2.649 9.772 1.710) 10.268 13.915 ( 2.595 -10.641 17.433) 20.588 14.344 ( -6.663 7.990 -2.898) 10.799 15.021 ( 11.936 -9.825 0.821) 15.481 15.369 ( 7.436 7.726 -7.105) 12.864 16.352 ( 1.118 -4.805 8.917) 10.191 16.650 ( -13.502 3.538 -7.131) 15.674 17.676 ( -0.594 -1.195 2.105) 2.493 17.707 ( -1.402 2.475 -5.857) 6.512 18.005 ( -0.149 -1.719 0.446) 1.782 ======================= Grid point 205 (115/226) ======================= q-point: ( 0.45 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -0.186 -3.735 -1.591) 4.064 2.438 ( -0.949 3.337 3.149) 4.685 2.691 ( -0.698 1.354 1.078) 1.866 2.724 ( -4.736 4.593 -1.542) 6.776 3.075 ( 2.157 -5.517 0.512) 5.946 3.457 ( 1.779 -6.817 -6.241) 9.412 3.634 ( 1.458 -2.040 2.393) 3.466 4.219 ( 0.724 3.184 -1.319) 3.522 4.685 ( 7.065 -1.303 1.986) 7.454 5.591 ( -16.336 11.441 2.807) 20.141 6.612 ( 0.705 -7.437 -0.363) 7.479 7.051 ( 5.829 0.430 2.600) 6.398 8.107 ( -1.122 1.962 -1.219) 2.568 8.266 ( 1.478 -4.583 -2.960) 5.653 8.523 ( 9.072 0.621 2.566) 9.448 8.996 ( 2.261 3.083 -2.309) 4.466 9.134 ( 0.013 -3.544 0.921) 3.661 9.975 ( -11.597 -1.818 -0.311) 11.743 12.407 ( 0.901 -6.217 1.196) 6.395 13.012 ( 4.176 10.284 -5.341) 12.318 13.702 ( -6.150 -0.464 -0.444) 6.183 14.066 ( 8.026 -6.755 16.233) 19.328 14.320 ( -1.942 7.908 -4.401) 9.256 15.121 ( 13.028 -12.943 -1.813) 18.453 15.490 ( 2.115 10.843 -10.917) 15.531 16.295 ( -2.218 -7.925 -2.859) 8.713 16.522 ( -9.368 7.154 11.717) 16.620 17.667 ( -1.686 1.920 -3.356) 4.218 17.675 ( -0.189 -0.363 0.704) 0.814 17.981 ( -0.509 -1.878 -0.145) 1.951 ======================= Grid point 206 (116/226) ======================= q-point: (-0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -0.765 -3.973 -1.728) 4.400 2.445 ( -0.408 1.818 -2.853) 3.408 2.619 ( -4.085 -3.171 -1.030) 5.273 2.721 ( -0.375 0.359 -0.084) 0.526 3.116 ( 1.805 2.535 6.157) 6.899 3.425 ( 3.273 -2.798 -3.741) 5.704 3.675 ( 1.323 1.911 3.044) 3.830 4.280 ( 2.197 4.805 -0.126) 5.285 4.798 ( 6.907 -3.947 2.460) 8.327 5.404 ( -13.810 0.228 0.047) 13.812 6.539 ( -2.210 -0.844 -1.689) 2.906 7.135 ( 2.306 -1.799 2.111) 3.607 8.069 ( -0.893 -1.293 -3.497) 3.834 8.279 ( 4.168 -1.736 -2.966) 5.402 8.674 ( 5.855 1.895 1.324) 6.295 8.955 ( -5.016 1.753 -2.677) 5.949 9.221 ( 9.432 -0.374 0.737) 9.468 9.779 ( -10.847 -1.379 4.413) 11.791 12.372 ( 0.563 -5.048 2.258) 5.559 13.131 ( 0.860 9.808 -3.693) 10.515 13.604 ( -1.904 0.492 -6.320) 6.619 14.124 ( 2.655 -14.817 7.735) 16.924 14.378 ( 0.253 5.294 1.021) 5.397 15.168 ( 10.449 -12.820 -7.198) 18.038 15.504 ( -2.936 10.659 -14.178) 17.979 16.212 ( -0.651 2.240 -1.843) 2.973 16.537 ( -6.308 0.929 18.724) 19.779 17.642 ( -1.040 2.775 -3.683) 4.727 17.683 ( 0.300 -0.666 2.404) 2.513 17.962 ( 0.369 -1.251 0.319) 1.343 ======================= Grid point 207 (117/226) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 1.246 -7.588 -3.381) 8.400 2.455 ( 4.515 -1.161 -6.114) 7.688 2.508 ( -4.386 -3.688 0.066) 5.731 2.712 ( -1.442 1.166 0.630) 1.959 3.211 ( -1.511 7.055 5.799) 9.256 3.485 ( 6.261 1.836 1.859) 6.784 3.740 ( 0.095 4.682 3.003) 5.564 4.363 ( 0.423 6.459 0.828) 6.526 4.838 ( -0.003 -3.208 0.933) 3.341 5.166 ( -3.822 -15.800 -1.546) 16.329 6.533 ( -0.365 6.794 -2.532) 7.260 7.113 ( -2.087 -3.822 0.178) 4.358 8.021 ( 0.893 -4.593 -3.994) 6.152 8.294 ( 1.103 -0.883 -4.099) 4.335 8.731 ( -3.075 3.143 0.645) 4.444 8.939 ( 1.769 5.453 -0.949) 5.810 9.345 ( 3.184 -0.938 -1.611) 3.690 9.698 ( -0.055 -0.562 9.068) 9.086 12.365 ( 1.219 -1.917 1.685) 2.829 13.167 ( -3.090 4.503 -0.720) 5.509 13.583 ( 3.158 2.552 -10.314) 11.085 13.994 ( -3.725 -17.086 4.397) 18.032 14.366 ( -2.643 -4.501 -1.272) 5.372 15.138 ( 5.387 -7.165 -11.803) 14.821 15.468 ( -2.238 9.053 -12.769) 15.812 16.301 ( 5.311 6.016 2.572) 8.427 16.538 ( -7.234 -0.702 18.696) 20.059 17.644 ( -0.474 3.259 -1.374) 3.568 17.701 ( 1.134 -0.561 1.604) 2.043 17.977 ( 1.759 -0.323 1.014) 2.056 ======================= Grid point 208 (118/226) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 2.740 -12.788 -7.884) 15.271 2.387 ( -1.779 -9.584 0.746) 9.776 2.484 ( 2.805 -3.913 -4.083) 6.313 2.739 ( -0.055 9.239 1.332) 9.335 3.288 ( -1.173 9.085 2.992) 9.637 3.654 ( 4.030 7.951 3.333) 9.516 3.795 ( -1.484 4.371 4.913) 6.741 4.420 ( -1.949 7.755 0.753) 8.032 4.736 ( -10.181 2.247 -1.138) 10.488 5.014 ( 13.285 -30.522 -1.046) 33.304 6.607 ( 0.465 10.606 -3.231) 11.097 7.022 ( -3.072 -4.467 -0.502) 5.444 7.955 ( 0.937 -6.735 -4.684) 8.258 8.242 ( -2.377 -1.987 -5.044) 5.920 8.707 ( -5.483 6.763 3.255) 9.295 9.054 ( 3.410 7.728 -0.809) 8.485 9.279 ( -5.744 -2.959 0.530) 6.483 9.869 ( 11.907 0.304 6.687) 13.660 12.397 ( 2.088 1.468 0.285) 2.568 13.112 ( -4.213 -0.819 -3.129) 5.311 13.604 ( 2.819 -0.318 -5.352) 6.057 13.766 ( -7.348 -12.659 2.297) 14.816 14.213 ( -2.420 -11.820 -5.568) 13.288 15.089 ( 3.017 -3.439 -10.590) 11.536 15.442 ( -2.758 8.437 -10.428) 13.694 16.407 ( -4.086 -1.108 7.932) 8.991 16.612 ( 5.552 6.732 12.939) 15.606 17.664 ( -0.482 2.714 0.819) 2.876 17.730 ( 1.961 0.016 0.143) 1.967 18.015 ( 1.555 0.227 0.926) 1.824 ======================= Grid point 209 (119/226) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 3.833 -15.279 -10.414) 18.884 2.271 ( 1.846 -15.629 1.163) 15.781 2.442 ( -2.824 0.316 -0.353) 2.864 2.902 ( 5.172 11.078 1.507) 12.318 3.354 ( -3.266 7.865 -0.068) 8.516 3.734 ( -4.294 9.347 -2.476) 10.580 3.852 ( -2.142 4.669 7.404) 9.012 4.475 ( 0.047 7.731 -3.626) 8.539 4.620 ( -5.232 2.321 5.166) 7.711 4.972 ( 18.258 -32.055 -2.216) 36.957 6.672 ( -3.384 9.795 -3.174) 10.838 6.961 ( 0.951 -2.561 0.873) 2.868 7.878 ( 1.265 -6.653 -4.966) 8.398 8.125 ( -4.807 -2.736 -4.614) 7.203 8.726 ( -4.641 8.710 5.301) 11.203 9.140 ( -5.101 5.307 -3.218) 8.034 9.178 ( 0.791 -1.682 3.773) 4.206 10.107 ( 11.852 0.379 2.337) 12.086 12.458 ( 2.407 4.001 -1.915) 5.047 12.995 ( -3.903 -3.466 -2.166) 5.651 13.565 ( -1.916 -10.545 2.312) 10.964 13.586 ( -3.935 -3.025 -2.689) 5.645 14.054 ( 2.878 -11.741 -5.994) 13.493 15.036 ( 1.487 -4.215 -7.609) 8.825 15.409 ( -4.405 8.440 -7.613) 12.190 16.325 ( -8.300 -1.597 8.385) 11.906 16.910 ( 11.078 8.511 9.752) 17.037 17.688 ( 0.130 1.461 1.420) 2.041 17.762 ( 1.706 0.634 -1.180) 2.169 18.024 ( -1.117 -0.431 -0.317) 1.239 ======================= Grid point 210 (120/226) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 8.300 -12.944 -7.816) 17.249 2.173 ( 5.228 -17.475 0.189) 18.241 2.414 ( -3.469 4.737 0.938) 5.946 3.057 ( -3.111 7.022 4.749) 9.030 3.320 ( -3.958 5.689 -5.207) 8.668 3.719 ( -7.553 9.446 0.994) 12.135 3.890 ( 0.337 4.364 -0.174) 4.381 4.480 ( -0.661 2.349 -5.929) 6.411 4.701 ( 1.914 6.037 8.498) 10.599 4.981 ( 20.498 -28.964 -3.093) 35.618 6.631 ( -8.768 6.551 -0.756) 10.971 7.022 ( 5.415 0.746 1.531) 5.676 7.807 ( 0.768 -6.190 -4.687) 7.802 8.006 ( -3.554 -1.493 -2.030) 4.357 8.771 ( -4.073 8.714 4.991) 10.836 9.045 ( -5.627 -0.187 0.654) 5.668 9.223 ( 0.599 1.633 -0.110) 1.743 10.266 ( 7.043 -0.163 -2.952) 7.638 12.527 ( 2.996 5.516 -4.394) 7.662 12.947 ( 0.589 -0.673 3.978) 4.077 13.399 ( -2.558 -17.918 3.758) 18.486 13.510 ( -3.245 3.547 -4.955) 6.904 14.021 ( 7.484 -10.329 -1.431) 12.835 14.972 ( 2.077 -6.380 -5.329) 8.568 15.363 ( -6.292 8.250 -4.851) 11.453 16.229 ( -8.103 0.697 7.048) 10.762 17.225 ( 9.845 8.690 7.860) 15.304 17.717 ( 1.727 0.276 0.662) 1.870 17.774 ( -0.023 0.790 -2.984) 3.087 17.958 ( -4.240 -2.468 -1.420) 5.107 ======================= Grid point 213 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 16.583 -8.772 2.766) 18.963 2.281 ( 13.157 5.413 4.209) 14.837 2.497 ( 0.008 -1.266 -2.542) 2.840 2.775 ( -10.439 1.319 0.321) 10.527 3.344 ( -7.612 3.152 -0.593) 8.260 3.614 ( -8.726 -1.223 3.996) 9.675 4.115 ( 1.670 0.785 -8.528) 8.725 4.304 ( -2.226 -1.946 3.028) 4.232 4.776 ( -5.129 -2.346 -0.528) 5.665 5.090 ( 31.016 -5.345 -4.990) 31.866 6.507 ( -12.681 6.546 1.805) 14.385 7.059 ( 2.189 -4.532 -2.184) 5.487 7.789 ( 7.538 -0.879 3.428) 8.328 8.051 ( 0.663 -1.144 4.298) 4.497 8.849 ( -10.065 1.927 -3.445) 10.811 8.936 ( -7.077 3.953 3.914) 9.002 9.243 ( 3.222 -1.821 2.138) 4.274 10.211 ( 5.961 0.497 -8.909) 10.731 12.478 ( 0.767 -4.304 -3.703) 5.729 12.939 ( -2.600 -1.459 2.979) 4.215 13.507 ( -4.510 9.275 0.623) 10.332 13.631 ( 9.430 -6.694 11.002) 15.962 14.046 ( 15.802 -5.719 1.311) 16.856 14.833 ( 9.144 -2.692 1.717) 9.686 15.280 ( -11.224 4.184 -0.990) 12.019 16.401 ( -6.130 6.872 6.059) 11.023 17.187 ( -5.970 -3.792 -14.786) 16.390 17.698 ( 0.175 0.387 1.045) 1.128 17.733 ( 0.288 0.324 -1.774) 1.826 17.967 ( 1.752 0.471 3.953) 4.349 ======================= Grid point 214 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 13.076 -5.889 5.154) 15.239 2.418 ( -0.447 -0.224 -1.564) 1.642 2.623 ( 11.412 7.466 1.281) 13.697 2.670 ( -3.379 0.926 0.314) 3.517 3.228 ( -7.687 -0.299 -0.592) 7.715 3.492 ( -6.712 -2.484 3.860) 8.132 3.977 ( -7.259 -5.294 -8.432) 12.322 4.277 ( -2.275 0.676 1.951) 3.072 4.665 ( -4.981 0.265 -2.869) 5.754 5.578 ( 30.925 0.388 -1.229) 30.952 6.366 ( -12.286 4.824 2.441) 13.423 7.029 ( -0.313 -2.337 -1.454) 2.770 7.955 ( 10.773 -1.586 3.013) 11.298 8.064 ( 0.640 -2.959 3.986) 5.005 8.662 ( -11.051 0.752 -3.309) 11.560 8.897 ( -3.714 2.273 3.202) 5.405 9.267 ( 0.190 -1.305 0.710) 1.498 10.257 ( 3.139 1.331 -6.412) 7.262 12.425 ( -1.039 -1.821 -2.399) 3.186 12.899 ( -2.322 -1.080 2.686) 3.712 13.561 ( 3.042 3.057 4.650) 6.342 13.761 ( 6.876 -5.250 4.818) 9.902 14.283 ( 15.385 -2.005 0.119) 15.515 14.948 ( -0.031 -1.401 3.984) 4.223 15.151 ( -3.108 3.926 -1.087) 5.124 16.379 ( -3.652 -0.904 3.686) 5.267 16.999 ( -7.170 3.609 -10.719) 13.391 17.697 ( -0.399 -1.545 2.545) 3.004 17.731 ( -0.255 2.561 -4.429) 5.123 18.002 ( 0.406 -1.149 2.591) 2.864 ======================= Grid point 215 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 6.742 -5.668 5.409) 10.336 2.407 ( 2.499 0.490 -2.892) 3.853 2.680 ( 2.744 0.403 -0.060) 2.774 2.855 ( 2.750 11.436 1.686) 11.883 3.081 ( -5.963 -4.854 -1.012) 7.755 3.380 ( -3.477 -6.724 1.080) 7.646 3.755 ( -7.012 -3.515 -4.980) 9.291 4.267 ( -2.565 3.540 1.560) 4.642 4.597 ( -1.837 1.199 -2.202) 3.108 6.021 ( 9.038 12.182 0.394) 15.174 6.247 ( 2.857 -8.122 1.973) 8.833 6.993 ( -1.453 0.048 -0.794) 1.656 8.056 ( 1.814 -2.467 1.401) 3.367 8.147 ( 10.752 -4.923 2.940) 12.186 8.478 ( -9.352 2.223 -3.321) 10.170 8.901 ( -0.094 1.507 2.914) 3.281 9.235 ( -2.509 -1.057 -0.614) 2.790 10.237 ( -3.042 0.150 -3.380) 4.550 12.387 ( -0.626 -0.908 -1.567) 1.916 12.895 ( 0.896 1.650 0.986) 2.121 13.713 ( 8.849 -0.707 6.597) 11.060 13.818 ( 3.584 -4.979 1.549) 6.327 14.472 ( 5.459 3.644 -1.876) 6.826 14.826 ( -5.027 -6.599 0.291) 8.301 15.285 ( 8.399 5.802 0.504) 10.220 16.309 ( -1.066 -8.277 1.558) 8.490 16.883 ( -9.399 9.730 -3.753) 14.039 17.695 ( -0.701 -0.409 2.721) 2.840 17.714 ( -1.006 2.052 -4.621) 5.155 17.995 ( -0.359 -2.282 1.062) 2.543 ======================= Grid point 216 (124/226) ======================= q-point: (-0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 2.238 -7.022 -1.188) 7.465 2.483 ( 2.193 2.672 1.336) 3.706 2.712 ( -0.652 -0.150 -1.192) 1.367 2.910 ( -7.617 8.285 -0.131) 11.255 2.969 ( 2.315 -7.257 0.408) 7.629 3.301 ( 2.711 -5.779 -2.038) 6.701 3.664 ( -2.137 2.195 1.915) 3.613 4.278 ( -2.454 6.157 0.017) 6.629 4.611 ( 2.925 0.323 1.292) 3.214 5.931 ( -16.175 1.133 -0.849) 16.237 6.449 ( 14.080 -2.543 0.338) 14.311 6.994 ( 1.787 0.881 0.750) 2.128 8.082 ( 3.305 -1.004 -0.829) 3.552 8.176 ( 0.246 -9.360 -2.551) 9.705 8.457 ( 3.512 6.637 0.742) 7.545 8.958 ( 3.180 1.742 2.128) 4.204 9.163 ( -4.125 -1.136 -0.959) 4.385 10.126 ( -8.305 -0.658 0.253) 8.335 12.357 ( -0.510 -3.053 0.533) 3.141 12.981 ( 5.316 6.399 -3.098) 8.877 13.796 ( -3.037 -0.046 -1.748) 3.504 13.881 ( 10.581 -9.408 6.419) 15.546 14.475 ( -8.179 7.919 -1.079) 11.435 14.777 ( 10.390 -13.131 -2.409) 16.916 15.464 ( 6.022 7.336 -4.909) 10.685 16.226 ( 0.223 -8.029 1.513) 8.173 16.824 ( -9.774 10.003 5.006) 14.855 17.678 ( -1.191 2.209 -5.729) 6.255 17.703 ( -1.173 -0.306 4.295) 4.463 17.966 ( -0.424 -2.527 -0.048) 2.563 ======================= Grid point 217 (125/226) ======================= q-point: (-0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 1.811 -8.295 -4.104) 9.430 2.469 ( -3.704 -1.066 -2.261) 4.468 2.631 ( -3.536 -2.985 -3.893) 6.047 2.837 ( -7.981 5.912 1.501) 10.045 3.080 ( 11.285 -0.559 6.482) 13.026 3.309 ( 2.858 -1.117 -2.077) 3.705 3.722 ( 0.653 6.322 4.253) 7.648 4.304 ( -0.125 4.916 -1.214) 5.066 4.692 ( 4.240 -1.968 4.905) 6.776 5.607 ( -15.713 -8.726 -4.743) 18.589 6.565 ( 1.000 4.036 -0.978) 4.271 7.066 ( 4.558 -1.883 2.158) 5.383 8.040 ( -2.018 -5.142 -5.087) 7.509 8.150 ( 5.970 -2.136 -3.081) 7.050 8.622 ( 6.245 6.458 2.188) 9.246 9.026 ( -1.355 3.186 -3.561) 4.966 9.109 ( 2.742 -1.843 3.698) 4.959 9.972 ( -10.514 -0.830 3.979) 11.272 12.324 ( 0.131 -4.675 2.443) 5.277 13.137 ( 6.883 9.269 -5.217) 12.669 13.687 ( -8.834 2.239 -4.502) 10.165 13.927 ( 6.155 -13.862 0.150) 15.168 14.434 ( -1.975 -0.603 2.760) 3.447 14.813 ( 10.377 -11.555 -6.073) 16.676 15.541 ( 0.812 7.378 -10.971) 13.246 16.215 ( 1.870 0.139 2.919) 3.470 16.805 ( -8.930 6.069 13.555) 17.329 17.651 ( -0.500 2.676 -5.378) 6.028 17.706 ( -1.140 -0.718 4.483) 4.682 17.940 ( 0.309 -2.076 -0.337) 2.126 ======================= Grid point 218 (126/226) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 0.724 -11.703 -6.362) 13.340 2.356 ( -2.416 -5.850 -6.841) 9.320 2.539 ( -2.181 -0.999 -2.393) 3.388 2.809 ( -4.130 6.108 4.613) 8.697 3.331 ( 0.912 7.452 7.332) 10.494 3.357 ( 11.487 0.518 1.015) 11.544 3.818 ( -0.466 7.611 2.745) 8.104 4.360 ( 4.538 0.478 -1.036) 4.679 4.725 ( 0.716 -9.013 6.357) 11.052 5.228 ( -13.540 -8.804 -8.076) 18.057 6.606 ( -1.067 7.799 -1.246) 7.969 7.086 ( 0.364 -5.168 1.284) 5.337 7.946 ( -0.165 -4.324 -5.703) 7.159 8.200 ( 4.672 -1.875 -5.009) 7.102 8.783 ( 2.764 6.354 2.780) 7.466 8.992 ( -1.697 5.716 -2.049) 6.305 9.220 ( 7.402 -1.504 0.963) 7.614 9.829 ( -8.807 -1.299 7.354) 11.547 12.311 ( 1.872 -4.587 3.106) 5.847 13.289 ( 0.900 9.728 -1.827) 9.939 13.518 ( -5.169 -0.534 -10.341) 11.574 13.855 ( 2.327 -13.360 -1.638) 13.660 14.367 ( -3.116 -8.584 -0.621) 9.153 14.826 ( 9.600 -9.983 -9.254) 16.657 15.535 ( -1.697 8.414 -10.517) 13.575 16.316 ( 3.403 7.212 2.937) 8.498 16.794 ( -9.122 1.898 18.456) 20.674 17.656 ( 1.034 3.440 -3.722) 5.172 17.705 ( -0.749 -1.366 3.713) 4.027 17.940 ( 1.902 -1.444 -0.019) 2.388 ======================= Grid point 219 (127/226) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.239 -14.915 -9.816) 17.857 2.196 ( 1.020 -15.779 -6.936) 17.266 2.519 ( -1.906 4.683 0.261) 5.063 2.865 ( -1.910 9.134 4.669) 10.435 3.384 ( -0.637 5.468 1.228) 5.640 3.636 ( 11.167 4.219 7.319) 14.002 3.881 ( -1.650 6.735 1.371) 7.068 4.434 ( 8.555 -8.330 -0.290) 11.944 4.613 ( -2.711 -12.168 1.130) 12.517 4.944 ( -11.014 0.154 -4.709) 11.979 6.674 ( 0.634 8.463 -1.383) 8.598 7.010 ( -2.364 -6.762 0.122) 7.164 7.871 ( -0.377 -3.472 -5.754) 6.731 8.198 ( 1.334 -2.427 -5.705) 6.342 8.853 ( -2.158 5.868 3.925) 7.382 9.088 ( 2.666 9.818 0.384) 10.180 9.275 ( 1.839 -3.330 -3.226) 4.988 9.792 ( 1.158 -1.513 9.107) 9.304 12.339 ( 3.907 -3.150 2.437) 5.579 13.201 ( -10.029 -2.716 -4.836) 11.461 13.503 ( 5.493 0.488 -4.273) 6.976 13.750 ( -2.062 -6.295 -1.700) 6.839 14.158 ( -6.935 -10.632 -7.202) 14.595 14.836 ( 9.352 -8.098 -11.018) 16.567 15.528 ( -2.499 8.428 -7.155) 11.335 16.478 ( 3.269 8.152 3.672) 9.520 16.770 ( -7.441 0.986 18.397) 19.870 17.695 ( -0.020 1.360 0.582) 1.479 17.705 ( 1.429 0.476 0.285) 1.532 17.973 ( 3.227 -0.963 0.016) 3.367 ======================= Grid point 220 (128/226) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 1.801 -17.400 -12.604) 21.561 2.020 ( 3.816 -22.351 -2.866) 22.854 2.546 ( -3.260 7.408 1.722) 8.274 2.972 ( 1.457 10.559 2.175) 10.879 3.424 ( 0.758 0.058 0.741) 1.062 3.854 ( 0.152 9.589 0.224) 9.593 3.901 ( 3.437 -3.430 2.385) 5.410 4.446 ( 9.245 -20.234 2.742) 22.415 4.533 ( -1.358 6.968 -6.826) 9.849 4.784 ( -8.318 1.658 2.337) 8.797 6.753 ( 0.490 6.373 -1.900) 6.668 6.917 ( -0.207 -6.004 0.749) 6.054 7.801 ( -0.796 -1.904 -5.124) 5.524 8.132 ( -2.184 -2.485 -4.936) 5.942 8.901 ( -3.234 6.841 6.000) 9.657 9.166 ( -0.918 -5.269 1.226) 5.487 9.248 ( -1.115 10.579 -4.292) 11.471 9.927 ( 10.026 -1.947 5.226) 11.473 12.402 ( 4.799 -0.897 -0.370) 4.896 12.985 ( -3.863 -9.534 -3.128) 10.752 13.508 ( -1.880 -9.919 2.196) 10.331 13.657 ( -5.183 3.788 -2.713) 6.970 13.924 ( -2.852 -5.899 -9.197) 11.292 14.836 ( 7.118 -7.250 -10.927) 14.921 15.522 ( -3.237 7.658 -4.530) 9.468 16.529 ( -8.023 2.468 9.265) 12.502 16.891 ( 6.824 6.684 11.722) 15.121 17.688 ( 0.164 -2.028 0.751) 2.169 17.754 ( 1.121 2.968 -0.457) 3.206 18.008 ( 1.765 -1.095 -1.079) 2.341 ======================= Grid point 221 (129/226) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 8.338 -16.725 -10.605) 21.487 1.879 ( 6.976 -23.010 0.349) 24.046 2.561 ( -5.456 8.073 2.500) 10.059 3.158 ( 6.884 11.485 0.747) 13.410 3.388 ( -3.342 -3.398 -2.148) 5.228 3.779 ( -2.214 -5.044 -5.323) 7.660 3.991 ( -0.983 2.786 3.117) 4.295 4.463 ( 8.984 -6.574 -2.714) 11.459 4.507 ( -2.489 -0.332 -4.521) 5.171 4.773 ( 0.687 2.902 6.862) 7.482 6.755 ( -2.645 1.335 -1.224) 3.205 6.937 ( 5.064 -1.785 1.244) 5.512 7.749 ( -1.063 -0.304 -3.784) 3.942 8.036 ( -3.406 -1.696 -2.662) 4.644 8.940 ( -3.128 4.346 6.313) 8.278 9.091 ( -1.815 -3.390 0.705) 3.909 9.294 ( -3.967 9.375 -3.177) 10.665 10.092 ( 9.792 -2.727 -1.279) 10.245 12.461 ( 4.606 0.770 -5.489) 7.207 12.909 ( 4.159 -7.092 4.793) 9.517 13.301 ( -4.597 -17.220 1.973) 17.932 13.623 ( -5.613 9.669 -2.794) 11.523 13.852 ( 2.305 -4.318 -2.604) 5.544 14.794 ( 4.290 -7.737 -9.723) 13.145 15.511 ( -4.237 7.035 -2.562) 8.602 16.452 ( -9.972 2.901 9.981) 14.404 17.185 ( 10.776 8.113 9.060) 16.249 17.674 ( 0.990 -2.360 -1.869) 3.169 17.784 ( -0.142 2.027 -0.798) 2.183 17.976 ( -2.200 -2.785 -2.596) 4.397 ======================= Grid point 224 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 19.269 -7.968 6.146) 21.738 1.979 ( 23.044 -3.805 1.636) 23.413 2.574 ( -8.863 1.754 -1.143) 9.107 2.993 ( -9.144 3.773 -0.255) 9.895 3.455 ( -1.645 -0.816 -2.315) 2.955 3.801 ( -10.600 -0.908 4.899) 11.713 3.922 ( 17.622 1.298 -0.005) 17.670 4.382 ( -4.372 -1.249 7.101) 8.431 4.583 ( 14.210 -0.973 -10.287) 17.570 4.828 ( -3.451 -1.861 -1.662) 4.258 6.726 ( -5.742 3.218 1.108) 6.675 6.947 ( 4.985 -2.603 -2.355) 6.097 7.725 ( 0.889 -0.612 2.953) 3.144 8.052 ( 0.607 -1.519 3.647) 3.997 8.999 ( -9.003 2.023 -4.576) 10.299 9.113 ( 1.530 -1.910 6.484) 6.930 9.206 ( -6.144 3.581 0.453) 7.126 10.048 ( 7.822 1.059 -7.362) 10.794 12.404 ( 2.952 -1.839 -0.391) 3.500 12.946 ( 4.393 -1.004 0.094) 4.508 13.482 ( 9.069 -6.784 6.430) 13.024 13.646 ( -6.695 0.759 -2.706) 7.261 13.791 ( 6.547 -1.743 5.187) 8.532 14.689 ( 9.167 -0.015 4.818) 10.356 15.476 ( -8.397 2.082 0.616) 8.673 16.597 ( -8.576 2.561 1.291) 9.043 17.151 ( -3.004 1.180 -15.634) 15.964 17.683 ( 1.419 -2.711 1.500) 3.408 17.744 ( -0.517 2.676 0.477) 2.767 17.962 ( 2.077 0.093 3.885) 4.406 ======================= Grid point 225 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 17.315 -3.891 7.023) 19.085 2.299 ( 19.494 -5.872 -1.492) 20.414 2.447 ( -5.262 -0.674 -1.102) 5.418 2.908 ( -8.775 11.599 0.947) 14.575 3.351 ( -7.431 -2.909 0.261) 7.984 3.664 ( -10.150 0.877 5.046) 11.369 3.986 ( -4.355 -3.281 -6.957) 8.839 4.364 ( -3.477 1.337 6.823) 7.774 4.734 ( -4.686 1.548 -5.529) 7.411 4.968 ( 36.066 -2.243 -1.873) 36.184 6.629 ( -10.659 3.070 1.415) 11.182 6.987 ( 2.632 0.158 -1.846) 3.219 7.800 ( 7.104 -1.939 3.313) 8.075 8.051 ( -0.078 -3.686 3.372) 4.996 8.822 ( -10.219 0.856 -5.213) 11.503 9.052 ( -8.479 0.836 5.812) 10.313 9.226 ( 3.082 -0.858 -0.915) 3.327 10.165 ( 6.469 3.749 -3.679) 8.333 12.428 ( -0.226 0.672 1.414) 1.582 12.957 ( -2.241 0.486 0.714) 2.402 13.528 ( 0.683 -5.665 4.077) 7.013 13.616 ( 7.970 -4.840 -2.475) 9.648 13.988 ( 14.846 -0.319 1.022) 14.885 14.888 ( 8.784 0.539 7.822) 11.775 15.330 ( -11.318 1.132 1.204) 11.438 16.437 ( -6.787 -5.696 -3.328) 9.465 17.088 ( -3.246 10.197 -9.814) 14.520 17.696 ( 0.886 -1.080 2.299) 2.690 17.745 ( -1.161 1.805 -1.231) 2.474 17.997 ( 0.533 -1.827 2.780) 3.369 ======================= Grid point 226 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 11.962 -2.436 6.692) 13.921 2.359 ( -0.346 -0.863 -2.909) 3.054 2.501 ( 11.855 -6.851 -0.860) 13.719 2.948 ( -1.121 9.624 -0.845) 9.726 3.186 ( -8.567 -2.367 2.120) 9.137 3.503 ( -12.709 -1.111 1.902) 12.898 3.813 ( -6.037 -1.495 -3.362) 7.070 4.372 ( -2.786 4.035 5.268) 7.197 4.643 ( -4.164 2.835 -6.617) 8.316 5.566 ( 35.540 -0.570 0.834) 35.555 6.445 ( -14.154 -0.100 0.688) 14.171 7.012 ( 0.001 2.592 -1.610) 3.051 7.941 ( 9.505 -3.116 2.971) 10.435 8.030 ( 0.388 -4.465 2.602) 5.183 8.629 ( -9.833 1.402 -5.002) 11.121 8.975 ( -4.553 -0.352 4.774) 6.607 9.240 ( 0.342 -0.289 -2.280) 2.324 10.253 ( 1.066 3.163 -0.479) 3.372 12.421 ( -2.909 2.140 0.861) 3.713 12.927 ( -1.982 1.270 0.798) 2.486 13.553 ( 6.470 -6.530 3.518) 9.842 13.691 ( 8.159 -4.551 -3.424) 9.950 14.248 ( 15.757 -0.363 -0.304) 15.765 14.975 ( -7.590 -0.721 1.587) 7.788 15.234 ( 1.677 1.569 5.313) 5.788 16.263 ( -3.298 -8.090 -2.842) 9.187 17.082 ( -5.257 12.135 -5.515) 14.329 17.710 ( -0.403 1.611 -2.130) 2.701 17.738 ( -0.880 0.353 2.973) 3.120 17.983 ( -0.466 -3.245 1.273) 3.516 ======================= Grid point 227 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -0.112 -4.384 0.206) 4.391 2.427 ( 7.956 2.193 1.527) 8.393 2.607 ( 9.030 -5.093 -1.498) 10.475 2.886 ( -5.177 -9.066 -0.696) 10.463 3.136 ( -5.041 9.246 -0.811) 10.562 3.296 ( -7.688 -1.603 0.420) 7.865 3.756 ( -3.112 4.694 3.283) 6.519 4.405 ( -3.806 7.785 1.308) 8.764 4.591 ( 0.316 0.925 -2.291) 2.491 6.020 ( 10.914 -13.145 0.428) 17.091 6.233 ( -0.227 6.755 -1.768) 6.987 7.018 ( -1.546 3.337 -0.940) 3.796 8.015 ( 1.711 -2.952 0.217) 3.418 8.044 ( 4.843 -7.350 1.419) 8.915 8.515 ( -3.083 5.709 -2.610) 6.993 8.959 ( 0.119 -0.289 3.232) 3.247 9.206 ( -2.554 0.083 -2.047) 3.274 10.248 ( -4.995 1.703 2.179) 5.710 12.386 ( -3.766 1.178 0.756) 4.018 12.948 ( 2.351 3.498 -1.332) 4.420 13.627 ( 8.734 -8.087 -0.569) 11.917 13.760 ( 6.598 -3.285 -2.062) 7.654 14.468 ( 12.021 -3.654 -0.264) 12.567 14.742 ( -15.311 -1.365 0.120) 15.372 15.381 ( 7.484 2.932 -0.503) 8.054 16.159 ( 0.439 -6.687 1.847) 6.952 17.077 ( -6.586 11.383 -0.542) 13.162 17.687 ( -1.416 2.196 -5.125) 5.752 17.755 ( -1.310 -0.021 5.979) 6.121 17.945 ( -0.420 -3.509 -0.189) 3.540 ======================= Grid point 228 (134/226) ======================= q-point: (-0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -1.548 -7.868 -4.459) 9.175 2.496 ( -1.948 -1.571 -1.868) 3.123 2.665 ( -6.529 -2.794 -3.420) 7.882 2.787 ( 14.899 -8.985 3.138) 17.679 3.096 ( -7.600 9.752 1.344) 12.437 3.291 ( 2.518 3.548 2.310) 4.926 3.820 ( -0.513 8.097 5.352) 9.719 4.373 ( -5.184 3.831 -4.138) 7.660 4.661 ( 3.922 1.415 5.130) 6.610 5.694 ( -14.392 -17.654 -6.175) 23.600 6.514 ( 11.703 6.685 -0.887) 13.507 7.024 ( 0.050 1.167 0.556) 1.294 7.967 ( -0.572 -8.944 -2.676) 9.353 8.042 ( 2.993 -0.811 -2.349) 3.890 8.614 ( 5.035 8.614 1.892) 10.156 9.005 ( 3.199 1.240 -0.025) 3.431 9.141 ( -3.819 -0.556 0.628) 3.910 10.159 ( -9.048 0.651 4.263) 10.023 12.334 ( -3.405 -1.165 2.122) 4.178 13.056 ( 7.041 5.737 -4.194) 10.004 13.667 ( 7.676 -7.707 -5.708) 12.284 13.788 ( -0.308 -1.920 -2.244) 2.969 14.415 ( -3.879 -15.754 -2.815) 16.467 14.642 ( 0.574 2.024 2.662) 3.393 15.487 ( 4.751 4.125 -8.518) 10.590 16.190 ( 4.272 -0.829 6.908) 8.165 17.077 ( -7.269 9.097 6.023) 13.110 17.653 ( -1.098 2.403 -5.572) 6.167 17.757 ( -2.174 -1.254 6.055) 6.555 17.909 ( 0.310 -2.575 -1.003) 2.780 ======================= Grid point 229 (135/226) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -0.988 -12.971 -7.958) 15.250 2.341 ( -8.025 -9.593 -5.013) 13.474 2.540 ( -0.776 0.724 -3.419) 3.580 2.945 ( 2.436 0.560 6.099) 6.591 3.190 ( 7.376 8.663 2.426) 11.634 3.415 ( 2.303 6.901 4.653) 8.636 3.929 ( -0.622 9.100 3.914) 9.925 4.277 ( -1.697 -7.576 -1.327) 7.876 4.735 ( -1.077 -1.166 5.531) 5.754 5.267 ( -10.477 -12.389 -11.122) 19.671 6.673 ( 1.756 6.478 -1.079) 6.798 7.036 ( 0.903 -3.252 1.401) 3.654 7.866 ( 0.339 -5.216 -5.206) 7.377 8.076 ( 4.115 -1.208 -3.928) 5.816 8.807 ( 4.963 7.837 3.994) 10.100 9.050 ( -0.072 5.807 -4.801) 7.535 9.129 ( 2.731 -2.318 4.861) 6.038 10.023 ( -10.563 -0.651 5.597) 11.972 12.287 ( -1.562 -3.076 3.529) 4.935 13.225 ( 9.495 5.776 -5.148) 12.248 13.602 ( -5.873 -12.078 -4.423) 14.140 13.713 ( -0.699 5.700 -9.464) 11.070 14.219 ( 2.608 -19.177 -2.390) 19.500 14.648 ( 0.072 -3.369 -0.527) 3.411 15.538 ( 2.447 6.028 -8.935) 11.053 16.340 ( 5.080 5.795 6.154) 9.862 17.078 ( -8.430 5.368 13.233) 16.583 17.639 ( 0.880 2.812 -5.720) 6.434 17.735 ( -1.974 -2.659 4.817) 5.846 17.897 ( 1.116 -1.600 -0.537) 2.023 ======================= Grid point 230 (136/226) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -0.500 -16.773 -11.102) 20.121 2.042 ( -6.865 -16.677 -7.989) 19.725 2.581 ( 1.345 6.722 -0.268) 6.860 3.021 ( -1.849 6.421 7.807) 10.276 3.427 ( 5.604 7.601 -2.099) 9.674 3.475 ( 3.289 -8.825 6.504) 11.446 3.993 ( -1.522 7.153 0.157) 7.315 4.210 ( 4.344 -11.048 7.059) 13.811 4.660 ( -5.320 0.563 -4.293) 6.859 5.037 ( -4.656 -1.637 -6.615) 8.253 6.728 ( -0.005 4.741 -0.665) 4.788 6.986 ( -2.240 -6.296 0.866) 6.739 7.818 ( 0.800 -0.814 -5.568) 5.684 8.097 ( 3.325 -2.028 -4.946) 6.295 8.930 ( 1.463 3.075 4.595) 5.719 9.146 ( 2.396 9.538 1.217) 9.910 9.177 ( 3.520 -0.598 -2.354) 4.276 9.889 ( -7.592 -1.901 6.775) 10.352 12.274 ( 1.407 -4.019 4.214) 5.991 13.254 ( -9.093 -14.381 -7.886) 18.753 13.413 ( 4.750 3.781 -2.465) 6.552 13.729 ( 0.948 7.326 -8.392) 11.180 14.063 ( 0.331 -15.503 -5.296) 16.386 14.605 ( 2.556 -5.631 -3.930) 7.327 15.576 ( 0.422 6.208 -6.008) 8.649 16.521 ( 4.205 9.576 3.182) 10.932 17.052 ( -10.388 1.969 17.956) 20.838 17.674 ( 3.634 2.934 -4.640) 6.584 17.704 ( -1.240 -3.204 3.291) 4.758 17.908 ( 2.318 -1.513 -0.145) 2.772 ======================= Grid point 231 (137/226) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -0.875 -18.741 -13.849) 23.320 1.735 ( -0.676 -23.097 -6.717) 24.063 2.676 ( -0.529 9.410 2.055) 9.646 3.007 ( -2.230 -14.864 1.250) 15.083 3.346 ( 1.853 -6.491 5.722) 8.849 3.682 ( 11.576 3.900 -2.219) 12.415 4.026 ( -5.190 8.548 -1.422) 10.101 4.299 ( 5.956 -0.726 10.300) 11.920 4.582 ( -2.686 5.812 -10.103) 11.961 4.916 ( -6.123 -1.102 -1.483) 6.396 6.769 ( 1.377 2.104 -0.788) 2.635 6.876 ( -2.570 -7.375 0.822) 7.853 7.797 ( -1.012 2.871 -4.323) 5.287 8.086 ( 1.321 -2.199 -4.614) 5.279 9.027 ( 2.087 4.766 5.859) 7.836 9.107 ( -2.599 -7.646 -1.452) 8.205 9.327 ( 2.598 13.223 -2.594) 13.723 9.851 ( 0.741 -2.304 6.401) 6.843 12.307 ( 4.077 -3.804 3.234) 6.446 12.913 ( -6.568 -16.210 -5.181) 18.241 13.446 ( 0.155 -7.343 -2.959) 7.918 13.778 ( -1.942 11.781 -3.905) 12.562 13.888 ( -3.151 -4.415 -7.630) 9.361 14.592 ( 6.160 -6.181 -6.263) 10.741 15.595 ( -1.104 4.991 -3.409) 6.144 16.683 ( 1.145 8.764 2.938) 9.314 17.016 ( -6.944 1.837 17.807) 19.201 17.668 ( -0.482 -3.731 1.310) 3.984 17.746 ( 3.199 3.095 -2.527) 5.118 17.938 ( 3.315 -1.918 -1.123) 3.992 ======================= Grid point 232 (138/226) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 4.124 -19.795 -12.680) 23.867 1.522 ( 6.705 -26.335 -1.336) 27.208 2.752 ( -3.212 9.259 2.549) 10.127 2.826 ( 14.553 -33.350 -3.899) 36.596 3.433 ( -0.121 8.659 4.762) 9.883 3.780 ( -3.689 0.735 -5.633) 6.773 4.027 ( -0.089 9.018 -0.804) 9.054 4.428 ( 0.373 2.437 4.392) 5.037 4.546 ( -1.798 5.507 -8.062) 9.927 4.823 ( -2.137 -1.516 2.604) 3.694 6.760 ( -0.845 -2.993 -0.652) 3.178 6.841 ( 3.965 -3.739 1.216) 5.584 7.785 ( -2.397 4.871 -2.610) 6.024 8.046 ( -1.240 -1.373 -2.709) 3.281 8.968 ( -1.625 -9.591 0.283) 9.732 9.141 ( -0.085 6.868 4.793) 8.375 9.433 ( -2.145 11.223 -3.917) 12.079 9.919 ( 6.334 -3.265 1.850) 7.362 12.349 ( 3.841 -2.775 -2.707) 5.457 12.736 ( 5.192 -14.968 3.358) 16.195 13.254 ( -6.033 -12.954 -1.706) 14.392 13.814 ( -2.337 7.565 -6.511) 10.251 13.825 ( -4.277 6.997 1.430) 8.324 14.592 ( 5.173 -5.794 -7.604) 10.870 15.599 ( -1.703 3.903 -1.469) 4.504 16.710 ( -8.703 4.646 8.800) 13.220 17.153 ( 7.364 6.400 11.159) 14.823 17.629 ( -0.225 -3.651 -0.956) 3.781 17.791 ( 0.837 1.913 -2.648) 3.373 17.942 ( 0.749 -2.773 -3.146) 4.260 ======================= Grid point 268 (139/226) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.000 0.000 21.238) 21.238 0.771 ( 0.000 0.000 21.238) 21.238 1.737 ( 0.000 -0.000 43.704) 43.704 3.056 ( -0.000 0.000 -2.581) 2.581 3.606 ( -0.000 0.000 -14.455) 14.455 3.606 ( -0.000 0.000 -14.455) 14.455 4.463 ( -0.000 0.000 -5.308) 5.308 4.570 ( 0.000 0.000 6.833) 6.833 4.570 ( 0.000 0.000 6.833) 6.833 5.716 ( -0.000 0.000 -8.103) 8.103 6.674 ( 0.000 0.000 1.365) 1.365 6.674 ( 0.000 -0.000 1.365) 1.365 8.042 ( 0.000 -0.000 2.043) 2.043 8.042 ( 0.000 -0.000 2.043) 2.043 8.666 ( 0.000 0.000 1.463) 1.463 8.666 ( 0.000 -0.000 1.463) 1.463 9.927 ( 0.000 -0.000 0.853) 0.853 10.294 ( -0.000 0.000 -1.448) 1.448 12.199 ( 0.000 0.000 1.528) 1.528 12.199 ( 0.000 0.000 1.528) 1.528 13.019 ( -0.000 0.000 -0.515) 0.515 13.019 ( 0.000 0.000 -0.515) 0.515 14.672 ( 0.000 0.000 9.448) 9.448 14.672 ( 0.000 -0.000 9.448) 9.448 15.657 ( 0.000 -0.000 1.542) 1.542 16.704 ( 0.000 -0.000 0.621) 0.621 17.380 ( -0.000 -0.000 -5.148) 5.148 17.380 ( -0.000 0.000 -5.148) 5.148 17.718 ( 0.000 -0.000 1.192) 1.192 17.906 ( 0.000 -0.000 1.715) 1.715 ======================= Grid point 269 (140/226) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 6.355 12.827 16.466) 21.819 1.253 ( 18.820 7.929 19.197) 28.028 2.168 ( 19.304 8.370 33.545) 39.598 2.947 ( -8.649 -2.450 -1.845) 9.176 3.391 ( -2.209 -5.714 -13.410) 14.743 3.648 ( 4.535 1.082 -14.427) 15.161 4.272 ( -12.852 -4.113 1.211) 13.548 4.564 ( 3.857 -8.961 0.941) 9.801 4.719 ( -0.485 8.978 3.346) 9.594 5.416 ( -17.383 -9.188 0.636) 19.672 6.670 ( 0.535 0.770 1.365) 1.656 6.766 ( 4.965 3.180 1.571) 6.102 8.029 ( -1.875 -2.455 3.375) 4.576 8.071 ( 0.461 1.075 2.992) 3.212 8.602 ( -1.853 0.297 -0.227) 1.891 8.910 ( 13.393 6.608 -3.204) 15.275 9.860 ( -6.586 -4.027 0.259) 7.723 10.162 ( -6.490 -5.505 1.823) 8.703 12.199 ( 5.241 -2.396 0.647) 5.799 12.399 ( 9.757 9.937 3.767) 14.427 12.926 ( -7.117 7.812 -3.504) 11.134 13.327 ( 21.344 3.367 -4.089) 21.992 14.623 ( -11.102 2.899 11.336) 16.130 14.748 ( 3.303 -7.628 10.478) 13.375 15.696 ( 2.329 1.368 2.567) 3.726 16.581 ( -11.226 -4.312 -2.739) 12.333 17.298 ( -5.967 5.457 -5.122) 9.572 17.391 ( 7.169 -4.493 -5.236) 9.949 17.769 ( 2.757 0.838 -0.654) 2.955 17.912 ( 0.069 -1.289 3.105) 3.363 ======================= Grid point 270 (141/226) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 11.261 15.512 10.382) 21.800 1.653 ( 8.866 4.373 20.471) 22.733 2.717 ( -2.288 -1.051 -2.068) 3.258 2.922 ( 24.563 13.470 12.354) 30.617 3.251 ( -0.197 -6.013 -3.402) 6.911 3.605 ( 2.980 -4.549 -13.589) 14.637 4.029 ( -12.681 -4.865 3.450) 14.014 4.471 ( -2.886 -12.531 -2.244) 13.053 4.752 ( -4.134 5.560 -0.390) 6.939 5.158 ( -10.339 1.250 5.086) 11.590 6.711 ( 2.074 0.409 1.588) 2.644 6.898 ( 5.165 4.312 1.618) 6.920 7.974 ( -3.495 -4.514 4.684) 7.385 8.100 ( -1.047 0.867 4.322) 4.531 8.612 ( 1.987 2.786 -2.066) 3.997 9.080 ( 3.709 1.771 -3.879) 5.652 9.654 ( -10.362 -7.131 0.173) 12.580 10.093 ( 2.403 -2.798 -0.405) 3.710 12.312 ( 11.822 -5.584 1.188) 13.128 12.700 ( 7.884 11.920 1.750) 14.398 12.904 ( -4.674 16.188 -1.885) 16.954 13.614 ( 13.837 -1.884 -0.985) 13.999 14.515 ( -14.477 3.627 14.954) 21.128 14.785 ( 4.723 -9.814 7.991) 13.508 15.776 ( 2.191 1.029 5.527) 6.034 16.270 ( -14.822 -5.285 -9.149) 18.203 17.243 ( -3.544 6.940 -6.726) 10.294 17.454 ( 8.062 -3.439 -5.050) 10.116 17.791 ( 0.399 0.608 -1.927) 2.060 17.925 ( 1.089 -3.042 4.406) 5.464 ======================= Grid point 271 (142/226) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 10.014 12.707 6.117) 17.297 1.925 ( 7.433 2.646 16.070) 17.902 2.605 ( -4.779 0.678 0.288) 4.835 3.053 ( -3.792 -4.312 -8.148) 9.968 3.468 ( 4.046 -7.595 -10.846) 13.846 3.743 ( 25.906 12.708 8.825) 30.175 3.799 ( -10.619 -6.483 4.133) 13.110 4.250 ( -5.477 -10.461 -4.820) 12.754 4.725 ( -1.799 0.836 -0.144) 1.989 5.114 ( -5.812 9.844 4.177) 12.171 6.733 ( -1.031 -2.200 1.462) 2.835 7.031 ( 4.337 4.809 1.292) 6.603 7.900 ( -2.749 -5.374 5.788) 8.362 8.103 ( -2.374 0.104 4.906) 5.451 8.678 ( 2.975 4.237 -3.127) 6.048 9.032 ( -5.349 -2.754 -2.298) 6.440 9.432 ( -7.917 -6.185 0.876) 10.085 10.148 ( 7.439 -1.703 -5.288) 9.285 12.480 ( 14.115 -7.312 1.837) 16.002 12.782 ( -2.454 9.166 -7.692) 12.215 13.117 ( -0.036 18.427 7.972) 20.078 13.783 ( 10.713 -2.298 3.691) 11.561 14.417 ( -13.651 2.974 19.758) 24.199 14.811 ( 4.424 -8.623 4.226) 10.573 15.785 ( -9.946 -2.354 1.161) 10.286 15.967 ( -2.523 -4.127 -7.572) 8.985 17.227 ( -1.588 8.536 -9.190) 12.643 17.518 ( 7.045 -3.503 -4.729) 9.180 17.784 ( -0.596 1.150 -1.965) 2.354 17.938 ( 1.095 -3.518 4.359) 5.707 ======================= Grid point 272 (143/226) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 6.878 8.502 3.987) 11.640 2.152 ( 8.142 1.303 8.653) 11.953 2.571 ( -4.432 1.597 3.728) 6.007 2.885 ( -5.843 -4.716 -3.089) 8.119 3.363 ( -0.580 -5.682 -6.996) 9.031 3.575 ( -6.545 -8.080 0.745) 10.425 4.081 ( -0.418 -6.657 -7.355) 9.929 4.229 ( 10.353 10.996 -1.616) 15.189 4.736 ( 3.213 -1.595 2.566) 4.411 5.224 ( 3.553 13.379 4.226) 14.474 6.612 ( -9.704 -6.541 1.046) 11.749 7.141 ( 2.278 4.877 0.492) 5.406 7.874 ( 1.058 -4.860 6.481) 8.169 8.091 ( -2.339 -0.558 5.206) 5.734 8.729 ( 0.368 4.162 -3.167) 5.243 8.874 ( -6.665 -4.197 -1.307) 7.984 9.312 ( -2.492 -2.537 1.775) 3.974 10.206 ( 6.597 -2.449 -8.925) 11.365 12.612 ( 5.078 -2.271 -1.930) 5.888 12.820 ( 6.563 3.454 -4.663) 8.761 13.212 ( -9.095 8.455 9.337) 15.537 14.005 ( 10.671 -0.698 6.992) 12.777 14.360 ( -12.929 4.467 22.961) 26.727 14.824 ( 4.278 -5.468 0.997) 7.013 15.467 ( -13.699 -4.158 -12.937) 19.295 15.991 ( 4.959 -3.473 5.285) 8.037 17.234 ( -0.816 9.709 -11.456) 15.039 17.560 ( 5.635 -4.042 -4.011) 8.011 17.776 ( -0.718 1.801 -1.683) 2.567 17.948 ( 0.926 -3.086 3.796) 4.979 ======================= Grid point 273 (144/226) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 4.660 4.223 4.044) 7.477 2.267 ( -0.299 -2.822 0.631) 2.907 2.492 ( -4.970 -1.545 5.552) 7.610 2.767 ( -2.892 -2.626 -0.253) 3.915 3.277 ( -1.608 -0.952 -2.463) 3.092 3.502 ( 2.458 0.106 0.095) 2.463 4.002 ( 3.682 -5.896 -9.449) 11.730 4.331 ( -0.720 4.785 -3.593) 6.027 4.799 ( 1.498 2.483 1.396) 3.218 5.444 ( 3.634 3.279 0.655) 4.938 6.371 ( -9.368 -3.371 2.571) 10.283 7.190 ( -1.459 3.391 -0.691) 3.756 7.886 ( 0.177 -5.427 6.057) 8.135 8.085 ( -1.281 -1.136 5.602) 5.858 8.742 ( -1.506 5.316 -2.785) 6.187 8.781 ( 1.312 -2.388 0.626) 2.796 9.296 ( -0.103 -0.526 1.802) 1.880 10.202 ( 3.308 -3.125 -11.096) 11.993 12.590 ( -2.515 1.150 -6.169) 6.760 12.984 ( 9.749 0.544 -0.234) 9.767 13.180 ( -5.401 3.266 9.095) 11.071 14.056 ( -6.594 -10.003 15.523) 19.608 14.345 ( -9.476 3.823 11.654) 15.499 14.924 ( 9.371 2.923 2.055) 10.029 15.153 ( -10.366 -3.736 -11.218) 15.724 16.100 ( 7.720 -2.578 6.120) 10.183 17.237 ( -1.324 9.822 -13.695) 16.905 17.585 ( 4.716 -3.932 -2.537) 6.643 17.773 ( -0.866 2.196 -1.405) 2.747 17.956 ( 0.833 -2.829 3.177) 4.335 ======================= Grid point 274 (145/226) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -14.188 -7.924 2.968) 16.520 2.232 ( -1.114 -4.304 4.699) 6.469 2.493 ( 0.377 -1.129 1.014) 1.564 2.768 ( 3.372 5.832 -0.826) 6.787 3.288 ( 3.342 2.457 -0.410) 4.168 3.616 ( 6.291 5.392 -0.033) 8.286 3.959 ( 4.960 -6.433 -10.131) 12.986 4.344 ( 0.633 2.359 0.225) 2.453 4.852 ( -0.181 5.353 0.659) 5.397 5.211 ( -21.115 -14.907 -3.106) 26.033 6.422 ( 8.020 7.268 2.990) 11.229 7.146 ( -5.303 0.860 -1.517) 5.583 7.833 ( -3.842 -5.140 5.322) 8.337 8.091 ( -0.665 -1.774 5.737) 6.042 8.804 ( 4.164 6.186 -3.025) 8.047 8.858 ( 7.248 1.332 2.598) 7.814 9.288 ( -1.791 -1.345 1.860) 2.911 10.122 ( -0.581 -3.391 -12.110) 12.589 12.504 ( -2.958 -1.029 -6.215) 6.959 13.070 ( -4.197 7.379 5.115) 9.911 13.288 ( 11.530 -2.981 4.243) 12.642 13.869 ( -12.763 -10.091 12.903) 20.766 14.214 ( -13.309 -1.559 6.769) 15.013 14.894 ( -8.247 -5.980 -3.236) 10.689 15.189 ( 10.929 7.328 2.656) 13.424 16.271 ( 10.441 -0.307 4.799) 11.495 17.203 ( -2.742 8.933 -16.280) 18.772 17.619 ( 4.581 -2.848 -0.602) 5.427 17.765 ( -1.602 1.719 -1.213) 2.644 17.959 ( 0.756 -2.920 2.670) 4.028 ======================= Grid point 275 (146/226) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -17.199 -8.990 7.236) 20.712 2.081 ( -12.066 -10.956 5.546) 17.215 2.527 ( 4.477 3.214 -0.479) 5.532 2.941 ( 7.235 9.580 -3.143) 12.410 3.404 ( 6.461 2.370 -1.051) 6.962 3.741 ( 3.890 -3.249 -3.285) 6.040 3.915 ( 1.494 -1.696 -3.028) 3.779 4.411 ( 3.573 0.111 2.931) 4.622 4.635 ( -21.857 -13.162 -3.462) 25.748 4.901 ( -1.751 6.187 1.135) 6.530 6.650 ( 8.286 4.910 1.200) 9.706 7.025 ( -7.430 -1.183 -1.533) 7.679 7.769 ( -2.547 -1.703 5.078) 5.931 8.094 ( -0.899 -2.097 5.399) 5.862 8.925 ( 5.886 5.061 -3.536) 8.530 9.066 ( 11.865 3.814 2.482) 12.708 9.226 ( -4.802 -2.795 2.140) 5.954 9.981 ( -3.258 -3.351 -11.237) 12.171 12.405 ( -2.334 -3.331 -4.932) 6.393 13.082 ( -8.137 5.159 7.156) 12.001 13.460 ( 8.718 -4.345 1.789) 9.903 13.676 ( -5.523 -4.072 6.467) 9.429 14.004 ( -15.044 0.126 8.736) 17.397 14.710 ( -5.249 -8.167 2.114) 9.936 15.432 ( 7.857 5.974 3.416) 10.444 16.485 ( 11.429 1.565 2.518) 11.807 17.120 ( -3.970 7.926 -18.878) 20.855 17.675 ( 4.571 -1.825 1.210) 5.069 17.733 ( -2.681 0.316 -1.133) 2.928 17.956 ( 0.560 -3.153 2.047) 3.801 ======================= Grid point 280 (147/226) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 12.048 18.328 16.497) 27.445 1.316 ( -7.471 20.132 17.640) 27.790 2.328 ( -2.326 11.075 30.345) 32.386 2.962 ( 3.577 -6.631 1.474) 7.677 3.256 ( -4.803 -8.035 -14.106) 16.930 3.591 ( -1.213 6.993 -14.780) 16.396 4.315 ( 4.222 -7.012 -2.655) 8.604 4.501 ( -8.130 -9.249 5.353) 13.427 4.771 ( 4.558 4.971 2.011) 7.037 5.412 ( 1.250 -15.616 -2.905) 15.933 6.695 ( -0.030 1.857 1.854) 2.625 6.750 ( 0.427 3.517 1.892) 4.017 8.050 ( -1.001 -2.375 3.481) 4.331 8.104 ( 0.537 2.738 4.068) 4.933 8.689 ( 3.195 4.957 -3.129) 6.676 8.809 ( -2.949 7.788 -0.491) 8.342 9.861 ( -0.143 -7.972 0.257) 7.978 10.137 ( -1.468 -12.173 1.380) 12.339 12.184 ( -4.614 0.106 0.979) 4.718 12.433 ( 4.017 14.628 6.057) 16.334 13.016 ( 14.970 7.448 -7.222) 18.214 13.256 ( -12.977 19.605 -3.813) 23.818 14.630 ( 4.176 -13.412 10.320) 17.431 14.865 ( -4.302 2.438 13.172) 14.070 15.706 ( -0.058 2.462 2.449) 3.473 16.600 ( 1.513 -9.470 -1.427) 9.696 17.180 ( 3.347 -10.033 -5.267) 11.816 17.396 ( -3.251 5.577 -4.912) 8.112 17.771 ( -0.174 3.019 -1.659) 3.449 17.931 ( -1.104 -0.059 3.259) 3.441 ======================= Grid point 281 (148/226) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -0.655 22.268 12.488) 25.539 1.693 ( 10.945 13.288 17.885) 24.824 2.615 ( 9.472 4.914 5.990) 12.237 2.966 ( -6.690 3.632 1.554) 7.770 3.089 ( 9.278 -6.882 2.191) 11.758 3.503 ( -2.914 0.004 -13.868) 14.170 4.196 ( -10.550 -5.266 1.714) 11.915 4.351 ( 0.432 -14.176 0.740) 14.202 4.816 ( -1.426 -1.003 -2.728) 3.237 5.287 ( -2.370 -2.945 2.508) 4.537 6.716 ( 0.015 2.142 1.541) 2.639 6.859 ( 5.054 3.946 1.888) 6.684 8.014 ( -2.838 -3.182 3.832) 5.733 8.161 ( -0.600 2.510 5.256) 5.855 8.675 ( -4.297 6.429 -1.136) 7.816 8.964 ( 8.878 3.983 -4.601) 10.764 9.710 ( -6.386 -11.152 0.217) 12.853 10.005 ( -0.066 -10.400 0.584) 10.416 12.154 ( 2.376 -2.441 0.899) 3.523 12.762 ( 7.701 19.729 7.158) 22.355 13.199 ( -9.203 23.186 -7.561) 26.066 13.349 ( 15.036 4.711 -4.045) 16.268 14.624 ( 4.617 -16.397 9.197) 19.358 14.847 ( -9.524 3.165 14.516) 17.647 15.770 ( 2.578 1.848 3.719) 4.888 16.397 ( -11.706 -8.824 -6.037) 15.854 17.159 ( 8.185 -10.070 -4.547) 13.751 17.374 ( -2.040 6.753 -5.099) 8.704 17.784 ( 0.390 1.389 -2.208) 2.637 17.928 ( -0.926 -1.468 4.240) 4.582 ======================= Grid point 282 (149/226) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 2.624 17.870 8.143) 19.812 1.997 ( 2.083 7.665 17.025) 18.786 2.672 ( -2.045 -1.228 0.416) 2.421 2.916 ( 6.744 -3.985 -12.197) 14.496 3.316 ( -2.036 -5.676 -6.257) 8.690 3.522 ( 19.702 12.209 7.265) 24.290 3.947 ( -12.414 -8.872 4.340) 15.864 4.206 ( -2.741 -10.367 -0.976) 10.768 4.735 ( -1.654 -3.523 -3.925) 5.528 5.291 ( -2.523 6.545 2.873) 7.580 6.748 ( -0.261 1.194 1.784) 2.162 6.992 ( 5.579 2.986 1.578) 6.521 7.947 ( -4.131 -3.323 4.450) 6.922 8.183 ( -2.640 0.932 5.184) 5.892 8.700 ( -0.377 6.908 -0.217) 6.921 9.027 ( 0.571 -2.308 -4.622) 5.197 9.488 ( -7.187 -9.835 1.003) 12.222 9.966 ( 5.721 -5.948 -3.664) 9.029 12.226 ( 9.037 -4.414 1.549) 10.176 12.986 ( -7.310 18.959 -3.075) 20.551 13.344 ( 1.234 23.546 4.632) 24.029 13.579 ( 12.963 -0.572 -0.896) 13.006 14.575 ( 2.273 -15.972 9.188) 18.566 14.832 ( -6.995 4.443 13.994) 16.264 15.853 ( 2.898 -0.424 5.453) 6.190 16.018 ( -17.030 -7.228 -11.739) 21.911 17.176 ( 6.623 -5.352 -6.364) 10.631 17.398 ( 1.425 4.445 -4.442) 6.444 17.784 ( 0.205 0.806 -2.363) 2.505 17.928 ( -0.126 -2.200 4.452) 4.967 ======================= Grid point 283 (150/226) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 2.781 11.539 5.459) 13.065 2.161 ( 0.739 6.254 9.491) 11.390 2.658 ( -1.520 1.779 3.966) 4.605 2.893 ( -1.058 -4.443 -3.337) 5.656 3.193 ( 4.455 -6.890 -10.055) 12.978 3.628 ( -9.562 -11.391 1.766) 14.977 3.926 ( 6.126 -3.723 -5.906) 9.288 4.189 ( 6.962 8.793 3.822) 11.849 4.668 ( 1.491 -5.692 -0.631) 5.918 5.360 ( -0.894 12.056 1.533) 12.186 6.710 ( -6.113 -2.096 1.660) 6.673 7.115 ( 5.288 1.689 1.266) 5.694 7.890 ( -2.604 -1.792 5.189) 6.076 8.162 ( -3.250 -0.666 4.846) 5.873 8.760 ( -0.373 4.861 0.380) 4.890 8.914 ( -4.721 -5.440 -3.604) 8.054 9.330 ( -3.292 -5.877 1.635) 6.932 10.010 ( 7.419 -2.357 -7.380) 10.727 12.371 ( 12.386 -6.071 2.444) 14.009 12.958 ( -9.946 16.002 -7.530) 20.290 13.490 ( -7.363 7.532 7.793) 13.102 13.855 ( 13.717 5.830 4.491) 15.566 14.550 ( 3.754 -10.688 11.760) 16.329 14.849 ( -6.372 3.190 13.869) 15.593 15.588 ( -16.711 -4.140 -16.877) 24.109 15.923 ( 3.236 -2.321 5.576) 6.852 17.200 ( 5.031 -0.089 -9.362) 10.629 17.438 ( 2.661 1.234 -3.006) 4.200 17.783 ( 0.231 1.176 -2.274) 2.570 17.933 ( 0.240 -2.254 3.898) 4.509 ======================= Grid point 284 (151/226) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 2.813 4.543 4.664) 7.092 2.262 ( -0.354 6.834 2.394) 7.250 2.626 ( -7.637 -1.912 4.921) 9.284 2.785 ( -2.888 -4.084 -0.210) 5.006 3.215 ( 6.258 -1.294 -4.909) 8.058 3.445 ( -0.616 -5.941 0.008) 5.973 3.855 ( 0.566 -6.688 -5.954) 8.972 4.340 ( 0.992 4.090 -6.395) 7.656 4.719 ( 8.016 -3.591 3.741) 9.547 5.501 ( 0.545 13.248 -0.721) 13.279 6.532 ( -11.448 -3.853 2.751) 12.388 7.199 ( 2.746 0.015 0.309) 2.763 7.891 ( -0.676 -0.563 5.453) 5.523 8.131 ( -2.373 -2.065 5.039) 5.940 8.745 ( -1.020 -5.370 -0.204) 5.470 8.813 ( -2.964 4.090 -1.016) 5.152 9.282 ( 0.843 -2.825 0.753) 3.043 10.053 ( 4.722 0.081 -9.033) 10.193 12.506 ( 7.964 -6.566 1.038) 10.374 12.925 ( -2.477 10.691 -5.869) 12.445 13.430 ( -10.307 4.058 7.786) 13.540 14.046 ( 2.955 -5.515 7.797) 9.997 14.633 ( -1.450 -3.105 16.025) 16.388 14.855 ( -0.838 2.525 9.537) 9.901 15.222 ( -11.341 -0.093 -17.642) 20.973 16.002 ( 5.202 -1.290 4.814) 7.204 17.220 ( 3.141 3.666 -12.760) 13.643 17.473 ( 3.079 -1.023 -0.787) 3.339 17.787 ( 0.205 1.898 -2.357) 3.033 17.938 ( 0.264 -2.331 3.189) 3.959 ======================= Grid point 285 (152/226) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -6.284 -6.061 2.584) 9.105 2.308 ( -4.393 4.955 3.008) 7.273 2.517 ( -4.120 -1.896 4.420) 6.332 2.759 ( 2.378 3.295 -1.025) 4.190 3.269 ( 1.731 1.039 0.076) 2.020 3.480 ( 9.204 -2.814 -5.703) 11.188 3.795 ( 2.690 -3.186 -4.281) 5.976 4.325 ( 1.209 -0.685 -3.452) 3.721 4.829 ( 5.462 -1.311 0.748) 5.667 5.462 ( -16.689 2.456 -2.362) 17.033 6.428 ( -0.016 3.397 3.859) 5.141 7.199 ( -1.554 -1.690 -0.941) 2.481 7.887 ( -3.113 -1.728 5.552) 6.596 8.110 ( -0.792 -3.322 5.335) 6.334 8.734 ( 5.453 -1.645 -1.573) 5.909 8.834 ( 0.185 4.213 1.871) 4.614 9.279 ( 1.080 -2.656 -0.617) 2.933 10.049 ( 0.192 2.068 -9.613) 9.835 12.489 ( -1.444 -4.455 -3.583) 5.897 13.045 ( 9.520 3.886 -0.393) 10.290 13.360 ( -8.776 5.585 7.729) 12.959 13.972 ( -6.344 -13.101 10.116) 17.726 14.512 ( -14.601 -1.545 8.786) 17.110 14.937 ( -5.076 -4.895 -5.315) 8.830 15.112 ( 7.677 7.756 4.973) 11.993 16.139 ( 8.286 1.334 3.227) 8.992 17.207 ( 0.273 5.712 -16.213) 17.192 17.519 ( 3.959 -1.809 1.680) 4.666 17.790 ( -0.582 2.104 -2.691) 3.465 17.935 ( 0.279 -2.643 2.503) 3.651 ======================= Grid point 286 (153/226) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -13.490 -8.157 5.924) 16.840 2.242 ( -9.466 -0.279 5.424) 10.913 2.496 ( 0.866 -0.140 2.200) 2.369 2.895 ( 6.009 9.412 -4.384) 11.997 3.309 ( 4.651 -2.418 1.598) 5.480 3.546 ( 8.607 -5.688 -11.102) 15.156 3.854 ( 5.151 4.281 -1.142) 6.794 4.344 ( 2.968 -3.123 0.316) 4.320 4.828 ( -6.615 -4.236 -4.762) 9.185 5.100 ( -19.426 2.297 5.752) 20.389 6.579 ( 7.301 5.714 1.668) 9.420 7.113 ( -5.164 -2.383 -1.469) 5.874 7.837 ( -3.942 -2.057 5.919) 7.403 8.103 ( 0.096 -4.021 5.326) 6.674 8.846 ( 7.692 2.098 -4.005) 8.922 8.936 ( 6.642 3.090 3.709) 8.211 9.245 ( -0.873 -3.904 -1.202) 4.177 9.983 ( -4.255 3.633 -9.293) 10.847 12.382 ( -2.897 -3.702 -4.733) 6.670 13.255 ( 12.076 -0.699 1.867) 12.240 13.347 ( -7.593 8.530 8.547) 14.265 13.761 ( -8.645 -11.699 7.997) 16.600 14.304 ( -14.525 -2.041 7.142) 16.314 14.742 ( -6.737 -6.822 -1.187) 9.661 15.374 ( 9.131 5.411 6.970) 12.698 16.328 ( 10.299 2.547 1.228) 10.680 17.142 ( -2.453 6.926 -18.727) 20.117 17.590 ( 4.540 -1.616 3.367) 5.879 17.767 ( -2.146 1.077 -2.908) 3.771 17.927 ( 0.328 -2.719 1.445) 3.097 ======================= Grid point 291 (154/226) ======================= q-point: ( 0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -0.038 17.833 13.678) 22.474 1.722 ( -7.235 11.121 18.399) 22.683 2.692 ( -4.525 2.137 0.321) 5.015 2.853 ( -4.321 5.550 7.144) 10.025 3.247 ( -5.013 -0.350 -0.080) 5.026 3.590 ( -1.047 6.374 -14.811) 16.158 4.113 ( 8.353 -9.085 1.494) 12.432 4.590 ( -8.278 -8.909 3.106) 12.552 4.682 ( 9.834 0.934 -0.867) 9.916 5.161 ( 7.741 -12.878 -0.579) 15.037 6.740 ( -0.342 4.144 3.162) 5.224 6.831 ( -4.647 2.198 1.095) 5.256 8.052 ( 1.083 -3.181 5.522) 6.464 8.141 ( 1.730 3.251 3.910) 5.372 8.623 ( 3.834 4.079 -2.729) 6.228 8.997 ( -7.377 4.903 -3.479) 9.516 9.722 ( 5.698 -9.924 -0.348) 11.448 10.071 ( -2.376 -7.104 0.742) 7.527 12.358 ( -10.174 6.864 1.518) 12.366 12.584 ( -3.470 8.051 7.129) 11.300 12.835 ( 9.565 8.260 -7.466) 14.678 13.629 ( -9.690 18.944 -3.864) 21.626 14.492 ( 2.436 -16.646 12.240) 20.804 14.981 ( 2.286 3.906 10.161) 11.124 15.783 ( -3.056 2.753 5.204) 6.633 16.347 ( 12.735 -11.640 -3.460) 17.596 17.055 ( -3.056 -10.125 -5.757) 12.042 17.469 ( -2.329 6.303 -4.744) 8.226 17.776 ( 0.078 0.421 -2.566) 2.601 17.978 ( -0.781 1.612 2.579) 3.140 ======================= Grid point 292 (155/226) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 10.402 19.389 13.211) 25.665 1.854 ( -2.610 14.250 14.386) 20.417 2.629 ( -3.196 -0.055 -1.676) 3.609 2.879 ( 2.701 -4.502 -7.545) 9.192 3.203 ( -5.706 11.011 13.774) 18.534 3.489 ( -4.511 0.106 -13.499) 14.233 4.150 ( 5.789 -9.951 0.924) 11.549 4.360 ( -11.462 -9.381 5.144) 15.679 4.744 ( 2.704 -6.146 -5.084) 8.422 5.209 ( 8.223 -4.027 1.350) 9.255 6.768 ( -2.240 2.608 1.576) 3.782 6.853 ( 1.927 4.487 2.639) 5.551 8.046 ( -1.289 -3.004 4.648) 5.682 8.225 ( 0.415 3.628 4.624) 5.892 8.737 ( 4.881 4.092 -3.039) 7.057 8.926 ( -3.711 6.660 -3.816) 8.527 9.653 ( -0.638 -12.349 0.036) 12.366 9.928 ( -3.145 -11.256 1.334) 11.763 12.212 ( -8.991 1.342 1.400) 9.198 12.839 ( 11.507 15.304 6.162) 20.115 13.117 ( 12.451 14.865 -6.309) 20.391 13.611 ( -12.405 22.701 -6.346) 26.637 14.443 ( 3.453 -18.316 10.858) 21.571 15.058 ( -3.265 0.855 11.730) 12.206 15.803 ( -1.409 3.222 4.497) 5.709 16.351 ( 2.260 -12.045 -4.612) 13.095 16.919 ( 3.548 -11.026 -3.519) 12.106 17.451 ( -2.910 5.788 -4.627) 7.961 17.768 ( 0.606 0.011 -2.687) 2.755 17.972 ( -2.183 -0.062 2.690) 3.465 ======================= Grid point 293 (156/226) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -0.551 10.700 11.059) 15.398 2.167 ( 5.144 15.708 12.384) 20.653 2.596 ( 3.988 -1.541 -4.570) 6.259 2.775 ( -1.477 -4.223 -6.963) 8.276 3.298 ( -6.152 -4.966 -10.542) 13.177 3.452 ( 8.902 13.768 8.993) 18.700 4.049 ( -7.058 -16.111 2.138) 17.719 4.177 ( -4.485 -1.618 6.313) 7.911 4.655 ( 0.688 -7.639 -7.177) 10.504 5.334 ( 5.059 3.304 1.744) 6.289 6.778 ( -0.119 1.249 1.803) 2.196 6.950 ( 3.122 3.085 1.851) 4.763 8.014 ( -3.053 -1.555 3.935) 5.218 8.265 ( -2.125 1.732 4.175) 4.994 8.792 ( -1.186 5.450 0.751) 5.628 8.945 ( 2.121 1.074 -6.573) 6.989 9.492 ( -4.690 -10.976 0.943) 11.973 9.820 ( 2.102 -8.442 -0.032) 8.700 12.144 ( -0.920 0.260 1.151) 1.496 13.229 ( 9.678 15.296 5.125) 18.812 13.364 ( 5.429 10.332 -6.557) 13.388 13.623 ( -6.165 23.888 -3.162) 24.873 14.393 ( 4.323 -18.235 9.873) 21.182 15.058 ( -5.485 0.998 11.730) 12.988 15.839 ( 0.015 0.812 1.623) 1.815 16.131 ( -10.385 -9.063 -6.385) 15.191 16.918 ( 9.575 -10.378 -2.377) 14.319 17.437 ( -1.900 5.751 -4.471) 7.528 17.763 ( 0.844 -0.191 -2.481) 2.627 17.952 ( -1.508 -0.938 3.316) 3.762 ======================= Grid point 294 (157/226) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 0.516 6.126 7.926) 10.030 2.349 ( -4.527 12.538 6.352) 14.766 2.708 ( 1.222 1.434 5.749) 6.050 2.727 ( 11.236 -1.711 -8.404) 14.135 3.082 ( -5.601 -7.240 -7.713) 11.970 3.660 ( -2.308 -7.906 2.984) 8.760 3.810 ( -1.578 -4.295 -2.734) 5.330 4.213 ( 2.111 6.381 6.691) 9.484 4.558 ( 1.690 -8.040 -5.176) 9.710 5.459 ( 2.681 9.054 0.365) 9.450 6.782 ( -2.166 -1.181 2.126) 3.257 7.034 ( 4.575 -0.270 0.910) 4.673 7.975 ( -3.781 1.208 4.022) 5.651 8.242 ( -3.816 -0.427 3.302) 5.064 8.823 ( -1.894 -0.456 1.119) 2.247 8.894 ( -1.384 -0.018 -4.900) 5.091 9.330 ( -4.025 -8.063 1.295) 9.105 9.844 ( 6.737 -1.804 -2.090) 7.281 12.193 ( 5.785 -1.152 1.870) 6.188 13.281 ( -14.241 15.402 -6.314) 21.906 13.554 ( 9.585 -0.110 -0.251) 9.589 13.840 ( 2.997 19.252 4.216) 19.935 14.387 ( 6.989 -13.713 11.700) 19.333 15.051 ( -4.649 0.691 10.394) 11.407 15.686 ( -11.537 -6.261 -16.544) 21.118 15.955 ( -3.771 1.092 8.062) 8.967 16.977 ( 10.189 -7.861 -4.476) 13.625 17.443 ( -0.673 4.802 -3.551) 6.010 17.764 ( 1.029 0.254 -2.273) 2.508 17.946 ( -0.736 -0.989 3.427) 3.642 ======================= Grid point 295 (158/226) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 0.192 1.333 5.924) 6.075 2.424 ( -3.064 13.778 1.475) 14.192 2.722 ( 0.323 -0.358 0.205) 0.524 2.802 ( -7.151 -4.670 2.096) 8.794 3.006 ( 11.833 -1.461 -4.720) 12.823 3.443 ( -7.222 -9.450 2.101) 12.078 3.770 ( 0.430 -4.913 -2.883) 5.713 4.320 ( 0.110 3.230 -6.947) 7.662 4.558 ( 8.225 -4.809 3.845) 10.275 5.612 ( 2.343 14.346 -1.563) 14.620 6.681 ( -8.318 -4.340 2.547) 9.721 7.106 ( 5.569 -3.621 0.137) 6.644 7.970 ( -3.005 3.935 4.361) 6.598 8.187 ( -3.514 -1.938 3.374) 5.243 8.698 ( -2.524 -8.939 -2.647) 9.658 8.902 ( -2.340 4.994 0.879) 5.585 9.234 ( -0.174 -5.207 -0.135) 5.212 9.946 ( 5.805 3.092 -3.090) 7.267 12.315 ( 8.782 -3.057 2.656) 9.671 13.120 ( -12.353 8.625 -7.855) 16.991 13.621 ( -2.592 1.785 4.217) 5.261 14.017 ( 1.493 2.413 4.520) 5.336 14.524 ( 10.676 -6.111 11.292) 16.698 15.025 ( -5.179 -3.365 9.837) 11.616 15.333 ( -12.688 1.761 -17.310) 21.534 15.993 ( -0.112 2.546 7.341) 7.771 17.041 ( 9.038 -4.499 -8.161) 12.982 17.462 ( 0.022 3.352 -1.424) 3.642 17.775 ( 1.171 1.160 -2.439) 2.943 17.946 ( -0.700 -0.872 3.109) 3.304 ======================= Grid point 296 (159/226) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -2.646 -3.211 3.651) 5.536 2.495 ( -6.871 9.933 0.705) 12.099 2.625 ( -7.006 -2.969 4.248) 8.715 2.737 ( 2.660 2.331 -0.932) 3.657 3.180 ( 10.633 0.197 -4.022) 11.370 3.310 ( -1.384 -7.745 0.121) 7.869 3.731 ( 1.455 -1.169 -1.536) 2.417 4.270 ( 0.374 -1.459 -5.142) 5.358 4.691 ( 8.239 -2.950 1.212) 8.835 5.723 ( -6.676 12.960 -3.165) 14.918 6.514 ( -6.285 -3.655 4.227) 8.410 7.137 ( 3.652 -5.549 -1.138) 6.739 7.982 ( -3.755 3.092 4.607) 6.700 8.132 ( -2.842 -3.251 3.811) 5.759 8.609 ( 3.499 -6.096 -2.572) 7.485 8.910 ( -2.363 3.524 3.123) 5.268 9.209 ( 2.051 -3.085 -2.638) 4.548 10.035 ( 1.721 5.962 -4.049) 7.410 12.410 ( 4.186 -4.429 0.760) 6.141 13.003 ( -2.129 3.150 -4.283) 5.727 13.596 ( -6.924 5.269 5.346) 10.212 14.003 ( -4.039 -8.722 8.800) 13.031 14.621 ( 1.131 -5.208 -2.027) 5.701 14.931 ( -4.594 -7.807 3.697) 9.784 15.188 ( -2.860 8.869 0.464) 9.330 16.089 ( 3.155 4.266 4.876) 7.206 17.082 ( 6.413 -0.911 -12.561) 14.133 17.495 ( 0.931 2.074 1.798) 2.899 17.791 ( 0.722 1.986 -3.228) 3.858 17.939 ( -1.085 -1.197 2.663) 3.115 ======================= Grid point 297 (160/226) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -8.386 -6.316 4.344) 11.362 2.425 ( -6.823 3.582 2.500) 8.101 2.554 ( -5.138 0.914 4.582) 6.945 2.877 ( 5.060 10.451 -2.626) 11.905 3.186 ( 2.609 -15.101 -3.334) 15.684 3.314 ( 6.852 1.640 -4.225) 8.215 3.794 ( 5.563 3.934 -2.901) 7.405 4.279 ( 2.796 -0.266 0.731) 2.902 4.767 ( 4.554 -3.025 -3.057) 6.264 5.540 ( -22.922 5.471 2.479) 23.696 6.530 ( 5.295 1.908 2.684) 6.235 7.106 ( 0.286 -5.315 -1.994) 5.684 7.943 ( -6.252 0.013 5.287) 8.188 8.087 ( -0.288 -4.680 3.692) 5.967 8.670 ( 9.521 -1.774 -3.105) 10.171 8.948 ( 0.564 3.085 4.615) 5.580 9.188 ( 0.848 -2.724 -4.305) 5.164 10.059 ( -3.091 7.452 -5.354) 9.683 12.372 ( -2.288 -2.875 -2.816) 4.629 13.071 ( 8.823 -1.739 1.966) 9.205 13.590 ( -4.925 8.245 6.337) 11.506 13.842 ( -8.808 -11.390 7.572) 16.268 14.493 ( -9.178 -4.172 0.078) 10.082 14.765 ( -4.949 -7.376 -3.189) 9.437 15.344 ( 6.093 4.665 10.166) 12.737 16.225 ( 6.092 3.378 1.016) 7.039 17.083 ( 2.783 3.383 -15.340) 15.953 17.556 ( 2.170 1.215 4.475) 5.119 17.787 ( -1.000 1.943 -4.286) 4.811 17.921 ( -1.052 -1.753 1.959) 2.832 ======================= Grid point 302 (161/226) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -6.791 14.698 9.949) 19.004 1.996 ( -4.249 6.101 16.099) 17.733 2.590 ( 2.598 -5.447 -0.959) 6.110 2.994 ( -2.689 -1.693 -11.368) 11.804 3.506 ( -2.342 9.204 -10.026) 13.810 3.622 ( -12.793 9.895 7.918) 18.007 3.911 ( 7.654 -7.743 3.087) 11.317 4.434 ( 13.513 -3.573 -4.006) 14.540 4.681 ( -4.707 -1.430 3.843) 6.242 4.973 ( 0.386 -10.912 1.390) 11.006 6.800 ( 1.517 4.220 3.135) 5.471 6.938 ( -5.934 0.146 0.480) 5.955 8.023 ( 3.323 -1.789 6.350) 7.386 8.153 ( 2.751 1.707 4.425) 5.483 8.619 ( -0.919 2.694 -2.982) 4.123 9.044 ( 1.060 -1.734 -2.620) 3.315 9.516 ( 7.287 -8.236 -0.399) 11.004 10.100 ( -5.428 0.202 -3.631) 6.533 12.542 ( -0.459 5.696 -3.613) 6.761 12.773 ( -11.323 0.606 1.240) 11.406 12.846 ( -1.882 13.465 5.012) 14.491 13.856 ( -2.410 10.604 1.025) 10.923 14.411 ( -0.628 -14.228 15.808) 21.277 15.002 ( 5.274 5.298 4.136) 8.544 15.843 ( 6.538 -5.914 2.671) 9.212 16.034 ( 5.941 -0.711 -1.674) 6.213 16.994 ( -5.671 -9.653 -7.673) 13.573 17.535 ( -1.928 6.211 -4.927) 8.159 17.755 ( -0.010 -1.027 -2.171) 2.402 18.007 ( 0.699 1.605 1.840) 2.540 ======================= Grid point 303 (162/226) ======================= q-point: ( 0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 4.522 19.791 10.170) 22.706 2.081 ( -3.235 5.545 13.422) 14.878 2.585 ( 3.091 -4.151 -0.568) 5.206 2.845 ( -4.873 -1.177 -9.660) 10.884 3.445 ( -3.629 3.428 -15.256) 16.052 3.553 ( -10.304 6.889 8.672) 15.128 3.959 ( 6.152 -10.052 2.741) 12.100 4.482 ( -1.441 -6.264 1.986) 6.727 4.607 ( -2.764 -3.294 -0.605) 4.342 5.007 ( 10.863 -3.462 2.176) 11.607 6.847 ( -4.387 0.355 0.668) 4.452 6.901 ( 1.134 5.323 3.444) 6.441 8.053 ( 0.262 -3.273 5.040) 6.015 8.260 ( 2.639 3.588 3.575) 5.712 8.667 ( 4.495 3.584 -2.099) 6.120 9.009 ( -2.063 1.065 -4.034) 4.655 9.512 ( 3.704 -10.609 -0.244) 11.240 9.935 ( -8.056 -6.307 -1.072) 10.287 12.469 ( -17.145 1.858 3.588) 17.615 12.710 ( 12.837 6.445 -6.216) 15.652 13.165 ( 6.935 23.472 4.699) 24.922 13.903 ( -4.109 11.091 -2.514) 12.092 14.345 ( -2.349 -11.897 13.090) 17.844 15.117 ( 2.048 1.377 3.586) 4.353 15.911 ( 0.822 0.328 7.418) 7.471 16.089 ( 6.896 -8.030 -4.766) 11.608 16.790 ( -2.067 -10.685 -3.895) 11.559 17.521 ( -2.589 5.122 -4.753) 7.452 17.737 ( 0.545 -1.013 -2.120) 2.412 18.014 ( -1.422 -0.040 0.974) 1.724 ======================= Grid point 304 (163/226) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -1.639 5.515 10.100) 11.623 2.202 ( 9.261 12.324 3.355) 15.776 2.598 ( -1.411 0.490 3.591) 3.889 2.727 ( -1.272 -0.791 -5.741) 5.933 3.277 ( -4.905 -3.378 -13.530) 14.782 3.556 ( -2.176 5.896 5.524) 8.368 3.939 ( 2.031 -12.334 1.829) 12.633 4.385 ( -8.855 1.498 7.559) 11.738 4.511 ( -0.748 -6.021 -5.310) 8.063 5.214 ( 12.191 1.127 1.722) 12.363 6.790 ( -1.509 -2.309 0.401) 2.787 6.986 ( -0.074 5.422 3.045) 6.219 8.051 ( -0.490 -1.582 3.513) 3.884 8.325 ( -0.323 2.013 1.906) 2.791 8.776 ( 4.924 1.656 -0.115) 5.196 8.957 ( -2.588 2.446 -5.575) 6.615 9.449 ( -0.244 -8.280 0.510) 8.299 9.751 ( -4.078 -8.211 1.374) 9.271 12.269 ( -10.751 2.263 2.314) 11.228 13.007 ( 18.003 7.187 -7.223) 20.686 13.511 ( 3.449 18.999 5.631) 20.114 13.913 ( -4.641 14.246 -5.244) 15.874 14.278 ( -2.237 -9.705 12.400) 15.904 15.150 ( -0.470 -1.504 4.192) 4.479 15.916 ( -7.381 1.740 -1.550) 7.740 16.059 ( 5.586 -9.848 -1.437) 11.413 16.696 ( 3.680 -9.961 0.657) 10.640 17.498 ( -2.331 4.733 -4.271) 6.788 17.729 ( 0.945 -0.804 -1.796) 2.183 17.988 ( -1.709 -0.797 1.588) 2.465 ======================= Grid point 305 (164/226) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -0.163 2.835 5.973) 6.614 2.459 ( 11.636 5.346 -6.024) 14.151 2.578 ( -5.194 4.827 2.908) 7.664 2.737 ( 1.380 0.771 5.645) 5.862 3.084 ( -5.870 -4.199 -7.527) 10.428 3.613 ( 2.159 -3.850 3.074) 5.379 3.813 ( -4.600 -8.746 0.528) 9.896 4.347 ( -4.160 5.998 2.145) 7.608 4.424 ( -0.276 -4.246 -1.533) 4.522 5.431 ( 9.438 5.675 0.276) 11.016 6.755 ( 1.355 -6.230 0.829) 6.430 7.029 ( -1.373 3.158 1.261) 3.667 8.057 ( -1.048 1.706 2.978) 3.588 8.312 ( -3.115 -0.068 0.656) 3.184 8.792 ( -1.574 -5.064 -3.211) 6.199 8.930 ( 0.091 3.435 -1.992) 3.972 9.345 ( -4.977 -5.381 1.137) 7.417 9.720 ( 5.605 -2.945 2.964) 6.991 12.191 ( -3.208 2.533 1.876) 4.497 13.309 ( 16.272 2.207 -5.392) 17.284 13.577 ( -9.352 7.598 -4.955) 13.028 14.045 ( -1.207 20.802 -0.485) 20.843 14.263 ( 2.834 -9.497 16.689) 19.410 15.133 ( -1.753 -3.271 3.949) 5.419 15.683 ( -8.491 -5.046 -18.155) 20.668 16.094 ( -1.773 1.515 11.058) 11.301 16.709 ( 8.484 -9.682 -0.486) 12.882 17.487 ( -1.478 4.377 -3.081) 5.553 17.732 ( 1.264 -0.240 -1.532) 2.000 17.972 ( -0.892 -0.576 2.400) 2.624 ======================= Grid point 306 (165/226) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -0.316 1.874 4.709) 5.078 2.586 ( -1.597 6.066 2.571) 6.779 2.615 ( 7.606 2.441 -8.998) 12.032 2.814 ( 4.758 -4.258 0.117) 6.386 2.933 ( -6.253 1.274 3.616) 7.335 3.518 ( -8.130 -8.390 5.417) 12.878 3.709 ( -0.168 -3.769 -1.208) 3.962 4.303 ( -0.910 -1.767 -7.812) 8.061 4.462 ( 2.475 2.621 5.204) 6.331 5.649 ( 7.606 11.296 -1.474) 13.697 6.700 ( -0.055 -10.241 1.057) 10.296 7.025 ( -0.504 -0.314 -0.286) 0.659 8.090 ( -1.807 5.797 3.335) 6.927 8.243 ( -3.719 -1.987 0.763) 4.285 8.640 ( -4.208 -8.956 -4.155) 10.732 8.966 ( 0.619 3.432 -1.539) 3.812 9.224 ( -4.428 -4.122 2.013) 6.376 9.866 ( 7.910 3.049 3.132) 9.038 12.224 ( 2.792 1.514 2.361) 3.958 13.323 ( -10.360 -1.195 -8.334) 13.349 13.584 ( 7.973 4.303 -2.444) 9.384 14.112 ( -4.704 3.846 4.817) 7.753 14.408 ( 6.228 -2.076 12.221) 13.873 15.075 ( -2.678 -5.532 2.389) 6.594 15.400 ( -7.242 0.845 -19.393) 20.718 16.144 ( -4.776 4.919 12.860) 14.573 16.772 ( 10.831 -7.727 -4.516) 14.051 17.496 ( -0.659 3.807 -1.031) 3.999 17.747 ( 1.519 0.629 -1.705) 2.368 17.973 ( -0.666 -0.017 2.651) 2.733 ======================= Grid point 307 (166/226) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -3.480 -0.711 4.190) 5.493 2.621 ( -0.295 -4.779 -6.237) 7.863 2.661 ( 0.674 4.528 2.083) 5.029 2.777 ( -1.042 5.530 -1.665) 5.868 3.003 ( 5.519 -0.984 2.423) 6.108 3.344 ( -7.902 -4.081 4.086) 9.787 3.690 ( 1.386 -1.325 -0.645) 2.023 4.235 ( -0.588 -0.230 -4.103) 4.151 4.559 ( 5.249 -0.930 1.716) 5.600 5.865 ( 3.898 14.790 -3.085) 15.603 6.557 ( -4.251 -12.986 2.029) 13.814 7.017 ( 2.187 -3.321 -1.181) 4.148 8.103 ( -4.393 2.470 1.547) 5.272 8.203 ( -3.172 2.186 4.110) 5.633 8.477 ( 0.186 -9.706 -4.138) 10.553 8.984 ( -0.859 2.328 -0.873) 2.630 9.160 ( -1.052 -1.648 1.028) 2.209 10.036 ( 4.743 6.094 1.683) 7.903 12.315 ( 4.676 -0.334 2.463) 5.295 13.082 ( -9.078 -0.908 -8.125) 12.217 13.702 ( 1.927 1.812 2.811) 3.860 14.052 ( -4.839 -9.099 8.544) 13.387 14.505 ( 4.001 2.132 -5.188) 6.889 14.951 ( -5.456 -10.567 2.971) 12.258 15.287 ( -1.053 6.904 -6.898) 9.816 16.186 ( -3.936 4.727 9.653) 11.447 16.859 ( 10.147 -3.016 -7.672) 13.073 17.526 ( 0.056 3.226 1.675) 3.636 17.770 ( 1.436 1.499 -2.592) 3.321 17.973 ( -1.435 0.069 2.315) 2.724 ======================= Grid point 308 (167/226) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -6.280 -3.745 3.261) 8.006 2.527 ( -2.013 -1.923 -2.108) 3.492 2.677 ( -2.384 1.521 2.412) 3.717 2.906 ( 3.472 12.077 0.216) 12.568 2.992 ( -1.105 -10.272 -2.532) 10.637 3.267 ( -0.407 -0.824 1.350) 1.633 3.723 ( 3.622 2.708 -3.557) 5.754 4.260 ( 2.530 3.992 1.411) 4.932 4.633 ( 5.466 -2.801 -1.162) 6.251 5.934 ( -12.926 11.925 -1.102) 17.622 6.426 ( 5.031 -11.824 2.706) 13.132 7.016 ( 2.431 -3.157 -1.533) 4.269 8.058 ( -1.882 -1.520 1.850) 3.045 8.127 ( -9.078 -1.257 2.896) 9.611 8.478 ( 8.601 -2.921 -2.119) 9.327 8.986 ( -0.074 0.477 0.825) 0.956 9.152 ( -0.352 0.974 -0.957) 1.411 10.141 ( -0.245 7.433 -1.379) 7.564 12.362 ( 0.296 -0.793 -0.086) 0.851 12.971 ( 1.526 -1.203 -1.864) 2.693 13.722 ( -2.690 -1.187 6.430) 7.070 13.899 ( -4.944 -10.412 2.955) 11.899 14.555 ( 0.380 7.624 -7.632) 10.794 14.738 ( -6.780 -13.563 1.211) 15.211 15.361 ( 3.380 2.596 5.637) 7.067 16.213 ( -0.955 1.048 2.326) 2.724 16.957 ( 7.137 3.900 -8.114) 11.489 17.580 ( 0.850 2.683 4.157) 5.020 17.784 ( 0.413 1.969 -4.242) 4.695 17.951 ( -2.351 -0.689 1.743) 3.007 ======================= Grid point 313 (168/226) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -5.995 11.194 7.270) 14.632 2.197 ( -3.744 6.120 9.340) 11.777 2.549 ( -1.236 -3.269 3.555) 4.985 2.896 ( 2.490 -4.462 -6.929) 8.610 3.413 ( 4.725 0.251 -10.301) 11.336 3.725 ( 9.494 -4.417 0.683) 10.493 3.994 ( -11.959 -1.793 2.083) 12.270 4.193 ( 7.125 3.749 -8.014) 11.360 4.733 ( -1.270 -3.148 -0.268) 3.405 5.045 ( -11.704 3.284 9.089) 15.179 6.756 ( 9.051 -0.551 1.699) 9.226 7.032 ( -6.023 -1.756 0.153) 6.275 8.012 ( 2.547 2.655 6.417) 7.397 8.142 ( 2.862 0.049 5.015) 5.774 8.638 ( -2.009 -1.512 -2.914) 3.848 8.939 ( 5.508 -3.715 -1.001) 6.718 9.354 ( 3.919 -4.768 0.291) 6.178 10.172 ( -4.065 4.064 -8.159) 9.980 12.511 ( -0.993 -2.064 -8.182) 8.497 12.968 ( 0.586 16.860 3.678) 17.266 13.062 ( -8.615 -3.515 9.089) 13.007 14.010 ( -7.070 7.242 3.701) 10.776 14.402 ( 1.283 -13.712 21.836) 25.816 14.969 ( 6.157 5.910 -0.513) 8.550 15.505 ( 13.796 -8.512 -11.003) 19.592 16.109 ( -0.112 6.973 9.383) 11.691 16.962 ( -7.823 -8.974 -10.565) 15.918 17.587 ( -1.129 5.578 -5.043) 7.604 17.736 ( -0.578 -1.492 -1.499) 2.192 18.012 ( 1.312 1.203 1.527) 2.345 ======================= Grid point 314 (169/226) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -0.150 16.544 8.763) 18.722 2.243 ( -3.223 3.777 8.151) 9.544 2.528 ( 0.115 -1.070 1.836) 2.128 2.824 ( -0.894 -3.854 -5.609) 6.864 3.372 ( 0.474 -3.200 -13.360) 13.746 3.786 ( -3.325 0.462 -3.424) 4.796 3.812 ( -1.170 -9.450 5.334) 10.915 4.285 ( 7.863 -4.702 -6.471) 11.216 4.704 ( 2.681 -0.369 -1.266) 2.988 4.997 ( -9.154 7.563 12.751) 17.424 6.887 ( 1.660 -2.434 0.198) 2.953 6.944 ( -0.600 2.947 2.694) 4.038 8.055 ( -0.620 -1.274 4.084) 4.322 8.253 ( 4.074 2.833 3.160) 5.883 8.622 ( 2.871 -0.344 -0.797) 2.999 8.968 ( 2.643 -2.178 -2.408) 4.187 9.354 ( 3.575 -7.802 -0.266) 8.586 10.036 ( -9.075 -0.527 -5.369) 10.557 12.533 ( 8.159 3.458 -8.457) 12.249 12.794 ( -15.956 -1.979 6.321) 17.277 13.321 ( 5.795 22.875 5.797) 24.299 13.974 ( -3.327 -0.686 3.136) 4.623 14.415 ( -1.677 -6.827 16.714) 18.132 15.094 ( 3.575 5.931 -4.779) 8.414 15.620 ( 16.305 -10.094 -5.899) 20.063 16.190 ( -6.112 6.373 8.518) 12.269 16.709 ( -3.757 -10.737 -5.772) 12.756 17.575 ( -2.086 4.519 -5.348) 7.306 17.711 ( 0.029 -1.260 -0.969) 1.590 18.029 ( -0.309 -0.319 0.112) 0.458 ======================= Grid point 315 (170/226) ======================= q-point: ( 0.45 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -1.466 6.505 2.308) 7.056 2.267 ( -0.725 5.996 5.008) 7.846 2.597 ( 5.035 3.264 4.867) 7.726 2.747 ( -2.586 -1.512 -1.015) 3.163 3.230 ( -2.920 -3.651 -12.367) 13.221 3.635 ( -4.302 -7.484 1.784) 8.815 3.814 ( 2.724 -5.323 -0.037) 5.980 4.287 ( 4.417 -5.645 -6.415) 9.619 4.743 ( -6.031 6.576 4.326) 9.916 5.068 ( 4.281 4.854 7.563) 9.955 6.795 ( -3.440 -5.367 -0.822) 6.427 7.052 ( 1.700 4.877 3.597) 6.294 8.053 ( 0.042 -1.030 1.747) 2.028 8.332 ( 1.906 1.102 -0.170) 2.208 8.707 ( 5.824 0.072 2.012) 6.163 8.952 ( -0.494 -0.435 -4.829) 4.874 9.339 ( 4.046 -7.271 0.359) 8.329 9.829 ( -10.312 -2.942 -0.866) 10.759 12.513 ( -11.973 -2.386 4.043) 12.861 12.773 ( 11.309 10.247 -8.468) 17.453 13.635 ( 4.011 13.352 3.482) 14.370 13.957 ( 1.407 1.398 4.125) 4.577 14.419 ( -4.555 -0.790 12.676) 13.492 15.141 ( 0.559 4.340 -6.549) 7.876 15.736 ( 12.932 -12.619 -7.124) 19.423 16.113 ( -9.738 4.111 1.713) 10.708 16.601 ( 0.718 -8.132 5.483) 9.834 17.549 ( -2.032 3.984 -4.874) 6.615 17.701 ( 0.475 -0.849 -0.381) 1.045 18.008 ( -1.101 -1.085 0.204) 1.559 ======================= Grid point 316 (171/226) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -0.038 1.851 0.573) 1.938 2.349 ( 3.096 4.323 -3.372) 6.296 2.697 ( -3.236 -0.476 3.219) 4.589 2.743 ( 3.157 1.249 5.121) 6.144 3.096 ( -3.257 -0.417 -5.766) 6.635 3.550 ( 1.224 -7.347 2.026) 7.719 3.784 ( -0.244 -5.970 1.179) 6.090 4.269 ( 2.465 -1.935 -6.250) 6.992 4.681 ( -12.291 8.032 6.159) 15.922 5.289 ( 11.909 4.247 2.619) 12.911 6.680 ( -1.594 -8.428 -1.130) 8.652 7.109 ( -1.959 3.544 2.114) 4.568 8.070 ( 1.678 0.655 0.708) 1.935 8.339 ( -0.615 -0.347 -1.871) 1.999 8.771 ( -0.365 -2.292 -0.240) 2.333 8.902 ( 0.780 -1.039 -4.153) 4.352 9.359 ( 1.992 -1.914 -0.227) 2.772 9.684 ( -3.174 -2.555 5.483) 6.831 12.346 ( -9.567 1.890 3.181) 10.258 13.035 ( 15.228 5.615 -7.146) 17.734 13.659 ( -2.972 -3.045 -4.460) 6.164 14.163 ( 6.787 13.356 5.573) 15.984 14.388 ( -7.839 -0.736 12.470) 14.747 15.126 ( -1.003 0.563 -4.413) 4.560 15.620 ( -3.013 -8.385 -19.379) 21.329 16.131 ( 4.705 2.101 7.180) 8.838 16.583 ( -0.677 -6.486 8.346) 10.592 17.532 ( -1.367 3.762 -3.303) 5.189 17.705 ( 0.855 -0.306 -0.110) 0.915 17.988 ( -0.480 -0.783 1.178) 1.494 ======================= Grid point 317 (172/226) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 1.888 1.958 1.738) 3.228 2.440 ( 7.517 4.022 -7.634) 11.444 2.654 ( -1.753 -4.796 3.213) 6.033 2.760 ( -0.981 -1.439 -1.142) 2.083 3.052 ( -3.363 2.381 3.890) 5.666 3.536 ( 1.404 -4.625 2.049) 5.250 3.719 ( -3.215 -3.483 3.435) 5.854 4.250 ( 0.046 0.331 -4.311) 4.324 4.596 ( -8.779 5.653 3.477) 11.005 5.550 ( 12.857 5.015 0.326) 13.805 6.571 ( 0.546 -10.818 -1.851) 10.989 7.085 ( -4.254 1.284 0.355) 4.458 8.133 ( 3.517 2.176 1.111) 4.283 8.282 ( -3.572 -1.325 -2.448) 4.528 8.645 ( -7.030 -4.602 -3.094) 8.954 8.925 ( 3.556 0.081 -3.045) 4.683 9.311 ( -5.532 -0.315 0.944) 5.621 9.781 ( 8.281 1.148 8.418) 11.864 12.278 ( -3.982 3.422 2.567) 5.844 13.242 ( 8.925 -3.314 -4.118) 10.373 13.542 ( -1.583 2.334 -9.503) 9.913 14.276 ( -9.183 -4.067 8.516) 13.168 14.402 ( 4.344 3.552 7.474) 9.346 15.067 ( -2.376 -2.828 -2.162) 4.280 15.376 ( -4.075 1.230 -22.760) 23.155 16.311 ( 4.374 4.522 11.811) 13.382 16.548 ( 1.206 -7.338 2.825) 7.955 17.538 ( -0.625 3.606 -0.868) 3.761 17.721 ( 1.231 0.348 -0.418) 1.346 17.993 ( 0.148 0.051 1.913) 1.919 ======================= Grid point 318 (173/226) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -0.458 1.028 2.718) 2.942 2.502 ( 0.575 -6.126 -6.856) 9.212 2.629 ( 5.943 -0.814 -1.659) 6.224 2.748 ( 2.810 0.633 -1.135) 3.096 3.052 ( -3.351 3.005 5.230) 6.900 3.495 ( -6.119 -0.375 2.501) 6.621 3.680 ( -1.714 0.716 3.683) 4.125 4.236 ( -0.618 2.568 -1.540) 3.057 4.550 ( -2.781 1.655 1.557) 3.591 5.805 ( 13.228 2.812 -0.577) 13.536 6.457 ( -0.997 -10.247 -3.009) 10.726 7.019 ( -3.545 -0.303 -0.149) 3.561 8.176 ( -3.725 -3.704 -1.800) 5.553 8.235 ( 4.595 2.182 0.353) 5.099 8.457 ( -9.056 -2.746 -1.375) 9.562 8.964 ( 2.415 1.959 -4.434) 5.416 9.229 ( -4.974 -0.169 3.310) 5.977 10.000 ( 8.408 3.533 6.832) 11.396 12.300 ( 0.490 3.098 2.446) 3.977 13.141 ( -6.630 -4.767 -8.647) 11.893 13.625 ( 8.418 3.282 -2.779) 9.453 14.081 ( -8.182 -16.335 8.339) 20.083 14.480 ( 1.454 2.005 -3.167) 4.021 14.969 ( -5.142 -3.535 -0.311) 6.248 15.278 ( 1.292 6.051 -13.973) 15.282 16.390 ( -8.256 0.741 12.119) 14.683 16.619 ( 12.608 0.016 -2.002) 12.766 17.568 ( -0.017 3.318 1.751) 3.751 17.745 ( 1.426 0.995 -1.467) 2.275 18.006 ( -0.531 0.514 1.761) 1.910 ======================= Grid point 319 (174/226) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -6.863 -3.355 0.818) 7.683 2.417 ( 4.672 -6.912 -5.294) 9.881 2.663 ( 0.849 -4.720 1.323) 4.974 2.888 ( 9.513 3.625 -1.598) 10.305 3.049 ( -5.119 4.948 2.658) 7.599 3.374 ( -9.763 3.104 1.518) 10.356 3.706 ( 0.157 3.448 0.399) 3.475 4.281 ( 1.720 6.166 0.510) 6.422 4.555 ( 1.446 -0.558 1.612) 2.236 6.025 ( 15.074 -6.178 0.208) 16.292 6.291 ( -8.765 -3.615 -2.929) 9.924 6.983 ( -0.289 0.152 0.234) 0.402 8.076 ( -2.904 -3.158 -0.796) 4.364 8.220 ( -2.523 -9.987 -4.899) 11.406 8.396 ( -0.713 8.375 4.942) 9.751 8.978 ( 0.154 1.862 -4.464) 4.839 9.196 ( -1.958 0.880 3.539) 4.139 10.176 ( 3.942 4.689 2.841) 6.753 12.357 ( 1.164 2.175 1.424) 2.849 12.962 ( -3.954 -1.261 -5.858) 7.179 13.744 ( 3.111 -1.643 3.323) 4.840 13.833 ( -4.256 -16.153 0.060) 16.705 14.494 ( 4.490 -4.315 -4.322) 7.580 14.831 ( -9.708 2.484 -0.206) 10.023 15.319 ( 4.516 1.071 -3.661) 5.911 16.291 ( -6.805 -3.170 3.545) 8.302 16.846 ( 9.650 7.635 0.751) 12.327 17.620 ( 0.581 2.807 3.840) 4.792 17.764 ( 1.019 1.398 -3.296) 3.723 17.996 ( -2.208 -0.024 0.916) 2.390 ======================= Grid point 324 (175/226) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -4.791 9.265 6.098) 12.082 2.323 ( 0.176 3.536 1.775) 3.960 2.549 ( 2.605 -3.866 6.869) 8.301 2.793 ( 1.433 -1.784 -3.474) 4.160 3.277 ( 3.085 -3.552 -5.477) 7.220 3.544 ( 6.493 -2.175 0.686) 6.882 3.995 ( -0.985 -2.075 -8.865) 9.158 4.216 ( -4.663 0.797 -3.003) 5.603 4.709 ( -3.217 -6.349 -1.614) 7.298 5.409 ( -11.061 13.891 6.713) 18.983 6.515 ( 15.050 -6.271 1.231) 16.350 7.094 ( -4.329 -3.536 -0.480) 5.610 8.051 ( 4.318 5.822 5.973) 9.392 8.126 ( 1.215 -1.806 5.299) 5.729 8.618 ( -2.879 -5.712 -2.554) 6.887 8.836 ( 3.219 0.058 0.742) 3.304 9.301 ( -0.173 -1.865 0.966) 2.108 10.193 ( -0.206 4.798 -10.947) 11.954 12.466 ( -2.700 -3.522 -7.489) 8.705 13.047 ( 1.118 -4.007 6.113) 7.394 13.215 ( -0.816 12.668 6.749) 14.377 14.251 ( -3.883 7.022 4.879) 9.391 14.323 ( 3.416 -18.293 20.709) 27.842 14.936 ( 2.455 5.001 0.517) 5.595 15.179 ( 9.131 -3.737 -11.339) 15.030 16.228 ( 1.416 8.244 9.288) 12.500 16.950 ( -8.813 -7.624 -13.314) 17.694 17.619 ( -0.444 4.691 -4.475) 6.498 17.729 ( -1.053 -1.448 -0.786) 1.956 18.011 ( 1.086 0.994 1.391) 2.025 ======================= Grid point 325 (176/226) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -0.019 11.774 7.539) 13.981 2.354 ( -1.834 3.253 2.200) 4.334 2.581 ( -1.721 0.220 6.309) 6.543 2.752 ( 0.377 -2.574 -4.491) 5.190 3.232 ( 2.135 -5.746 -8.288) 10.308 3.651 ( 8.371 -4.752 0.458) 9.636 3.818 ( -5.889 -10.011 -6.284) 13.206 4.177 ( -0.180 1.373 -3.003) 3.306 4.621 ( 1.354 -2.658 -2.478) 3.878 5.405 ( -13.463 15.787 10.040) 23.050 6.724 ( 13.711 -4.857 0.730) 14.564 6.997 ( -3.266 -1.585 0.504) 3.665 8.106 ( -2.438 0.232 3.390) 4.182 8.231 ( 4.165 3.664 2.803) 6.215 8.534 ( 2.486 -6.912 -0.691) 7.378 8.894 ( 3.248 -0.183 0.495) 3.291 9.268 ( -0.392 -4.153 -0.195) 4.176 10.127 ( -5.293 2.489 -8.406) 10.241 12.413 ( 3.274 1.578 -7.427) 8.268 12.974 ( -5.913 -7.738 8.053) 12.637 13.461 ( 4.938 18.598 4.385) 19.736 14.144 ( -12.547 2.728 5.422) 13.938 14.378 ( 6.232 -14.890 15.100) 22.104 15.077 ( 4.759 8.934 -2.470) 10.420 15.245 ( 12.185 -6.150 -9.124) 16.418 16.389 ( -0.462 7.948 11.870) 14.292 16.649 ( -7.797 -9.363 -11.205) 16.553 17.610 ( -1.510 3.698 -5.693) 6.955 17.703 ( -0.578 -0.862 0.405) 1.114 18.026 ( 0.015 -0.413 -0.083) 0.421 ======================= Grid point 326 (177/226) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -2.089 1.136 0.143) 2.382 2.387 ( -3.824 6.701 4.961) 9.172 2.604 ( 0.828 5.842 2.353) 6.352 2.734 ( 1.391 -3.248 1.843) 3.985 3.152 ( 0.415 -3.862 -7.791) 8.706 3.583 ( -2.723 -11.837 -5.240) 13.228 3.724 ( 3.731 -4.157 1.069) 5.688 4.178 ( 1.490 -0.198 -1.806) 2.350 4.688 ( 8.066 0.879 -1.602) 8.270 5.375 ( -14.276 13.584 9.776) 21.998 6.768 ( -0.492 -7.990 -1.473) 8.139 7.043 ( 5.743 2.394 3.096) 6.950 8.075 ( -2.491 0.545 0.076) 2.551 8.292 ( 1.820 -0.313 -1.963) 2.695 8.585 ( 8.142 -4.220 2.679) 9.554 8.937 ( 0.807 1.630 -1.270) 2.218 9.223 ( 1.545 -5.574 0.066) 5.784 9.975 ( -9.446 0.505 -3.538) 10.100 12.483 ( 6.534 -0.309 -4.550) 7.968 12.856 ( -7.147 2.535 3.071) 8.182 13.683 ( 1.553 6.059 0.781) 6.304 14.062 ( -4.560 8.742 5.931) 11.506 14.429 ( 5.750 -13.229 13.838) 19.989 15.175 ( -0.842 13.366 -11.566) 17.696 15.348 ( 14.173 -11.806 -4.574) 19.005 16.313 ( -12.117 0.499 -8.397) 14.750 16.574 ( 2.515 -2.391 14.167) 14.586 17.581 ( -1.585 3.241 -5.771) 6.806 17.696 ( -0.297 -0.342 1.365) 1.438 18.009 ( -0.632 -1.257 -0.551) 1.511 ======================= Grid point 327 (178/226) ======================= q-point: ( 0.55 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -2.953 0.211 0.391) 2.986 2.362 ( -3.008 4.448 -3.853) 6.609 2.714 ( 0.892 -3.053 2.586) 4.099 2.719 ( 1.851 -1.322 2.171) 3.144 3.112 ( -0.150 1.770 -1.147) 2.114 3.461 ( 1.388 -6.210 -1.979) 6.664 3.732 ( 1.522 -4.389 1.696) 4.946 4.209 ( 2.161 1.993 -1.020) 3.111 4.820 ( 5.075 1.231 -0.839) 5.289 5.333 ( -8.481 8.781 7.359) 14.254 6.632 ( -3.454 -8.687 -2.322) 9.632 7.154 ( 1.932 1.568 2.669) 3.649 8.050 ( 0.065 0.578 -2.158) 2.235 8.298 ( 2.305 -1.791 -3.429) 4.503 8.696 ( 6.549 -2.955 1.688) 7.380 8.908 ( -4.028 1.174 -3.932) 5.750 9.253 ( 6.459 -2.617 1.341) 7.097 9.815 ( -8.938 0.039 3.113) 9.464 12.483 ( -2.845 -4.594 2.834) 6.102 12.898 ( 4.433 11.214 -5.170) 13.120 13.633 ( -3.317 -5.236 -3.073) 6.918 14.213 ( 4.184 11.331 0.721) 12.101 14.472 ( 1.931 -12.176 16.886) 20.907 15.180 ( -4.175 12.158 -12.539) 17.957 15.367 ( 7.528 -12.767 -12.581) 19.441 16.144 ( -2.795 1.947 -3.668) 5.006 16.660 ( -2.286 -1.313 16.910) 17.114 17.559 ( -0.735 3.229 -4.498) 5.586 17.701 ( -0.080 -0.016 1.765) 1.767 17.987 ( -0.116 -1.153 0.008) 1.159 ======================= Grid point 328 (179/226) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.840 -0.296 -0.111) 0.897 2.363 ( 2.019 4.423 -6.083) 7.787 2.626 ( -2.239 -8.281 0.082) 8.579 2.749 ( 0.571 -2.430 -0.032) 2.496 3.148 ( -1.573 3.857 5.080) 6.569 3.467 ( 3.433 -0.880 -0.286) 3.555 3.736 ( 0.915 -1.710 4.299) 4.716 4.261 ( 0.433 4.308 -0.323) 4.341 4.815 ( -7.428 2.812 0.284) 7.948 5.387 ( 6.381 -1.897 3.613) 7.574 6.490 ( -2.422 -5.759 -3.412) 7.118 7.159 ( -3.033 -0.378 1.048) 3.231 8.064 ( 3.343 -1.433 -2.660) 4.505 8.284 ( 0.150 -1.029 -4.191) 4.318 8.712 ( -3.878 -1.493 -0.738) 4.221 8.857 ( 1.710 1.712 -3.052) 3.895 9.341 ( 2.775 0.135 -0.965) 2.941 9.767 ( -0.192 -0.062 10.499) 10.501 12.403 ( -4.959 -0.436 3.421) 6.040 13.070 ( 7.521 5.248 -3.573) 9.842 13.510 ( -1.560 -2.189 -8.438) 8.856 14.324 ( 2.786 -5.855 -1.916) 6.761 14.437 ( -4.349 -7.580 13.420) 16.015 15.114 ( -5.396 4.439 -8.467) 10.978 15.261 ( 2.417 -0.346 -19.781) 19.931 16.219 ( 8.237 2.977 1.140) 8.832 16.670 ( -7.103 -1.178 16.458) 17.964 17.568 ( 0.257 3.466 -1.868) 3.945 17.713 ( 0.240 0.184 1.386) 1.418 17.990 ( 1.029 -0.384 0.826) 1.374 ======================= Grid point 329 (180/226) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 3.107 -6.844 -2.363) 7.879 2.443 ( 3.093 3.533 -6.208) 7.784 2.519 ( 1.563 -3.634 -0.310) 3.968 2.711 ( -1.231 -4.651 0.742) 4.868 3.173 ( -3.032 4.592 4.070) 6.844 3.533 ( 1.547 4.155 0.102) 4.435 3.778 ( -0.867 1.688 7.794) 8.021 4.293 ( -1.746 5.534 -0.297) 5.811 4.687 ( -9.554 2.363 0.739) 9.870 5.500 ( 14.105 -15.443 1.722) 20.986 6.420 ( -1.357 2.810 -4.661) 5.609 7.082 ( -4.583 -1.799 0.222) 4.929 8.071 ( 3.714 -6.936 -3.394) 8.568 8.235 ( -1.913 -0.320 -4.585) 4.978 8.612 ( -7.337 3.661 1.094) 8.272 8.919 ( 3.280 4.195 -3.276) 6.252 9.316 ( -3.717 -0.447 -0.050) 3.744 9.922 ( 8.666 0.231 11.026) 14.025 12.368 ( -2.535 2.323 2.673) 4.355 13.114 ( -1.319 -3.160 -4.794) 5.891 13.508 ( 6.236 4.824 -7.552) 10.917 14.112 ( -9.865 -19.148 4.400) 21.984 14.398 ( 1.793 -7.659 -2.858) 8.369 15.039 ( -2.161 2.592 -4.967) 6.005 15.218 ( 0.529 6.669 -14.384) 15.864 16.411 ( 8.697 1.260 -1.407) 8.899 16.636 ( -6.525 2.052 17.118) 18.434 17.607 ( 0.533 3.435 1.070) 3.637 17.729 ( 0.689 0.357 0.062) 0.778 18.015 ( 1.046 0.283 0.906) 1.413 ======================= Grid point 330 (181/226) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 2.373 -13.688 -8.017) 16.040 2.381 ( -3.669 -0.605 2.304) 4.374 2.622 ( 0.031 -11.569 0.979) 11.611 2.703 ( 11.098 8.389 -2.764) 14.183 3.203 ( -3.504 7.751 2.349) 8.825 3.553 ( -4.917 6.526 -2.613) 8.579 3.813 ( -4.512 4.155 8.325) 10.340 4.324 ( -0.222 6.178 -1.767) 6.429 4.600 ( -3.974 2.126 3.302) 5.587 5.563 ( 17.060 -26.910 0.577) 31.868 6.429 ( -3.188 11.137 -4.291) 12.353 7.006 ( -2.253 -1.428 0.850) 2.799 8.015 ( 2.219 -9.442 -3.371) 10.269 8.149 ( -3.300 -2.946 -5.085) 6.740 8.584 ( -5.495 8.835 4.600) 11.376 8.979 ( 0.494 5.738 -4.911) 7.569 9.254 ( -2.706 -1.367 2.359) 3.841 10.129 ( 8.064 0.514 6.796) 10.559 12.387 ( -0.300 3.062 1.450) 3.401 12.987 ( -4.660 -0.929 -6.521) 8.069 13.632 ( 6.462 0.094 -2.951) 7.104 13.799 ( -7.510 -15.403 1.441) 17.197 14.309 ( 3.431 -14.394 -2.993) 15.097 15.006 ( -3.761 4.595 -2.550) 6.462 15.223 ( 1.998 4.130 -8.975) 10.079 16.396 ( -6.415 -2.534 2.308) 7.273 16.808 ( 7.613 8.581 9.755) 15.058 17.658 ( 0.521 2.647 3.124) 4.127 17.741 ( 0.877 0.607 -2.059) 2.319 18.025 ( -0.761 0.072 -0.064) 0.768 ======================= Grid point 335 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 10.648 -5.319 4.088) 12.585 2.338 ( -1.754 9.027 4.700) 10.327 2.511 ( 1.350 -0.479 0.899) 1.691 2.731 ( 3.176 -2.371 -1.115) 4.117 3.223 ( -3.330 -1.079 -1.766) 3.921 3.528 ( -4.297 0.688 0.814) 4.427 3.955 ( -1.687 1.470 -11.093) 11.316 4.282 ( -4.480 -0.304 0.679) 4.541 4.712 ( -5.431 -6.000 -1.529) 8.236 5.523 ( 17.153 4.426 -0.836) 17.734 6.339 ( -2.748 -0.428 3.971) 4.848 7.094 ( -1.028 -4.823 -1.083) 5.049 7.995 ( 9.095 0.385 4.844) 10.311 8.139 ( 0.357 -1.526 5.646) 5.859 8.650 ( -7.943 -2.029 -2.882) 8.690 8.858 ( -2.386 3.545 2.989) 5.215 9.303 ( -0.299 -1.555 1.224) 2.001 10.138 ( 3.624 4.491 -11.852) 13.183 12.440 ( -2.182 -2.724 -5.192) 6.256 13.012 ( -0.038 -6.023 5.975) 8.484 13.391 ( -0.948 12.827 5.092) 13.833 14.063 ( 11.973 -16.699 10.708) 23.170 14.328 ( 8.143 -1.391 3.913) 9.141 14.991 ( 3.945 -1.282 0.007) 4.148 15.066 ( -7.719 4.887 2.406) 9.447 16.342 ( -0.581 7.788 5.945) 9.815 16.935 ( -7.085 -5.192 -15.584) 17.889 17.646 ( -0.817 3.818 -2.977) 4.910 17.730 ( -0.810 -1.201 -0.174) 1.459 18.013 ( 0.890 1.011 1.293) 1.867 ======================= Grid point 336 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 5.729 -1.103 7.150) 9.228 2.380 ( -1.667 2.417 -0.620) 3.001 2.583 ( 3.459 4.527 3.863) 6.884 2.756 ( 0.433 1.150 -1.974) 2.325 3.138 ( -2.027 -3.526 -3.938) 5.661 3.504 ( 1.787 -4.244 1.107) 4.737 3.798 ( -6.102 -5.094 -8.784) 11.847 4.221 ( -3.610 1.714 0.031) 3.996 4.590 ( -1.933 -2.374 -2.371) 3.872 5.764 ( -2.119 14.835 3.498) 15.389 6.409 ( 13.328 -6.937 2.221) 15.189 7.021 ( -2.205 -3.049 -0.441) 3.789 8.129 ( 1.082 -3.533 3.239) 4.914 8.199 ( 7.437 2.727 3.902) 8.830 8.476 ( -6.481 -5.112 -2.900) 8.749 8.886 ( -0.003 2.068 3.630) 4.178 9.264 ( -2.133 -2.367 -0.677) 3.258 10.152 ( -0.344 4.565 -9.086) 10.174 12.366 ( -0.758 0.552 -4.757) 4.849 12.987 ( -0.677 -7.542 7.673) 10.781 13.570 ( 3.408 13.373 3.383) 14.210 14.124 ( 10.878 -18.591 6.733) 22.567 14.399 ( -5.383 3.626 2.782) 7.061 14.963 ( 3.603 -6.255 1.028) 7.292 15.143 ( 2.372 8.702 0.114) 9.020 16.447 ( 3.030 -1.601 6.460) 7.312 16.696 ( -8.966 3.144 -11.384) 14.829 17.632 ( -1.489 2.730 -4.880) 5.787 17.717 ( -0.724 0.018 1.531) 1.693 18.024 ( -0.251 -0.429 -0.029) 0.497 ======================= Grid point 337 (184/226) ======================= q-point: ( 0.45 0.73 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -0.580 -3.352 -2.874) 4.453 2.480 ( 3.103 0.713 7.795) 8.420 2.695 ( 1.783 1.098 0.871) 2.268 2.736 ( -6.206 8.190 0.399) 10.284 3.065 ( 1.201 -3.229 -3.646) 5.016 3.440 ( 0.764 -11.038 -5.932) 12.554 3.672 ( -0.544 -1.482 0.702) 1.728 4.195 ( -1.962 2.312 0.406) 3.060 4.590 ( 3.822 1.370 -1.440) 4.308 5.785 ( -13.364 12.842 5.250) 19.263 6.586 ( 12.300 -9.052 -0.816) 15.293 6.993 ( 2.126 -0.069 1.223) 2.454 8.111 ( -0.783 -1.926 0.556) 2.152 8.286 ( -5.041 -0.141 -4.516) 6.769 8.407 ( 9.977 -4.381 3.447) 11.429 8.938 ( 1.327 1.865 2.998) 3.772 9.191 ( -2.320 -2.754 -1.531) 3.913 10.094 ( -5.788 2.904 -4.338) 7.795 12.375 ( 3.358 1.218 -3.815) 5.227 12.948 ( -1.830 -3.470 5.635) 6.866 13.731 ( 0.619 6.431 -0.443) 6.476 14.175 ( 11.058 -15.197 0.986) 18.820 14.318 ( -9.370 6.859 8.750) 14.540 15.006 ( 10.398 -11.152 -2.744) 15.493 15.259 ( 0.587 11.024 -3.165) 11.484 16.359 ( -4.789 -7.479 -8.041) 11.980 16.684 ( -1.605 8.751 9.866) 13.284 17.598 ( -1.586 2.454 -5.572) 6.292 17.720 ( -0.875 0.594 2.718) 2.916 18.002 ( -0.708 -1.424 -0.861) 1.808 ======================= Grid point 338 (185/226) ======================= q-point: (-0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 0.615 -4.327 -3.507) 5.604 2.489 ( -6.493 0.164 1.666) 6.705 2.677 ( -0.811 -3.840 -1.375) 4.158 2.723 ( -2.591 4.252 0.273) 4.987 3.107 ( 4.572 1.991 3.158) 5.903 3.354 ( 2.916 -4.995 -4.463) 7.306 3.690 ( 1.355 -0.700 3.095) 3.450 4.214 ( 0.642 3.293 1.061) 3.519 4.703 ( 7.319 1.912 0.019) 7.565 5.655 ( -15.294 4.411 3.927) 16.395 6.580 ( -0.149 -6.882 -2.904) 7.471 7.101 ( 6.644 0.014 2.623) 7.143 8.061 ( -2.953 -0.505 -3.684) 4.748 8.202 ( 2.346 -4.263 -3.814) 6.183 8.565 ( 8.193 0.162 2.193) 8.483 8.964 ( -2.369 1.756 -2.142) 3.645 9.159 ( 2.777 -1.894 2.224) 4.030 9.984 ( -8.422 1.657 1.511) 8.716 12.420 ( 3.590 -3.182 0.035) 4.797 12.958 ( 0.333 5.980 -0.127) 5.991 13.671 ( -7.371 -1.976 -2.884) 8.158 14.161 ( 5.280 -7.766 -7.412) 11.964 14.423 ( 3.524 0.575 16.117) 16.508 15.029 ( 9.315 -12.431 -7.158) 17.104 15.304 ( -3.341 10.108 -9.045) 13.970 16.190 ( -4.350 0.539 -6.244) 7.629 16.809 ( -1.435 3.798 16.626) 17.114 17.567 ( -0.732 2.615 -5.354) 6.003 17.729 ( -1.027 0.600 3.336) 3.541 17.972 ( -0.166 -1.621 -0.996) 1.909 ======================= Grid point 339 (186/226) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 0.991 -6.525 -2.804) 7.171 2.377 ( -4.026 0.019 -4.225) 5.836 2.585 ( -1.703 -5.231 -2.916) 6.226 2.733 ( -1.248 1.827 1.453) 2.647 3.240 ( 0.280 6.140 5.373) 8.163 3.385 ( 7.192 -1.266 1.177) 7.397 3.735 ( 1.086 2.082 3.157) 3.935 4.286 ( 2.361 4.276 0.969) 4.980 4.828 ( 5.007 0.365 0.827) 5.088 5.422 ( -11.915 -8.382 1.789) 14.677 6.493 ( -2.926 0.424 -3.159) 4.327 7.173 ( 1.090 -2.456 1.869) 3.273 7.989 ( 0.031 -2.939 -5.248) 6.014 8.206 ( 3.700 -2.093 -4.918) 6.500 8.699 ( 4.650 2.684 1.677) 5.625 8.893 ( -4.114 2.621 -3.829) 6.202 9.252 ( 6.164 -0.663 2.089) 6.542 9.889 ( -6.576 0.257 7.609) 10.060 12.424 ( 0.944 -5.065 3.345) 6.143 13.068 ( 2.718 11.384 -2.756) 12.024 13.489 ( -6.319 -3.232 -6.554) 9.661 14.125 ( 6.316 -12.777 -6.049) 15.484 14.499 ( -2.755 -6.230 8.950) 11.248 14.985 ( 5.858 -11.125 -10.317) 16.264 15.270 ( -3.884 11.919 -11.217) 16.822 16.181 ( 1.986 6.207 -1.654) 6.724 16.887 ( -5.562 1.255 18.837) 19.681 17.570 ( 1.220 3.175 -3.684) 5.014 17.736 ( -1.044 0.204 3.120) 3.296 17.963 ( 1.338 -1.146 -0.569) 1.852 ======================= Grid point 340 (187/226) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.667 -12.652 -4.659) 13.500 2.336 ( 4.272 -2.077 -6.492) 8.045 2.505 ( -2.028 -3.100 -0.431) 3.730 2.740 ( -2.433 4.085 2.012) 5.163 3.278 ( -1.820 4.849 1.371) 5.357 3.560 ( 4.480 7.105 5.413) 9.993 3.812 ( 2.904 2.492 5.473) 6.678 4.360 ( 0.494 5.205 -0.952) 5.314 4.851 ( -4.402 1.334 0.511) 4.628 5.167 ( 0.510 -24.020 1.457) 24.070 6.479 ( -1.581 8.554 -3.168) 9.258 7.123 ( -3.234 -4.398 0.897) 5.532 7.934 ( 1.850 -5.899 -5.440) 8.235 8.200 ( 1.270 -1.558 -5.901) 6.234 8.756 ( -3.354 5.329 2.085) 6.633 8.906 ( 2.495 7.073 -2.470) 7.897 9.317 ( 1.763 -1.668 -1.465) 2.835 9.896 ( 1.425 -1.651 12.192) 12.385 12.413 ( -0.034 -2.663 3.767) 4.613 13.138 ( -4.766 4.227 -2.509) 6.847 13.408 ( 4.950 3.346 -8.537) 10.420 14.016 ( 0.738 -18.473 -3.063) 18.739 14.329 ( -6.966 -10.505 -3.891) 13.192 14.927 ( 5.122 -7.040 -8.349) 12.063 15.283 ( -2.476 12.155 -7.570) 14.532 16.322 ( 6.411 7.754 -0.655) 10.082 16.883 ( -8.636 0.326 18.657) 20.561 17.620 ( 2.227 3.583 -0.839) 4.302 17.735 ( -0.827 -0.350 1.945) 2.142 17.986 ( 2.488 -0.528 -0.346) 2.566 ======================= Grid point 341 (188/226) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 1.462 -17.027 -7.621) 18.711 2.364 ( 9.151 -12.996 -4.260) 16.455 2.453 ( -3.154 1.551 1.659) 3.886 2.766 ( -2.376 9.837 1.259) 10.198 3.328 ( -1.021 7.826 1.405) 8.017 3.665 ( -2.333 8.645 -1.496) 9.078 3.937 ( 2.032 2.373 9.747) 10.235 4.381 ( -1.897 5.207 -4.257) 6.988 4.748 ( -8.102 2.803 1.868) 8.774 5.026 ( 12.640 -32.278 2.120) 34.729 6.550 ( -0.587 12.411 -2.843) 12.746 7.028 ( -2.840 -4.555 1.102) 5.480 7.866 ( 1.757 -7.563 -4.800) 9.128 8.143 ( -1.772 -1.965 -5.532) 6.132 8.776 ( -4.137 8.530 4.116) 10.335 9.011 ( 1.365 9.531 -3.649) 10.296 9.273 ( -1.663 -3.694 -1.081) 4.193 10.029 ( 7.576 -2.994 10.238) 13.083 12.420 ( 0.024 -0.279 2.322) 2.339 13.024 ( -5.166 -0.154 -5.591) 7.614 13.536 ( 6.175 4.621 -2.487) 8.103 13.772 ( -6.356 -14.572 -3.295) 16.236 14.106 ( -0.689 -15.497 -5.261) 16.380 14.910 ( 5.740 -6.301 -7.541) 11.381 15.310 ( -3.639 11.487 -4.277) 12.786 16.465 ( 0.849 5.809 -0.705) 5.913 16.896 ( -2.055 3.038 16.683) 17.081 17.687 ( 1.348 2.940 1.563) 3.592 17.726 ( -0.208 -0.656 -0.465) 0.830 18.015 ( 1.500 -0.420 -1.218) 1.978 ======================= Grid point 401 (189/226) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 0.000 20.554) 20.554 1.153 ( 0.000 0.000 20.554) 20.554 2.426 ( 0.000 -0.000 28.631) 28.631 3.057 ( 0.000 -0.000 5.838) 5.838 3.328 ( -0.000 0.000 -15.886) 15.886 3.328 ( -0.000 -0.000 -15.886) 15.886 4.365 ( -0.000 0.000 -4.958) 4.958 4.685 ( 0.000 0.000 5.680) 5.680 4.685 ( 0.000 -0.000 5.680) 5.680 5.531 ( -0.000 0.000 -12.209) 12.209 6.706 ( 0.000 0.000 2.101) 2.101 6.706 ( 0.000 -0.000 2.101) 2.101 8.098 ( 0.000 -0.000 4.143) 4.143 8.098 ( 0.000 -0.000 4.143) 4.143 8.676 ( -0.000 0.000 -0.584) 0.584 8.676 ( 0.000 0.000 -0.584) 0.584 9.943 ( 0.000 -0.000 0.868) 0.868 10.266 ( -0.000 0.000 -1.590) 1.590 12.250 ( 0.000 0.000 4.210) 4.210 12.250 ( 0.000 -0.000 4.210) 4.210 12.974 ( -0.000 0.000 -4.509) 4.509 12.974 ( -0.000 0.000 -4.509) 4.509 14.875 ( 0.000 0.000 12.271) 12.271 14.875 ( 0.000 -0.000 12.271) 12.271 15.686 ( 0.000 -0.000 1.578) 1.578 16.716 ( 0.000 -0.000 0.591) 0.591 17.271 ( -0.000 0.000 -6.513) 6.513 17.271 ( -0.000 -0.000 -6.513) 6.513 17.732 ( 0.000 -0.000 0.265) 0.265 17.951 ( 0.000 -0.000 3.062) 3.062 ======================= Grid point 402 (190/226) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 2.211 8.320 17.853) 19.820 1.593 ( 19.250 7.998 18.132) 27.628 2.613 ( 6.118 1.389 10.596) 12.313 2.956 ( -11.152 -1.555 -1.292) 11.334 3.230 ( 6.226 -3.470 3.754) 8.056 3.368 ( 4.391 2.751 -15.878) 16.702 4.263 ( -7.720 -2.215 -1.089) 8.105 4.615 ( -1.092 -9.830 4.094) 10.704 4.766 ( -2.753 4.932 1.607) 5.873 5.340 ( -9.377 -2.884 -8.022) 12.673 6.708 ( 0.979 -0.204 2.604) 2.789 6.794 ( 4.481 3.441 1.432) 5.829 8.103 ( -0.747 -3.234 4.635) 5.701 8.145 ( 0.178 2.355 5.056) 5.580 8.595 ( -2.794 0.350 -0.697) 2.901 8.851 ( 10.887 4.720 -3.815) 12.464 9.863 ( -7.360 -4.317 0.143) 8.534 10.170 ( -5.192 -4.657 -0.450) 6.989 12.239 ( 4.931 -3.600 3.861) 7.224 12.487 ( 9.489 10.406 5.737) 15.207 12.836 ( -7.121 7.570 -6.142) 12.072 13.239 ( 20.983 3.280 -6.049) 22.082 14.846 ( -9.979 3.855 12.794) 16.677 14.944 ( 1.125 -8.848 10.300) 13.625 15.749 ( 4.437 2.206 3.197) 5.897 16.550 ( -14.317 -7.557 -0.961) 16.218 17.197 ( -5.997 5.938 -5.808) 10.245 17.288 ( 7.903 -4.371 -5.808) 10.738 17.750 ( 1.069 0.735 -1.121) 1.714 17.972 ( 0.520 -0.591 3.251) 3.345 ======================= Grid point 403 (191/226) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 7.069 11.403 12.871) 18.592 2.005 ( 8.060 4.362 18.264) 20.434 2.684 ( -4.144 -0.139 -0.956) 4.256 2.854 ( 7.374 1.133 -12.973) 14.965 3.328 ( 1.685 -1.902 -13.118) 13.362 3.461 ( 14.540 2.334 13.991) 20.313 4.088 ( -10.706 -3.284 4.277) 11.987 4.451 ( -6.884 -14.068 -0.170) 15.663 4.742 ( -2.332 1.753 -0.750) 3.012 5.173 ( -7.688 5.267 -2.718) 9.708 6.753 ( 2.221 -0.615 2.777) 3.608 6.921 ( 4.881 4.742 0.812) 6.854 8.065 ( -2.303 -5.254 5.155) 7.712 8.189 ( -1.310 1.628 5.139) 5.548 8.591 ( 0.460 3.410 -0.224) 3.449 9.003 ( 5.381 1.669 -4.786) 7.393 9.653 ( -10.328 -6.418 -0.204) 12.161 10.061 ( -0.780 -4.634 -2.739) 5.439 12.364 ( 12.143 -6.665 4.601) 14.596 12.663 ( -2.746 8.037 -5.867) 10.323 12.939 ( 5.690 21.392 6.009) 22.937 13.570 ( 19.177 0.088 -4.140) 19.619 14.773 ( -12.441 5.395 12.093) 18.169 14.921 ( 1.956 -10.570 7.068) 12.864 15.883 ( 4.956 1.298 5.843) 7.771 16.153 ( -19.548 -10.672 -3.686) 22.575 17.118 ( -5.143 5.653 -6.912) 10.305 17.363 ( 8.026 -2.397 -4.572) 9.543 17.756 ( 0.013 0.677 -1.861) 1.980 17.990 ( 0.672 -1.659 2.823) 3.343 ======================= Grid point 404 (192/226) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 7.300 9.102 8.438) 14.399 2.190 ( 2.067 0.433 12.585) 12.761 2.632 ( -2.315 3.091 2.381) 4.537 2.896 ( 1.924 0.427 -8.087) 8.324 3.250 ( 4.298 -6.010 -12.883) 14.851 3.765 ( 2.744 -0.252 -2.589) 3.781 3.965 ( 2.364 -2.176 9.627) 10.149 4.181 ( -8.880 -7.122 -2.640) 11.685 4.743 ( 1.752 -1.095 1.587) 2.605 5.144 ( -3.257 10.133 -0.118) 10.644 6.766 ( -1.690 -3.022 1.914) 3.957 7.047 ( 3.840 5.318 0.434) 6.574 8.006 ( -1.642 -5.718 5.509) 8.108 8.197 ( -2.237 0.241 5.010) 5.492 8.653 ( 1.069 5.120 0.468) 5.251 8.986 ( -3.151 -3.058 -2.806) 5.211 9.443 ( -7.462 -4.800 0.412) 8.882 10.024 ( 4.223 -3.331 -7.699) 9.392 12.528 ( 7.541 -2.603 1.841) 8.188 12.651 ( 2.818 3.622 -5.026) 6.806 13.281 ( 1.301 18.944 9.919) 21.423 13.826 ( 14.981 -0.271 0.861) 15.008 14.729 ( -4.852 2.514 10.654) 11.974 14.897 ( -1.630 -4.387 7.132) 8.530 15.650 ( -21.142 -9.833 -8.403) 24.785 16.026 ( 5.787 -3.870 7.222) 10.031 17.056 ( -3.579 6.991 -9.551) 12.365 17.440 ( 6.506 -1.857 -3.491) 7.614 17.748 ( -0.346 0.971 -1.889) 2.152 17.996 ( 0.442 -2.072 2.105) 2.987 ======================= Grid point 405 (193/226) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 6.242 6.246 5.985) 10.667 2.273 ( 2.368 -1.114 4.546) 5.245 2.664 ( -2.695 1.776 6.126) 6.925 2.824 ( -4.196 -0.779 -3.398) 5.455 3.220 ( 4.643 -3.036 -8.391) 10.060 3.587 ( -7.704 -8.307 0.183) 11.331 3.941 ( -1.518 -6.663 -7.040) 9.811 4.196 ( 3.889 7.288 -1.712) 8.436 4.781 ( 1.083 1.084 1.486) 2.135 5.279 ( 7.110 8.580 2.144) 11.348 6.635 ( -9.818 -5.946 1.365) 11.559 7.144 ( 1.419 5.034 -0.101) 5.231 7.987 ( 1.501 -5.057 5.455) 7.588 8.191 ( -1.930 -0.602 5.463) 5.825 8.706 ( -1.592 5.468 0.655) 5.733 8.856 ( -4.533 -5.100 -0.624) 6.852 9.337 ( -2.233 -1.817 1.055) 3.066 10.018 ( 4.716 -2.637 -11.141) 12.382 12.536 ( -4.334 7.067 -5.978) 10.220 12.812 ( 15.267 -6.719 3.248) 16.993 13.387 ( -8.868 7.301 9.602) 14.971 14.108 ( 13.346 2.503 4.440) 14.286 14.788 ( -3.280 1.333 19.184) 19.508 14.855 ( -6.566 1.356 4.941) 8.329 15.185 ( -12.357 -8.722 -15.205) 21.447 16.114 ( 5.786 -6.212 6.445) 10.659 17.014 ( -2.583 8.438 -12.679) 15.447 17.500 ( 5.046 -1.688 -2.167) 5.745 17.743 ( -0.207 1.341 -1.774) 2.233 17.994 ( 0.443 -1.950 1.405) 2.444 ======================= Grid point 406 (194/226) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 5.693 3.571 5.137) 8.458 2.280 ( -2.104 -3.663 1.231) 4.400 2.586 ( -7.050 -2.626 4.212) 8.622 2.757 ( -2.384 -1.379 -0.797) 2.867 3.228 ( 1.485 1.741 -3.245) 3.970 3.484 ( 2.346 -1.669 -1.754) 3.371 3.841 ( 1.071 -4.081 -7.469) 8.578 4.278 ( 2.680 3.451 -2.107) 4.850 4.815 ( -0.792 4.776 0.385) 4.857 5.435 ( 1.602 -2.188 -1.599) 3.148 6.427 ( -7.798 -1.620 3.412) 8.664 7.176 ( -2.236 3.207 -0.806) 3.991 7.992 ( -0.074 -5.403 5.156) 7.469 8.191 ( -1.036 -1.140 5.772) 5.974 8.709 ( -2.611 4.795 -0.673) 5.501 8.807 ( 2.593 -1.587 2.189) 3.747 9.323 ( 0.354 -1.000 1.143) 1.559 9.981 ( 2.173 -2.257 -12.512) 12.899 12.483 ( -3.864 3.463 -5.313) 7.426 13.010 ( 10.979 -2.730 2.717) 11.636 13.349 ( -5.496 2.339 9.223) 10.988 14.245 ( -0.222 -8.202 6.447) 10.435 14.570 ( -22.371 0.349 5.520) 23.045 14.995 ( -0.697 -1.149 0.185) 1.356 15.002 ( 8.261 4.381 6.257) 11.251 16.195 ( 7.636 -5.229 3.676) 9.958 16.967 ( -2.854 8.547 -15.813) 18.201 17.555 ( 4.312 -1.103 -0.535) 4.482 17.743 ( -0.179 1.343 -1.774) 2.232 17.991 ( 0.628 -1.965 0.820) 2.219 ======================= Grid point 413 (195/226) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 10.080 13.755 17.251) 24.257 1.631 ( -7.249 16.470 16.317) 24.291 2.633 ( -1.592 -0.702 3.651) 4.045 2.963 ( 4.873 -8.963 -11.293) 15.219 3.163 ( -5.704 1.359 4.372) 7.314 3.361 ( -0.684 7.060 -1.537) 7.258 4.278 ( 2.010 -3.751 -0.321) 4.267 4.599 ( -5.971 -10.563 5.012) 13.128 4.793 ( 3.003 -0.494 0.139) 3.047 5.292 ( 2.673 -6.010 -9.404) 11.476 6.735 ( -1.381 1.674 2.400) 3.235 6.785 ( 1.345 3.730 1.793) 4.352 8.128 ( -1.859 -2.186 4.924) 5.699 8.191 ( 1.407 2.821 5.232) 6.109 8.646 ( 3.282 2.770 -1.948) 4.716 8.772 ( -2.939 6.635 -3.545) 8.076 9.864 ( -0.022 -8.732 0.156) 8.733 10.146 ( -1.270 -9.651 -0.055) 9.735 12.228 ( -5.094 -1.736 3.957) 6.680 12.566 ( 4.179 17.371 8.431) 19.756 12.864 ( 12.121 4.501 -9.413) 15.994 13.163 ( -10.261 18.076 -6.578) 21.802 14.833 ( 2.688 -14.520 11.316) 18.604 15.092 ( -2.437 2.753 10.978) 11.578 15.754 ( -0.475 4.076 2.820) 4.979 16.583 ( 0.245 -12.165 -0.761) 12.191 17.083 ( 3.745 -8.265 -4.963) 10.342 17.297 ( -3.142 6.778 -5.704) 9.400 17.744 ( 0.137 0.864 -1.246) 1.522 17.990 ( -0.623 0.026 2.982) 3.046 ======================= Grid point 414 (196/226) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -3.434 18.297 12.785) 22.584 1.998 ( 14.626 11.696 14.940) 23.957 2.611 ( 2.857 -3.121 -4.050) 5.857 2.807 ( -4.979 -3.395 -7.944) 9.971 3.189 ( 3.357 2.860 -13.915) 14.597 3.432 ( 2.928 0.806 15.105) 15.407 4.242 ( -6.241 -1.274 5.080) 8.147 4.400 ( -4.736 -16.736 3.654) 17.772 4.744 ( -1.452 -5.122 -5.222) 7.457 5.260 ( -0.003 3.306 -4.801) 5.829 6.755 ( 0.288 1.798 2.622) 3.192 6.888 ( 4.328 4.268 1.094) 6.176 8.092 ( -2.700 -3.565 4.688) 6.479 8.256 ( -0.521 2.092 4.703) 5.174 8.667 ( -2.957 6.767 0.263) 7.390 8.867 ( 8.168 3.063 -5.983) 10.578 9.711 ( -6.216 -10.719 -0.006) 12.391 10.008 ( -2.391 -10.159 0.052) 10.436 12.197 ( 2.798 -4.297 3.941) 6.467 12.871 ( -3.126 21.766 1.616) 22.049 13.070 ( 8.299 17.809 -3.288) 19.920 13.261 ( 11.718 9.477 -5.633) 16.089 14.787 ( 2.145 -16.508 8.212) 18.562 15.079 ( -8.467 3.433 9.962) 13.517 15.842 ( 4.038 1.966 4.171) 6.129 16.319 ( -14.273 -13.054 -2.724) 19.533 17.075 ( 5.866 -7.853 -4.796) 10.912 17.288 ( -1.153 6.862 -3.927) 7.990 17.746 ( 0.407 0.367 -1.786) 1.868 17.993 ( -0.459 -1.077 2.905) 3.132 ======================= Grid point 415 (197/226) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -0.087 14.731 8.137) 16.829 2.276 ( -0.509 2.567 12.824) 13.088 2.692 ( 12.030 -0.112 -11.795) 16.848 2.712 ( -0.626 1.617 4.506) 4.828 3.109 ( -1.602 -2.307 -13.285) 13.578 3.647 ( 9.819 3.321 3.552) 10.957 4.046 ( -12.190 -12.766 5.685) 18.544 4.240 ( -4.265 -4.580 4.397) 7.648 4.672 ( 2.857 -5.667 -2.427) 6.795 5.273 ( -1.937 8.725 -4.338) 9.935 6.789 ( -0.735 0.924 2.552) 2.812 7.010 ( 5.413 3.314 0.287) 6.353 8.033 ( -3.312 -3.903 4.833) 7.040 8.265 ( -2.352 0.274 3.448) 4.183 8.718 ( -0.506 7.608 2.037) 7.892 8.933 ( 2.630 -2.700 -5.432) 6.612 9.501 ( -6.760 -8.806 0.448) 11.111 9.906 ( 0.772 -5.873 -2.512) 6.434 12.284 ( 10.108 -6.327 4.881) 12.885 12.874 ( -12.162 19.904 -8.359) 24.778 13.478 ( 5.867 22.332 9.052) 24.801 13.534 ( 19.253 1.775 -3.979) 19.739 14.703 ( 1.470 -12.796 4.915) 13.786 15.046 ( -5.689 3.705 7.573) 10.170 15.856 ( -14.902 -15.482 -2.539) 21.638 15.968 ( -1.706 1.460 4.390) 4.931 17.047 ( 2.182 -2.866 -7.990) 8.765 17.342 ( 2.846 3.527 -1.280) 4.709 17.743 ( 0.265 0.389 -2.018) 2.073 17.991 ( -0.265 -1.553 2.528) 2.979 ======================= Grid point 416 (198/226) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 1.314 11.359 5.576) 12.722 2.297 ( -2.327 0.240 4.769) 5.311 2.726 ( 1.318 1.428 0.897) 2.140 2.857 ( 0.079 0.079 1.782) 1.785 3.009 ( 6.850 -3.116 -9.701) 12.278 3.651 ( -9.548 -9.038 0.530) 13.158 3.846 ( 0.962 -6.570 -2.432) 7.071 4.214 ( -0.542 3.722 -0.568) 3.804 4.702 ( 6.508 -5.949 3.716) 9.568 5.330 ( 0.310 12.531 -4.484) 13.313 6.744 ( -6.500 -1.670 1.917) 6.980 7.125 ( 4.947 1.922 -0.272) 5.314 7.985 ( -1.829 -2.369 4.883) 5.728 8.243 ( -2.066 -1.307 3.828) 4.542 8.792 ( -0.974 6.217 2.827) 6.898 8.848 ( -2.436 -7.079 -3.562) 8.291 9.348 ( -3.247 -6.065 0.332) 6.888 9.889 ( 2.778 -0.053 -5.326) 6.007 12.443 ( 12.108 -7.706 5.392) 15.332 12.810 ( -9.175 16.275 -8.238) 20.419 13.615 ( -3.853 3.717 5.319) 7.546 13.927 ( 15.162 7.808 3.369) 17.384 14.720 ( 6.672 -3.242 7.598) 10.619 15.035 ( -1.889 0.771 -2.055) 2.896 15.377 ( -22.580 -10.172 1.782) 24.830 16.026 ( 2.565 -2.166 4.946) 5.977 17.007 ( 1.073 1.353 -11.798) 11.923 17.418 ( 3.464 1.259 0.821) 3.776 17.741 ( 0.296 0.834 -2.164) 2.338 17.986 ( -0.264 -1.443 1.915) 2.412 ======================= Grid point 417 (199/226) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 1.400 2.529 4.945) 5.728 2.292 ( -1.246 6.401 1.163) 6.625 2.708 ( -6.865 -3.039 3.257) 8.184 2.764 ( -1.706 -2.947 -2.146) 4.025 3.135 ( 8.519 1.609 -3.426) 9.322 3.441 ( -3.640 -6.651 0.078) 7.582 3.774 ( -1.176 -4.121 -3.077) 5.276 4.239 ( 2.097 1.509 -4.116) 4.859 4.784 ( 5.744 -4.183 2.993) 7.711 5.448 ( 0.758 12.051 -4.883) 13.025 6.584 ( -10.309 -2.291 2.882) 10.947 7.191 ( 2.109 -0.158 -1.250) 2.457 7.987 ( -0.173 -0.919 4.688) 4.781 8.222 ( -1.248 -2.822 4.755) 5.668 8.725 ( -0.851 -6.882 -1.570) 7.110 8.840 ( -1.881 5.361 3.236) 6.538 9.278 ( 0.986 -4.898 -1.078) 5.111 9.905 ( 0.722 3.836 -6.789) 7.831 12.518 ( 0.403 -4.418 -0.458) 4.460 12.855 ( 5.623 7.557 -1.011) 9.474 13.555 ( -8.752 2.100 5.635) 10.619 14.162 ( 6.751 -2.616 4.955) 8.773 14.792 ( -8.300 -13.434 -10.360) 18.886 14.968 ( 6.759 10.886 3.516) 13.287 15.106 ( -10.238 -2.002 15.737) 18.880 16.081 ( 3.633 -1.250 3.675) 5.317 16.960 ( 0.106 3.811 -15.665) 16.122 17.491 ( 3.280 0.450 2.609) 4.215 17.742 ( 0.248 1.214 -2.516) 2.805 17.977 ( -0.310 -1.377 1.227) 1.871 ======================= Grid point 424 (200/226) ======================= q-point: ( 0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 1.641 13.360 14.965) 20.128 2.036 ( -9.275 9.834 15.769) 20.770 2.664 ( -0.205 -3.042 -1.052) 3.225 2.763 ( 0.266 -0.407 -11.899) 11.909 3.253 ( -3.910 5.044 -13.648) 15.066 3.506 ( -5.446 5.059 11.674) 13.840 4.161 ( 6.284 -7.138 5.241) 10.858 4.640 ( 0.776 -8.164 0.611) 8.223 4.668 ( 2.478 -2.558 0.164) 3.565 5.097 ( 5.544 -6.492 -5.178) 9.985 6.804 ( -0.523 4.623 3.538) 5.845 6.844 ( -4.030 1.906 0.258) 4.466 8.154 ( 0.326 -3.364 5.159) 6.167 8.217 ( 1.948 3.070 4.210) 5.563 8.591 ( 2.873 2.700 -0.642) 3.995 8.920 ( -6.945 5.412 -4.997) 10.124 9.715 ( 5.998 -10.180 -0.338) 11.820 10.063 ( 0.178 -7.114 -1.267) 7.228 12.411 ( -8.840 5.088 3.847) 10.901 12.654 ( 0.158 -2.696 -4.680) 5.404 12.767 ( 3.344 19.315 5.847) 20.456 13.528 ( -12.810 20.977 -7.142) 25.596 14.716 ( 1.085 -16.327 11.580) 20.047 15.127 ( 5.857 1.789 5.663) 8.341 15.881 ( -5.103 5.143 5.047) 8.830 16.310 ( 14.219 -14.165 -1.028) 20.097 16.961 ( -1.422 -9.514 -3.968) 10.406 17.373 ( -2.284 7.021 -5.421) 9.160 17.738 ( -0.031 -0.286 -1.563) 1.589 18.018 ( -0.449 0.441 1.796) 1.903 ======================= Grid point 425 (201/226) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 12.283 15.059 10.243) 21.967 2.080 ( -7.008 11.357 10.372) 16.902 2.596 ( -4.763 -0.413 -1.444) 4.994 2.728 ( 4.233 -3.697 -5.496) 7.860 3.150 ( -3.232 5.222 -15.622) 16.786 3.524 ( -2.935 1.035 10.639) 11.084 4.218 ( 5.124 -10.458 6.800) 13.486 4.469 ( -11.452 -4.944 6.626) 14.124 4.628 ( 1.437 -10.137 -7.590) 12.745 5.181 ( 8.284 1.618 -3.798) 9.256 6.799 ( -1.688 1.439 1.653) 2.766 6.896 ( 1.164 5.514 1.891) 5.944 8.129 ( -1.841 -3.560 4.153) 5.772 8.296 ( 0.946 2.264 2.619) 3.589 8.711 ( 6.342 4.624 -0.074) 7.849 8.839 ( -5.168 6.052 -5.030) 9.415 9.652 ( -0.266 -11.991 -0.109) 11.994 9.946 ( -2.203 -10.894 0.888) 11.150 12.264 ( -10.166 0.154 4.459) 11.102 12.827 ( 18.537 6.328 -7.835) 21.096 13.118 ( 4.989 24.508 6.755) 25.907 13.473 ( -11.931 22.839 -8.472) 27.125 14.643 ( 1.536 -17.463 10.602) 20.487 15.209 ( 0.112 -0.967 4.453) 4.558 15.884 ( -3.456 3.737 4.089) 6.529 16.283 ( 1.198 -15.317 -3.291) 15.712 16.878 ( 3.757 -8.901 -0.560) 9.677 17.364 ( -2.418 6.394 -4.602) 8.241 17.729 ( 0.415 -0.351 -1.462) 1.559 18.013 ( -0.999 -0.679 1.814) 2.179 ======================= Grid point 426 (202/226) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -2.147 9.637 4.017) 10.659 2.316 ( 10.869 6.610 4.120) 13.371 2.510 ( -2.952 1.104 -3.189) 4.484 2.761 ( 1.354 0.640 6.152) 6.332 3.056 ( -1.814 1.827 -13.660) 13.901 3.594 ( 3.376 2.846 5.307) 6.903 4.107 ( -7.041 -17.278 3.937) 19.068 4.344 ( -7.248 -0.223 10.299) 12.595 4.518 ( 3.502 -7.883 -6.882) 11.035 5.299 ( 4.333 6.340 -5.300) 9.331 6.819 ( 0.910 0.329 2.525) 2.704 6.971 ( 1.807 3.565 0.266) 4.005 8.085 ( -2.722 -2.396 3.719) 5.194 8.314 ( -1.426 0.325 0.902) 1.718 8.810 ( 0.104 3.253 -6.897) 7.627 8.835 ( 1.855 3.315 2.712) 4.668 9.501 ( -4.206 -10.219 0.227) 11.053 9.840 ( -0.012 -7.560 2.380) 7.926 12.194 ( -0.790 -1.184 4.306) 4.536 13.176 ( 17.553 8.552 -9.908) 21.895 13.271 ( -10.250 17.992 -4.417) 21.173 13.638 ( 5.634 22.825 4.853) 24.005 14.576 ( 2.362 -14.305 9.868) 17.538 15.181 ( -4.380 -0.368 1.032) 4.515 15.812 ( -4.472 -12.369 -2.902) 13.469 16.122 ( -6.168 -1.107 3.678) 7.266 16.873 ( 5.714 -8.320 -2.642) 10.433 17.373 ( -0.832 5.762 -2.100) 6.189 17.726 ( 0.549 -0.168 -1.456) 1.565 18.002 ( -0.696 -1.048 2.114) 2.460 ======================= Grid point 427 (203/226) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 0.624 6.407 4.059) 7.610 2.406 ( -4.317 6.191 -0.202) 7.550 2.574 ( 10.659 -0.778 -6.819) 12.678 2.857 ( 3.150 1.911 6.826) 7.757 2.953 ( -4.399 -0.976 -3.097) 5.468 3.691 ( 0.736 -1.336 1.039) 1.845 3.817 ( -9.375 -11.902 2.892) 15.424 4.267 ( -3.923 -0.565 -1.647) 4.292 4.540 ( 6.863 -5.881 3.975) 9.873 5.397 ( 2.414 11.666 -6.827) 13.731 6.827 ( -2.381 -1.564 2.594) 3.852 7.034 ( 4.485 -0.394 -1.011) 4.614 8.048 ( -2.952 0.436 3.717) 4.767 8.280 ( -2.150 -1.346 1.012) 2.731 8.768 ( -0.130 -6.100 -6.000) 8.557 8.883 ( -1.133 4.658 2.311) 5.322 9.344 ( -4.326 -7.651 0.368) 8.797 9.847 ( 2.542 0.559 2.517) 3.620 12.257 ( 6.695 -2.864 5.205) 8.951 13.123 ( -14.934 15.339 -10.094) 23.669 13.518 ( 16.089 2.169 -3.623) 16.634 13.926 ( 2.620 12.993 4.487) 13.994 14.627 ( 7.126 -4.965 14.116) 16.574 15.061 ( -6.727 -0.566 -10.587) 12.556 15.515 ( -8.413 -16.904 -1.026) 18.909 16.110 ( -4.937 5.618 8.774) 11.529 16.864 ( 5.202 -5.691 -8.087) 11.174 17.419 ( 0.856 4.099 1.143) 4.341 17.726 ( 0.575 0.356 -1.665) 1.797 17.996 ( -0.607 -0.760 2.098) 2.313 ======================= Grid point 428 (204/226) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -0.588 0.223 3.903) 3.954 2.435 ( -2.360 12.589 -0.469) 12.817 2.663 ( 5.996 -1.926 -4.717) 7.868 2.803 ( -4.718 -4.635 -3.482) 7.474 3.018 ( 5.222 1.839 5.964) 8.137 3.496 ( -10.170 -8.263 3.956) 13.688 3.740 ( -0.152 -3.725 -0.778) 3.808 4.206 ( -0.549 0.133 -4.594) 4.629 4.635 ( 7.229 -5.445 3.975) 9.884 5.531 ( 2.392 16.156 -6.976) 17.760 6.729 ( -7.605 -3.798 2.551) 8.875 7.090 ( 5.337 -4.059 -1.838) 6.953 8.044 ( -2.229 3.049 3.286) 5.006 8.243 ( -1.584 -2.436 2.946) 4.138 8.643 ( -0.954 -9.566 -3.274) 10.155 8.923 ( -0.256 3.960 0.855) 4.059 9.226 ( -2.284 -5.252 -0.426) 5.743 9.928 ( 1.037 6.050 1.102) 6.236 12.388 ( 7.973 -4.878 5.117) 10.656 12.967 ( -9.333 8.695 -8.094) 15.106 13.676 ( 1.528 1.218 1.664) 2.567 14.082 ( 4.986 6.064 2.104) 8.128 14.669 ( -3.735 -17.425 -3.510) 18.163 14.988 ( 5.227 11.401 -0.408) 12.549 15.274 ( -6.517 -10.805 5.306) 13.688 16.143 ( -4.149 5.661 9.112) 11.502 16.841 ( 4.304 -1.912 -13.543) 14.339 17.488 ( 1.608 2.622 3.853) 4.930 17.730 ( 0.510 0.953 -2.280) 2.523 17.990 ( -0.984 -0.454 1.670) 1.991 ======================= Grid point 435 (205/226) ======================= q-point: ( 0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -3.952 12.224 12.008) 17.585 2.260 ( -1.813 1.314 12.500) 12.699 2.578 ( -0.003 -3.936 -1.711) 4.292 2.808 ( -4.982 2.524 -7.047) 8.992 3.248 ( -0.597 5.531 -15.266) 16.248 3.707 ( -6.378 4.366 -0.501) 7.746 4.039 ( 3.293 -8.321 9.724) 13.215 4.363 ( 15.429 -5.740 -3.433) 16.816 4.712 ( -2.447 -1.810 -2.569) 3.983 5.017 ( -3.593 -2.269 5.390) 6.864 6.853 ( 2.899 4.222 2.118) 5.542 6.942 ( -6.125 -0.050 0.322) 6.134 8.119 ( 2.949 -1.950 3.481) 4.961 8.233 ( 1.784 1.069 4.249) 4.731 8.604 ( -0.888 1.448 1.544) 2.296 8.987 ( -0.842 -0.122 -3.711) 3.808 9.508 ( 6.930 -8.296 -0.387) 10.817 10.010 ( -1.031 -0.841 -5.773) 5.924 12.435 ( 2.142 -0.562 -7.498) 7.818 12.831 ( -7.490 13.850 6.251) 16.941 12.989 ( -9.973 5.210 8.894) 14.342 13.837 ( -7.146 14.339 -3.092) 16.317 14.668 ( -3.742 -9.880 10.682) 15.024 15.039 ( 7.431 -0.520 1.135) 7.536 15.812 ( 18.177 -12.341 -2.659) 22.131 16.121 ( -2.898 5.276 6.517) 8.871 16.873 ( -1.927 -9.538 -5.037) 10.957 17.442 ( -2.251 5.983 -4.891) 8.049 17.724 ( -0.159 -0.814 -1.225) 1.480 18.030 ( 0.386 0.364 0.604) 0.804 ======================= Grid point 436 (206/226) ======================= q-point: ( 0.45 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 1.959 13.928 7.412) 15.898 2.284 ( -3.585 0.687 8.585) 9.328 2.588 ( 5.955 -0.492 -1.499) 6.160 2.716 ( -6.330 3.633 -0.699) 7.332 3.153 ( -3.497 2.759 -15.839) 16.453 3.652 ( -4.825 2.632 2.203) 5.921 4.047 ( 5.152 -14.024 5.717) 15.997 4.423 ( 4.887 -11.461 -5.477) 13.610 4.666 ( -4.916 3.820 2.920) 6.876 5.048 ( 4.545 1.402 3.653) 5.998 6.851 ( -3.615 -1.016 -0.382) 3.774 6.960 ( 0.863 6.500 2.865) 7.156 8.120 ( 0.354 -4.302 1.843) 4.694 8.303 ( 1.774 1.836 0.972) 2.732 8.675 ( 3.801 4.121 2.925) 6.323 8.927 ( -3.242 1.301 -4.699) 5.855 9.508 ( 4.082 -10.177 -0.150) 10.966 9.905 ( -3.730 -6.236 -1.817) 7.490 12.541 ( 0.592 7.522 -2.298) 7.887 12.584 ( -6.841 -1.441 -0.025) 6.991 13.288 ( 6.951 23.289 7.865) 25.545 13.813 ( -9.451 15.844 -7.105) 19.769 14.578 ( -3.411 -10.139 11.587) 15.770 15.134 ( 6.405 -3.673 -1.014) 7.452 15.966 ( 14.996 -12.256 -2.359) 19.510 16.057 ( -9.817 0.641 0.487) 9.850 16.779 ( 0.869 -7.713 3.202) 8.397 17.428 ( -2.059 5.421 -4.980) 7.644 17.712 ( 0.177 -0.644 -0.582) 0.886 18.027 ( -0.554 -0.726 0.299) 0.961 ======================= Grid point 437 (207/226) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 2.516 5.894 -6.910) 9.424 2.316 ( 0.485 0.568 7.448) 7.486 2.632 ( -4.952 5.835 -2.328) 7.999 2.766 ( 5.006 2.684 11.482) 12.811 3.031 ( -2.302 1.972 -12.673) 13.030 3.633 ( -1.449 1.137 3.430) 3.893 4.005 ( 2.654 -15.715 4.690) 16.614 4.322 ( 1.423 -8.692 -8.259) 12.074 4.610 ( -10.682 4.598 9.455) 14.988 5.202 ( 8.886 4.415 -2.595) 10.256 6.797 ( -0.205 -3.480 0.264) 3.496 7.030 ( -1.432 5.746 1.643) 6.146 8.097 ( 0.346 -2.897 1.208) 3.158 8.327 ( -0.003 0.436 -1.603) 1.661 8.768 ( 0.433 2.065 -2.592) 3.342 8.888 ( 0.362 1.656 -0.307) 1.723 9.452 ( -0.107 -8.038 -0.041) 8.039 9.795 ( -1.277 -6.373 3.682) 7.470 12.338 ( -12.343 1.249 5.262) 13.476 12.853 ( 19.389 7.588 -9.051) 22.703 13.574 ( -4.582 12.324 -0.819) 13.174 13.818 ( -0.742 22.016 -3.203) 22.260 14.521 ( -1.613 -7.293 13.461) 15.394 15.168 ( 3.061 -4.103 -2.005) 5.498 15.758 ( -8.199 -15.965 -10.725) 20.907 16.131 ( 6.638 1.521 3.563) 7.686 16.752 ( -0.026 -6.801 5.503) 8.749 17.427 ( -0.978 5.129 -3.017) 6.030 17.710 ( 0.341 -0.324 -0.231) 0.524 18.012 ( -0.421 -1.011 0.917) 1.428 ======================= Grid point 438 (208/226) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 5.885 4.542 -6.232) 9.701 2.366 ( 3.730 -0.338 -1.305) 3.966 2.603 ( -5.162 7.470 0.983) 9.133 2.844 ( -0.466 -4.522 -0.078) 4.546 3.020 ( -0.054 4.195 5.138) 6.633 3.657 ( 2.018 -2.634 2.447) 4.123 3.878 ( -5.738 -11.673 5.635) 14.175 4.234 ( 1.050 -3.667 -7.590) 8.494 4.551 ( -6.384 2.569 8.411) 10.868 5.375 ( 7.444 9.410 -6.142) 13.479 6.772 ( 2.896 -8.156 0.848) 8.696 7.040 ( -2.985 3.402 0.032) 4.526 8.100 ( 0.444 0.813 1.539) 1.796 8.295 ( -1.609 -1.217 -2.385) 3.124 8.707 ( -2.864 -3.030 -5.325) 6.763 8.919 ( 0.899 -0.134 0.176) 0.926 9.356 ( -3.816 -4.809 0.198) 6.143 9.824 ( 4.116 -0.522 8.169) 9.162 12.253 ( -3.391 1.266 4.936) 6.121 13.193 ( 18.536 4.690 -7.089) 20.392 13.433 ( -12.327 6.244 -9.892) 16.994 14.051 ( 1.170 16.241 0.602) 16.294 14.586 ( 3.974 -2.999 17.810) 18.493 15.100 ( -5.518 -1.695 -9.492) 11.109 15.402 ( -4.211 -17.719 -9.863) 20.712 16.272 ( 2.271 5.713 6.571) 8.999 16.702 ( 0.140 -7.422 0.652) 7.452 17.459 ( 0.245 4.415 0.376) 4.438 17.713 ( 0.399 0.148 -0.420) 0.597 18.008 ( -0.081 -0.552 1.532) 1.631 ======================= Grid point 439 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 2.247 2.148 0.961) 3.254 2.444 ( 7.679 2.741 -8.807) 12.002 2.627 ( -1.769 8.525 1.671) 8.866 2.749 ( -0.827 -7.363 -4.374) 8.605 3.072 ( -2.224 0.298 9.054) 9.328 3.619 ( -5.422 -8.197 4.599) 10.851 3.720 ( -4.618 -3.102 2.936) 6.290 4.191 ( -0.188 0.299 -4.000) 4.016 4.554 ( 0.480 -0.744 4.673) 4.756 5.566 ( 6.594 15.026 -7.203) 17.921 6.721 ( 1.630 -12.827 0.913) 12.962 7.012 ( -1.687 0.460 -0.996) 2.013 8.133 ( -1.675 4.390 0.683) 4.749 8.249 ( 0.363 -2.041 0.066) 2.074 8.566 ( -4.033 -8.082 -3.572) 9.713 8.926 ( 1.289 0.102 -2.528) 2.840 9.255 ( -4.400 -2.132 1.260) 5.049 9.971 ( 3.840 4.433 7.903) 9.841 12.294 ( 3.220 -0.240 5.355) 6.254 13.145 ( -11.650 0.485 -10.290) 15.551 13.533 ( 14.704 3.883 -3.372) 15.577 14.166 ( -1.817 11.524 1.360) 11.745 14.585 ( -7.599 -17.999 0.435) 19.542 15.004 ( 3.950 10.169 -3.430) 11.436 15.205 ( -0.012 -13.306 -2.381) 13.517 16.378 ( -5.433 8.314 12.103) 15.656 16.644 ( 4.917 -5.993 -9.058) 11.923 17.521 ( 1.030 3.419 3.588) 5.062 17.719 ( 0.382 0.692 -1.260) 1.487 18.012 ( -0.516 -0.020 1.514) 1.600 ======================= Grid point 446 (210/226) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -3.174 10.573 9.191) 14.364 2.325 ( 0.479 1.557 4.616) 4.895 2.612 ( -6.188 -1.146 1.712) 6.522 2.808 ( 1.776 -3.569 -1.013) 4.113 3.206 ( 0.144 2.680 -11.896) 12.195 3.707 ( 5.686 -1.854 -2.513) 6.487 3.986 ( 2.889 -10.285 -4.860) 11.736 4.126 ( 2.614 3.204 2.820) 5.005 4.680 ( -2.845 -5.723 -5.369) 8.347 5.224 ( -8.747 9.490 9.865) 16.245 6.777 ( 9.765 -0.948 0.450) 9.821 7.036 ( -5.571 -1.694 0.330) 5.832 8.097 ( 1.335 2.073 2.397) 3.439 8.231 ( 1.828 -0.728 4.495) 4.907 8.631 ( -1.036 -2.994 2.217) 3.866 8.925 ( 3.765 -2.252 -0.491) 4.414 9.356 ( 2.896 -5.000 0.039) 5.778 9.998 ( -0.867 4.116 -10.258) 11.087 12.366 ( -1.673 -2.726 -7.368) 8.033 13.065 ( 2.989 19.234 6.569) 20.543 13.243 ( -10.750 -6.792 10.550) 16.523 14.051 ( -9.360 8.297 0.898) 12.540 14.786 ( -6.562 -4.921 16.633) 18.545 14.881 ( 7.105 -3.131 -7.278) 10.642 15.354 ( 19.206 -8.772 -3.473) 21.398 16.272 ( -0.411 9.046 6.315) 11.040 16.783 ( -3.251 -9.529 -8.252) 13.018 17.501 ( -2.098 4.472 -3.935) 6.315 17.716 ( -0.467 -0.605 -0.689) 1.030 18.024 ( 0.665 0.364 -0.169) 0.777 ======================= Grid point 447 (211/226) ======================= q-point: ( 0.45 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -2.088 12.042 6.785) 13.979 2.358 ( -2.027 -0.524 4.529) 4.989 2.530 ( 0.167 2.410 -1.172) 2.685 2.804 ( -0.589 -1.330 3.680) 3.957 3.124 ( -2.100 0.184 -13.481) 13.645 3.724 ( -0.741 0.645 -2.780) 2.948 3.863 ( 2.241 -14.919 -0.565) 15.097 4.225 ( 5.036 -5.345 0.528) 7.363 4.640 ( 5.878 1.646 -5.301) 8.085 5.225 ( -10.153 8.729 11.594) 17.712 6.869 ( -0.123 -3.145 -1.848) 3.650 6.998 ( 2.309 3.688 2.753) 5.149 8.091 ( -1.222 -2.085 -0.387) 2.448 8.285 ( 2.072 0.131 0.492) 2.134 8.663 ( 4.117 -0.687 4.822) 6.377 8.926 ( -0.565 -1.218 -2.299) 2.663 9.349 ( 3.860 -7.584 -0.245) 8.514 9.928 ( -4.311 0.769 -5.857) 7.313 12.379 ( 7.582 4.266 -7.918) 11.764 12.940 ( -18.853 -4.324 9.446) 21.526 13.430 ( 6.272 20.077 5.762) 21.809 13.985 ( -5.778 4.517 -1.641) 7.516 14.725 ( -8.388 -0.568 14.479) 16.743 14.933 ( 9.106 -3.637 -9.533) 13.675 15.546 ( 16.844 -11.888 -2.716) 20.795 16.243 ( -10.424 2.510 -4.018) 11.450 16.712 ( 3.692 -4.991 6.531) 9.011 17.478 ( -2.107 4.061 -4.809) 6.637 17.707 ( -0.162 -0.240 0.453) 0.538 18.023 ( -0.104 -0.700 -0.859) 1.113 ======================= Grid point 448 (212/226) ======================= q-point: ( 0.55 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -6.726 6.280 -3.958) 10.017 2.328 ( -0.328 -1.860 1.134) 2.203 2.678 ( 5.187 5.362 3.980) 8.456 2.815 ( -0.509 -0.710 7.570) 7.621 3.017 ( -1.696 3.089 -10.358) 10.941 3.649 ( -0.914 -8.883 0.347) 8.937 3.826 ( 4.749 -7.228 0.663) 8.674 4.212 ( 0.718 -3.742 -1.501) 4.095 4.762 ( 4.611 3.659 -1.858) 6.172 5.213 ( -6.236 7.487 7.846) 12.510 6.775 ( -2.739 -6.143 -1.398) 6.869 7.104 ( 1.140 5.045 2.029) 5.556 8.051 ( 0.616 -2.328 -1.982) 3.118 8.302 ( 1.338 -0.731 -2.681) 3.084 8.769 ( 4.282 -0.831 4.085) 5.976 8.868 ( -2.312 -0.431 -4.321) 4.920 9.346 ( 4.112 -6.583 0.391) 7.771 9.829 ( -4.727 -0.672 1.328) 4.956 12.545 ( 6.328 1.001 -3.695) 7.396 12.690 ( -9.457 6.227 2.764) 11.656 13.667 ( 0.760 4.372 -0.334) 4.450 13.975 ( 0.092 12.637 -1.541) 12.731 14.685 ( -8.316 3.549 13.967) 16.638 14.995 ( 8.922 -4.519 -6.827) 12.109 15.564 ( 3.612 -16.807 -11.822) 20.863 16.096 ( -1.643 1.486 -2.786) 3.560 16.781 ( -0.459 -2.134 12.417) 12.607 17.464 ( -0.717 4.085 -3.983) 5.751 17.709 ( -0.142 0.061 1.184) 1.194 18.006 ( -0.018 -1.078 -0.497) 1.187 ======================= Grid point 449 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -0.205 6.418 -6.453) 9.104 2.321 ( 1.353 -0.983 -1.036) 1.967 2.737 ( -2.519 3.825 0.856) 4.659 2.790 ( -0.972 -7.814 -0.929) 7.928 3.082 ( 2.445 6.623 5.107) 8.713 3.577 ( 2.495 -9.417 1.115) 9.806 3.838 ( 2.057 -6.294 4.369) 7.933 4.192 ( -0.682 2.146 -1.870) 2.926 4.768 ( -7.558 2.876 3.012) 8.630 5.305 ( 5.371 8.426 -0.557) 10.008 6.658 ( -0.726 -10.295 -1.234) 10.394 7.136 ( -3.184 3.411 0.886) 4.750 8.058 ( 3.609 -0.557 -2.207) 4.267 8.281 ( -0.261 -1.208 -4.305) 4.479 8.742 ( -5.702 -0.671 -2.695) 6.342 8.855 ( 3.663 -3.525 -0.844) 5.153 9.352 ( 0.897 -2.446 -0.577) 2.669 9.824 ( 1.378 0.295 9.626) 9.728 12.426 ( -10.504 0.637 5.522) 11.884 12.907 ( 16.293 8.182 -6.582) 19.384 13.548 ( -7.522 -4.508 -7.714) 11.680 14.169 ( 3.889 15.025 -2.242) 15.681 14.690 ( -5.377 0.706 16.504) 17.372 15.047 ( 5.184 -4.429 -2.676) 7.324 15.243 ( -7.325 -13.932 -21.673) 26.786 16.187 ( 9.496 1.313 -0.949) 9.633 16.781 ( -6.587 -1.476 12.557) 14.256 17.489 ( 0.948 3.934 -1.008) 4.171 17.715 ( -0.226 0.300 1.166) 1.225 18.003 ( 0.724 -0.662 0.313) 1.030 ======================= Grid point 450 (214/226) ======================= q-point: (-0.27 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 6.384 7.273 -6.208) 11.498 2.345 ( 2.780 -0.335 -1.464) 3.160 2.665 ( -1.807 -8.532 -4.634) 9.876 2.735 ( -2.020 2.620 2.079) 3.907 3.162 ( -1.991 0.586 6.872) 7.179 3.552 ( 2.398 -6.432 0.039) 6.865 3.829 ( -2.617 -2.394 8.213) 8.946 4.200 ( -1.231 4.169 -0.981) 4.456 4.662 ( -8.455 1.380 3.373) 9.207 5.512 ( 9.847 10.371 -4.236) 14.915 6.540 ( 1.472 -14.187 -1.517) 14.343 7.089 ( -5.014 1.331 0.180) 5.191 8.127 ( 5.931 0.196 -2.143) 6.309 8.218 ( -2.287 -1.735 -4.508) 5.344 8.603 ( -7.317 -2.275 -1.022) 7.731 8.870 ( 2.433 -1.171 -2.724) 3.835 9.314 ( -2.917 -0.291 -0.414) 2.961 9.976 ( 6.033 1.811 12.167) 13.701 12.349 ( -4.359 1.952 5.270) 7.113 13.153 ( 5.387 -2.248 -5.490) 8.013 13.366 ( 1.816 3.654 -9.427) 10.272 14.304 ( -0.186 8.956 -1.506) 9.083 14.568 ( -10.470 -18.244 1.097) 21.064 15.005 ( 1.865 7.496 -9.962) 12.605 15.054 ( 2.042 -8.013 -1.496) 8.403 16.368 ( 11.388 1.755 -4.677) 12.435 16.703 ( -10.492 0.436 13.087) 16.779 17.552 ( 1.634 3.437 2.476) 4.540 17.720 ( -0.271 0.507 0.241) 0.623 18.017 ( 0.759 -0.045 0.633) 0.989 ======================= Grid point 534 (215/226) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 0.000 17.728) 17.728 1.506 ( 0.000 -0.000 17.728) 17.728 2.667 ( 0.000 -0.000 1.824) 1.824 3.043 ( -0.000 0.000 -14.871) 14.871 3.043 ( -0.000 0.000 -14.871) 14.871 3.362 ( 0.000 -0.000 22.767) 22.767 4.309 ( -0.000 0.000 -0.273) 0.273 4.772 ( 0.000 0.000 3.792) 3.792 4.772 ( 0.000 0.000 3.792) 3.792 5.277 ( -0.000 0.000 -15.434) 15.434 6.744 ( 0.000 0.000 1.905) 1.905 6.744 ( 0.000 0.000 1.905) 1.905 8.188 ( 0.000 -0.000 5.494) 5.494 8.188 ( 0.000 -0.000 5.494) 5.494 8.644 ( -0.000 0.000 -2.818) 2.818 8.644 ( -0.000 0.000 -2.818) 2.818 9.957 ( 0.000 -0.000 0.549) 0.549 10.240 ( -0.000 0.000 -1.152) 1.152 12.352 ( 0.000 0.000 6.798) 6.798 12.352 ( 0.000 -0.000 6.798) 6.798 12.860 ( -0.000 0.000 -7.694) 7.694 12.860 ( -0.000 0.000 -7.694) 7.694 15.092 ( 0.000 0.000 10.782) 10.782 15.092 ( 0.000 -0.000 10.782) 10.782 15.711 ( 0.000 -0.000 1.110) 1.110 16.725 ( 0.000 -0.000 0.450) 0.450 17.154 ( -0.000 0.000 -5.948) 5.948 17.154 ( -0.000 0.000 -5.948) 5.948 17.731 ( -0.000 0.000 -0.216) 0.216 18.007 ( 0.000 -0.000 2.836) 2.836 ======================= Grid point 535 (216/226) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.394 5.504 16.302) 17.211 1.892 ( 19.274 7.836 13.447) 24.773 2.648 ( -0.493 -1.911 -2.571) 3.241 2.806 ( -8.546 -1.878 -8.628) 12.288 3.072 ( 5.649 0.791 -15.621) 16.630 3.520 ( 2.901 0.393 16.518) 16.776 4.287 ( -3.815 -0.624 5.172) 6.457 4.690 ( -4.074 -9.683 3.563) 11.093 4.767 ( -4.812 0.564 -1.947) 5.221 5.158 ( -3.421 1.949 -10.687) 11.389 6.757 ( 1.682 -0.500 2.483) 3.041 6.814 ( 3.609 3.477 0.658) 5.055 8.193 ( -0.659 -3.553 4.989) 6.160 8.242 ( -0.344 2.468 4.925) 5.520 8.579 ( -1.723 1.347 -0.678) 2.290 8.766 ( 9.376 3.486 -5.325) 11.332 9.865 ( -7.978 -4.572 0.071) 9.195 10.157 ( -5.467 -4.263 -0.814) 6.980 12.340 ( 5.156 -4.840 7.146) 10.053 12.569 ( 2.020 6.290 0.136) 6.608 12.746 ( 0.359 12.270 -0.478) 12.285 13.104 ( 21.123 3.576 -8.657) 23.107 15.061 ( -11.621 4.194 8.944) 15.253 15.099 ( 0.046 -10.373 7.237) 12.648 15.806 ( 6.887 3.244 2.644) 8.059 16.540 ( -14.996 -8.917 -0.137) 17.447 17.096 ( -5.427 4.177 -5.045) 8.506 17.194 ( 8.097 -1.748 -4.093) 9.240 17.732 ( 0.141 0.212 -0.784) 0.824 18.023 ( 0.126 -0.351 2.181) 2.212 ======================= Grid point 536 (217/226) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 4.627 7.146 12.844) 15.409 2.308 ( 7.741 4.634 14.187) 16.813 2.590 ( 2.669 0.276 -14.560) 14.805 2.705 ( 0.917 1.827 3.634) 4.170 3.054 ( 3.926 -1.575 -15.159) 15.739 3.645 ( 4.044 0.481 4.112) 5.787 4.232 ( -7.464 -2.058 11.410) 13.789 4.439 ( -11.726 -13.319 -2.040) 17.862 4.716 ( 0.786 0.215 -2.808) 2.924 5.102 ( -2.591 5.629 -3.316) 7.028 6.801 ( 1.895 -0.939 2.086) 2.971 6.927 ( 4.661 4.826 -0.090) 6.710 8.152 ( -2.505 -4.835 3.891) 6.693 8.270 ( -1.255 1.239 3.287) 3.730 8.611 ( 1.055 4.241 2.685) 5.129 8.905 ( 6.926 1.736 -5.839) 9.224 9.650 ( -10.403 -5.995 -0.067) 12.007 10.008 ( -4.757 -5.250 -2.752) 7.600 12.471 ( 6.417 -1.992 4.897) 8.314 12.533 ( 0.797 1.506 -5.308) 5.575 13.086 ( 8.996 23.036 9.240) 26.400 13.465 ( 23.482 1.969 -7.131) 24.620 14.883 ( -10.183 -3.344 -0.200) 10.720 15.078 ( -2.450 -2.718 9.619) 10.291 15.954 ( 1.700 1.514 1.164) 2.557 16.147 ( -15.886 -12.458 3.042) 20.416 16.997 ( -5.754 2.426 -6.192) 8.794 17.300 ( 7.046 0.425 -1.995) 7.335 17.727 ( -0.213 0.231 -1.178) 1.219 18.027 ( -0.112 -0.924 1.219) 1.533 ======================= Grid point 537 (218/226) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 5.634 4.947 9.314) 11.957 2.355 ( -3.093 -2.445 4.393) 5.902 2.640 ( 2.956 7.046 -2.665) 8.092 2.846 ( 2.933 2.563 5.112) 6.427 3.007 ( 6.564 -3.886 -13.510) 15.515 3.699 ( 0.447 0.397 -3.968) 4.012 4.072 ( -9.850 -15.043 -0.640) 17.993 4.183 ( -6.272 1.430 5.442) 8.426 4.738 ( 0.575 4.327 -3.521) 5.608 5.152 ( 4.220 3.318 1.887) 5.691 6.793 ( -2.656 -2.906 0.875) 4.033 7.047 ( 3.883 5.163 -0.379) 6.471 8.085 ( -1.908 -4.294 2.703) 5.420 8.276 ( -1.046 0.053 3.693) 3.839 8.695 ( 0.439 4.953 3.896) 6.317 8.929 ( 0.042 -2.718 -3.326) 4.295 9.449 ( -7.171 -4.015 0.272) 8.223 9.889 ( -0.891 -3.417 -6.630) 7.512 12.454 ( -6.345 11.440 -7.021) 14.847 12.698 ( 16.980 -11.878 7.377) 21.996 13.463 ( 1.952 17.590 9.451) 20.063 13.817 ( 20.052 3.511 -1.431) 20.408 14.728 ( -1.483 -1.150 -7.823) 8.044 15.075 ( -2.756 -0.622 8.538) 8.993 15.605 ( -24.836 -9.781 4.187) 27.019 16.132 ( 6.819 -5.235 3.454) 9.265 16.886 ( -5.226 3.287 -8.832) 10.776 17.402 ( 5.306 0.931 -0.408) 5.402 17.719 ( -0.165 0.344 -1.181) 1.241 18.018 ( -0.352 -1.072 0.366) 1.186 ======================= Grid point 546 (219/226) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 10.572 10.547 13.655) 20.235 1.872 ( -9.522 13.588 8.986) 18.869 2.629 ( -1.259 -3.253 -1.772) 3.913 2.782 ( 3.330 -4.757 -5.631) 8.089 2.967 ( -2.547 4.097 -14.277) 15.070 3.597 ( -0.821 -0.640 12.019) 12.064 4.345 ( 1.481 0.235 8.030) 8.169 4.666 ( -3.582 -11.108 1.373) 11.752 4.769 ( -0.353 -6.618 -2.604) 7.121 5.108 ( 3.446 1.963 -9.154) 9.976 6.775 ( -1.561 1.684 1.805) 2.921 6.809 ( 1.478 3.934 0.762) 4.271 8.218 ( -1.997 -2.667 4.533) 5.625 8.277 ( 1.641 1.524 3.401) 4.072 8.622 ( 4.225 3.872 -0.358) 5.742 8.690 ( -3.920 5.661 -4.932) 8.469 9.866 ( 0.019 -9.235 0.026) 9.235 10.143 ( -0.673 -8.341 -0.110) 8.369 12.327 ( -5.737 -3.441 6.883) 9.598 12.676 ( 8.281 6.517 -9.322) 14.069 12.739 ( 6.086 14.966 8.698) 18.349 13.022 ( -8.189 17.888 -8.582) 21.464 15.016 ( 1.175 -14.628 8.190) 16.806 15.235 ( -0.692 0.752 4.069) 4.195 15.804 ( -0.688 6.382 2.441) 6.867 16.566 ( -0.281 -14.150 -1.077) 14.194 17.017 ( 2.964 -6.013 -1.837) 6.951 17.202 ( -2.238 7.432 -4.319) 8.882 17.727 ( 0.084 -0.149 -0.564) 0.590 18.033 ( -0.252 -0.288 1.654) 1.698 ======================= Grid point 547 (220/226) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -2.448 11.938 4.792) 13.095 2.194 ( 16.759 11.181 6.274) 21.101 2.529 ( -4.184 -4.409 -2.323) 6.507 2.777 ( -1.195 1.553 4.887) 5.265 2.907 ( 2.474 2.011 -14.654) 14.997 3.630 ( 0.592 -1.854 5.485) 5.821 4.400 ( -7.146 -0.831 8.659) 11.257 4.455 ( -5.068 -13.702 3.262) 14.969 4.639 ( 0.802 -8.090 -4.948) 9.517 5.142 ( 0.858 5.512 -7.190) 9.100 6.803 ( 0.597 2.094 2.416) 3.253 6.892 ( 3.599 4.278 -0.721) 5.637 8.175 ( -2.509 -4.029 3.963) 6.183 8.309 ( -0.434 0.739 0.669) 1.087 8.677 ( -0.960 6.339 -0.775) 6.458 8.771 ( 7.051 4.137 -2.307) 8.494 9.710 ( -6.081 -10.598 -0.026) 12.219 10.014 ( -4.085 -8.776 0.727) 9.708 12.296 ( 3.415 -6.083 6.726) 9.690 12.765 ( -8.548 19.284 -9.307) 23.055 13.069 ( 19.176 5.905 -4.877) 20.648 13.220 ( 8.848 23.935 5.629) 26.132 14.898 ( -3.074 -14.276 3.255) 14.961 15.192 ( -5.215 -0.095 2.564) 5.812 15.913 ( 4.537 3.207 3.169) 6.397 16.294 ( -12.939 -15.067 -0.234) 19.861 16.986 ( 0.790 -5.563 -4.603) 7.264 17.249 ( 1.871 6.198 -0.071) 6.475 17.723 ( 0.026 -0.217 -0.759) 0.790 18.031 ( -0.385 -0.810 1.289) 1.570 ======================= Grid point 548 (221/226) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 1.806 9.922 3.515) 10.680 2.406 ( -4.200 -2.746 -2.078) 5.431 2.532 ( 12.752 3.111 -1.127) 13.174 2.823 ( 1.504 3.219 -2.338) 4.253 2.917 ( 0.750 2.980 2.748) 4.123 3.669 ( 2.249 1.536 -0.187) 2.730 4.108 ( -12.061 -15.303 0.127) 19.485 4.329 ( -8.561 -3.934 4.790) 10.569 4.666 ( 7.356 -3.336 1.470) 8.210 5.157 ( 0.011 7.000 -7.437) 10.213 6.831 ( -1.765 1.412 1.790) 2.883 7.000 ( 5.625 3.176 -1.445) 6.619 8.109 ( -3.254 -3.741 2.927) 5.758 8.303 ( -0.549 -0.306 0.870) 1.073 8.739 ( 2.579 3.872 -1.805) 4.990 8.866 ( 1.563 0.555 0.185) 1.669 9.506 ( -6.578 -8.578 0.141) 10.811 9.884 ( -3.889 -3.625 0.164) 5.319 12.401 ( 11.304 -7.980 7.767) 15.867 12.712 ( -11.767 19.010 -8.812) 24.031 13.428 ( 21.037 3.791 -7.005) 22.494 13.657 ( 9.316 20.495 9.636) 24.489 14.725 ( -4.278 -4.552 -3.494) 7.158 15.110 ( -3.448 -5.665 1.296) 6.757 15.888 ( -13.147 -18.369 4.706) 23.074 16.038 ( -0.297 5.060 2.761) 5.772 16.893 ( -1.750 -2.952 -8.334) 9.013 17.356 ( 3.626 3.818 2.619) 5.880 17.716 ( -0.071 -0.042 -0.920) 0.924 18.022 ( -0.646 -0.811 0.936) 1.397 ======================= Grid point 557 (222/226) ======================= q-point: ( 0.45 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.377 9.504 11.811) 15.164 2.245 ( -12.233 10.595 4.245) 16.730 2.562 ( 4.269 -2.115 -7.305) 8.721 2.697 ( -0.815 -0.742 6.061) 6.160 2.977 ( -2.977 4.530 -14.486) 15.467 3.652 ( -0.901 -0.664 2.973) 3.176 4.318 ( 4.944 -7.727 10.359) 13.837 4.612 ( 5.479 -10.168 -3.544) 12.082 4.631 ( 0.746 -1.473 -5.532) 5.773 5.047 ( 0.032 0.699 1.606) 1.752 6.836 ( -2.010 2.199 -1.094) 3.174 6.862 ( -1.995 4.463 2.551) 5.514 8.213 ( 1.631 -3.972 0.550) 4.329 8.284 ( 0.575 1.175 2.934) 3.213 8.614 ( 0.921 3.668 3.430) 5.105 8.822 ( -6.329 6.074 -5.345) 10.272 9.711 ( 6.164 -10.403 -0.114) 12.092 10.035 ( 3.014 -7.666 -1.528) 8.377 12.420 ( 5.680 0.730 -5.290) 7.796 12.617 ( -14.770 2.425 4.910) 15.753 12.923 ( 1.795 17.432 9.241) 19.812 13.376 ( -14.929 21.790 -9.251) 27.987 14.880 ( 3.505 -14.066 5.488) 15.500 15.193 ( 5.024 -1.589 1.868) 5.591 15.939 ( -3.797 6.025 0.781) 7.165 16.298 ( 10.939 -16.141 -0.442) 19.503 16.930 ( 1.358 -6.616 0.893) 6.813 17.285 ( -2.853 6.519 -3.799) 8.066 17.719 ( 0.111 -0.445 -0.416) 0.619 18.039 ( 0.085 -0.352 0.417) 0.553 ======================= Grid point 558 (223/226) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 1.613 7.009 -7.145) 10.138 2.300 ( -1.376 13.464 13.776) 19.312 2.524 ( -1.359 -1.925 -6.538) 6.949 2.779 ( 4.694 2.140 7.348) 8.978 2.884 ( -3.173 3.878 -9.506) 10.746 3.646 ( -0.662 -1.082 3.147) 3.393 4.358 ( 4.221 -15.871 6.859) 17.797 4.447 ( -0.913 -7.448 -10.751) 13.110 4.616 ( -6.052 -1.225 7.396) 9.635 5.104 ( 3.444 3.591 -3.384) 6.017 6.819 ( 0.243 0.879 0.217) 0.937 6.919 ( -0.578 6.261 0.776) 6.335 8.181 ( -0.255 -4.623 1.001) 4.737 8.309 ( 0.375 0.535 -1.043) 1.231 8.683 ( 0.114 3.878 -4.257) 5.760 8.810 ( -0.047 7.411 3.338) 8.129 9.650 ( -0.157 -11.928 -0.108) 11.930 9.968 ( -0.108 -9.481 1.627) 9.620 12.372 ( -11.552 -1.013 7.205) 13.652 12.653 ( 17.890 6.904 -9.918) 21.589 13.224 ( -10.027 21.033 -1.305) 23.337 13.353 ( 3.745 24.133 0.488) 24.427 14.809 ( 0.085 -14.581 7.148) 16.239 15.212 ( 0.649 -2.610 -4.095) 4.899 15.941 ( -3.222 0.946 2.048) 3.933 16.220 ( 2.920 -15.732 -3.906) 16.471 16.905 ( 0.030 -6.258 3.496) 7.168 17.300 ( -0.361 6.579 -2.003) 6.887 17.716 ( 0.057 -0.405 0.010) 0.409 18.034 ( -0.109 -0.821 0.419) 0.928 ======================= Grid point 559 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 6.819 7.598 -10.968) 14.984 2.421 ( -0.590 -4.655 -1.946) 5.080 2.472 ( -1.860 7.370 5.442) 9.348 2.830 ( -0.948 4.882 -8.029) 9.444 2.976 ( 4.234 4.714 13.666) 15.063 3.666 ( 0.884 1.624 3.164) 3.665 4.156 ( -9.321 -12.604 -0.675) 15.691 4.355 ( 1.841 -13.284 -4.199) 14.053 4.584 ( -2.264 0.552 10.029) 10.296 5.161 ( 2.035 7.115 -8.962) 11.622 6.859 ( 2.826 -0.468 1.414) 3.194 6.959 ( -0.447 4.540 -1.267) 4.735 8.136 ( -1.494 -3.264 1.409) 3.856 8.297 ( -0.005 -0.534 -2.509) 2.566 8.678 ( 1.193 1.516 -6.331) 6.618 8.910 ( 0.161 3.507 4.503) 5.710 9.504 ( -3.931 -10.084 0.101) 10.824 9.908 ( -0.743 -4.205 4.962) 6.546 12.298 ( -0.432 -2.383 6.992) 7.400 12.985 ( 11.331 13.357 -10.110) 20.225 13.149 ( -4.506 12.892 -8.281) 15.971 13.750 ( 8.837 19.118 6.170) 21.946 14.722 ( -1.252 -5.958 4.624) 7.644 15.113 ( -4.685 -5.100 -6.536) 9.522 15.786 ( -2.816 -21.362 0.135) 21.547 16.179 ( -0.791 5.225 0.770) 5.340 16.834 ( -2.265 -6.275 -0.795) 6.718 17.374 ( 1.923 5.318 2.177) 6.060 17.713 ( -0.143 -0.207 0.001) 0.252 18.028 ( -0.166 -0.694 0.757) 1.040 ======================= Grid point 668 (225/226) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 0.000 0.000 8.522) 8.522 1.760 ( 0.000 -0.000 8.522) 8.522 2.659 ( -0.000 0.000 -0.855) 0.855 2.824 ( -0.000 0.000 -7.550) 7.550 2.824 ( -0.000 0.000 -7.550) 7.550 3.672 ( 0.000 -0.000 8.744) 8.744 4.377 ( 0.000 -0.000 6.272) 6.272 4.819 ( 0.000 0.000 1.340) 1.340 4.819 ( 0.000 0.000 1.340) 1.340 5.008 ( -0.000 0.000 -11.521) 11.521 6.769 ( 0.000 0.000 0.754) 0.754 6.769 ( 0.000 -0.000 0.754) 0.754 8.278 ( 0.000 0.000 3.404) 3.404 8.278 ( 0.000 -0.000 3.404) 3.404 8.589 ( -0.000 0.000 -2.391) 2.391 8.589 ( -0.000 -0.000 -2.391) 2.391 9.963 ( 0.000 -0.000 0.162) 0.162 10.226 ( -0.000 0.000 -0.398) 0.398 12.485 ( 0.000 0.000 6.835) 6.835 12.485 ( 0.000 0.000 6.835) 6.835 12.714 ( -0.000 0.000 -7.279) 7.279 12.714 ( -0.000 -0.000 -7.279) 7.279 15.237 ( 0.000 0.000 4.401) 4.401 15.237 ( 0.000 -0.000 4.401) 4.401 15.725 ( 0.000 -0.000 0.389) 0.389 16.731 ( 0.000 -0.000 0.177) 0.177 17.073 ( -0.000 -0.000 -2.541) 2.541 17.073 ( -0.000 0.000 -2.541) 2.541 17.727 ( -0.000 0.000 -0.135) 0.135 18.045 ( 0.000 -0.000 1.124) 1.124 ======================= Grid point 669 (226/226) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 2.537 3.185 8.323) 9.265 2.001 ( 16.577 8.027 -3.179) 18.691 2.603 ( -4.338 -2.766 -0.028) 5.145 2.765 ( -1.982 1.119 3.853) 4.475 2.831 ( 3.299 -0.154 -8.453) 9.075 3.686 ( -1.490 -1.029 1.803) 2.556 4.430 ( 0.944 1.023 5.601) 5.771 4.673 ( -9.893 -7.120 -4.932) 13.149 4.742 ( -6.289 -3.478 0.923) 7.246 5.028 ( 2.923 2.686 -1.561) 4.265 6.789 ( 1.649 0.294 0.686) 1.810 6.817 ( 3.454 2.647 -0.254) 4.359 8.260 ( -2.261 -2.252 1.169) 3.398 8.296 ( -0.123 0.727 0.872) 1.142 8.595 ( 1.459 2.056 2.826) 3.787 8.673 ( 7.551 3.273 -4.099) 9.195 9.866 ( -8.156 -4.686 0.036) 9.406 10.145 ( -6.429 -3.907 -0.390) 7.533 12.468 ( -6.952 4.042 -7.921) 11.287 12.494 ( 6.814 -6.742 9.418) 13.439 12.840 ( 8.447 16.214 6.367) 19.359 12.939 ( 21.448 3.790 -7.760) 23.121 15.111 ( -11.276 -6.070 -1.833) 12.936 15.229 ( -1.673 -1.293 4.665) 5.122 15.831 ( 7.132 3.994 -0.138) 8.176 16.547 ( -14.006 -8.291 0.865) 16.299 17.024 ( -3.894 -1.117 -2.482) 4.751 17.157 ( 6.673 2.989 0.310) 7.318 17.724 ( -0.252 -0.126 -0.160) 0.324 18.046 ( -0.275 -0.217 0.315) 0.472 =================== 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 3/39930 10.0 1014.868 1014.868 1189.871 -0.000 0.000 -0.000 3/39930 20.0 417.361 417.361 339.922 -0.000 -0.000 -0.000 3/39930 30.0 186.889 186.889 138.681 -0.000 -0.000 -0.000 3/39930 40.0 110.915 110.915 78.612 -0.000 -0.000 -0.000 3/39930 50.0 77.380 77.380 53.367 -0.000 -0.000 -0.000 3/39930 60.0 58.971 58.971 39.927 -0.000 -0.000 -0.000 3/39930 70.0 47.382 47.382 31.659 -0.000 -0.000 -0.000 3/39930 80.0 39.430 39.430 26.095 -0.000 -0.000 -0.000 3/39930 90.0 33.649 33.649 22.118 -0.000 -0.000 -0.000 3/39930 100.0 29.270 29.270 19.148 -0.000 -0.000 -0.000 3/39930 110.0 25.846 25.846 16.856 -0.000 -0.000 -0.000 3/39930 120.0 23.103 23.103 15.038 -0.000 -0.000 -0.000 3/39930 130.0 20.862 20.862 13.565 -0.000 -0.000 -0.000 3/39930 140.0 19.001 19.001 12.351 -0.000 -0.000 -0.000 3/39930 150.0 17.435 17.435 11.334 -0.000 -0.000 -0.000 3/39930 160.0 16.100 16.100 10.471 -0.000 -0.000 -0.000 3/39930 170.0 14.951 14.951 9.731 -0.000 -0.000 -0.000 3/39930 180.0 13.952 13.952 9.089 -0.000 -0.000 -0.000 3/39930 190.0 13.078 13.078 8.527 -0.000 -0.000 -0.000 3/39930 200.0 12.306 12.306 8.032 -0.000 -0.000 -0.000 3/39930 210.0 11.620 11.620 7.592 -0.000 -0.000 -0.000 3/39930 220.0 11.006 11.006 7.199 -0.000 -0.000 -0.000 3/39930 230.0 10.455 10.455 6.845 -0.000 -0.000 -0.000 3/39930 240.0 9.957 9.957 6.525 -0.000 -0.000 -0.000 3/39930 250.0 9.505 9.505 6.235 -0.000 -0.000 -0.000 3/39930 260.0 9.092 9.092 5.970 -0.000 -0.000 -0.000 3/39930 270.0 8.715 8.715 5.727 -0.000 -0.000 -0.000 3/39930 280.0 8.368 8.368 5.504 -0.000 -0.000 -0.000 3/39930 290.0 8.049 8.049 5.297 -0.000 -0.000 -0.000 3/39930 300.0 7.753 7.753 5.107 -0.000 -0.000 -0.000 3/39930 310.0 7.479 7.479 4.929 -0.000 -0.000 -0.000 3/39930 320.0 7.223 7.223 4.764 -0.000 -0.000 -0.000 3/39930 330.0 6.985 6.985 4.610 -0.000 -0.000 -0.000 3/39930 340.0 6.763 6.763 4.466 -0.000 -0.000 -0.000 3/39930 350.0 6.555 6.555 4.331 -0.000 -0.000 -0.000 3/39930 360.0 6.359 6.359 4.204 -0.000 -0.000 -0.000 3/39930 370.0 6.175 6.175 4.084 -0.000 -0.000 -0.000 3/39930 380.0 6.001 6.001 3.971 -0.000 -0.000 -0.000 3/39930 390.0 5.838 5.838 3.864 -0.000 -0.000 -0.000 3/39930 400.0 5.683 5.683 3.763 -0.000 -0.000 -0.000 3/39930 410.0 5.536 5.536 3.668 -0.000 -0.000 -0.000 3/39930 420.0 5.397 5.397 3.577 -0.000 -0.000 -0.000 3/39930 430.0 5.265 5.265 3.490 -0.000 -0.000 -0.000 3/39930 440.0 5.139 5.139 3.408 -0.000 -0.000 -0.000 3/39930 450.0 5.019 5.019 3.330 -0.000 -0.000 -0.000 3/39930 460.0 4.905 4.905 3.255 -0.000 -0.000 -0.000 3/39930 470.0 4.796 4.796 3.183 -0.000 -0.000 -0.000 3/39930 480.0 4.691 4.691 3.115 -0.000 -0.000 -0.000 3/39930 490.0 4.592 4.592 3.050 -0.000 -0.000 -0.000 3/39930 500.0 4.496 4.496 2.987 -0.000 -0.000 -0.000 3/39930 510.0 4.405 4.405 2.927 -0.000 -0.000 -0.000 3/39930 520.0 4.317 4.317 2.869 -0.000 -0.000 -0.000 3/39930 530.0 4.233 4.233 2.813 -0.000 -0.000 -0.000 3/39930 540.0 4.152 4.152 2.760 -0.000 -0.000 -0.000 3/39930 550.0 4.074 4.074 2.709 -0.000 -0.000 -0.000 3/39930 560.0 3.999 3.999 2.659 -0.000 -0.000 -0.000 3/39930 570.0 3.926 3.926 2.612 -0.000 -0.000 -0.000 3/39930 580.0 3.857 3.857 2.566 -0.000 -0.000 -0.000 3/39930 590.0 3.790 3.790 2.521 -0.000 -0.000 -0.000 3/39930 600.0 3.725 3.725 2.479 -0.000 -0.000 -0.000 3/39930 610.0 3.662 3.662 2.437 -0.000 -0.000 -0.000 3/39930 620.0 3.601 3.601 2.397 -0.000 -0.000 -0.000 3/39930 630.0 3.543 3.543 2.359 -0.000 -0.000 -0.000 3/39930 640.0 3.486 3.486 2.321 -0.000 -0.000 -0.000 3/39930 650.0 3.431 3.431 2.285 -0.000 -0.000 -0.000 3/39930 660.0 3.378 3.378 2.250 -0.000 -0.000 -0.000 3/39930 670.0 3.327 3.327 2.216 -0.000 -0.000 -0.000 3/39930 680.0 3.277 3.277 2.183 -0.000 -0.000 -0.000 3/39930 690.0 3.228 3.228 2.151 -0.000 -0.000 -0.000 3/39930 700.0 3.181 3.181 2.119 -0.000 -0.000 -0.000 3/39930 710.0 3.136 3.136 2.089 -0.000 -0.000 -0.000 3/39930 720.0 3.091 3.091 2.060 -0.000 -0.000 -0.000 3/39930 730.0 3.048 3.048 2.031 -0.000 -0.000 -0.000 3/39930 740.0 3.006 3.006 2.004 -0.000 -0.000 -0.000 3/39930 750.0 2.966 2.966 1.977 -0.000 -0.000 -0.000 3/39930 760.0 2.926 2.926 1.950 -0.000 -0.000 -0.000 3/39930 770.0 2.887 2.887 1.925 -0.000 -0.000 -0.000 3/39930 780.0 2.850 2.850 1.900 -0.000 -0.000 -0.000 3/39930 790.0 2.813 2.813 1.875 -0.000 -0.000 -0.000 3/39930 800.0 2.778 2.778 1.852 -0.000 -0.000 -0.000 3/39930 810.0 2.743 2.743 1.829 -0.000 -0.000 -0.000 3/39930 820.0 2.709 2.709 1.806 -0.000 -0.000 -0.000 3/39930 830.0 2.676 2.676 1.784 -0.000 -0.000 -0.000 3/39930 840.0 2.644 2.644 1.763 -0.000 -0.000 -0.000 3/39930 850.0 2.612 2.612 1.742 -0.000 -0.000 -0.000 3/39930 860.0 2.581 2.581 1.722 -0.000 -0.000 -0.000 3/39930 870.0 2.551 2.551 1.702 -0.000 -0.000 -0.000 3/39930 880.0 2.522 2.522 1.682 -0.000 -0.000 -0.000 3/39930 890.0 2.493 2.493 1.663 -0.000 -0.000 -0.000 3/39930 900.0 2.465 2.465 1.645 -0.000 -0.000 -0.000 3/39930 910.0 2.438 2.438 1.626 -0.000 -0.000 -0.000 3/39930 920.0 2.411 2.411 1.609 -0.000 -0.000 -0.000 3/39930 930.0 2.385 2.385 1.591 -0.000 -0.000 -0.000 3/39930 940.0 2.359 2.359 1.574 -0.000 -0.000 -0.000 3/39930 950.0 2.334 2.334 1.557 -0.000 -0.000 -0.000 3/39930 960.0 2.310 2.310 1.541 -0.000 -0.000 -0.000 3/39930 970.0 2.286 2.286 1.525 -0.000 -0.000 -0.000 3/39930 980.0 2.262 2.262 1.509 -0.000 -0.000 -0.000 3/39930 990.0 2.239 2.239 1.494 -0.000 -0.000 -0.000 3/39930 1000.0 2.217 2.217 1.479 -0.000 -0.000 -0.000 3/39930 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:25:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|