----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:49:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.581310095148836 2.067670347485700 5.856665269999994 b -3.581310095148829 2.067670347485700 5.856665269999994 c 0.000000000000004 -4.135340694971407 5.856665269999994 Atomic positions (fractional): *1 B 0.75554609323970 0.36416788853498 0.62989096643496 10.811 2 B 0.37010903356504 0.24445390676030 0.63583211146502 10.811 3 B 0.24445390676030 0.63583211146502 0.37010903356504 10.811 4 B 0.63583211146502 0.37010903356504 0.24445390676030 10.811 5 B 0.62989096643496 0.75554609323970 0.36416788853498 10.811 6 B 0.36416788853498 0.62989096643496 0.75554609323970 10.811 *7 O 0.58222634253083 0.20339547256188 0.45994000607968 15.999 8 O 0.45994000607968 0.58222634253083 0.20339547256188 15.999 9 O 0.20339547256188 0.45994000607968 0.58222634253083 15.999 10 O 0.79660452743812 0.54005999392032 0.41777365746917 15.999 *11 O 0.33639378657396 0.08383638266191 0.84025430443544 15.999 12 O 0.54005999392032 0.41777365746917 0.79660452743812 15.999 13 O 0.41777365746917 0.79660452743812 0.54005999392032 15.999 14 O 0.84025430443544 0.33639378657396 0.08383638266191 15.999 15 O 0.08383638266191 0.84025430443544 0.33639378657396 15.999 16 O 0.15974569556456 0.66360621342604 0.91616361733809 15.999 17 O 0.91616361733809 0.15974569556456 0.66360621342604 15.999 18 O 0.66360621342604 0.91616361733809 0.15974569556456 15.999 *19 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 *20 Ba 0.79222041421005 0.79222041421005 0.79222041421005 137.327 21 Ba 0.20777958578995 0.20777958578995 0.20777958578995 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.162620190297665 0.000000000000000 0.000000000000000 b -3.581310095148833 6.203011042457108 0.000000000000000 c 0.000000000000000 0.000000000000000 17.569995810000002 Atomic positions (fractional): *1 B 0.50567777716982 0.61997734963492 0.24986831606988 10.811 > 1 2 B 0.28664401630158 0.44763290579843 0.08346501726345 10.811 > 2 3 B 0.16098888949684 0.71335598369841 0.08346501726345 10.811 > 3 4 B 0.55236709420157 0.83901111050316 0.08346501726345 10.811 > 4 5 B 0.38002265036508 0.88570042753490 0.24986831606988 10.811 > 5 6 B 0.11429957246510 0.49432222283018 0.24986831606988 10.811 > 6 7 B 0.17234444383649 0.95331068296825 0.58320164940321 10.811 > 1 8 B 0.95331068296825 0.78096623913176 0.41679835059679 10.811 > 2 9 B 0.82765555616351 0.04668931703175 0.41679835059679 10.811 > 3 10 B 0.21903376086824 0.17234444383649 0.41679835059679 10.811 > 4 11 B 0.04668931703175 0.21903376086824 0.58320164940321 10.811 > 5 12 B 0.78096623913176 0.82765555616351 0.58320164940321 10.811 > 6 13 B 0.83901111050316 0.28664401630158 0.91653498273655 10.811 > 1 14 B 0.61997734963492 0.11429957246510 0.75013168393012 10.811 > 2 15 B 0.49432222283018 0.38002265036508 0.75013168393012 10.811 > 3 16 B 0.88570042753490 0.50567777716982 0.75013168393012 10.811 > 4 17 B 0.71335598369841 0.55236709420157 0.91653498273655 10.811 > 5 18 B 0.44763290579843 0.16098888949684 0.91653498273655 10.811 > 6 *19 O 0.50037240214003 0.62191393431112 0.08185394039080 15.999 > 7 20 O 0.37808606568888 0.87845846782892 0.08185394039080 15.999 > 8 21 O 0.12154153217108 0.49962759785997 0.08185394039080 15.999 > 9 22 O 0.54512513449558 0.83370573547337 0.25147939294254 15.999 > 10 *23 O 0.24956562868352 0.24657385345499 0.08682815789044 15.999 > 11 24 O 0.28858060097778 0.45487486550442 0.25147939294254 15.999 > 12 25 O 0.16629426452663 0.71141939902222 0.25147939294254 15.999 > 13 26 O 0.75342614654500 0.00299177522853 0.08682815789044 15.999 > 14 27 O 0.99700822477147 0.75043437131648 0.08682815789044 15.999 > 15 28 O 0.91324052012166 0.33034155810481 0.24650517544290 15.999 > 16 29 O 0.66965844189519 0.58289896201685 0.24650517544290 15.999 > 17 30 O 0.41710103798315 0.08675947987834 0.24650517544290 15.999 > 18 31 O 0.16703906880670 0.95524726764445 0.41518727372413 15.999 > 7 32 O 0.04475273235555 0.21179180116225 0.41518727372413 15.999 > 8 33 O 0.78820819883775 0.83296093119330 0.41518727372413 15.999 > 9 34 O 0.21179180116225 0.16703906880670 0.58481272627587 15.999 > 10 35 O 0.91623229535019 0.57990718678833 0.42016149122377 15.999 > 11 36 O 0.95524726764445 0.78820819883775 0.58481272627587 15.999 > 12 37 O 0.83296093119330 0.04475273235555 0.58481272627587 15.999 > 13 38 O 0.42009281321167 0.33632510856186 0.42016149122377 15.999 > 14 39 O 0.66367489143814 0.08376770464981 0.42016149122377 15.999 > 15 40 O 0.57990718678833 0.66367489143814 0.57983850877623 15.999 > 16 41 O 0.33632510856186 0.91623229535019 0.57983850877623 15.999 > 17 42 O 0.08376770464981 0.42009281321167 0.57983850877623 15.999 > 18 43 O 0.83370573547337 0.28858060097778 0.74852060705746 15.999 > 7 44 O 0.71141939902222 0.54512513449558 0.74852060705746 15.999 > 8 45 O 0.45487486550442 0.16629426452663 0.74852060705746 15.999 > 9 46 O 0.87845846782892 0.50037240214003 0.91814605960920 15.999 > 10 47 O 0.58289896201685 0.91324052012166 0.75349482455710 15.999 > 11 48 O 0.62191393431112 0.12154153217108 0.91814605960920 15.999 > 12 49 O 0.49962759785997 0.37808606568888 0.91814605960920 15.999 > 13 50 O 0.08675947987834 0.66965844189519 0.75349482455710 15.999 > 14 51 O 0.33034155810481 0.41710103798315 0.75349482455710 15.999 > 15 52 O 0.24657385345499 0.99700822477147 0.91317184210956 15.999 > 16 53 O 0.00299177522853 0.24956562868352 0.91317184210956 15.999 > 17 54 O 0.75043437131648 0.75342614654500 0.91317184210956 15.999 > 18 *55 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 19 56 Ca 0.66666666666667 0.33333333333333 0.33333333333333 40.078 > 19 57 Ca 0.33333333333333 0.66666666666667 0.66666666666667 40.078 > 19 *58 Ba 0.66666666666667 0.33333333333333 0.12555374754338 137.327 > 20 59 Ba 0.00000000000000 0.00000000000000 0.20777958578995 137.327 > 21 60 Ba 0.33333333333333 0.66666666666667 0.45888708087672 137.327 > 20 61 Ba 0.66666666666667 0.33333333333333 0.54111291912328 137.327 > 21 62 Ba 0.00000000000000 0.00000000000000 0.79222041421005 137.327 > 20 63 Ba 0.33333333333333 0.66666666666667 0.87444625245662 137.327 > 21 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.162620190297665 0.000000000000000 0.000000000000000 b -3.581310095148833 6.203011042457108 0.000000000000000 c 0.000000000000000 0.000000000000000 17.569995810000002 Atomic positions (fractional): *1 B 0.50567777716982 0.61997734963492 0.24986831606988 10.811 > 1 2 B 0.28664401630158 0.44763290579843 0.08346501726345 10.811 > 2 3 B 0.16098888949684 0.71335598369841 0.08346501726345 10.811 > 3 4 B 0.55236709420157 0.83901111050316 0.08346501726345 10.811 > 4 5 B 0.38002265036508 0.88570042753490 0.24986831606988 10.811 > 5 6 B 0.11429957246510 0.49432222283018 0.24986831606988 10.811 > 6 7 B 0.17234444383649 0.95331068296825 0.58320164940321 10.811 > 1 8 B 0.95331068296825 0.78096623913176 0.41679835059679 10.811 > 2 9 B 0.82765555616351 0.04668931703175 0.41679835059679 10.811 > 3 10 B 0.21903376086824 0.17234444383649 0.41679835059679 10.811 > 4 11 B 0.04668931703175 0.21903376086824 0.58320164940321 10.811 > 5 12 B 0.78096623913176 0.82765555616351 0.58320164940321 10.811 > 6 13 B 0.83901111050316 0.28664401630158 0.91653498273655 10.811 > 1 14 B 0.61997734963492 0.11429957246510 0.75013168393012 10.811 > 2 15 B 0.49432222283018 0.38002265036508 0.75013168393012 10.811 > 3 16 B 0.88570042753490 0.50567777716982 0.75013168393012 10.811 > 4 17 B 0.71335598369841 0.55236709420157 0.91653498273655 10.811 > 5 18 B 0.44763290579843 0.16098888949684 0.91653498273655 10.811 > 6 *19 O 0.50037240214003 0.62191393431112 0.08185394039080 15.999 > 7 20 O 0.37808606568888 0.87845846782892 0.08185394039080 15.999 > 8 21 O 0.12154153217108 0.49962759785997 0.08185394039080 15.999 > 9 22 O 0.54512513449558 0.83370573547337 0.25147939294254 15.999 > 10 *23 O 0.24956562868352 0.24657385345499 0.08682815789044 15.999 > 11 24 O 0.28858060097778 0.45487486550442 0.25147939294254 15.999 > 12 25 O 0.16629426452663 0.71141939902222 0.25147939294254 15.999 > 13 26 O 0.75342614654500 0.00299177522853 0.08682815789044 15.999 > 14 27 O 0.99700822477147 0.75043437131648 0.08682815789044 15.999 > 15 28 O 0.91324052012166 0.33034155810481 0.24650517544290 15.999 > 16 29 O 0.66965844189519 0.58289896201685 0.24650517544290 15.999 > 17 30 O 0.41710103798315 0.08675947987834 0.24650517544290 15.999 > 18 31 O 0.16703906880670 0.95524726764445 0.41518727372413 15.999 > 7 32 O 0.04475273235555 0.21179180116225 0.41518727372413 15.999 > 8 33 O 0.78820819883775 0.83296093119330 0.41518727372413 15.999 > 9 34 O 0.21179180116225 0.16703906880670 0.58481272627587 15.999 > 10 35 O 0.91623229535019 0.57990718678833 0.42016149122377 15.999 > 11 36 O 0.95524726764445 0.78820819883775 0.58481272627587 15.999 > 12 37 O 0.83296093119330 0.04475273235555 0.58481272627587 15.999 > 13 38 O 0.42009281321167 0.33632510856186 0.42016149122377 15.999 > 14 39 O 0.66367489143814 0.08376770464981 0.42016149122377 15.999 > 15 40 O 0.57990718678833 0.66367489143814 0.57983850877623 15.999 > 16 41 O 0.33632510856186 0.91623229535019 0.57983850877623 15.999 > 17 42 O 0.08376770464981 0.42009281321167 0.57983850877623 15.999 > 18 43 O 0.83370573547337 0.28858060097778 0.74852060705746 15.999 > 7 44 O 0.71141939902222 0.54512513449558 0.74852060705746 15.999 > 8 45 O 0.45487486550442 0.16629426452663 0.74852060705746 15.999 > 9 46 O 0.87845846782892 0.50037240214003 0.91814605960920 15.999 > 10 47 O 0.58289896201685 0.91324052012166 0.75349482455710 15.999 > 11 48 O 0.62191393431112 0.12154153217108 0.91814605960920 15.999 > 12 49 O 0.49962759785997 0.37808606568888 0.91814605960920 15.999 > 13 50 O 0.08675947987834 0.66965844189519 0.75349482455710 15.999 > 14 51 O 0.33034155810481 0.41710103798315 0.75349482455710 15.999 > 15 52 O 0.24657385345499 0.99700822477147 0.91317184210956 15.999 > 16 53 O 0.00299177522853 0.24956562868352 0.91317184210956 15.999 > 17 54 O 0.75043437131648 0.75342614654500 0.91317184210956 15.999 > 18 *55 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 19 56 Ca 0.66666666666667 0.33333333333333 0.33333333333333 40.078 > 19 57 Ca 0.33333333333333 0.66666666666667 0.66666666666667 40.078 > 19 *58 Ba 0.66666666666667 0.33333333333333 0.12555374754338 137.327 > 20 59 Ba 0.00000000000000 0.00000000000000 0.20777958578995 137.327 > 21 60 Ba 0.33333333333333 0.66666666666667 0.45888708087672 137.327 > 20 61 Ba 0.66666666666667 0.33333333333333 0.54111291912328 137.327 > 21 62 Ba 0.00000000000000 0.00000000000000 0.79222041421005 137.327 > 20 63 Ba 0.33333333333333 0.66666666666667 0.87444625245662 137.327 > 21 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0864530 -0.0000447 0.0000000 0.0000447 3.0864530 0.0000000 0.0000000 0.0000000 2.6179067 -------------------------- Born effective charges -------------------------- 1 B 3.0880688 -0.0634050 -0.0348923 -0.1194106 2.2739208 -0.0213744 -0.0042140 -0.0044402 0.7822253 2 B 2.3982964 -0.2788297 0.0359569 -0.3348353 2.9636932 -0.0195304 0.0059523 -0.0014293 0.7822253 3 B 3.0880688 -0.0634050 -0.0348923 -0.1194106 2.2739208 -0.0213744 -0.0042140 -0.0044402 0.7822253 4 B 2.5566193 0.4262431 -0.0010646 0.3702375 2.8053703 0.0409048 -0.0017383 0.0058695 0.7822253 5 B 2.3982964 -0.2788297 0.0359569 -0.3348353 2.9636932 -0.0195304 0.0059523 -0.0014293 0.7822253 6 B 2.5566193 0.4262431 -0.0010646 0.3702375 2.8053703 0.0409048 -0.0017383 0.0058695 0.7822253 7 O -1.4133019 -0.1849069 -0.0129141 -0.1454894 -2.6242666 0.0183916 0.0037343 0.0335699 -0.7144165 8 O -2.4645912 -0.4614728 -0.0094705 -0.4220553 -1.5729773 -0.0203797 -0.0309396 -0.0135510 -0.7144165 9 O -2.1784597 0.5872534 0.0223846 0.6266709 -1.8591089 0.0019882 0.0272053 -0.0200189 -0.7144165 10 O -2.1784597 0.5872534 0.0223846 0.6266709 -1.8591089 0.0019882 0.0272053 -0.0200189 -0.7144165 11 O -1.5710238 0.2029884 -0.0821472 0.1520090 -2.4488582 0.0212795 -0.1055473 -0.0716690 -1.3207181 12 O -2.4645912 -0.4614728 -0.0094705 -0.4220553 -1.5729773 -0.0203797 -0.0309396 -0.0135510 -0.7144165 13 O -1.4133019 -0.1849069 -0.0129141 -0.1454894 -2.6242666 0.0183916 0.0037343 0.0335699 -0.7144165 14 O -2.0756812 -0.4433731 0.0226451 -0.4943525 -1.9442008 -0.0817813 0.1148408 -0.0555721 -1.3207181 15 O -2.3831180 0.3168538 0.0595022 0.2658744 -1.6367640 0.0605019 -0.0092935 0.1272411 -1.3207181 16 O -2.0756812 -0.4433731 0.0226451 -0.4943525 -1.9442008 -0.0817813 0.1148408 -0.0555721 -1.3207181 17 O -2.3831180 0.3168538 0.0595022 0.2658744 -1.6367640 0.0605019 -0.0092935 0.1272411 -1.3207181 18 O -1.5710238 0.2029884 -0.0821472 0.1520090 -2.4488582 0.0212795 -0.1055473 -0.0716690 -1.3207181 19 Ca 2.4042073 -0.1959953 -0.0000000 0.1959953 2.4042073 0.0000000 0.0000000 -0.0000000 2.7722143 20 Ba 2.8410877 -0.0033537 -0.0000000 0.0033537 2.8410877 0.0000000 0.0000000 -0.0000000 2.3726209 21 Ba 2.8410877 -0.0033537 -0.0000000 0.0033537 2.8410877 0.0000000 0.0000000 -0.0000000 2.3726209 ---------------------------------------------------------------------------- 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: 189/189 Permutation basis: 7587/7587 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1014 Number of blocks in projector: 478 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1014, 982), data: False |-- (124, 119), data: True |-- (432, 420), data: True |-- (458, 443), data: True ----- Solver_atoms: 1 -- 63 / 63 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 0.610 Solver_block: 200 / 480 - Time: 0.618 Solver_block: 300 / 480 - Time: 0.617 Solver_block: 400 / 480 - Time: 0.617 Solver_block: 480 / 480 - Time: 0.522 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.002 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 189/189 Permutation basis: 7587/7587 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1014 Number of blocks in projector: 478 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1014, 982), data: False |-- (124, 119), data: True |-- (432, 420), data: True |-- (458, 443), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:50:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:50:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.581310095148836 2.067670347485700 5.856665269999994 b -3.581310095148829 2.067670347485700 5.856665269999994 c 0.000000000000004 -4.135340694971407 5.856665269999994 Atomic positions (fractional): 1 B 0.75554609323970 0.36416788853498 0.62989096643496 10.811 2 B 0.37010903356504 0.24445390676030 0.63583211146502 10.811 3 B 0.24445390676030 0.63583211146502 0.37010903356504 10.811 4 B 0.63583211146502 0.37010903356504 0.24445390676030 10.811 5 B 0.62989096643496 0.75554609323970 0.36416788853498 10.811 6 B 0.36416788853498 0.62989096643496 0.75554609323970 10.811 7 O 0.58222634253083 0.20339547256188 0.45994000607968 15.999 8 O 0.45994000607968 0.58222634253083 0.20339547256188 15.999 9 O 0.20339547256188 0.45994000607968 0.58222634253083 15.999 10 O 0.79660452743812 0.54005999392032 0.41777365746917 15.999 11 O 0.33639378657396 0.08383638266191 0.84025430443544 15.999 12 O 0.54005999392032 0.41777365746917 0.79660452743812 15.999 13 O 0.41777365746917 0.79660452743812 0.54005999392032 15.999 14 O 0.84025430443544 0.33639378657396 0.08383638266191 15.999 15 O 0.08383638266191 0.84025430443544 0.33639378657396 15.999 16 O 0.15974569556456 0.66360621342604 0.91616361733809 15.999 17 O 0.91616361733809 0.15974569556456 0.66360621342604 15.999 18 O 0.66360621342604 0.91616361733809 0.15974569556456 15.999 19 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 20 Ba 0.79222041421005 0.79222041421005 0.79222041421005 137.327 21 Ba 0.20777958578995 0.20777958578995 0.20777958578995 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.162620190297665 0.000000000000000 0.000000000000000 b -3.581310095148833 6.203011042457108 0.000000000000000 c 0.000000000000000 0.000000000000000 17.569995810000002 Atomic positions (fractional): 1 B 0.50567777716982 0.61997734963492 0.24986831606988 10.811 > 1 2 B 0.28664401630158 0.44763290579843 0.08346501726345 10.811 > 2 3 B 0.16098888949684 0.71335598369841 0.08346501726345 10.811 > 3 4 B 0.55236709420157 0.83901111050316 0.08346501726345 10.811 > 4 5 B 0.38002265036508 0.88570042753490 0.24986831606988 10.811 > 5 6 B 0.11429957246510 0.49432222283018 0.24986831606988 10.811 > 6 7 B 0.17234444383649 0.95331068296825 0.58320164940321 10.811 > 1 8 B 0.95331068296825 0.78096623913176 0.41679835059679 10.811 > 2 9 B 0.82765555616351 0.04668931703175 0.41679835059679 10.811 > 3 10 B 0.21903376086824 0.17234444383649 0.41679835059679 10.811 > 4 11 B 0.04668931703175 0.21903376086824 0.58320164940321 10.811 > 5 12 B 0.78096623913176 0.82765555616351 0.58320164940321 10.811 > 6 13 B 0.83901111050316 0.28664401630158 0.91653498273655 10.811 > 1 14 B 0.61997734963492 0.11429957246510 0.75013168393012 10.811 > 2 15 B 0.49432222283018 0.38002265036508 0.75013168393012 10.811 > 3 16 B 0.88570042753490 0.50567777716982 0.75013168393012 10.811 > 4 17 B 0.71335598369841 0.55236709420157 0.91653498273655 10.811 > 5 18 B 0.44763290579843 0.16098888949684 0.91653498273655 10.811 > 6 19 O 0.50037240214003 0.62191393431112 0.08185394039080 15.999 > 19 20 O 0.37808606568888 0.87845846782892 0.08185394039080 15.999 > 20 21 O 0.12154153217108 0.49962759785997 0.08185394039080 15.999 > 21 22 O 0.54512513449558 0.83370573547337 0.25147939294254 15.999 > 22 23 O 0.24956562868352 0.24657385345499 0.08682815789044 15.999 > 23 24 O 0.28858060097778 0.45487486550442 0.25147939294254 15.999 > 24 25 O 0.16629426452663 0.71141939902222 0.25147939294254 15.999 > 25 26 O 0.75342614654500 0.00299177522853 0.08682815789044 15.999 > 26 27 O 0.99700822477147 0.75043437131648 0.08682815789044 15.999 > 27 28 O 0.91324052012166 0.33034155810481 0.24650517544290 15.999 > 28 29 O 0.66965844189519 0.58289896201685 0.24650517544290 15.999 > 29 30 O 0.41710103798315 0.08675947987834 0.24650517544290 15.999 > 30 31 O 0.16703906880670 0.95524726764445 0.41518727372413 15.999 > 19 32 O 0.04475273235555 0.21179180116225 0.41518727372413 15.999 > 20 33 O 0.78820819883775 0.83296093119330 0.41518727372413 15.999 > 21 34 O 0.21179180116225 0.16703906880670 0.58481272627587 15.999 > 22 35 O 0.91623229535019 0.57990718678833 0.42016149122377 15.999 > 23 36 O 0.95524726764445 0.78820819883775 0.58481272627587 15.999 > 24 37 O 0.83296093119330 0.04475273235555 0.58481272627587 15.999 > 25 38 O 0.42009281321167 0.33632510856186 0.42016149122377 15.999 > 26 39 O 0.66367489143814 0.08376770464981 0.42016149122377 15.999 > 27 40 O 0.57990718678833 0.66367489143814 0.57983850877623 15.999 > 28 41 O 0.33632510856186 0.91623229535019 0.57983850877623 15.999 > 29 42 O 0.08376770464981 0.42009281321167 0.57983850877623 15.999 > 30 43 O 0.83370573547337 0.28858060097778 0.74852060705746 15.999 > 19 44 O 0.71141939902222 0.54512513449558 0.74852060705746 15.999 > 20 45 O 0.45487486550442 0.16629426452663 0.74852060705746 15.999 > 21 46 O 0.87845846782892 0.50037240214003 0.91814605960920 15.999 > 22 47 O 0.58289896201685 0.91324052012166 0.75349482455710 15.999 > 23 48 O 0.62191393431112 0.12154153217108 0.91814605960920 15.999 > 24 49 O 0.49962759785997 0.37808606568888 0.91814605960920 15.999 > 25 50 O 0.08675947987834 0.66965844189519 0.75349482455710 15.999 > 26 51 O 0.33034155810481 0.41710103798315 0.75349482455710 15.999 > 27 52 O 0.24657385345499 0.99700822477147 0.91317184210956 15.999 > 28 53 O 0.00299177522853 0.24956562868352 0.91317184210956 15.999 > 29 54 O 0.75043437131648 0.75342614654500 0.91317184210956 15.999 > 30 55 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 55 56 Ca 0.66666666666667 0.33333333333333 0.33333333333333 40.078 > 55 57 Ca 0.33333333333333 0.66666666666667 0.66666666666667 40.078 > 55 58 Ba 0.66666666666667 0.33333333333333 0.12555374754338 137.327 > 58 59 Ba 0.00000000000000 0.00000000000000 0.20777958578995 137.327 > 59 60 Ba 0.33333333333333 0.66666666666667 0.45888708087672 137.327 > 58 61 Ba 0.66666666666667 0.33333333333333 0.54111291912328 137.327 > 59 62 Ba 0.00000000000000 0.00000000000000 0.79222041421005 137.327 > 58 63 Ba 0.33333333333333 0.66666666666667 0.87444625245662 137.327 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0864530 -0.0000447 0.0000000 0.0000447 3.0864530 0.0000000 0.0000000 0.0000000 2.6179067 -------------------------- Born effective charges -------------------------- 1 B 3.0880688 -0.0634050 -0.0348923 -0.1194106 2.2739208 -0.0213744 -0.0042140 -0.0044402 0.7822253 2 B 2.3982964 -0.2788297 0.0359569 -0.3348353 2.9636932 -0.0195304 0.0059523 -0.0014293 0.7822253 3 B 3.0880688 -0.0634050 -0.0348923 -0.1194106 2.2739208 -0.0213744 -0.0042140 -0.0044402 0.7822253 4 B 2.5566193 0.4262431 -0.0010646 0.3702375 2.8053703 0.0409048 -0.0017383 0.0058695 0.7822253 5 B 2.3982964 -0.2788297 0.0359569 -0.3348353 2.9636932 -0.0195304 0.0059523 -0.0014293 0.7822253 6 B 2.5566193 0.4262431 -0.0010646 0.3702375 2.8053703 0.0409048 -0.0017383 0.0058695 0.7822253 7 O -1.4133019 -0.1849069 -0.0129141 -0.1454894 -2.6242666 0.0183916 0.0037343 0.0335699 -0.7144165 8 O -2.4645912 -0.4614728 -0.0094705 -0.4220553 -1.5729773 -0.0203797 -0.0309396 -0.0135510 -0.7144165 9 O -2.1784597 0.5872534 0.0223846 0.6266709 -1.8591089 0.0019882 0.0272053 -0.0200189 -0.7144165 10 O -2.1784597 0.5872534 0.0223846 0.6266709 -1.8591089 0.0019882 0.0272053 -0.0200189 -0.7144165 11 O -1.5710238 0.2029884 -0.0821472 0.1520090 -2.4488582 0.0212795 -0.1055473 -0.0716690 -1.3207181 12 O -2.4645912 -0.4614728 -0.0094705 -0.4220553 -1.5729773 -0.0203797 -0.0309396 -0.0135510 -0.7144165 13 O -1.4133019 -0.1849069 -0.0129141 -0.1454894 -2.6242666 0.0183916 0.0037343 0.0335699 -0.7144165 14 O -2.0756812 -0.4433731 0.0226451 -0.4943525 -1.9442008 -0.0817813 0.1148408 -0.0555721 -1.3207181 15 O -2.3831180 0.3168538 0.0595022 0.2658744 -1.6367640 0.0605019 -0.0092935 0.1272411 -1.3207181 16 O -2.0756812 -0.4433731 0.0226451 -0.4943525 -1.9442008 -0.0817813 0.1148408 -0.0555721 -1.3207181 17 O -2.3831180 0.3168538 0.0595022 0.2658744 -1.6367640 0.0605019 -0.0092935 0.1272411 -1.3207181 18 O -1.5710238 0.2029884 -0.0821472 0.1520090 -2.4488582 0.0212795 -0.1055473 -0.0716690 -1.3207181 19 Ca 2.4042073 -0.1959953 -0.0000000 0.1959953 2.4042073 0.0000000 0.0000000 -0.0000000 2.7722143 20 Ba 2.8410877 -0.0033537 -0.0000000 0.0033537 2.8410877 0.0000000 0.0000000 -0.0000000 2.3726209 21 Ba 2.8410877 -0.0033537 -0.0000000 0.0033537 2.8410877 0.0000000 0.0000000 -0.0000000 2.3726209 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, 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[ 58, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:50:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:50:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.581310095148836 2.067670347485700 5.856665269999994 b -3.581310095148829 2.067670347485700 5.856665269999994 c 0.000000000000004 -4.135340694971407 5.856665269999994 Atomic positions (fractional): 1 B 0.75554609323970 0.36416788853498 0.62989096643496 10.811 2 B 0.37010903356504 0.24445390676030 0.63583211146502 10.811 3 B 0.24445390676030 0.63583211146502 0.37010903356504 10.811 4 B 0.63583211146502 0.37010903356504 0.24445390676030 10.811 5 B 0.62989096643496 0.75554609323970 0.36416788853498 10.811 6 B 0.36416788853498 0.62989096643496 0.75554609323970 10.811 7 O 0.58222634253083 0.20339547256188 0.45994000607968 15.999 8 O 0.45994000607968 0.58222634253083 0.20339547256188 15.999 9 O 0.20339547256188 0.45994000607968 0.58222634253083 15.999 10 O 0.79660452743812 0.54005999392032 0.41777365746917 15.999 11 O 0.33639378657396 0.08383638266191 0.84025430443544 15.999 12 O 0.54005999392032 0.41777365746917 0.79660452743812 15.999 13 O 0.41777365746917 0.79660452743812 0.54005999392032 15.999 14 O 0.84025430443544 0.33639378657396 0.08383638266191 15.999 15 O 0.08383638266191 0.84025430443544 0.33639378657396 15.999 16 O 0.15974569556456 0.66360621342604 0.91616361733809 15.999 17 O 0.91616361733809 0.15974569556456 0.66360621342604 15.999 18 O 0.66360621342604 0.91616361733809 0.15974569556456 15.999 19 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 20 Ba 0.79222041421005 0.79222041421005 0.79222041421005 137.327 21 Ba 0.20777958578995 0.20777958578995 0.20777958578995 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.162620190297665 0.000000000000000 0.000000000000000 b -3.581310095148833 6.203011042457108 0.000000000000000 c 0.000000000000000 0.000000000000000 17.569995810000002 Atomic positions (fractional): 1 B 0.50567777716982 0.61997734963492 0.24986831606988 10.811 > 1 2 B 0.28664401630158 0.44763290579843 0.08346501726345 10.811 > 2 3 B 0.16098888949684 0.71335598369841 0.08346501726345 10.811 > 3 4 B 0.55236709420157 0.83901111050316 0.08346501726345 10.811 > 4 5 B 0.38002265036508 0.88570042753490 0.24986831606988 10.811 > 5 6 B 0.11429957246510 0.49432222283018 0.24986831606988 10.811 > 6 7 B 0.17234444383649 0.95331068296825 0.58320164940321 10.811 > 1 8 B 0.95331068296825 0.78096623913176 0.41679835059679 10.811 > 2 9 B 0.82765555616351 0.04668931703175 0.41679835059679 10.811 > 3 10 B 0.21903376086824 0.17234444383649 0.41679835059679 10.811 > 4 11 B 0.04668931703175 0.21903376086824 0.58320164940321 10.811 > 5 12 B 0.78096623913176 0.82765555616351 0.58320164940321 10.811 > 6 13 B 0.83901111050316 0.28664401630158 0.91653498273655 10.811 > 1 14 B 0.61997734963492 0.11429957246510 0.75013168393012 10.811 > 2 15 B 0.49432222283018 0.38002265036508 0.75013168393012 10.811 > 3 16 B 0.88570042753490 0.50567777716982 0.75013168393012 10.811 > 4 17 B 0.71335598369841 0.55236709420157 0.91653498273655 10.811 > 5 18 B 0.44763290579843 0.16098888949684 0.91653498273655 10.811 > 6 19 O 0.50037240214003 0.62191393431112 0.08185394039080 15.999 > 19 20 O 0.37808606568888 0.87845846782892 0.08185394039080 15.999 > 20 21 O 0.12154153217108 0.49962759785997 0.08185394039080 15.999 > 21 22 O 0.54512513449558 0.83370573547337 0.25147939294254 15.999 > 22 23 O 0.24956562868352 0.24657385345499 0.08682815789044 15.999 > 23 24 O 0.28858060097778 0.45487486550442 0.25147939294254 15.999 > 24 25 O 0.16629426452663 0.71141939902222 0.25147939294254 15.999 > 25 26 O 0.75342614654500 0.00299177522853 0.08682815789044 15.999 > 26 27 O 0.99700822477147 0.75043437131648 0.08682815789044 15.999 > 27 28 O 0.91324052012166 0.33034155810481 0.24650517544290 15.999 > 28 29 O 0.66965844189519 0.58289896201685 0.24650517544290 15.999 > 29 30 O 0.41710103798315 0.08675947987834 0.24650517544290 15.999 > 30 31 O 0.16703906880670 0.95524726764445 0.41518727372413 15.999 > 19 32 O 0.04475273235555 0.21179180116225 0.41518727372413 15.999 > 20 33 O 0.78820819883775 0.83296093119330 0.41518727372413 15.999 > 21 34 O 0.21179180116225 0.16703906880670 0.58481272627587 15.999 > 22 35 O 0.91623229535019 0.57990718678833 0.42016149122377 15.999 > 23 36 O 0.95524726764445 0.78820819883775 0.58481272627587 15.999 > 24 37 O 0.83296093119330 0.04475273235555 0.58481272627587 15.999 > 25 38 O 0.42009281321167 0.33632510856186 0.42016149122377 15.999 > 26 39 O 0.66367489143814 0.08376770464981 0.42016149122377 15.999 > 27 40 O 0.57990718678833 0.66367489143814 0.57983850877623 15.999 > 28 41 O 0.33632510856186 0.91623229535019 0.57983850877623 15.999 > 29 42 O 0.08376770464981 0.42009281321167 0.57983850877623 15.999 > 30 43 O 0.83370573547337 0.28858060097778 0.74852060705746 15.999 > 19 44 O 0.71141939902222 0.54512513449558 0.74852060705746 15.999 > 20 45 O 0.45487486550442 0.16629426452663 0.74852060705746 15.999 > 21 46 O 0.87845846782892 0.50037240214003 0.91814605960920 15.999 > 22 47 O 0.58289896201685 0.91324052012166 0.75349482455710 15.999 > 23 48 O 0.62191393431112 0.12154153217108 0.91814605960920 15.999 > 24 49 O 0.49962759785997 0.37808606568888 0.91814605960920 15.999 > 25 50 O 0.08675947987834 0.66965844189519 0.75349482455710 15.999 > 26 51 O 0.33034155810481 0.41710103798315 0.75349482455710 15.999 > 27 52 O 0.24657385345499 0.99700822477147 0.91317184210956 15.999 > 28 53 O 0.00299177522853 0.24956562868352 0.91317184210956 15.999 > 29 54 O 0.75043437131648 0.75342614654500 0.91317184210956 15.999 > 30 55 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 55 56 Ca 0.66666666666667 0.33333333333333 0.33333333333333 40.078 > 55 57 Ca 0.33333333333333 0.66666666666667 0.66666666666667 40.078 > 55 58 Ba 0.66666666666667 0.33333333333333 0.12555374754338 137.327 > 58 59 Ba 0.00000000000000 0.00000000000000 0.20777958578995 137.327 > 59 60 Ba 0.33333333333333 0.66666666666667 0.45888708087672 137.327 > 58 61 Ba 0.66666666666667 0.33333333333333 0.54111291912328 137.327 > 59 62 Ba 0.00000000000000 0.00000000000000 0.79222041421005 137.327 > 58 63 Ba 0.33333333333333 0.66666666666667 0.87444625245662 137.327 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0864530 -0.0000447 0.0000000 0.0000447 3.0864530 0.0000000 0.0000000 0.0000000 2.6179067 -------------------------- Born effective charges -------------------------- 1 B 3.0880688 -0.0634050 -0.0348923 -0.1194106 2.2739208 -0.0213744 -0.0042140 -0.0044402 0.7822253 2 B 2.3982964 -0.2788297 0.0359569 -0.3348353 2.9636932 -0.0195304 0.0059523 -0.0014293 0.7822253 3 B 3.0880688 -0.0634050 -0.0348923 -0.1194106 2.2739208 -0.0213744 -0.0042140 -0.0044402 0.7822253 4 B 2.5566193 0.4262431 -0.0010646 0.3702375 2.8053703 0.0409048 -0.0017383 0.0058695 0.7822253 5 B 2.3982964 -0.2788297 0.0359569 -0.3348353 2.9636932 -0.0195304 0.0059523 -0.0014293 0.7822253 6 B 2.5566193 0.4262431 -0.0010646 0.3702375 2.8053703 0.0409048 -0.0017383 0.0058695 0.7822253 7 O -1.4133019 -0.1849069 -0.0129141 -0.1454894 -2.6242666 0.0183916 0.0037343 0.0335699 -0.7144165 8 O -2.4645912 -0.4614728 -0.0094705 -0.4220553 -1.5729773 -0.0203797 -0.0309396 -0.0135510 -0.7144165 9 O -2.1784597 0.5872534 0.0223846 0.6266709 -1.8591089 0.0019882 0.0272053 -0.0200189 -0.7144165 10 O -2.1784597 0.5872534 0.0223846 0.6266709 -1.8591089 0.0019882 0.0272053 -0.0200189 -0.7144165 11 O -1.5710238 0.2029884 -0.0821472 0.1520090 -2.4488582 0.0212795 -0.1055473 -0.0716690 -1.3207181 12 O -2.4645912 -0.4614728 -0.0094705 -0.4220553 -1.5729773 -0.0203797 -0.0309396 -0.0135510 -0.7144165 13 O -1.4133019 -0.1849069 -0.0129141 -0.1454894 -2.6242666 0.0183916 0.0037343 0.0335699 -0.7144165 14 O -2.0756812 -0.4433731 0.0226451 -0.4943525 -1.9442008 -0.0817813 0.1148408 -0.0555721 -1.3207181 15 O -2.3831180 0.3168538 0.0595022 0.2658744 -1.6367640 0.0605019 -0.0092935 0.1272411 -1.3207181 16 O -2.0756812 -0.4433731 0.0226451 -0.4943525 -1.9442008 -0.0817813 0.1148408 -0.0555721 -1.3207181 17 O -2.3831180 0.3168538 0.0595022 0.2658744 -1.6367640 0.0605019 -0.0092935 0.1272411 -1.3207181 18 O -1.5710238 0.2029884 -0.0821472 0.1520090 -2.4488582 0.0212795 -0.1055473 -0.0716690 -1.3207181 19 Ca 2.4042073 -0.1959953 -0.0000000 0.1959953 2.4042073 0.0000000 0.0000000 -0.0000000 2.7722143 20 Ba 2.8410877 -0.0033537 -0.0000000 0.0033537 2.8410877 0.0000000 0.0000000 -0.0000000 2.3726209 21 Ba 2.8410877 -0.0033537 -0.0000000 0.0033537 2.8410877 0.0000000 0.0000000 -0.0000000 2.3726209 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 6.575 ( 0.000 0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 7.314 ( 0.000 0.000 0.000) 0.000 7.314 ( 0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 9.122 ( 0.000 0.000 0.000) 0.000 11.666 ( 0.000 0.000 0.000) 0.000 11.666 ( 0.000 0.000 0.000) 0.000 11.813 ( 0.000 0.000 0.000) 0.000 11.813 ( 0.000 0.000 0.000) 0.000 14.051 ( 0.000 0.000 0.000) 0.000 14.051 ( 0.000 0.000 0.000) 0.000 14.198 ( 0.000 0.000 0.000) 0.000 14.198 ( 0.000 0.000 0.000) 0.000 17.429 ( 0.000 0.000 0.000) 0.000 17.516 ( 0.000 0.000 0.000) 0.000 18.660 ( 0.000 0.000 0.000) 0.000 18.811 ( 0.000 0.000 0.000) 0.000 19.568 ( 0.000 0.000 0.000) 0.000 19.568 ( 0.000 0.000 0.000) 0.000 20.126 ( 0.000 0.000 0.000) 0.000 20.126 ( 0.000 0.000 0.000) 0.000 20.145 ( 0.000 0.000 0.000) 0.000 21.476 ( 0.000 0.000 0.000) 0.000 22.520 ( 0.000 0.000 0.000) 0.000 22.533 ( 0.000 0.000 0.000) 0.000 28.162 ( 0.000 0.000 0.000) 0.000 28.162 ( 0.000 0.000 0.000) 0.000 28.378 ( 0.000 0.000 0.000) 0.000 28.378 ( 0.000 0.000 0.000) 0.000 33.431 ( 0.000 0.000 0.000) 0.000 33.432 ( 0.000 0.000 0.000) 0.000 36.530 ( 0.000 0.000 0.000) 0.000 36.530 ( 0.000 0.000 0.000) 0.000 36.789 ( 0.000 0.000 0.000) 0.000 36.789 ( 0.000 0.000 0.000) 0.000 41.661 ( 0.000 0.000 0.000) 0.000 41.661 ( 0.000 0.000 0.000) 0.000 41.811 ( 0.000 0.000 0.000) 0.000 41.811 ( 0.000 0.000 0.000) 0.000 44.457 ( 0.000 0.000 0.000) 0.000 45.218 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 9.752 1.946 22.469) 24.571 0.397 ( 11.597 10.855 16.228) 22.708 0.747 ( 36.922 20.320 -2.960) 42.248 2.722 ( -4.769 -2.827 -0.589) 5.575 2.779 ( -7.596 -0.988 -1.022) 7.728 2.810 ( -0.797 -4.541 -5.980) 7.551 3.251 ( -3.812 -4.039 -4.961) 7.447 3.323 ( 2.085 2.737 0.841) 3.541 3.396 ( -3.923 -8.443 12.452) 15.548 3.605 ( 3.413 -4.185 -4.638) 7.118 3.772 ( -13.619 5.526 0.119) 14.698 3.856 ( -0.156 3.868 -0.211) 3.877 3.936 ( 4.453 2.925 -8.389) 9.938 4.037 ( -5.096 -10.411 9.568) 15.030 4.244 ( -1.539 -6.100 1.501) 6.468 4.311 ( -4.929 8.055 -1.532) 9.566 5.570 ( -1.187 0.053 -3.244) 3.455 5.663 ( 5.752 -0.105 0.703) 5.796 5.771 ( -1.660 -1.843 3.281) 4.113 6.080 ( 6.227 3.705 -14.726) 16.413 6.546 ( -4.688 -4.300 1.762) 6.601 6.871 ( -4.483 3.888 -1.747) 6.186 6.996 ( 8.567 4.729 0.253) 9.789 7.349 ( 2.970 -0.431 3.155) 4.354 7.809 ( -2.642 -1.310 -23.054) 23.242 8.938 ( -11.124 -6.101 5.842) 13.968 9.180 ( -9.250 -7.172 38.064) 39.822 11.696 ( 2.601 1.429 0.089) 2.969 11.778 ( -2.959 -1.983 0.156) 3.565 11.822 ( 0.909 0.372 -0.072) 0.985 12.114 ( 1.936 1.852 -8.777) 9.177 14.001 ( -5.209 -1.071 -0.123) 5.319 14.068 ( 2.555 -0.413 -0.838) 2.720 14.153 ( -4.403 -1.976 0.324) 4.838 14.212 ( 0.511 -0.548 -1.184) 1.401 17.518 ( 7.916 4.694 -0.803) 9.238 17.602 ( 7.377 4.283 0.664) 8.556 18.589 ( -6.160 -3.584 -0.597) 7.152 18.719 ( -8.392 -4.852 -0.050) 9.693 19.549 ( -2.070 -1.003 0.764) 2.424 19.574 ( 0.585 0.012 0.404) 0.712 20.122 ( -0.031 -0.483 -0.732) 0.878 20.131 ( 0.076 0.671 -0.034) 0.676 20.273 ( -7.131 -4.145 28.634) 29.798 21.469 ( -0.725 -0.422 0.318) 0.897 22.518 ( -0.174 -0.093 0.004) 0.198 22.534 ( 0.164 0.097 -0.085) 0.208 28.189 ( 2.803 1.084 -0.283) 3.018 28.320 ( 4.516 3.219 -1.382) 5.716 28.408 ( 2.710 1.903 -0.150) 3.315 28.435 ( 5.276 2.656 0.221) 5.911 33.429 ( -0.106 -0.041 -0.178) 0.211 33.432 ( -0.082 -0.068 0.173) 0.203 36.521 ( -1.415 1.354 -1.040) 2.217 36.540 ( 0.711 0.490 0.769) 1.156 36.791 ( 1.393 -1.202 -1.042) 2.114 38.099 ( 3.809 1.577 -19.112) 19.552 41.654 ( 0.006 0.353 -2.326) 2.353 41.808 ( 0.484 -2.031 1.025) 2.325 41.870 ( 4.327 4.011 1.136) 6.009 44.435 ( 12.118 7.812 -45.653) 47.875 44.454 ( 9.257 5.249 -44.487) 45.742 45.221 ( 1.286 0.729 -3.409) 3.716 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 6.253 3.241 20.308) 21.494 0.732 ( 11.126 2.806 11.577) 16.300 1.456 ( 33.544 19.543 -3.903) 39.018 2.519 ( -14.432 -2.377 0.017) 14.626 2.645 ( -3.857 -6.905 -3.073) 8.485 2.748 ( -0.981 -3.368 -2.522) 4.321 3.053 ( -8.960 -6.398 -4.343) 11.835 3.318 ( -7.650 -5.973 4.550) 10.719 3.365 ( 0.396 0.416 -1.757) 1.848 3.526 ( -3.820 -5.857 -7.265) 10.083 3.653 ( -0.169 -0.323 1.805) 1.841 3.863 ( -5.103 1.790 -1.919) 5.738 3.890 ( 0.270 -0.984 -1.937) 2.189 3.969 ( -4.432 -1.816 4.804) 6.784 4.166 ( -7.176 -1.947 4.496) 8.689 4.369 ( 2.627 9.089 1.652) 9.604 5.475 ( -7.974 -1.631 -6.091) 10.166 5.735 ( 0.236 0.270 1.238) 1.289 5.795 ( 7.630 -6.376 6.023) 11.625 6.095 ( 1.173 2.886 -8.579) 9.127 6.413 ( -5.184 -6.318 -3.297) 8.813 6.809 ( -6.348 2.744 -2.637) 7.402 7.196 ( 7.872 6.175 1.420) 10.105 7.413 ( 1.621 0.118 4.250) 4.551 7.615 ( -3.578 -3.913 -3.021) 6.102 8.723 ( -10.633 -3.567 -6.576) 13.001 9.186 ( -5.622 -6.966 21.982) 23.735 11.690 ( -4.245 -1.198 -0.583) 4.449 11.774 ( 3.814 0.397 0.403) 3.856 11.849 ( 1.785 0.899 0.961) 2.218 12.106 ( 0.765 1.413 -4.792) 5.054 13.897 ( -6.118 -0.704 -0.062) 6.159 14.051 ( -5.605 -1.945 0.657) 5.969 14.107 ( 3.480 -0.891 -1.592) 3.929 14.201 ( 0.211 -1.448 -1.371) 2.006 17.681 ( 6.007 4.001 -1.011) 7.288 17.779 ( 7.723 4.242 0.895) 8.857 18.447 ( -5.048 -3.556 -0.910) 6.242 18.508 ( -10.539 -5.510 -0.227) 11.895 19.503 ( -2.916 -1.343 1.066) 3.383 19.590 ( 0.954 0.015 0.647) 1.153 20.109 ( -0.176 -0.884 -0.760) 1.179 20.139 ( -0.101 1.001 0.171) 1.020 20.314 ( -1.627 -1.002 12.526) 12.671 21.451 ( -1.176 -0.697 0.391) 1.422 22.516 ( -0.036 0.003 0.001) 0.036 22.538 ( 0.288 0.175 -0.131) 0.362 28.257 ( 4.259 1.775 -0.280) 4.623 28.442 ( 6.583 4.760 -0.138) 8.125 28.484 ( 4.074 2.881 -0.240) 4.996 28.569 ( 7.449 3.591 0.301) 8.275 33.426 ( -0.164 -0.039 -0.137) 0.217 33.430 ( -0.173 -0.151 0.110) 0.254 36.500 ( -2.078 1.938 -1.414) 3.174 36.568 ( 1.262 0.836 1.255) 1.966 36.796 ( 2.025 -1.793 -1.774) 3.235 38.033 ( -1.028 -1.481 -7.921) 8.124 41.640 ( -0.251 0.734 -2.807) 2.912 41.809 ( 1.257 -2.516 1.558) 3.216 42.017 ( 7.391 5.877 1.275) 9.528 44.309 ( 2.653 2.208 -36.043) 36.208 44.417 ( -0.912 -0.004 -2.167) 2.351 45.223 ( 1.315 0.691 -4.583) 4.818 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.394 -3.243 10.647) 11.137 0.928 ( 6.488 -0.856 8.992) 11.121 2.045 ( 24.783 11.916 -4.604) 27.881 2.310 ( -11.022 3.384 1.883) 11.682 2.508 ( -5.906 -8.240 -2.155) 10.364 2.614 ( -3.862 -8.206 0.664) 9.093 2.927 ( -2.982 0.743 -0.592) 3.130 3.091 ( -13.703 1.143 -3.898) 14.292 3.314 ( 1.210 -6.224 -9.450) 11.380 3.468 ( 0.438 -1.755 0.071) 1.810 3.622 ( 2.713 -8.083 -1.238) 8.615 3.759 ( -8.597 -0.962 4.791) 9.889 3.942 ( 8.325 2.733 -0.581) 8.781 3.977 ( -1.738 6.490 1.902) 6.983 4.089 ( -6.855 3.477 4.309) 8.812 4.467 ( -0.114 2.401 2.536) 3.494 5.178 ( -19.457 -8.501 -5.598) 21.958 5.762 ( 3.670 -0.619 1.975) 4.213 5.893 ( 7.297 -7.343 4.464) 11.274 6.076 ( -2.197 3.826 -2.966) 5.316 6.249 ( -4.952 -5.539 -5.253) 9.100 6.677 ( -7.934 -1.666 -2.631) 8.523 7.315 ( -1.520 8.538 4.331) 9.693 7.479 ( 5.058 -3.477 4.565) 7.650 7.667 ( 10.506 3.835 -3.693) 11.778 8.460 ( -13.752 -4.358 -5.083) 15.295 9.172 ( -2.710 -4.897 11.275) 12.587 11.619 ( -2.975 -0.681 -0.292) 3.065 11.813 ( 1.145 -0.185 -0.667) 1.338 11.918 ( 3.709 1.393 2.516) 4.694 12.104 ( 0.801 1.144 -3.503) 3.771 13.817 ( -3.740 0.295 0.214) 3.758 13.965 ( -4.059 -0.730 0.448) 4.149 14.137 ( 2.251 -0.676 -1.684) 2.892 14.174 ( -0.183 -2.418 -1.118) 2.670 17.701 ( -3.516 -1.555 -0.642) 3.897 17.858 ( -1.339 -0.793 0.759) 1.732 18.356 ( -1.402 -2.449 -0.051) 2.822 18.428 ( 2.279 2.771 -1.115) 3.757 19.456 ( -2.397 -1.064 0.891) 2.770 19.609 ( 0.892 0.014 0.598) 1.074 20.094 ( -0.196 -0.823 -0.562) 1.016 20.147 ( -0.196 0.864 0.173) 0.903 20.356 ( -0.134 -0.135 6.173) 6.176 21.428 ( -1.104 -0.668 0.239) 1.313 22.518 ( 0.177 0.137 0.001) 0.224 22.544 ( 0.291 0.180 -0.117) 0.362 28.337 ( 3.763 1.628 -0.155) 4.103 28.569 ( 3.478 2.590 -0.264) 4.345 28.585 ( 5.842 4.271 0.197) 7.239 28.710 ( 6.095 2.724 0.256) 6.681 33.422 ( -0.144 -0.020 -0.080) 0.166 33.426 ( -0.201 -0.167 0.041) 0.264 36.477 ( -1.758 1.630 -1.079) 2.629 36.605 ( 1.335 0.842 1.206) 1.986 36.798 ( 1.672 -1.607 -1.739) 2.898 37.952 ( -2.297 -2.032 -3.683) 4.793 41.625 ( -0.307 0.383 -1.945) 2.006 41.821 ( 1.445 -1.561 1.198) 2.441 42.199 ( 7.588 5.486 1.170) 9.436 44.138 ( -2.690 -0.998 -17.531) 17.764 44.388 ( -1.307 -0.161 -1.112) 1.723 45.217 ( 0.717 0.310 -3.657) 3.740 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -3.334 -7.300 1.266) 8.124 1.061 ( 2.542 2.246 5.036) 6.072 2.152 ( -3.235 -1.262 -1.810) 3.916 2.310 ( -4.731 -5.487 1.146) 7.335 2.458 ( 12.588 5.113 0.268) 13.590 2.617 ( 1.748 4.387 -1.798) 5.053 2.783 ( -10.172 -4.283 0.903) 11.074 2.961 ( -3.461 -3.876 0.025) 5.196 3.271 ( 2.600 4.721 -8.157) 9.777 3.455 ( -0.563 -2.158 1.829) 2.884 3.641 ( 5.728 -0.680 -5.082) 7.688 3.676 ( -5.920 1.131 5.758) 8.335 3.994 ( -0.084 1.402 0.079) 1.407 4.035 ( -2.742 0.202 1.600) 3.181 4.217 ( 16.013 6.793 3.126) 17.673 4.444 ( -3.829 -2.368 2.476) 5.138 4.717 ( -21.346 -9.004 -4.507) 23.602 5.863 ( 3.743 4.776 1.774) 6.322 5.936 ( 8.209 -10.670 -1.663) 13.565 6.046 ( -8.303 2.808 5.063) 10.122 6.125 ( -1.303 -0.397 -5.229) 5.403 6.555 ( -3.281 -1.119 -1.511) 3.781 7.392 ( -0.266 5.011 2.194) 5.477 7.530 ( 2.088 -2.159 1.724) 3.463 7.889 ( 14.247 4.943 -2.035) 15.217 8.168 ( -15.063 -5.201 -1.603) 16.016 9.161 ( -0.794 -1.723 3.415) 3.906 11.586 ( -0.903 -0.033 -0.094) 0.909 11.814 ( 0.079 -0.191 -0.265) 0.336 11.989 ( 1.916 0.574 1.573) 2.544 12.103 ( 0.277 0.441 -1.782) 1.856 13.788 ( -1.001 0.411 0.220) 1.105 13.922 ( -1.385 0.006 0.147) 1.392 14.133 ( -0.565 -0.179 -1.060) 1.215 14.158 ( 0.913 -1.458 -0.189) 1.731 17.617 ( -2.889 -1.516 -0.223) 3.271 17.794 ( -2.849 -1.591 0.297) 3.277 18.366 ( 1.427 0.313 -0.042) 1.461 18.495 ( 2.236 1.714 -0.430) 2.850 19.427 ( -0.913 -0.399 0.350) 1.056 19.623 ( 0.365 0.007 0.244) 0.439 20.084 ( -0.084 -0.334 -0.209) 0.403 20.151 ( -0.098 0.339 0.069) 0.360 20.381 ( 0.073 0.022 1.920) 1.921 21.412 ( -0.455 -0.279 0.066) 0.538 22.521 ( 0.120 0.087 0.001) 0.148 22.548 ( 0.125 0.078 -0.047) 0.154 28.389 ( 1.496 0.656 -0.045) 1.634 28.624 ( 1.360 1.001 -0.097) 1.691 28.681 ( 2.314 1.781 0.092) 2.921 28.795 ( 2.306 0.949 0.105) 2.496 33.420 ( -0.057 -0.005 -0.023) 0.061 33.423 ( -0.092 -0.073 0.004) 0.117 36.464 ( -0.680 0.638 -0.385) 1.008 36.633 ( 0.602 0.366 0.513) 0.872 36.798 ( 0.631 -0.658 -0.737) 1.172 37.893 ( -1.132 -0.910 -1.107) 1.827 41.616 ( -0.103 0.080 -0.649) 0.662 41.835 ( 0.626 -0.470 0.419) 0.888 42.333 ( 3.408 2.354 0.555) 4.179 44.014 ( -1.822 -0.834 -5.555) 5.905 44.366 ( -0.634 -0.106 -0.296) 0.708 45.209 ( 0.198 0.062 -1.382) 1.397 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.151 ( 3.910 16.100 -4.392) 17.140 0.429 ( -0.597 5.412 26.482) 27.036 0.915 ( -0.950 38.658 13.556) 40.977 2.676 ( -3.820 -10.537 -7.475) 13.472 2.747 ( 1.321 -2.844 -1.289) 3.390 2.832 ( 3.089 -1.588 -4.305) 5.532 3.247 ( -3.852 -3.175 -2.450) 5.561 3.310 ( 3.371 1.996 -1.161) 4.086 3.407 ( -3.692 -13.054 9.825) 16.751 3.534 ( -9.928 -5.228 -6.145) 12.793 3.758 ( 6.248 -0.154 -10.229) 11.987 3.855 ( -0.387 1.896 -0.622) 2.032 3.902 ( 8.732 -0.596 7.324) 11.412 4.134 ( -5.487 -4.196 3.923) 7.944 4.283 ( 4.009 -3.423 3.787) 6.491 4.363 ( 3.545 1.495 4.182) 5.683 5.539 ( 1.490 -1.620 -5.699) 6.109 5.631 ( -4.796 1.920 -1.405) 5.354 5.813 ( -2.300 0.006 5.284) 5.763 5.987 ( 1.801 13.556 -15.745) 20.855 6.536 ( -2.298 -9.289 -1.172) 9.641 6.898 ( 6.307 1.837 -2.539) 7.043 6.986 ( 2.958 6.914 0.556) 7.540 7.342 ( -5.412 1.460 1.430) 5.785 7.702 ( 1.227 10.923 -16.380) 19.726 8.953 ( 0.265 -15.960 1.607) 16.043 9.410 ( -1.814 -32.333 42.847) 53.708 11.696 ( -0.237 2.994 0.113) 3.005 11.772 ( -1.180 -3.852 -0.563) 4.068 11.822 ( 0.456 0.865 -0.105) 0.983 12.045 ( 1.239 7.898 -11.885) 14.323 14.001 ( -2.364 -5.178 0.004) 5.692 14.074 ( 2.682 2.059 -0.432) 3.408 14.143 ( 0.448 -4.611 -0.626) 4.675 14.216 ( -1.005 0.785 -0.385) 1.332 17.511 ( 0.208 9.230 -1.379) 9.335 17.608 ( -0.043 8.558 1.190) 8.640 18.584 ( -0.021 -7.537 -0.463) 7.551 18.718 ( -0.060 -9.764 -0.179) 9.766 19.559 ( 0.891 -0.982 0.141) 1.334 19.571 ( -1.029 -0.214 0.687) 1.256 20.115 ( -0.480 -1.010 -0.436) 1.201 20.135 ( 0.552 0.458 0.632) 0.956 20.492 ( 0.060 -25.136 36.877) 44.629 21.473 ( -0.005 -1.040 0.973) 1.425 22.518 ( 0.004 -0.214 -0.009) 0.214 22.533 ( 0.003 0.179 -0.148) 0.232 28.197 ( -1.371 3.178 0.507) 3.498 28.304 ( 1.554 6.817 -2.484) 7.420 28.404 ( 0.796 3.264 -0.634) 3.419 28.433 ( -0.983 5.782 0.202) 5.869 33.428 ( 0.019 -0.129 -0.197) 0.236 33.434 ( -0.021 -0.088 0.191) 0.212 36.424 ( 1.873 -3.038 -8.054) 8.809 36.541 ( 0.418 1.008 0.360) 1.149 36.910 ( -1.926 4.261 8.637) 9.822 37.917 ( -0.959 18.811 -31.990) 37.124 41.671 ( -0.012 1.810 -0.973) 2.055 41.799 ( -2.233 -1.873 0.892) 3.047 41.868 ( 1.507 5.868 0.461) 6.076 43.750 ( 1.259 72.841 -110.462) 132.322 44.460 ( -0.023 -1.007 1.747) 2.017 45.206 ( -0.055 -0.355 -1.508) 1.550 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 18.781 0.841 9.901) 21.247 0.702 ( 6.939 5.685 19.511) 21.474 1.366 ( 9.082 33.216 5.245) 34.832 2.509 ( 1.020 -10.152 -5.625) 11.651 2.722 ( -0.633 -3.376 -0.644) 3.495 2.741 ( -9.137 0.083 -6.077) 10.974 3.094 ( -7.482 -5.750 -3.561) 10.086 3.250 ( -2.124 -9.414 -3.089) 10.133 3.382 ( 2.879 -5.798 0.784) 6.520 3.429 ( 1.364 -3.483 2.091) 4.286 3.642 ( -5.841 -7.267 -8.079) 12.336 3.857 ( -0.219 1.021 -2.177) 2.415 4.008 ( -3.298 -1.029 3.493) 4.912 4.116 ( 0.332 0.739 8.467) 8.506 4.230 ( -6.505 0.499 3.663) 7.482 4.424 ( 0.918 0.740 5.054) 5.190 5.500 ( -1.532 -1.658 -5.998) 6.408 5.641 ( 5.348 1.504 -3.648) 6.646 5.761 ( -3.438 -5.656 2.878) 7.218 6.054 ( 2.555 5.106 -6.901) 8.956 6.384 ( -4.128 -6.200 -4.885) 8.907 6.954 ( -4.662 2.991 -0.791) 5.595 7.090 ( 6.401 5.582 -1.933) 8.710 7.363 ( 6.490 -0.670 1.728) 6.749 7.694 ( -5.318 3.047 0.250) 6.135 8.773 ( -5.949 -9.325 -3.314) 11.547 9.305 ( -5.439 -20.341 24.104) 32.005 11.700 ( -1.627 -4.921 -1.196) 5.319 11.743 ( 1.962 3.325 0.032) 3.861 11.853 ( 1.602 2.152 0.462) 2.722 12.064 ( 1.237 2.987 -6.378) 7.151 13.934 ( 0.430 -5.766 -1.928) 6.095 14.076 ( -2.491 -0.132 0.494) 2.543 14.090 ( -2.583 -2.750 1.068) 3.921 14.194 ( -1.514 0.855 -1.416) 2.243 17.635 ( 4.333 8.019 -1.112) 9.182 17.740 ( 4.880 8.113 0.950) 9.515 18.472 ( -3.869 -6.995 -0.955) 8.051 18.567 ( -5.681 -10.401 -0.367) 11.857 19.543 ( -2.479 -1.158 1.591) 3.165 19.571 ( 1.325 -0.457 -0.120) 1.407 20.095 ( -0.097 -1.309 -1.010) 1.656 20.151 ( 0.170 0.671 0.906) 1.140 20.447 ( -5.421 -8.601 18.947) 21.502 21.462 ( -0.787 -1.346 0.987) 1.845 22.516 ( -0.017 -0.108 -0.033) 0.114 22.536 ( 0.179 0.278 -0.190) 0.382 28.229 ( 1.745 3.786 -0.535) 4.203 28.408 ( 3.806 6.753 0.240) 7.755 28.486 ( 3.239 5.305 0.222) 6.220 28.504 ( 4.064 6.161 -0.738) 7.418 33.425 ( -0.028 -0.142 -0.172) 0.224 33.432 ( -0.157 -0.158 0.149) 0.268 36.413 ( 5.551 -4.653 -7.001) 10.074 36.567 ( 0.930 1.302 0.991) 1.882 36.908 ( -8.315 7.778 5.719) 12.741 37.918 ( 4.565 2.835 -15.920) 16.802 41.660 ( -1.953 3.201 -2.396) 4.449 41.769 ( 0.458 -2.824 0.545) 2.912 41.994 ( 5.046 7.722 1.927) 9.424 43.889 ( 18.145 25.629 -61.136) 68.729 44.447 ( -2.041 -1.650 3.040) 4.016 45.190 ( 0.332 -0.468 -2.778) 2.837 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 8.204 0.006 6.001) 10.164 0.921 ( 1.337 2.626 21.712) 21.911 1.822 ( 16.426 20.017 -3.278) 26.100 2.441 ( 1.044 -8.164 -3.796) 9.063 2.522 ( -12.689 0.410 -4.094) 13.339 2.625 ( -5.562 -5.925 0.258) 8.130 2.958 ( -2.525 -2.714 0.425) 3.731 3.102 ( 0.925 -13.648 -6.752) 15.255 3.329 ( -10.142 0.653 -1.739) 10.311 3.412 ( 2.393 -0.987 -2.053) 3.304 3.502 ( 2.629 -8.092 1.091) 8.578 3.847 ( -0.011 0.288 -2.956) 2.970 3.922 ( -5.990 -1.411 3.534) 7.096 4.141 ( -6.113 7.292 4.395) 10.481 4.204 ( -1.365 -1.150 4.713) 5.040 4.489 ( 1.498 0.754 2.543) 3.046 5.319 ( -12.618 -7.970 -4.320) 15.537 5.674 ( 0.756 -9.885 0.270) 9.918 5.745 ( 8.426 1.034 -3.358) 9.129 6.032 ( 2.292 -5.817 -7.214) 9.546 6.302 ( -4.628 5.692 1.822) 7.559 6.830 ( -10.696 1.053 -1.597) 10.866 7.246 ( 9.566 -1.341 0.508) 9.673 7.493 ( 7.609 3.356 -1.109) 8.390 7.640 ( -6.897 5.272 6.285) 10.717 8.568 ( -9.133 -5.329 -4.894) 11.652 9.205 ( -2.410 -14.363 13.483) 19.847 11.629 ( -1.287 -3.719 -1.061) 4.076 11.797 ( 1.598 2.183 -0.656) 2.784 11.917 ( 2.108 3.520 2.223) 4.667 12.060 ( 1.071 0.460 -4.501) 4.649 13.877 ( -1.527 -1.336 -3.062) 3.673 14.014 ( -2.966 -3.220 1.430) 4.606 14.066 ( 0.332 -1.547 1.670) 2.300 14.169 ( -1.379 0.654 -1.846) 2.395 17.686 ( -0.842 -3.838 -0.403) 3.950 17.843 ( 1.272 -1.565 0.474) 2.072 18.380 ( -2.111 -0.111 -0.240) 2.127 18.449 ( -0.701 1.689 -1.639) 2.456 19.498 ( -3.123 -1.036 1.612) 3.664 19.589 ( 1.514 -0.491 0.028) 1.591 20.079 ( 0.361 -1.015 -1.172) 1.592 20.161 ( -0.317 0.473 0.903) 1.067 20.424 ( -3.137 -2.656 9.747) 10.578 21.439 ( -1.098 -1.301 0.651) 1.822 22.517 ( 0.145 0.166 -0.059) 0.228 22.541 ( 0.272 0.366 -0.171) 0.487 28.302 ( 3.324 3.720 -0.765) 5.047 28.532 ( 4.392 4.341 1.626) 6.386 28.582 ( 2.220 7.567 -0.712) 7.918 28.639 ( 6.619 3.942 -0.199) 7.707 33.422 ( -0.055 -0.134 -0.136) 0.198 33.428 ( -0.228 -0.187 0.097) 0.311 36.408 ( 4.436 -4.990 -5.666) 8.757 36.601 ( 1.050 1.357 0.831) 1.907 36.894 ( -6.944 8.959 4.013) 12.024 37.892 ( 2.108 -2.849 -7.589) 8.376 41.642 ( -1.772 2.950 -2.668) 4.354 41.774 ( 2.443 -2.719 1.226) 3.855 42.168 ( 5.816 8.537 1.924) 10.507 43.940 ( 9.518 6.805 -34.008) 35.964 44.412 ( -2.784 -2.027 3.441) 4.868 45.177 ( 1.210 -0.726 -3.251) 3.544 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -6.893 4.910 11.751) 14.481 1.081 ( 0.666 1.261 11.667) 11.753 2.122 ( 6.429 4.516 -5.534) 9.610 2.270 ( -2.611 -8.493 -3.774) 9.653 2.376 ( 0.001 -1.138 -1.663) 2.015 2.578 ( 2.369 -2.319 -1.151) 3.510 2.856 ( -6.482 -8.137 0.868) 10.440 2.972 ( -0.611 -6.548 -4.187) 7.796 3.259 ( -1.734 7.560 0.394) 7.767 3.465 ( 2.621 -0.765 2.872) 3.963 3.505 ( 4.411 -2.037 -3.058) 5.741 3.800 ( -4.585 0.793 2.774) 5.417 3.911 ( 4.122 -3.026 -1.405) 5.303 4.129 ( -6.305 4.800 1.348) 8.038 4.215 ( -0.081 3.674 4.109) 5.513 4.466 ( -1.739 -4.655 0.073) 4.970 4.953 ( -20.584 -6.951 -4.697) 22.228 5.642 ( 9.800 -12.583 -1.554) 16.025 5.853 ( 5.161 3.513 -3.766) 7.291 6.013 ( 5.453 -3.896 -2.317) 7.091 6.298 ( -9.200 7.057 7.408) 13.759 6.663 ( -9.388 1.808 -1.186) 9.634 7.326 ( 4.681 -6.532 0.019) 8.037 7.602 ( -1.142 7.837 -0.527) 7.937 7.722 ( 9.412 4.589 1.956) 10.652 8.329 ( -12.375 -5.080 -1.875) 13.508 9.145 ( 0.208 -8.884 5.458) 10.429 11.585 ( -0.456 -1.701 -0.908) 1.982 11.821 ( 0.134 1.253 -0.281) 1.291 11.992 ( 0.998 2.872 2.637) 4.025 12.057 ( 2.473 -1.249 -3.397) 4.384 13.833 ( -2.378 1.991 -2.210) 3.808 13.959 ( -2.739 -0.915 1.119) 3.097 14.084 ( 3.567 -3.568 1.155) 5.176 14.143 ( -1.267 0.804 -1.107) 1.864 17.583 ( -1.617 -9.756 -0.200) 9.892 17.765 ( -1.374 -10.422 0.267) 10.515 18.411 ( -0.528 7.551 0.752) 7.606 18.511 ( 1.695 8.127 -2.272) 8.607 19.455 ( -2.525 -0.565 1.215) 2.858 19.606 ( 1.257 -0.515 -0.228) 1.377 20.074 ( 0.614 -0.304 -0.806) 1.058 20.161 ( -0.628 -0.063 0.782) 1.005 20.414 ( -2.112 -0.958 4.425) 4.995 21.417 ( -0.750 -0.863 0.286) 1.178 22.521 ( 0.154 0.306 -0.074) 0.351 22.547 ( 0.173 0.361 -0.097) 0.412 28.374 ( 2.322 3.123 -0.812) 3.976 28.622 ( 1.772 2.044 2.145) 3.452 28.671 ( 1.887 5.144 -1.076) 5.583 28.755 ( 4.501 2.123 -0.120) 4.978 33.420 ( -0.024 -0.117 -0.105) 0.159 33.424 ( -0.173 -0.124 0.075) 0.225 36.394 ( 3.667 -4.954 -4.003) 7.349 36.628 ( 0.644 0.809 0.049) 1.035 36.903 ( -5.848 9.498 3.595) 11.719 37.853 ( 1.707 -3.757 -3.256) 5.257 41.630 ( -1.128 2.475 -1.537) 3.124 41.800 ( 2.522 -2.020 0.951) 3.368 42.326 ( 3.412 6.649 1.158) 7.562 43.921 ( 5.711 1.086 -16.881) 17.854 44.374 ( -2.023 -2.065 2.459) 3.796 45.176 ( 1.931 -0.922 -1.972) 2.910 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -6.821 10.910 14.090) 19.081 1.061 ( -7.088 -2.539 0.220) 7.532 2.101 ( 0.918 -2.509 -5.559) 6.168 2.217 ( 6.756 -0.663 -2.966) 7.408 2.515 ( 6.769 -0.339 2.080) 7.089 2.570 ( 3.486 -5.462 -2.380) 6.903 2.675 ( -3.535 -4.720 -2.165) 6.282 2.966 ( 1.584 2.639 -1.412) 3.386 3.307 ( 0.025 -1.049 8.610) 8.673 3.487 ( -0.888 -0.993 4.172) 4.379 3.541 ( 4.223 0.520 -4.407) 6.126 3.764 ( -5.143 1.023 4.717) 7.053 3.913 ( 3.706 -8.448 -1.305) 9.317 4.038 ( -5.415 1.199 -1.787) 5.827 4.352 ( 1.060 2.274 -3.707) 4.476 4.448 ( 0.020 0.405 -0.108) 0.420 4.597 ( -6.015 4.910 -1.739) 7.956 5.707 ( 11.182 -8.508 -4.932) 14.891 5.927 ( 3.392 3.699 -3.022) 5.859 6.080 ( 5.694 -2.869 2.927) 7.016 6.207 ( -12.389 3.266 6.483) 14.358 6.614 ( -2.906 7.837 2.170) 8.636 7.279 ( 0.625 -10.209 -3.105) 10.689 7.619 ( -3.521 6.090 -1.314) 7.157 7.954 ( 10.731 1.402 -0.934) 10.863 8.106 ( -8.747 -0.885 3.673) 9.528 9.114 ( 1.450 -4.897 -0.664) 5.150 11.568 ( 0.278 -0.806 -0.784) 1.158 11.832 ( -0.204 1.409 0.540) 1.523 12.007 ( -1.378 0.891 -1.779) 2.421 12.080 ( 2.558 -2.067 1.397) 3.573 13.806 ( -2.283 2.422 -1.250) 3.555 13.926 ( -1.566 0.203 0.175) 1.588 14.118 ( 3.360 -3.564 1.509) 5.125 14.145 ( 0.744 1.842 -0.177) 1.995 17.520 ( 4.406 -7.395 0.174) 8.610 17.697 ( 4.463 -8.342 -0.110) 9.462 18.453 ( -3.770 6.464 1.109) 7.565 18.562 ( -2.953 6.815 -1.835) 7.651 19.430 ( -0.968 0.067 0.559) 1.120 19.614 ( 0.645 -0.520 -0.705) 1.088 20.082 ( 0.652 0.476 -0.287) 0.857 20.152 ( -0.602 -0.703 0.711) 1.167 20.392 ( -2.057 -0.532 0.625) 2.215 21.408 ( 0.070 -0.254 0.072) 0.273 22.524 ( -0.107 0.207 -0.069) 0.243 22.550 ( -0.084 0.231 -0.006) 0.246 28.409 ( -0.400 2.154 -0.825) 2.341 28.648 ( -1.238 -0.452 2.202) 2.566 28.701 ( -1.177 1.601 -1.042) 2.243 28.806 ( 0.524 0.343 -0.291) 0.690 33.419 ( 0.067 -0.083 -0.057) 0.121 33.422 ( -0.007 -0.006 0.059) 0.060 36.387 ( 3.583 -4.551 -2.119) 6.168 36.632 ( -0.272 -0.158 -0.977) 1.026 36.922 ( -5.674 9.241 3.585) 11.421 37.851 ( 3.460 -2.524 -0.721) 4.343 41.632 ( -0.683 2.438 -0.362) 2.558 41.820 ( 1.520 -1.559 0.207) 2.188 42.379 ( -2.642 2.125 -0.021) 3.390 43.962 ( 7.484 1.397 -4.208) 8.699 44.349 ( -0.120 -2.107 1.426) 2.547 45.196 ( 2.115 -0.750 0.364) 2.273 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -11.192 -1.235 -6.797) 13.152 0.960 ( -4.882 1.089 3.857) 6.316 2.119 ( 8.526 0.770 -3.329) 9.185 2.318 ( -11.321 -8.643 2.680) 14.493 2.426 ( 6.027 4.103 -3.341) 8.020 2.617 ( 5.393 5.941 0.863) 8.070 2.805 ( 13.682 1.301 -3.831) 14.268 2.943 ( 0.567 -10.002 6.849) 12.136 3.405 ( 3.169 2.257 6.781) 7.818 3.490 ( -0.472 -0.118 3.246) 3.282 3.606 ( 3.267 2.961 -2.849) 5.249 3.766 ( -1.221 9.736 3.217) 10.326 3.891 ( 3.380 -7.205 0.236) 7.962 3.982 ( -0.794 0.445 -4.569) 4.658 4.084 ( -13.601 -4.228 -3.460) 14.658 4.435 ( -0.868 -1.185 -2.435) 2.843 4.937 ( 22.846 7.646 3.716) 24.376 5.734 ( 3.812 -4.283 -5.311) 7.816 5.975 ( 1.966 -1.369 -0.171) 2.402 6.067 ( -5.561 7.287 -6.283) 11.113 6.222 ( 5.736 -2.422 9.499) 11.358 6.704 ( -0.034 9.472 5.377) 10.892 7.160 ( 0.854 -10.659 -4.178) 11.480 7.590 ( -4.857 5.479 -3.307) 8.034 7.825 ( -11.762 -5.414 1.367) 13.020 8.308 ( 14.731 5.075 5.394) 16.488 9.085 ( 1.796 -2.801 -6.333) 7.154 11.575 ( 2.068 -0.179 -0.604) 2.162 11.845 ( -0.797 1.657 1.158) 2.173 11.958 ( -3.433 0.275 -2.987) 4.559 12.099 ( 1.189 -3.007 2.710) 4.219 13.800 ( -0.302 3.081 -0.785) 3.194 13.924 ( 1.213 0.524 0.011) 1.321 14.136 ( 1.794 -4.088 1.628) 4.752 14.184 ( 1.483 1.974 0.354) 2.495 17.588 ( 9.172 -3.401 0.592) 9.801 17.756 ( 9.383 -4.023 -0.343) 10.215 18.423 ( -5.748 3.374 0.915) 6.728 18.518 ( -7.219 4.298 -1.009) 8.462 19.435 ( 0.916 0.625 -0.005) 1.109 19.608 ( -0.042 -0.489 -1.066) 1.174 20.097 ( 0.562 0.944 -0.046) 1.100 20.141 ( -0.335 -1.118 0.860) 1.449 20.348 ( -2.435 -0.425 -2.234) 3.332 21.415 ( 0.871 0.167 -0.044) 0.888 22.521 ( -0.319 0.052 -0.043) 0.326 22.549 ( -0.323 0.062 0.055) 0.333 28.389 ( -3.362 1.228 -0.857) 3.680 28.603 ( -3.770 -3.965 2.217) 5.903 28.657 ( -4.827 0.987 -0.896) 5.008 28.771 ( -4.114 -1.183 -0.518) 4.312 33.420 ( 0.170 -0.058 0.029) 0.182 33.424 ( 0.157 0.102 -0.003) 0.188 36.399 ( 3.665 -3.656 -0.228) 5.182 36.607 ( -1.039 -0.872 -1.693) 2.169 36.931 ( -5.778 7.472 3.179) 9.966 37.907 ( 5.520 -0.688 0.683) 5.605 41.646 ( -0.512 2.511 0.727) 2.664 41.821 ( 0.541 -1.254 -1.094) 1.750 42.288 ( -8.294 -1.889 -0.271) 8.511 44.126 ( 10.136 3.585 4.327) 11.589 44.353 ( 2.149 -2.522 1.388) 3.592 45.229 ( 1.505 -0.440 2.519) 2.967 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -13.797 -4.115 -9.754) 17.391 0.811 ( -9.368 -5.399 -5.232) 12.012 1.904 ( -30.987 -5.634 2.186) 31.570 2.321 ( 13.378 5.926 -0.713) 14.649 2.599 ( 10.465 0.890 1.800) 10.656 2.741 ( 3.008 -2.331 1.799) 4.209 2.970 ( 11.118 4.608 0.455) 12.043 3.076 ( 15.006 0.678 -2.057) 15.161 3.439 ( -3.479 -2.233 3.385) 5.343 3.497 ( -0.357 1.500 -2.558) 2.987 3.611 ( 5.029 -5.470 -1.866) 7.661 3.824 ( -0.422 4.016 0.302) 4.049 3.936 ( -2.315 0.993 -0.269) 2.533 3.982 ( 3.788 -2.752 3.103) 5.617 4.062 ( 6.537 16.358 3.297) 17.922 4.332 ( -4.571 -8.639 -2.103) 9.998 5.328 ( 17.444 -0.390 6.375) 18.576 5.704 ( 0.903 -2.718 -3.719) 4.694 5.913 ( -6.652 3.671 -8.069) 11.083 6.105 ( 4.317 2.429 2.090) 5.376 6.347 ( 6.834 -1.368 2.989) 7.584 6.804 ( 0.423 3.930 4.806) 6.223 7.116 ( 4.256 -4.996 -1.095) 6.654 7.520 ( -8.787 7.233 -5.943) 12.840 7.638 ( -4.292 -5.880 3.682) 8.159 8.616 ( 13.774 3.666 8.413) 16.551 9.029 ( 1.582 -2.583 -12.634) 12.992 11.625 ( 4.359 0.771 -0.294) 4.437 11.831 ( -3.530 -0.074 0.397) 3.553 11.886 ( -3.323 0.825 -1.808) 3.871 12.108 ( 1.090 -2.115 2.627) 3.545 13.853 ( 2.906 5.279 -0.472) 6.044 13.977 ( 4.567 1.042 0.157) 4.687 14.115 ( 0.334 -6.233 1.437) 6.405 14.216 ( 0.517 1.084 -0.032) 1.201 17.690 ( 3.767 -1.740 0.790) 4.224 17.834 ( 0.749 -1.277 -0.348) 1.521 18.401 ( 2.253 0.305 0.317) 2.295 18.456 ( -1.989 3.773 -0.228) 4.272 19.467 ( 2.381 0.746 -0.176) 2.501 19.593 ( -0.478 -0.395 -1.028) 1.201 20.113 ( 0.513 0.738 -0.273) 0.939 20.135 ( -0.169 -0.889 1.331) 1.609 20.282 ( -3.011 -0.318 -3.886) 4.926 21.434 ( 1.275 0.233 -0.104) 1.300 22.517 ( -0.197 0.014 -0.010) 0.197 22.543 ( -0.397 -0.026 0.059) 0.402 28.324 ( -5.050 0.656 -0.949) 5.180 28.499 ( -5.630 -4.366 1.708) 7.326 28.572 ( -6.690 1.084 0.084) 6.778 28.659 ( -7.482 -1.744 -0.847) 7.729 33.423 ( 0.242 -0.032 0.088) 0.260 33.428 ( 0.187 0.107 -0.068) 0.226 36.432 ( 3.398 -2.188 1.500) 4.311 36.569 ( -1.086 -1.004 -1.700) 2.254 36.913 ( -5.396 4.453 1.545) 7.165 38.006 ( 6.181 0.284 1.246) 6.311 41.668 ( -0.671 2.539 1.680) 3.117 41.804 ( 0.526 -1.453 -2.786) 3.185 42.116 ( -10.237 -2.570 0.561) 10.569 44.354 ( 5.808 6.321 0.776) 8.619 44.402 ( 8.666 -4.753 9.447) 13.673 45.259 ( 0.205 -0.230 3.276) 3.291 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( -14.337 -0.770 -1.571) 14.444 0.570 ( -14.599 -0.729 0.097) 14.618 1.325 ( -40.002 0.420 -0.718) 40.011 2.582 ( 13.068 5.743 -2.317) 14.461 2.734 ( 3.882 1.855 -0.354) 4.317 2.768 ( 6.553 -10.983 4.498) 13.557 3.169 ( 12.369 -1.878 -3.724) 13.053 3.254 ( 4.688 3.842 -1.885) 6.347 3.353 ( -2.796 -2.269 1.686) 3.976 3.520 ( 4.035 6.625 -7.343) 10.681 3.737 ( 11.274 -2.949 3.895) 12.287 3.880 ( 0.369 2.245 5.969) 6.388 3.916 ( 2.523 1.606 -4.026) 5.015 4.012 ( -3.594 -4.397 0.757) 5.729 4.174 ( 1.093 -8.083 2.056) 8.412 4.314 ( 2.777 10.151 3.980) 11.252 5.537 ( 6.376 -1.144 3.460) 7.344 5.684 ( 1.106 -2.516 0.643) 2.822 5.779 ( -5.515 2.303 -8.267) 10.201 6.163 ( -0.875 -0.099 0.263) 0.919 6.456 ( 7.461 -0.309 -1.574) 7.631 6.882 ( 1.804 2.109 5.708) 6.346 7.077 ( -5.950 -2.936 1.901) 6.902 7.399 ( -6.829 3.215 -4.206) 8.641 7.707 ( 13.531 -2.032 1.004) 13.720 8.885 ( 3.916 2.087 13.614) 14.319 8.942 ( 6.796 -2.363 -14.666) 16.335 11.707 ( 4.209 0.976 0.361) 4.336 11.756 ( -3.755 -0.451 -1.256) 3.985 11.847 ( -2.026 -0.360 0.153) 2.063 12.130 ( 1.188 -0.097 0.929) 1.511 13.964 ( 4.314 5.661 -0.789) 7.161 14.060 ( 0.220 -5.278 1.093) 5.395 14.076 ( 5.634 -0.379 0.407) 5.661 14.220 ( -0.097 -0.096 -0.934) 0.944 17.643 ( -8.042 -0.120 0.455) 8.056 17.733 ( -10.287 0.133 -0.244) 10.290 18.487 ( 7.769 -0.192 -0.058) 7.771 18.572 ( 11.502 0.320 -0.091) 11.506 19.513 ( 2.820 0.013 0.233) 2.829 19.577 ( -0.509 -0.014 -0.427) 0.665 20.122 ( 0.596 0.071 -0.736) 0.950 20.136 ( -0.250 -0.090 1.286) 1.313 20.209 ( -3.469 0.017 -0.337) 3.486 21.455 ( 1.197 0.000 -0.012) 1.197 22.516 ( 0.094 0.010 0.006) 0.094 22.538 ( -0.314 0.002 0.004) 0.314 28.244 ( -4.707 0.408 -0.989) 4.827 28.393 ( -5.861 -0.688 1.319) 6.047 28.478 ( -6.162 0.237 0.614) 6.197 28.520 ( -7.764 0.115 -0.945) 7.823 33.427 ( 0.235 -0.016 0.068) 0.245 33.430 ( 0.113 0.018 -0.068) 0.133 36.485 ( 2.576 0.561 2.963) 3.966 36.539 ( -0.569 -0.871 -0.924) 1.392 36.860 ( -4.243 0.284 -1.709) 4.583 38.104 ( 5.269 0.025 -0.806) 5.330 41.681 ( -1.361 1.213 0.463) 1.881 41.785 ( 1.469 -1.457 -2.365) 3.143 41.960 ( -8.679 0.178 1.390) 8.792 44.412 ( 2.564 -0.330 0.265) 2.599 44.628 ( 11.343 0.319 0.540) 11.360 45.264 ( -1.280 0.046 0.033) 1.281 ======================= Grid point 19 (14/125) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -23.756 3.053 9.707) 25.844 0.709 ( -6.437 6.734 21.250) 23.202 1.388 ( -8.287 34.480 5.842) 35.940 2.569 ( 1.684 -6.950 -11.334) 13.401 2.609 ( 5.005 -12.650 -3.008) 13.933 2.728 ( 1.805 -1.824 -0.919) 2.726 3.183 ( 8.441 -4.580 -3.381) 10.182 3.304 ( -3.223 -0.452 -3.687) 4.918 3.380 ( 1.808 -13.962 8.717) 16.558 3.540 ( -3.372 -1.868 -6.879) 7.885 3.638 ( 5.891 -0.473 2.262) 6.328 3.838 ( 1.121 0.308 -0.911) 1.477 3.918 ( 0.353 3.527 -2.576) 4.382 4.112 ( 6.244 -4.930 6.091) 10.020 4.161 ( 0.876 -3.238 2.833) 4.391 4.326 ( 5.367 1.134 3.994) 6.786 5.411 ( 3.331 -8.453 -7.812) 11.983 5.725 ( -4.315 -1.435 3.752) 5.895 5.922 ( -4.015 3.928 2.839) 6.294 5.993 ( -0.365 8.042 -10.731) 13.416 6.441 ( 2.600 -8.375 -2.882) 9.231 6.788 ( 5.159 3.204 -5.513) 8.202 7.079 ( -6.528 2.919 2.033) 7.434 7.456 ( -4.058 3.253 0.373) 5.215 7.660 ( 4.295 1.300 -0.549) 4.521 8.744 ( 7.697 -12.574 -2.350) 14.929 9.363 ( 3.733 -17.777 23.866) 29.993 11.695 ( 1.948 -2.649 -0.790) 3.382 11.780 ( -1.711 2.117 1.131) 2.947 11.848 ( -2.460 1.748 0.309) 3.033 12.030 ( -0.836 2.419 -7.987) 8.387 13.962 ( 5.836 -2.741 -0.748) 6.490 14.041 ( -3.808 -2.440 -0.745) 4.583 14.072 ( 3.310 -3.605 -0.049) 4.894 14.226 ( 0.655 0.985 -0.109) 1.188 17.623 ( -4.111 7.304 -1.371) 8.492 17.746 ( -4.846 8.573 1.015) 9.900 18.474 ( 3.557 -6.988 -0.870) 7.890 18.569 ( 5.892 -10.056 -0.388) 11.661 19.527 ( 1.892 -1.778 0.534) 2.651 19.591 ( -0.823 0.323 0.885) 1.251 20.114 ( -0.968 -1.318 -0.405) 1.685 20.130 ( 1.040 0.428 0.593) 1.272 20.446 ( 5.382 -8.527 18.766) 21.304 21.462 ( 0.772 -1.318 0.995) 1.823 22.516 ( 0.038 -0.108 -0.041) 0.121 22.535 ( -0.174 0.275 -0.193) 0.379 28.266 ( -1.326 5.356 1.263) 5.661 28.361 ( -4.002 4.320 -1.806) 6.160 28.462 ( -3.365 5.339 -1.021) 6.393 28.537 ( -4.079 7.078 0.768) 8.205 33.424 ( 0.066 -0.203 -0.174) 0.275 33.433 ( 0.126 -0.100 0.150) 0.219 36.371 ( -4.492 -5.102 -7.148) 9.864 36.550 ( -0.060 1.814 -0.525) 1.889 36.958 ( 6.314 7.378 7.301) 12.150 37.943 ( -4.697 3.500 -15.192) 16.282 41.654 ( 2.432 2.923 -2.053) 4.321 41.840 ( -1.689 -1.781 3.004) 3.879 41.948 ( -4.521 7.135 0.110) 8.448 43.855 ( -17.794 24.925 -62.671) 69.754 44.446 ( 2.124 -1.616 2.755) 3.836 45.194 ( -0.452 -0.215 -2.468) 2.518 ======================= Grid point 20 (15/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -0.189 22.625 1.838) 22.701 0.863 ( -1.165 6.673 24.686) 25.599 1.650 ( -2.410 27.619 4.121) 28.029 2.373 ( 0.714 -9.951 -5.246) 11.272 2.632 ( 5.924 -10.090 -3.564) 12.231 2.711 ( 0.718 -4.013 -3.092) 5.117 3.120 ( -0.847 -6.979 -2.024) 7.316 3.230 ( -7.871 -8.763 -3.496) 12.286 3.347 ( 0.673 -0.488 2.564) 2.695 3.382 ( -4.454 -3.786 -5.459) 7.999 3.666 ( -2.681 1.034 -2.238) 3.642 3.871 ( -1.372 1.276 -1.928) 2.689 3.968 ( 6.637 -2.077 6.291) 9.378 4.086 ( 0.045 -4.540 1.346) 4.736 4.283 ( 5.612 -3.909 6.528) 9.454 4.442 ( 1.985 0.949 4.688) 5.178 5.368 ( 6.850 -7.142 -8.111) 12.795 5.644 ( -4.154 0.307 0.336) 4.179 5.801 ( -6.669 -4.824 -5.165) 9.717 6.015 ( -1.336 -0.527 -5.842) 6.016 6.385 ( -0.136 0.240 0.211) 0.347 6.909 ( 7.241 2.459 -1.765) 7.849 7.108 ( 1.139 6.973 -1.462) 7.215 7.349 ( -5.448 -2.008 -0.088) 5.807 7.772 ( 1.980 5.729 4.521) 7.562 8.686 ( 1.827 -11.592 -3.226) 12.171 9.305 ( -2.864 -22.192 18.552) 29.066 11.667 ( -1.086 -4.735 -1.663) 5.135 11.774 ( -1.554 3.556 0.352) 3.896 11.836 ( 1.236 1.010 0.003) 1.597 12.047 ( 1.633 4.675 -5.093) 7.104 13.884 ( -3.015 -7.182 -0.483) 7.804 14.018 ( 2.200 -4.531 -0.872) 5.112 14.138 ( 1.997 2.668 -0.306) 3.347 14.224 ( -1.390 0.251 0.067) 1.414 17.676 ( 0.945 9.237 -1.120) 9.352 17.788 ( -0.618 7.200 1.155) 7.319 18.422 ( 0.126 -7.678 -1.106) 7.758 18.500 ( -0.417 -11.989 -0.596) 12.011 19.542 ( 1.540 -1.021 0.181) 1.857 19.579 ( -1.714 -0.290 1.446) 2.261 20.080 ( -0.718 -1.896 -0.906) 2.221 20.155 ( 0.795 0.588 0.885) 1.327 20.511 ( 0.071 -9.631 15.166) 17.966 21.461 ( -0.024 -1.888 1.321) 2.305 22.514 ( 0.002 -0.112 -0.080) 0.138 22.535 ( 0.006 0.330 -0.214) 0.393 28.273 ( -2.537 4.384 0.247) 5.071 28.426 ( 4.053 7.710 -0.063) 8.711 28.474 ( -0.209 5.979 -1.204) 6.103 28.573 ( -1.400 8.639 0.540) 8.769 33.422 ( 0.054 -0.226 -0.154) 0.278 33.433 ( -0.054 -0.149 0.127) 0.203 36.268 ( 1.731 -2.943 -7.358) 8.111 36.576 ( 0.636 1.901 1.079) 2.277 37.107 ( -1.736 5.126 8.363) 9.961 37.824 ( -1.538 4.777 -15.610) 16.397 41.695 ( 0.251 3.002 -2.714) 4.055 41.775 ( -3.678 -2.866 2.642) 5.359 42.027 ( 2.381 10.246 1.549) 10.632 43.613 ( 2.005 26.742 -51.897) 58.417 44.472 ( 0.101 -1.083 3.274) 3.450 45.164 ( -0.356 -1.372 -2.794) 3.133 ======================= Grid point 21 (16/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 7.020 19.293 3.953) 20.907 1.078 ( 1.576 5.610 22.409) 23.154 1.841 ( 3.049 17.359 -3.109) 17.897 2.339 ( 1.219 -5.487 -0.109) 5.622 2.526 ( -0.528 -16.278 -6.470) 17.525 2.657 ( -2.372 -3.273 -1.468) 4.301 2.974 ( -5.442 -8.410 -4.010) 10.790 3.049 ( -8.474 1.981 -1.160) 8.779 3.259 ( 3.566 -2.681 -6.016) 7.490 3.391 ( 3.215 -8.589 2.344) 9.466 3.575 ( -10.526 6.231 1.018) 12.274 3.843 ( -0.740 0.838 -2.727) 2.948 4.013 ( -4.481 -1.497 2.433) 5.314 4.102 ( 7.399 -7.194 5.007) 11.471 4.345 ( -1.928 3.161 4.187) 5.589 4.462 ( 0.672 -4.232 4.757) 6.402 5.330 ( -1.230 -10.998 -4.693) 12.021 5.579 ( -1.366 -10.719 -6.903) 12.822 5.652 ( 0.926 2.415 -2.243) 3.424 5.903 ( -0.302 -5.392 -6.710) 8.613 6.454 ( -1.099 9.471 5.705) 11.111 6.951 ( -4.680 -0.516 -2.218) 5.205 7.129 ( 3.071 2.289 -2.120) 4.378 7.388 ( 7.268 1.099 1.967) 7.609 7.834 ( -4.735 5.406 5.493) 9.045 8.573 ( -2.421 -7.121 -4.663) 8.850 9.172 ( -2.361 -18.152 12.099) 21.942 11.596 ( -0.744 -4.291 -1.096) 4.491 11.795 ( 0.689 2.523 -1.157) 2.860 11.895 ( 3.787 1.427 0.610) 4.093 12.065 ( -1.077 4.043 -2.848) 5.061 13.803 ( 1.074 -5.720 -1.484) 6.006 14.007 ( 1.013 -2.957 0.710) 3.205 14.133 ( -4.055 1.459 -0.192) 4.314 14.200 ( -2.081 0.899 -0.346) 2.293 17.706 ( -4.355 -0.606 -0.140) 4.399 17.819 ( -0.896 -2.543 -0.113) 2.698 18.384 ( 1.691 0.356 -1.022) 2.008 18.419 ( 2.536 -2.932 -0.708) 3.941 19.548 ( -2.289 -0.255 0.454) 2.347 19.562 ( 0.952 -0.895 1.499) 1.988 20.053 ( 0.325 -1.523 -1.402) 2.096 20.173 ( 0.121 0.305 0.916) 0.973 20.500 ( -2.471 -5.046 9.615) 11.136 21.445 ( -0.725 -1.876 1.029) 2.260 22.515 ( 0.183 0.078 -0.109) 0.228 22.539 ( 0.234 0.394 -0.189) 0.496 28.300 ( 0.867 4.389 -0.193) 4.478 28.540 ( 2.017 6.662 -0.369) 6.970 28.571 ( 5.850 4.964 0.367) 7.682 28.644 ( 0.022 8.353 0.250) 8.357 33.420 ( 0.029 -0.221 -0.130) 0.258 33.431 ( -0.195 -0.168 0.094) 0.274 36.251 ( 4.586 -3.593 -6.318) 8.595 36.611 ( 0.477 1.640 1.615) 2.351 37.131 ( -7.128 7.869 6.214) 12.303 37.775 ( 2.330 -0.583 -10.114) 10.395 41.685 ( -1.668 2.659 -3.104) 4.414 41.740 ( -0.378 -1.575 2.357) 2.860 42.191 ( 4.231 10.688 2.502) 11.764 43.624 ( 10.501 11.374 -35.978) 39.167 44.468 ( -2.446 -0.937 4.011) 4.791 45.129 ( 0.566 -1.912 -3.242) 3.806 ======================= Grid point 22 (17/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.017 13.001 4.474) 13.749 1.279 ( -1.822 8.743 21.226) 23.029 2.043 ( 7.013 9.294 -2.455) 11.899 2.223 ( -4.911 -8.798 -4.563) 11.061 2.298 ( -0.662 -16.257 -7.067) 17.739 2.537 ( -4.323 -7.528 1.664) 8.839 2.859 ( 1.485 -2.848 -8.181) 8.789 2.929 ( -9.416 1.438 -0.016) 9.525 3.293 ( 4.118 -3.662 -6.695) 8.672 3.390 ( 5.562 -3.334 7.135) 9.642 3.529 ( -4.741 5.666 1.660) 7.571 3.838 ( -0.672 4.104 -1.328) 4.365 3.936 ( -5.802 -1.135 3.636) 6.940 4.176 ( 5.072 -2.107 1.957) 5.830 4.326 ( -6.934 5.195 2.329) 8.972 4.427 ( -1.718 -9.883 0.609) 10.050 5.104 ( -7.886 -10.809 -1.229) 13.436 5.408 ( 0.076 -13.709 -5.368) 14.723 5.753 ( 7.977 5.529 -5.125) 10.976 5.890 ( 5.034 -1.043 -2.215) 5.598 6.537 ( -5.580 7.576 8.240) 12.507 6.811 ( -8.629 1.646 -2.325) 9.087 7.197 ( 4.940 -4.003 -0.459) 6.375 7.537 ( 8.676 3.638 -0.762) 9.438 7.814 ( -6.172 4.432 3.655) 8.431 8.419 ( -6.815 -5.899 -2.416) 9.332 9.079 ( 0.333 -11.688 5.737) 13.025 11.562 ( 0.504 -2.021 -0.502) 2.143 11.819 ( 0.965 1.140 -1.148) 1.884 11.962 ( 3.995 -1.015 -0.625) 4.169 12.060 ( -2.307 3.990 -0.430) 4.629 13.794 ( 3.878 -2.107 -2.840) 5.248 14.004 ( -1.435 -0.025 1.890) 2.373 14.072 ( -3.106 -1.144 1.244) 3.536 14.173 ( -2.086 1.381 -0.929) 2.669 17.556 ( -6.799 -8.627 0.021) 10.984 17.696 ( -3.803 -11.907 -0.647) 12.516 18.463 ( 3.360 5.838 -0.291) 6.742 18.520 ( 5.594 8.031 -1.039) 9.842 19.504 ( -3.197 -0.522 1.119) 3.427 19.581 ( 1.198 -0.481 0.433) 1.361 20.048 ( 1.339 -0.527 -1.307) 1.944 20.175 ( -0.571 -0.255 0.834) 1.042 20.473 ( -2.868 -2.144 5.239) 6.345 21.423 ( -0.828 -1.335 0.534) 1.659 22.520 ( 0.324 0.275 -0.116) 0.441 22.547 ( 0.306 0.427 -0.122) 0.539 28.364 ( 2.375 3.880 -0.395) 4.567 28.626 ( 2.257 3.940 0.460) 4.564 28.692 ( 4.307 3.416 0.182) 5.501 28.715 ( 0.741 5.755 0.016) 5.803 33.418 ( 0.017 -0.199 -0.106) 0.226 33.426 ( -0.217 -0.117 0.073) 0.257 36.255 ( 4.762 -3.896 -4.762) 7.780 36.634 ( -0.107 0.841 1.083) 1.375 37.133 ( -7.349 10.579 4.636) 13.690 37.746 ( 3.170 -4.336 -5.265) 7.521 41.670 ( -1.500 3.370 -1.921) 4.159 41.751 ( 1.730 -1.799 1.690) 3.014 42.357 ( 3.038 9.000 2.023) 9.711 43.663 ( 11.287 1.494 -22.110) 24.870 44.432 ( -4.108 -0.928 3.710) 5.613 45.115 ( 2.291 -1.769 -2.399) 3.759 ======================= Grid point 23 (18/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -7.037 -2.116 4.118) 8.424 1.408 ( -12.707 11.634 17.538) 24.585 1.986 ( 0.002 -10.445 -6.930) 12.535 2.127 ( 1.867 1.723 -4.705) 5.347 2.320 ( 12.596 -1.565 -4.466) 13.455 2.474 ( 1.956 -5.698 6.480) 8.848 2.713 ( -7.311 -7.109 -4.450) 11.127 2.929 ( 3.507 8.624 -6.516) 11.363 3.289 ( 3.502 -4.283 -1.079) 5.637 3.501 ( -0.977 -0.831 2.968) 3.234 3.515 ( 5.338 -0.803 4.743) 7.186 3.813 ( -2.867 -5.522 0.125) 6.223 3.894 ( -5.166 3.838 5.105) 8.215 4.133 ( -7.690 -4.739 -2.083) 9.270 4.339 ( 1.098 3.043 -2.203) 3.914 4.376 ( 4.908 4.782 1.629) 7.044 4.843 ( -16.924 0.370 -4.425) 17.497 5.378 ( 14.074 -13.677 -2.235) 19.752 5.885 ( 6.163 4.159 -3.597) 8.259 5.971 ( 5.875 -0.281 1.455) 6.059 6.451 ( -12.799 -1.986 4.322) 13.654 6.774 ( -4.008 10.972 3.082) 12.081 7.172 ( 0.259 -8.449 -2.145) 8.721 7.696 ( 3.311 6.934 -2.435) 8.061 7.806 ( 3.795 -0.166 1.325) 4.023 8.247 ( -8.267 -3.444 1.019) 9.014 9.035 ( 1.487 -6.751 1.136) 7.005 11.558 ( 0.124 -0.093 -0.416) 0.444 11.835 ( 1.126 0.263 0.200) 1.173 11.984 ( 2.218 -1.839 -3.085) 4.221 12.067 ( -0.951 1.684 2.058) 2.824 13.833 ( 2.517 2.574 -3.297) 4.882 13.963 ( -3.562 -1.599 2.296) 4.529 14.058 ( 0.462 -1.231 1.412) 1.929 14.158 ( -0.401 1.338 -0.351) 1.440 17.413 ( -0.748 -7.691 0.162) 7.729 17.557 ( 0.904 -10.305 -0.600) 10.362 18.543 ( 0.295 4.384 0.173) 4.397 18.649 ( 0.742 8.893 -0.996) 8.979 19.461 ( -2.415 -0.399 0.730) 2.554 19.593 ( 0.777 -0.299 -0.192) 0.854 20.066 ( 1.620 0.482 -0.751) 1.849 20.162 ( -0.926 -0.870 0.774) 1.488 20.436 ( -3.126 -0.870 1.977) 3.799 21.407 ( -0.319 -0.598 0.180) 0.701 22.526 ( 0.137 0.270 -0.092) 0.316 22.553 ( 0.107 0.338 -0.041) 0.357 28.424 ( 1.216 3.361 -0.625) 3.629 28.666 ( -0.191 -0.432 1.263) 1.348 28.745 ( -1.434 4.249 -0.211) 4.489 28.780 ( 3.123 0.895 -0.256) 3.259 33.416 ( 0.067 -0.143 -0.068) 0.172 33.423 ( -0.117 -0.029 0.056) 0.133 36.271 ( 4.622 -3.272 -2.648) 6.252 36.633 ( -0.809 -0.369 -0.023) 0.890 37.144 ( -7.567 10.947 3.544) 13.771 37.740 ( 4.913 -4.962 -2.165) 7.311 41.674 ( -1.316 4.187 -0.981) 4.497 41.774 ( 2.234 -2.453 1.125) 3.503 42.443 ( -1.398 4.496 0.524) 4.737 43.749 ( 13.358 -1.089 -9.875) 16.648 44.379 ( -3.767 -0.959 2.275) 4.504 45.141 ( 3.601 -0.904 -0.597) 3.761 ======================= Grid point 24 (19/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -6.110 -9.776 2.164) 11.730 1.240 ( -19.769 -3.439 3.666) 20.398 2.018 ( 7.231 8.348 1.049) 11.094 2.207 ( 6.336 0.557 -3.352) 7.189 2.475 ( 11.011 -2.860 -2.959) 11.755 2.506 ( -2.890 -4.202 2.352) 5.617 2.611 ( 8.578 3.320 -3.087) 9.702 2.935 ( -4.054 -2.689 -0.439) 4.885 3.307 ( 5.748 -4.989 -1.612) 7.780 3.534 ( 1.538 2.605 4.209) 5.183 3.664 ( 1.775 4.143 7.092) 8.403 3.731 ( 5.182 -9.184 -0.766) 10.572 3.899 ( -0.597 9.433 3.100) 9.948 3.997 ( -4.354 -2.627 -3.443) 6.141 4.235 ( -11.922 -3.210 -3.632) 12.869 4.453 ( -4.653 1.956 -1.691) 5.323 4.781 ( 7.456 11.605 1.102) 13.838 5.480 ( 14.477 -11.091 -4.568) 18.800 5.958 ( 1.351 2.937 -1.401) 3.523 6.079 ( 6.479 -2.211 3.111) 7.520 6.259 ( -9.166 -1.970 1.385) 9.477 6.846 ( -2.927 7.986 3.396) 9.158 7.069 ( -1.040 -5.385 -1.516) 5.690 7.692 ( -5.189 3.673 -0.563) 6.382 7.887 ( 0.219 -2.481 -3.896) 4.624 8.202 ( 5.666 1.570 4.878) 7.639 9.006 ( 0.757 -3.936 -1.790) 4.390 11.557 ( 0.142 0.831 -0.563) 1.013 11.865 ( 1.097 0.638 1.548) 2.002 11.965 ( -0.208 -1.324 -3.381) 3.637 12.078 ( 0.113 -0.906 2.104) 2.294 13.857 ( -2.029 5.413 -1.354) 5.937 13.927 ( -0.173 -1.409 0.956) 1.711 14.056 ( 1.602 -4.234 0.523) 4.557 14.182 ( 1.379 1.243 0.270) 1.876 17.417 ( 7.455 -3.533 0.281) 8.255 17.558 ( 8.422 -4.824 -0.331) 9.712 18.539 ( -4.387 1.130 0.680) 4.581 18.671 ( -5.730 5.918 -1.009) 8.298 19.437 ( -0.677 -0.152 0.318) 0.763 19.597 ( 0.206 -0.100 -0.616) 0.657 20.092 ( 1.158 1.078 -0.444) 1.643 20.144 ( -0.658 -1.277 0.923) 1.707 20.386 ( -3.486 -0.295 -0.079) 3.500 21.405 ( 0.422 -0.091 0.012) 0.432 22.526 ( -0.227 0.122 -0.045) 0.262 22.554 ( -0.214 0.146 0.012) 0.260 28.445 ( -1.802 2.974 -1.063) 3.636 28.631 ( -2.588 -3.879 1.708) 4.966 28.735 ( -3.509 2.285 0.070) 4.188 28.802 ( -0.802 0.163 -0.707) 1.082 33.417 ( 0.157 -0.084 0.005) 0.178 33.423 ( 0.048 0.047 0.003) 0.068 36.310 ( 4.564 -1.736 -0.327) 4.894 36.605 ( -1.265 -1.454 -0.788) 2.082 37.124 ( -8.140 7.396 1.825) 11.149 37.791 ( 7.144 -2.632 -0.616) 7.639 41.689 ( -0.907 4.103 -0.462) 4.228 41.783 ( 1.137 -2.583 -0.017) 2.822 42.399 ( -6.584 -0.019 0.183) 6.586 43.938 ( 15.969 -0.443 -1.257) 16.024 44.339 ( -1.413 -0.528 0.765) 1.691 45.195 ( 3.596 0.033 0.643) 3.653 ======================= Grid point 25 (20/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -5.020 -3.509 -1.658) 6.345 0.898 ( -16.657 -6.344 0.567) 17.833 2.194 ( -4.206 1.169 -3.044) 5.322 2.275 ( 1.714 5.613 6.209) 8.544 2.401 ( 6.905 -1.001 -2.842) 7.533 2.638 ( 5.004 -10.430 4.536) 12.426 2.768 ( 12.908 3.051 -6.192) 14.638 2.949 ( 8.286 5.990 1.711) 10.367 3.364 ( 8.225 -2.380 -3.561) 9.274 3.554 ( -4.800 2.114 -0.983) 5.337 3.590 ( -7.140 -4.739 0.920) 8.619 3.842 ( 0.692 -0.791 -0.972) 1.431 3.878 ( 4.240 -1.772 -0.424) 4.615 4.028 ( -8.173 1.812 -0.285) 8.376 4.152 ( 9.205 12.730 6.779) 17.109 4.349 ( -6.614 -3.160 -0.409) 7.342 5.069 ( 16.565 2.774 4.004) 17.266 5.558 ( 9.841 -7.331 -4.041) 12.920 5.967 ( -2.714 -0.049 -1.793) 3.253 6.087 ( -0.293 5.482 -7.084) 8.962 6.249 ( 5.409 -6.328 7.381) 11.126 6.820 ( -0.502 -4.432 -0.754) 4.524 7.099 ( 0.592 7.392 3.715) 8.295 7.626 ( -4.669 -1.232 0.900) 4.912 7.739 ( -10.858 -0.050 -4.134) 11.618 8.443 ( 16.265 0.971 3.772) 16.725 8.961 ( -1.288 -1.705 -2.398) 3.211 11.582 ( 2.199 1.628 -0.456) 2.773 11.877 ( -1.692 -0.125 0.602) 1.800 11.917 ( -1.847 -1.595 -1.065) 2.663 12.089 ( 0.904 0.032 0.989) 1.341 13.876 ( 0.251 3.238 1.071) 3.419 13.947 ( 1.492 3.731 -1.288) 4.219 14.035 ( 1.730 -6.943 0.802) 7.200 14.207 ( 1.036 -0.103 -0.625) 1.214 17.557 ( 10.896 -0.048 0.003) 10.896 17.705 ( 11.750 -0.232 0.287) 11.756 18.448 ( -6.422 -1.724 0.685) 6.685 18.580 ( -8.847 2.254 -1.004) 9.185 19.442 ( 1.206 -0.211 0.289) 1.258 19.592 ( -0.319 0.211 -0.493) 0.624 20.107 ( 0.288 0.464 -0.945) 1.091 20.139 ( 0.170 -0.589 1.390) 1.519 20.326 ( -3.790 0.079 -0.189) 3.795 21.416 ( 1.013 0.010 -0.038) 1.014 22.522 ( -0.378 0.022 0.004) 0.379 22.550 ( -0.407 0.006 0.009) 0.407 28.405 ( -4.763 1.797 -1.672) 5.358 28.557 ( -3.977 -3.067 2.327) 5.536 28.682 ( -5.446 1.199 0.466) 5.596 28.749 ( -5.296 0.269 -1.169) 5.430 33.419 ( 0.232 -0.057 0.079) 0.251 33.425 ( 0.167 0.062 -0.074) 0.193 36.378 ( 4.322 0.583 1.787) 4.713 36.564 ( -1.138 -2.002 -0.608) 2.381 37.044 ( -7.683 1.797 -1.024) 7.957 37.894 ( 7.714 -0.257 -0.612) 7.743 41.715 ( -0.027 3.629 0.080) 3.630 41.758 ( -0.478 -2.893 -1.834) 3.459 42.268 ( -9.559 -0.836 1.368) 9.692 44.188 ( 16.033 -2.406 1.634) 16.295 44.343 ( 1.481 1.899 -0.840) 2.551 45.248 ( 2.324 0.441 -0.092) 2.367 ======================= Grid point 26 (21/125) ======================= q-point: (-0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -13.575 5.610 8.569) 17.005 0.735 ( -4.954 1.325 2.034) 5.517 1.896 ( -29.122 6.190 -3.829) 30.018 2.443 ( 8.937 2.732 3.205) 9.879 2.530 ( 9.978 -11.502 1.929) 15.349 2.636 ( 7.853 -3.572 -0.611) 8.649 2.971 ( 10.416 -0.295 -1.063) 10.475 3.189 ( 10.242 7.897 -3.044) 13.286 3.381 ( -4.846 -3.077 -2.162) 6.134 3.467 ( 7.079 1.963 -6.935) 10.102 3.548 ( 2.740 1.540 -1.244) 3.381 3.833 ( 5.037 -6.901 4.198) 9.520 3.915 ( -2.318 1.185 -3.002) 3.973 4.040 ( 0.321 1.331 4.841) 5.031 4.146 ( -4.444 -8.797 0.551) 9.871 4.411 ( 0.356 6.983 5.211) 8.720 5.355 ( 16.457 -3.259 1.797) 16.872 5.628 ( 5.654 0.536 1.480) 5.869 5.845 ( -6.900 -0.008 -5.791) 9.008 6.146 ( 2.264 1.983 -3.390) 4.533 6.311 ( 7.068 -2.780 -1.012) 7.662 6.819 ( 5.463 -6.371 1.414) 8.510 7.190 ( -2.076 8.322 4.117) 9.514 7.514 ( -5.897 -9.734 2.384) 11.628 7.593 ( -4.956 6.662 -4.286) 9.344 8.680 ( 13.571 -5.487 -4.760) 15.393 8.960 ( 1.161 4.122 9.207) 10.154 11.642 ( 4.040 0.708 -0.350) 4.117 11.817 ( -3.972 -0.187 -1.278) 4.177 11.877 ( -2.408 -1.318 1.802) 3.284 12.116 ( 1.043 1.355 -0.904) 1.934 13.913 ( 2.449 -4.324 0.022) 4.969 13.996 ( 3.404 -1.283 0.318) 3.651 14.046 ( 1.953 5.469 0.004) 5.808 14.204 ( 0.454 -1.064 -1.661) 2.024 17.693 ( 3.878 1.744 -0.288) 4.262 17.832 ( 0.747 0.953 0.593) 1.348 18.383 ( 2.400 -2.219 0.065) 3.269 18.476 ( -2.299 -1.321 -0.897) 2.799 19.470 ( 2.439 -0.950 0.726) 2.716 19.588 ( -0.514 0.692 0.150) 0.875 20.106 ( 0.479 -0.078 -1.222) 1.315 20.146 ( -0.117 -0.027 0.816) 0.825 20.280 ( -3.046 0.452 3.632) 4.762 21.434 ( 1.282 -0.219 0.057) 1.302 22.517 ( -0.206 0.002 0.023) 0.208 22.543 ( -0.402 0.027 -0.048) 0.405 28.323 ( -5.404 0.768 -1.402) 5.635 28.495 ( -4.824 1.367 2.117) 5.442 28.590 ( -7.377 -0.131 0.057) 7.378 28.649 ( -7.314 2.526 -0.826) 7.782 33.423 ( 0.261 -0.048 0.072) 0.275 33.428 ( 0.164 -0.023 -0.087) 0.187 36.476 ( 3.772 3.880 1.977) 5.761 36.533 ( -0.490 -2.513 1.902) 3.189 36.909 ( -6.477 -2.727 -4.844) 8.535 37.997 ( 6.268 0.078 -2.526) 6.758 41.698 ( -1.462 -3.070 -3.068) 4.580 41.755 ( 0.960 3.158 0.778) 3.391 42.128 ( -9.845 1.507 1.955) 10.150 44.333 ( 7.317 -5.915 -0.162) 9.410 44.431 ( 7.336 3.770 -8.278) 11.685 45.261 ( 0.043 0.448 -3.550) 3.578 ======================= Grid point 28 (22/125) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -5.057 2.775 16.273) 17.265 0.977 ( -5.665 3.466 14.284) 15.753 1.844 ( -15.958 23.621 -3.175) 28.682 2.332 ( 10.105 -9.047 -0.798) 13.587 2.459 ( -3.748 -8.996 -12.512) 15.859 2.722 ( -2.472 -2.269 0.884) 3.470 2.919 ( 13.978 -5.192 -4.524) 15.582 3.128 ( 11.339 -12.432 0.036) 16.826 3.332 ( 1.445 -0.308 -4.250) 4.500 3.522 ( 2.689 -1.942 2.851) 4.374 3.694 ( -7.900 -1.828 5.678) 9.899 3.789 ( 7.003 3.736 -6.680) 10.374 3.911 ( -2.179 4.354 0.241) 4.875 3.992 ( 7.591 -3.076 4.695) 9.440 4.103 ( 5.561 -1.495 4.056) 7.043 4.400 ( -7.416 -0.549 4.294) 8.587 5.187 ( 6.444 -14.256 -7.693) 17.434 5.776 ( -0.762 -0.350 2.127) 2.287 5.944 ( -3.558 -3.211 -6.897) 8.398 6.066 ( -0.463 6.804 2.188) 7.162 6.282 ( 6.487 -5.786 -3.053) 9.213 6.718 ( 4.882 3.480 -4.401) 7.437 7.182 ( -5.305 -5.881 4.955) 9.342 7.571 ( -7.783 6.790 -2.766) 10.693 7.637 ( 4.591 6.139 5.498) 9.434 8.490 ( 8.904 -10.339 -4.324) 14.313 9.287 ( 4.175 -11.498 13.009) 17.857 11.626 ( 2.294 -2.954 -0.179) 3.744 11.823 ( -0.573 1.938 -0.264) 2.038 11.927 ( -1.998 4.746 2.123) 5.570 12.021 ( -3.452 -1.256 -5.897) 6.948 13.848 ( 4.467 -1.776 -0.899) 4.891 13.986 ( 3.642 -1.771 0.924) 4.153 14.088 ( -4.429 -2.691 -1.206) 5.321 14.210 ( 2.052 0.717 -0.590) 2.252 17.674 ( 0.303 -3.508 -0.776) 3.605 17.840 ( -0.791 -2.365 0.307) 2.513 18.391 ( 1.397 -1.559 -0.716) 2.212 18.450 ( 1.523 3.669 -0.671) 4.029 19.482 ( 2.301 -1.689 0.810) 2.966 19.611 ( -0.582 0.388 0.726) 1.009 20.111 ( 0.352 -0.248 -0.250) 0.498 20.125 ( -0.369 -0.633 0.368) 0.820 20.424 ( 3.043 -2.575 9.535) 10.335 21.440 ( 1.107 -1.253 0.663) 1.799 22.516 ( -0.136 0.155 -0.073) 0.218 22.541 ( -0.272 0.360 -0.167) 0.481 28.344 ( -1.046 5.915 1.144) 6.115 28.464 ( -6.520 1.924 -1.968) 7.077 28.572 ( -4.086 5.852 0.173) 7.140 28.674 ( -4.772 5.953 0.674) 7.659 33.420 ( 0.033 -0.217 -0.143) 0.261 33.430 ( 0.257 -0.113 0.102) 0.298 36.363 ( -5.719 -5.948 -4.958) 9.627 36.564 ( -0.324 2.261 -2.199) 3.170 36.971 ( 6.959 8.870 6.641) 13.084 37.917 ( -0.928 -2.188 -7.292) 7.670 41.636 ( 1.667 2.822 -1.730) 3.706 41.854 ( 0.447 -0.707 2.593) 2.724 42.118 ( -7.909 7.054 0.387) 10.605 43.897 ( -11.084 5.748 -35.820) 37.934 44.407 ( 2.883 -2.224 3.259) 4.886 45.187 ( -0.969 -0.236 -2.521) 2.711 ======================= Grid point 29 (23/125) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -12.411 13.288 8.673) 20.145 1.119 ( -2.658 7.914 21.661) 23.214 1.918 ( -4.257 18.230 -3.045) 18.966 2.202 ( 1.998 -13.346 -7.490) 15.434 2.428 ( 7.113 -3.597 -2.467) 8.344 2.659 ( -1.086 -5.829 0.449) 5.946 2.958 ( 5.725 -10.793 -6.098) 13.654 3.187 ( 6.086 -3.498 -7.806) 10.498 3.315 ( -3.741 -8.517 4.291) 10.245 3.454 ( -1.171 -3.644 0.114) 3.829 3.677 ( -2.156 5.018 3.801) 6.654 3.855 ( 2.654 1.800 0.861) 3.320 3.960 ( 1.811 4.779 -1.940) 5.467 4.103 ( -0.856 -0.575 2.315) 2.534 4.207 ( 3.873 -0.701 4.760) 6.176 4.372 ( 5.853 -2.558 3.825) 7.445 5.112 ( 7.451 -11.675 -7.010) 15.523 5.693 ( -4.803 -11.900 0.369) 12.838 5.796 ( -5.694 -2.035 -8.233) 10.215 6.015 ( -3.627 -3.262 -5.827) 7.599 6.383 ( 4.882 4.583 5.393) 8.598 6.829 ( 5.546 6.134 -2.640) 8.681 7.146 ( 0.586 0.885 3.331) 3.496 7.445 ( -9.410 -0.167 -2.095) 9.642 7.816 ( 4.011 8.513 5.222) 10.762 8.494 ( 6.681 -10.393 -3.658) 12.885 9.250 ( -1.008 -18.094 11.681) 21.561 11.627 ( 0.669 -2.813 -1.099) 3.094 11.812 ( -1.277 0.109 -0.673) 1.448 11.883 ( -4.836 1.487 0.030) 5.060 12.025 ( 3.064 5.183 -2.918) 6.691 13.844 ( -0.019 -6.048 -2.032) 6.380 13.984 ( -2.833 -2.725 0.116) 3.933 14.086 ( 6.211 2.540 0.715) 6.749 14.232 ( 0.514 -0.365 -0.076) 0.635 17.690 ( 4.144 0.209 -0.412) 4.170 17.823 ( 1.790 -3.459 0.214) 3.901 18.364 ( -1.424 -2.964 -0.617) 3.345 18.451 ( -3.366 0.751 -1.341) 3.700 19.507 ( 2.035 -1.119 0.541) 2.384 19.608 ( -0.902 0.098 1.175) 1.484 20.074 ( -1.542 -2.178 -0.735) 2.768 20.150 ( 1.266 0.692 0.737) 1.620 20.498 ( 2.506 -4.954 9.481) 10.987 21.446 ( 0.677 -1.849 1.021) 2.218 22.514 ( -0.152 0.096 -0.131) 0.222 22.539 ( -0.229 0.397 -0.180) 0.493 28.373 ( -4.642 4.179 0.070) 6.246 28.438 ( 1.809 5.871 0.287) 6.150 28.562 ( -3.400 6.807 -1.062) 7.682 28.685 ( -2.536 7.667 0.749) 8.110 33.418 ( 0.057 -0.239 -0.121) 0.274 33.432 ( 0.119 -0.149 0.084) 0.208 36.212 ( -2.973 -3.159 -5.938) 7.353 36.590 ( 0.906 2.448 0.561) 2.670 37.178 ( 4.024 6.619 6.917) 10.385 37.810 ( -3.138 -0.858 -9.785) 10.312 41.685 ( 1.763 3.342 -2.506) 4.534 41.828 ( -3.220 -3.444 3.174) 5.683 42.128 ( -1.700 11.162 1.860) 11.442 43.572 ( -8.483 12.096 -37.117) 39.949 44.462 ( 2.761 -1.121 3.632) 4.698 45.145 ( -1.288 -1.552 -2.800) 3.451 ======================= Grid point 30 (24/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.592 27.455 4.620) 27.848 1.268 ( -2.436 6.015 19.016) 20.093 1.901 ( 0.914 2.446 -3.585) 4.435 2.240 ( 5.773 -4.882 -2.196) 7.873 2.393 ( -4.536 -7.097 0.242) 8.426 2.602 ( 2.345 -6.024 -1.542) 6.646 2.968 ( 6.371 -3.482 -7.448) 10.401 3.033 ( -6.714 -3.049 -7.930) 10.829 3.229 ( 1.428 -10.947 2.856) 11.403 3.399 ( -8.713 2.406 0.434) 9.049 3.750 ( -1.208 3.855 2.470) 4.735 3.843 ( -3.442 1.795 -3.112) 4.975 3.998 ( 2.307 -0.074 4.704) 5.240 4.083 ( -3.064 2.957 2.945) 5.177 4.294 ( 7.055 -3.885 5.039) 9.500 4.440 ( 3.350 -7.460 0.616) 8.200 5.143 ( 7.691 -7.096 -4.254) 11.295 5.431 ( -3.107 -18.674 -8.353) 20.691 5.693 ( -3.391 1.748 -0.974) 3.938 5.876 ( -4.972 -3.239 -5.407) 8.028 6.547 ( 3.778 7.199 6.791) 10.594 6.930 ( 3.565 1.421 -0.853) 3.932 7.194 ( -4.814 5.601 -3.102) 8.011 7.328 ( 1.305 -0.978 3.117) 3.518 7.946 ( -0.091 5.892 3.410) 6.809 8.465 ( 3.437 -8.183 -3.680) 9.608 9.122 ( -2.632 -16.164 8.768) 18.577 11.575 ( -1.765 -2.817 -1.402) 3.607 11.797 ( 0.020 -0.014 -0.979) 0.979 11.877 ( 0.744 2.506 0.317) 2.633 12.092 ( 1.104 4.772 -1.504) 5.123 13.753 ( -1.734 -5.645 -0.866) 5.969 13.969 ( 1.493 -0.179 0.359) 1.546 14.160 ( 0.614 0.106 -1.067) 1.236 14.226 ( -0.428 -0.220 0.364) 0.603 17.750 ( 0.650 -1.131 0.366) 1.355 17.804 ( -0.226 -6.014 -0.348) 6.028 18.327 ( 1.713 -1.072 -0.961) 2.238 18.388 ( -2.173 1.787 -0.966) 2.975 19.530 ( 1.523 -0.445 0.033) 1.587 19.598 ( -1.658 -0.095 1.974) 2.580 20.030 ( -0.610 -1.998 -1.237) 2.427 20.175 ( 0.641 0.399 0.704) 1.032 20.528 ( 0.059 -4.204 7.001) 8.166 21.440 ( -0.036 -1.957 0.957) 2.179 22.513 ( 0.001 0.094 -0.139) 0.168 22.539 ( -0.000 0.358 -0.160) 0.392 28.350 ( -2.219 3.726 -0.009) 4.337 28.529 ( 2.920 4.007 -0.075) 4.959 28.598 ( 0.340 7.692 -0.405) 7.710 28.731 ( -1.207 7.433 0.706) 7.564 33.416 ( 0.059 -0.222 -0.095) 0.248 33.432 ( -0.059 -0.152 0.060) 0.174 36.143 ( 1.182 -2.155 -4.937) 5.515 36.631 ( 0.581 2.063 1.660) 2.711 37.287 ( -1.076 4.406 5.966) 7.494 37.709 ( -1.481 0.227 -8.963) 9.087 41.692 ( -0.774 0.568 -2.572) 2.745 41.783 ( -2.243 -0.199 2.536) 3.391 42.260 ( 2.169 11.426 3.657) 12.192 43.405 ( 1.851 8.299 -29.922) 31.106 44.506 ( 0.384 -0.249 3.748) 3.776 45.090 ( -0.744 -2.319 -3.290) 4.093 ======================= Grid point 31 (25/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -3.520 18.371 1.386) 18.756 1.461 ( 5.145 9.918 16.953) 20.304 2.010 ( 8.043 2.903 1.029) 8.612 2.083 ( -4.972 -16.645 -5.548) 18.236 2.263 ( -7.019 -1.845 -0.818) 7.303 2.567 ( -3.530 -5.194 -0.028) 6.280 2.794 ( -3.790 -2.308 -7.218) 8.473 3.110 ( 6.683 -5.994 -4.566) 10.072 3.157 ( -5.688 6.171 -1.514) 8.528 3.288 ( -0.665 -3.280 0.761) 3.432 3.620 ( -6.127 -4.706 -3.300) 8.401 3.905 ( 0.576 1.738 4.030) 4.426 4.072 ( -5.380 3.956 5.208) 8.468 4.096 ( 3.750 6.920 2.417) 8.234 4.363 ( -0.758 -7.677 0.234) 7.718 4.420 ( 3.695 -0.752 2.768) 4.677 4.977 ( -1.475 -22.456 0.570) 22.511 5.310 ( -0.581 -5.899 -9.363) 11.082 5.696 ( 1.881 4.637 -2.155) 5.448 5.807 ( 3.220 0.205 -2.564) 4.121 6.677 ( -0.611 3.523 5.657) 6.693 6.927 ( -3.371 2.898 -1.909) 4.838 7.134 ( -1.666 0.453 -0.314) 1.755 7.446 ( 7.102 1.779 1.937) 7.573 7.954 ( -5.214 2.917 1.224) 6.098 8.402 ( -0.650 -7.032 -2.164) 7.386 9.019 ( -0.916 -9.362 4.591) 10.468 11.538 ( 0.201 -1.132 -0.217) 1.170 11.798 ( 0.989 0.276 -1.728) 2.010 11.915 ( 1.479 0.475 -0.039) 1.554 12.122 ( -1.176 3.419 -0.296) 3.627 13.710 ( 1.963 -2.596 -0.915) 3.381 14.012 ( 1.900 1.966 1.333) 3.041 14.114 ( -3.029 -2.526 -1.029) 4.076 14.213 ( -1.882 0.459 0.004) 1.937 17.636 ( -9.739 -5.539 0.782) 11.231 17.678 ( -6.360 -8.432 -1.452) 10.661 18.405 ( 6.698 2.688 -1.768) 7.430 18.470 ( 7.903 5.302 0.848) 9.554 19.534 ( -0.623 -0.466 -0.876) 1.172 19.586 ( -1.221 0.032 2.634) 2.903 20.012 ( 1.191 -0.825 -1.358) 1.986 20.183 ( -0.201 -0.159 0.582) 0.636 20.520 ( -1.719 -2.263 4.114) 5.000 21.425 ( -0.539 -1.397 0.572) 1.603 22.515 ( 0.320 0.158 -0.108) 0.373 22.544 ( 0.304 0.315 -0.109) 0.451 28.371 ( 0.698 3.142 0.377) 3.241 28.606 ( 3.832 2.987 -1.612) 5.119 28.674 ( 1.648 4.022 0.844) 4.428 28.780 ( -0.860 5.587 0.712) 5.697 33.415 ( 0.036 -0.188 -0.075) 0.205 33.429 ( -0.172 -0.091 0.045) 0.200 36.134 ( 3.424 -2.178 -3.662) 5.466 36.658 ( -0.493 1.045 1.505) 1.898 37.330 ( -2.979 6.191 4.816) 8.390 37.647 ( 0.118 -1.993 -6.087) 6.406 41.679 ( 0.750 0.229 -0.797) 1.118 41.769 ( -2.130 1.370 1.018) 2.730 42.414 ( 2.181 8.879 3.491) 9.787 43.374 ( 8.788 1.040 -20.053) 21.919 44.508 ( -2.856 -0.001 3.035) 4.168 45.053 ( 1.307 -1.925 -2.413) 3.352 ======================= Grid point 32 (26/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -10.625 -0.177 2.457) 10.907 1.664 ( -3.375 -1.646 4.349) 5.746 1.929 ( 3.676 5.076 1.763) 6.510 2.085 ( 0.179 -2.604 -1.555) 3.038 2.188 ( -1.273 4.534 -2.172) 5.186 2.466 ( -1.406 -4.281 4.493) 6.363 2.698 ( -3.696 -4.480 -4.087) 7.102 2.999 ( -5.084 0.891 -1.298) 5.322 3.199 ( 2.131 7.018 -5.099) 8.932 3.362 ( 9.211 -3.232 -1.401) 9.862 3.494 ( -0.670 -7.506 -0.846) 7.583 3.879 ( -5.732 -2.621 3.127) 7.036 4.045 ( -5.224 0.520 5.104) 7.322 4.127 ( -3.704 -5.231 -3.701) 7.401 4.381 ( -2.911 2.419 1.567) 4.097 4.443 ( 2.615 15.676 4.608) 16.547 4.928 ( 9.029 -10.590 1.948) 14.052 5.089 ( -5.678 -12.999 -6.763) 15.714 5.784 ( 5.859 2.741 -2.625) 6.981 5.910 ( 6.217 4.346 -0.878) 7.637 6.605 ( -8.877 -4.389 0.643) 9.923 6.955 ( -2.696 10.979 2.895) 11.670 7.093 ( -0.861 -6.505 -0.898) 6.623 7.592 ( 9.366 1.827 0.065) 9.543 7.885 ( -6.613 2.381 0.875) 7.083 8.298 ( -3.678 -5.750 -0.856) 6.880 8.981 ( 0.417 -3.185 1.240) 3.443 11.552 ( 1.082 0.671 0.513) 1.373 11.807 ( 1.599 -0.357 -1.255) 2.064 11.928 ( 1.143 -0.980 -0.655) 1.642 12.118 ( -2.000 1.392 0.372) 2.465 13.753 ( 5.282 0.219 -1.064) 5.393 14.024 ( -3.963 -1.954 -0.254) 4.426 14.074 ( 0.696 1.937 2.063) 2.914 14.178 ( -2.185 -0.085 -0.796) 2.327 17.436 ( -8.786 -3.834 0.024) 9.586 17.507 ( -4.734 -6.142 -0.571) 7.776 18.518 ( 5.583 1.538 -1.086) 5.892 18.654 ( 6.977 4.939 0.746) 8.581 19.497 ( -2.424 -0.826 -0.359) 2.586 19.592 ( -0.238 0.462 1.210) 1.316 20.033 ( 2.342 0.479 -0.893) 2.552 20.174 ( -0.909 -0.759 0.458) 1.269 20.488 ( -2.838 -0.816 1.599) 3.358 21.409 ( -0.533 -0.554 0.202) 0.795 22.523 ( 0.412 0.130 -0.057) 0.436 22.552 ( 0.358 0.209 -0.045) 0.417 28.423 ( 2.079 2.482 0.479) 3.273 28.661 ( 1.336 0.387 -1.506) 2.050 28.732 ( 3.139 0.639 0.559) 3.251 28.807 ( -1.401 3.261 0.676) 3.613 33.413 ( 0.045 -0.127 -0.048) 0.143 33.426 ( -0.181 -0.006 0.033) 0.184 36.160 ( 4.546 -1.723 -1.980) 5.249 36.651 ( -1.564 -0.362 0.567) 1.703 37.370 ( -5.582 9.442 3.943) 11.656 37.602 ( 3.424 -5.602 -3.583) 7.479 41.710 ( 1.995 1.791 0.180) 2.687 41.751 ( -1.823 0.449 0.458) 1.932 42.501 ( -0.589 3.438 1.006) 3.630 43.452 ( 13.942 -1.988 -8.573) 16.487 44.457 ( -4.942 -0.271 1.208) 5.094 45.072 ( 3.585 -0.411 -0.566) 3.652 ======================= Grid point 33 (27/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -12.962 -11.025 4.691) 17.652 1.438 ( -14.282 -4.290 -7.824) 16.840 2.109 ( 2.240 5.151 -0.612) 5.650 2.156 ( 3.594 9.445 1.304) 10.189 2.245 ( 8.278 1.210 8.422) 11.871 2.492 ( 1.018 -2.327 -5.605) 6.154 2.559 ( -1.693 0.842 2.716) 3.309 2.988 ( 0.294 0.458 -3.283) 3.328 3.190 ( -2.392 -6.327 -1.045) 6.845 3.434 ( 9.543 -2.778 -1.178) 10.008 3.548 ( 7.741 1.065 1.858) 8.032 3.771 ( -5.386 -1.909 2.764) 6.347 3.961 ( -5.482 -2.039 -4.133) 7.162 4.046 ( -1.752 2.176 2.140) 3.519 4.332 ( -4.162 1.075 0.847) 4.381 4.645 ( -11.259 9.534 -0.215) 14.755 4.860 ( 0.038 11.714 1.245) 11.780 5.079 ( 17.388 -16.680 -1.854) 24.166 5.891 ( 7.644 -0.604 0.289) 7.673 6.010 ( 2.869 1.673 0.213) 3.328 6.400 ( -11.203 -4.514 -0.093) 12.079 6.938 ( -6.032 -4.994 -1.339) 7.945 7.078 ( 1.545 6.894 1.541) 7.231 7.751 ( 7.651 -2.141 -2.046) 8.204 7.828 ( -4.049 6.568 1.916) 7.950 8.192 ( -2.403 -4.831 -0.161) 5.398 8.979 ( -0.037 0.673 0.001) 0.674 11.568 ( -0.305 1.098 -0.028) 1.140 11.839 ( 3.039 0.060 0.275) 3.052 11.928 ( 0.602 -1.686 -0.286) 1.813 12.098 ( -1.341 0.322 0.043) 1.379 13.842 ( 5.755 -0.386 -0.138) 5.770 13.949 ( -3.632 -0.004 0.160) 3.636 14.076 ( -3.924 1.261 0.143) 4.124 14.161 ( 1.467 -0.904 -0.166) 1.731 17.341 ( -0.528 -0.166 -0.003) 0.553 17.449 ( 1.822 -0.160 0.002) 1.829 18.569 ( 0.873 -1.251 0.009) 1.526 18.747 ( 0.501 1.631 -0.008) 1.706 19.453 ( -1.792 -0.721 -0.163) 1.938 19.598 ( -0.243 0.710 0.244) 0.789 20.073 ( 2.172 1.199 -0.438) 2.520 20.151 ( -1.077 -1.215 0.388) 1.669 20.440 ( -3.476 0.006 -0.031) 3.476 21.402 ( -0.134 0.029 -0.000) 0.138 22.528 ( 0.139 -0.015 -0.000) 0.140 22.556 ( 0.093 0.008 0.000) 0.093 28.474 ( 0.917 2.433 -0.000) 2.600 28.633 ( -1.418 -3.856 -0.004) 4.109 28.778 ( 1.303 -0.861 0.026) 1.562 28.809 ( -1.187 2.393 -0.022) 2.671 33.414 ( 0.117 -0.048 0.000) 0.127 33.424 ( -0.103 0.043 -0.000) 0.112 36.222 ( 5.381 -0.224 -0.021) 5.386 36.614 ( -2.028 -1.646 0.049) 2.612 37.324 ( -9.696 3.858 -0.069) 10.436 37.648 ( 7.802 -1.503 0.041) 7.946 41.727 ( -1.005 -1.117 -0.010) 1.503 41.759 ( 0.894 3.102 0.022) 3.229 42.475 ( -3.495 -1.602 -0.075) 3.846 43.657 ( 17.126 -1.616 0.335) 17.205 44.383 ( -4.045 -0.029 -0.442) 4.069 45.138 ( 4.262 0.885 0.169) 4.356 ======================= Grid point 34 (28/125) ======================= q-point: (-0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -6.431 -9.860 6.125) 13.270 1.138 ( -15.412 -0.120 -4.116) 15.952 2.184 ( 2.656 2.213 -1.341) 3.708 2.260 ( 4.565 3.661 0.621) 5.884 2.356 ( -1.107 -5.051 -2.449) 5.722 2.514 ( 10.628 5.987 6.644) 13.890 2.693 ( 0.020 8.294 -3.087) 8.849 2.911 ( -1.236 -0.207 0.098) 1.257 3.179 ( 10.359 -7.156 -1.145) 12.642 3.550 ( 6.904 -3.617 -1.522) 7.941 3.631 ( -1.185 -0.280 1.515) 1.944 3.799 ( 4.725 4.182 2.690) 6.859 3.814 ( -2.745 -4.503 -6.233) 8.165 4.111 ( 3.810 2.288 2.289) 4.999 4.239 ( -12.796 3.991 2.249) 13.591 4.466 ( -8.984 1.792 -2.727) 9.558 4.974 ( 4.381 -3.383 -0.142) 5.537 5.291 ( 15.070 5.592 2.770) 16.311 5.980 ( 1.312 -0.541 0.878) 1.669 6.048 ( 4.349 -2.953 -0.745) 5.309 6.221 ( -5.561 -3.471 1.168) 6.659 6.783 ( -3.713 -6.755 -3.069) 8.297 7.191 ( 1.493 8.969 2.080) 9.327 7.696 ( -5.561 -5.387 2.769) 8.223 7.866 ( -5.325 7.895 -5.503) 10.998 8.210 ( 11.545 -5.684 1.444) 12.949 8.988 ( -1.291 3.489 0.933) 3.835 11.575 ( 0.407 1.270 -0.442) 1.405 11.872 ( 0.693 -0.998 -1.752) 2.132 11.923 ( 0.022 -1.310 3.572) 3.805 12.093 ( 0.119 1.529 -0.952) 1.805 13.866 ( 1.186 -6.388 2.202) 6.861 13.970 ( 1.556 8.040 -1.416) 8.311 14.010 ( -3.394 -1.133 -0.684) 3.643 14.175 ( 1.408 -1.593 -0.473) 2.178 17.414 ( 7.520 3.333 -0.182) 8.227 17.557 ( 8.538 4.346 0.587) 9.598 18.518 ( -4.375 -4.108 0.838) 6.060 18.698 ( -5.814 -2.056 -0.949) 6.239 19.431 ( -0.220 -0.594 0.090) 0.640 19.601 ( -0.358 0.886 0.056) 0.957 20.102 ( 0.286 0.662 -0.924) 1.172 20.135 ( 0.354 -0.713 0.835) 1.154 20.386 ( -3.504 0.408 -0.081) 3.529 21.405 ( 0.394 0.133 -0.062) 0.420 22.526 ( -0.203 -0.116 0.044) 0.238 22.554 ( -0.212 -0.142 -0.002) 0.255 28.471 ( -3.199 0.973 -1.771) 3.783 28.584 ( -0.787 -3.015 2.437) 3.955 28.753 ( -2.688 -0.798 0.182) 2.810 28.807 ( -1.982 1.525 -0.958) 2.678 33.416 ( 0.185 -0.010 0.068) 0.197 33.424 ( 0.031 0.043 -0.068) 0.086 36.323 ( 5.811 2.253 1.516) 6.414 36.567 ( -1.753 -2.522 0.900) 3.201 37.164 ( -9.571 -2.553 -3.597) 10.538 37.778 ( 7.408 1.808 0.590) 7.649 41.699 ( -0.050 -2.932 -0.665) 3.007 41.785 ( -1.176 3.875 -0.816) 4.131 42.387 ( -5.558 -2.155 1.411) 6.125 43.921 ( 16.302 -2.308 3.035) 16.742 44.343 ( -0.692 1.394 -1.486) 2.152 45.206 ( 3.221 1.094 -0.972) 3.538 ======================= Grid point 35 (29/125) ======================= q-point: (-0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 2.676 -3.340 3.317) 5.415 0.940 ( -11.952 5.157 4.003) 13.619 2.192 ( -4.554 1.640 -0.584) 4.875 2.341 ( 9.546 -2.099 -3.242) 10.298 2.362 ( 2.095 -0.624 1.259) 2.523 2.588 ( -8.694 0.570 3.539) 9.404 2.798 ( 12.880 2.810 1.913) 13.321 3.030 ( 11.718 0.977 -3.831) 12.367 3.302 ( 7.458 0.714 -2.885) 8.028 3.479 ( -7.679 -0.974 -4.946) 9.186 3.598 ( -3.704 4.748 -3.604) 7.018 3.730 ( 2.250 -6.934 3.058) 7.905 3.950 ( 1.762 5.835 -1.820) 6.361 4.104 ( -6.340 1.092 4.691) 7.962 4.124 ( -1.964 -8.842 0.384) 9.066 4.435 ( 2.896 0.572 3.143) 4.312 5.033 ( 15.196 -11.649 -3.201) 19.413 5.587 ( 7.651 13.094 5.578) 16.159 5.909 ( -5.378 -2.567 -1.214) 6.081 6.097 ( 3.526 2.225 -3.942) 5.737 6.196 ( 3.445 -5.243 1.997) 6.584 6.688 ( 1.827 -6.950 -2.089) 7.483 7.302 ( 0.769 8.263 2.335) 8.621 7.550 ( -7.590 -8.138 4.410) 11.970 7.772 ( -9.939 8.650 -5.540) 14.294 8.372 ( 14.753 -8.385 -2.167) 17.107 9.035 ( 0.580 5.289 5.557) 7.693 11.599 ( 1.833 0.321 -0.508) 1.929 11.837 ( -1.210 -1.677 -1.259) 2.421 11.930 ( -2.111 0.429 3.487) 4.099 12.111 ( 0.681 2.076 -1.859) 2.869 13.841 ( 1.036 -5.808 1.260) 6.033 13.959 ( -0.226 -1.343 -0.685) 1.524 14.073 ( 2.471 7.574 -0.374) 7.976 14.168 ( 0.792 -1.851 -1.420) 2.464 17.589 ( 9.510 3.534 -0.486) 10.157 17.753 ( 9.447 3.519 0.982) 10.129 18.397 ( -5.439 -4.051 0.715) 6.819 18.548 ( -7.874 -3.290 -1.449) 8.656 19.435 ( 1.254 -0.928 0.537) 1.650 19.605 ( -0.414 0.968 0.381) 1.119 20.093 ( -0.039 -0.185 -1.025) 1.042 20.148 ( 0.402 0.032 0.558) 0.689 20.347 ( -2.495 0.538 2.121) 3.319 21.415 ( 0.858 -0.134 0.002) 0.869 22.521 ( -0.308 -0.063 0.047) 0.317 22.549 ( -0.325 -0.071 -0.050) 0.336 28.395 ( -4.429 -0.238 -1.365) 4.641 28.576 ( -1.893 1.287 2.501) 3.390 28.688 ( -5.133 -0.361 -0.542) 5.174 28.762 ( -4.633 2.245 -0.649) 5.189 33.420 ( 0.215 -0.026 0.100) 0.238 33.424 ( 0.115 -0.025 -0.119) 0.168 36.451 ( 4.850 4.797 -0.681) 6.855 36.540 ( -0.155 -2.605 5.876) 6.430 36.952 ( -8.331 -5.213 -6.840) 11.973 37.896 ( 5.693 1.213 -0.900) 5.890 41.661 ( -0.311 -3.081 -1.733) 3.548 41.795 ( -0.911 3.470 -0.208) 3.593 42.291 ( -7.339 0.679 2.105) 7.665 44.114 ( 10.803 -4.236 -1.894) 11.757 44.368 ( 2.452 2.248 -2.204) 3.990 45.235 ( 1.048 0.636 -3.215) 3.441 ======================= Grid point 37 (30/125) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 12.955 0.895 3.355) 13.412 1.104 ( 1.047 0.454 13.707) 13.754 2.163 ( 0.428 -5.606 0.502) 5.645 2.224 ( -13.595 4.045 -6.574) 15.634 2.440 ( -1.520 4.414 -1.948) 5.058 2.600 ( 7.485 -1.813 -1.714) 7.890 2.849 ( -0.580 -10.835 0.908) 10.889 2.868 ( -3.351 -3.703 -0.859) 5.067 3.192 ( 9.378 -2.479 -10.514) 14.305 3.479 ( 1.546 -1.651 2.072) 3.068 3.674 ( 3.923 3.612 -5.082) 7.367 3.742 ( 3.765 -3.714 7.951) 9.549 3.915 ( -1.995 -6.793 1.362) 7.210 4.070 ( 2.900 1.278 4.389) 5.413 4.165 ( -12.917 16.149 4.571) 21.178 4.482 ( -0.650 -1.164 2.293) 2.652 4.852 ( 15.119 -13.290 -4.807) 20.696 5.785 ( -3.363 -4.447 -2.936) 6.301 5.945 ( -4.007 -3.885 -1.255) 5.721 6.045 ( 1.538 -7.131 -7.003) 10.112 6.171 ( 7.536 7.904 3.528) 11.477 6.643 ( 6.396 5.034 -0.588) 8.161 7.256 ( -7.431 -6.292 5.151) 11.016 7.643 ( 2.976 3.767 2.511) 5.418 7.796 ( -9.608 12.382 -2.150) 15.819 8.230 ( 9.809 -10.313 -2.289) 14.415 9.197 ( 3.158 -8.190 5.056) 10.130 11.583 ( 0.683 -1.350 0.292) 1.541 11.832 ( 0.848 1.442 -0.235) 1.689 11.982 ( -0.982 1.726 -2.084) 2.879 12.054 ( -3.946 -0.671 -0.137) 4.005 13.792 ( 1.118 0.417 -1.389) 1.831 13.950 ( 1.965 1.016 2.367) 3.240 14.104 ( -1.871 -2.873 -1.500) 3.742 14.175 ( 1.772 -0.354 -0.553) 1.889 17.579 ( 1.419 -9.435 -0.315) 9.547 17.755 ( 0.981 -10.612 -0.312) 10.662 18.405 ( 0.196 6.158 -0.974) 6.238 18.528 ( -0.889 9.465 0.199) 9.509 19.442 ( 1.675 -0.908 0.580) 1.992 19.622 ( -0.204 -0.052 0.294) 0.361 20.099 ( 1.046 0.312 0.307) 1.134 20.132 ( -1.192 -0.856 -0.103) 1.471 20.414 ( 2.074 -0.921 4.325) 4.884 21.418 ( 0.797 -0.837 0.296) 1.193 22.521 ( -0.182 0.304 -0.083) 0.364 22.547 ( -0.180 0.360 -0.088) 0.411 28.408 ( 0.051 4.493 1.150) 4.638 28.557 ( -5.227 0.833 -2.501) 5.854 28.676 ( -2.533 4.042 1.090) 4.893 28.781 ( -2.761 3.129 0.514) 4.204 33.418 ( -0.050 -0.159 -0.117) 0.204 33.425 ( 0.238 -0.086 0.084) 0.266 36.378 ( -5.897 -5.737 -2.359) 8.559 36.569 ( -0.281 2.309 -4.464) 5.033 36.984 ( 7.633 9.028 7.378) 13.935 37.862 ( -0.726 -3.773 -3.757) 5.374 41.630 ( 1.111 2.608 -0.900) 2.975 41.850 ( 0.778 -1.243 2.086) 2.550 42.291 ( -5.718 5.838 -0.234) 8.175 43.888 ( -7.647 0.547 -18.643) 20.158 44.368 ( 1.704 -2.207 2.519) 3.758 45.189 ( -1.284 -0.510 -1.004) 1.708 ======================= Grid point 38 (31/125) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 1.503 -2.872 10.036) 10.547 1.305 ( 4.637 6.866 17.469) 19.333 2.046 ( -7.613 -0.393 -8.258) 11.238 2.074 ( -1.592 -5.831 -1.779) 6.301 2.404 ( -3.947 15.763 -4.307) 16.811 2.646 ( -3.479 -8.839 1.985) 9.704 2.736 ( 5.890 -6.511 -6.013) 10.642 2.914 ( 13.692 -8.597 -6.217) 17.321 3.259 ( 5.865 -3.798 1.190) 7.088 3.468 ( -5.793 -5.413 1.067) 8.000 3.689 ( 5.804 -4.493 -0.154) 7.342 3.810 ( 5.799 2.257 -0.279) 6.229 4.008 ( 11.159 -0.056 3.003) 11.556 4.138 ( -8.086 8.749 4.828) 12.854 4.151 ( -1.401 5.137 3.091) 6.157 4.428 ( -6.468 -0.422 2.346) 6.893 4.877 ( 6.632 -7.476 -4.267) 10.866 5.578 ( -3.926 -20.173 -8.691) 22.314 5.835 ( -4.398 -3.273 -0.969) 5.567 5.994 ( -0.990 -0.025 -3.652) 3.783 6.376 ( 7.036 5.705 4.689) 10.200 6.798 ( 5.814 8.351 -1.520) 10.289 7.159 ( -2.280 -4.203 5.535) 7.315 7.595 ( -9.197 0.500 -0.426) 9.220 7.874 ( 2.290 12.137 0.167) 12.353 8.267 ( 8.270 -9.600 -1.508) 12.760 9.163 ( 0.762 -13.367 5.409) 14.440 11.591 ( 1.109 -0.870 -0.087) 1.412 11.830 ( -1.905 -0.891 -0.581) 2.181 11.937 ( -2.219 -0.379 -3.768) 4.389 12.039 ( -0.115 4.398 1.571) 4.672 13.791 ( 0.006 -1.191 -2.149) 2.457 14.008 ( -1.789 -2.934 0.529) 3.477 14.045 ( 2.360 2.935 1.811) 4.179 14.200 ( 2.233 -0.957 -0.838) 2.570 17.553 ( 6.521 -8.062 -0.111) 10.370 17.684 ( 4.251 -11.809 -0.612) 12.565 18.423 ( -3.984 4.552 -0.506) 6.070 18.574 ( -5.041 8.920 -0.813) 10.278 19.469 ( 2.156 -0.654 0.678) 2.353 19.621 ( -0.118 -0.187 0.517) 0.563 20.080 ( -2.044 -1.935 -0.378) 2.840 20.139 ( 1.378 0.863 0.521) 1.707 20.472 ( 2.803 -2.062 5.097) 6.172 21.424 ( 0.829 -1.325 0.516) 1.645 22.519 ( -0.302 0.307 -0.141) 0.453 22.546 ( -0.303 0.430 -0.102) 0.535 28.469 ( -2.537 1.859 -1.226) 3.376 28.481 ( -1.369 6.109 1.137) 6.363 28.669 ( -3.779 4.538 -0.063) 5.905 28.781 ( -1.837 4.622 0.440) 4.994 33.415 ( -0.012 -0.180 -0.088) 0.201 33.429 ( 0.224 -0.131 0.055) 0.265 36.218 ( -5.453 -3.365 -4.060) 7.585 36.594 ( 1.615 2.590 -0.454) 3.086 37.215 ( 5.325 8.594 6.332) 11.929 37.768 ( -1.730 -5.108 -5.884) 7.981 41.677 ( 1.663 3.683 -1.722) 4.392 41.844 ( -0.889 -3.821 2.575) 4.693 42.284 ( -3.753 9.793 1.457) 10.589 43.602 ( -11.718 2.811 -23.222) 26.162 44.419 ( 3.974 -1.173 3.467) 5.403 45.143 ( -2.278 -1.614 -1.790) 3.316 ======================= Grid point 39 (32/125) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 5.892 11.332 11.118) 16.933 1.480 ( -4.809 6.055 9.500) 12.249 1.814 ( -1.311 -6.456 -0.748) 6.630 2.183 ( 5.716 5.443 -1.751) 8.084 2.455 ( -5.174 5.334 -0.148) 7.433 2.505 ( -2.079 -13.210 2.149) 13.544 2.722 ( 9.686 0.575 -12.928) 16.165 3.004 ( 7.441 -3.566 -8.856) 12.105 3.201 ( -9.559 -9.323 5.872) 14.587 3.403 ( 3.954 -2.293 0.633) 4.615 3.723 ( 4.346 -9.270 1.739) 10.385 3.954 ( 6.834 4.250 2.196) 8.342 4.096 ( -8.588 7.946 -1.986) 11.867 4.116 ( 3.294 -7.478 0.818) 8.212 4.213 ( 0.424 9.708 2.862) 10.130 4.344 ( -3.922 -1.111 2.414) 4.737 4.966 ( 9.770 2.212 -1.153) 10.083 5.239 ( -4.145 -25.093 -8.866) 26.934 5.749 ( -3.574 -0.818 -0.458) 3.695 5.911 ( -6.024 -2.440 -2.552) 6.982 6.559 ( 6.495 4.804 5.654) 9.861 6.916 ( 1.386 4.989 -0.130) 5.180 7.196 ( 5.155 0.473 1.715) 5.454 7.435 ( -10.511 0.965 -0.636) 10.574 7.999 ( 1.896 7.093 -0.846) 7.390 8.298 ( 6.285 -7.504 -0.454) 9.799 9.070 ( -1.314 -11.985 4.762) 12.963 11.576 ( -1.516 -1.318 -1.237) 2.360 11.788 ( -0.492 -1.079 -0.373) 1.244 11.902 ( -1.051 1.262 -0.594) 1.747 12.104 ( 1.777 4.281 -0.057) 4.636 13.736 ( -2.389 -3.488 -1.202) 4.396 13.972 ( -0.300 1.008 0.819) 1.333 14.130 ( 2.217 0.963 -0.230) 2.428 14.212 ( 1.518 -1.270 0.021) 1.979 17.632 ( 9.849 -5.180 0.742) 11.153 17.676 ( 6.503 -8.609 -0.989) 10.834 18.369 ( -5.752 2.576 0.050) 6.302 18.513 ( -9.111 5.330 -1.523) 10.664 19.503 ( 1.936 -0.149 0.627) 2.040 19.621 ( -0.243 -0.114 0.714) 0.763 20.025 ( -1.960 -1.983 -0.622) 2.857 20.170 ( 1.048 0.644 0.431) 1.303 20.519 ( 1.767 -2.180 4.054) 4.930 21.425 ( 0.493 -1.401 0.537) 1.580 22.515 ( -0.299 0.184 -0.135) 0.376 22.544 ( -0.307 0.305 -0.090) 0.442 28.416 ( -3.071 2.021 -1.291) 3.897 28.549 ( -0.068 3.819 2.065) 4.342 28.662 ( -1.483 5.229 -0.859) 5.503 28.807 ( -0.808 4.637 0.319) 4.718 33.413 ( 0.031 -0.145 -0.056) 0.158 33.430 ( 0.113 -0.133 0.028) 0.177 36.112 ( -2.453 -1.465 -3.072) 4.195 36.643 ( 1.479 2.067 0.922) 2.703 37.358 ( 0.435 5.125 4.498) 6.832 37.671 ( -0.280 -3.304 -5.881) 6.751 41.698 ( -0.891 1.488 -2.550) 3.084 41.810 ( -0.603 -2.336 2.388) 3.395 42.370 ( 0.026 10.379 4.103) 11.160 43.336 ( -7.091 2.770 -20.206) 21.593 44.496 ( 3.393 -0.049 3.213) 4.673 45.074 ( -2.305 -2.154 -2.595) 4.085 ======================= Grid point 40 (33/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -5.592 3.473 -2.515) 7.047 1.518 ( 8.952 13.213 9.161) 18.402 1.882 ( 4.152 -3.408 4.388) 6.936 2.130 ( -7.135 -3.927 3.888) 9.025 2.328 ( -4.293 -3.561 -6.787) 8.785 2.546 ( 3.723 4.153 3.488) 6.579 2.808 ( 1.684 -0.759 -11.053) 11.206 2.937 ( 0.167 -0.038 -3.638) 3.642 3.090 ( 1.943 -8.697 4.687) 10.069 3.384 ( -2.406 -3.288 -0.582) 4.115 3.691 ( -4.410 -2.346 -2.584) 5.624 3.966 ( -8.610 6.975 2.228) 11.303 4.093 ( 1.595 1.619 2.258) 3.204 4.176 ( 14.429 -10.911 -1.090) 18.123 4.278 ( -3.774 1.399 3.012) 5.027 4.376 ( 1.845 14.995 2.764) 15.358 4.843 ( -5.930 -23.774 -2.485) 24.628 5.190 ( 6.781 2.090 -4.408) 8.354 5.711 ( -0.768 0.644 -0.124) 1.010 5.779 ( -3.138 -2.016 -1.750) 4.120 6.715 ( 3.204 2.845 3.764) 5.703 6.934 ( -0.252 0.236 -0.653) 0.738 7.236 ( -4.348 2.490 -1.413) 5.206 7.374 ( 2.955 0.797 2.034) 3.675 8.038 ( -1.593 2.991 -0.917) 3.511 8.312 ( 2.687 -5.249 -0.315) 5.905 8.993 ( -1.001 -5.565 2.543) 6.200 11.534 ( -0.914 -0.586 -0.517) 1.203 11.781 ( 0.247 -0.360 -0.470) 0.641 11.910 ( 0.317 0.929 -0.068) 0.984 12.151 ( 0.383 2.146 -0.122) 2.183 13.676 ( -0.599 -1.922 -0.358) 2.045 14.016 ( 1.738 3.836 1.136) 4.362 14.108 ( -1.400 -3.780 -1.327) 4.244 14.228 ( 0.261 0.025 0.149) 0.301 17.667 ( -0.106 -5.306 0.223) 5.312 17.705 ( 0.206 -2.385 -0.398) 2.427 18.344 ( 1.066 1.797 -0.277) 2.108 18.436 ( -1.192 2.476 -0.444) 2.784 19.526 ( 0.636 -0.072 -0.031) 0.641 19.619 ( -0.693 0.051 1.058) 1.266 19.988 ( -0.230 -0.911 -0.679) 1.159 20.186 ( 0.236 0.121 0.259) 0.371 20.537 ( 0.027 -1.216 2.094) 2.422 21.421 ( -0.018 -0.852 0.315) 0.909 22.513 ( 0.000 0.086 -0.071) 0.111 22.543 ( -0.002 0.159 -0.056) 0.169 28.397 ( -0.851 1.457 -0.038) 1.687 28.578 ( 0.855 1.496 -0.093) 1.726 28.696 ( 0.395 3.056 -0.031) 3.082 28.834 ( -0.488 2.910 0.339) 2.970 33.413 ( 0.025 -0.092 -0.032) 0.100 33.430 ( -0.025 -0.066 0.015) 0.072 36.073 ( 0.421 -0.803 -1.734) 1.957 36.678 ( 0.247 0.934 0.911) 1.328 37.398 ( -0.323 1.780 2.188) 2.839 37.626 ( -0.658 -0.404 -3.158) 3.251 41.671 ( -0.562 -0.187 -0.763) 0.966 41.809 ( -0.631 0.402 0.751) 1.060 42.486 ( 0.869 6.368 3.810) 7.472 43.194 ( 0.763 0.082 -12.295) 12.319 44.546 ( 0.315 0.225 1.938) 1.977 45.018 ( -0.495 -1.371 -1.739) 2.269 ======================= Grid point 41 (34/125) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -8.084 3.004 -4.107) 9.553 1.630 ( 1.992 -10.609 1.824) 10.948 1.885 ( 2.118 0.280 -2.626) 3.385 2.135 ( -1.708 5.432 3.489) 6.678 2.288 ( 0.513 10.154 -3.864) 10.876 2.506 ( -6.442 -3.525 3.335) 8.065 2.728 ( -2.979 -2.148 -0.571) 3.717 2.941 ( -0.255 -12.302 8.100) 14.732 3.162 ( 10.411 3.499 -6.195) 12.610 3.361 ( -0.173 5.208 1.493) 5.421 3.519 ( -13.748 8.834 -7.385) 17.932 3.947 ( -3.827 1.009 2.958) 4.941 4.102 ( -2.439 -2.952 0.617) 3.879 4.151 ( -2.441 -3.381 -1.623) 4.474 4.377 ( 8.625 -3.226 1.943) 9.412 4.545 ( 3.498 -8.995 3.209) 10.171 4.684 ( 4.818 13.066 3.279) 14.306 5.106 ( -9.050 -7.636 -3.619) 12.381 5.734 ( 2.437 1.556 -0.901) 3.029 5.835 ( 7.403 4.473 -0.634) 8.673 6.680 ( -6.434 -3.030 -2.215) 7.449 6.974 ( 3.952 -0.021 -0.378) 3.970 7.170 ( -7.047 2.545 1.839) 7.715 7.463 ( 7.694 -1.787 0.350) 7.907 8.011 ( -4.577 1.858 2.098) 5.367 8.275 ( -1.474 -3.535 -1.778) 4.223 8.977 ( 0.096 1.672 -0.259) 1.695 11.543 ( 1.440 0.834 0.850) 1.868 11.781 ( 0.488 0.180 -1.047) 1.169 11.914 ( 0.124 -0.557 0.189) 0.601 12.149 ( -1.361 -0.492 -0.056) 1.448 13.690 ( 2.906 0.792 0.048) 3.012 14.035 ( -1.885 -3.965 -1.184) 4.548 14.088 ( 1.654 3.528 1.456) 4.160 14.211 ( -2.265 -0.354 -0.329) 2.316 17.576 ( -7.310 0.202 -0.761) 7.352 17.588 ( -10.870 -0.144 0.511) 10.883 18.410 ( 6.622 -0.475 -1.062) 6.723 18.544 ( 9.880 0.419 1.363) 9.983 19.515 ( -1.354 -0.454 -0.751) 1.614 19.615 ( -0.775 0.365 1.011) 1.325 19.998 ( 1.932 0.673 -0.406) 2.086 20.182 ( -0.634 -0.468 0.091) 0.793 20.525 ( -1.636 -0.048 0.009) 1.637 21.415 ( -0.411 0.013 0.024) 0.412 22.516 ( 0.358 -0.013 0.012) 0.359 22.546 ( 0.342 0.011 -0.010) 0.342 28.415 ( 1.424 0.615 0.993) 1.842 28.610 ( 2.807 -0.146 -1.888) 3.386 28.712 ( 0.370 -0.952 0.570) 1.169 28.845 ( -0.535 0.568 0.389) 0.871 33.412 ( 0.006 -0.032 -0.011) 0.034 33.429 ( -0.129 0.033 0.008) 0.134 36.085 ( 2.684 -0.406 -0.323) 2.733 36.674 ( -1.370 -0.573 0.168) 1.495 37.446 ( 4.015 0.239 0.985) 4.141 37.575 ( -4.842 1.115 -0.668) 5.014 41.684 ( 1.948 0.018 1.126) 2.250 41.798 ( -1.811 1.463 -0.570) 2.397 42.526 ( -0.554 -1.064 -0.491) 1.296 43.222 ( 8.740 -1.010 -0.220) 8.801 44.526 ( -3.450 -0.195 -0.466) 3.487 45.025 ( 2.347 0.474 0.496) 2.445 ======================= Grid point 43 (35/125) ======================= q-point: (-0.33 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -13.641 -0.931 -6.857) 15.296 1.563 ( -8.371 -2.546 -7.486) 11.515 1.936 ( 13.108 -3.152 1.260) 13.540 2.103 ( -2.562 -1.654 -1.810) 3.546 2.426 ( 1.337 17.820 -1.682) 17.950 2.515 ( -0.721 3.700 8.431) 9.236 2.659 ( -3.298 -2.586 3.264) 5.312 2.809 ( -2.116 -17.062 6.639) 18.430 3.265 ( -2.830 0.935 -6.757) 7.386 3.404 ( 2.607 4.760 -2.150) 5.837 3.482 ( -1.789 14.448 2.020) 14.698 3.852 ( -6.713 -2.805 0.454) 7.290 4.038 ( -7.791 -0.003 -1.482) 7.931 4.083 ( -0.077 2.874 -1.263) 3.140 4.372 ( 0.394 -2.055 -0.999) 2.318 4.632 ( 16.182 -20.313 -0.525) 25.975 4.858 ( -9.739 -3.912 -0.830) 10.528 5.007 ( 4.400 26.332 7.986) 27.866 5.794 ( 4.403 1.000 -0.178) 4.519 5.972 ( 4.731 2.035 0.104) 5.151 6.508 ( -8.704 -4.307 -2.612) 10.057 6.946 ( -3.736 -8.210 -0.597) 9.039 7.130 ( -0.825 5.810 -1.309) 6.013 7.595 ( 9.628 -0.059 -0.329) 9.634 7.969 ( -4.740 -0.293 5.878) 7.557 8.188 ( -4.267 -1.283 -4.008) 5.994 9.012 ( -0.100 6.762 -1.372) 6.900 11.577 ( 0.471 0.724 0.584) 1.042 11.798 ( 2.286 0.901 0.004) 2.457 11.915 ( 0.343 -0.749 1.021) 1.312 12.111 ( -1.355 -1.861 -0.661) 2.395 13.762 ( 4.202 0.318 1.008) 4.333 13.982 ( -0.971 -0.124 -1.048) 1.434 14.128 ( 0.142 -2.093 -0.432) 2.141 14.156 ( -3.565 1.778 0.505) 4.016 17.434 ( -8.675 4.123 -0.405) 9.613 17.504 ( -4.982 5.518 0.685) 7.466 18.495 ( 5.670 -2.888 -0.258) 6.368 18.681 ( 7.016 -3.285 0.958) 7.806 19.476 ( -2.165 -0.433 -0.692) 2.314 19.615 ( -0.521 0.679 0.330) 0.917 20.045 ( 2.639 1.538 -0.083) 3.055 20.160 ( -1.240 -0.949 -0.086) 1.564 20.488 ( -2.817 0.725 -1.575) 3.308 21.410 ( -0.534 0.596 -0.158) 0.815 22.522 ( 0.402 -0.173 0.076) 0.444 22.552 ( 0.360 -0.190 0.027) 0.407 28.461 ( 2.734 0.271 1.425) 3.095 28.604 ( -0.100 -3.942 -2.113) 4.474 28.726 ( 3.037 -2.012 0.352) 3.660 28.835 ( -0.561 -0.944 0.218) 1.119 33.412 ( 0.041 0.038 0.021) 0.060 33.427 ( -0.182 0.088 -0.011) 0.202 36.147 ( 4.782 0.776 1.233) 4.999 36.634 ( -2.224 -1.803 -0.047) 2.863 37.424 ( -3.829 -6.576 -4.609) 8.896 37.590 ( 2.066 6.877 4.735) 8.601 41.712 ( 0.392 -2.822 2.154) 3.571 41.793 ( -0.263 4.590 -1.858) 4.959 42.466 ( -0.644 -6.313 -1.984) 6.649 43.425 ( 13.929 -0.880 8.595) 16.391 44.447 ( -4.832 -0.065 -2.001) 5.231 45.091 ( 3.636 1.682 1.196) 4.181 ======================= Grid point 44 (36/125) ======================= q-point: (-0.22 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -13.269 2.076 -0.277) 13.433 1.294 ( -11.691 -1.962 -9.952) 15.478 2.125 ( 6.944 1.881 -3.028) 7.805 2.140 ( 9.298 -1.057 3.427) 9.965 2.436 ( -10.937 3.602 -0.434) 11.523 2.618 ( -4.834 12.692 5.262) 14.565 2.693 ( 6.811 7.418 -2.086) 10.284 2.802 ( 17.841 -17.316 8.274) 26.203 3.086 ( -13.719 0.196 -0.954) 13.753 3.459 ( 0.366 3.575 -1.724) 3.985 3.626 ( 4.638 2.363 4.038) 6.588 3.775 ( -0.260 1.286 -2.182) 2.546 3.871 ( -8.670 0.314 -4.273) 9.670 4.116 ( -0.608 2.128 -1.416) 2.627 4.412 ( 1.109 6.495 -0.236) 6.593 4.544 ( -0.220 -12.069 -5.292) 13.180 4.755 ( -1.232 -9.619 -0.205) 9.700 5.372 ( 4.863 24.770 10.276) 27.254 5.892 ( 6.885 0.114 1.300) 7.008 6.003 ( -0.129 -2.446 0.555) 2.512 6.311 ( -9.282 -4.794 -1.181) 10.513 6.778 ( -5.840 -7.622 -1.949) 9.798 7.207 ( 4.634 5.984 -2.782) 8.064 7.697 ( 2.294 -1.173 -1.243) 2.860 7.958 ( 2.422 -4.340 6.880) 8.487 8.084 ( -5.484 2.076 -4.903) 7.643 9.065 ( -1.358 8.548 -0.818) 8.694 11.578 ( -0.281 0.232 -0.409) 0.547 11.846 ( 1.165 0.476 -0.649) 1.416 11.932 ( 1.017 -0.529 4.465) 4.610 12.084 ( 0.738 -0.364 -2.011) 2.173 13.803 ( 1.668 -3.637 2.029) 4.486 14.002 ( 1.029 4.605 -1.484) 4.946 14.050 ( -3.069 -2.396 -1.553) 4.192 14.156 ( -0.624 0.378 0.965) 1.209 17.411 ( -0.916 7.652 0.001) 7.707 17.548 ( 1.137 9.636 0.700) 9.728 18.509 ( 0.592 -5.653 0.745) 5.733 18.695 ( 0.440 -7.018 -0.217) 7.035 19.441 ( -1.512 -0.100 -0.374) 1.561 19.616 ( -0.320 0.780 0.040) 0.844 20.094 ( 1.507 1.366 -0.265) 2.051 20.132 ( -0.732 -0.964 0.014) 1.211 20.436 ( -3.067 0.865 -1.958) 3.740 21.407 ( -0.363 0.630 -0.180) 0.749 22.525 ( 0.159 -0.297 0.100) 0.352 22.553 ( 0.110 -0.341 0.031) 0.360 28.494 ( -0.896 -1.024 -1.234) 1.837 28.556 ( 2.010 -3.878 1.780) 4.716 28.745 ( 1.437 -2.499 -0.474) 2.922 28.823 ( 0.129 -0.676 -0.314) 0.757 33.415 ( 0.111 0.083 0.067) 0.154 33.425 ( -0.155 0.077 -0.054) 0.181 36.263 ( 6.337 3.057 2.299) 7.402 36.582 ( -2.048 -2.570 1.259) 3.519 37.229 ( -8.086 -7.650 -5.853) 12.576 37.729 ( 4.300 5.463 3.392) 7.735 41.679 ( -1.128 -3.572 0.687) 3.808 41.826 ( -0.323 4.221 -1.812) 4.605 42.399 ( 0.300 -6.103 0.224) 6.114 43.709 ( 14.308 -0.877 11.011) 18.075 44.371 ( -3.030 1.083 -2.514) 4.084 45.165 ( 3.057 1.526 0.109) 3.418 ======================= Grid point 45 (37/125) ======================= q-point: (-0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -9.548 -2.279 3.817) 10.532 1.115 ( -5.713 1.666 -4.562) 7.499 2.162 ( 1.318 -4.435 -0.018) 4.627 2.262 ( -0.993 4.893 -1.742) 5.288 2.391 ( 3.156 4.683 5.921) 8.182 2.695 ( 1.785 6.707 -2.260) 7.299 2.741 ( 1.401 -2.924 -7.645) 8.304 2.919 ( -6.371 -0.191 6.810) 9.327 3.124 ( 18.371 1.578 5.402) 19.214 3.492 ( 1.414 0.217 -2.899) 3.233 3.650 ( -1.167 -0.118 0.990) 1.534 3.689 ( -3.337 -1.650 -3.220) 4.922 3.926 ( 6.095 6.974 0.169) 9.264 4.076 ( -1.664 -3.686 -2.366) 4.686 4.371 ( -13.745 5.564 1.605) 14.916 4.452 ( -4.595 -0.964 -0.481) 4.719 4.654 ( 9.698 -15.821 -4.032) 18.990 5.701 ( 4.180 19.538 6.654) 21.059 5.952 ( -3.883 -2.723 1.342) 4.929 6.007 ( 6.484 -2.056 2.477) 7.239 6.157 ( -3.040 -3.577 -1.658) 4.978 6.626 ( -3.386 -6.272 -3.050) 7.753 7.327 ( 4.934 6.285 -1.540) 8.137 7.620 ( -6.031 -5.594 1.238) 8.319 7.982 ( -10.001 9.850 -2.136) 14.198 8.064 ( 12.944 -10.403 0.600) 16.617 9.111 ( -1.146 6.356 0.933) 6.526 11.580 ( 0.587 0.265 -0.510) 0.822 11.830 ( -0.837 -1.461 -0.362) 1.722 11.976 ( 0.095 0.699 3.739) 3.805 12.098 ( 1.532 1.086 -2.047) 2.778 13.796 ( 0.557 -3.368 1.755) 3.838 13.955 ( -1.959 -2.156 -2.613) 3.913 14.090 ( 2.161 4.206 1.073) 4.848 14.151 ( -0.534 0.446 -0.434) 0.820 17.519 ( 4.596 7.408 -0.071) 8.718 17.690 ( 4.883 8.049 0.695) 9.440 18.432 ( -3.353 -6.076 1.052) 7.019 18.590 ( -3.812 -7.047 -1.108) 8.088 19.424 ( -0.314 -0.126 -0.009) 0.338 19.619 ( -0.167 0.665 0.177) 0.708 20.091 ( -0.677 -0.295 -0.700) 1.017 20.142 ( 0.956 0.395 0.334) 1.087 20.392 ( -2.085 0.561 -0.652) 2.255 21.408 ( 0.023 0.273 -0.093) 0.289 22.524 ( -0.068 -0.222 0.072) 0.243 22.550 ( -0.077 -0.241 0.001) 0.253 28.429 ( -2.255 -2.270 -1.243) 3.432 28.600 ( 1.881 0.199 2.615) 3.228 28.723 ( -0.982 -1.700 -1.014) 2.210 28.813 ( -0.875 0.042 -0.532) 1.025 33.418 ( 0.135 0.059 0.108) 0.183 33.423 ( -0.057 0.021 -0.106) 0.122 36.411 ( 5.566 5.187 0.053) 7.609 36.558 ( 0.128 -2.284 6.178) 6.588 36.981 ( -8.626 -7.672 -7.767) 13.914 37.844 ( 3.313 2.993 1.376) 4.672 41.637 ( -0.664 -2.591 -0.228) 2.685 41.832 ( -0.981 2.380 -1.312) 2.890 42.364 ( -0.926 -2.460 1.462) 3.008 43.943 ( 8.884 -1.544 6.006) 10.834 44.352 ( 0.407 1.878 -1.709) 2.572 45.206 ( 1.405 0.678 -1.306) 2.035 ======================= Grid point 93 (38/125) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 0.000 -0.000 17.640) 17.640 0.336 ( 0.000 -0.000 17.640) 17.640 0.698 ( 0.000 -0.000 36.046) 36.046 2.756 ( 0.000 -0.000 0.062) 0.062 2.763 ( -0.000 0.000 -10.299) 10.299 2.763 ( -0.000 0.000 -10.299) 10.299 3.282 ( -0.000 0.000 -0.403) 0.403 3.282 ( 0.000 0.000 -0.403) 0.403 3.560 ( -0.000 0.000 -5.456) 5.456 3.560 ( -0.000 0.000 -5.456) 5.456 3.828 ( -0.000 0.000 -0.813) 0.813 3.936 ( 0.000 -0.000 6.411) 6.411 3.936 ( 0.000 -0.000 6.411) 6.411 4.080 ( -0.000 0.000 -0.266) 0.266 4.302 ( 0.000 -0.000 0.741) 0.741 4.302 ( 0.000 -0.000 0.741) 0.741 5.522 ( -0.000 0.000 -5.684) 5.684 5.632 ( 0.000 -0.000 2.502) 2.502 5.632 ( 0.000 -0.000 2.502) 2.502 5.850 ( 0.000 -0.000 2.262) 2.262 6.742 ( -0.000 0.000 -2.626) 2.626 6.824 ( -0.000 0.000 -6.847) 6.847 6.824 ( -0.000 0.000 -6.847) 6.847 7.371 ( 0.000 -0.000 5.063) 5.063 7.371 ( 0.000 -0.000 5.063) 5.063 9.117 ( -0.000 0.000 -0.537) 0.537 10.412 ( -0.000 0.000 -0.036) 0.036 11.671 ( 0.000 -0.000 0.463) 0.463 11.671 ( 0.000 -0.000 0.463) 0.463 11.811 ( -0.000 0.000 -0.267) 0.267 11.811 ( -0.000 0.000 -0.267) 0.267 14.054 ( 0.000 -0.000 0.243) 0.243 14.054 ( 0.000 -0.000 0.243) 0.243 14.194 ( -0.000 0.000 -0.358) 0.358 14.194 ( -0.000 0.000 -0.358) 0.358 17.409 ( -0.000 0.000 -1.708) 1.708 17.534 ( 0.000 -0.000 1.438) 1.438 18.666 ( 0.000 -0.000 0.576) 0.576 18.810 ( -0.000 0.000 -0.299) 0.299 19.567 ( -0.000 0.000 -0.152) 0.152 19.567 ( -0.000 0.000 -0.152) 0.152 20.129 ( 0.000 -0.000 0.306) 0.306 20.129 ( 0.000 -0.000 0.306) 0.306 21.378 ( -0.000 0.000 -6.083) 6.083 21.609 ( 0.000 -0.000 5.101) 5.101 22.520 ( -0.000 0.000 -0.019) 0.019 22.532 ( -0.000 0.000 -0.060) 0.060 28.166 ( 0.000 -0.000 0.397) 0.397 28.166 ( 0.000 -0.000 0.397) 0.397 28.374 ( -0.000 0.000 -0.335) 0.335 28.374 ( -0.000 0.000 -0.335) 0.335 33.428 ( -0.000 0.000 -0.201) 0.201 33.436 ( 0.000 -0.000 0.187) 0.187 36.432 ( -0.000 0.000 -7.637) 7.637 36.432 ( -0.000 0.000 -7.637) 7.637 36.894 ( 0.000 -0.000 8.319) 8.319 36.894 ( 0.000 -0.000 8.319) 8.319 41.632 ( -0.000 0.000 -2.426) 2.426 41.632 ( -0.000 0.000 -2.426) 2.426 41.845 ( 0.000 -0.000 2.902) 2.902 41.845 ( 0.000 -0.000 2.902) 2.902 44.490 ( 0.000 -0.000 3.225) 3.225 45.212 ( -0.000 0.000 -0.634) 0.634 ======================= Grid point 94 (39/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 16.776 19.652 7.841) 27.002 0.704 ( 15.899 -1.263 15.089) 21.956 1.004 ( 8.874 5.245 28.570) 30.372 2.579 ( -5.059 -3.300 -13.487) 14.778 2.704 ( -3.279 -1.781 -8.291) 9.092 2.741 ( -1.590 0.172 -0.175) 1.609 3.175 ( -5.343 -6.846 -3.426) 9.336 3.298 ( -0.290 -0.627 -3.103) 3.179 3.489 ( 1.307 -0.791 -3.943) 4.228 3.601 ( 0.105 -4.923 5.026) 7.036 3.697 ( -4.248 -8.459 -3.740) 10.177 3.833 ( -0.925 -0.546 -0.706) 1.285 3.946 ( -10.628 11.033 5.795) 16.379 4.208 ( -0.903 -7.257 5.189) 8.967 4.282 ( -5.112 8.718 -1.278) 10.186 4.306 ( 1.019 -1.591 4.024) 4.446 5.461 ( -2.691 0.394 -6.402) 6.956 5.683 ( 8.430 -6.819 -0.643) 10.862 5.828 ( 6.194 13.502 -3.278) 15.212 5.858 ( 1.895 -2.853 2.158) 4.048 6.515 ( -6.533 -10.119 -4.172) 12.746 6.779 ( -5.267 9.756 -7.598) 13.440 6.977 ( 10.633 3.621 -3.615) 11.800 7.441 ( 3.994 -2.639 5.518) 7.305 7.550 ( 7.336 7.468 -2.684) 10.807 8.960 ( -13.590 -7.676 -0.066) 15.608 9.886 ( -28.414 -18.298 23.759) 41.312 11.698 ( 1.887 0.619 0.105) 1.989 11.776 ( -0.913 -2.760 -0.491) 2.949 11.820 ( 1.158 1.009 -0.138) 1.542 11.900 ( 8.673 7.865 -8.965) 14.746 13.997 ( -4.134 -3.460 -0.211) 5.395 14.064 ( 0.216 1.205 0.443) 1.302 14.152 ( -5.002 0.270 -0.438) 5.028 14.190 ( 1.340 -2.707 -0.731) 3.108 17.491 ( 8.023 4.878 -1.749) 9.551 17.625 ( 7.199 4.153 1.449) 8.436 18.584 ( -7.188 -4.199 0.338) 8.332 18.715 ( -8.405 -4.868 -0.369) 9.720 19.554 ( -1.342 -0.021 -0.181) 1.354 19.579 ( 1.121 -0.200 0.052) 1.140 20.118 ( -0.270 -1.236 0.052) 1.266 20.140 ( -0.153 0.978 0.633) 1.175 20.875 ( -29.289 -16.834 20.953) 39.753 21.501 ( -2.797 -1.616 3.822) 5.004 22.518 ( -0.185 -0.098 -0.039) 0.213 22.531 ( 0.111 0.071 -0.161) 0.208 28.188 ( 3.237 -0.230 0.182) 3.250 28.287 ( 6.227 5.813 -1.334) 8.623 28.400 ( 2.380 3.005 -0.559) 3.874 28.436 ( 6.119 1.796 -0.123) 6.378 33.426 ( -0.085 -0.029 -0.178) 0.199 33.436 ( -0.121 -0.093 0.159) 0.220 36.446 ( -1.008 9.044 -7.718) 11.933 36.461 ( 4.276 -2.998 -5.919) 7.893 36.891 ( -0.515 -4.574 8.528) 9.691 37.590 ( 30.275 16.676 -21.592) 40.754 41.605 ( -0.128 -0.101 -2.528) 2.533 41.811 ( 2.932 -1.337 -0.967) 3.365 41.909 ( 3.284 3.163 2.513) 5.206 42.713 ( 66.155 40.781 -54.451) 94.892 44.496 ( -1.728 -0.950 4.073) 4.525 45.196 ( -0.804 -0.594 -0.894) 1.341 ======================= Grid point 95 (40/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 7.752 -4.257 11.546) 14.544 1.021 ( 6.685 5.329 19.266) 21.078 1.452 ( 23.069 14.378 5.175) 27.671 2.411 ( -4.494 0.821 -11.735) 12.593 2.536 ( -8.028 -3.024 -7.432) 11.350 2.733 ( 0.169 -1.408 0.856) 1.657 2.974 ( -8.397 -5.517 -2.977) 10.480 3.227 ( -2.283 -4.745 -6.340) 8.241 3.383 ( -11.293 -4.891 -1.415) 12.388 3.539 ( 0.785 -10.925 4.212) 11.735 3.632 ( 2.377 -3.775 -0.831) 4.538 3.810 ( -0.725 2.904 -1.593) 3.390 3.926 ( -5.370 5.961 3.479) 8.745 4.091 ( -7.865 -3.756 5.568) 10.343 4.226 ( -7.448 2.889 1.624) 8.152 4.422 ( 4.451 5.398 3.411) 7.784 5.340 ( -8.996 0.333 -6.908) 11.347 5.708 ( 3.616 -4.119 -5.257) 7.595 5.912 ( 8.239 -8.289 4.949) 12.692 5.970 ( 1.715 8.490 -2.416) 8.992 6.318 ( -4.847 -7.394 -4.883) 10.100 6.725 ( -5.650 6.275 -6.101) 10.417 7.181 ( 12.181 5.608 -3.472) 13.852 7.503 ( 1.312 -0.085 4.516) 4.704 7.618 ( -1.238 0.215 3.631) 3.842 8.657 ( -14.315 -6.619 -1.393) 15.832 9.567 ( -15.152 -12.009 16.392) 25.347 11.673 ( -3.204 -1.711 -1.232) 3.836 11.781 ( 2.604 -0.598 0.332) 2.692 11.870 ( 3.222 2.103 1.142) 4.014 11.984 ( 3.410 4.212 -6.710) 8.625 13.889 ( -4.972 -2.535 -0.706) 5.625 14.059 ( -6.017 -0.197 0.133) 6.022 14.089 ( 1.679 0.246 -0.159) 1.704 14.178 ( 0.853 -2.812 -0.925) 3.081 17.660 ( 6.562 4.704 -1.163) 8.157 17.799 ( 7.335 3.963 1.099) 8.409 18.430 ( -5.544 -3.706 -0.630) 6.698 18.501 ( -10.584 -5.960 -0.519) 12.158 19.520 ( -2.652 -0.603 0.523) 2.770 19.596 ( 1.337 -0.283 -0.028) 1.367 20.102 ( -0.020 -1.714 -0.029) 1.714 20.150 ( -0.565 1.356 0.633) 1.600 20.593 ( -11.697 -6.647 13.845) 19.306 21.471 ( -2.122 -1.251 1.903) 3.113 22.515 ( -0.038 0.008 -0.100) 0.107 22.535 ( 0.317 0.192 -0.186) 0.414 28.256 ( 4.836 0.591 0.180) 4.876 28.428 ( 5.317 6.834 -1.198) 8.741 28.486 ( 5.147 2.981 0.425) 5.963 28.574 ( 8.007 3.089 0.115) 8.583 33.423 ( -0.130 -0.011 -0.155) 0.203 33.432 ( -0.221 -0.185 0.114) 0.310 36.453 ( -0.380 2.587 -3.269) 4.186 36.465 ( 2.440 3.616 -8.613) 9.655 36.904 ( 0.266 -4.764 9.307) 10.459 37.828 ( 8.171 3.424 -11.563) 14.567 41.593 ( 0.365 0.253 -2.132) 2.178 41.834 ( 2.527 -3.003 1.256) 4.121 42.041 ( 6.330 6.450 0.801) 9.073 43.396 ( 31.964 21.229 -45.277) 59.349 44.471 ( -3.248 -1.671 4.466) 5.769 45.176 ( 0.048 -0.457 -1.257) 1.338 ======================= Grid point 96 (41/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -4.264 -8.884 10.066) 14.086 1.193 ( -0.950 -1.949 17.698) 17.830 1.953 ( 22.264 10.475 -4.681) 25.047 2.272 ( -6.879 2.236 -5.364) 9.005 2.388 ( -0.521 0.468 -10.262) 10.285 2.643 ( -5.854 -8.069 2.585) 10.299 2.926 ( -0.060 6.324 0.121) 6.325 3.046 ( -10.158 -0.428 -2.555) 10.483 3.165 ( -6.042 -8.385 -3.073) 10.783 3.498 ( 2.023 -5.679 0.347) 6.038 3.600 ( -1.463 -3.758 0.848) 4.120 3.848 ( -2.098 -2.541 3.790) 5.023 3.928 ( 5.288 0.699 0.049) 5.334 4.048 ( -1.303 4.905 4.460) 6.757 4.158 ( -6.691 4.409 2.457) 8.381 4.507 ( 0.168 0.275 1.384) 1.421 5.066 ( -18.416 -6.010 -5.490) 20.134 5.705 ( 5.532 -1.058 -7.528) 9.402 5.930 ( 1.737 -9.371 -3.088) 10.018 6.043 ( 5.589 -0.599 0.175) 5.624 6.210 ( -6.600 4.564 3.266) 8.664 6.634 ( -5.884 0.521 -2.061) 6.256 7.358 ( 4.835 4.847 -1.256) 6.960 7.551 ( 3.001 -3.086 2.907) 5.194 7.657 ( 4.497 3.696 3.459) 6.771 8.393 ( -12.671 -3.923 -1.993) 13.413 9.360 ( -9.893 -8.549 7.955) 15.305 11.608 ( -1.999 -1.312 -0.909) 2.558 11.807 ( 0.945 -0.071 0.051) 0.949 11.948 ( 2.510 2.557 -0.327) 3.598 12.032 ( 3.659 2.085 -2.615) 4.957 13.806 ( -3.045 -0.532 -1.307) 3.356 13.981 ( -3.832 -0.356 1.230) 4.040 14.109 ( 0.927 -0.167 -1.191) 1.518 14.161 ( 0.778 -2.135 -0.142) 2.277 17.693 ( -3.285 -1.253 -0.186) 3.521 17.868 ( -2.003 -0.558 0.295) 2.100 18.352 ( -1.958 -1.436 -0.457) 2.471 18.404 ( 3.677 1.421 -1.251) 4.135 19.475 ( -2.781 -0.774 0.986) 3.050 19.612 ( 1.046 -0.311 -0.383) 1.157 20.089 ( 0.244 -1.481 0.065) 1.502 20.155 ( -0.725 1.229 0.468) 1.502 20.491 ( -5.626 -3.190 7.244) 9.711 21.438 ( -1.718 -1.032 0.892) 2.194 22.516 ( 0.201 0.158 -0.145) 0.294 22.541 ( 0.362 0.216 -0.123) 0.439 28.337 ( 4.373 0.477 0.191) 4.403 28.541 ( 2.757 6.346 -1.707) 7.127 28.608 ( 6.007 2.061 1.310) 6.485 28.716 ( 6.281 2.371 0.363) 6.723 33.420 ( -0.111 0.015 -0.141) 0.180 33.428 ( -0.226 -0.195 0.098) 0.314 36.450 ( 2.873 -3.545 -2.634) 5.269 36.484 ( -0.860 9.458 -8.038) 12.442 36.929 ( 0.407 -4.912 10.339) 11.454 37.855 ( 1.846 0.486 -5.950) 6.248 41.593 ( 0.775 0.290 -1.386) 1.614 41.852 ( 1.476 -2.534 2.119) 3.618 42.209 ( 6.818 6.293 -0.397) 9.286 43.656 ( 15.740 11.448 -27.876) 33.998 44.428 ( -3.474 -1.711 4.010) 5.575 45.177 ( 1.298 -0.048 -1.020) 1.651 ======================= Grid point 97 (42/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -12.443 0.585 13.212) 18.159 1.183 ( -6.030 -6.688 7.779) 11.900 2.064 ( 2.899 -0.314 -6.073) 6.736 2.304 ( -2.455 -6.079 -3.150) 7.274 2.394 ( 6.992 6.136 -4.753) 10.447 2.611 ( 7.014 2.710 0.734) 7.555 2.836 ( -4.117 -2.092 2.757) 5.379 2.910 ( -6.472 -7.080 -5.853) 11.237 3.195 ( 2.692 15.370 3.276) 15.944 3.519 ( 4.579 1.165 -3.936) 6.149 3.560 ( -1.669 -1.523 2.425) 3.315 3.785 ( -5.104 -1.769 5.868) 7.976 3.998 ( 2.228 -0.689 0.286) 2.350 4.069 ( -4.082 -2.856 2.342) 5.505 4.260 ( 12.723 3.535 0.913) 13.237 4.474 ( -2.294 -3.006 0.834) 3.872 4.638 ( -18.497 -9.035 -3.364) 20.859 5.757 ( 7.580 -0.567 -11.407) 13.708 5.867 ( 2.399 -2.443 -2.887) 4.478 6.059 ( -6.014 3.460 -3.310) 7.687 6.210 ( -3.515 4.458 10.130) 11.613 6.577 ( -0.105 -1.969 3.516) 4.032 7.404 ( 0.167 -0.894 -1.074) 1.407 7.542 ( -1.111 -2.724 -0.357) 2.963 7.883 ( 14.273 6.474 1.428) 15.737 8.163 ( -12.262 -3.188 1.026) 12.711 9.203 ( -6.478 -4.578 0.890) 7.982 11.579 ( -0.008 -0.759 -0.589) 0.961 11.815 ( 0.093 0.316 0.297) 0.444 11.973 ( -0.111 1.578 -2.899) 3.303 12.098 ( 2.957 0.735 1.144) 3.255 13.766 ( -0.899 0.561 -2.071) 2.327 13.948 ( -1.164 -1.561 2.303) 3.016 14.110 ( 0.466 1.366 -1.254) 1.912 14.165 ( 0.822 -0.821 0.795) 1.407 17.615 ( -2.670 -1.389 0.096) 3.011 17.793 ( -3.522 -1.200 -0.431) 3.745 18.363 ( 0.801 1.842 -0.313) 2.033 18.482 ( 4.223 0.110 -0.839) 4.306 19.439 ( -1.743 -0.423 1.007) 2.057 19.616 ( 0.430 -0.346 -0.851) 1.014 20.085 ( 0.410 -0.795 0.236) 0.925 20.155 ( -0.616 0.738 0.284) 1.002 20.429 ( -3.801 -2.202 3.005) 5.323 21.415 ( -0.747 -0.460 0.311) 0.931 22.520 ( 0.166 0.113 -0.152) 0.252 22.547 ( 0.206 0.121 -0.046) 0.243 28.391 ( 2.137 -0.494 0.191) 2.202 28.604 ( 0.436 4.153 -1.448) 4.419 28.697 ( 2.505 0.161 1.094) 2.738 28.800 ( 2.323 0.411 0.426) 2.397 33.418 ( -0.023 0.042 -0.141) 0.149 33.424 ( -0.095 -0.100 0.125) 0.186 36.444 ( 3.720 -4.169 -4.558) 7.211 36.507 ( -1.735 9.203 -4.885) 10.563 36.953 ( -0.447 -4.972 11.051) 12.127 37.852 ( 1.355 1.070 -3.128) 3.573 41.604 ( 1.134 0.271 -0.444) 1.248 41.857 ( -0.090 -1.758 1.819) 2.531 42.326 ( 2.545 3.030 -1.182) 4.130 43.809 ( 11.395 8.314 -14.382) 20.145 44.394 ( -1.865 -1.055 3.085) 3.756 45.202 ( 2.048 0.337 -0.059) 2.077 ======================= Grid point 98 (43/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -11.414 9.179 13.207) 19.722 1.011 ( -8.174 -8.032 0.434) 11.469 2.096 ( 5.001 -2.429 -7.105) 9.021 2.290 ( 7.963 3.952 -1.530) 9.020 2.405 ( -3.298 2.480 -3.317) 5.294 2.652 ( -10.198 -7.141 0.043) 12.450 2.768 ( 7.651 1.401 -0.591) 7.800 3.006 ( 10.742 8.016 5.225) 14.385 3.352 ( 2.171 7.057 1.275) 7.493 3.531 ( -0.635 -2.056 -0.472) 2.203 3.577 ( 0.789 -0.743 1.933) 2.216 3.733 ( -5.324 -0.447 5.007) 7.322 3.990 ( 0.948 -5.219 -1.672) 5.561 4.020 ( 1.717 -3.027 2.068) 4.048 4.166 ( -15.889 -7.536 -1.556) 17.654 4.381 ( 3.948 2.857 -3.985) 6.295 4.795 ( 22.828 7.566 3.504) 24.303 5.739 ( -0.482 0.875 -9.744) 9.795 5.887 ( -5.212 5.473 -4.000) 8.551 5.991 ( 4.974 -0.736 -3.056) 5.884 6.278 ( -1.270 3.769 9.160) 9.986 6.632 ( 2.975 1.290 6.236) 7.029 7.340 ( 0.164 -9.592 -2.694) 9.965 7.480 ( -5.146 2.406 -3.340) 6.590 7.945 ( -10.511 -5.495 3.420) 12.343 8.218 ( 15.551 8.312 3.354) 17.949 9.083 ( -4.484 -1.279 -4.523) 6.496 11.582 ( 1.701 -0.700 -0.445) 1.892 11.824 ( 0.044 0.756 0.593) 0.962 11.941 ( -2.503 -0.024 -2.788) 3.747 12.138 ( 0.649 0.035 1.443) 1.583 13.761 ( 1.643 0.235 -2.125) 2.697 13.939 ( 0.338 -1.509 1.495) 2.151 14.145 ( 1.845 2.531 0.291) 3.145 14.174 ( -0.624 0.656 1.237) 1.533 17.623 ( 3.257 1.750 0.480) 3.728 17.782 ( 2.266 2.016 -0.951) 3.179 18.365 ( -2.059 1.068 -0.206) 2.328 18.495 ( -0.301 -3.209 -0.457) 3.255 19.430 ( -0.039 0.278 0.951) 0.991 19.608 ( -0.188 -0.372 -1.159) 1.232 20.090 ( 0.558 -0.076 0.198) 0.597 20.153 ( -0.440 0.205 0.144) 0.506 20.366 ( -3.450 -2.040 0.634) 4.058 21.412 ( 0.309 0.169 0.074) 0.360 22.520 ( -0.065 -0.055 -0.124) 0.151 22.548 ( -0.059 -0.038 -0.007) 0.070 28.392 ( -0.775 -1.836 0.237) 2.007 28.607 ( -2.496 2.036 -1.282) 3.467 28.693 ( -2.034 -3.068 0.910) 3.791 28.797 ( -2.286 -1.693 0.311) 2.861 33.418 ( 0.108 0.109 -0.135) 0.205 33.425 ( 0.064 -0.012 0.149) 0.163 36.435 ( 3.440 -2.122 -6.722) 7.844 36.529 ( -1.521 5.780 -1.568) 6.179 36.962 ( -1.992 -4.365 11.038) 12.036 37.889 ( 3.394 2.467 -1.696) 4.526 41.628 ( 1.604 0.127 0.707) 1.758 41.839 ( -1.621 -1.029 0.582) 2.006 42.312 ( -4.072 -1.426 -1.108) 4.455 43.999 ( 11.893 8.250 -6.429) 15.838 44.399 ( 0.893 -0.066 2.706) 2.850 45.240 ( 1.981 0.493 0.599) 2.127 ======================= Grid point 99 (44/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -12.324 -7.130 3.168) 14.586 0.850 ( -12.694 -0.957 0.192) 12.732 2.091 ( -13.955 -8.013 -1.440) 16.156 2.251 ( 4.480 -3.022 -1.902) 5.729 2.484 ( 8.645 9.186 -3.519) 13.096 2.617 ( 4.239 8.379 0.709) 9.417 2.920 ( 9.232 3.746 -0.397) 9.971 3.200 ( 4.842 -5.324 6.228) 9.517 3.421 ( 1.884 1.157 -1.413) 2.624 3.494 ( -1.907 4.826 -1.881) 5.520 3.611 ( 1.995 4.388 0.466) 4.842 3.731 ( 1.054 2.672 4.428) 5.278 3.958 ( -2.664 -3.356 -0.360) 4.300 3.977 ( 3.841 -7.181 2.122) 8.415 4.044 ( 1.012 -0.063 1.719) 1.996 4.424 ( 0.961 -1.147 -1.613) 2.200 5.250 ( 18.633 11.482 1.319) 21.927 5.675 ( -3.093 5.299 -5.774) 8.425 5.822 ( -0.838 -2.012 -3.029) 3.732 6.085 ( 8.028 -0.329 -3.218) 8.655 6.345 ( -0.356 4.343 4.568) 6.313 6.755 ( 3.843 4.346 5.849) 8.238 7.250 ( 1.820 -8.991 -1.915) 9.372 7.387 ( -5.531 2.815 -4.742) 7.810 7.759 ( -10.075 -4.927 5.450) 12.469 8.565 ( 15.968 7.658 4.393) 18.246 8.975 ( -3.822 -0.053 -7.523) 8.438 11.618 ( 3.689 0.118 -0.479) 3.722 11.832 ( -1.041 0.307 1.194) 1.614 11.869 ( -3.389 -1.068 -2.391) 4.283 12.142 ( -0.523 -0.094 0.421) 0.678 13.801 ( 4.885 0.037 -1.318) 5.059 13.962 ( 2.624 0.906 0.045) 2.777 14.167 ( -2.645 1.508 1.307) 3.313 14.196 ( 1.449 1.325 0.987) 2.198 17.716 ( 3.553 1.833 0.928) 4.104 17.841 ( 1.227 1.315 -1.032) 2.073 18.354 ( 1.007 3.016 -0.297) 3.193 18.436 ( -0.909 -3.658 -0.506) 3.804 19.455 ( 1.558 1.022 1.296) 2.269 19.592 ( -0.474 -0.394 -1.136) 1.293 20.101 ( 0.768 0.289 -0.363) 0.897 20.147 ( -0.458 -0.003 0.039) 0.460 20.297 ( -3.481 -2.085 0.998) 4.179 21.426 ( 0.973 0.555 0.014) 1.120 22.517 ( -0.131 -0.104 -0.078) 0.184 22.545 ( -0.252 -0.150 -0.025) 0.294 28.342 ( -2.934 -2.898 0.354) 4.139 28.549 ( -5.533 0.679 -1.201) 5.702 28.602 ( -4.744 -5.487 0.775) 7.295 28.708 ( -5.944 -3.569 0.149) 6.935 33.421 ( 0.201 0.169 -0.127) 0.292 33.427 ( 0.145 0.023 0.143) 0.205 36.428 ( 2.738 0.403 -8.178) 8.633 36.542 ( -0.940 2.016 0.787) 2.360 36.954 ( -3.248 -3.424 10.383) 11.405 37.973 ( 5.162 3.079 -1.856) 6.291 41.665 ( 2.021 -0.505 2.189) 3.022 41.800 ( -2.154 -0.062 -1.239) 2.486 42.180 ( -8.276 -4.133 -0.318) 9.256 44.218 ( 10.503 7.423 -4.953) 13.782 44.459 ( 4.355 1.488 1.701) 4.907 45.269 ( 0.986 0.221 -0.699) 1.228 ======================= Grid point 100 (45/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -11.179 -5.948 10.880) 16.695 0.543 ( -16.544 -8.982 -7.417) 20.233 1.555 ( -31.815 -19.374 5.640) 37.674 2.468 ( 16.203 3.592 -4.440) 17.180 2.661 ( 4.351 8.179 -0.371) 9.272 2.765 ( 3.718 8.253 -1.546) 9.183 3.118 ( 10.355 5.328 1.806) 11.784 3.228 ( 4.149 -2.361 -0.452) 4.795 3.382 ( -3.645 -1.044 -2.356) 4.464 3.526 ( 7.389 -5.819 -7.722) 12.169 3.704 ( 2.921 6.288 1.881) 7.184 3.827 ( 2.537 4.117 3.121) 5.755 3.905 ( -1.231 -3.089 -0.374) 3.347 4.075 ( 0.416 0.965 3.738) 3.883 4.113 ( 5.347 10.878 6.008) 13.528 4.370 ( -1.423 -6.174 1.942) 6.627 5.500 ( 4.425 7.375 -4.219) 9.580 5.670 ( -0.903 2.933 -3.411) 4.589 5.791 ( 2.344 -7.169 4.009) 8.541 6.149 ( 1.008 0.212 -4.965) 5.070 6.418 ( 5.103 3.099 -1.969) 6.286 6.866 ( 1.786 2.722 4.271) 5.370 7.148 ( -8.998 -0.525 -3.163) 9.552 7.366 ( 4.014 -5.041 -1.041) 6.527 7.691 ( 1.539 3.966 4.185) 5.967 8.827 ( 3.675 5.214 -12.329) 13.882 8.950 ( 8.282 1.605 15.973) 18.064 11.690 ( 4.955 1.389 -0.665) 5.189 11.769 ( -4.173 -2.358 0.032) 4.794 11.837 ( -0.847 0.249 -0.251) 0.918 12.129 ( -0.693 0.293 -2.399) 2.514 13.893 ( 7.082 0.374 -0.445) 7.106 14.036 ( 4.273 3.486 -0.944) 5.594 14.135 ( -3.701 0.999 0.897) 3.937 14.220 ( 0.448 -0.182 0.498) 0.694 17.690 ( -6.928 -3.417 -0.224) 7.728 17.772 ( -7.021 -4.467 0.334) 8.328 18.447 ( 5.647 3.821 -1.052) 6.899 18.508 ( 10.538 5.187 -0.211) 11.748 19.509 ( 2.265 1.516 2.137) 3.464 19.575 ( -0.264 -0.478 -0.741) 0.921 20.109 ( 0.759 0.119 -1.834) 1.989 20.140 ( -0.685 0.183 0.393) 0.810 20.257 ( -1.816 -1.173 8.213) 8.493 21.449 ( 1.114 0.632 0.164) 1.291 22.515 ( 0.060 0.023 -0.036) 0.074 22.539 ( -0.274 -0.158 -0.088) 0.328 28.265 ( -3.372 -3.218 0.492) 4.687 28.435 ( -7.325 -1.584 -0.653) 7.523 28.488 ( -4.464 -3.518 -0.148) 5.686 28.566 ( -7.044 -4.617 0.061) 8.422 33.425 ( 0.200 0.167 -0.147) 0.299 33.431 ( 0.127 0.019 0.147) 0.195 36.424 ( 2.000 2.203 -8.507) 9.012 36.547 ( -0.583 0.011 1.482) 1.592 36.934 ( -3.543 -3.200 9.439) 10.577 38.055 ( 4.383 1.977 -6.403) 8.008 41.695 ( 0.168 -1.631 2.628) 3.097 41.772 ( 0.348 0.873 -2.104) 2.305 42.006 ( -8.549 -4.106 0.352) 9.491 44.357 ( 5.343 4.080 -7.875) 10.354 44.537 ( 3.814 1.789 -14.946) 15.528 45.251 ( -1.010 -0.672 -5.143) 5.284 ======================= Grid point 103 (46/125) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 1.938 -5.482 16.346) 17.349 0.884 ( -1.609 12.714 19.158) 23.049 1.270 ( -0.388 17.521 23.617) 29.409 2.471 ( 0.730 -8.077 -13.011) 15.332 2.668 ( -0.035 1.107 -12.140) 12.191 2.737 ( 0.609 -2.128 -0.396) 2.249 3.226 ( -6.245 -4.162 -0.654) 7.533 3.249 ( 1.754 -0.939 -4.981) 5.363 3.430 ( 1.324 -4.204 -1.454) 4.642 3.592 ( -1.357 -1.811 -6.287) 6.682 3.617 ( -4.908 -14.264 7.770) 16.968 3.844 ( -1.758 0.371 -0.351) 1.830 4.014 ( 10.061 -0.118 3.504) 10.654 4.188 ( 0.982 -4.088 2.797) 5.050 4.336 ( -0.640 -0.176 2.078) 2.182 4.405 ( 2.698 9.172 -0.396) 9.568 5.414 ( 1.564 -3.377 -6.387) 7.392 5.630 ( -6.295 0.015 1.119) 6.393 5.792 ( 2.493 2.396 -3.501) 4.921 5.915 ( -0.496 7.206 2.719) 7.717 6.475 ( -4.676 -10.781 -3.728) 12.329 6.786 ( 11.635 5.630 -7.324) 14.856 6.933 ( -4.410 10.484 -6.682) 13.191 7.396 ( -2.221 -2.351 4.670) 5.681 7.616 ( 1.336 12.980 2.363) 13.261 8.960 ( 0.118 -15.094 -0.239) 15.097 9.969 ( -1.444 -35.430 16.910) 39.285 11.699 ( -0.443 1.574 0.077) 1.637 11.754 ( -2.075 -1.755 -1.285) 3.007 11.815 ( 0.970 1.136 -0.698) 1.649 11.873 ( 1.952 10.237 -4.921) 11.525 14.003 ( -2.861 -5.451 0.171) 6.159 14.065 ( 3.153 0.209 -0.350) 3.179 14.133 ( 1.065 -3.706 -0.385) 3.875 14.210 ( -1.575 1.100 -0.314) 1.947 17.479 ( 0.207 9.449 -1.733) 9.609 17.635 ( -0.024 8.410 1.418) 8.528 18.587 ( -0.027 -8.816 0.633) 8.839 18.711 ( -0.016 -9.890 -0.552) 9.906 19.553 ( 0.626 -0.615 -0.379) 0.956 19.580 ( -0.679 0.857 0.144) 1.103 20.113 ( -0.743 -1.656 0.155) 1.821 20.148 ( 0.704 0.745 0.616) 1.196 20.978 ( 0.049 -28.561 11.987) 30.974 21.531 ( 0.004 -5.190 5.314) 7.428 22.517 ( 0.002 -0.248 -0.061) 0.256 22.530 ( 0.008 0.072 -0.142) 0.159 28.204 ( -3.074 3.181 0.210) 4.429 28.271 ( 3.160 8.447 -0.699) 9.046 28.388 ( 1.398 2.921 -0.871) 3.353 28.437 ( -1.491 6.230 0.056) 6.406 33.424 ( 0.016 -0.113 -0.157) 0.195 33.437 ( -0.019 -0.118 0.136) 0.180 36.277 ( 1.764 -3.088 -6.931) 7.790 36.506 ( 0.764 6.545 -4.905) 8.215 37.071 ( -3.366 4.454 7.837) 9.622 37.397 ( 0.076 30.368 -16.251) 34.443 41.631 ( 0.020 2.184 -2.645) 3.430 41.816 ( -4.434 3.329 -1.266) 5.688 41.878 ( 2.477 4.365 1.251) 5.173 42.421 ( 2.623 58.306 -32.610) 66.857 44.527 ( 0.055 -1.507 4.867) 5.095 45.185 ( -0.134 -1.670 -1.231) 2.079 ======================= Grid point 104 (47/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 22.110 -2.822 7.611) 23.553 1.125 ( 3.655 8.982 20.032) 22.255 1.524 ( 0.773 15.088 11.053) 18.719 2.372 ( 0.419 -0.260 -8.121) 8.136 2.558 ( -4.742 -0.401 -12.449) 13.327 2.717 ( 0.316 -2.704 0.113) 2.724 3.057 ( -8.827 -2.905 -0.790) 9.326 3.157 ( -2.701 -9.384 -4.518) 10.760 3.373 ( 2.459 -13.848 -1.407) 14.135 3.498 ( -5.488 1.460 -1.623) 5.907 3.576 ( 2.176 -6.883 5.907) 9.328 3.817 ( -1.427 0.160 -2.072) 2.521 4.049 ( -3.112 -1.504 1.077) 3.620 4.243 ( 1.870 -1.447 4.306) 4.913 4.295 ( -5.519 0.700 2.801) 6.229 4.461 ( -1.164 7.054 -0.958) 7.213 5.371 ( 0.370 -1.616 -6.634) 6.838 5.612 ( 0.370 -0.989 -0.188) 1.073 5.766 ( 2.163 -7.825 -0.701) 8.149 5.956 ( 1.084 -2.392 -5.377) 5.984 6.345 ( -4.044 2.616 2.129) 5.266 6.854 ( -5.968 7.761 -8.252) 12.804 7.005 ( 10.659 6.560 -6.146) 13.943 7.443 ( 5.245 -3.290 5.278) 8.135 7.742 ( -2.044 9.400 3.963) 10.404 8.744 ( -8.330 -13.706 -0.550) 16.048 9.682 ( -9.017 -26.710 14.805) 31.842 11.670 ( -1.364 -4.061 -1.678) 4.601 11.749 ( 1.516 1.583 0.459) 2.239 11.861 ( 3.215 2.501 0.172) 4.077 11.947 ( 1.202 6.453 -4.998) 8.250 13.904 ( -2.327 -5.951 -1.179) 6.498 14.079 ( 0.714 -2.885 -0.191) 2.978 14.113 ( -1.437 -0.879 1.331) 2.147 14.172 ( -3.414 1.556 -0.956) 3.871 17.610 ( 4.921 8.880 -1.403) 10.249 17.762 ( 4.395 7.474 1.156) 8.748 18.464 ( -4.447 -8.149 0.103) 9.284 18.557 ( -5.761 -10.604 -0.688) 12.088 19.550 ( -0.809 -0.186 -0.231) 0.862 19.578 ( 0.086 0.028 0.405) 0.415 20.086 ( -0.344 -2.271 0.019) 2.297 20.167 ( 0.189 0.886 0.607) 1.091 20.755 ( -9.008 -15.195 11.461) 21.056 21.502 ( -1.895 -3.184 3.285) 4.952 22.514 ( -0.026 -0.133 -0.131) 0.188 22.532 ( 0.180 0.255 -0.160) 0.351 28.224 ( 1.347 3.557 0.045) 3.804 28.405 ( 4.524 7.841 -0.469) 9.065 28.485 ( 5.304 4.476 -0.316) 6.947 28.497 ( 2.265 7.250 0.128) 7.596 33.422 ( -0.026 -0.119 -0.138) 0.185 33.435 ( -0.171 -0.189 0.102) 0.275 36.279 ( 6.215 -4.156 -6.546) 9.937 36.538 ( -0.620 7.024 -4.133) 8.173 37.036 ( -8.564 6.068 7.170) 12.711 37.634 ( 11.572 8.854 -11.549) 18.593 41.611 ( -2.094 3.037 -2.433) 4.419 41.788 ( 0.358 -1.410 1.101) 1.825 42.020 ( 5.386 8.376 0.497) 9.970 42.918 ( 25.316 36.526 -36.351) 57.414 44.529 ( -2.060 -1.961 5.344) 6.054 45.155 ( 0.010 -2.172 -1.557) 2.672 ======================= Grid point 105 (48/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 9.099 -1.854 5.834) 10.966 1.345 ( -0.768 1.516 21.699) 21.766 1.786 ( 12.213 15.659 -0.573) 19.867 2.325 ( -2.522 -3.911 -7.185) 8.561 2.361 ( -7.794 2.176 -11.367) 13.953 2.675 ( -3.735 -6.336 4.482) 8.613 2.933 ( -1.671 -7.449 -5.996) 9.707 2.994 ( -0.898 -8.184 -2.133) 8.504 3.334 ( 2.948 -6.326 -3.263) 7.704 3.359 ( -9.127 4.554 4.505) 11.151 3.606 ( 1.756 -6.001 6.496) 9.016 3.791 ( 1.277 -0.878 -2.444) 2.894 3.977 ( -4.782 -1.240 2.282) 5.442 4.212 ( -8.174 5.905 2.654) 10.427 4.263 ( -1.240 -1.021 1.118) 1.957 4.502 ( 0.403 0.567 -1.075) 1.281 5.235 ( -12.382 -4.530 -3.883) 13.745 5.560 ( 1.747 -5.511 -8.706) 10.451 5.752 ( 6.156 -10.281 0.005) 11.983 5.920 ( 5.929 -3.572 -3.099) 7.584 6.399 ( -3.839 11.395 7.748) 14.305 6.751 ( -7.713 4.021 -6.153) 10.655 7.195 ( 11.632 2.716 -4.949) 12.929 7.520 ( 3.811 -1.548 2.767) 4.958 7.765 ( -6.041 4.977 6.389) 10.104 8.506 ( -9.049 -6.933 -1.989) 11.572 9.424 ( -7.293 -19.357 9.066) 22.584 11.605 ( -1.199 -3.077 -1.360) 3.572 11.793 ( 1.938 1.099 0.076) 2.229 11.954 ( 5.123 1.974 0.298) 5.499 11.968 ( -0.609 4.544 -3.404) 5.710 13.822 ( -1.346 -2.909 -2.432) 4.024 14.042 ( -2.362 -2.561 1.427) 3.765 14.095 ( -1.078 0.086 0.786) 1.337 14.141 ( -0.957 0.416 -0.606) 1.207 17.679 ( -0.382 -3.192 -0.310) 3.230 17.850 ( 1.194 -2.668 0.206) 2.930 18.377 ( -1.161 0.905 -0.041) 1.473 18.420 ( -2.120 0.534 -1.396) 2.594 19.520 ( -2.670 -0.441 0.781) 2.817 19.588 ( 0.975 -0.254 -0.249) 1.038 20.067 ( 0.498 -1.923 -0.020) 1.987 20.175 ( -0.401 0.660 0.439) 0.889 20.597 ( -6.778 -6.952 7.637) 12.353 21.462 ( -1.991 -2.274 1.664) 3.450 22.514 ( 0.151 0.175 -0.184) 0.296 22.538 ( 0.316 0.389 -0.125) 0.517 28.294 ( 3.151 3.284 -0.061) 4.552 28.545 ( 5.481 6.051 -0.431) 8.175 28.574 ( 1.459 6.683 0.014) 6.840 28.642 ( 6.745 3.958 0.527) 7.838 33.420 ( -0.052 -0.108 -0.130) 0.177 33.430 ( -0.232 -0.208 0.086) 0.323 36.295 ( 5.688 -4.274 -5.764) 9.156 36.562 ( -1.357 7.273 -3.814) 8.324 37.027 ( -5.335 4.434 8.540) 11.003 37.747 ( 6.390 0.300 -6.989) 9.475 41.600 ( -1.039 2.766 -1.736) 3.427 41.805 ( 2.403 -2.515 2.135) 4.081 42.188 ( 5.088 9.790 -0.142) 11.035 43.310 ( 20.697 18.264 -28.823) 39.909 44.496 ( -3.773 -2.420 5.230) 6.888 45.137 ( 1.519 -1.849 -1.551) 2.851 ======================= Grid point 106 (49/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.996 3.247 7.167) 7.931 1.387 ( -12.262 1.114 18.777) 22.454 2.025 ( 0.519 4.302 -3.863) 5.805 2.201 ( 2.291 -7.762 -4.347) 9.187 2.270 ( 5.558 1.659 -7.477) 9.463 2.607 ( -1.747 -1.385 2.831) 3.604 2.817 ( 3.828 -6.591 -9.872) 12.471 2.854 ( -4.614 -10.149 -0.381) 11.155 3.307 ( 0.674 -0.807 -0.699) 1.263 3.438 ( 1.543 9.239 3.328) 9.940 3.619 ( -0.207 -0.260 6.771) 6.779 3.815 ( 3.633 -1.911 0.006) 4.105 3.932 ( -1.189 -2.491 3.610) 4.544 4.155 ( -6.750 1.672 0.797) 7.000 4.248 ( -1.328 3.536 -0.293) 3.788 4.441 ( -0.533 -5.956 -2.507) 6.484 4.878 ( -21.855 -7.230 -2.634) 23.170 5.520 ( 8.740 -6.515 -9.728) 14.611 5.790 ( 4.693 1.293 -3.000) 5.718 6.016 ( 7.938 -2.096 1.457) 8.338 6.455 ( -9.508 7.184 8.239) 14.488 6.642 ( -4.759 3.886 -0.351) 6.154 7.297 ( 4.942 -5.834 -2.885) 8.172 7.573 ( 0.905 3.859 -1.371) 4.194 7.797 ( 3.319 3.072 4.436) 6.334 8.308 ( -9.535 -3.387 -0.396) 10.126 9.227 ( -4.698 -12.306 2.896) 13.487 11.566 ( -0.396 -1.259 -1.015) 1.665 11.825 ( 0.785 1.036 0.662) 1.459 11.963 ( 0.478 1.275 -4.379) 4.586 12.054 ( 3.720 1.591 2.040) 4.531 13.780 ( -0.878 0.708 -2.753) 2.975 13.993 ( -3.358 -0.655 2.127) 4.028 14.094 ( 1.126 -0.255 -0.664) 1.331 14.140 ( 0.731 -0.684 1.128) 1.508 17.583 ( -1.537 -9.671 0.210) 9.794 17.762 ( -1.248 -10.982 -0.635) 11.071 18.426 ( -0.369 8.523 0.840) 8.572 18.468 ( 1.786 7.731 -2.248) 8.247 19.478 ( -2.687 -0.638 1.370) 3.083 19.596 ( 0.776 -0.350 -0.898) 1.237 20.067 ( 1.009 -0.889 0.075) 1.347 20.172 ( -0.717 0.186 0.242) 0.779 20.498 ( -5.090 -3.724 4.093) 7.519 21.426 ( -1.252 -1.323 0.630) 1.927 22.519 ( 0.176 0.352 -0.191) 0.437 22.546 ( 0.236 0.398 -0.064) 0.467 28.365 ( 2.302 2.545 -0.213) 3.438 28.643 ( -0.084 6.231 -0.503) 6.252 28.661 ( 3.961 2.025 0.423) 4.468 28.759 ( 4.285 1.624 0.568) 4.618 33.417 ( -0.025 -0.072 -0.130) 0.151 33.426 ( -0.151 -0.151 0.104) 0.237 36.308 ( 4.849 -3.413 -5.055) 7.791 36.577 ( -1.464 5.930 -3.146) 6.870 37.048 ( -4.153 3.292 9.497) 10.876 37.782 ( 4.232 -1.643 -4.164) 6.160 41.606 ( -0.233 2.586 -0.885) 2.744 41.831 ( 1.936 -2.806 2.217) 4.067 42.329 ( 2.477 7.706 -0.730) 8.128 43.566 ( 16.612 10.378 -18.490) 26.936 44.443 ( -3.710 -2.806 4.547) 6.505 45.152 ( 3.111 -0.981 -1.278) 3.503 ======================= Grid point 107 (50/125) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -5.935 -6.868 5.365) 10.544 1.271 ( -18.945 8.464 17.067) 26.867 1.983 ( 0.284 -5.056 -6.459) 8.208 2.141 ( 8.747 0.169 -4.956) 10.055 2.412 ( 4.200 3.669 -5.573) 7.884 2.614 ( 5.407 -2.823 -1.427) 6.265 2.690 ( -1.748 -11.383 3.655) 12.082 2.926 ( 10.180 5.642 -0.762) 11.663 3.315 ( 3.953 -0.780 -5.483) 6.804 3.510 ( -0.680 2.897 2.329) 3.779 3.679 ( -1.966 3.412 8.783) 9.626 3.824 ( -2.711 -1.856 2.106) 3.903 3.924 ( 2.357 -9.156 2.821) 9.866 4.001 ( -6.337 -1.499 -1.422) 6.665 4.281 ( -4.348 -1.926 -2.359) 5.308 4.432 ( -6.602 0.303 -1.299) 6.735 4.581 ( 7.114 6.691 -0.264) 9.770 5.572 ( 10.116 -4.100 -8.542) 13.860 5.863 ( 3.867 4.151 -3.453) 6.642 6.068 ( -3.819 2.479 -3.432) 5.702 6.368 ( -4.558 -3.341 9.202) 10.799 6.703 ( -0.480 9.200 6.530) 11.291 7.224 ( -0.546 -11.104 -2.482) 11.391 7.576 ( -4.096 5.547 -2.951) 7.501 7.946 ( 6.853 -2.570 0.037) 7.319 8.186 ( -2.060 2.527 4.286) 5.385 9.088 ( -3.193 -6.317 -2.017) 7.360 11.552 ( 0.360 -0.657 -0.833) 1.120 11.849 ( -0.081 1.988 1.123) 2.285 11.946 ( -0.414 0.004 -3.675) 3.698 12.116 ( 2.218 -0.838 1.704) 2.920 13.763 ( -1.267 2.836 -2.579) 4.037 13.955 ( -2.331 -0.851 2.339) 3.410 14.122 ( 3.387 -0.419 -0.906) 3.531 14.161 ( 1.202 -0.267 1.690) 2.091 17.526 ( 4.632 -7.167 0.468) 8.546 17.685 ( 4.494 -8.434 -1.104) 9.620 18.474 ( -4.085 7.087 1.133) 8.258 18.522 ( -2.207 6.770 -2.270) 7.474 19.450 ( -1.359 -0.456 1.731) 2.247 19.594 ( 0.329 -0.348 -1.343) 1.425 20.080 ( 0.863 0.128 -0.069) 0.875 20.162 ( -0.590 -0.293 0.164) 0.679 20.417 ( -4.332 -2.427 2.057) 5.375 21.410 ( -0.125 -0.429 0.155) 0.473 22.522 ( -0.071 0.278 -0.156) 0.327 22.550 ( -0.037 0.267 -0.033) 0.272 28.398 ( -0.271 1.418 -0.373) 1.491 28.668 ( -2.315 4.008 -0.297) 4.638 28.697 ( -0.192 -1.565 0.695) 1.723 28.804 ( 0.371 -0.384 0.220) 0.577 33.417 ( 0.083 0.019 -0.121) 0.148 33.424 ( 0.004 -0.093 0.123) 0.154 36.323 ( 4.096 -1.459 -4.858) 6.519 36.581 ( -1.381 3.342 -1.824) 4.050 37.067 ( -4.412 1.944 9.477) 10.633 37.815 ( 4.919 -0.980 -3.016) 5.853 41.626 ( 0.334 2.461 -0.128) 2.487 41.835 ( 0.281 -2.802 0.994) 2.986 42.372 ( -2.961 2.978 -0.198) 4.204 43.807 ( 15.661 8.921 -11.050) 21.141 44.402 ( -1.254 -3.072 3.827) 5.065 45.193 ( 3.593 -0.099 -1.516) 3.901 ======================= Grid point 108 (51/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -12.579 -7.587 6.888) 16.225 1.083 ( -18.334 -6.783 7.405) 20.904 2.049 ( 7.129 9.237 -3.611) 12.214 2.301 ( 8.876 -0.685 -4.832) 10.129 2.348 ( -2.872 -0.414 -3.571) 4.602 2.650 ( 1.280 2.636 0.341) 2.951 2.751 ( 12.478 -0.824 1.357) 12.578 3.075 ( 6.507 -9.343 5.415) 12.608 3.344 ( 4.962 -0.026 -6.828) 8.440 3.500 ( -3.262 2.259 -4.323) 5.868 3.699 ( -5.664 -2.325 4.032) 7.332 3.800 ( 1.351 5.887 2.162) 6.415 3.892 ( 1.880 -1.067 0.876) 2.333 3.990 ( -3.147 0.217 3.366) 4.614 4.072 ( -3.073 -2.569 5.202) 6.565 4.400 ( -0.622 -0.424 -0.980) 1.236 4.983 ( 25.136 8.941 1.015) 26.698 5.623 ( 6.160 -2.632 -6.365) 9.241 5.920 ( -11.088 4.272 -7.307) 13.949 5.941 ( 5.802 2.188 -4.237) 7.510 6.394 ( 0.941 -2.999 8.305) 8.880 6.822 ( 0.525 6.404 6.455) 9.108 7.116 ( 1.330 -8.360 -0.483) 8.479 7.517 ( -7.071 5.814 -4.163) 10.057 7.862 ( -6.827 -7.806 2.520) 10.672 8.403 ( 15.196 5.978 3.782) 16.762 8.980 ( -3.062 -2.553 -3.953) 5.615 11.561 ( 2.208 -0.008 -0.781) 2.342 11.872 ( -0.943 2.880 1.162) 3.246 11.899 ( -2.604 -0.820 -2.694) 3.835 12.131 ( 0.712 -2.294 0.665) 2.492 13.770 ( 0.420 4.135 -1.972) 4.600 13.945 ( 0.337 -0.235 1.760) 1.807 14.155 ( 2.824 -4.085 -0.000) 4.967 14.191 ( 0.997 1.291 0.603) 1.740 17.600 ( 9.530 -3.589 0.774) 10.212 17.741 ( 9.470 -3.400 -1.198) 10.133 18.440 ( -6.539 3.610 0.820) 7.514 18.488 ( -6.276 4.567 -2.073) 8.033 19.454 ( 0.657 -0.132 2.306) 2.401 19.584 ( -0.111 -0.150 -1.394) 1.406 20.090 ( 0.431 0.552 -1.048) 1.261 20.154 ( -0.237 -0.348 0.469) 0.630 20.349 ( -3.662 -1.700 2.614) 4.810 21.415 ( 0.812 0.097 0.024) 0.818 22.519 ( -0.281 0.133 -0.098) 0.326 22.549 ( -0.308 0.092 -0.057) 0.326 28.376 ( -3.048 0.215 -0.536) 3.103 28.636 ( -4.188 -1.710 0.949) 4.622 28.645 ( -4.738 0.420 -0.095) 4.757 28.764 ( -4.175 -2.014 -0.148) 4.638 33.419 ( 0.193 0.106 -0.105) 0.245 33.426 ( 0.143 -0.065 0.113) 0.194 36.348 ( 3.224 1.378 -5.357) 6.402 36.574 ( -1.132 0.833 0.155) 1.414 37.058 ( -4.856 -0.889 8.413) 9.754 37.880 ( 6.190 0.408 -3.634) 7.190 41.659 ( 0.945 2.273 0.705) 2.561 41.802 ( -1.071 -2.805 -1.070) 3.188 42.294 ( -8.219 -0.778 1.282) 8.355 44.060 ( 13.923 9.237 -10.012) 19.479 44.402 ( 2.199 -3.503 2.902) 5.052 45.230 ( 2.470 0.327 -3.332) 4.161 ======================= Grid point 109 (52/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -14.887 -6.274 12.916) 20.684 0.776 ( -13.737 -2.818 2.830) 14.306 1.899 ( -24.106 -7.749 -2.464) 25.441 2.329 ( 7.157 7.763 1.081) 10.614 2.592 ( 13.456 4.605 -1.642) 14.317 2.721 ( 4.806 2.765 -3.467) 6.539 2.959 ( 12.145 -0.108 0.616) 12.162 3.095 ( 7.433 -6.054 0.478) 9.598 3.364 ( 0.960 2.397 -6.294) 6.803 3.439 ( -2.353 -0.298 -4.570) 5.149 3.583 ( 3.665 -7.917 -1.662) 8.881 3.891 ( 0.142 -0.293 -2.094) 2.119 3.937 ( 0.823 2.139 6.768) 7.145 4.006 ( 4.972 3.429 2.722) 6.625 4.233 ( 2.546 10.494 9.147) 14.152 4.345 ( -1.672 -6.301 4.233) 7.773 5.390 ( 16.626 2.335 -0.487) 16.796 5.656 ( 5.683 -1.851 -1.812) 6.245 5.753 ( -8.008 2.918 -7.858) 11.592 6.042 ( 7.955 3.344 -7.064) 11.152 6.388 ( -1.773 -3.625 1.757) 4.401 6.910 ( 2.782 0.854 5.567) 6.282 7.129 ( 2.747 -1.322 1.375) 3.345 7.417 ( -8.599 6.304 -4.382) 11.527 7.725 ( -3.287 -7.251 5.502) 9.678 8.683 ( 11.496 1.884 -4.998) 12.676 8.952 ( 3.668 2.701 8.153) 9.339 11.615 ( 4.557 1.159 -0.808) 4.771 11.821 ( -4.252 -1.126 -1.399) 4.615 11.878 ( -2.261 2.256 0.825) 3.298 12.114 ( 0.038 -1.814 -1.671) 2.467 13.832 ( 3.450 5.434 -1.508) 6.611 13.990 ( 3.750 1.261 0.968) 4.073 14.134 ( 0.542 -6.258 0.375) 6.292 14.209 ( 0.476 -0.355 -0.596) 0.841 17.702 ( 3.822 -2.566 0.466) 4.627 17.826 ( 0.917 -0.301 -0.471) 1.074 18.400 ( 0.958 0.178 -0.465) 1.079 18.439 ( -0.635 4.399 -1.317) 4.635 19.495 ( 2.389 -0.308 2.970) 3.824 19.573 ( -0.378 0.378 -1.038) 1.167 20.090 ( 0.388 0.486 -2.135) 2.224 20.154 ( -0.304 -0.058 0.924) 0.975 20.324 ( -1.308 -0.841 7.466) 7.626 21.435 ( 1.344 0.219 0.196) 1.376 22.516 ( -0.175 0.081 -0.050) 0.199 22.543 ( -0.409 -0.004 -0.125) 0.428 28.308 ( -4.535 -0.623 -0.649) 4.624 28.528 ( -6.456 -3.258 1.253) 7.339 28.572 ( -6.576 2.328 -0.121) 6.977 28.646 ( -7.412 -2.889 -0.491) 7.970 33.422 ( 0.217 0.126 -0.117) 0.277 33.429 ( 0.208 -0.064 0.108) 0.243 36.378 ( 2.087 4.485 -6.345) 8.045 36.568 ( -0.767 -0.176 2.046) 2.192 37.004 ( -4.410 -5.727 6.663) 9.831 37.950 ( 5.085 1.277 -6.981) 8.731 41.701 ( 0.455 1.464 1.827) 2.385 41.746 ( -0.392 -2.530 -3.212) 4.107 42.143 ( -10.503 -1.436 2.197) 10.826 44.224 ( 6.778 7.543 -20.641) 22.997 44.424 ( 2.751 -3.806 -0.265) 4.703 45.222 ( -0.034 0.295 -5.926) 5.933 ======================= Grid point 112 (53/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -28.445 2.588 10.163) 30.316 1.142 ( -2.544 8.516 19.573) 21.496 1.552 ( -0.034 18.524 11.838) 21.983 2.293 ( 1.397 -5.770 -15.471) 16.571 2.533 ( 6.909 -6.471 -6.881) 11.703 2.715 ( -1.312 -1.461 -0.294) 1.985 3.088 ( 8.877 -4.860 -4.669) 11.146 3.226 ( 2.835 -4.968 -3.602) 6.759 3.422 ( -1.155 -0.104 -1.692) 2.051 3.572 ( -6.809 -10.982 3.944) 13.511 3.636 ( -1.322 0.566 -0.530) 1.533 3.858 ( 5.203 -1.681 2.426) 5.982 3.886 ( 5.528 2.791 0.186) 6.195 4.144 ( -0.344 -3.886 0.706) 3.965 4.274 ( 8.194 -1.266 4.458) 9.413 4.405 ( 1.361 1.007 3.340) 3.745 5.275 ( 3.715 -9.541 -6.076) 11.906 5.728 ( -1.269 2.625 -10.019) 10.435 5.805 ( -7.307 -1.520 4.321) 8.624 6.003 ( -3.032 3.678 -1.035) 4.878 6.393 ( 4.672 -4.626 -0.565) 6.599 6.666 ( 4.553 6.768 -6.691) 10.550 7.076 ( -7.962 8.310 -3.809) 12.123 7.459 ( -4.601 -3.221 2.141) 6.011 7.712 ( 2.432 8.570 4.329) 9.905 8.729 ( 9.452 -15.690 -0.035) 18.317 9.731 ( 7.584 -24.350 14.154) 29.168 11.677 ( 1.298 -3.059 -1.174) 3.525 11.796 ( -1.067 1.456 0.568) 1.892 11.850 ( -5.846 1.654 -1.348) 6.223 11.895 ( 1.225 6.358 -4.182) 7.708 13.944 ( 4.645 -5.253 -1.063) 7.092 14.035 ( -2.616 -2.194 0.089) 3.416 14.073 ( 3.155 -1.920 0.212) 3.700 14.221 ( 1.119 1.325 -0.335) 1.766 17.597 ( -4.400 7.979 -1.269) 9.199 17.766 ( -4.506 7.993 1.048) 9.236 18.466 ( 4.153 -8.039 0.080) 9.049 18.558 ( 5.772 -10.385 -0.729) 11.904 19.529 ( 1.215 -1.243 0.003) 1.738 19.600 ( -0.521 1.142 0.009) 1.255 20.113 ( -1.018 -1.748 0.328) 2.049 20.142 ( 1.138 0.446 0.474) 1.311 20.753 ( 9.059 -15.287 11.517) 21.175 21.502 ( 1.874 -3.150 3.267) 4.910 22.514 ( 0.052 -0.152 -0.131) 0.207 22.532 ( -0.180 0.259 -0.159) 0.353 28.288 ( -1.177 5.899 0.973) 6.094 28.332 ( -3.679 4.657 -1.149) 6.046 28.444 ( -4.467 5.039 -0.702) 6.771 28.547 ( -4.086 7.607 0.283) 8.639 33.421 ( 0.062 -0.178 -0.128) 0.228 33.435 ( 0.142 -0.134 0.091) 0.215 36.243 ( -5.328 -4.573 -5.944) 9.199 36.511 ( 1.727 5.808 -3.786) 7.145 37.100 ( 6.694 6.885 7.176) 11.987 37.655 ( -12.151 10.419 -12.561) 20.346 41.612 ( 1.966 2.999 -2.175) 4.194 41.886 ( -0.739 1.954 1.496) 2.570 41.957 ( -5.082 5.406 0.583) 7.443 42.860 ( -24.612 35.279 -37.113) 56.813 44.525 ( 2.201 -2.219 5.258) 6.117 45.163 ( -0.344 -1.590 -1.443) 2.175 ======================= Grid point 113 (54/125) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -2.749 15.484 10.399) 18.854 1.310 ( -1.038 6.793 20.975) 22.072 1.696 ( -3.074 10.178 0.222) 10.635 2.282 ( 8.260 0.320 -3.982) 9.175 2.506 ( 0.288 -3.736 -8.620) 9.399 2.676 ( 0.064 -3.224 -1.191) 3.437 3.048 ( 2.028 -9.716 -3.517) 10.530 3.146 ( -5.537 -11.837 -4.117) 13.702 3.318 ( -9.850 1.840 -1.300) 10.105 3.454 ( 2.936 -8.401 5.533) 10.480 3.649 ( -2.662 5.730 0.730) 6.360 3.829 ( -2.493 -1.151 -1.882) 3.329 4.040 ( 5.018 0.429 1.435) 5.237 4.131 ( 3.194 -6.167 3.067) 7.592 4.365 ( 3.268 -0.215 2.594) 4.178 4.485 ( 2.297 1.656 -1.051) 3.021 5.228 ( 6.031 -7.700 -6.031) 11.491 5.653 ( -1.154 -0.481 -2.195) 2.526 5.703 ( -6.467 -8.467 -0.031) 10.654 5.892 ( -3.856 -4.455 -7.716) 9.708 6.454 ( 0.848 6.550 6.218) 9.071 6.823 ( 8.599 7.300 -6.000) 12.777 7.020 ( -5.928 9.795 -7.755) 13.828 7.404 ( 0.186 -3.434 5.199) 6.234 7.854 ( 1.401 8.656 3.769) 9.545 8.659 ( 1.025 -16.017 -0.484) 16.057 9.598 ( -2.359 -27.763 12.034) 30.350 11.634 ( -0.827 -4.553 -1.665) 4.918 11.780 ( -2.201 1.916 0.226) 2.927 11.831 ( 1.825 2.128 -0.645) 2.877 11.970 ( 1.569 7.129 -2.578) 7.741 13.875 ( -2.428 -7.938 -0.413) 8.311 14.005 ( 2.012 -3.474 -0.416) 4.037 14.133 ( 1.816 1.725 -0.100) 2.507 14.222 ( -1.599 0.667 -0.326) 1.763 17.654 ( 0.721 10.196 -1.084) 10.278 17.810 ( -0.439 6.765 1.031) 6.857 18.412 ( 0.034 -9.375 0.019) 9.376 18.487 ( -0.163 -11.979 -0.822) 12.009 19.538 ( 0.947 -0.545 -0.167) 1.105 19.599 ( -0.946 0.845 0.305) 1.305 20.075 ( -1.076 -2.839 0.284) 3.050 20.168 ( 0.898 0.713 0.434) 1.226 20.742 ( 0.076 -14.253 8.405) 16.547 21.504 ( -0.011 -4.072 3.064) 5.096 22.512 ( 0.011 -0.146 -0.160) 0.217 22.532 ( 0.002 0.318 -0.132) 0.344 28.275 ( -2.607 4.287 0.035) 5.018 28.433 ( 3.273 9.511 0.349) 10.064 28.449 ( 0.893 4.844 -1.013) 5.029 28.582 ( -1.635 9.015 0.359) 9.169 33.420 ( 0.045 -0.200 -0.102) 0.229 33.435 ( -0.045 -0.182 0.060) 0.197 36.154 ( 1.352 -2.402 -4.531) 5.304 36.565 ( 1.135 5.586 -2.668) 6.294 37.240 ( -2.341 4.707 5.406) 7.541 37.561 ( -1.172 10.202 -10.220) 14.488 41.638 ( -0.079 2.367 -2.934) 3.771 41.830 ( -4.567 -1.616 2.823) 5.607 42.049 ( 2.881 12.701 0.249) 13.026 42.817 ( 2.856 32.723 -29.663) 44.258 44.561 ( 0.247 -2.100 5.600) 5.986 45.123 ( -0.514 -2.871 -1.931) 3.498 ======================= Grid point 114 (55/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 7.372 16.046 6.714) 18.892 1.489 ( 1.483 2.734 19.606) 19.851 1.784 ( 4.751 14.470 -3.032) 15.529 2.321 ( -1.536 -4.984 -4.366) 6.801 2.362 ( -5.442 -6.594 -7.219) 11.189 2.666 ( 2.057 -4.638 0.726) 5.125 2.859 ( -9.153 -12.276 -4.440) 15.943 2.994 ( -1.684 -0.555 -5.360) 5.646 3.200 ( -1.639 -4.154 -0.253) 4.473 3.494 ( 6.547 -10.688 6.153) 13.963 3.622 ( -9.524 6.554 4.388) 12.366 3.788 ( -0.590 3.364 -2.853) 4.450 4.055 ( -3.628 0.998 1.968) 4.246 4.161 ( 5.343 -7.365 1.242) 9.183 4.412 ( -4.335 3.987 2.544) 6.416 4.470 ( 1.294 -2.819 -3.547) 4.712 5.243 ( 3.749 -4.099 -4.451) 7.118 5.439 ( -4.389 -18.592 -6.478) 20.171 5.655 ( -1.127 -0.185 2.201) 2.479 5.799 ( 2.552 -1.670 -3.922) 4.968 6.590 ( -0.033 10.238 7.723) 12.824 6.845 ( -5.787 3.643 -7.855) 10.415 7.056 ( 6.220 6.771 -4.671) 10.313 7.463 ( 4.480 -1.419 4.712) 6.655 7.919 ( -3.763 3.789 3.147) 6.198 8.513 ( -2.983 -9.424 -1.979) 10.081 9.374 ( -4.507 -23.290 8.956) 25.356 11.577 ( -0.284 -3.560 -0.820) 3.664 11.778 ( 0.516 1.082 -0.693) 1.384 11.891 ( 3.187 1.668 -1.020) 3.739 12.027 ( -0.411 6.459 -0.977) 6.545 13.780 ( -0.737 -5.651 -0.843) 5.761 14.015 ( 2.323 -1.912 0.199) 3.015 14.133 ( -2.178 -0.135 0.232) 2.194 14.192 ( -2.958 1.551 -0.484) 3.375 17.697 ( -3.747 0.719 -0.712) 3.882 17.823 ( -1.992 -4.310 0.444) 4.769 18.369 ( 2.526 -1.003 -0.554) 2.774 18.409 ( 1.797 -1.737 -0.335) 2.522 19.540 ( -0.191 -0.549 -0.303) 0.656 19.592 ( -1.048 0.604 0.628) 1.363 20.042 ( 0.093 -2.599 0.324) 2.620 20.184 ( 0.160 0.414 0.228) 0.498 20.651 ( -3.562 -8.853 5.905) 11.222 21.474 ( -1.276 -3.391 1.883) 4.083 22.512 ( 0.181 0.101 -0.176) 0.272 22.536 ( 0.249 0.411 -0.098) 0.490 28.302 ( 0.527 4.493 0.400) 4.542 28.517 ( 3.596 5.557 -1.691) 6.832 28.585 ( 4.916 6.247 0.796) 7.989 28.652 ( -0.154 8.564 0.612) 8.587 33.418 ( 0.014 -0.193 -0.089) 0.213 33.432 ( -0.180 -0.192 0.044) 0.267 36.154 ( 4.157 -2.559 -3.714) 6.134 36.607 ( -0.090 5.054 -2.317) 5.560 37.234 ( -6.881 7.097 4.762) 10.973 37.614 ( 5.188 1.924 -6.158) 8.279 41.632 ( -0.766 2.673 -2.391) 3.667 41.791 ( -1.301 -1.158 3.035) 3.500 42.223 ( 3.583 12.935 0.383) 13.427 43.034 ( 14.194 19.888 -24.090) 34.312 44.559 ( -2.456 -2.299 5.268) 6.251 45.085 ( 0.838 -2.853 -1.806) 3.479 ======================= Grid point 115 (56/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.283 11.682 6.964) 13.660 1.654 ( -0.811 5.890 16.720) 17.746 2.021 ( 6.222 7.871 -0.034) 10.033 2.122 ( 0.356 -14.339 -9.246) 17.065 2.161 ( -8.622 -5.515 -2.181) 10.465 2.606 ( -0.935 -7.350 -1.500) 7.559 2.685 ( -0.152 0.164 -3.754) 3.760 2.861 ( -9.647 -2.493 -5.765) 11.512 3.194 ( 4.822 -3.823 -2.523) 6.651 3.547 ( 5.267 -7.261 3.889) 9.777 3.575 ( -0.005 -3.772 5.117) 6.357 3.842 ( -3.348 12.106 2.118) 12.738 4.014 ( -4.890 2.647 4.704) 7.283 4.170 ( 2.792 -4.119 -2.130) 5.412 4.354 ( -3.199 0.808 -1.059) 3.465 4.395 ( -6.764 -3.963 -1.939) 8.076 5.088 ( -12.401 -8.153 -0.075) 14.841 5.271 ( 5.197 -10.703 -8.642) 14.705 5.703 ( 6.204 2.779 -0.714) 6.835 5.878 ( 7.950 -0.496 1.062) 8.036 6.653 ( -6.120 0.256 0.234) 6.129 6.776 ( -3.885 10.697 2.199) 11.591 7.161 ( 5.084 -1.235 -2.563) 5.826 7.552 ( 4.337 2.288 1.741) 5.203 7.865 ( -5.573 0.056 1.544) 5.783 8.380 ( -4.882 -4.502 -1.699) 6.855 9.179 ( -3.111 -15.924 4.558) 16.854 11.555 ( 0.236 -0.969 -0.179) 1.013 11.804 ( 2.363 0.163 -0.534) 2.428 11.924 ( 1.422 0.286 -2.597) 2.975 12.071 ( -0.226 4.326 0.972) 4.440 13.750 ( 1.945 -1.375 -1.727) 2.942 14.034 ( -0.255 0.038 1.355) 1.379 14.093 ( -1.573 -1.571 0.721) 2.337 14.158 ( -2.378 1.409 -0.548) 2.818 17.556 ( -6.594 -8.476 0.029) 10.739 17.683 ( -3.968 -12.336 -0.662) 12.975 18.448 ( 4.627 4.657 -1.049) 6.648 18.514 ( 4.100 9.731 0.311) 10.565 19.515 ( -1.891 -1.112 0.365) 2.224 19.588 ( -0.401 0.488 -0.048) 0.633 20.039 ( 1.418 -1.310 0.433) 1.979 20.183 ( -0.529 -0.080 -0.037) 0.536 20.557 ( -4.223 -5.071 3.419) 7.433 21.436 ( -1.309 -2.126 0.802) 2.622 22.517 ( 0.320 0.352 -0.160) 0.502 22.545 ( 0.340 0.459 -0.053) 0.574 28.364 ( 1.721 4.059 0.341) 4.422 28.616 ( 4.495 3.243 -1.262) 5.684 28.693 ( 2.073 5.036 -0.174) 5.449 28.730 ( 1.376 4.727 1.367) 5.110 33.416 ( 0.000 -0.155 -0.086) 0.178 33.428 ( -0.188 -0.145 0.054) 0.244 36.180 ( 4.675 -2.198 -2.952) 5.950 36.622 ( -1.092 3.623 -2.183) 4.369 37.237 ( -6.114 7.967 6.200) 11.803 37.655 ( 5.178 -2.763 -4.230) 7.234 41.639 ( -0.606 3.647 -1.306) 3.920 41.796 ( 0.972 -2.279 2.901) 3.815 42.374 ( 1.822 10.281 -0.372) 10.448 43.283 ( 16.704 11.300 -16.507) 26.061 44.511 ( -4.389 -3.085 4.368) 6.918 45.084 ( 2.812 -1.493 -1.319) 3.446 ======================= Grid point 116 (57/125) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -7.882 -1.068 10.852) 13.455 1.615 ( -10.447 -13.580 0.173) 17.134 1.924 ( -4.016 4.823 3.478) 7.176 2.062 ( 1.517 2.664 -1.968) 3.643 2.264 ( 11.543 0.796 -1.564) 11.676 2.546 ( 0.977 -5.720 -0.833) 5.863 2.640 ( -6.057 -6.643 -2.539) 9.341 2.806 ( 9.013 10.092 -4.132) 14.147 3.221 ( 3.430 -0.363 -2.653) 4.352 3.545 ( 0.341 -1.347 0.862) 1.636 3.640 ( 10.823 -11.946 4.549) 16.749 3.826 ( -5.792 1.137 2.178) 6.292 3.993 ( -9.284 -2.082 1.803) 9.684 4.062 ( -3.892 -3.710 -2.303) 5.849 4.333 ( -2.034 1.127 1.116) 2.579 4.402 ( 4.622 12.213 1.851) 13.189 4.778 ( -17.677 -0.960 -1.966) 17.811 5.282 ( 12.264 -8.675 -7.301) 16.702 5.831 ( 5.239 5.208 -2.134) 7.689 6.013 ( 7.753 -0.988 2.161) 8.109 6.489 ( -9.622 -4.634 0.462) 10.690 6.865 ( -2.726 10.841 5.898) 12.639 7.131 ( -0.511 -8.400 -2.018) 8.654 7.659 ( 0.943 7.936 -1.447) 8.122 7.822 ( 2.672 -2.927 0.344) 3.978 8.265 ( -4.469 -2.598 0.717) 5.219 9.051 ( -1.654 -8.284 0.463) 8.460 11.552 ( -0.556 0.518 -0.147) 0.774 11.845 ( 2.912 -0.176 0.526) 2.965 11.921 ( 0.300 0.652 -3.078) 3.161 12.101 ( 0.314 0.433 1.345) 1.448 13.780 ( 1.723 3.207 -2.125) 4.216 14.009 ( -2.692 -1.998 2.433) 4.142 14.070 ( -0.653 -0.889 -0.323) 1.149 14.157 ( 1.049 0.788 0.333) 1.354 17.418 ( -0.510 -7.794 0.414) 7.822 17.541 ( 0.803 -9.882 -1.110) 9.977 18.538 ( 1.588 4.197 -0.653) 4.534 18.640 ( -0.681 9.818 0.006) 9.841 19.477 ( -1.770 -1.463 1.122) 2.556 19.585 ( -0.209 0.529 -0.781) 0.966 20.062 ( 1.647 0.037 0.396) 1.694 20.168 ( -0.774 -0.597 -0.268) 1.014 20.473 ( -4.087 -2.985 1.746) 5.353 21.411 ( -0.552 -0.907 0.216) 1.084 22.524 ( 0.138 0.380 -0.119) 0.422 22.552 ( 0.133 0.370 -0.025) 0.394 28.418 ( 0.455 3.390 -0.028) 3.421 28.675 ( 1.787 -0.712 -0.185) 1.932 28.741 ( -1.330 4.927 -0.435) 5.122 28.785 ( 1.715 0.306 0.873) 1.949 33.415 ( 0.063 -0.062 -0.078) 0.118 33.425 ( -0.094 -0.097 0.068) 0.152 36.222 ( 4.594 -0.624 -2.467) 5.252 36.613 ( -1.377 1.595 -1.426) 2.545 37.245 ( -6.927 5.920 6.593) 11.247 37.688 ( 6.145 -3.259 -3.407) 7.745 41.658 ( -0.700 4.069 -0.535) 4.163 41.804 ( 0.942 -3.201 1.719) 3.753 42.444 ( -1.506 4.876 -0.149) 5.106 43.555 ( 17.394 8.865 -9.872) 21.877 44.437 ( -3.894 -3.884 3.610) 6.579 45.123 ( 3.777 0.195 -1.624) 4.116 ======================= Grid point 117 (58/125) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -12.467 -7.897 13.669) 20.115 1.271 ( -12.287 -18.562 -0.074) 22.260 2.056 ( 6.336 15.221 1.822) 16.588 2.124 ( 3.633 3.557 -4.170) 6.576 2.369 ( -1.896 0.498 -6.675) 6.957 2.484 ( 9.440 -4.612 -5.309) 11.771 2.667 ( 6.605 -0.346 8.045) 10.414 2.948 ( 4.221 -1.951 0.638) 4.693 3.247 ( 2.294 -1.579 -1.607) 3.215 3.555 ( -1.469 2.307 -2.726) 3.861 3.685 ( 2.890 -8.844 -5.001) 10.563 3.803 ( 1.827 -2.065 3.104) 4.152 3.854 ( 1.133 0.169 -0.121) 1.152 4.068 ( 2.339 3.963 6.776) 8.191 4.234 ( -14.251 -1.256 3.400) 14.705 4.418 ( -4.833 0.221 -1.922) 5.206 4.812 ( 9.194 15.655 2.448) 18.319 5.366 ( 13.781 -8.033 -6.992) 17.417 5.912 ( 1.440 5.274 -3.082) 6.275 6.045 ( -4.919 0.487 -4.720) 6.834 6.375 ( 0.597 -7.097 8.539) 11.119 6.891 ( -3.738 -2.747 1.440) 4.857 7.078 ( 1.141 2.138 1.706) 2.963 7.658 ( -6.685 7.895 -2.741) 10.702 7.849 ( 1.193 -6.500 -0.201) 6.611 8.272 ( 7.464 0.164 2.572) 7.896 8.977 ( -1.509 -2.238 -1.075) 2.905 11.548 ( -0.187 1.070 -0.325) 1.134 11.881 ( 1.371 -1.257 -1.282) 2.260 11.918 ( -0.391 2.982 -0.148) 3.011 12.104 ( 0.259 -2.278 0.713) 2.401 13.817 ( -0.954 6.615 -2.215) 7.040 13.968 ( -1.741 -2.142 2.652) 3.828 14.058 ( 2.335 -4.332 -0.414) 4.939 14.185 ( 1.180 0.277 0.161) 1.223 17.424 ( 7.540 -4.173 0.373) 8.625 17.545 ( 8.498 -3.449 -0.968) 9.222 18.547 ( -3.622 1.387 0.039) 3.879 18.651 ( -6.764 6.323 -0.851) 9.298 19.457 ( -0.149 -1.497 1.799) 2.345 19.582 ( -0.253 0.842 -0.934) 1.283 20.085 ( 0.465 0.698 -0.554) 1.005 20.152 ( -0.023 -0.757 0.085) 0.762 20.404 ( -3.293 -1.736 1.934) 4.195 21.405 ( 0.359 -0.189 0.021) 0.406 22.525 ( -0.220 0.239 -0.072) 0.332 22.554 ( -0.221 0.172 -0.044) 0.283 28.428 ( -2.406 2.312 -0.666) 3.403 28.659 ( -1.448 -3.392 1.216) 3.883 28.736 ( -3.758 3.405 -0.129) 5.073 28.791 ( -1.124 -1.005 -0.258) 1.530 33.416 ( 0.173 0.045 -0.061) 0.189 33.424 ( 0.041 -0.084 0.060) 0.111 36.280 ( 4.143 2.044 -2.795) 5.400 36.596 ( -1.083 -0.109 0.380) 1.153 37.194 ( -7.758 -0.380 4.944) 9.207 37.754 ( 6.960 -0.233 -3.218) 7.671 41.683 ( -0.257 3.549 -0.039) 3.559 41.781 ( -0.622 -3.315 -0.379) 3.394 42.415 ( -5.653 0.450 1.659) 5.909 43.840 ( 15.863 8.495 -8.415) 19.865 44.381 ( -1.149 -4.112 3.139) 5.300 45.170 ( 3.015 1.214 -3.222) 4.577 ======================= Grid point 118 (59/125) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -7.356 -7.489 16.200) 19.304 0.945 ( -14.503 -6.693 3.836) 16.427 2.113 ( -10.136 2.078 -4.611) 11.328 2.309 ( 4.509 2.536 -3.426) 6.205 2.354 ( 15.839 5.150 -0.612) 16.667 2.607 ( 8.582 0.728 -7.161) 11.201 2.813 ( 6.608 -3.853 9.377) 12.101 2.967 ( 4.451 -0.380 -1.581) 4.738 3.297 ( 6.212 0.643 -0.769) 6.293 3.478 ( -4.838 4.278 -7.959) 10.250 3.535 ( -7.492 -8.177 -2.951) 11.476 3.864 ( 1.465 -4.268 0.928) 4.607 3.879 ( 3.864 -0.009 0.608) 3.911 4.095 ( -4.063 4.583 5.921) 8.519 4.270 ( 3.143 -3.468 4.330) 6.376 4.376 ( 2.404 5.428 3.291) 6.788 5.114 ( 15.858 2.779 0.671) 16.113 5.486 ( 12.004 -1.368 -3.561) 12.596 5.882 ( -9.912 2.316 -7.025) 12.367 5.958 ( 2.549 5.695 -5.097) 8.057 6.389 ( -0.361 -8.467 7.283) 11.174 6.824 ( 3.375 -7.680 0.606) 8.411 7.169 ( 0.961 7.528 3.064) 8.184 7.587 ( -8.642 7.790 -3.936) 12.282 7.740 ( -4.715 -9.403 3.443) 11.068 8.461 ( 13.468 -2.356 -1.433) 13.747 8.979 ( 1.851 3.881 3.975) 5.855 11.572 ( 2.072 1.747 -0.551) 2.765 11.849 ( -1.850 -1.036 -2.034) 2.938 11.942 ( -1.768 2.293 2.075) 3.563 12.084 ( 0.187 -1.844 -1.302) 2.265 13.851 ( -0.146 6.682 -2.863) 7.271 13.963 ( 1.337 -1.087 2.146) 2.752 14.051 ( 2.353 -5.336 0.922) 5.904 14.191 ( 0.382 -1.252 -0.956) 1.621 17.556 ( 10.946 -0.960 -0.036) 10.988 17.705 ( 11.917 1.400 -0.290) 12.003 18.460 ( -6.854 -1.455 0.459) 7.022 18.550 ( -8.975 2.394 -1.865) 9.474 19.469 ( 1.732 -1.734 2.208) 3.298 19.582 ( -0.337 1.360 -0.491) 1.485 20.081 ( -0.259 0.585 -1.815) 1.924 20.157 ( 0.441 -0.322 0.896) 1.049 20.374 ( -1.252 -0.990 4.633) 4.900 21.417 ( 1.108 -0.017 0.114) 1.114 22.521 ( -0.376 0.112 -0.044) 0.395 22.549 ( -0.447 0.029 -0.107) 0.460 28.379 ( -4.684 0.852 -1.113) 4.889 28.600 ( -4.065 -1.987 2.049) 4.967 28.689 ( -5.360 1.815 0.250) 5.665 28.726 ( -5.389 -0.646 -1.051) 5.528 33.419 ( 0.218 0.089 -0.065) 0.244 33.425 ( 0.174 -0.097 0.048) 0.205 36.347 ( 3.154 4.957 -4.307) 7.285 36.591 ( -0.376 -0.367 2.813) 2.861 37.063 ( -7.253 -7.649 2.657) 10.871 37.843 ( 5.736 2.312 -4.429) 7.607 41.705 ( 0.192 -1.348 -1.430) 1.974 41.734 ( -1.347 1.132 -0.116) 1.763 42.309 ( -9.218 -0.690 2.679) 9.625 44.042 ( 8.907 6.415 -15.621) 19.092 44.371 ( 1.648 -3.056 2.824) 4.475 45.187 ( 0.911 1.482 -4.859) 5.161 ======================= Grid point 121 (60/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -7.991 -0.259 11.656) 14.135 1.335 ( 1.477 4.643 18.888) 19.506 1.802 ( -10.353 18.437 -0.942) 21.166 2.174 ( -5.589 -2.789 -15.364) 16.585 2.279 ( 8.832 -9.988 -5.395) 14.383 2.750 ( -4.296 -2.505 1.305) 5.142 2.851 ( 11.502 -6.529 -1.657) 13.330 3.050 ( 6.696 -9.447 -6.064) 13.071 3.316 ( 10.002 -2.074 0.847) 10.250 3.592 ( -1.677 -5.522 2.031) 6.118 3.697 ( 12.112 3.432 -1.233) 12.649 3.807 ( -10.091 1.612 6.007) 11.854 3.892 ( -4.131 4.219 -1.151) 6.016 4.068 ( 6.330 -2.987 2.274) 7.359 4.190 ( 5.382 -0.271 4.229) 6.850 4.471 ( -5.369 -0.733 2.869) 6.132 5.060 ( 5.984 -13.545 -5.148) 15.678 5.673 ( 0.163 0.239 -9.749) 9.753 5.922 ( -4.573 -1.051 1.717) 4.997 6.018 ( -3.246 -7.292 -6.077) 10.033 6.287 ( 8.978 5.293 2.831) 10.800 6.652 ( 1.964 5.987 -1.839) 6.564 7.241 ( -7.465 1.303 -0.402) 7.589 7.539 ( -7.436 2.402 0.326) 7.821 7.739 ( 5.683 4.957 5.110) 9.109 8.447 ( 9.684 -11.586 -0.584) 15.112 9.490 ( 8.777 -16.751 7.979) 20.526 11.618 ( 1.743 -2.279 -0.701) 2.954 11.823 ( -0.239 1.705 0.216) 1.736 11.894 ( -2.038 1.065 -5.603) 6.057 11.975 ( -4.995 3.964 1.590) 6.572 13.825 ( 3.730 -3.538 -1.410) 5.331 14.005 ( 2.995 0.168 0.885) 3.128 14.077 ( -3.180 -2.305 0.137) 3.930 14.198 ( 2.379 0.677 -0.542) 2.532 17.663 ( -0.200 -3.027 -0.374) 3.057 17.845 ( -0.201 -3.512 0.199) 3.523 18.377 ( 1.739 -1.179 -0.635) 2.195 18.436 ( 1.049 3.298 -0.731) 3.537 19.494 ( 1.885 -1.554 0.649) 2.527 19.614 ( -0.206 0.920 -0.380) 1.016 20.116 ( -0.196 -0.755 0.755) 1.086 20.130 ( 0.293 -0.477 -0.016) 0.560 20.595 ( 6.715 -7.022 7.658) 12.372 21.462 ( 1.985 -2.226 1.642) 3.404 22.514 ( -0.149 0.146 -0.186) 0.279 22.538 ( -0.314 0.395 -0.117) 0.518 28.366 ( -0.483 6.933 1.027) 7.026 28.428 ( -5.964 1.511 -1.700) 6.383 28.578 ( -5.652 5.430 0.492) 7.853 28.684 ( -4.658 6.195 0.275) 7.756 33.418 ( 0.038 -0.187 -0.103) 0.217 33.431 ( 0.254 -0.139 0.060) 0.296 36.264 ( -7.151 -4.952 -5.071) 10.069 36.510 ( 2.131 5.522 -3.062) 6.664 37.117 ( 5.509 7.089 7.957) 11.996 37.766 ( -5.219 0.850 -7.897) 9.504 41.605 ( 1.007 3.002 -1.431) 3.474 41.904 ( 0.861 -0.078 2.742) 2.876 42.118 ( -7.134 7.788 -0.717) 10.585 43.245 ( -22.414 16.415 -29.264) 40.352 44.488 ( 3.647 -2.847 5.135) 6.912 45.156 ( -1.429 -0.810 -1.375) 2.142 ======================= Grid point 122 (61/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -17.023 13.172 9.858) 23.674 1.514 ( -1.899 3.253 18.728) 19.103 1.817 ( -4.466 8.723 -7.315) 12.229 2.090 ( 8.933 -0.388 -4.098) 9.836 2.361 ( 9.684 -2.238 -4.329) 10.841 2.654 ( -2.580 -5.554 -1.450) 6.293 2.878 ( 2.759 -13.496 -0.980) 13.809 3.028 ( 5.605 -7.071 -7.905) 11.996 3.414 ( -0.947 -7.574 4.353) 8.787 3.453 ( -1.306 -2.996 -0.539) 3.313 3.759 ( -7.716 11.193 4.185) 14.225 3.838 ( -0.190 -0.436 -1.620) 1.689 3.939 ( 8.577 2.519 0.284) 8.944 4.134 ( -0.339 0.903 1.506) 1.788 4.285 ( 5.240 -3.189 2.402) 6.587 4.423 ( 1.691 -3.122 0.666) 3.613 5.011 ( 6.682 -9.654 -3.027) 12.125 5.558 ( -1.622 -12.556 -8.586) 15.297 5.786 ( -7.374 -6.220 -0.105) 9.647 5.900 ( -3.882 1.249 -3.471) 5.355 6.487 ( 6.591 6.288 4.430) 10.129 6.767 ( 4.323 9.677 -2.615) 10.917 7.164 ( -5.694 6.081 -3.125) 8.898 7.436 ( -5.499 -2.065 2.344) 6.325 7.898 ( 4.288 5.614 3.255) 7.778 8.460 ( 6.147 -12.553 -0.375) 13.982 9.436 ( 1.832 -22.781 7.766) 24.138 11.602 ( -0.511 -2.679 -1.440) 3.084 11.802 ( -0.941 -0.584 -0.368) 1.167 11.861 ( -1.784 2.476 -1.732) 3.509 12.001 ( 0.586 6.759 0.026) 6.784 13.811 ( 0.973 -5.951 -1.494) 6.212 13.994 ( -2.966 -2.447 0.920) 3.954 14.094 ( 4.386 2.291 0.133) 4.950 14.226 ( 1.031 -0.225 -0.524) 1.178 17.682 ( 3.961 1.153 -0.372) 4.142 17.830 ( 2.579 -4.548 0.440) 5.246 18.357 ( -1.741 -2.774 -0.146) 3.278 18.427 ( -3.242 0.030 -1.121) 3.431 19.514 ( 1.551 -0.712 0.494) 1.777 19.616 ( -0.282 0.769 -0.433) 0.926 20.074 ( -1.835 -2.961 0.619) 3.538 20.159 ( 1.391 0.779 0.206) 1.607 20.649 ( 3.649 -8.879 5.949) 11.294 21.475 ( 1.241 -3.368 1.851) 4.039 22.511 ( -0.141 0.101 -0.184) 0.253 22.537 ( -0.253 0.423 -0.086) 0.501 28.357 ( -3.684 3.359 -1.236) 5.137 28.463 ( 1.835 7.258 1.871) 7.717 28.544 ( -4.686 6.579 -0.785) 8.115 28.695 ( -2.397 7.764 0.224) 8.129 33.416 ( 0.054 -0.211 -0.062) 0.226 33.433 ( 0.122 -0.173 0.020) 0.212 36.127 ( -3.067 -2.238 -2.958) 4.813 36.575 ( 1.908 5.324 -2.240) 6.083 37.290 ( 3.171 5.666 4.754) 8.047 37.640 ( -5.388 2.544 -7.285) 9.412 41.637 ( 0.550 2.800 -2.420) 3.741 41.886 ( -2.555 -3.267 2.815) 5.012 42.159 ( -0.728 14.023 0.769) 14.063 42.970 ( -11.686 20.764 -23.953) 33.785 44.551 ( 2.885 -2.474 5.345) 6.559 45.104 ( -1.808 -2.499 -1.948) 3.648 ======================= Grid point 123 (62/125) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -3.134 21.957 4.435) 22.618 1.579 ( 1.394 -1.830 12.202) 12.417 1.879 ( 0.455 14.491 1.832) 14.614 2.169 ( 2.916 -6.659 -5.009) 8.828 2.379 ( -2.504 -4.817 -3.514) 6.467 2.575 ( 1.206 -5.476 -1.027) 5.701 2.822 ( 6.374 -10.304 -5.002) 13.108 2.919 ( -4.118 -2.953 -3.292) 6.043 3.338 ( 0.300 -9.822 5.969) 11.498 3.385 ( -9.894 1.881 -1.525) 10.186 3.731 ( -6.046 -5.554 -3.884) 9.083 3.857 ( 2.458 11.351 4.175) 12.342 4.054 ( 3.118 -0.079 1.094) 3.305 4.142 ( -2.335 5.455 3.132) 6.709 4.359 ( 6.830 -3.609 1.208) 7.819 4.404 ( 3.018 -8.651 -3.591) 9.841 5.089 ( 8.580 0.273 -1.198) 8.668 5.281 ( -4.771 -23.071 -6.615) 24.470 5.704 ( -0.922 0.425 0.785) 1.283 5.802 ( -6.704 -0.767 -1.143) 6.844 6.661 ( 4.513 5.955 4.254) 8.599 6.866 ( 1.111 4.817 -5.263) 7.221 7.116 ( -5.370 9.701 -3.984) 11.782 7.418 ( 2.869 -2.448 5.431) 6.612 7.985 ( 0.107 2.330 0.583) 2.404 8.420 ( 2.201 -8.678 -1.410) 9.063 9.277 ( -2.094 -21.029 7.341) 22.372 11.553 ( -0.929 -2.238 -0.798) 2.552 11.786 ( -0.999 -0.314 -0.276) 1.083 11.874 ( 1.154 2.706 -0.562) 2.995 12.073 ( 0.887 6.028 -0.561) 6.119 13.742 ( -1.230 -5.633 -0.313) 5.774 13.978 ( 1.243 0.596 0.572) 1.493 14.141 ( 0.393 -0.660 -0.980) 1.245 14.225 ( -0.457 0.268 -0.398) 0.663 17.744 ( 0.473 -0.201 -0.930) 1.062 17.812 ( -0.500 -7.294 1.057) 7.387 18.313 ( 0.527 -0.745 -0.454) 1.019 18.376 ( -0.449 1.575 -0.350) 1.675 19.531 ( 0.613 -0.346 0.212) 0.735 19.614 ( -0.477 0.714 -0.491) 0.989 20.028 ( -1.010 -2.944 0.977) 3.262 20.182 ( 0.695 0.432 -0.003) 0.818 20.632 ( 0.070 -7.451 3.861) 8.393 21.463 ( -0.010 -3.358 1.318) 3.608 22.510 ( 0.017 0.145 -0.142) 0.204 22.537 ( -0.013 0.385 -0.048) 0.388 28.349 ( -1.068 3.683 -0.016) 3.835 28.523 ( -0.249 4.266 -0.659) 4.324 28.598 ( 2.205 7.642 0.519) 7.971 28.741 ( -0.993 7.490 0.302) 7.562 33.415 ( 0.044 -0.194 -0.039) 0.203 33.432 ( -0.045 -0.165 -0.004) 0.171 36.082 ( 0.711 -1.301 -1.391) 2.033 36.629 ( 0.911 4.439 -2.136) 5.010 37.363 ( -0.849 3.467 1.860) 4.024 37.581 ( -1.440 3.286 -3.727) 5.173 41.639 ( -0.183 1.829 -2.616) 3.197 41.841 ( -2.621 -1.686 3.377) 4.595 42.308 ( 1.778 14.230 0.305) 14.344 42.941 ( 1.903 16.782 -16.821) 23.837 44.588 ( 0.275 -2.304 4.397) 4.971 45.046 ( -0.597 -2.700 -1.387) 3.094 ======================= Grid point 124 (63/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 2.022 11.996 3.319) 12.610 1.736 ( 4.918 2.921 10.576) 12.023 1.945 ( -2.322 -12.317 -6.393) 14.070 2.068 ( -2.591 9.973 3.170) 10.781 2.211 ( -4.843 -7.989 -5.969) 11.086 2.571 ( -0.350 2.243 -1.587) 2.769 2.686 ( -3.543 -6.364 -1.529) 7.442 2.995 ( 4.057 8.232 -3.526) 9.831 3.161 ( -13.319 0.122 -0.490) 13.328 3.346 ( 6.085 -12.854 4.560) 14.935 3.562 ( -2.909 -8.425 -2.761) 9.331 3.990 ( -0.014 1.347 4.767) 4.953 4.090 ( 0.080 2.062 -1.596) 2.608 4.184 ( -4.068 7.492 3.338) 9.155 4.314 ( 0.384 1.858 -3.117) 3.649 4.462 ( 3.406 -2.463 1.351) 4.415 4.987 ( 1.467 -22.339 -1.198) 22.419 5.166 ( -1.355 -1.426 -3.863) 4.335 5.695 ( -2.066 1.299 1.816) 3.042 5.779 ( 5.837 1.685 -0.187) 6.078 6.699 ( -4.082 -1.027 -4.280) 6.003 6.894 ( 2.209 6.969 -1.107) 7.394 7.136 ( -1.695 4.588 1.575) 5.138 7.505 ( 5.323 -0.856 3.769) 6.578 7.955 ( -4.771 1.412 -1.205) 5.120 8.360 ( -0.498 -5.662 -2.252) 6.114 9.115 ( -2.591 -14.723 5.204) 15.829 11.540 ( 0.848 -0.327 0.526) 1.050 11.774 ( 0.422 -0.003 -0.826) 0.927 11.906 ( 0.713 1.223 -0.765) 1.609 12.119 ( -0.519 3.779 -0.071) 3.815 13.700 ( 1.173 -2.260 -0.116) 2.549 14.030 ( 2.270 2.692 0.611) 3.574 14.100 ( -1.639 -3.206 -0.491) 3.634 14.206 ( -2.328 0.627 -0.673) 2.503 17.628 ( -9.187 -5.354 -1.360) 10.720 17.677 ( -7.311 -8.654 1.109) 11.383 18.379 ( 6.424 2.509 -0.922) 6.958 18.487 ( 8.279 6.013 0.913) 10.273 19.524 ( -0.816 -0.847 -0.315) 1.217 19.608 ( -0.812 0.745 -0.324) 1.148 20.012 ( 0.855 -1.698 1.297) 2.302 20.187 ( -0.154 -0.067 -0.281) 0.328 20.577 ( -2.055 -5.094 1.824) 5.788 21.437 ( -0.725 -2.271 0.602) 2.459 22.514 ( 0.318 0.258 -0.080) 0.417 22.543 ( 0.305 0.348 -0.012) 0.462 28.384 ( 0.844 3.375 0.952) 3.607 28.571 ( 3.009 3.090 -2.035) 4.769 28.690 ( 2.152 3.680 0.777) 4.334 28.791 ( -0.633 5.546 0.472) 5.602 33.414 ( 0.015 -0.152 -0.028) 0.155 33.429 ( -0.147 -0.102 -0.004) 0.179 36.096 ( 2.817 -0.963 -0.336) 2.996 36.650 ( -0.576 2.772 -2.385) 3.702 37.399 ( -0.489 5.546 2.464) 6.089 37.566 ( -0.716 -0.584 -2.203) 2.389 41.651 ( 1.204 2.498 -1.668) 3.236 41.813 ( -2.149 -1.264 3.268) 4.111 42.438 ( 1.148 9.562 -1.921) 9.820 43.089 ( 10.154 12.145 -8.362) 17.903 44.565 ( -2.945 -3.077 2.498) 4.937 45.033 ( 1.593 -1.057 0.208) 1.923 ======================= Grid point 125 (64/125) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -2.963 -13.333 3.825) 14.184 1.583 ( -10.983 -6.019 -6.055) 13.911 2.003 ( 6.551 -2.788 0.294) 7.126 2.095 ( -1.917 2.825 2.469) 4.213 2.147 ( 3.991 8.061 -1.991) 9.213 2.549 ( -3.718 -0.340 5.007) 6.245 2.662 ( -1.281 0.636 -0.538) 1.528 2.912 ( -12.650 14.191 -6.183) 19.990 3.171 ( 4.786 4.452 2.242) 6.911 3.346 ( 8.315 -16.624 -0.653) 18.599 3.501 ( 4.019 -4.536 1.220) 6.182 3.947 ( -6.269 -4.594 3.808) 8.655 4.026 ( -6.188 -2.234 -6.198) 9.039 4.094 ( -2.704 -3.559 -0.374) 4.485 4.401 ( -4.984 -0.556 0.353) 5.027 4.557 ( 4.323 25.412 7.031) 26.718 4.949 ( 11.832 -13.247 -1.813) 17.854 4.973 ( -11.863 -8.632 -2.890) 14.953 5.758 ( 5.675 2.787 0.050) 6.323 5.918 ( 7.094 2.959 1.477) 7.827 6.558 ( -6.271 -3.750 -4.785) 8.734 6.989 ( 2.893 5.580 -0.908) 6.351 7.100 ( -6.180 -3.708 2.702) 7.697 7.614 ( 7.393 -0.464 2.354) 7.773 7.888 ( -6.692 6.150 -0.803) 9.124 8.271 ( -2.048 -6.178 -1.883) 6.776 9.012 ( -1.188 -6.652 1.889) 7.016 11.564 ( 0.430 1.050 0.759) 1.365 11.792 ( 2.539 -0.180 -0.348) 2.569 11.913 ( 0.220 0.842 -0.920) 1.266 12.123 ( -1.406 0.586 0.179) 1.533 13.741 ( 4.247 1.597 -0.198) 4.541 14.022 ( -2.306 -3.477 0.036) 4.172 14.107 ( 0.915 2.595 1.325) 3.054 14.157 ( -2.636 -0.486 -1.337) 2.995 17.431 ( -7.886 -4.246 -0.489) 8.970 17.505 ( -5.705 -5.209 0.360) 7.734 18.500 ( 6.101 1.974 -0.655) 6.446 18.669 ( 6.109 5.220 0.867) 8.082 19.491 ( -1.551 -1.467 -0.245) 2.149 19.599 ( -0.853 0.903 -0.400) 1.305 20.037 ( 2.083 -0.162 1.300) 2.461 20.173 ( -0.855 -0.585 -0.601) 1.198 20.506 ( -2.910 -3.189 0.279) 4.326 21.413 ( -0.657 -0.964 0.157) 1.177 22.522 ( 0.391 0.255 -0.026) 0.468 22.551 ( 0.360 0.243 0.011) 0.434 28.438 ( 1.271 2.998 1.084) 3.432 28.625 ( 3.112 -0.011 -2.088) 3.747 28.743 ( 2.089 0.646 0.581) 2.263 28.818 ( -1.332 2.916 0.500) 3.245 33.413 ( 0.031 -0.071 -0.016) 0.080 33.426 ( -0.158 -0.039 0.004) 0.163 36.145 ( 3.972 0.103 0.343) 3.988 36.636 ( -1.331 0.960 -1.987) 2.577 37.451 ( -7.181 6.415 4.642) 10.689 37.538 ( 5.900 -3.682 -3.387) 7.736 41.694 ( 1.098 4.097 -1.199) 4.407 41.788 ( -1.275 -2.726 2.715) 4.053 42.486 ( 0.097 2.713 -2.414) 3.633 43.350 ( 13.789 10.714 -1.855) 17.561 44.485 ( -4.385 -3.925 1.396) 6.049 45.072 ( 2.752 0.975 0.542) 2.969 ======================= Grid point 126 (65/125) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.107 -20.844 0.739) 20.857 1.333 ( -14.897 -4.339 2.685) 15.746 2.045 ( 3.629 1.567 -5.290) 6.604 2.152 ( 4.563 3.911 0.367) 6.021 2.304 ( 4.590 7.712 -3.581) 9.663 2.493 ( -13.999 1.680 1.524) 14.182 2.617 ( 5.661 2.398 4.170) 7.429 2.949 ( 0.508 8.645 0.615) 8.682 3.204 ( -0.447 -11.128 2.393) 11.391 3.394 ( 11.148 -1.377 -2.101) 11.427 3.589 ( 5.500 1.703 1.417) 5.929 3.797 ( -5.354 -5.381 -3.005) 8.164 3.872 ( -5.836 -1.307 -0.560) 6.007 4.078 ( 1.604 0.549 0.468) 1.758 4.351 ( -1.722 0.725 0.353) 1.902 4.628 ( -17.430 -1.769 -0.696) 17.533 4.926 ( 1.648 12.192 2.992) 12.662 5.028 ( 15.151 -1.348 -1.591) 15.294 5.881 ( 6.286 2.321 -0.848) 6.755 6.024 ( 2.893 -0.244 0.603) 2.966 6.397 ( -5.889 -5.355 -0.072) 7.960 6.930 ( -7.662 -9.216 0.762) 12.009 7.086 ( 3.724 6.048 -0.926) 7.162 7.734 ( 6.797 -2.761 0.559) 7.358 7.846 ( -8.178 10.237 -0.361) 13.107 8.189 ( 1.403 -6.924 0.009) 7.065 8.979 ( -0.317 0.304 -0.003) 0.439 11.568 ( -0.943 0.742 0.017) 1.200 11.834 ( 2.388 0.014 -0.525) 2.445 11.935 ( 1.393 2.215 0.702) 2.709 12.096 ( -1.180 -1.727 -0.192) 2.101 13.840 ( 4.638 4.023 -0.012) 6.139 13.954 ( -2.147 -3.825 0.216) 4.392 14.072 ( -4.278 -0.349 -0.430) 4.314 14.162 ( 1.504 -0.220 0.220) 1.536 17.341 ( -0.264 -0.485 0.003) 0.552 17.449 ( 1.409 1.046 -0.005) 1.755 18.569 ( 1.543 -0.400 -0.001) 1.594 18.747 ( -0.760 1.429 -0.013) 1.618 19.457 ( -0.878 -1.621 0.392) 1.885 19.594 ( -0.560 1.217 -0.504) 1.431 20.077 ( 1.461 0.703 0.742) 1.783 20.147 ( -0.658 -0.903 -0.664) 1.300 20.440 ( -2.569 -1.895 0.053) 3.193 21.402 ( -0.164 -0.138 -0.001) 0.214 22.528 ( 0.111 0.107 0.000) 0.154 22.556 ( 0.069 0.037 -0.000) 0.078 28.474 ( -0.873 2.303 -0.007) 2.463 28.633 ( 1.400 -3.340 0.027) 3.622 28.777 ( 1.545 -0.831 -0.070) 1.756 28.809 ( -2.435 1.702 0.049) 2.971 33.414 ( 0.117 0.033 -0.000) 0.122 33.424 ( -0.102 -0.028 0.000) 0.106 36.223 ( 4.432 2.297 0.122) 4.994 36.610 ( -0.994 -0.351 -0.295) 1.094 37.330 ( -8.879 -4.805 0.420) 10.104 37.645 ( 6.276 4.117 -0.244) 7.510 41.726 ( -1.385 2.925 -0.057) 3.237 41.760 ( 0.027 -2.190 0.067) 2.191 42.473 ( -1.122 -1.663 -0.016) 2.006 43.657 ( 13.534 9.977 -0.364) 16.818 44.394 ( -3.230 -3.929 1.123) 5.209 45.128 ( 2.416 2.124 -0.804) 3.316 ======================= Grid point 127 (66/125) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -2.734 -14.522 10.189) 17.950 1.119 ( -8.851 -4.504 6.147) 11.680 2.112 ( 6.076 4.993 -5.672) 9.696 2.227 ( 1.532 -0.735 -5.116) 5.391 2.349 ( -3.156 3.832 3.483) 6.064 2.451 ( 6.217 10.908 -6.835) 14.295 2.763 ( 6.585 -0.212 1.130) 6.684 2.956 ( -5.790 -0.142 3.987) 7.031 3.202 ( 7.975 -3.068 4.735) 9.769 3.498 ( 4.070 -3.048 -2.213) 5.545 3.560 ( -7.623 3.237 -6.933) 10.800 3.787 ( 5.242 -3.115 2.245) 6.498 3.839 ( 2.557 0.335 1.259) 2.870 4.140 ( 5.406 -3.224 0.781) 6.342 4.313 ( -11.524 2.636 4.394) 12.611 4.405 ( -2.997 2.556 -3.584) 5.326 4.929 ( 7.239 -12.849 -4.078) 15.302 5.361 ( 9.010 19.123 3.479) 21.424 5.961 ( 1.485 4.804 -2.844) 5.777 5.980 ( -5.601 -1.180 -3.381) 6.647 6.330 ( 2.153 -9.700 7.513) 12.457 6.751 ( -4.084 -8.683 -0.376) 9.603 7.203 ( 4.600 6.329 -0.768) 7.862 7.734 ( -2.032 -6.123 0.012) 6.452 7.790 ( -9.479 9.572 -1.353) 13.539 8.230 ( 10.249 -6.779 0.822) 12.316 9.011 ( 1.378 4.998 1.343) 5.356 11.566 ( 0.251 0.899 -0.463) 1.042 11.843 ( -0.106 -0.483 -1.052) 1.163 11.990 ( 0.404 2.305 2.894) 3.722 12.063 ( -0.254 -1.054 -1.881) 2.171 13.891 ( -1.696 -2.999 -1.326) 3.692 13.931 ( 2.163 2.659 -0.124) 3.429 14.027 ( -0.473 0.469 1.608) 1.740 14.166 ( 0.178 -1.554 -0.446) 1.627 17.412 ( 7.242 3.181 -0.046) 7.910 17.563 ( 8.630 5.364 0.025) 10.161 18.534 ( -4.107 -3.368 0.714) 5.359 18.674 ( -6.932 -2.353 -1.437) 7.460 19.444 ( 0.598 -1.661 1.007) 2.032 19.598 ( -0.245 1.467 -0.310) 1.519 20.085 ( -0.775 0.451 -1.040) 1.373 20.146 ( 1.091 -0.363 0.699) 1.345 20.402 ( -1.017 -1.222 1.554) 2.223 21.405 ( 0.457 0.068 0.026) 0.463 22.527 ( -0.233 -0.028 -0.014) 0.235 22.554 ( -0.268 -0.112 -0.047) 0.294 28.442 ( -3.579 0.072 -1.251) 3.792 28.630 ( 0.077 -1.675 2.324) 2.866 28.751 ( -2.514 -2.035 -0.311) 3.249 28.790 ( -2.525 2.098 -0.726) 3.362 33.417 ( 0.182 0.095 -0.004) 0.205 33.423 ( 0.018 -0.061 -0.004) 0.063 36.317 ( 3.787 4.810 -1.821) 6.387 36.606 ( 0.250 -0.372 2.484) 2.524 37.119 ( -8.983 -9.990 -0.819) 13.460 37.771 ( 4.831 4.851 -1.108) 6.935 41.689 ( -1.696 -3.214 -0.551) 3.676 41.768 ( -0.307 3.434 -0.539) 3.490 42.421 ( -4.162 -2.347 1.746) 5.087 43.899 ( 8.009 7.470 -5.191) 12.120 44.346 ( 0.163 -2.342 1.311) 2.689 45.166 ( 0.986 2.336 -2.281) 3.411 ======================= Grid point 130 (67/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 17.602 -7.662 10.258) 21.766 1.376 ( 8.913 -1.880 14.588) 17.199 2.035 ( -3.215 3.441 -10.132) 11.173 2.170 ( -6.962 -0.755 -3.012) 7.623 2.360 ( -17.541 15.603 -5.146) 24.034 2.584 ( 7.576 -6.508 0.434) 9.996 2.783 ( 1.876 -8.985 -7.718) 11.993 2.897 ( -9.660 -8.789 3.522) 13.526 3.117 ( 14.052 -2.793 1.917) 14.455 3.521 ( 5.161 -2.477 0.820) 5.783 3.591 ( 2.134 1.617 -3.476) 4.388 3.871 ( -0.586 -4.632 5.505) 7.218 3.940 ( 2.623 -4.436 1.867) 5.482 4.141 ( 3.222 0.469 2.696) 4.228 4.246 ( -13.032 19.236 3.785) 23.541 4.514 ( 0.508 -1.890 0.857) 2.136 4.778 ( 13.413 -10.746 -2.256) 17.334 5.612 ( -3.924 -6.507 -12.206) 14.378 5.927 ( 1.543 2.950 -4.747) 5.797 5.948 ( -1.211 -8.245 -1.916) 8.551 6.250 ( 4.421 3.178 5.639) 7.839 6.677 ( 2.808 6.069 3.682) 7.634 7.320 ( -5.014 -4.188 0.945) 6.601 7.689 ( 8.361 4.208 1.030) 9.417 7.753 ( -13.371 7.464 -0.423) 15.319 8.225 ( 8.014 -8.238 1.395) 11.577 9.265 ( 7.524 -11.675 1.859) 14.013 11.585 ( 0.540 -0.460 -0.164) 0.728 11.831 ( 1.084 2.036 -0.244) 2.319 11.907 ( -3.174 -1.099 -4.028) 5.245 12.080 ( -3.314 2.029 1.629) 4.214 13.759 ( 1.149 -0.299 -1.837) 2.187 13.998 ( 1.083 2.555 2.461) 3.709 14.082 ( -0.283 -2.298 -0.767) 2.439 14.168 ( 0.572 -0.939 -0.061) 1.101 17.577 ( 1.216 -9.491 0.139) 9.570 17.745 ( 1.173 -11.102 -0.784) 11.192 18.387 ( 0.392 6.002 -0.869) 6.077 18.528 ( -1.594 10.286 -0.260) 10.412 19.457 ( 1.749 -1.310 1.085) 2.440 19.617 ( 0.135 0.355 -0.784) 0.871 20.110 ( 1.353 0.881 0.429) 1.670 20.131 ( -1.400 -1.662 0.063) 2.174 20.497 ( 4.979 -3.715 4.095) 7.440 21.427 ( 1.276 -1.291 0.622) 1.919 22.518 ( -0.215 0.340 -0.182) 0.442 22.546 ( -0.233 0.406 -0.063) 0.472 28.430 ( 0.604 5.671 1.032) 5.796 28.513 ( -5.159 0.119 -1.891) 5.496 28.695 ( -2.984 3.631 0.801) 4.768 28.790 ( -2.929 3.116 0.395) 4.295 33.416 ( -0.027 -0.123 -0.098) 0.160 33.427 ( 0.195 -0.106 0.074) 0.234 36.304 ( -7.051 -3.955 -5.281) 9.657 36.507 ( 2.102 4.441 -1.273) 5.076 37.146 ( 5.897 6.471 8.828) 12.433 37.776 ( -3.558 -2.376 -5.184) 6.721 41.616 ( 0.259 2.938 -0.564) 3.003 41.895 ( 1.453 -1.599 2.318) 3.169 42.276 ( -4.701 6.384 -1.075) 8.000 43.515 ( -18.505 9.002 -18.682) 27.793 44.437 ( 3.181 -2.911 4.496) 6.230 45.176 ( -2.510 -0.053 -1.120) 2.749 ======================= Grid point 131 (68/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 5.560 -4.535 12.524) 14.434 1.603 ( 5.485 -1.207 12.304) 13.525 1.867 ( -6.616 1.790 -7.984) 10.522 2.098 ( -4.708 0.691 2.532) 5.391 2.261 ( -2.690 21.164 -9.007) 23.158 2.623 ( -2.631 -8.919 -5.605) 10.857 2.697 ( 9.505 -8.159 0.148) 12.527 2.783 ( 4.005 -12.196 -3.663) 13.349 3.294 ( 8.624 -0.756 0.927) 8.706 3.506 ( -7.765 -5.814 1.975) 9.899 3.671 ( 14.090 -4.598 -0.387) 14.827 3.847 ( 3.120 -1.713 3.494) 4.987 4.043 ( 5.544 1.134 0.990) 5.745 4.189 ( 0.441 0.781 0.524) 1.039 4.209 ( -12.575 13.211 2.105) 18.360 4.450 ( -4.906 -3.563 -0.327) 6.072 4.843 ( 6.357 -3.539 1.347) 7.399 5.382 ( -1.967 -19.141 -10.082) 21.723 5.810 ( -4.161 -2.874 -3.057) 5.909 5.963 ( -1.465 2.528 0.469) 2.960 6.433 ( 8.970 5.590 1.754) 10.714 6.804 ( 2.484 8.445 2.121) 9.054 7.229 ( -2.782 -2.989 0.808) 4.163 7.590 ( -12.031 2.217 0.140) 12.234 7.858 ( 7.198 4.210 -1.016) 8.401 8.277 ( 6.076 -7.036 1.859) 9.480 9.243 ( 4.246 -16.375 2.898) 17.163 11.584 ( -0.062 -0.691 -0.589) 0.910 11.819 ( -2.781 -1.334 -0.897) 3.212 11.872 ( 0.997 2.582 -2.121) 3.487 12.070 ( -1.811 3.504 1.332) 4.163 13.756 ( 0.199 -1.080 -1.551) 1.900 14.023 ( -2.100 -2.616 1.132) 3.541 14.074 ( 1.535 3.384 1.037) 3.858 14.183 ( 2.693 -1.349 -0.855) 3.131 17.552 ( 6.499 -7.758 0.056) 10.121 17.674 ( 4.752 -12.234 -0.407) 13.131 18.417 ( -3.322 4.932 -0.145) 5.948 18.557 ( -6.122 8.827 -0.876) 10.777 19.484 ( 2.059 -0.682 1.038) 2.404 19.616 ( 0.128 0.105 -1.013) 1.026 20.086 ( -2.175 -2.377 0.645) 3.286 20.143 ( 1.585 0.886 0.032) 1.816 20.555 ( 4.170 -5.048 3.457) 7.404 21.437 ( 1.286 -2.124 0.762) 2.597 22.516 ( -0.316 0.367 -0.154) 0.509 22.545 ( -0.328 0.470 -0.046) 0.575 28.433 ( -4.309 1.911 -1.876) 5.074 28.517 ( 1.485 6.783 1.935) 7.208 28.671 ( -4.985 4.013 0.281) 6.406 28.784 ( -1.815 4.418 -0.115) 4.778 33.414 ( 0.003 -0.146 -0.038) 0.151 33.429 ( 0.198 -0.147 0.011) 0.247 36.159 ( -5.121 -1.760 -2.116) 5.814 36.574 ( 2.280 4.377 -1.449) 5.144 37.332 ( 3.359 7.039 5.783) 9.709 37.654 ( -3.118 -3.499 -5.855) 7.500 41.645 ( 0.236 3.192 -1.449) 3.513 41.888 ( -0.373 -4.180 1.723) 4.537 42.306 ( -1.695 11.655 0.720) 11.799 43.216 ( -16.724 12.590 -15.771) 26.209 44.500 ( 4.338 -2.933 4.682) 7.025 45.112 ( -3.201 -1.610 -1.806) 4.012 ======================= Grid point 132 (69/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -8.488 15.815 3.388) 18.266 1.529 ( 4.255 -10.903 3.646) 12.259 1.929 ( 2.486 -0.297 7.836) 8.226 2.169 ( 3.925 5.653 -0.294) 6.889 2.373 ( -7.055 9.605 -6.791) 13.717 2.486 ( 7.827 -1.129 -7.145) 10.658 2.613 ( 0.117 -14.584 3.639) 15.032 2.847 ( 7.967 -2.439 -5.932) 10.228 3.331 ( -6.503 -7.978 7.081) 12.493 3.387 ( 3.987 -3.069 -2.559) 5.645 3.761 ( 1.214 -6.861 1.850) 7.209 3.980 ( 11.035 1.567 -0.611) 11.162 4.036 ( -9.264 9.465 -0.902) 13.274 4.147 ( 1.646 -10.431 0.939) 10.602 4.252 ( 1.693 9.989 0.303) 10.136 4.341 ( -4.484 -0.128 -1.971) 4.900 4.991 ( 8.813 5.799 3.640) 11.161 5.082 ( -3.403 -25.265 -6.948) 26.423 5.734 ( -3.016 0.957 -1.202) 3.385 5.912 ( -6.935 -1.766 2.536) 7.592 6.622 ( 8.010 4.629 0.666) 9.275 6.899 ( -1.214 6.536 -1.390) 6.792 7.201 ( 0.940 0.742 -1.393) 1.837 7.451 ( -6.859 0.019 2.483) 7.294 7.965 ( 4.332 2.011 -2.176) 5.248 8.306 ( 3.334 -4.914 0.770) 5.988 9.157 ( 0.855 -15.689 4.183) 16.259 11.554 ( -1.587 -1.092 -0.949) 2.148 11.794 ( -0.396 -0.435 0.937) 1.106 11.885 ( -0.072 2.088 -1.076) 2.350 12.105 ( 0.748 4.290 0.100) 4.355 13.720 ( -1.578 -2.732 -0.464) 3.189 13.993 ( -0.720 1.026 1.404) 1.882 14.116 ( 0.751 -0.116 -1.203) 1.423 14.209 ( 2.069 -0.373 -0.411) 2.143 17.629 ( 8.890 -4.799 -1.017) 10.154 17.680 ( 7.859 -9.019 1.311) 12.034 18.376 ( -5.874 3.225 0.725) 6.740 18.486 ( -9.045 5.160 -1.318) 10.496 19.517 ( 1.480 -0.060 1.013) 1.794 19.609 ( 0.271 -0.040 -1.851) 1.871 20.035 ( -2.072 -2.445 1.438) 3.513 20.171 ( 1.116 0.577 -0.217) 1.274 20.576 ( 2.113 -5.053 1.846) 5.779 21.437 ( 0.710 -2.284 0.562) 2.457 22.513 ( -0.292 0.270 -0.085) 0.407 22.543 ( -0.317 0.344 -0.001) 0.468 28.393 ( -1.922 2.139 -1.104) 3.081 28.589 ( -2.132 3.557 1.946) 4.580 28.648 ( -0.929 5.561 -0.488) 5.659 28.807 ( -0.450 4.361 -0.297) 4.394 33.413 ( 0.026 -0.117 0.003) 0.120 33.430 ( 0.109 -0.135 -0.030) 0.176 36.087 ( -2.417 -0.349 0.370) 2.470 36.630 ( 1.681 3.548 -2.148) 4.475 37.411 ( -2.128 3.245 0.470) 3.909 37.592 ( 1.309 -0.271 -1.642) 2.118 41.649 ( -0.980 1.929 -2.372) 3.211 41.859 ( -0.159 -3.360 2.452) 4.162 42.409 ( 0.280 11.287 -0.986) 11.334 43.059 ( -8.634 13.811 -7.147) 17.787 44.563 ( 3.146 -2.663 3.201) 5.218 45.042 ( -2.251 -1.715 -0.747) 2.926 ======================= Grid point 133 (70/125) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -3.008 6.266 -4.125) 8.082 1.713 ( 7.763 -0.351 9.234) 12.068 1.889 ( -4.321 -7.608 -2.110) 9.000 2.105 ( -1.133 -8.558 -11.273) 14.199 2.288 ( -6.616 8.426 6.263) 12.409 2.599 ( 1.420 -4.663 -1.959) 5.253 2.650 ( 3.252 13.431 -2.031) 13.967 2.899 ( 8.194 0.359 1.246) 8.296 3.230 ( -3.195 -11.773 8.410) 14.816 3.360 ( -0.873 -1.570 -1.392) 2.273 3.621 ( -14.073 2.737 -4.528) 15.035 4.027 ( -3.340 3.363 3.379) 5.821 4.104 ( 2.884 2.320 -0.456) 3.730 4.145 ( 7.874 -10.600 -2.377) 13.417 4.275 ( 5.813 -3.101 -3.016) 7.246 4.437 ( 2.764 17.988 3.515) 18.535 4.767 ( -2.102 -24.090 -5.293) 24.754 5.183 ( 1.922 5.429 3.608) 6.796 5.723 ( 0.979 0.995 1.154) 1.811 5.787 ( -6.074 -2.284 2.679) 7.021 6.719 ( -0.952 -0.205 -3.629) 3.757 6.880 ( 0.164 4.359 -4.469) 6.245 7.237 ( -0.581 3.899 1.791) 4.329 7.426 ( 2.608 -3.849 3.028) 5.548 8.013 ( 0.386 4.364 -1.663) 4.686 8.295 ( 0.348 -3.968 -1.526) 4.266 9.057 ( -1.037 -11.252 4.028) 11.997 11.532 ( 0.291 -0.076 0.330) 0.446 11.781 ( -1.285 -0.074 0.533) 1.393 11.905 ( 0.611 1.352 -0.397) 1.535 12.148 ( 0.323 2.448 -0.263) 2.483 13.677 ( -0.456 -1.687 0.423) 1.798 14.036 ( 1.630 4.170 0.852) 4.557 14.082 ( -1.151 -3.650 -1.364) 4.063 14.224 ( -0.035 0.258 -0.583) 0.638 17.654 ( -0.067 -3.980 -1.124) 4.136 17.720 ( -0.356 -3.718 1.497) 4.023 18.342 ( -1.075 2.120 0.089) 2.379 18.435 ( 1.538 2.843 0.305) 3.246 19.529 ( -0.579 -0.293 0.264) 0.701 19.606 ( 0.813 0.258 -2.108) 2.274 20.006 ( -0.642 -1.556 2.224) 2.789 20.183 ( 0.292 0.113 -0.478) 0.571 20.556 ( 0.036 -4.025 -0.053) 4.026 21.427 ( 0.015 -1.541 0.209) 1.555 22.512 ( 0.016 0.191 -0.001) 0.192 22.543 ( -0.016 0.198 0.047) 0.205 28.397 ( 0.709 1.484 0.028) 1.644 28.574 ( -1.735 1.902 -0.291) 2.591 28.701 ( 1.005 2.732 0.429) 2.942 28.836 ( 0.026 2.615 -0.232) 2.625 33.413 ( 0.008 -0.064 0.024) 0.069 33.430 ( -0.012 -0.058 -0.044) 0.074 36.076 ( -0.042 0.188 2.080) 2.089 36.656 ( 0.372 2.065 -3.070) 3.718 37.396 ( 0.736 0.383 -2.357) 2.498 37.617 ( -1.115 2.311 2.084) 3.306 41.643 ( 0.519 1.859 -1.726) 2.589 41.846 ( -0.855 -2.290 2.647) 3.603 42.469 ( 0.248 5.199 -5.561) 7.616 43.112 ( 0.203 13.726 3.858) 14.259 44.572 ( -0.295 -2.984 0.324) 3.016 45.021 ( 0.236 -0.182 2.140) 2.161 ======================= Grid point 134 (71/125) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -8.556 -6.261 -6.922) 12.661 1.591 ( -2.455 -10.668 -8.038) 13.580 1.855 ( 5.063 -7.765 1.897) 9.462 2.152 ( 6.927 10.808 -0.003) 12.838 2.263 ( -12.170 7.659 2.128) 14.536 2.523 ( 2.882 -6.291 -1.820) 7.155 2.795 ( -2.819 12.820 5.164) 14.105 3.082 ( 4.935 -9.185 -1.253) 10.502 3.110 ( 0.239 -3.447 7.686) 8.427 3.376 ( -9.429 20.020 -0.564) 22.137 3.412 ( -3.582 -2.065 -2.207) 4.687 3.982 ( -4.896 -1.704 0.043) 5.184 4.061 ( -0.767 -4.625 -4.205) 6.298 4.138 ( -5.048 2.116 0.330) 5.483 4.372 ( 6.185 -6.557 -1.695) 9.172 4.553 ( 11.233 -21.207 -2.539) 24.132 4.758 ( 6.300 25.270 3.466) 26.273 5.114 ( -12.477 -3.930 4.925) 13.978 5.736 ( 1.029 0.835 1.466) 1.977 5.855 ( 6.807 4.892 2.292) 8.690 6.584 ( -6.322 -2.664 -7.248) 9.980 6.929 ( 3.538 1.256 -4.171) 5.612 7.222 ( -6.678 -0.552 3.323) 7.480 7.485 ( 8.142 -4.385 1.829) 9.427 8.049 ( -2.817 7.869 1.686) 8.526 8.222 ( -2.569 -4.648 -3.692) 6.468 8.990 ( -0.571 -4.214 1.585) 4.538 11.563 ( 1.687 1.067 1.138) 2.297 11.774 ( 0.079 0.655 0.440) 0.793 11.912 ( 0.088 0.253 -0.390) 0.473 12.147 ( -1.418 -0.478 -0.171) 1.506 13.698 ( 2.887 1.355 0.841) 3.298 14.017 ( -1.405 -4.045 -0.661) 4.333 14.107 ( 1.657 3.561 0.404) 3.948 14.198 ( -2.694 -0.094 -0.910) 2.845 17.551 ( -9.024 0.625 -1.214) 9.127 17.615 ( -9.194 -0.333 1.619) 9.342 18.398 ( 6.494 -0.098 -0.229) 6.499 18.570 ( 9.876 0.745 1.345) 9.995 19.502 ( -1.693 -0.644 -0.868) 2.009 19.608 ( 0.233 0.475 -1.271) 1.377 20.019 ( 1.301 -0.146 2.336) 2.678 20.176 ( -0.616 -0.398 -0.761) 1.057 20.508 ( -1.384 -2.773 -1.696) 3.533 21.415 ( -0.382 -0.455 -0.027) 0.595 22.517 ( 0.354 0.096 0.067) 0.373 22.547 ( 0.319 0.051 0.073) 0.331 28.437 ( 2.399 0.752 1.334) 2.847 28.572 ( 0.979 -0.140 -1.994) 2.226 28.724 ( 0.886 -0.958 0.670) 1.467 28.847 ( -0.129 0.205 -0.167) 0.294 33.412 ( -0.009 0.004 0.041) 0.042 33.428 ( -0.114 0.033 -0.046) 0.127 36.112 ( 1.993 0.794 3.172) 3.830 36.643 ( -0.744 0.586 -3.149) 3.288 37.409 ( 3.477 -3.152 -4.170) 6.278 37.621 ( -4.057 4.980 4.522) 7.856 41.682 ( 2.633 2.854 -1.053) 4.023 41.817 ( -2.187 -2.335 2.268) 3.922 42.452 ( 0.940 -1.715 -5.830) 6.149 43.328 ( 5.858 12.784 9.847) 17.167 44.513 ( -3.068 -3.117 -1.096) 4.509 45.062 ( 1.600 1.357 3.499) 4.080 ======================= Grid point 135 (72/125) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -7.076 -5.266 -9.199) 12.744 1.396 ( -2.704 -12.883 -9.110) 16.009 2.003 ( 7.063 2.290 6.314) 9.747 2.106 ( -4.522 -0.924 2.278) 5.147 2.358 ( 1.773 14.830 -2.911) 15.217 2.550 ( 4.680 -0.213 -3.514) 5.857 2.808 ( -13.542 6.042 6.189) 16.068 2.941 ( -0.395 -15.779 7.346) 17.410 3.133 ( -1.348 7.424 -5.612) 9.404 3.418 ( 0.275 6.506 3.828) 7.554 3.526 ( 3.843 10.041 2.100) 10.954 3.848 ( -7.696 -2.675 -2.108) 8.416 4.002 ( -10.159 -1.246 -0.560) 10.251 4.045 ( 1.199 2.484 -2.719) 3.873 4.321 ( 2.526 -6.119 -4.052) 7.761 4.583 ( 9.582 -17.517 -3.625) 20.293 4.881 ( -7.484 -4.044 2.680) 8.919 5.167 ( 4.244 28.633 7.360) 29.867 5.807 ( 4.566 2.012 2.355) 5.518 5.994 ( 3.530 2.338 1.752) 4.582 6.423 ( -5.141 -3.789 -5.982) 8.750 6.934 ( -0.165 -4.853 -1.894) 5.212 7.100 ( -4.998 -1.166 -0.402) 5.148 7.607 ( 8.406 -1.441 1.500) 8.659 8.080 ( -3.625 4.633 5.465) 8.029 8.095 ( -4.719 -3.168 -5.598) 7.977 8.989 ( 0.738 2.942 -0.977) 3.187 11.584 ( -0.638 0.206 0.113) 0.680 11.811 ( 2.062 1.540 1.385) 2.922 11.929 ( 1.892 1.576 0.111) 2.465 12.100 ( -2.138 -2.739 -0.320) 3.489 13.787 ( 4.628 1.851 1.660) 5.254 13.970 ( -1.175 -0.701 -0.256) 1.392 14.097 ( -2.723 -3.371 -2.232) 4.874 14.174 ( -1.011 2.548 0.798) 2.855 17.426 ( -7.778 4.590 -0.441) 9.042 17.521 ( -5.855 5.500 1.084) 8.106 18.495 ( 6.099 -2.283 0.253) 6.517 18.698 ( 5.901 -3.319 0.738) 6.811 19.464 ( -1.589 -0.620 -0.785) 1.877 19.606 ( -0.140 0.721 -0.827) 1.106 20.064 ( 2.010 0.714 1.906) 2.861 20.149 ( -1.202 -0.745 -1.044) 1.758 20.449 ( -1.674 -1.843 -2.340) 3.417 21.408 ( -0.441 0.282 -0.090) 0.531 22.524 ( 0.367 -0.082 0.082) 0.384 22.553 ( 0.320 -0.149 0.068) 0.359 28.491 ( 1.403 0.667 1.656) 2.271 28.563 ( 2.155 -3.742 -2.120) 4.811 28.735 ( 2.077 -2.411 0.571) 3.233 28.834 ( -0.486 -1.357 -0.317) 1.476 33.413 ( 0.034 0.087 0.060) 0.111 33.426 ( -0.176 0.065 -0.050) 0.195 36.192 ( 3.606 2.373 3.361) 5.471 36.614 ( -0.695 -0.347 -1.820) 1.979 37.337 ( -2.549 -8.737 -4.681) 10.234 37.676 ( -0.331 8.164 4.269) 9.219 41.741 ( 1.508 0.812 -0.333) 1.745 41.769 ( -2.215 -0.342 0.467) 2.289 42.415 ( 2.620 -5.592 -2.750) 6.759 43.620 ( 8.084 11.809 10.787) 17.921 44.421 ( -4.034 -2.828 -1.081) 5.043 45.124 ( 1.463 2.121 2.548) 3.624 ======================= Grid point 136 (73/125) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 2.731 1.804 -1.537) 3.617 1.179 ( -4.987 -14.712 -0.146) 15.535 2.039 ( 1.951 5.228 -3.381) 6.524 2.218 ( 3.617 3.791 2.429) 5.775 2.438 ( -5.105 7.378 1.455) 9.089 2.580 ( -2.206 7.603 -5.523) 9.652 2.663 ( -3.488 1.752 -1.792) 4.295 2.943 ( 9.890 -11.015 1.938) 14.929 3.190 ( -2.816 7.297 11.109) 13.586 3.454 ( -1.184 1.429 2.371) 3.011 3.673 ( -5.279 -1.640 -6.121) 8.248 3.703 ( 2.835 6.622 3.374) 7.954 3.846 ( -4.821 -2.472 0.962) 5.502 4.072 ( 1.016 -0.549 -3.152) 3.357 4.343 ( 8.557 -2.626 -6.315) 10.955 4.483 ( -1.902 -6.985 -1.663) 7.428 4.762 ( -7.985 -3.384 0.845) 8.713 5.508 ( 3.594 23.456 2.693) 23.882 5.931 ( 5.451 2.208 3.608) 6.899 6.015 ( -1.943 0.214 1.050) 2.219 6.286 ( -3.071 -6.626 -1.955) 7.560 6.783 ( -8.318 -8.676 2.390) 12.255 7.132 ( 7.068 3.900 -4.428) 9.208 7.690 ( 2.274 -3.078 0.250) 3.835 7.981 ( -0.986 -1.702 -5.396) 5.743 8.091 ( -3.661 2.086 6.541) 7.780 9.040 ( 1.321 6.122 -1.705) 6.491 11.568 ( -0.593 0.019 -0.568) 0.822 11.844 ( -0.140 0.470 0.512) 0.709 12.006 ( 3.180 3.532 1.943) 5.134 12.043 ( -0.928 -2.966 -1.181) 3.324 13.843 ( 1.196 -3.825 1.992) 4.476 13.955 ( -1.978 1.268 -2.913) 3.742 14.044 ( 1.158 1.658 0.524) 2.089 14.172 ( -1.677 0.386 0.719) 1.865 17.413 ( -0.881 7.888 0.174) 7.939 17.558 ( 0.828 9.833 0.308) 9.873 18.524 ( 1.090 -5.053 0.835) 5.237 18.686 ( -1.076 -7.211 -0.632) 7.318 19.437 ( -0.711 -0.601 -0.131) 0.940 19.608 ( 0.033 0.946 -0.633) 1.138 20.097 ( -0.534 0.412 0.203) 0.704 20.129 ( 0.919 -0.272 0.162) 0.972 20.402 ( -0.620 -1.465 -1.491) 2.180 21.405 ( -0.240 0.457 -0.049) 0.519 22.527 ( 0.104 -0.243 0.029) 0.265 22.554 ( 0.045 -0.295 0.036) 0.301 28.468 ( -2.041 -2.532 -1.341) 3.518 28.595 ( 4.168 -1.641 2.083) 4.940 28.737 ( 0.757 -3.238 -0.334) 3.342 28.814 ( -0.083 -0.835 -0.562) 1.010 33.416 ( 0.100 0.144 0.064) 0.187 33.424 ( -0.159 0.035 -0.050) 0.171 36.299 ( 3.653 4.596 1.375) 6.030 36.605 ( 0.780 -0.350 0.839) 1.198 37.138 ( -7.224 -11.387 -3.212) 13.863 37.779 ( 1.392 7.137 1.776) 7.485 41.691 ( -2.479 -3.602 0.374) 4.389 41.794 ( 0.416 3.438 -1.262) 3.686 42.400 ( 2.674 -5.707 -0.082) 6.303 43.885 ( 4.454 10.007 6.580) 12.778 44.343 ( -1.872 -1.390 -0.749) 2.449 45.171 ( 0.550 2.251 1.027) 2.535 ======================= Grid point 139 (74/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 6.949 -12.236 11.664) 18.278 1.222 ( 15.907 -3.944 6.867) 17.770 2.095 ( -2.987 8.373 -6.434) 10.974 2.253 ( -3.788 0.844 -3.150) 4.998 2.343 ( 1.569 -2.084 0.944) 2.774 2.602 ( -0.426 -9.359 -9.806) 13.562 2.838 ( -4.091 9.157 0.102) 10.030 2.911 ( 2.079 -4.353 8.645) 9.900 3.130 ( -20.741 -4.927 3.634) 21.626 3.504 ( -6.053 1.111 -3.329) 6.996 3.554 ( 2.126 3.497 -5.191) 6.611 3.828 ( 6.491 -1.093 7.693) 10.124 3.919 ( -4.968 -7.696 0.157) 9.162 4.124 ( 1.061 0.569 2.298) 2.594 4.340 ( 13.624 -7.016 -0.739) 15.343 4.456 ( 13.914 3.898 0.248) 14.452 4.732 ( -13.657 17.856 3.707) 22.783 5.504 ( -6.477 -15.888 -12.259) 21.087 5.889 ( 2.203 3.397 -4.826) 6.299 5.960 ( -3.838 4.926 -2.623) 6.773 6.262 ( 0.081 -3.169 7.998) 8.603 6.713 ( 2.638 4.689 5.712) 7.847 7.329 ( -1.998 -6.688 -1.292) 7.098 7.579 ( 9.474 4.874 -2.738) 11.001 8.039 ( -4.498 -4.445 3.480) 7.218 8.074 ( -3.709 5.569 1.444) 6.845 9.080 ( 4.936 -7.277 -2.259) 9.079 11.586 ( -0.435 0.447 0.062) 0.627 11.834 ( 0.606 2.569 -0.624) 2.712 11.909 ( -1.219 -1.837 -2.317) 3.198 12.129 ( -1.243 -0.773 1.129) 1.848 13.757 ( -0.553 3.418 -2.115) 4.057 13.996 ( 3.635 0.888 1.285) 3.957 14.085 ( -3.333 -1.943 0.614) 3.907 14.162 ( -0.720 -1.104 0.753) 1.518 17.523 ( -4.927 -7.378 0.336) 8.878 17.672 ( -4.694 -8.093 -1.220) 9.435 18.413 ( 3.118 5.802 -0.868) 6.643 18.601 ( 3.513 8.099 0.039) 8.828 19.436 ( 0.606 -0.682 1.339) 1.621 19.608 ( 0.397 -0.113 -0.886) 0.978 20.101 ( 0.785 0.940 -0.245) 1.249 20.138 ( -0.979 -1.228 0.169) 1.580 20.418 ( 4.273 -2.360 2.107) 5.317 21.411 ( 0.154 -0.417 0.179) 0.479 22.522 ( 0.035 0.290 -0.143) 0.325 22.550 ( 0.036 0.276 -0.044) 0.281 28.453 ( 2.824 3.650 1.139) 4.753 28.555 ( -2.250 -1.267 -1.865) 3.185 28.736 ( 1.021 1.107 0.303) 1.536 28.826 ( 0.769 0.133 0.730) 1.069 33.416 ( -0.103 -0.022 -0.114) 0.155 33.425 ( 0.001 -0.049 0.113) 0.124 36.335 ( -5.022 -1.669 -7.164) 8.907 36.516 ( 0.770 2.507 1.672) 3.110 37.147 ( 7.277 3.666 8.867) 12.042 37.798 ( -5.681 -1.548 -3.435) 6.817 41.644 ( -0.435 3.191 0.536) 3.264 41.859 ( 1.979 -2.943 1.102) 3.714 42.337 ( 1.505 2.286 -0.824) 2.858 43.769 ( -16.880 7.916 -11.257) 21.779 44.406 ( 0.645 -2.523 3.656) 4.488 45.213 ( -2.835 0.330 -1.405) 3.181 ======================= Grid point 140 (75/125) ======================= q-point: ( 0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 19.963 -11.348 9.040) 24.679 1.493 ( 14.773 -2.561 9.902) 17.968 2.024 ( -11.340 9.162 -6.612) 16.008 2.183 ( -3.704 1.637 0.206) 4.055 2.338 ( 4.429 -8.284 -11.361) 14.742 2.530 ( 5.352 -6.964 1.280) 8.876 2.712 ( -17.554 -1.897 2.335) 17.810 2.756 ( -12.274 8.054 -0.871) 14.707 3.158 ( 13.376 2.100 5.056) 14.453 3.451 ( 2.884 -3.214 -3.816) 5.763 3.570 ( -2.441 0.075 -1.616) 2.928 3.801 ( 0.299 -6.186 2.494) 6.677 3.963 ( 5.444 0.449 4.420) 7.027 4.116 ( 0.996 -5.122 -1.660) 5.476 4.396 ( 2.535 -7.138 -0.817) 7.619 4.655 ( -3.771 14.396 5.497) 15.865 4.763 ( -0.626 9.569 0.624) 9.610 5.174 ( -4.210 -21.270 -9.608) 23.716 5.848 ( -3.966 1.409 -3.291) 5.343 5.989 ( 0.929 4.560 -1.190) 4.803 6.355 ( 7.054 1.623 3.799) 8.175 6.844 ( 3.592 6.079 4.477) 8.360 7.222 ( -2.114 -7.749 -1.242) 8.128 7.727 ( 5.059 1.115 0.556) 5.210 7.847 ( -11.847 3.458 -3.478) 12.822 8.167 ( 5.712 -2.016 3.786) 7.143 9.068 ( 3.922 -8.971 -0.525) 9.805 11.582 ( -0.222 -0.227 0.038) 0.320 11.844 ( -2.364 -0.422 -2.691) 3.606 11.874 ( 0.337 2.659 0.379) 2.706 12.112 ( -0.712 -0.350 0.962) 1.246 13.769 ( -1.254 3.891 -1.557) 4.375 14.017 ( 0.125 -4.254 0.434) 4.278 14.091 ( 2.949 2.140 2.143) 4.227 14.139 ( -1.215 -0.681 -0.694) 1.556 17.413 ( 0.862 -7.663 0.249) 7.716 17.533 ( -0.851 -9.205 -0.859) 9.284 18.497 ( 0.095 6.122 -0.434) 6.138 18.694 ( -1.466 7.136 -0.272) 7.290 19.456 ( 1.660 -0.528 1.230) 2.132 19.605 ( 0.150 -0.384 -0.907) 0.996 20.102 ( -1.642 -1.144 -0.316) 2.026 20.128 ( 1.224 0.542 0.396) 1.396 20.473 ( 3.958 -2.945 1.783) 5.245 21.411 ( 0.538 -0.932 0.212) 1.096 22.523 ( -0.172 0.395 -0.101) 0.442 22.553 ( -0.119 0.376 -0.035) 0.396 28.494 ( -3.374 -0.018 -1.354) 3.636 28.549 ( 2.858 5.376 1.308) 6.227 28.752 ( -1.253 2.057 0.187) 2.416 28.826 ( -0.940 0.462 0.074) 1.050 33.413 ( -0.066 -0.038 -0.045) 0.088 33.426 ( 0.097 -0.111 0.038) 0.152 36.215 ( -4.919 -0.366 -2.588) 5.571 36.570 ( 1.782 3.003 0.176) 3.497 37.345 ( 7.522 3.696 6.114) 10.374 37.652 ( -6.632 -3.231 -4.650) 8.720 41.671 ( -0.414 3.415 -0.142) 3.443 41.850 ( 0.787 -4.817 0.416) 4.899 42.399 ( 1.376 6.459 0.627) 6.633 43.508 ( -17.529 10.254 -9.264) 22.321 44.435 ( 3.434 -3.343 3.714) 6.063 45.146 ( -3.801 -0.662 -2.024) 4.357 ======================= Grid point 141 (76/125) ======================= q-point: ( 0.44 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 18.151 -8.615 9.220) 22.106 1.622 ( -4.756 1.683 -2.956) 5.847 1.952 ( -0.824 2.948 2.899) 4.216 2.143 ( -2.912 -1.539 0.815) 3.393 2.246 ( 8.169 -6.281 -9.238) 13.840 2.518 ( -4.860 -12.170 0.224) 13.106 2.651 ( 9.421 1.340 1.577) 9.646 2.701 ( -8.247 23.051 -3.327) 24.707 3.326 ( 0.622 4.515 -2.570) 5.232 3.440 ( -6.574 -5.936 3.559) 9.545 3.537 ( 13.100 -12.053 6.973) 19.118 3.851 ( 5.889 -1.283 0.504) 6.049 4.018 ( 2.463 -2.961 -3.511) 5.212 4.100 ( 3.298 -0.715 0.615) 3.430 4.368 ( 0.621 0.728 -0.863) 1.288 4.579 ( -20.150 15.204 -5.304) 25.794 4.852 ( -0.251 -17.912 -3.956) 18.345 4.972 ( 6.356 3.488 6.094) 9.471 5.796 ( -3.612 1.830 0.014) 4.049 5.994 ( -3.447 -1.552 2.106) 4.328 6.522 ( 9.266 3.573 -0.789) 9.962 6.971 ( 0.735 7.250 1.573) 7.454 7.124 ( 1.546 -8.586 -1.763) 8.900 7.616 ( -11.711 -0.377 1.562) 11.821 7.872 ( 6.874 2.412 -3.896) 8.261 8.246 ( 3.263 -0.360 2.108) 3.901 9.037 ( 2.095 -8.546 1.110) 8.869 11.564 ( -1.373 -0.872 -0.714) 1.776 11.809 ( -0.827 0.307 1.093) 1.405 11.898 ( -0.263 2.175 -0.744) 2.313 12.120 ( 0.858 0.956 0.229) 1.304 13.749 ( -3.575 1.120 -0.271) 3.756 14.009 ( 1.204 -0.474 1.711) 2.145 14.104 ( -0.814 -1.720 -2.101) 2.835 14.164 ( 2.991 1.322 0.507) 3.309 17.437 ( 8.471 -3.933 -0.231) 9.342 17.501 ( 5.634 -5.198 0.461) 7.680 18.505 ( -4.774 3.539 0.741) 5.989 18.663 ( -8.014 3.304 -0.936) 8.719 19.493 ( 2.429 0.001 0.973) 2.617 19.592 ( -0.220 -0.607 -1.727) 1.843 20.061 ( -2.216 -1.522 1.189) 2.939 20.156 ( 1.338 0.711 -0.368) 1.559 20.506 ( 2.859 -3.126 0.292) 4.247 21.413 ( 0.626 -1.009 0.118) 1.193 22.521 ( -0.402 0.278 -0.021) 0.490 22.552 ( -0.345 0.232 0.013) 0.416 28.437 ( -3.053 0.438 -1.002) 3.243 28.640 ( 1.623 3.814 1.629) 4.454 28.723 ( -4.258 1.468 0.101) 4.505 28.826 ( 0.495 0.665 -0.765) 1.128 33.412 ( -0.022 -0.002 0.022) 0.032 33.427 ( 0.157 -0.102 -0.029) 0.189 36.145 ( -3.829 0.982 0.982) 4.073 36.618 ( 1.648 2.347 -1.343) 3.167 37.493 ( -3.216 -5.414 -5.586) 8.418 37.516 ( 3.858 5.019 5.043) 8.093 41.676 ( -1.762 2.298 -1.528) 3.274 41.823 ( 1.345 -4.487 1.088) 4.809 42.475 ( 0.373 5.416 -0.930) 5.508 43.333 ( -13.143 12.893 -0.540) 18.419 44.490 ( 4.581 -3.215 1.927) 5.919 45.074 ( -3.354 -0.379 -0.438) 3.404 ======================= Grid point 142 (77/125) ======================= q-point: (-0.44 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -0.005 -3.839 -4.634) 6.018 1.616 ( 5.380 -4.887 1.394) 7.401 1.905 ( -5.520 -1.766 -1.548) 5.999 2.028 ( -3.279 -3.282 -4.826) 6.694 2.328 ( 4.607 -5.942 -0.149) 7.520 2.492 ( 8.433 4.180 2.991) 9.876 2.798 ( 5.383 0.865 0.514) 5.476 2.824 ( -1.464 20.798 0.508) 20.856 3.283 ( -5.981 -4.008 1.356) 7.326 3.343 ( -1.288 -1.476 4.185) 4.621 3.669 ( 8.957 -8.318 7.829) 14.516 3.886 ( 2.729 -3.491 -3.060) 5.385 4.042 ( 3.260 1.325 -5.084) 6.183 4.166 ( 3.772 2.896 -1.312) 4.933 4.312 ( -11.364 3.037 -3.276) 12.210 4.478 ( 1.307 -5.433 -3.534) 6.612 4.625 ( -3.036 3.289 -2.993) 5.384 5.225 ( 6.532 9.272 8.275) 14.039 5.760 ( -2.964 0.954 1.788) 3.590 5.884 ( -7.619 -5.870 4.219) 10.503 6.657 ( 5.374 1.259 -4.399) 7.058 6.939 ( -5.494 2.085 -3.992) 7.104 7.161 ( 8.044 -3.535 0.773) 8.820 7.474 ( -7.351 -1.039 1.546) 7.584 7.976 ( 6.077 1.532 -1.511) 6.447 8.287 ( -0.011 3.171 -0.508) 3.211 8.998 ( 0.487 -6.463 1.894) 6.752 11.534 ( -0.643 -0.382 -0.108) 0.756 11.812 ( -1.341 0.074 2.150) 2.535 11.906 ( 0.130 1.266 -0.681) 1.443 12.148 ( 1.315 0.545 -0.216) 1.440 13.696 ( -2.900 -0.199 0.792) 3.012 14.046 ( -0.567 -0.671 -1.539) 1.772 14.069 ( 1.282 1.091 0.956) 1.935 14.209 ( 1.726 0.563 -0.515) 1.887 17.558 ( 8.232 0.553 -1.196) 8.337 17.618 ( 9.920 -0.424 2.057) 10.140 18.438 ( -6.732 0.950 1.841) 7.043 18.519 ( -9.512 -0.193 -1.263) 9.597 19.535 ( 1.169 0.260 1.319) 1.782 19.569 ( 0.504 -0.450 -3.485) 3.550 20.029 ( -1.684 -1.018 2.352) 3.067 20.174 ( 0.719 0.357 -0.650) 1.033 20.508 ( 1.398 -2.721 -1.732) 3.516 21.414 ( 0.413 -0.480 -0.055) 0.635 22.517 ( -0.347 0.106 0.058) 0.367 22.547 ( -0.326 0.036 0.080) 0.338 28.400 ( -1.014 -0.293 -0.518) 1.175 28.640 ( -4.509 0.156 1.202) 4.669 28.705 ( 0.619 0.587 -0.091) 0.858 28.833 ( 0.842 -0.750 -0.851) 1.412 33.413 ( -0.011 0.061 0.062) 0.088 33.428 ( 0.130 -0.028 -0.063) 0.147 36.123 ( -2.472 1.566 3.636) 4.667 36.641 ( 0.821 1.214 -2.893) 3.243 37.377 ( -1.699 -2.638 -5.643) 6.457 37.639 ( 2.919 2.519 5.000) 6.314 41.654 ( -1.236 1.698 -1.604) 2.643 41.825 ( 1.722 -3.481 1.647) 4.219 42.470 ( -1.802 0.186 -4.898) 5.222 43.340 ( -6.199 14.018 10.714) 18.700 44.524 ( 2.651 -2.965 -1.028) 4.108 45.047 ( -1.092 0.839 3.024) 3.323 ======================= Grid point 143 (78/125) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -2.955 -6.420 -11.027) 13.097 1.432 ( -3.631 -20.509 -9.526) 22.903 1.802 ( -3.509 2.378 1.656) 4.551 2.137 ( 7.414 10.829 3.430) 13.564 2.380 ( 5.424 -1.661 -0.208) 5.676 2.538 ( -9.315 0.659 2.294) 9.616 2.902 ( 8.387 7.386 -4.912) 12.207 3.021 ( -0.550 10.708 9.319) 14.206 3.151 ( -5.869 -6.095 8.347) 11.886 3.382 ( 1.737 2.342 -0.078) 2.916 3.709 ( -6.449 7.312 -0.936) 9.794 3.947 ( 13.355 -8.760 0.018) 15.971 4.013 ( -1.791 -2.616 -6.072) 6.849 4.172 ( 2.039 -1.792 -2.896) 3.969 4.235 ( -6.461 2.501 1.033) 7.005 4.296 ( -0.658 -7.867 -5.827) 9.812 4.865 ( 8.023 22.127 -0.038) 23.536 5.332 ( -8.269 2.818 9.759) 13.098 5.739 ( -0.917 -2.490 2.755) 3.825 5.837 ( 3.107 3.843 3.960) 6.332 6.601 ( -4.492 -3.837 -7.554) 9.590 6.893 ( -0.847 3.246 -4.830) 5.880 7.270 ( 7.299 -2.394 1.762) 7.881 7.365 ( -3.983 -4.740 1.202) 6.307 8.041 ( 3.455 -4.361 -0.846) 5.627 8.308 ( -3.909 10.195 -0.737) 10.943 8.969 ( 0.295 -2.022 0.245) 2.058 11.550 ( 1.855 1.052 1.021) 2.364 11.798 ( -1.530 0.521 1.341) 2.101 11.907 ( -0.036 -0.829 -0.359) 0.904 12.154 ( -0.381 -1.358 0.129) 1.416 13.691 ( 0.710 2.045 1.163) 2.458 13.993 ( -0.983 -3.086 -1.268) 3.478 14.131 ( 0.805 3.937 1.017) 4.145 14.219 ( -0.551 0.107 -0.837) 1.008 17.651 ( 0.075 4.788 -0.974) 4.887 17.729 ( -0.625 2.627 1.601) 3.140 18.351 ( -2.735 -1.405 0.441) 3.106 18.452 ( 3.406 -2.142 1.188) 4.195 19.521 ( -1.812 0.058 -1.405) 2.294 19.582 ( 2.055 0.121 -1.546) 2.575 20.026 ( -0.122 0.009 2.821) 2.824 20.174 ( -0.191 -0.148 -0.854) 0.888 20.480 ( 0.018 -1.979 -3.715) 4.210 21.416 ( 0.041 0.315 -0.194) 0.372 22.515 ( 0.017 -0.015 0.113) 0.115 22.545 ( -0.009 -0.111 0.130) 0.172 28.398 ( 2.005 -1.458 0.012) 2.479 28.579 ( -3.019 -1.259 0.121) 3.273 28.701 ( 0.319 -3.195 0.317) 3.226 28.823 ( 0.860 -3.117 -0.781) 3.326 33.414 ( -0.037 0.120 0.085) 0.152 33.429 ( 0.035 0.072 -0.078) 0.112 36.141 ( -0.774 1.675 5.380) 5.688 36.631 ( -0.105 0.163 -3.577) 3.583 37.316 ( 1.220 -2.998 -6.386) 7.159 37.720 ( 0.085 3.345 6.008) 6.877 41.666 ( 1.522 2.572 -1.024) 3.159 41.821 ( 0.179 -3.382 1.486) 3.699 42.384 ( -1.409 -4.940 -5.428) 7.474 43.498 ( -0.988 12.275 17.536) 21.428 44.507 ( -0.400 -2.124 -2.314) 3.166 45.086 ( 0.745 1.435 5.311) 5.552 ======================= Grid point 144 (79/125) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -7.144 -10.020 -9.196) 15.363 1.181 ( 0.440 -13.013 -18.373) 22.519 1.939 ( 8.350 7.964 9.578) 14.996 2.245 ( -6.090 -4.644 4.861) 9.071 2.408 ( 3.597 0.486 -2.520) 4.419 2.491 ( -1.022 10.674 -1.110) 10.780 2.911 ( -6.234 -3.460 1.574) 7.302 3.102 ( -5.128 12.370 4.366) 14.085 3.195 ( -0.374 2.383 4.654) 5.242 3.406 ( 1.856 1.241 2.892) 3.654 3.678 ( -3.554 5.885 -3.657) 7.787 3.904 ( -0.910 -4.603 -3.617) 5.924 4.021 ( -3.793 5.735 -5.107) 8.565 4.118 ( 4.852 -13.723 -3.087) 14.879 4.229 ( -9.849 6.427 3.179) 12.183 4.267 ( 11.972 -5.385 -3.160) 13.502 5.014 ( -7.610 3.794 3.165) 9.073 5.387 ( 1.665 20.389 6.043) 21.331 5.789 ( 4.301 2.365 4.405) 6.595 5.981 ( 4.342 4.385 4.025) 7.368 6.428 ( -5.954 -4.066 -7.618) 10.489 6.872 ( 0.526 -0.223 -4.944) 4.977 7.189 ( -8.216 -5.065 1.725) 9.805 7.452 ( 11.090 -1.188 0.939) 11.193 7.976 ( -0.427 -11.032 -3.326) 11.530 8.337 ( -7.142 12.457 3.341) 14.743 8.988 ( 2.012 4.501 -3.441) 6.012 11.596 ( 0.499 1.391 0.759) 1.661 11.809 ( 1.087 1.184 1.801) 2.414 11.901 ( 1.790 -0.845 -0.770) 2.123 12.112 ( -2.570 -3.104 0.799) 4.108 13.765 ( 3.242 4.139 1.869) 5.581 13.963 ( 0.490 -0.839 -0.134) 0.980 14.123 ( -4.892 -1.539 -0.957) 5.217 14.208 ( -0.213 2.005 -0.448) 2.065 17.615 ( -8.831 6.455 -0.881) 10.974 17.702 ( -7.054 7.081 1.528) 10.111 18.373 ( 5.688 -2.214 0.450) 6.121 18.542 ( 8.650 -5.226 1.409) 10.204 19.484 ( -1.880 0.543 -1.692) 2.587 19.598 ( 0.937 0.136 -1.016) 1.389 20.057 ( 1.319 0.790 2.464) 2.904 20.155 ( -1.046 -0.537 -1.014) 1.553 20.430 ( -0.756 -1.458 -4.910) 5.178 21.418 ( -0.340 0.854 -0.227) 0.947 22.518 ( 0.293 -0.146 0.122) 0.349 22.546 ( 0.267 -0.255 0.139) 0.394 28.436 ( 4.771 -2.515 0.367) 5.405 28.520 ( -1.984 -3.348 -0.655) 3.946 28.678 ( 1.590 -4.930 0.799) 5.241 28.796 ( 1.070 -4.890 -0.802) 5.070 33.415 ( -0.039 0.177 0.106) 0.210 33.429 ( -0.104 0.127 -0.090) 0.187 36.202 ( 1.613 2.363 6.228) 6.853 36.603 ( -0.325 -0.399 -2.949) 2.993 37.249 ( -0.105 -6.124 -6.914) 9.237 37.790 ( -1.024 5.749 6.016) 8.384 41.723 ( 2.455 2.609 -0.556) 3.625 41.786 ( -1.318 -2.739 0.333) 3.058 42.293 ( 1.547 -8.242 -3.201) 8.976 43.737 ( 2.958 10.839 19.702) 22.680 44.450 ( -3.104 -1.334 -1.735) 3.798 45.147 ( 0.903 1.354 5.156) 5.407 ======================= Grid point 145 (80/125) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 1.967 3.745 -7.672) 8.761 0.987 ( 4.875 -14.416 -13.222) 20.159 2.137 ( -4.821 -1.124 6.342) 8.045 2.192 ( 5.795 4.536 4.300) 8.523 2.430 ( 3.649 -2.861 -0.314) 4.648 2.607 ( 3.734 11.154 -1.181) 11.822 2.840 ( -3.985 2.918 1.417) 5.139 2.945 ( -19.169 6.153 -1.386) 20.180 3.310 ( 2.212 7.061 6.428) 9.801 3.504 ( 1.681 0.311 4.565) 4.875 3.630 ( 0.108 0.026 -5.516) 5.518 3.857 ( -5.590 3.284 2.350) 6.896 3.930 ( -2.928 -3.706 -4.604) 6.596 4.058 ( 0.616 -9.067 -2.515) 9.430 4.096 ( -6.840 -1.006 -1.849) 7.157 4.379 ( 8.326 -2.335 -2.427) 8.981 4.975 ( -8.229 10.867 5.497) 14.698 5.627 ( 4.049 15.021 -2.462) 15.751 5.927 ( 2.634 3.538 6.417) 7.787 6.075 ( 0.433 4.734 5.117) 6.984 6.262 ( -4.638 -4.287 -6.740) 9.236 6.832 ( -2.853 -4.952 0.757) 5.764 7.072 ( -1.307 1.170 -2.084) 2.724 7.605 ( 7.410 -0.476 0.754) 7.464 7.830 ( 0.866 -13.234 -4.255) 13.929 8.342 ( -9.411 10.770 5.696) 15.395 9.050 ( 2.183 7.067 -6.055) 9.559 11.589 ( -2.006 1.030 -0.254) 2.269 11.849 ( 0.852 -0.246 1.456) 1.705 11.958 ( 4.953 0.648 -1.902) 5.345 12.049 ( -2.045 -2.052 2.686) 3.951 13.836 ( -0.378 0.808 2.483) 2.638 13.987 ( -5.082 -1.492 -2.090) 5.694 14.024 ( 4.109 2.962 0.084) 5.067 14.211 ( -1.460 0.860 0.227) 1.710 17.555 ( -6.097 8.766 0.129) 10.678 17.696 ( -4.582 11.032 0.632) 11.963 18.435 ( 4.421 -4.453 0.698) 6.314 18.585 ( 3.634 -8.840 0.306) 9.563 19.453 ( -1.645 0.755 -1.027) 2.081 19.604 ( 0.538 0.278 -0.897) 1.082 20.103 ( 1.472 0.816 1.895) 2.535 20.124 ( -1.204 -0.483 -0.943) 1.604 20.376 ( -0.255 -1.601 -4.475) 4.760 21.418 ( -0.583 0.939 -0.157) 1.117 22.521 ( 0.254 -0.302 0.062) 0.399 22.549 ( 0.242 -0.376 0.109) 0.460 28.440 ( -0.240 -5.577 -1.951) 5.913 28.514 ( 5.209 -1.715 2.234) 5.922 28.673 ( 2.491 -5.022 0.388) 5.619 28.768 ( 2.039 -4.749 -0.883) 5.243 33.417 ( 0.001 0.216 0.117) 0.246 33.427 ( -0.214 0.113 -0.093) 0.259 36.306 ( 2.931 4.149 4.828) 7.008 36.588 ( 0.870 -0.365 -1.064) 1.422 37.104 ( -4.172 -9.715 -4.948) 11.674 37.863 ( -1.212 6.877 3.696) 7.901 41.705 ( -2.765 -3.552 1.077) 4.629 41.797 ( 1.572 3.016 -2.304) 4.108 42.261 ( 5.535 -8.373 -0.622) 10.057 44.006 ( 2.453 10.931 16.770) 20.167 44.372 ( -3.915 -0.436 -1.717) 4.297 45.197 ( 0.319 1.241 3.878) 4.084 ======================= Grid point 148 (81/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -2.637 -7.420 12.597) 14.856 0.934 ( 18.166 -6.296 4.443) 19.732 2.117 ( -0.550 8.331 -7.891) 11.488 2.339 ( -5.840 0.224 -2.638) 6.412 2.382 ( 7.239 -0.843 0.367) 7.297 2.483 ( -7.170 -1.046 -2.724) 7.741 2.840 ( -4.808 -0.700 4.853) 6.867 3.111 ( -14.176 -4.961 3.761) 15.482 3.317 ( -7.181 0.595 -4.279) 8.381 3.508 ( 4.085 2.829 -4.643) 6.801 3.601 ( -0.600 -0.711 2.037) 2.240 3.790 ( 4.836 1.897 7.503) 9.126 3.964 ( -7.511 -5.516 0.696) 9.345 4.067 ( 10.727 -1.845 1.519) 10.990 4.163 ( 1.252 6.096 3.741) 7.261 4.351 ( 0.135 -0.808 -5.522) 5.582 5.058 ( -11.889 4.370 -0.771) 12.690 5.482 ( -11.025 -2.114 -4.932) 12.261 5.885 ( 1.060 7.221 -3.962) 8.304 6.059 ( -4.295 5.947 -4.370) 8.539 6.283 ( -2.021 -6.615 7.466) 10.177 6.762 ( -0.166 3.228 5.548) 6.420 7.245 ( 0.696 -9.903 -3.444) 10.508 7.480 ( 7.919 8.552 -2.498) 11.921 7.885 ( 9.900 -7.224 5.838) 13.575 8.388 ( -17.305 5.144 -1.054) 18.084 8.963 ( 2.560 -1.869 -1.342) 3.442 11.603 ( -1.556 0.189 -0.051) 1.569 11.849 ( 0.391 3.260 -1.510) 3.614 11.883 ( 1.810 -0.932 0.104) 2.039 12.125 ( -0.210 -2.761 -0.230) 2.778 13.805 ( -1.875 5.736 -2.193) 6.421 13.964 ( 1.059 0.927 -0.125) 1.413 14.097 ( -2.240 -7.264 1.647) 7.778 14.193 ( -1.514 1.706 1.114) 2.539 17.601 ( -9.832 -3.769 0.673) 10.552 17.730 ( -9.387 -3.098 -1.405) 9.985 18.384 ( 4.868 3.926 -0.673) 6.290 18.560 ( 8.172 4.198 -0.284) 9.192 19.446 ( -1.097 -0.176 1.677) 2.011 19.595 ( 0.549 -0.014 -0.490) 0.736 20.099 ( 0.113 1.076 -1.147) 1.577 20.139 ( -0.385 -1.063 0.171) 1.143 20.352 ( 3.674 -1.612 2.690) 4.831 21.416 ( -0.790 0.110 0.072) 0.801 22.520 ( 0.281 0.134 -0.100) 0.327 22.549 ( 0.306 0.092 -0.071) 0.328 28.423 ( 5.005 1.614 1.386) 5.438 28.533 ( 1.351 -2.405 -1.824) 3.307 28.689 ( 4.949 -0.596 -0.326) 4.995 28.779 ( 4.904 -1.650 0.980) 5.266 33.417 ( -0.205 0.056 -0.132) 0.250 33.427 ( -0.137 -0.013 0.134) 0.192 36.342 ( -2.970 0.748 -8.209) 8.762 36.544 ( -0.122 0.926 2.963) 3.106 37.102 ( 6.888 -0.586 8.248) 10.762 37.878 ( -7.007 0.807 -2.906) 7.628 41.695 ( -1.126 3.884 1.810) 4.430 41.798 ( 2.248 -3.770 -0.203) 4.394 42.264 ( 7.349 -1.336 -0.225) 7.473 44.025 ( -14.627 8.171 -10.168) 19.599 44.418 ( -2.373 -2.641 2.125) 4.138 45.241 ( -1.877 0.311 -3.219) 3.739 ======================= Grid point 149 (82/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 2.399 -2.144 8.595) 9.177 1.242 ( 19.735 -2.972 6.835) 21.096 2.155 ( 0.509 6.275 -4.853) 7.949 2.186 ( -3.997 -11.573 -8.254) 14.766 2.331 ( -13.197 8.597 -0.642) 15.764 2.469 ( 3.024 2.678 3.811) 5.553 2.811 ( -11.226 -13.586 4.811) 18.269 2.946 ( 8.983 -1.319 3.882) 9.874 3.166 ( -11.396 6.832 -4.324) 13.973 3.514 ( -7.771 3.029 -4.850) 9.648 3.570 ( 0.895 6.622 -3.201) 7.410 3.785 ( -6.062 -8.496 2.427) 10.716 3.948 ( 3.797 4.380 6.120) 8.430 4.055 ( -4.113 -8.496 -3.347) 10.015 4.247 ( 10.643 -2.746 2.845) 11.354 4.517 ( 14.577 -1.019 3.010) 14.920 4.939 ( -1.806 -6.430 -3.052) 7.344 5.255 ( -20.155 11.516 -2.156) 23.313 5.897 ( -1.952 5.475 -6.422) 8.662 6.025 ( -2.010 3.038 -1.479) 3.932 6.298 ( 3.579 -3.139 6.599) 8.137 6.862 ( 3.678 4.091 4.762) 7.276 7.135 ( 0.061 -10.351 -3.227) 10.843 7.645 ( 6.673 5.689 -2.419) 9.096 7.981 ( 1.728 -6.691 6.298) 9.350 8.166 ( -9.530 2.701 -3.426) 10.481 8.979 ( 0.963 -0.633 0.019) 1.152 11.582 ( -0.469 -1.161 0.292) 1.286 11.852 ( -0.818 1.069 -2.844) 3.147 11.914 ( -0.458 3.763 1.512) 4.081 12.099 ( 0.645 -2.944 -0.048) 3.014 13.824 ( -0.396 5.836 -2.156) 6.234 13.971 ( -0.421 -2.890 -0.309) 2.937 14.051 ( 2.211 -3.680 2.585) 5.011 14.181 ( -2.210 1.193 0.062) 2.512 17.419 ( -7.740 -3.706 0.297) 8.587 17.542 ( -8.183 -3.291 -0.981) 8.874 18.504 ( 4.676 4.339 -0.656) 6.412 18.706 ( 5.474 2.559 -0.056) 6.043 19.443 ( 0.223 -0.597 1.192) 1.351 19.598 ( -0.012 -0.041 -0.060) 0.074 20.106 ( 0.072 1.153 -2.162) 2.451 20.125 ( -0.196 -1.119 1.397) 1.801 20.406 ( 3.194 -1.752 1.936) 4.126 21.406 ( -0.376 -0.213 0.060) 0.436 22.525 ( 0.205 0.222 -0.068) 0.310 22.554 ( 0.226 0.170 -0.057) 0.289 28.504 ( 1.052 -2.496 1.199) 2.962 28.544 ( 3.232 4.549 -1.232) 5.714 28.746 ( 2.941 0.285 -0.525) 3.001 28.823 ( 1.417 -1.221 0.764) 2.020 33.415 ( -0.122 0.064 -0.082) 0.160 33.425 ( -0.095 -0.102 0.076) 0.159 36.265 ( -3.286 1.874 -4.003) 5.508 36.577 ( 0.738 1.660 1.654) 2.457 37.246 ( 8.429 -3.790 4.791) 10.410 37.745 ( -8.305 1.269 -2.814) 8.860 41.718 ( -1.156 3.105 1.291) 3.556 41.788 ( 1.310 -4.424 -0.577) 4.650 42.379 ( 6.384 1.878 0.766) 6.698 43.805 ( -15.399 9.764 -8.408) 20.079 44.388 ( 0.786 -3.940 2.469) 4.716 45.183 ( -2.978 0.190 -3.015) 4.242 ======================= Grid point 150 (83/125) ======================= q-point: ( 0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 16.039 -0.022 5.553) 16.973 1.489 ( 12.236 -6.909 -5.375) 15.045 1.994 ( -1.922 -5.699 -3.413) 6.916 2.143 ( -5.387 3.213 1.296) 6.406 2.250 ( -5.259 5.626 2.376) 8.060 2.497 ( -6.950 -9.695 -1.417) 12.013 2.616 ( 2.370 5.061 4.561) 7.214 3.007 ( -10.926 9.460 -2.582) 14.681 3.221 ( 15.002 -4.205 1.465) 15.649 3.402 ( -4.100 7.270 -3.203) 8.940 3.571 ( -6.760 -1.644 3.234) 7.672 3.735 ( 6.264 -1.891 0.130) 6.544 3.933 ( 0.991 -5.218 -4.519) 6.974 4.063 ( 3.364 3.243 1.947) 5.062 4.338 ( 1.990 -0.291 1.196) 2.340 4.633 ( -0.383 -17.800 -0.913) 17.828 4.893 ( 8.655 -1.516 3.613) 9.501 5.070 ( -18.517 19.707 -2.816) 27.188 5.876 ( -3.187 3.972 -0.561) 5.123 6.021 ( -0.647 -1.258 0.818) 1.634 6.398 ( 8.039 0.357 -0.165) 8.049 6.953 ( 4.810 -7.332 -0.639) 8.792 7.061 ( -0.962 2.159 0.676) 2.458 7.765 ( 6.118 2.540 -1.870) 6.883 7.818 ( -13.673 -3.210 1.938) 14.178 8.192 ( 5.989 1.046 -0.152) 6.082 8.979 ( -0.173 -0.591 -0.002) 0.616 11.569 ( -0.540 -0.974 -0.011) 1.114 11.830 ( -0.858 0.701 -0.258) 1.137 11.939 ( -1.764 3.768 0.423) 4.183 12.095 ( 1.687 -1.966 -0.149) 2.595 13.842 ( -4.462 4.730 -0.150) 6.504 13.952 ( 4.024 -3.370 0.376) 5.262 14.070 ( 1.023 -2.725 -0.287) 2.925 14.164 ( -0.261 1.043 0.055) 1.077 17.341 ( 0.549 -0.205 -0.000) 0.586 17.449 ( -1.361 1.235 -0.003) 1.838 18.569 ( 0.188 1.562 0.008) 1.574 18.747 ( -1.408 -1.096 -0.021) 1.785 19.459 ( 1.866 -0.477 0.230) 1.940 19.590 ( -0.798 -0.057 -0.261) 0.841 20.086 ( -1.466 -0.682 0.334) 1.651 20.140 ( 1.192 0.685 -0.305) 1.408 20.441 ( 2.498 -1.914 0.022) 3.147 21.402 ( 0.100 -0.192 -0.001) 0.217 22.528 ( -0.119 0.120 0.000) 0.169 22.556 ( -0.055 0.033 -0.000) 0.064 28.474 ( -2.178 -1.391 -0.007) 2.584 28.633 ( 3.236 2.456 0.023) 4.062 28.777 ( 0.238 0.625 -0.043) 0.670 28.810 ( -1.067 -2.022 0.027) 2.286 33.414 ( -0.059 0.106 0.000) 0.121 33.424 ( 0.051 -0.092 -0.000) 0.105 36.224 ( -3.271 2.964 0.100) 4.416 36.610 ( 0.897 1.330 -0.245) 1.623 37.331 ( 6.924 -9.697 0.351) 11.921 37.644 ( -5.924 5.948 -0.203) 8.398 41.726 ( -2.422 2.633 -0.067) 3.578 41.760 ( 1.694 -4.770 0.088) 5.063 42.474 ( 2.940 0.693 -0.091) 3.022 43.652 ( -12.442 11.935 -0.029) 17.241 44.401 ( 3.576 -3.573 0.682) 5.101 45.126 ( -3.192 0.871 -0.636) 3.369 ======================= Grid point 151 (84/125) ======================= q-point: (-0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 8.648 -9.117 0.693) 12.585 1.403 ( 5.354 -14.780 -17.246) 23.335 2.001 ( -0.312 6.521 5.635) 8.624 2.113 ( -7.780 6.779 -0.006) 10.319 2.253 ( -1.459 -3.689 4.897) 6.302 2.412 ( 6.956 3.723 0.586) 7.911 2.766 ( 4.433 7.249 0.361) 8.504 2.964 ( -0.093 7.139 -2.744) 7.649 3.259 ( 1.817 -3.801 -0.745) 4.278 3.445 ( -7.811 -4.776 7.453) 11.806 3.557 ( 6.764 2.367 5.989) 9.339 3.829 ( 4.123 1.701 -2.127) 4.941 3.935 ( 5.475 -0.648 -5.546) 7.820 4.153 ( 1.148 5.932 -1.461) 6.217 4.327 ( -4.191 -9.391 -4.848) 11.369 4.393 ( 0.173 -5.650 -0.043) 5.653 4.873 ( -12.214 14.242 -3.571) 19.099 5.226 ( 10.777 10.404 7.536) 16.768 5.847 ( -4.842 1.082 3.623) 6.143 5.956 ( -5.279 -6.447 3.917) 9.207 6.528 ( 8.505 1.374 -6.806) 10.979 6.915 ( 4.102 -8.925 -1.416) 9.924 7.101 ( -1.389 5.590 -0.358) 5.771 7.610 ( -10.849 -2.682 1.926) 11.341 7.863 ( 6.764 -1.344 -1.244) 7.008 8.301 ( 4.402 6.084 -0.580) 7.532 8.968 ( -0.468 -0.533 -0.098) 0.716 11.546 ( -1.258 -0.061 -0.089) 1.262 11.839 ( 0.071 0.093 2.133) 2.136 11.932 ( -2.412 2.263 -0.461) 3.340 12.111 ( 2.469 -1.654 -0.283) 2.985 13.780 ( -6.072 1.429 1.686) 6.462 14.016 ( 2.526 -2.336 -1.991) 3.975 14.047 ( 2.443 0.869 0.173) 2.598 14.186 ( 1.382 0.355 0.112) 1.431 17.431 ( 8.213 4.034 -0.380) 9.158 17.524 ( 5.715 6.181 1.151) 8.496 18.538 ( -4.199 -1.552 0.919) 4.570 18.644 ( -8.219 -4.161 -0.132) 9.213 19.492 ( 2.995 -0.211 -1.285) 3.266 19.571 ( -1.430 0.202 -0.279) 1.470 20.062 ( -1.585 -0.568 1.759) 2.435 20.160 ( 0.989 0.575 -0.760) 1.374 20.449 ( 1.664 -1.830 -2.456) 3.485 21.406 ( 0.415 0.249 -0.098) 0.494 22.524 ( -0.390 -0.058 0.068) 0.400 22.553 ( -0.312 -0.155 0.074) 0.356 28.420 ( -2.709 -1.781 0.133) 3.245 28.674 ( 1.258 -1.339 -0.184) 1.846 28.729 ( -4.893 -1.032 0.340) 5.012 28.795 ( 1.045 -2.757 -0.531) 2.996 33.415 ( -0.023 0.167 0.070) 0.183 33.425 ( 0.164 -0.012 -0.060) 0.175 36.215 ( -3.128 3.447 3.567) 5.864 36.622 ( 0.483 0.502 -1.993) 2.111 37.290 ( 2.122 -9.131 -4.746) 10.507 37.678 ( 0.260 5.976 4.352) 7.397 41.691 ( -2.658 1.380 -0.969) 3.147 41.766 ( 2.378 -3.400 1.176) 4.313 42.460 ( -1.780 -3.719 -2.748) 4.954 43.648 ( -7.465 13.260 11.108) 18.840 44.432 ( 4.260 -2.763 -1.879) 5.414 45.103 ( -1.945 1.715 2.910) 3.898 ======================= Grid point 152 (85/125) ======================= q-point: (-0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 1.171 -11.711 -15.032) 19.091 1.207 ( -0.474 -25.742 -6.022) 26.441 2.002 ( -9.838 6.629 0.926) 11.899 2.192 ( 4.059 16.284 5.840) 17.770 2.288 ( 3.310 -1.613 2.390) 4.389 2.602 ( 4.904 3.854 3.201) 7.010 2.847 ( 1.886 6.443 -3.797) 7.713 3.093 ( 8.671 4.612 1.377) 9.917 3.279 ( -0.124 1.176 1.017) 1.559 3.343 ( -4.164 -5.108 9.974) 11.954 3.685 ( 7.827 -3.632 3.331) 9.250 3.839 ( -2.695 2.713 -2.961) 4.836 3.980 ( 4.906 -0.485 -4.642) 6.772 4.035 ( -5.982 -6.690 -3.495) 9.631 4.251 ( -1.924 4.476 -9.836) 10.976 4.397 ( -0.259 1.691 -0.447) 1.769 4.982 ( 3.741 25.227 0.692) 25.512 5.484 ( 3.314 6.947 8.429) 11.415 5.779 ( -6.388 -6.186 6.394) 10.952 5.868 ( -0.912 1.615 3.677) 4.119 6.543 ( 1.112 -4.329 -7.670) 8.877 6.921 ( 0.411 1.690 -3.102) 3.556 7.126 ( 4.328 -0.150 -1.001) 4.445 7.450 ( -8.427 -3.841 2.333) 9.550 7.914 ( 5.118 -6.137 -2.725) 8.443 8.433 ( 1.705 12.148 0.573) 12.281 8.956 ( -0.251 0.729 -1.468) 1.658 11.547 ( 0.576 1.730 0.689) 1.949 11.839 ( -1.635 -0.800 2.518) 3.107 11.904 ( -1.666 -0.329 -1.097) 2.022 12.130 ( 1.749 -2.030 0.464) 2.719 13.734 ( -2.802 2.779 1.616) 4.265 13.981 ( -0.748 -0.889 -1.898) 2.225 14.138 ( 3.816 1.741 1.365) 4.411 14.206 ( 1.111 0.053 -0.708) 1.318 17.617 ( 8.498 6.416 -0.986) 10.693 17.712 ( 7.236 7.151 1.804) 10.333 18.444 ( -6.440 -2.913 2.325) 7.441 18.455 ( -7.681 -4.510 -0.776) 8.940 19.518 ( 1.501 0.506 -3.957) 4.262 19.557 ( -0.292 0.150 1.351) 1.390 20.053 ( -0.902 0.096 2.525) 2.683 20.168 ( 0.266 0.074 -0.935) 0.975 20.429 ( 0.810 -1.428 -5.067) 5.327 21.417 ( 0.394 0.855 -0.217) 0.966 22.518 ( -0.298 -0.130 0.106) 0.342 22.547 ( -0.273 -0.260 0.140) 0.402 28.369 ( -0.988 -2.842 0.139) 3.012 28.630 ( -4.657 -2.756 0.857) 5.478 28.659 ( -0.187 -4.845 -0.807) 4.915 28.767 ( 0.501 -5.232 -0.509) 5.280 33.417 ( -0.035 0.216 0.110) 0.245 33.428 ( 0.171 0.085 -0.096) 0.214 36.230 ( -2.843 3.145 6.144) 7.465 36.610 ( -0.066 -0.243 -2.881) 2.892 37.213 ( 1.918 -5.814 -7.441) 9.636 37.777 ( 1.459 4.148 6.827) 8.121 41.675 ( -0.692 2.373 -0.852) 2.614 41.777 ( 2.003 -3.738 1.385) 4.461 42.341 ( -3.542 -7.452 -3.568) 8.989 43.771 ( -4.360 11.464 19.651) 23.165 44.455 ( 2.931 -1.458 -2.695) 4.240 45.130 ( -0.243 1.559 5.586) 5.805 ======================= Grid point 153 (86/125) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -4.077 -17.209 -10.001) 20.318 0.927 ( 2.154 -18.859 -11.791) 22.345 1.999 ( 1.463 0.012 6.197) 6.367 2.252 ( -1.982 -4.471 -0.514) 4.918 2.417 ( -0.426 13.582 2.854) 13.885 2.623 ( -3.937 5.806 0.428) 7.028 2.959 ( 2.781 8.783 -4.354) 10.190 3.216 ( 2.125 -2.125 8.024) 8.569 3.324 ( -1.220 8.537 8.557) 12.148 3.378 ( 4.708 -1.297 0.902) 4.966 3.682 ( -3.688 -1.839 -4.492) 6.096 3.877 ( -2.711 -0.129 -7.948) 8.399 3.910 ( 7.385 -0.219 3.312) 8.097 4.031 ( 3.853 -0.824 -2.615) 4.729 4.161 ( -3.922 1.893 -8.393) 9.455 4.417 ( -2.009 4.022 -0.844) 4.575 5.224 ( -4.623 15.976 3.539) 17.004 5.566 ( -3.144 8.398 5.895) 10.731 5.755 ( 5.528 0.935 4.455) 7.161 5.984 ( 4.569 5.431 5.957) 9.266 6.431 ( -3.919 -4.487 -5.067) 7.821 6.878 ( -3.623 3.009 -5.884) 7.536 7.230 ( 4.251 -4.185 1.079) 6.063 7.318 ( -1.108 -1.201 1.897) 2.503 7.862 ( 0.191 -9.237 -5.190) 10.597 8.555 ( -2.896 12.044 4.744) 13.264 8.967 ( 1.884 4.974 -6.146) 8.128 11.601 ( 2.091 3.220 1.205) 4.024 11.823 ( -0.809 -0.474 1.710) 1.950 11.862 ( -0.439 -2.824 -1.178) 3.091 12.126 ( -0.886 -2.278 1.739) 3.000 13.774 ( 2.163 5.207 1.316) 5.790 13.964 ( -0.775 1.325 -0.191) 1.546 14.176 ( -1.961 -0.735 0.404) 2.133 14.213 ( 0.569 1.083 -0.871) 1.502 17.735 ( -0.139 3.493 -1.015) 3.641 17.820 ( -0.483 2.922 1.093) 3.157 18.344 ( -2.441 1.951 0.740) 3.211 18.413 ( 3.252 -2.363 1.575) 4.318 19.504 ( -0.999 1.585 -3.032) 3.564 19.574 ( 1.200 -0.240 0.292) 1.258 20.068 ( 0.265 0.727 2.489) 2.607 20.158 ( -0.566 -0.382 -0.965) 1.182 20.386 ( 0.064 -1.064 -7.168) 7.247 21.429 ( 0.036 1.242 -0.287) 1.275 22.515 ( 0.016 -0.107 0.105) 0.151 22.543 ( -0.004 -0.312 0.165) 0.352 28.348 ( 2.210 -3.831 -0.212) 4.427 28.533 ( -4.060 -4.300 0.461) 5.932 28.606 ( 1.092 -7.113 0.280) 7.202 28.717 ( 0.958 -7.263 -0.702) 7.359 33.419 ( -0.064 0.250 0.136) 0.291 33.430 ( 0.065 0.138 -0.123) 0.197 36.266 ( -1.249 2.670 7.886) 8.419 36.584 ( -0.282 -0.542 -2.810) 2.876 37.143 ( 1.307 -4.863 -9.071) 10.375 37.878 ( 0.771 4.281 7.751) 8.888 41.704 ( 2.261 3.165 -1.617) 4.212 41.771 ( -0.029 -3.712 1.505) 4.006 42.198 ( -1.855 -9.556 -2.317) 10.006 43.955 ( -1.408 8.994 23.880) 25.556 44.461 ( 0.127 -0.351 -0.670) 0.767 45.181 ( 0.447 0.542 6.282) 6.321 ======================= Grid point 154 (87/125) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 5.268 -15.448 -10.560) 19.440 0.782 ( 4.970 -8.597 -9.481) 13.729 1.941 ( 6.364 -26.941 -0.581) 27.688 2.347 ( 0.129 16.554 6.811) 17.901 2.472 ( -2.420 8.426 2.997) 9.265 2.648 ( -1.145 7.452 -0.649) 7.568 3.001 ( -4.459 10.771 -1.768) 11.791 3.240 ( -9.457 2.738 -1.506) 9.960 3.358 ( 0.066 0.271 5.819) 5.826 3.484 ( 4.099 5.391 3.381) 7.569 3.607 ( -3.891 0.231 -4.057) 5.626 3.812 ( 1.729 1.661 -2.798) 3.685 3.966 ( -0.269 -2.707 -1.646) 3.180 4.026 ( -5.946 1.333 -3.511) 7.033 4.163 ( 11.266 -2.730 -1.162) 11.650 4.333 ( -11.651 -0.858 1.347) 11.760 5.255 ( -7.662 13.638 7.428) 17.317 5.644 ( 2.675 6.413 -2.539) 7.397 5.926 ( 6.281 2.308 -0.008) 6.691 6.111 ( 1.210 1.064 5.758) 5.979 6.321 ( -5.188 4.201 -1.073) 6.761 6.830 ( -1.556 1.381 -2.011) 2.893 7.125 ( -4.565 -4.481 1.913) 6.677 7.476 ( 10.121 2.839 1.296) 10.591 7.705 ( -3.356 -10.507 -6.305) 12.704 8.611 ( -7.318 9.557 8.222) 14.577 9.018 ( 3.326 7.732 -11.420) 14.187 11.641 ( -1.977 2.990 0.418) 3.609 11.827 ( 1.443 -2.592 0.666) 3.040 11.867 ( 4.310 -0.659 -0.970) 4.466 12.091 ( -2.542 -1.258 3.110) 4.209 13.886 ( 1.401 5.825 2.164) 6.370 13.988 ( 2.632 3.160 0.502) 4.143 14.066 ( -8.035 -2.302 -1.415) 8.477 14.227 ( 0.115 0.693 -0.698) 0.990 17.695 ( -3.944 1.324 0.116) 4.162 17.823 ( -1.161 1.648 0.284) 2.036 18.377 ( 0.910 3.415 0.559) 3.578 18.475 ( 3.017 -1.396 0.960) 3.460 19.484 ( -1.643 1.981 -1.727) 3.099 19.588 ( 0.871 -0.190 -0.459) 1.003 20.101 ( 1.073 0.837 1.826) 2.278 20.135 ( -1.061 -0.467 -0.537) 1.278 20.326 ( 0.038 -1.611 -7.304) 7.479 21.435 ( -0.454 1.257 -0.234) 1.357 22.516 ( 0.138 -0.134 0.065) 0.203 22.542 ( 0.193 -0.358 0.134) 0.428 28.352 ( 2.943 -5.183 -1.612) 6.175 28.456 ( 0.260 -4.607 1.795) 4.951 28.581 ( 2.987 -6.636 0.826) 7.324 28.668 ( 2.401 -7.600 -1.022) 8.036 33.421 ( -0.064 0.268 0.150) 0.314 33.430 ( -0.102 0.128 -0.136) 0.213 36.345 ( 1.367 3.347 7.855) 8.648 36.563 ( 0.423 -0.382 -2.017) 2.096 37.036 ( -1.606 -6.685 -7.664) 10.296 37.967 ( -0.881 5.491 5.631) 7.914 41.724 ( -2.514 -3.673 1.285) 4.633 41.768 ( 3.201 3.383 -2.942) 5.509 42.107 ( 2.835 -9.644 -0.035) 10.052 44.190 ( 1.899 9.801 20.923) 23.183 44.434 ( -4.241 0.232 1.861) 4.637 45.227 ( 0.363 -0.172 5.503) 5.517 ======================= Grid point 184 (88/125) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 0.000 -0.000 17.350) 17.350 0.668 ( 0.000 -0.000 17.350) 17.350 1.353 ( 0.000 -0.000 32.645) 32.645 2.511 ( -0.000 0.000 -15.580) 15.580 2.511 ( -0.000 0.000 -15.580) 15.580 2.754 ( -0.000 0.000 -0.524) 0.524 3.242 ( -0.000 0.000 -3.581) 3.581 3.242 ( -0.000 0.000 -3.581) 3.581 3.499 ( -0.000 0.000 -0.981) 0.981 3.499 ( 0.000 0.000 -0.981) 0.981 3.807 ( -0.000 0.000 -1.333) 1.333 4.028 ( 0.000 -0.000 2.600) 2.600 4.028 ( 0.000 -0.000 2.600) 2.600 4.072 ( -0.000 0.000 -0.557) 0.557 4.325 ( 0.000 0.000 1.781) 1.781 4.325 ( 0.000 -0.000 1.781) 1.781 5.407 ( -0.000 0.000 -6.016) 6.016 5.704 ( 0.000 -0.000 5.003) 5.003 5.704 ( 0.000 -0.000 5.003) 5.003 5.866 ( -0.000 0.000 -0.952) 0.952 6.670 ( -0.000 0.000 -8.904) 8.904 6.670 ( -0.000 0.000 -8.904) 8.904 6.688 ( -0.000 0.000 -2.611) 2.611 7.474 ( 0.000 -0.000 5.318) 5.318 7.474 ( 0.000 -0.000 5.318) 5.318 9.099 ( -0.000 0.000 -1.386) 1.386 10.413 ( 0.000 -0.000 0.213) 0.213 11.684 ( 0.000 -0.000 0.849) 0.849 11.684 ( 0.000 -0.000 0.849) 0.849 11.803 ( -0.000 0.000 -0.554) 0.554 11.803 ( -0.000 0.000 -0.554) 0.554 14.060 ( 0.000 0.000 0.437) 0.437 14.060 ( 0.000 -0.000 0.437) 0.437 14.185 ( -0.000 0.000 -0.609) 0.609 14.185 ( -0.000 0.000 -0.609) 0.609 17.375 ( -0.000 0.000 -1.773) 1.773 17.562 ( 0.000 -0.000 1.355) 1.355 18.682 ( 0.000 -0.000 1.049) 1.049 18.802 ( -0.000 0.000 -0.616) 0.616 19.563 ( -0.000 0.000 -0.192) 0.192 19.563 ( -0.000 0.000 -0.192) 0.192 20.137 ( 0.000 -0.000 0.430) 0.430 20.137 ( 0.000 -0.000 0.430) 0.430 21.268 ( -0.000 0.000 -5.320) 5.320 21.695 ( 0.000 -0.000 3.827) 3.827 22.520 ( -0.000 0.000 -0.035) 0.035 22.530 ( -0.000 0.000 -0.086) 0.086 28.176 ( 0.000 -0.000 0.653) 0.653 28.176 ( 0.000 -0.000 0.653) 0.653 28.366 ( -0.000 0.000 -0.559) 0.559 28.366 ( -0.000 0.000 -0.559) 0.559 33.424 ( -0.000 0.000 -0.143) 0.143 33.439 ( 0.000 -0.000 0.121) 0.121 36.290 ( -0.000 0.000 -6.821) 6.821 36.290 ( -0.000 0.000 -6.821) 6.821 37.052 ( 0.000 -0.000 7.856) 7.856 37.052 ( 0.000 -0.000 7.856) 7.856 41.586 ( -0.000 0.000 -2.262) 2.262 41.586 ( -0.000 0.000 -2.262) 2.262 41.903 ( 0.000 -0.000 2.995) 2.995 41.903 ( 0.000 -0.000 2.995) 2.995 44.575 ( 0.000 -0.000 5.559) 5.559 45.192 ( -0.000 0.000 -1.604) 1.604 ======================= Grid point 185 (89/125) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 13.870 8.557 10.911) 19.612 0.988 ( 9.120 3.164 14.512) 17.429 1.559 ( 0.291 -0.291 27.702) 27.705 2.286 ( -6.449 -0.291 -16.608) 17.818 2.491 ( 2.097 -0.704 -13.134) 13.319 2.737 ( -0.798 -0.016 -0.645) 1.026 3.114 ( -6.201 -4.941 -2.651) 8.360 3.254 ( -0.676 -3.277 -1.407) 3.630 3.434 ( -2.576 2.573 -2.503) 4.419 3.557 ( 3.527 -2.623 -2.966) 5.302 3.742 ( -4.269 -4.960 1.171) 6.648 3.850 ( -1.989 -7.561 3.464) 8.551 4.035 ( -8.402 8.878 3.056) 12.600 4.201 ( 0.017 1.953 -3.507) 4.014 4.297 ( -2.788 -0.062 1.170) 3.024 4.380 ( 3.748 -0.343 3.379) 5.058 5.349 ( -2.930 -0.121 -5.245) 6.009 5.649 ( -1.139 -2.809 -0.701) 3.111 5.863 ( 5.540 4.205 4.452) 8.258 5.888 ( 3.466 -0.162 -0.310) 3.484 6.434 ( -5.655 -11.104 -3.677) 12.992 6.625 ( -4.698 9.940 -7.740) 13.445 6.866 ( 13.038 3.695 -7.149) 15.321 7.537 ( 2.315 -1.229 4.255) 4.997 7.588 ( 5.620 6.239 4.383) 9.472 8.951 ( -12.517 -7.136 -0.777) 14.430 10.155 ( -19.589 -12.654 7.591) 24.525 11.695 ( 0.129 -0.740 -0.539) 0.925 11.757 ( 3.072 0.119 -1.085) 3.260 11.807 ( 1.882 3.511 -1.690) 4.327 11.819 ( 2.187 1.783 -0.203) 2.830 13.995 ( -4.205 -4.683 0.044) 6.294 14.076 ( -0.595 2.033 0.563) 2.192 14.140 ( -4.600 1.044 -0.628) 4.759 14.182 ( 1.165 -3.340 -0.336) 3.553 17.459 ( 8.264 4.974 -1.520) 9.765 17.650 ( 7.079 4.083 1.178) 8.257 18.598 ( -7.908 -4.605 0.995) 9.205 18.705 ( -8.410 -4.850 -0.742) 9.736 19.550 ( -1.012 0.125 -0.108) 1.025 19.576 ( 1.076 -0.101 -0.265) 1.112 20.123 ( -0.347 -1.445 0.447) 1.551 20.150 ( -0.130 1.091 0.368) 1.159 21.058 ( -15.619 -8.996 2.300) 18.171 21.604 ( -6.649 -3.827 5.723) 9.571 22.516 ( -0.239 -0.140 -0.104) 0.296 22.529 ( 0.024 0.026 -0.077) 0.085 28.196 ( 3.399 -0.821 0.599) 3.547 28.272 ( 5.327 5.910 -0.459) 7.970 28.391 ( 2.537 3.788 -0.323) 4.570 28.430 ( 6.598 1.428 -0.436) 6.765 33.423 ( -0.081 -0.031 -0.118) 0.146 33.438 ( -0.139 -0.098 0.092) 0.193 36.299 ( -0.291 6.930 -7.114) 9.936 36.327 ( 7.549 -0.811 -7.013) 10.336 37.055 ( -0.436 -3.359 8.168) 8.843 37.376 ( 19.080 11.495 -3.907) 22.615 41.563 ( 0.057 -0.120 -1.743) 1.748 41.757 ( 8.718 3.375 -4.586) 10.413 41.950 ( 2.781 0.407 1.654) 3.261 42.187 ( 28.806 20.298 -10.147) 36.671 44.593 ( -1.914 -1.017 5.905) 6.291 45.171 ( -0.634 -0.549 -1.818) 2.002 ======================= Grid point 186 (90/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 12.239 -13.347 6.454) 19.225 1.279 ( 13.260 20.735 9.774) 26.482 1.683 ( 0.243 -2.126 16.079) 16.221 2.146 ( -2.233 6.941 -14.286) 16.039 2.366 ( -6.969 -3.763 -9.497) 12.365 2.760 ( 2.538 0.858 1.289) 2.972 2.955 ( -7.716 -2.902 0.564) 8.263 3.136 ( -6.385 -6.390 -3.180) 9.576 3.351 ( -6.682 -3.595 -1.795) 7.797 3.540 ( 5.256 -10.729 -0.845) 11.977 3.680 ( -3.221 -0.767 1.009) 3.461 3.815 ( -0.111 -0.805 3.619) 3.709 3.987 ( -5.829 4.154 2.568) 7.604 4.142 ( -5.462 0.777 -0.262) 5.523 4.246 ( -4.570 0.788 0.790) 4.704 4.475 ( 4.022 2.322 1.734) 4.957 5.232 ( -9.001 0.455 -4.379) 10.020 5.587 ( -0.573 -3.490 -5.649) 6.665 5.918 ( -0.058 -1.146 -5.127) 5.254 5.975 ( 7.974 -5.676 1.685) 9.932 6.303 ( -3.734 1.027 3.915) 5.507 6.606 ( -1.426 5.702 -5.495) 8.046 7.078 ( 14.409 4.995 -6.761) 16.682 7.573 ( 0.332 0.112 2.725) 2.747 7.721 ( 0.916 2.549 6.272) 6.832 8.645 ( -15.379 -7.957 -0.192) 17.316 9.791 ( -18.159 -12.911 7.505) 23.511 11.645 ( -2.584 -2.252 -1.622) 3.792 11.786 ( 2.109 -0.330 0.246) 2.149 11.860 ( 1.549 4.323 -3.217) 5.607 11.910 ( 5.876 2.863 0.143) 6.538 13.875 ( -4.950 -4.125 -0.653) 6.476 14.053 ( -4.948 1.410 -0.824) 5.210 14.100 ( -0.161 0.025 1.108) 1.120 14.169 ( 0.997 -2.820 -0.048) 2.991 17.640 ( 7.500 5.175 -0.824) 9.149 17.817 ( 6.809 3.747 0.815) 7.815 18.426 ( -6.873 -4.319 0.158) 8.120 18.487 ( -10.541 -6.123 -0.895) 12.223 19.528 ( -2.001 -0.082 0.516) 2.068 19.590 ( 1.181 -0.350 -0.629) 1.383 20.107 ( -0.015 -2.070 0.496) 2.129 20.158 ( -0.645 1.482 0.164) 1.624 20.783 ( -12.644 -7.241 6.229) 15.846 21.523 ( -4.353 -2.523 3.244) 5.986 22.512 ( -0.068 -0.013 -0.198) 0.210 22.532 ( 0.310 0.185 -0.087) 0.371 28.264 ( 5.050 -0.143 0.533) 5.080 28.404 ( 4.380 7.113 -1.207) 8.440 28.496 ( 6.063 3.645 0.447) 7.089 28.574 ( 8.517 3.239 -0.007) 9.112 33.420 ( -0.126 -0.026 -0.104) 0.165 33.434 ( -0.235 -0.177 0.067) 0.302 36.305 ( 1.451 3.046 -7.771) 8.472 36.388 ( 3.537 2.831 -3.134) 5.508 37.080 ( 0.604 -3.270 8.749) 9.360 37.645 ( 10.397 5.492 -7.337) 13.860 41.561 ( 0.766 0.178 -1.157) 1.399 41.858 ( 5.220 -1.746 1.225) 5.639 42.034 ( 5.018 5.852 -1.623) 7.877 42.762 ( 30.197 20.705 -21.927) 42.677 44.571 ( -3.830 -1.920 5.798) 7.209 45.150 ( 0.263 -0.467 -1.853) 1.929 ======================= Grid point 187 (91/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.800 -10.156 6.191) 11.921 1.548 ( -6.880 -2.699 18.926) 20.318 1.883 ( 13.179 8.154 -2.336) 15.672 2.142 ( 2.232 7.347 -9.997) 12.605 2.175 ( 0.415 1.845 -7.949) 8.170 2.702 ( -8.476 -6.849 3.048) 11.315 2.851 ( -5.657 -3.358 -6.901) 9.534 3.018 ( -0.347 1.837 -0.505) 1.937 3.212 ( -7.477 1.899 5.257) 9.335 3.485 ( 0.712 -10.919 -0.135) 10.943 3.618 ( -3.812 -0.246 -0.751) 3.893 3.901 ( 7.251 -1.725 2.663) 7.915 3.969 ( -1.609 0.630 4.018) 4.374 4.113 ( 0.077 4.868 1.439) 5.077 4.185 ( -4.770 0.835 0.905) 4.927 4.514 ( -0.058 -2.826 -0.704) 2.913 4.994 ( -17.725 -4.562 -1.578) 18.371 5.524 ( 3.719 -2.788 -10.612) 11.585 5.826 ( 1.034 -6.412 -5.868) 8.754 6.031 ( 1.302 0.377 -2.403) 2.758 6.346 ( -4.335 8.605 9.388) 13.453 6.613 ( 1.745 -0.374 0.361) 1.821 7.283 ( 10.561 3.474 -5.495) 12.401 7.584 ( 0.739 -2.959 0.525) 3.094 7.768 ( -0.473 2.918 6.920) 7.525 8.377 ( -11.565 -4.481 0.010) 12.402 9.462 ( -14.684 -10.339 2.697) 18.160 11.586 ( -1.149 -1.646 -1.304) 2.394 11.811 ( 0.449 0.685 0.183) 0.839 11.895 ( 1.615 3.119 -3.469) 4.937 12.031 ( 5.690 2.056 1.189) 6.166 13.777 ( -3.320 -1.652 -1.495) 3.998 14.003 ( -2.093 0.702 0.706) 2.317 14.095 ( -0.421 -1.269 -0.182) 1.349 14.169 ( 0.855 -0.778 0.866) 1.445 17.694 ( -2.897 -1.018 0.331) 3.088 17.868 ( -2.921 -0.816 -0.317) 3.049 18.339 ( -2.228 -0.237 -0.868) 2.402 18.385 ( 4.082 -0.041 -0.692) 4.141 19.496 ( -2.506 -0.342 1.401) 2.891 19.597 ( 0.891 -0.515 -1.070) 1.485 20.093 ( 0.194 -1.733 0.213) 1.757 20.160 ( -0.737 1.262 0.099) 1.464 20.607 ( -8.249 -4.712 4.687) 10.593 21.461 ( -2.915 -1.713 1.327) 3.632 22.513 ( 0.218 0.160 -0.222) 0.350 22.539 ( 0.395 0.233 -0.070) 0.464 28.343 ( 4.616 -0.258 0.346) 4.637 28.513 ( 2.436 6.858 -1.131) 7.365 28.626 ( 6.218 2.100 0.502) 6.582 28.724 ( 6.431 2.655 0.510) 6.977 33.417 ( -0.112 -0.013 -0.107) 0.156 33.429 ( -0.212 -0.160 0.080) 0.277 36.300 ( 1.905 1.443 -8.345) 8.681 36.452 ( 1.957 3.583 0.509) 4.114 37.121 ( 0.823 -3.431 9.374) 10.016 37.741 ( 4.070 2.534 -5.802) 7.526 41.575 ( 1.329 0.321 -0.489) 1.452 41.901 ( 1.493 -2.950 2.849) 4.364 42.182 ( 6.928 6.968 -2.146) 10.058 43.196 ( 22.581 15.603 -19.475) 33.655 44.520 ( -4.566 -2.259 5.264) 7.326 45.152 ( 1.816 0.075 -2.092) 2.771 ======================= Grid point 188 (92/125) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -5.745 2.187 10.673) 12.317 1.379 ( -17.706 -9.116 13.746) 24.198 1.962 ( 3.024 2.551 -4.065) 5.673 2.164 ( 3.858 -0.913 -9.694) 10.474 2.359 ( 3.422 -1.417 0.149) 3.707 2.631 ( 8.755 2.310 1.232) 9.138 2.704 ( -2.821 4.893 -9.200) 10.795 2.958 ( -0.801 -8.782 3.832) 9.615 3.295 ( -0.871 8.506 3.600) 9.277 3.433 ( 1.808 2.726 -1.420) 3.566 3.566 ( -2.876 5.921 -3.414) 7.415 3.905 ( -3.382 -3.473 6.497) 8.106 4.020 ( -0.272 1.191 2.335) 2.635 4.124 ( -2.280 -4.826 3.044) 6.145 4.244 ( 8.899 -3.336 -2.378) 9.796 4.485 ( 2.578 -2.860 0.487) 3.881 4.608 ( -16.249 -8.629 0.582) 18.407 5.525 ( 5.436 1.828 -12.281) 13.554 5.810 ( 4.262 -1.357 -3.022) 5.398 5.973 ( -7.527 4.510 -5.466) 10.338 6.408 ( -4.101 5.724 10.403) 12.562 6.669 ( 3.871 -1.429 5.744) 7.073 7.359 ( 2.160 -2.195 -3.251) 4.478 7.521 ( -3.492 -4.315 -1.741) 5.818 7.928 ( 10.996 5.692 2.777) 12.689 8.200 ( -8.624 -1.864 2.685) 9.223 9.193 ( -10.536 -6.248 -1.957) 12.405 11.564 ( 0.667 -1.165 -0.954) 1.647 11.818 ( -0.422 1.431 -0.318) 1.526 11.917 ( 0.667 1.307 -2.259) 2.694 12.123 ( 3.017 0.963 1.175) 3.378 13.725 ( -1.053 -0.006 -2.040) 2.296 13.995 ( -0.848 -1.851 2.428) 3.169 14.087 ( 1.147 1.741 -1.107) 2.361 14.185 ( 0.577 0.029 1.199) 1.331 17.621 ( -2.686 -1.403 0.480) 3.068 17.777 ( -3.942 -1.135 -1.140) 4.258 18.355 ( 0.482 2.995 -0.465) 3.069 18.464 ( 5.111 -1.084 -0.987) 5.317 19.469 ( -1.923 -0.162 2.226) 2.946 19.594 ( 0.470 -0.666 -1.311) 1.543 20.084 ( 0.192 -0.780 -0.632) 1.022 20.159 ( -0.556 0.653 0.280) 0.902 20.488 ( -5.750 -3.342 3.024) 7.306 21.422 ( -1.217 -0.739 0.383) 1.474 22.516 ( 0.213 0.127 -0.192) 0.314 22.546 ( 0.231 0.141 -0.066) 0.279 28.395 ( 2.494 -1.209 0.206) 2.779 28.580 ( 0.059 4.872 -0.929) 4.960 28.711 ( 2.515 0.207 0.306) 2.542 28.812 ( 2.324 0.293 0.769) 2.465 33.415 ( -0.026 0.022 -0.118) 0.122 33.427 ( -0.070 -0.066 0.114) 0.149 36.287 ( 1.850 1.088 -8.513) 8.780 36.515 ( 1.049 2.758 2.605) 3.936 37.154 ( -0.299 -3.831 9.726) 10.458 37.778 ( 2.802 2.535 -4.540) 5.907 41.602 ( 1.913 0.331 0.240) 1.956 41.892 ( -1.157 -2.416 1.345) 2.998 42.306 ( 2.827 3.569 -0.104) 4.554 43.526 ( 18.268 12.420 -14.570) 26.462 44.470 ( -3.137 -1.661 4.453) 5.695 45.176 ( 2.727 0.563 -3.073) 4.147 ======================= Grid point 189 (93/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -11.266 -9.741 7.971) 16.892 1.145 ( -16.653 6.783 17.371) 25.002 1.931 ( 2.813 -2.220 -9.182) 9.856 2.223 ( 10.650 1.417 -4.897) 11.807 2.376 ( 1.267 -0.750 -0.184) 1.484 2.598 ( -7.131 5.074 -3.850) 9.561 2.809 ( 6.685 -3.477 4.213) 8.633 3.102 ( 13.025 8.239 2.317) 15.585 3.295 ( 0.837 -0.116 -6.611) 6.665 3.438 ( -2.257 0.112 -5.650) 6.085 3.659 ( 0.025 8.176 3.752) 8.996 3.870 ( -3.775 -1.578 8.356) 9.304 3.961 ( -0.812 -8.485 -1.058) 8.589 4.098 ( 1.352 -6.514 4.807) 8.208 4.180 ( -13.699 -7.601 3.712) 16.101 4.301 ( 3.959 6.720 -4.151) 8.835 4.846 ( 23.154 5.293 1.862) 23.825 5.535 ( -0.004 7.040 -11.190) 13.221 5.807 ( -3.961 1.176 -4.168) 5.870 5.918 ( 5.401 -0.444 -4.323) 6.933 6.447 ( -4.206 3.155 8.577) 10.060 6.769 ( 2.652 2.527 7.557) 8.398 7.300 ( 0.972 -10.004 -1.605) 10.178 7.413 ( -6.805 1.997 -3.434) 7.880 8.006 ( -5.617 -6.310 2.725) 8.876 8.278 ( 12.592 10.101 2.554) 16.343 9.004 ( -6.033 -2.738 -3.320) 7.410 11.569 ( 2.101 -1.161 -0.915) 2.569 11.824 ( -0.228 1.814 -0.916) 2.045 11.905 ( -1.537 -0.453 -0.665) 1.735 12.153 ( -0.171 0.047 0.282) 0.333 13.720 ( 2.070 0.366 -1.929) 2.854 13.968 ( -1.489 -1.370 1.456) 2.493 14.145 ( 3.102 2.373 -0.374) 3.923 14.198 ( -0.319 0.624 1.246) 1.429 17.635 ( 3.677 2.032 0.735) 4.265 17.758 ( 2.019 2.132 -1.461) 3.279 18.359 ( -2.512 1.919 -0.376) 3.184 18.477 ( 0.424 -4.221 -1.298) 4.436 19.468 ( -0.396 0.585 2.995) 3.077 19.585 ( 0.185 -0.823 -1.135) 1.414 20.076 ( 0.241 -0.061 -1.938) 1.954 20.158 ( -0.463 0.244 0.649) 0.833 20.408 ( -3.832 -2.308 3.466) 5.660 21.414 ( 0.206 0.079 0.101) 0.243 22.517 ( -0.011 -0.029 -0.145) 0.149 22.547 ( -0.059 -0.028 -0.101) 0.120 28.397 ( -0.241 -2.610 0.171) 2.627 28.587 ( -2.884 2.686 -0.762) 4.014 28.704 ( -2.311 -2.440 0.118) 3.363 28.808 ( -2.261 -2.303 0.800) 3.325 33.416 ( 0.102 0.110 -0.124) 0.195 33.427 ( 0.077 -0.005 0.128) 0.150 36.273 ( 1.734 1.623 -8.318) 8.650 36.562 ( 0.292 1.196 3.232) 3.458 37.162 ( -2.220 -3.737 9.597) 10.535 37.827 ( 4.115 2.758 -4.747) 6.861 41.644 ( 2.818 0.133 1.041) 3.007 41.843 ( -2.752 -2.045 -0.468) 3.460 42.313 ( -4.225 -0.692 1.735) 4.620 43.802 ( 15.151 10.297 -13.754) 22.907 44.455 ( -0.623 -0.568 3.018) 3.134 45.196 ( 2.177 0.487 -5.120) 5.585 ======================= Grid point 194 (94/125) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -0.496 -9.185 17.810) 20.045 1.179 ( -0.874 16.877 12.905) 21.264 1.721 ( -1.206 -2.905 20.035) 20.280 2.225 ( 5.538 -0.411 -10.511) 11.888 2.403 ( -3.312 4.387 -14.883) 15.865 2.721 ( 0.365 -2.186 -1.782) 2.844 3.169 ( 2.057 -1.065 -2.691) 3.550 3.203 ( -5.921 -2.397 -1.781) 6.631 3.423 ( 4.755 -7.540 0.141) 8.915 3.506 ( -4.608 0.427 -2.584) 5.300 3.714 ( -0.555 -8.609 1.616) 8.777 3.869 ( -4.391 -4.586 3.587) 7.292 4.035 ( 6.380 0.165 -0.613) 6.412 4.232 ( 3.835 0.637 0.264) 3.897 4.345 ( 1.562 3.355 -1.039) 3.844 4.388 ( -2.786 3.682 0.113) 4.619 5.310 ( 1.063 -3.812 -4.399) 5.917 5.682 ( 1.084 -3.307 4.322) 5.549 5.765 ( -2.475 -1.942 -0.575) 3.198 5.923 ( -1.285 1.013 -1.545) 2.250 6.439 ( -4.674 -2.982 0.338) 5.555 6.643 ( 11.752 6.489 -7.539) 15.396 6.781 ( -6.012 9.544 -8.320) 14.017 7.495 ( -0.363 -2.752 5.064) 5.775 7.680 ( 0.837 11.735 3.317) 12.224 8.948 ( 0.062 -13.611 -0.944) 13.644 10.166 ( -0.994 -24.835 5.954) 25.558 11.694 ( -0.345 -1.968 -0.537) 2.069 11.737 ( -0.891 2.633 -0.225) 2.789 11.797 ( 0.748 1.218 -0.872) 1.675 11.832 ( 0.847 5.250 -0.699) 5.364 14.007 ( -3.169 -5.934 0.241) 6.732 14.059 ( 3.194 -1.820 -0.316) 3.690 14.131 ( 1.647 -2.101 0.241) 2.680 14.201 ( -1.800 1.243 -0.650) 2.282 17.449 ( 0.147 9.721 -1.336) 9.813 17.658 ( -0.008 8.288 1.001) 8.348 18.605 ( -0.020 -9.385 1.155) 9.456 18.698 ( 0.007 -10.015 -0.883) 10.054 19.549 ( 0.465 -0.663 -0.050) 0.811 19.578 ( -0.462 1.164 -0.312) 1.290 20.120 ( -0.824 -1.771 0.525) 2.023 20.156 ( 0.749 0.801 0.262) 1.127 21.065 ( 0.011 -14.541 0.366) 14.546 21.638 ( 0.010 -7.707 4.998) 9.186 22.516 ( -0.004 -0.332 -0.107) 0.349 22.528 ( 0.011 -0.002 -0.053) 0.054 28.208 ( -2.863 2.963 0.278) 4.130 28.268 ( 2.773 7.786 0.081) 8.265 28.375 ( 1.626 2.800 -0.424) 3.266 28.434 ( -1.549 6.874 -0.309) 7.053 33.422 ( 0.012 -0.105 -0.093) 0.141 33.439 ( -0.013 -0.140 0.067) 0.156 36.169 ( 1.152 -2.364 -4.323) 5.060 36.374 ( 0.069 11.585 -7.612) 13.862 37.195 ( -5.218 3.830 5.075) 8.226 37.273 ( 3.488 13.762 -0.052) 14.197 41.584 ( -0.037 1.735 -2.177) 2.784 41.732 ( -1.412 14.435 -5.555) 15.532 41.921 ( -0.796 -0.124 2.521) 2.646 42.139 ( 2.738 22.416 -4.369) 23.002 44.634 ( 0.083 -1.652 6.121) 6.340 45.153 ( -0.161 -1.610 -2.210) 2.739 ======================= Grid point 195 (95/125) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 14.231 -4.822 10.970) 18.604 1.403 ( 2.934 16.697 9.043) 19.214 1.727 ( 0.331 -7.072 7.648) 10.422 2.242 ( -8.500 9.903 -7.312) 14.960 2.326 ( 2.118 -0.583 -7.119) 7.450 2.714 ( 3.430 -1.121 -0.972) 3.737 3.047 ( -7.997 -3.463 -0.221) 8.717 3.105 ( -3.895 -11.948 -1.005) 12.607 3.338 ( 2.072 -11.467 -1.535) 11.753 3.488 ( -4.091 5.446 0.863) 6.866 3.686 ( 1.620 -4.512 2.164) 5.260 3.806 ( -1.440 -4.746 2.934) 5.763 4.055 ( -1.426 -0.816 -0.143) 1.649 4.257 ( -0.976 0.765 -3.161) 3.396 4.331 ( -6.368 3.919 0.823) 7.523 4.426 ( 4.053 2.451 -1.437) 4.950 5.262 ( 0.112 -2.703 -4.742) 5.459 5.621 ( -8.514 -1.980 1.107) 8.811 5.782 ( 5.906 -11.386 1.363) 12.899 5.832 ( 2.123 -5.661 -5.719) 8.322 6.446 ( -2.696 9.973 7.240) 12.615 6.682 ( -4.825 7.627 -9.204) 12.890 6.879 ( 12.002 7.566 -6.801) 15.733 7.534 ( 3.191 -2.854 3.974) 5.842 7.815 ( 0.268 9.687 3.200) 10.205 8.736 ( -8.660 -14.305 -0.409) 16.727 9.880 ( -9.810 -24.848 6.826) 27.573 11.642 ( -1.647 -3.846 -1.186) 4.349 11.757 ( 1.292 0.816 0.337) 1.565 11.845 ( 3.475 2.547 -1.788) 4.664 11.896 ( 0.769 6.722 -0.506) 6.784 13.890 ( -3.791 -6.623 -0.291) 7.637 14.071 ( 2.367 -3.373 -0.535) 4.155 14.134 ( -2.085 -0.151 0.434) 2.135 14.160 ( -2.703 1.426 0.043) 3.057 17.586 ( 5.255 9.222 -1.044) 10.666 17.780 ( 4.193 7.283 0.799) 8.442 18.473 ( -5.080 -9.103 0.816) 10.457 18.541 ( -5.797 -10.619 -0.994) 12.139 19.549 ( -0.102 -0.382 0.133) 0.417 19.578 ( -0.350 0.741 -0.395) 0.910 20.094 ( -0.452 -2.428 0.742) 2.579 20.172 ( 0.147 0.907 -0.031) 0.920 20.884 ( -7.125 -12.237 3.264) 14.532 21.573 ( -3.287 -5.565 3.653) 7.424 22.511 ( -0.070 -0.174 -0.175) 0.256 22.530 ( 0.162 0.215 -0.049) 0.274 28.231 ( 1.262 3.330 0.635) 3.618 28.390 ( 4.585 7.428 -1.058) 8.793 28.477 ( 4.323 5.233 -0.531) 6.809 28.506 ( 3.497 7.647 0.722) 8.440 33.420 ( -0.041 -0.117 -0.082) 0.149 33.436 ( -0.162 -0.206 0.049) 0.267 36.177 ( 4.779 -2.789 -4.029) 6.845 36.431 ( -0.070 10.975 -6.086) 12.550 37.167 ( -4.866 3.715 6.322) 8.801 37.496 ( 10.021 7.057 -3.903) 12.862 41.573 ( -1.147 2.335 -1.522) 3.014 41.802 ( 1.709 3.352 0.301) 3.775 42.008 ( 4.907 7.785 -1.532) 9.329 42.479 ( 17.911 24.500 -12.531) 32.834 44.639 ( -2.251 -2.259 5.844) 6.658 45.120 ( 0.223 -2.117 -2.202) 3.063 ======================= Grid point 196 (96/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 7.151 -0.583 6.147) 9.447 1.704 ( 4.144 8.133 14.164) 16.850 1.782 ( 9.264 7.647 0.068) 12.012 2.133 ( -3.482 3.256 -11.414) 12.370 2.224 ( -9.289 -1.833 -2.224) 9.726 2.745 ( 0.521 -5.092 -1.227) 5.263 2.826 ( -8.922 -14.160 -1.217) 16.781 2.950 ( -0.192 -8.636 -2.549) 9.006 3.311 ( 3.540 -8.131 0.600) 8.889 3.473 ( -6.564 9.510 6.565) 13.290 3.658 ( -2.561 1.653 -1.974) 3.631 3.810 ( 5.228 -7.267 5.007) 10.258 4.020 ( -2.457 -0.038 2.644) 3.610 4.197 ( -4.044 1.692 -4.208) 6.077 4.282 ( -5.159 4.272 1.108) 6.789 4.460 ( 0.979 -3.930 -2.905) 4.984 5.175 ( -7.939 -1.780 -3.078) 8.698 5.408 ( -6.067 -10.629 -6.006) 13.633 5.710 ( 2.845 -4.879 -3.112) 6.449 5.926 ( 8.816 -2.812 2.180) 9.507 6.565 ( -3.042 12.154 9.044) 15.453 6.626 ( -2.504 4.191 -6.259) 7.938 7.092 ( 12.121 5.271 -5.326) 14.250 7.562 ( 0.836 -1.947 1.247) 2.459 7.870 ( -3.352 2.699 4.425) 6.173 8.482 ( -9.061 -8.446 -0.767) 12.411 9.546 ( -10.984 -19.986 3.938) 23.143 11.581 ( -1.382 -2.229 -1.014) 2.812 11.797 ( 2.745 0.416 0.306) 2.793 11.883 ( 0.621 2.357 -3.392) 4.177 11.988 ( 3.586 4.956 1.234) 6.240 13.788 ( -2.238 -3.898 -1.086) 4.624 14.066 ( -1.400 -1.948 1.045) 2.617 14.082 ( -1.968 1.468 -1.535) 2.896 14.157 ( 0.075 -0.627 1.634) 1.752 17.675 ( 0.671 -2.618 -0.142) 2.707 17.851 ( 0.238 -3.859 -0.102) 3.868 18.379 ( -0.768 1.204 0.222) 1.445 18.396 ( -3.254 0.273 -1.061) 3.434 19.536 ( -1.495 -0.508 1.027) 1.883 19.577 ( 0.155 0.186 -0.949) 0.979 20.076 ( 0.215 -2.065 0.798) 2.224 20.176 ( -0.388 0.662 -0.340) 0.839 20.702 ( -7.244 -7.931 3.467) 11.286 21.496 ( -3.199 -3.641 1.731) 5.146 22.510 ( 0.131 0.194 -0.202) 0.309 22.536 ( 0.320 0.394 -0.045) 0.509 28.299 ( 2.821 3.065 0.534) 4.200 28.530 ( 5.381 6.672 -0.860) 8.614 28.570 ( 2.612 5.728 -0.687) 6.333 28.659 ( 6.261 4.821 1.133) 7.983 33.418 ( -0.076 -0.109 -0.090) 0.160 33.431 ( -0.201 -0.208 0.061) 0.296 36.198 ( 3.964 -2.102 -4.418) 6.296 36.491 ( 0.279 8.244 -2.875) 8.736 37.186 ( -2.508 2.727 7.771) 8.609 37.636 ( 6.802 1.827 -4.763) 8.502 41.577 ( -0.243 2.405 -0.602) 2.491 41.855 ( 2.642 -2.040 3.164) 4.599 42.160 ( 4.899 11.498 -2.503) 12.746 42.894 ( 20.746 18.766 -15.258) 31.864 44.599 ( -4.128 -2.986 5.166) 7.255 45.102 ( 1.577 -1.568 -2.202) 3.130 ======================= Grid point 197 (97/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 2.118 4.984 6.768) 8.669 1.723 ( -12.590 -1.318 14.063) 18.921 1.982 ( -1.526 4.490 -1.304) 4.918 2.051 ( -4.358 -5.089 -7.579) 10.116 2.211 ( 14.725 5.370 0.306) 15.676 2.622 ( 4.670 -5.129 -8.675) 11.108 2.644 ( -6.697 -4.517 -0.400) 8.088 2.856 ( 2.152 -10.871 -0.487) 11.092 3.272 ( 0.925 -7.370 -0.150) 7.429 3.524 ( -2.318 4.285 1.446) 5.082 3.680 ( -3.078 13.942 1.920) 14.406 3.870 ( 6.515 -7.770 5.100) 11.350 4.031 ( 0.169 -0.574 6.539) 6.567 4.130 ( -3.698 -2.729 -3.506) 5.781 4.232 ( -5.997 4.386 -1.063) 7.505 4.381 ( 3.298 -5.270 -3.328) 7.052 4.870 ( -22.335 -8.351 1.985) 23.928 5.320 ( 8.525 -3.345 -10.737) 14.112 5.742 ( 3.454 2.338 -1.923) 4.593 6.026 ( 2.905 1.027 -1.011) 3.243 6.556 ( -3.766 -1.660 2.447) 4.788 6.706 ( -0.728 10.815 7.119) 12.969 7.233 ( 6.150 -2.982 -3.371) 7.621 7.548 ( -1.801 1.825 -1.578) 3.011 7.871 ( 1.923 -0.834 3.233) 3.853 8.310 ( -6.597 -2.824 0.378) 7.186 9.252 ( -8.953 -12.905 -0.204) 15.707 11.550 ( -0.603 -0.535 -0.670) 1.048 11.843 ( 1.030 1.291 1.029) 1.945 11.883 ( 1.160 0.827 -3.732) 3.995 12.087 ( 3.482 2.056 1.284) 4.243 13.738 ( -1.226 0.017 -1.608) 2.022 14.029 ( -2.589 0.743 1.246) 2.968 14.075 ( 0.503 -0.238 -0.699) 0.893 14.169 ( 1.266 -1.220 1.595) 2.374 17.591 ( -1.392 -9.700 0.669) 9.822 17.742 ( -1.516 -11.448 -1.429) 11.636 18.428 ( 0.976 7.994 -1.893) 8.273 18.443 ( 0.086 8.737 0.945) 8.788 19.512 ( -1.852 -0.895 2.216) 3.024 19.573 ( 0.278 -0.129 -1.486) 1.517 20.072 ( 0.358 -0.774 0.191) 0.874 20.170 ( -0.470 0.084 -0.368) 0.603 20.561 ( -5.822 -5.053 2.447) 8.087 21.438 ( -1.855 -1.900 0.534) 2.708 22.515 ( 0.181 0.401 -0.177) 0.474 22.545 ( 0.236 0.422 -0.047) 0.485 28.366 ( 2.009 2.248 0.301) 3.030 28.629 ( -0.069 6.863 -0.617) 6.891 28.661 ( 4.799 1.635 -0.517) 5.096 28.776 ( 3.794 1.690 1.119) 4.302 33.415 ( -0.046 -0.063 -0.101) 0.128 33.428 ( -0.110 -0.153 0.093) 0.210 36.208 ( 2.732 -0.279 -5.168) 5.853 36.547 ( 0.515 4.496 0.166) 4.529 37.223 ( -2.395 1.858 8.537) 9.059 37.699 ( 4.823 -0.363 -4.490) 6.599 41.598 ( 0.327 2.378 0.158) 2.406 41.875 ( 0.763 -3.394 2.032) 4.029 42.314 ( 3.300 8.829 -0.117) 9.426 43.260 ( 19.143 14.447 -13.369) 27.457 44.533 ( -4.134 -3.481 4.483) 7.021 45.111 ( 2.655 -0.462 -3.031) 4.056 ======================= Grid point 198 (98/125) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -6.805 -3.267 9.690) 12.283 1.559 ( -16.849 -2.752 10.998) 20.308 1.876 ( -1.437 -0.954 -3.226) 3.658 2.045 ( 5.780 2.288 -4.446) 7.643 2.338 ( 1.744 -1.459 -2.093) 3.090 2.565 ( 5.438 -5.971 -3.580) 8.835 2.735 ( 5.352 0.072 2.423) 5.875 2.917 ( 13.890 2.574 -2.932) 14.427 3.248 ( 1.493 -0.492 0.341) 1.609 3.481 ( -4.459 2.350 -6.031) 7.860 3.755 ( -1.147 4.950 0.611) 5.118 3.879 ( -7.564 -12.981 -3.519) 15.431 3.929 ( 3.790 -4.382 6.221) 8.501 4.080 ( 0.728 -0.595 6.689) 6.755 4.278 ( -2.195 4.369 1.162) 5.026 4.424 ( -10.824 -2.677 1.232) 11.218 4.586 ( 10.021 5.791 0.995) 11.617 5.398 ( 10.857 -1.295 -9.474) 14.467 5.803 ( 2.052 3.922 -2.773) 5.223 5.979 ( -8.542 3.343 -5.361) 10.624 6.534 ( 0.246 -4.248 7.985) 9.048 6.834 ( 0.124 8.306 6.696) 10.669 7.186 ( 0.054 -10.117 -1.622) 10.246 7.518 ( -4.875 5.197 -2.927) 7.704 7.954 ( 5.674 -4.142 0.779) 7.068 8.256 ( 1.236 2.670 2.785) 4.051 9.042 ( -5.920 -5.826 -2.560) 8.692 11.538 ( 0.049 -0.219 -0.539) 0.584 11.855 ( -1.261 2.877 -1.590) 3.521 11.896 ( 1.620 -0.741 -0.448) 1.837 12.139 ( 1.563 -0.726 0.762) 1.885 13.721 ( -1.222 2.656 -1.777) 3.421 14.003 ( -2.593 -0.732 2.562) 3.718 14.098 ( 3.437 0.117 -1.582) 3.786 14.191 ( 1.341 -0.842 1.322) 2.063 17.538 ( 4.700 -7.014 0.829) 8.483 17.656 ( 4.541 -8.574 -1.875) 9.881 18.478 ( -2.220 6.638 -2.306) 7.370 18.496 ( -4.466 7.633 1.177) 8.921 19.499 ( -0.709 -0.976 3.355) 3.565 19.565 ( 0.205 -0.136 -1.636) 1.655 20.068 ( -0.361 0.428 -1.422) 1.528 20.163 ( 0.043 -0.390 0.272) 0.477 20.464 ( -3.841 -3.086 2.649) 5.594 21.413 ( -0.299 -0.606 0.116) 0.685 22.519 ( -0.052 0.340 -0.134) 0.369 22.549 ( -0.066 0.291 -0.079) 0.308 28.395 ( -0.411 0.916 0.060) 1.006 28.657 ( -2.437 4.664 -0.670) 5.305 28.705 ( 0.444 -1.161 0.067) 1.245 28.815 ( -0.007 -1.052 0.872) 1.367 33.414 ( 0.068 0.043 -0.103) 0.131 33.427 ( 0.030 -0.117 0.105) 0.160 36.216 ( 1.896 1.940 -5.783) 6.388 36.587 ( 0.325 1.417 2.104) 2.557 37.242 ( -3.423 -0.232 8.457) 9.126 37.738 ( 4.809 -0.403 -4.981) 6.935 41.631 ( 0.903 2.167 0.715) 2.454 41.845 ( -1.290 -3.552 -0.236) 3.786 42.391 ( -2.022 3.396 2.653) 4.761 43.574 ( 15.950 12.327 -12.969) 23.969 44.478 ( -1.991 -3.538 3.688) 5.485 45.129 ( 2.455 0.464 -4.751) 5.368 ======================= Grid point 203 (99/125) ======================= q-point: ( 0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -23.360 1.000 12.372) 26.453 1.394 ( 1.718 16.723 7.279) 18.320 1.792 ( -3.602 -6.570 8.198) 11.106 2.040 ( 9.273 1.483 -7.514) 12.027 2.379 ( 4.337 -0.133 -7.245) 8.445 2.703 ( -3.132 -1.583 -1.457) 3.800 3.042 ( 7.047 -4.934 -0.253) 8.606 3.178 ( 5.997 -10.001 -1.641) 11.776 3.382 ( -2.384 3.461 -2.440) 4.859 3.562 ( -4.708 -0.140 -1.513) 4.947 3.658 ( -1.167 -3.867 -0.099) 4.040 3.911 ( -1.200 -5.398 4.031) 6.843 3.932 ( 8.049 0.533 3.006) 8.609 4.158 ( 2.784 -1.850 0.604) 3.396 4.299 ( 4.697 1.320 -1.264) 5.040 4.439 ( -1.972 0.553 0.411) 2.089 5.191 ( 3.643 -9.540 -2.710) 10.565 5.607 ( 3.313 -1.870 -2.844) 4.750 5.854 ( -4.295 0.484 -2.099) 4.805 5.940 ( -6.783 -6.484 -1.724) 9.541 6.419 ( 8.826 2.489 1.538) 9.299 6.569 ( 0.577 9.253 -1.934) 9.471 6.952 ( -10.494 10.979 -8.170) 17.246 7.528 ( -3.085 -4.335 3.958) 6.632 7.791 ( 0.681 9.006 3.663) 9.746 8.729 ( 9.250 -15.319 -0.081) 17.895 9.914 ( 8.788 -23.124 5.865) 25.423 11.651 ( 1.040 -3.384 -1.405) 3.809 11.793 ( -1.556 2.274 -2.378) 3.640 11.803 ( -0.799 1.422 0.241) 1.649 11.884 ( -2.365 5.751 0.558) 6.243 13.923 ( 4.247 -6.764 -1.106) 8.063 14.041 ( -0.892 -1.316 0.445) 1.651 14.082 ( 1.679 -1.831 0.798) 2.609 14.212 ( 1.079 1.290 -0.616) 1.791 17.577 ( -4.757 8.604 -0.783) 9.863 17.783 ( -4.309 7.605 0.691) 8.768 18.475 ( 4.899 -9.037 0.757) 10.308 18.542 ( 5.702 -10.498 -1.011) 11.989 19.533 ( 0.795 -0.977 0.408) 1.324 19.593 ( -0.296 1.236 -0.714) 1.458 20.124 ( -1.273 -1.893 0.659) 2.375 20.146 ( 1.463 0.623 0.031) 1.590 20.884 ( 7.152 -12.295 3.308) 14.604 21.573 ( 3.275 -5.552 3.647) 7.406 22.511 ( 0.092 -0.202 -0.169) 0.279 22.530 ( -0.164 0.227 -0.046) 0.283 28.290 ( -3.280 3.508 -0.809) 4.870 28.328 ( -0.790 7.409 0.678) 7.481 28.439 ( -5.532 4.658 0.150) 7.233 28.548 ( -4.065 8.123 -0.257) 9.087 33.420 ( 0.065 -0.159 -0.065) 0.183 33.437 ( 0.144 -0.167 0.032) 0.223 36.154 ( -4.173 -3.013 -3.274) 6.100 36.418 ( 0.611 9.316 -5.299) 10.735 37.220 ( 4.171 5.360 5.258) 8.590 37.496 ( -10.927 8.041 -4.846) 14.407 41.576 ( 0.941 2.466 -1.544) 3.058 41.882 ( -4.086 11.989 -2.126) 12.844 41.965 ( -2.580 -0.454 0.353) 2.643 42.422 ( -17.129 23.078 -11.526) 30.965 44.634 ( 2.429 -2.546 5.854) 6.830 45.128 ( -0.589 -1.534 -2.293) 2.821 ======================= Grid point 204 (100/125) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -3.420 6.588 14.252) 16.070 1.573 ( -0.754 15.971 0.805) 16.009 1.699 ( -0.762 -5.044 6.322) 8.123 2.187 ( 7.272 0.047 -8.621) 11.278 2.395 ( -1.191 2.794 -0.410) 3.065 2.645 ( 0.603 -2.262 -1.941) 3.041 3.021 ( 0.675 -11.230 0.275) 11.254 3.090 ( -3.167 -14.719 -1.698) 15.152 3.301 ( -8.467 2.305 -0.640) 8.799 3.524 ( 3.004 -2.953 2.333) 4.816 3.659 ( 1.658 4.675 -1.398) 5.153 3.845 ( -5.982 -4.723 4.430) 8.815 4.049 ( 3.816 1.879 -0.101) 4.254 4.175 ( 2.633 -5.279 0.970) 5.978 4.362 ( 3.892 1.324 -4.963) 6.444 4.438 ( -0.687 2.588 -0.506) 2.725 5.152 ( 4.162 -7.678 -2.049) 8.971 5.607 ( 1.781 -13.808 -1.422) 13.995 5.734 ( -1.654 -5.837 -3.969) 7.249 5.784 ( -7.866 1.993 2.800) 8.584 6.574 ( 3.662 6.380 4.926) 8.853 6.708 ( 4.599 8.673 -5.641) 11.323 6.858 ( -6.068 13.218 -7.818) 16.512 7.505 ( 0.973 -3.021 4.836) 5.784 7.903 ( 0.779 8.336 1.235) 8.463 8.652 ( 0.478 -16.736 -0.301) 16.745 9.770 ( -1.464 -27.042 6.448) 27.838 11.609 ( -0.313 -4.438 -0.866) 4.533 11.783 ( -2.444 0.929 0.116) 2.617 11.815 ( 2.118 2.819 -0.834) 3.623 11.944 ( 0.940 7.446 -0.619) 7.530 13.868 ( -1.325 -8.244 -0.300) 8.355 14.003 ( 0.630 -2.753 0.238) 2.835 14.134 ( 2.210 0.547 0.135) 2.280 14.211 ( -1.625 0.890 -0.881) 2.051 17.637 ( 0.324 10.594 -0.703) 10.622 17.825 ( -0.212 6.759 0.588) 6.788 18.420 ( 0.008 -10.753 0.796) 10.782 18.470 ( 0.015 -11.603 -0.911) 11.639 19.540 ( 0.511 -0.478 0.369) 0.791 19.592 ( -0.425 1.047 -0.873) 1.427 20.088 ( -1.058 -2.721 1.021) 3.093 20.171 ( 0.837 0.689 -0.182) 1.099 20.840 ( 0.029 -12.394 2.581) 12.660 21.563 ( 0.004 -6.375 2.705) 6.925 22.509 ( 0.011 -0.167 -0.150) 0.225 22.531 ( -0.003 0.296 -0.020) 0.297 28.276 ( -1.374 4.126 0.111) 4.350 28.413 ( -0.870 7.657 -1.467) 7.845 28.461 ( 3.601 6.881 1.308) 7.876 28.585 ( -1.407 9.450 -0.041) 9.554 33.418 ( 0.028 -0.181 -0.043) 0.188 33.436 ( -0.029 -0.215 0.006) 0.217 36.099 ( 0.757 -1.447 -1.205) 2.029 36.480 ( 0.727 9.497 -5.537) 11.017 37.307 ( -2.254 3.662 1.646) 4.604 37.458 ( 0.102 8.300 -1.290) 8.400 41.589 ( -0.103 1.861 -2.107) 2.813 41.877 ( -4.806 2.312 2.044) 5.712 42.018 ( 3.396 13.777 -3.360) 14.582 42.473 ( 2.261 22.997 -8.224) 24.527 44.668 ( 0.211 -2.810 5.072) 5.802 45.086 ( -0.408 -2.525 -1.885) 3.178 ======================= Grid point 205 (101/125) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 5.476 11.233 11.059) 16.687 1.712 ( 7.543 10.926 -2.374) 13.487 1.804 ( 1.840 7.954 11.051) 13.739 2.116 ( -3.125 -2.887 -12.143) 12.867 2.318 ( -5.514 -5.770 -3.219) 8.606 2.634 ( -0.977 -9.741 -2.135) 10.020 2.867 ( -6.566 -8.172 3.703) 11.118 2.907 ( -3.966 -7.000 -2.963) 8.574 3.215 ( -1.006 -4.775 1.705) 5.169 3.565 ( 4.614 -6.498 1.789) 8.168 3.712 ( -2.249 -9.004 1.042) 9.339 3.774 ( -1.938 16.664 4.081) 17.266 4.085 ( -1.611 2.544 1.014) 3.177 4.161 ( 1.298 -4.886 -0.909) 5.136 4.337 ( 0.035 -2.918 -8.065) 8.577 4.463 ( -2.066 3.647 1.762) 4.547 5.147 ( 1.889 -2.614 -5.526) 6.398 5.372 ( -4.423 -19.746 -0.506) 20.242 5.698 ( -5.271 1.132 1.146) 5.512 5.786 ( 7.191 -2.109 3.541) 8.288 6.651 ( -3.115 2.508 -7.145) 8.188 6.740 ( 1.060 9.972 1.858) 10.199 6.987 ( 5.970 11.483 -1.325) 13.010 7.542 ( 2.001 -1.147 3.337) 4.056 7.946 ( -2.170 1.597 -0.276) 2.709 8.486 ( -3.670 -11.232 -1.097) 11.867 9.511 ( -6.420 -23.733 5.557) 25.207 11.568 ( -0.154 -2.648 -0.017) 2.653 11.769 ( 0.386 0.231 -0.283) 0.532 11.867 ( 1.622 2.217 -1.301) 3.040 12.020 ( 0.842 6.838 -0.067) 6.890 13.772 ( -1.801 -5.649 -0.017) 5.929 14.017 ( 2.863 -1.190 0.061) 3.101 14.135 ( -1.671 -0.705 -0.313) 1.840 14.184 ( -2.216 1.111 -0.280) 2.495 17.682 ( -3.122 0.876 -0.821) 3.345 17.833 ( -2.984 -4.646 0.562) 5.550 18.363 ( 2.084 -2.794 -0.129) 3.488 18.406 ( 2.017 0.105 0.056) 2.020 19.539 ( -0.145 -0.888 0.090) 0.905 19.588 ( -0.649 0.973 -0.705) 1.366 20.062 ( -0.153 -2.507 1.560) 2.957 20.180 ( 0.068 0.434 -0.616) 0.757 20.724 ( -3.520 -9.495 2.073) 10.337 21.507 ( -1.799 -4.967 1.349) 5.452 22.509 ( 0.154 0.148 -0.127) 0.249 22.535 ( 0.239 0.417 -0.005) 0.481 28.316 ( 0.547 4.583 1.012) 4.725 28.482 ( 4.016 5.133 -1.949) 6.802 28.596 ( 3.503 7.043 0.322) 7.873 28.665 ( 0.940 8.367 0.697) 8.448 33.417 ( -0.019 -0.171 -0.043) 0.177 33.432 ( -0.140 -0.218 0.010) 0.259 36.113 ( 2.651 -1.165 -0.645) 2.967 36.535 ( 0.418 7.642 -4.418) 8.837 37.314 ( -2.706 5.295 3.392) 6.846 37.540 ( 3.697 2.486 -1.867) 4.830 41.596 ( 0.300 2.340 -1.377) 2.731 41.856 ( -1.481 -0.383 3.757) 4.057 42.191 ( 4.183 14.620 -3.736) 15.659 42.733 ( 11.707 19.859 -8.061) 24.422 44.649 ( -2.333 -3.715 3.425) 5.566 45.059 ( 0.663 -1.777 -0.711) 2.026 ======================= Grid point 206 (102/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 1.958 13.269 10.607) 17.100 1.781 ( -5.266 -11.238 -6.381) 13.955 2.026 ( 6.741 0.326 1.409) 6.894 2.051 ( 8.654 10.480 2.789) 13.874 2.144 ( -6.885 -6.401 -1.127) 9.468 2.440 ( -2.206 -2.994 -6.580) 7.558 2.755 ( -1.732 -8.919 -0.275) 9.090 2.760 ( -10.591 -0.882 -0.384) 10.635 3.197 ( 2.353 -4.849 2.568) 5.970 3.560 ( -0.589 -1.450 -0.644) 1.693 3.660 ( 7.972 -15.252 2.450) 17.383 3.902 ( -5.959 11.459 3.007) 13.261 4.096 ( -0.034 -0.781 0.680) 1.036 4.136 ( -1.837 3.694 2.025) 4.596 4.260 ( 1.968 -2.733 -6.039) 6.915 4.403 ( -8.762 2.999 1.013) 9.317 5.075 ( -1.755 -4.498 -6.286) 7.926 5.139 ( -7.668 -11.235 0.365) 13.607 5.707 ( 3.089 3.101 1.064) 4.505 5.922 ( 8.872 -1.457 2.948) 9.462 6.569 ( -2.217 -0.981 -5.873) 6.354 6.862 ( 0.694 8.883 3.104) 9.435 7.133 ( 3.036 2.547 0.626) 4.012 7.585 ( 0.684 3.923 1.383) 4.216 7.872 ( -3.565 -4.338 -0.612) 5.648 8.350 ( -3.446 -4.908 -1.562) 6.197 9.246 ( -6.856 -16.546 2.506) 18.085 11.557 ( -0.287 0.046 0.418) 0.509 11.796 ( 3.146 -0.393 -0.275) 3.182 11.882 ( -0.191 1.502 -1.649) 2.239 12.085 ( 0.933 3.855 0.465) 3.993 13.730 ( 0.599 -1.082 -0.392) 1.297 14.055 ( 1.410 -0.186 0.664) 1.569 14.091 ( -2.613 0.543 -0.765) 2.776 14.158 ( -0.902 -0.957 0.494) 1.405 17.556 ( -5.497 -8.678 -0.061) 10.273 17.672 ( -5.407 -12.047 -0.386) 13.211 18.429 ( 4.345 4.607 -0.820) 6.386 18.525 ( 3.862 10.200 0.742) 10.932 19.521 ( -0.482 -1.848 0.061) 1.911 19.580 ( -1.011 0.927 -0.317) 1.408 20.060 ( 0.713 -1.204 1.528) 2.072 20.173 ( -0.518 -0.054 -0.967) 1.098 20.600 ( -4.249 -6.499 1.084) 7.840 21.448 ( -1.698 -2.842 0.401) 3.335 22.514 ( 0.287 0.440 -0.092) 0.533 22.544 ( 0.326 0.482 -0.001) 0.581 28.377 ( 1.027 4.241 0.999) 4.477 28.587 ( 5.746 2.624 -1.715) 6.546 28.687 ( 0.852 6.112 -0.429) 6.185 28.757 ( 2.122 4.081 1.295) 4.778 33.414 ( -0.039 -0.118 -0.053) 0.136 33.429 ( -0.132 -0.177 0.037) 0.224 36.143 ( 2.575 -0.036 -1.073) 2.790 36.574 ( 0.411 4.294 -2.220) 4.851 37.357 ( -2.982 6.370 5.895) 9.177 37.583 ( 4.207 -2.380 -3.377) 5.897 41.623 ( 0.433 3.164 -0.372) 3.215 41.855 ( -0.268 -2.582 3.101) 4.044 42.347 ( 3.489 10.558 -2.039) 11.305 43.062 ( 14.835 17.095 -6.638) 23.588 44.580 ( -3.536 -4.791 2.209) 6.351 45.064 ( 1.332 -0.027 -0.485) 1.418 ======================= Grid point 207 (103/125) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -10.469 0.445 5.512) 11.839 1.509 ( 2.885 -19.538 -2.611) 19.922 2.001 ( -4.350 1.400 -0.341) 4.583 2.071 ( -3.804 1.704 4.307) 5.993 2.230 ( 7.731 -0.884 -2.608) 8.207 2.513 ( -9.261 -2.421 -0.664) 9.595 2.613 ( 9.512 3.883 1.155) 10.339 2.752 ( 8.063 4.524 -3.620) 9.928 3.239 ( 2.306 1.497 4.249) 5.061 3.519 ( -2.025 -0.823 -3.419) 4.058 3.651 ( 5.940 -14.628 -3.368) 16.143 3.873 ( -2.632 -0.354 -0.486) 2.699 3.944 ( -8.066 -8.959 1.432) 12.140 4.098 ( 0.070 -1.497 1.360) 2.023 4.353 ( -0.089 0.483 0.782) 0.924 4.471 ( 2.214 21.134 5.320) 21.906 4.783 ( -18.208 -3.933 2.468) 18.791 5.124 ( 11.137 -5.439 -8.801) 15.201 5.803 ( 2.901 4.867 -0.882) 5.734 6.028 ( 2.281 0.374 -0.801) 2.446 6.499 ( 0.424 -5.481 1.016) 5.591 6.963 ( -0.107 7.752 3.378) 8.457 7.102 ( -2.267 -8.108 -0.519) 8.435 7.639 ( -4.095 9.640 -0.845) 10.508 7.829 ( 4.833 -4.964 0.859) 6.981 8.269 ( -1.169 -2.738 -0.409) 3.005 9.052 ( -4.659 -7.912 -0.397) 9.190 11.554 ( -1.201 0.901 0.350) 1.542 11.837 ( 2.571 -0.689 -1.516) 3.063 11.889 ( 0.446 2.369 -0.085) 2.412 12.118 ( 0.735 -0.123 0.464) 0.878 13.753 ( 0.569 3.562 -0.766) 3.687 14.040 ( 0.470 -3.136 -0.807) 3.272 14.064 ( -3.272 0.900 1.543) 3.728 14.165 ( 2.039 -0.575 0.337) 2.146 17.428 ( -0.007 -8.315 0.565) 8.334 17.518 ( -0.135 -8.877 -1.192) 8.958 18.522 ( 1.586 5.066 -0.982) 5.398 18.647 ( -1.304 9.382 0.688) 9.497 19.499 ( 0.051 -2.522 0.727) 2.625 19.572 ( -0.947 1.038 -0.097) 1.408 20.072 ( 0.048 0.393 0.226) 0.455 20.157 ( -0.106 -0.690 -0.584) 0.911 20.499 ( -3.175 -4.091 0.947) 5.265 21.413 ( -0.693 -1.125 0.065) 1.323 22.522 ( 0.107 0.471 -0.066) 0.488 22.552 ( 0.094 0.395 -0.023) 0.407 28.423 ( -0.386 3.220 0.515) 3.284 28.664 ( 3.541 -0.383 -0.931) 3.681 28.730 ( -1.248 4.880 -0.582) 5.070 28.807 ( 0.806 0.042 1.171) 1.422 33.413 ( 0.029 -0.008 -0.058) 0.065 33.426 ( -0.048 -0.150 0.057) 0.167 36.178 ( 1.997 2.134 -2.192) 3.654 36.600 ( 0.660 1.234 0.240) 1.420 37.375 ( -6.091 2.467 6.773) 9.437 37.610 ( 6.091 -2.043 -4.683) 7.950 41.657 ( 0.058 3.491 0.461) 3.522 41.828 ( -1.171 -3.766 0.626) 3.993 42.451 ( 1.160 4.380 1.037) 4.648 43.395 ( 13.797 15.406 -6.420) 21.655 44.494 ( -2.782 -5.397 1.761) 6.322 45.086 ( 1.226 1.576 -1.723) 2.637 ======================= Grid point 212 (104/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -5.512 2.082 6.171) 8.532 1.589 ( -8.508 18.071 5.871) 20.818 1.854 ( -4.021 -5.697 5.791) 9.065 1.922 ( -0.018 3.018 -6.668) 7.320 2.173 ( 9.408 -4.636 -4.870) 11.564 2.742 ( -3.380 -5.288 -2.765) 6.858 2.846 ( 8.413 -9.338 0.527) 12.580 2.967 ( 5.651 -9.077 -2.026) 10.882 3.313 ( 8.303 -0.801 -1.580) 8.490 3.585 ( -0.433 -2.861 -0.732) 2.984 3.716 ( 10.826 0.720 0.572) 10.865 3.865 ( -10.746 8.831 0.393) 13.915 3.951 ( -2.812 -3.344 7.269) 8.481 4.089 ( 4.257 -1.031 0.393) 4.398 4.232 ( 4.273 -0.169 0.246) 4.283 4.503 ( -4.626 -0.583 0.397) 4.679 5.009 ( 5.776 -11.929 0.004) 13.254 5.506 ( 2.991 -2.881 -7.271) 8.373 5.842 ( -1.277 -1.402 -7.140) 7.388 5.968 ( -1.724 -4.633 -1.992) 5.330 6.357 ( 4.108 3.366 5.004) 7.297 6.664 ( -0.659 8.883 2.810) 9.340 7.166 ( -10.134 8.287 -6.261) 14.511 7.571 ( -4.600 -1.269 1.863) 5.123 7.832 ( 4.337 2.019 4.723) 6.722 8.451 ( 9.605 -11.098 0.682) 14.693 9.586 ( 12.029 -18.397 2.293) 22.100 11.599 ( 1.295 -1.515 -1.230) 2.342 11.806 ( -0.462 1.166 -2.972) 3.226 11.833 ( -1.839 0.926 0.395) 2.096 12.002 ( -4.728 4.785 1.128) 6.820 13.799 ( 3.648 -4.395 -1.273) 5.851 14.016 ( 2.171 1.398 0.289) 2.598 14.092 ( -2.077 -2.245 1.282) 3.316 14.190 ( 1.893 0.227 -0.367) 1.941 17.661 ( -0.896 -2.607 0.148) 2.760 17.847 ( 0.703 -4.436 -0.067) 4.492 18.367 ( 2.676 -1.075 -0.378) 2.909 18.422 ( 0.533 3.089 -0.670) 3.205 19.510 ( 1.338 -1.353 1.120) 2.208 19.599 ( -0.062 0.903 -1.042) 1.380 20.121 ( 0.663 -0.746 -0.987) 1.404 20.137 ( -0.286 -0.412 1.326) 1.418 20.701 ( 7.226 -7.999 3.535) 11.345 21.497 ( 3.180 -3.615 1.715) 5.111 22.510 ( -0.134 0.164 -0.179) 0.277 22.536 ( -0.312 0.405 -0.049) 0.514 28.367 ( -2.516 4.899 -1.134) 5.623 28.417 ( -3.333 3.918 0.887) 5.220 28.589 ( -6.264 5.284 0.531) 8.213 28.684 ( -4.929 6.259 -0.179) 7.969 33.417 ( 0.064 -0.158 -0.048) 0.177 33.432 ( 0.221 -0.167 0.024) 0.278 36.180 ( -4.633 -2.396 -3.695) 6.392 36.463 ( -0.128 6.554 -1.466) 6.718 37.254 ( 2.726 5.614 6.146) 8.759 37.633 ( -6.142 1.573 -5.911) 8.669 41.584 ( 0.100 2.672 -0.687) 2.761 41.951 ( 0.616 -1.227 1.535) 2.059 42.090 ( -6.975 11.098 -1.500) 13.194 42.838 ( -22.023 17.043 -13.793) 31.076 44.590 ( 4.090 -3.348 5.216) 7.426 45.120 ( -1.631 -0.659 -2.523) 3.076 ======================= Grid point 213 (105/125) ======================= q-point: ( 0.44 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -16.656 8.726 5.390) 19.560 1.670 ( -3.407 3.541 -3.790) 6.206 1.807 ( -0.063 12.396 9.309) 15.503 2.036 ( 5.856 1.346 -2.528) 6.519 2.297 ( 10.240 -3.386 -1.643) 10.909 2.608 ( -1.419 -8.620 -2.379) 9.054 2.899 ( 1.464 -12.355 1.806) 12.572 2.914 ( 7.780 -10.620 -3.733) 13.683 3.403 ( 4.463 0.389 -3.026) 5.406 3.499 ( -3.595 -6.652 3.594) 8.372 3.726 ( -11.022 10.209 -5.099) 15.865 3.916 ( 3.291 -0.282 6.195) 7.021 3.948 ( 4.028 -0.530 0.905) 4.162 4.157 ( 1.827 1.194 0.113) 2.185 4.296 ( 3.395 0.125 -0.749) 3.479 4.402 ( -1.220 -6.028 -1.478) 6.325 5.010 ( 5.098 -6.293 2.728) 8.547 5.431 ( 1.133 -16.573 -4.909) 17.322 5.712 ( -3.417 -1.578 -4.326) 5.734 5.925 ( -4.503 1.361 2.920) 5.537 6.523 ( 8.060 6.166 -0.051) 10.148 6.757 ( -0.893 8.641 0.783) 8.722 7.060 ( -8.500 11.316 -5.853) 15.315 7.507 ( -2.025 -3.349 3.874) 5.507 7.937 ( 3.053 2.737 0.854) 4.189 8.463 ( 5.090 -12.707 0.385) 13.694 9.544 ( 5.024 -23.274 3.711) 24.098 11.578 ( -0.555 -2.467 -0.940) 2.698 11.798 ( 0.505 0.767 -0.019) 0.919 11.837 ( -1.079 2.072 -0.644) 2.423 12.006 ( -1.303 6.518 0.223) 6.650 13.788 ( 1.706 -5.561 -0.868) 5.881 14.017 ( -3.311 -2.214 1.502) 4.257 14.093 ( 3.291 1.419 -0.280) 3.595 14.211 ( 1.081 -0.155 -1.000) 1.481 17.676 ( 3.488 1.209 -0.208) 3.698 17.838 ( 3.226 -4.468 0.457) 5.530 18.360 ( -1.601 -2.852 0.445) 3.301 18.408 ( -3.013 -0.263 -0.918) 3.161 19.529 ( 1.095 -0.461 1.032) 1.574 19.595 ( -0.187 0.417 -1.563) 1.628 20.089 ( -1.251 -2.483 0.687) 2.864 20.160 ( 1.122 0.615 0.038) 1.280 20.723 ( 3.559 -9.543 2.127) 10.405 21.507 ( 1.786 -4.966 1.333) 5.443 22.508 ( -0.129 0.137 -0.108) 0.217 22.536 ( -0.242 0.436 -0.007) 0.498 28.334 ( -2.464 3.349 -1.203) 4.329 28.497 ( 1.914 8.511 1.484) 8.849 28.536 ( -6.336 5.454 0.138) 8.362 28.693 ( -2.152 7.850 -0.402) 8.149 33.416 ( 0.053 -0.183 -0.003) 0.191 33.433 ( 0.113 -0.202 -0.026) 0.232 36.101 ( -2.169 -0.916 0.176) 2.361 36.516 ( 0.543 7.300 -3.381) 8.063 37.348 ( -0.117 3.991 0.890) 4.091 37.550 ( -2.911 3.767 -2.003) 5.165 41.598 ( -0.492 2.137 -1.635) 2.735 41.929 ( -0.717 -2.790 1.427) 3.215 42.138 ( -2.790 16.597 -2.639) 17.035 42.694 ( -9.904 20.456 -5.619) 23.412 44.644 ( 2.680 -3.535 3.836) 5.865 45.069 ( -1.359 -1.844 -1.454) 2.713 ======================= Grid point 214 (106/125) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.162 10.348 4.417) 11.253 1.721 ( 3.687 6.947 4.910) 9.272 1.959 ( -2.904 10.289 4.044) 11.430 2.065 ( 0.102 4.077 -4.907) 6.381 2.225 ( -2.987 -12.994 -12.147) 18.037 2.590 ( 1.955 -4.764 3.430) 6.188 2.786 ( 2.089 -14.689 -0.258) 14.839 2.919 ( 1.559 -2.016 2.637) 3.667 3.342 ( -11.937 2.684 -2.151) 12.423 3.447 ( 1.431 -7.857 5.075) 9.462 3.644 ( -0.695 -6.345 -4.989) 8.101 3.947 ( 0.154 10.631 4.063) 11.382 4.052 ( 2.947 -0.795 -0.352) 3.072 4.188 ( -0.373 5.021 0.979) 5.129 4.248 ( -0.963 -3.696 -8.366) 9.196 4.430 ( 7.531 -5.775 3.010) 9.956 5.069 ( 1.319 -2.892 -2.331) 3.942 5.221 ( 0.735 -18.332 1.688) 18.424 5.702 ( 2.455 1.187 0.216) 2.735 5.851 ( -8.113 -1.017 4.974) 9.570 6.674 ( 1.707 2.685 -3.369) 4.634 6.743 ( -0.766 6.432 -6.918) 9.478 7.095 ( -0.932 13.448 2.222) 13.663 7.512 ( 2.590 -2.772 4.166) 5.635 7.966 ( -0.479 0.119 -2.579) 2.626 8.400 ( 0.688 -9.672 -0.849) 9.733 9.397 ( -0.941 -21.929 5.166) 22.549 11.548 ( 0.019 -1.713 0.256) 1.732 11.788 ( -2.181 -0.118 0.523) 2.246 11.861 ( 1.388 2.914 -0.641) 3.290 12.065 ( 0.746 6.239 -0.459) 6.300 13.742 ( -0.669 -5.273 0.285) 5.322 13.991 ( 0.292 0.904 0.731) 1.199 14.122 ( 0.774 -1.606 -0.996) 2.042 14.211 ( -0.414 0.585 -1.008) 1.237 17.723 ( -0.065 -1.421 -1.076) 1.784 17.836 ( -0.518 -5.859 1.243) 6.012 18.311 ( -0.363 -1.007 0.277) 1.106 18.373 ( 0.978 1.978 0.026) 2.207 19.539 ( -0.383 -0.478 0.461) 0.767 19.588 ( 0.529 0.319 -1.748) 1.854 20.058 ( -0.761 -2.424 1.876) 3.158 20.175 ( 0.488 0.386 -0.583) 0.852 20.676 ( 0.038 -8.768 0.836) 8.808 21.483 ( 0.011 -4.523 0.579) 4.560 22.508 ( 0.014 0.216 -0.034) 0.219 22.537 ( -0.017 0.409 0.033) 0.411 28.349 ( 0.661 3.654 0.012) 3.713 28.508 ( -2.771 4.996 -0.717) 5.758 28.613 ( 2.567 7.019 0.884) 7.526 28.742 ( -0.493 7.445 -0.199) 7.464 33.415 ( 0.019 -0.166 0.015) 0.168 33.432 ( -0.024 -0.187 -0.046) 0.194 36.091 ( 0.159 -0.195 2.253) 2.267 36.560 ( 0.489 6.064 -4.426) 7.524 37.357 ( 0.440 2.121 -2.434) 3.259 37.571 ( -1.293 4.481 2.100) 5.115 41.598 ( 0.164 1.847 -1.713) 2.524 41.905 ( -1.661 -1.973 3.176) 4.092 42.244 ( 1.295 14.809 -5.928) 16.004 42.803 ( 0.495 21.000 1.111) 21.035 44.645 ( -0.148 -4.324 0.837) 4.407 45.044 ( 0.047 -0.951 1.418) 1.708 ======================= Grid point 215 (107/125) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 8.017 0.727 2.515) 8.433 1.766 ( -10.504 -12.874 -4.386) 17.185 1.939 ( 5.494 4.837 3.294) 8.027 1.997 ( 1.086 -3.253 -10.442) 10.991 2.183 ( -1.579 10.017 5.405) 11.491 2.548 ( -4.877 6.754 0.451) 8.343 2.684 ( 0.298 -11.919 -0.524) 11.934 2.977 ( -7.034 10.643 0.226) 12.759 3.163 ( -4.916 -2.991 0.825) 5.813 3.438 ( 3.056 -12.425 4.987) 13.733 3.518 ( 0.631 -9.209 -1.689) 9.384 4.032 ( -1.381 -2.866 -2.989) 4.366 4.080 ( -3.358 4.741 1.762) 6.071 4.137 ( 0.098 -6.287 -4.384) 7.665 4.314 ( 4.842 20.851 0.861) 21.423 4.487 ( 0.547 -3.260 1.473) 3.619 4.896 ( 2.013 -16.711 -6.569) 18.068 5.208 ( -4.078 -3.889 6.778) 8.815 5.752 ( -4.028 0.914 3.823) 5.628 5.806 ( 6.865 -0.012 3.090) 7.528 6.561 ( -4.628 -0.327 -8.879) 10.018 6.849 ( 5.748 4.452 -3.813) 8.210 7.204 ( -1.846 6.400 4.838) 8.233 7.577 ( 4.941 -1.506 3.717) 6.363 7.908 ( -4.539 2.126 -3.711) 6.237 8.315 ( -0.845 -6.632 -2.517) 7.144 9.207 ( -4.330 -16.538 4.245) 17.614 11.556 ( 1.078 0.195 1.073) 1.533 11.770 ( -0.024 0.202 0.598) 0.632 11.889 ( -0.032 1.750 -0.912) 1.974 12.116 ( 0.007 3.726 -0.342) 3.742 13.706 ( 0.644 -1.930 0.719) 2.158 14.038 ( 2.127 2.910 0.194) 3.610 14.090 ( -0.350 -3.454 -0.685) 3.538 14.190 ( -2.393 0.441 -0.948) 2.611 17.603 ( -8.276 -5.886 -1.209) 10.227 17.702 ( -8.528 -7.736 1.376) 11.596 18.369 ( 6.017 2.441 -0.109) 6.494 18.504 ( 8.427 6.586 0.874) 10.731 19.515 ( -1.056 -1.315 -0.981) 1.951 19.593 ( 0.194 0.507 -0.545) 0.769 20.051 ( 0.437 -1.462 2.489) 2.919 20.173 ( -0.356 0.021 -1.106) 1.162 20.589 ( -1.928 -6.843 -0.459) 7.125 21.444 ( -0.804 -2.807 0.072) 2.921 22.513 ( 0.290 0.351 0.023) 0.456 22.543 ( 0.281 0.379 0.051) 0.475 28.407 ( 1.567 3.487 1.424) 4.080 28.531 ( 1.941 3.116 -2.002) 4.182 28.702 ( 1.985 3.797 0.416) 4.305 28.797 ( -0.017 5.169 0.097) 5.170 33.414 ( -0.022 -0.112 0.017) 0.115 33.429 ( -0.101 -0.129 -0.036) 0.168 36.121 ( 1.222 0.523 2.873) 3.166 36.583 ( 0.361 3.605 -4.011) 5.405 37.398 ( 4.683 1.787 -3.046) 5.865 37.579 ( -4.267 2.507 3.640) 6.143 41.624 ( 1.777 2.550 -1.093) 3.294 41.879 ( -2.104 -2.184 3.342) 4.513 42.351 ( 3.498 8.483 -5.713) 10.810 43.062 ( 5.777 20.521 4.388) 21.765 44.581 ( -2.059 -4.996 -1.142) 5.523 45.065 ( 0.413 0.833 3.081) 3.218 ======================= Grid point 216 (108/125) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -2.612 -25.011 -11.344) 27.587 1.591 ( -1.974 -7.263 1.934) 7.771 1.944 ( 3.672 5.941 -1.600) 7.165 2.144 ( 1.421 0.728 3.354) 3.714 2.179 ( -1.999 1.063 4.613) 5.139 2.582 ( -0.559 -5.071 -2.648) 5.748 2.698 ( 0.531 16.096 4.385) 16.691 2.800 ( -15.340 12.408 -5.494) 20.480 3.222 ( 7.715 0.607 0.016) 7.739 3.358 ( 1.671 -15.204 3.552) 15.703 3.535 ( 4.338 -1.819 2.160) 5.176 3.892 ( -7.020 -4.994 -6.503) 10.793 4.019 ( -4.152 -0.941 0.563) 4.295 4.071 ( -1.896 -4.886 0.556) 5.270 4.396 ( -4.680 -3.592 -0.577) 5.928 4.673 ( 8.106 28.096 4.024) 29.518 4.832 ( 7.046 -11.575 -6.527) 15.041 5.029 ( -14.110 -7.508 5.521) 16.910 5.786 ( 3.088 2.456 2.699) 4.780 5.956 ( 6.867 1.884 2.167) 7.443 6.451 ( -1.455 -3.552 -5.894) 7.034 6.931 ( 5.435 1.279 -4.336) 7.069 7.171 ( -7.833 -2.640 3.755) 9.079 7.678 ( 7.160 -3.509 4.087) 8.961 7.855 ( -7.288 11.321 -2.332) 13.664 8.228 ( -0.187 -6.436 -2.720) 6.990 9.047 ( -3.631 -8.383 1.637) 9.281 11.577 ( -0.209 0.761 0.541) 0.956 11.800 ( 1.908 0.695 1.358) 2.443 11.894 ( 0.397 1.688 -1.092) 2.049 12.123 ( -1.013 0.209 -0.232) 1.060 13.746 ( 3.392 2.492 0.776) 4.280 14.022 ( -1.993 -3.566 -0.111) 4.087 14.120 ( 3.107 1.818 -0.381) 3.620 14.133 ( -3.741 -0.566 -0.611) 3.833 17.421 ( -6.713 -4.541 -0.495) 8.120 17.517 ( -7.321 -4.310 0.795) 8.533 18.494 ( 5.927 2.495 -0.073) 6.432 18.685 ( 5.577 5.229 0.691) 7.676 19.480 ( -0.522 -1.754 -1.043) 2.106 19.592 ( -0.529 0.464 0.127) 0.715 20.073 ( 1.013 -0.083 2.143) 2.372 20.152 ( -0.858 -0.473 -1.452) 1.752 20.500 ( -1.998 -4.743 -0.958) 5.235 21.414 ( -0.671 -1.124 -0.049) 1.310 22.522 ( 0.337 0.343 0.039) 0.483 22.552 ( 0.316 0.272 0.039) 0.419 28.464 ( 0.118 3.325 1.575) 3.681 28.585 ( 4.489 -0.285 -2.116) 4.971 28.752 ( 1.458 1.298 0.245) 1.968 28.825 ( -0.801 2.020 0.208) 2.183 33.413 ( -0.009 -0.011 0.015) 0.021 33.426 ( -0.108 -0.086 -0.019) 0.140 36.169 ( 1.363 2.186 2.062) 3.300 36.592 ( 0.845 1.165 -2.086) 2.535 37.451 ( 3.821 -6.016 -4.825) 8.607 37.556 ( -4.404 7.127 5.242) 9.883 41.675 ( 1.814 3.284 -0.642) 3.806 41.835 ( -2.756 -3.278 1.879) 4.677 42.431 ( 4.141 2.061 -2.696) 5.354 43.377 ( 7.345 19.100 4.355) 20.922 44.489 ( -2.672 -5.186 -1.412) 6.002 45.099 ( -0.189 2.293 2.354) 3.291 ======================= Grid point 221 (109/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 14.965 -4.351 9.130) 18.063 1.646 ( 15.586 -8.408 12.740) 21.815 1.864 ( -7.458 1.091 -5.370) 9.255 2.067 ( -6.261 8.225 -6.568) 12.247 2.278 ( -16.463 11.705 -4.142) 20.621 2.581 ( -1.374 -7.015 -1.896) 7.395 2.677 ( 9.315 -7.434 -1.507) 12.013 2.959 ( -13.555 -7.371 2.393) 15.614 3.166 ( 8.265 -2.174 1.505) 8.677 3.502 ( 9.973 -4.409 -1.433) 10.997 3.534 ( 4.187 0.229 -3.370) 5.380 3.961 ( -2.343 -6.637 4.272) 8.233 4.002 ( 3.872 -1.192 4.804) 6.284 4.156 ( 1.150 0.458 -1.314) 1.806 4.302 ( -12.901 18.411 1.987) 22.569 4.512 ( 1.077 -2.237 -0.933) 2.652 4.791 ( 13.484 -7.880 3.702) 16.050 5.383 ( -1.049 -7.073 -11.172) 13.264 5.833 ( -2.996 0.747 -4.688) 5.614 5.884 ( 4.519 -0.512 -4.471) 6.378 6.390 ( -0.387 -1.627 8.696) 8.855 6.763 ( 0.680 6.999 4.906) 8.574 7.290 ( -5.069 -0.287 -3.648) 6.252 7.646 ( 4.052 5.784 -3.534) 7.897 7.821 ( -6.676 -1.273 5.103) 8.499 8.266 ( 6.600 -5.684 2.564) 9.080 9.266 ( 10.649 -12.832 -1.694) 16.761 11.576 ( 0.384 0.573 -0.821) 1.072 11.800 ( -0.111 0.886 -2.423) 2.582 11.875 ( -2.386 -0.126 0.331) 2.412 12.104 ( -3.121 2.150 0.940) 3.904 13.727 ( 1.550 -0.465 -1.451) 2.173 14.033 ( -0.956 3.465 0.969) 3.722 14.077 ( 2.283 -2.120 0.340) 3.134 14.174 ( -0.756 -1.633 0.646) 1.912 17.585 ( 1.122 -9.752 0.687) 9.840 17.726 ( 1.675 -11.353 -1.161) 11.535 18.374 ( 0.646 6.122 -0.514) 6.178 18.519 ( -1.752 10.654 -0.641) 10.816 19.485 ( 1.274 -1.532 1.794) 2.681 19.598 ( 0.151 0.504 -0.931) 1.069 20.094 ( 1.035 0.109 -1.828) 2.103 20.148 ( -0.593 -0.858 1.407) 1.751 20.561 ( 5.754 -5.044 2.499) 8.050 21.439 ( 1.850 -1.869 0.526) 2.682 22.515 ( -0.212 0.398 -0.146) 0.474 22.544 ( -0.228 0.425 -0.060) 0.486 28.433 ( -0.782 4.947 -0.995) 5.106 28.501 ( -3.406 1.168 0.864) 3.703 28.704 ( -2.775 3.515 0.181) 4.482 28.796 ( -3.612 2.918 0.213) 4.648 33.414 ( 0.026 -0.095 -0.059) 0.115 33.428 ( 0.127 -0.127 0.055) 0.188 36.199 ( -3.055 -0.485 -5.188) 6.040 36.519 ( -0.924 3.280 2.284) 4.102 37.299 ( 3.730 5.178 6.961) 9.443 37.672 ( -5.023 -1.885 -5.507) 7.689 41.612 ( -0.580 2.978 0.214) 3.041 41.919 ( 1.429 -2.705 -0.350) 3.079 42.274 ( -4.407 7.791 1.737) 9.118 43.221 ( -20.241 13.212 -12.005) 26.988 44.525 ( 3.818 -3.573 4.339) 6.795 45.132 ( -2.376 0.323 -3.404) 4.163 ======================= Grid point 222 (110/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -3.648 6.317 0.751) 7.333 1.629 ( 0.817 -14.555 0.983) 14.611 1.941 ( 8.637 3.997 10.981) 14.531 2.116 ( 2.523 14.926 -5.204) 16.007 2.132 ( -8.960 6.892 0.006) 11.304 2.472 ( 1.118 -10.510 -7.653) 13.049 2.705 ( 4.619 -6.615 1.281) 8.169 2.781 ( -0.062 -12.151 0.712) 12.172 3.266 ( 5.847 -0.026 -3.576) 6.854 3.537 ( -2.897 -2.837 1.479) 4.316 3.677 ( 16.790 -2.854 0.340) 17.034 3.914 ( -2.398 -3.522 2.229) 4.809 4.066 ( 2.537 -0.361 1.816) 3.140 4.183 ( 5.143 -3.972 -0.004) 6.498 4.210 ( -15.083 14.791 -1.757) 21.198 4.427 ( -5.870 -5.749 -1.556) 8.362 4.928 ( 6.403 -0.340 6.987) 9.483 5.222 ( 0.393 -18.122 -6.636) 19.303 5.745 ( -3.323 1.547 -3.004) 4.739 5.965 ( 2.709 4.136 -1.108) 5.067 6.476 ( 4.729 2.591 3.466) 6.410 6.857 ( -0.780 7.247 2.630) 7.749 7.189 ( -4.151 0.937 -3.975) 5.823 7.597 ( -9.041 2.400 0.112) 9.355 7.855 ( 6.997 -2.911 0.739) 7.614 8.317 ( 4.146 -5.488 2.005) 7.164 9.271 ( 7.805 -16.333 0.021) 18.102 11.570 ( -0.721 -0.429 -0.848) 1.193 11.799 ( 0.445 1.369 -0.736) 1.617 11.862 ( -0.746 1.175 0.483) 1.473 12.086 ( -2.335 3.115 0.402) 3.914 13.734 ( 0.641 -0.687 -0.734) 1.192 14.048 ( -0.709 -1.137 1.244) 1.829 14.083 ( -0.689 1.487 0.093) 1.642 14.169 ( 2.294 -1.396 -0.638) 2.761 17.554 ( 5.841 -8.143 0.140) 10.022 17.669 ( 6.067 -11.850 -0.047) 13.313 18.418 ( -2.516 5.490 0.330) 6.048 18.541 ( -6.746 8.640 -0.855) 10.995 19.508 ( 1.807 -0.777 1.286) 2.350 19.591 ( -0.482 -0.246 -1.305) 1.413 20.086 ( -0.361 -1.008 -0.868) 1.378 20.152 ( 0.535 -0.086 1.001) 1.139 20.599 ( 4.200 -6.520 1.166) 7.843 21.449 ( 1.659 -2.857 0.376) 3.325 22.514 ( -0.298 0.437 -0.051) 0.531 22.545 ( -0.301 0.499 -0.017) 0.583 28.401 ( -3.742 2.462 -1.523) 4.732 28.553 ( 1.396 6.710 1.854) 7.100 28.678 ( -5.408 3.717 0.456) 6.578 28.776 ( -2.015 4.170 -0.739) 4.690 33.414 ( 0.037 -0.118 0.012) 0.124 33.429 ( 0.148 -0.170 -0.020) 0.226 36.137 ( -2.457 0.309 -0.358) 2.502 36.554 ( -0.206 4.242 -0.222) 4.252 37.414 ( -1.591 5.701 1.538) 6.116 37.562 ( -0.115 -2.280 -2.713) 3.546 41.625 ( -1.227 2.570 -0.626) 2.916 41.897 ( 0.938 -3.425 -0.936) 3.672 42.317 ( -3.570 11.380 0.859) 11.958 43.032 ( -14.223 17.893 -3.706) 23.155 44.576 ( 4.004 -4.268 2.628) 6.415 45.076 ( -2.137 -0.542 -1.676) 2.770 ======================= Grid point 223 (111/125) ======================= q-point: ( 0.56 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -9.700 6.517 -6.642) 13.441 1.710 ( 8.241 -3.463 10.935) 14.124 2.006 ( -2.949 -3.410 0.742) 4.569 2.086 ( -4.056 -8.281 -9.658) 13.353 2.256 ( -1.511 19.533 -4.415) 20.083 2.463 ( 10.194 -0.321 5.755) 11.711 2.649 ( 0.528 -10.981 -0.120) 10.994 2.821 ( 8.537 -2.326 2.262) 9.133 3.317 ( 5.777 -3.751 -3.951) 7.941 3.461 ( -4.221 -4.546 6.160) 8.742 3.749 ( -10.573 1.465 -3.520) 11.239 3.949 ( 10.702 1.819 -2.496) 11.139 4.057 ( -1.828 1.040 2.787) 3.492 4.150 ( 2.541 -2.492 -3.306) 4.858 4.213 ( -4.129 -4.205 -0.919) 5.965 4.333 ( 1.982 4.884 1.439) 5.464 4.945 ( -2.625 -22.387 -5.475) 23.196 5.131 ( 6.412 4.493 8.701) 11.705 5.721 ( -1.941 3.232 0.148) 3.773 5.978 ( -4.918 -0.652 3.590) 6.124 6.599 ( 6.654 2.660 -2.250) 7.511 6.839 ( -7.678 4.611 -5.538) 10.530 7.187 ( 2.753 4.201 0.939) 5.110 7.507 ( -3.773 -1.534 2.824) 4.956 7.923 ( 4.140 0.048 -2.355) 4.763 8.315 ( 0.902 -5.179 0.022) 5.257 9.223 ( 3.822 -16.137 2.663) 16.796 11.544 ( -0.814 -0.839 -0.106) 1.174 11.824 ( -0.859 0.274 2.299) 2.470 11.864 ( 0.465 2.420 -1.084) 2.692 12.103 ( 0.151 4.110 -0.455) 4.138 13.719 ( -0.922 -1.909 0.433) 2.164 14.022 ( -1.658 0.729 1.440) 2.314 14.088 ( 0.667 -1.068 -1.561) 2.005 14.195 ( 1.880 0.232 -1.048) 2.165 17.608 ( 7.999 -5.743 -1.058) 9.904 17.711 ( 8.947 -7.800 1.767) 12.000 18.396 ( -5.981 4.033 1.391) 7.347 18.463 ( -8.575 4.849 -1.120) 9.914 19.541 ( 1.564 -0.001 1.318) 2.045 19.563 ( -0.614 -0.955 -2.609) 2.845 20.064 ( -0.923 -1.407 1.169) 2.048 20.166 ( 0.686 0.169 -0.123) 0.717 20.589 ( 1.948 -6.857 -0.416) 7.140 21.443 ( 0.814 -2.831 0.054) 2.946 22.513 ( -0.281 0.341 0.047) 0.445 22.544 ( -0.288 0.384 0.042) 0.481 28.376 ( -1.239 2.456 -0.732) 2.846 28.617 ( -5.339 3.061 0.912) 6.222 28.648 ( 1.154 5.812 0.550) 5.951 28.796 ( -0.040 4.143 -0.885) 4.237 33.414 ( 0.026 -0.093 0.057) 0.112 33.429 ( 0.096 -0.145 -0.071) 0.188 36.124 ( -1.299 0.938 3.403) 3.761 36.578 ( -0.179 3.790 -2.736) 4.677 37.359 ( -2.961 0.358 -5.470) 6.230 37.618 ( 2.432 3.062 3.592) 5.310 41.613 ( -1.412 1.729 -1.343) 2.606 41.891 ( 1.717 -2.822 0.591) 3.355 42.348 ( -3.553 9.806 -3.671) 11.057 43.068 ( -5.679 21.112 6.485) 22.804 44.590 ( 1.939 -4.687 -0.896) 5.151 45.055 ( -0.301 0.293 2.225) 2.264 ======================= Grid point 224 (112/125) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -0.183 1.522 -4.931) 5.164 1.671 ( -6.272 -19.350 -14.233) 24.827 1.918 ( -0.696 -3.736 2.085) 4.335 1.993 ( 3.576 6.650 5.243) 9.192 2.365 ( -0.678 6.526 0.804) 6.610 2.575 ( -2.210 -2.985 3.170) 4.883 2.651 ( 2.558 10.435 -0.480) 10.754 2.962 ( 8.720 0.798 3.291) 9.354 3.308 ( -0.151 -5.538 -0.281) 5.548 3.417 ( -1.333 -3.930 6.601) 7.797 3.529 ( -17.289 6.369 -4.153) 18.887 4.014 ( 0.910 -1.742 -4.449) 4.863 4.080 ( -3.161 -4.886 -3.575) 6.830 4.144 ( 0.901 5.085 2.690) 5.823 4.214 ( 14.008 -4.259 -1.798) 14.751 4.483 ( 5.412 11.025 1.095) 12.330 4.663 ( -0.846 -22.012 -4.912) 22.570 5.313 ( -0.287 5.816 9.570) 11.202 5.757 ( 2.750 2.884 2.410) 4.657 5.867 ( -7.959 -3.979 5.298) 10.356 6.594 ( -5.612 -1.208 -8.803) 10.510 6.781 ( 2.549 5.088 -5.753) 8.092 7.293 ( 2.158 3.114 3.554) 5.194 7.480 ( 2.269 -6.011 2.541) 6.909 7.976 ( 0.898 7.783 -2.242) 8.149 8.254 ( -1.554 -5.250 -2.697) 6.103 9.135 ( -0.535 -13.508 3.865) 14.060 11.545 ( 1.205 0.157 0.931) 1.531 11.800 ( -2.352 0.218 1.287) 2.690 11.899 ( 0.562 1.554 -0.032) 1.653 12.140 ( 0.406 2.729 -0.639) 2.832 13.693 ( -0.371 -1.348 1.258) 1.881 14.034 ( 1.152 0.188 -1.420) 1.838 14.070 ( -0.686 0.395 0.479) 0.925 14.207 ( -0.112 0.460 -1.093) 1.191 17.634 ( -0.115 -3.327 -0.888) 3.446 17.751 ( -0.785 -4.096 1.594) 4.465 18.347 ( -2.394 2.150 0.391) 3.242 18.447 ( 3.350 3.406 0.826) 4.849 19.517 ( -1.544 -1.006 -2.183) 2.857 19.576 ( 1.680 0.066 0.064) 1.683 20.054 ( -0.254 -1.030 2.399) 2.623 20.170 ( -0.004 0.026 -0.783) 0.784 20.537 ( 0.032 -6.106 -1.910) 6.398 21.428 ( 0.032 -1.785 -0.132) 1.790 22.513 ( 0.013 0.255 0.111) 0.278 22.544 ( -0.016 0.243 0.087) 0.259 28.398 ( 2.003 1.513 -0.035) 2.511 28.571 ( -3.611 2.273 0.079) 4.268 28.709 ( 1.128 2.445 0.378) 2.720 28.826 ( 0.556 2.329 -0.699) 2.495 33.414 ( -0.011 -0.036 0.076) 0.085 33.429 ( 0.004 -0.065 -0.088) 0.109 36.150 ( -0.383 1.225 5.665) 5.808 36.581 ( -0.181 2.590 -4.163) 4.907 37.311 ( 2.010 -1.003 -6.546) 6.920 37.687 ( -1.173 3.842 4.748) 6.220 41.615 ( 0.803 2.150 -1.143) 2.564 41.891 ( 0.237 -3.011 1.565) 3.402 42.351 ( -0.724 5.029 -5.051) 7.164 43.274 ( -0.834 21.299 11.669) 24.301 44.546 ( -0.402 -4.150 -3.063) 5.174 45.093 ( 0.721 1.483 4.916) 5.185 ======================= Grid point 225 (113/125) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -11.578 -10.657 -13.251) 20.572 1.387 ( 3.514 -18.417 -10.710) 21.592 1.955 ( 5.955 2.401 7.375) 9.779 2.184 ( 4.021 9.440 3.230) 10.758 2.337 ( -10.150 2.428 3.825) 11.115 2.484 ( -0.149 -7.211 0.051) 7.213 2.848 ( 3.963 16.221 0.342) 16.702 3.039 ( 0.759 -7.296 -4.198) 8.452 3.191 ( -15.376 6.962 -1.099) 16.915 3.397 ( -3.447 9.558 5.377) 11.496 3.456 ( 3.690 -0.373 4.967) 6.199 3.948 ( -6.577 -1.237 -2.854) 7.275 3.961 ( 0.587 -4.728 -5.957) 7.628 4.148 ( -4.257 1.468 -0.075) 4.504 4.344 ( 2.705 -10.071 -0.860) 10.464 4.486 ( 13.894 -18.495 -3.276) 23.363 4.780 ( 8.025 22.617 -1.046) 24.021 5.276 ( -14.198 -0.613 11.105) 18.036 5.794 ( 0.990 -0.511 4.521) 4.656 5.907 ( 5.401 5.747 2.955) 8.422 6.427 ( -5.216 -1.873 -8.897) 10.482 6.828 ( 4.103 0.739 -6.078) 7.370 7.285 ( -6.614 -2.323 3.071) 7.653 7.527 ( 8.898 -6.044 2.584) 11.062 8.068 ( -2.409 15.310 0.158) 15.499 8.140 ( -2.153 -7.904 -4.656) 9.422 9.032 ( -2.130 -8.086 2.618) 8.762 11.581 ( 1.112 0.884 0.632) 1.555 11.799 ( 0.730 1.050 2.132) 2.486 11.901 ( -0.623 0.477 -0.637) 1.010 12.142 ( -1.359 -0.005 -0.383) 1.412 13.721 ( 2.832 1.838 1.607) 3.738 14.008 ( -0.027 -3.932 -0.333) 3.946 14.103 ( 0.118 3.330 -0.796) 3.426 14.179 ( -2.391 0.176 -1.018) 2.605 17.533 ( -8.996 0.682 -0.710) 9.050 17.646 ( -9.247 -0.176 1.527) 9.374 18.400 ( 6.445 0.135 0.450) 6.462 18.592 ( 9.470 1.074 0.929) 9.576 19.472 ( -1.155 -0.802 -2.163) 2.580 19.595 ( 0.546 -0.046 0.202) 0.584 20.070 ( 0.926 -0.223 2.618) 2.786 20.155 ( -0.953 -0.242 -1.257) 1.596 20.466 ( -0.705 -4.808 -2.617) 5.519 21.414 ( -0.337 -0.549 -0.124) 0.656 22.519 ( 0.322 0.143 0.122) 0.373 22.549 ( 0.282 0.093 0.091) 0.310 28.460 ( 4.475 0.319 0.695) 4.540 28.543 ( -1.653 0.347 -0.749) 1.848 28.735 ( 1.143 -0.721 0.366) 1.400 28.839 ( 0.273 -0.213 -0.612) 0.703 33.414 ( -0.035 0.044 0.085) 0.102 33.427 ( -0.084 0.013 -0.088) 0.122 36.202 ( 0.237 2.073 6.153) 6.497 36.573 ( 0.400 1.210 -3.762) 3.972 37.301 ( 4.194 -4.209 -7.079) 9.242 37.717 ( -3.882 5.477 5.003) 8.373 41.659 ( 2.580 2.880 -1.121) 4.026 41.858 ( -1.968 -3.520 1.379) 4.262 42.357 ( 2.598 -0.687 -3.300) 4.256 43.544 ( 1.507 19.858 12.052) 23.278 44.474 ( -2.116 -3.070 -3.044) 4.814 45.148 ( -0.151 2.199 4.833) 5.312 ======================= Grid point 275 (114/125) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.000 -0.000 16.589) 16.589 0.992 ( 0.000 -0.000 16.589) 16.589 1.920 ( 0.000 -0.000 26.638) 26.638 2.197 ( -0.000 0.000 -16.909) 16.909 2.197 ( -0.000 0.000 -16.909) 16.909 2.723 ( -0.000 0.000 -3.121) 3.121 3.174 ( -0.000 0.000 -2.973) 2.973 3.174 ( -0.000 0.000 -2.973) 2.973 3.502 ( 0.000 0.000 0.847) 0.847 3.502 ( 0.000 -0.000 0.847) 0.847 3.779 ( -0.000 0.000 -1.441) 1.441 4.032 ( -0.000 0.000 -1.622) 1.622 4.032 ( -0.000 0.000 -1.622) 1.622 4.060 ( -0.000 0.000 -0.647) 0.647 4.369 ( 0.000 -0.000 2.576) 2.576 4.369 ( 0.000 -0.000 2.576) 2.576 5.306 ( -0.000 0.000 -4.312) 4.312 5.815 ( 0.000 -0.000 6.342) 6.342 5.815 ( 0.000 -0.000 6.342) 6.342 5.817 ( -0.000 0.000 -3.648) 3.648 6.501 ( -0.000 0.000 -8.572) 8.572 6.501 ( -0.000 0.000 -8.572) 8.572 6.654 ( -0.000 0.000 -0.892) 0.892 7.561 ( 0.000 -0.000 3.668) 3.668 7.561 ( 0.000 -0.000 3.668) 3.668 9.067 ( -0.000 0.000 -1.740) 1.740 10.420 ( 0.000 -0.000 0.429) 0.429 11.702 ( 0.000 -0.000 1.024) 1.024 11.702 ( 0.000 -0.000 1.024) 1.024 11.790 ( -0.000 0.000 -0.770) 0.770 11.790 ( -0.000 0.000 -0.770) 0.770 14.069 ( 0.000 -0.000 0.487) 0.487 14.069 ( 0.000 -0.000 0.487) 0.487 14.173 ( -0.000 0.000 -0.633) 0.633 14.173 ( -0.000 0.000 -0.633) 0.633 17.346 ( -0.000 0.000 -1.235) 1.235 17.583 ( 0.000 -0.000 0.862) 0.862 18.704 ( 0.000 -0.000 1.295) 1.295 18.787 ( -0.000 0.000 -0.907) 0.907 19.560 ( -0.000 0.000 -0.130) 0.130 19.560 ( 0.000 0.000 -0.130) 0.130 20.144 ( 0.000 -0.000 0.340) 0.340 20.144 ( 0.000 -0.000 0.340) 0.340 21.182 ( -0.000 0.000 -3.605) 3.605 21.753 ( 0.000 -0.000 2.303) 2.303 22.519 ( -0.000 0.000 -0.039) 0.039 22.529 ( -0.000 0.000 -0.067) 0.067 28.189 ( 0.000 -0.000 0.637) 0.637 28.189 ( 0.000 -0.000 0.637) 0.637 28.355 ( -0.000 0.000 -0.555) 0.555 28.355 ( -0.000 0.000 -0.555) 0.555 33.422 ( -0.000 0.000 -0.075) 0.075 33.440 ( 0.000 -0.000 0.056) 0.056 36.182 ( -0.000 0.000 -4.429) 4.429 36.182 ( -0.000 0.000 -4.429) 4.429 37.179 ( 0.000 -0.000 5.328) 5.328 37.179 ( 0.000 -0.000 5.328) 5.328 41.550 ( -0.000 0.000 -1.417) 1.417 41.550 ( -0.000 0.000 -1.417) 1.417 41.952 ( 0.000 -0.000 2.066) 2.066 41.952 ( 0.000 -0.000 2.066) 2.066 44.689 ( 0.000 -0.000 6.099) 6.099 45.151 ( -0.000 0.000 -2.635) 2.635 ======================= Grid point 276 (115/125) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 6.056 0.979 13.396) 14.734 1.237 ( 3.858 2.901 10.458) 11.518 1.944 ( -0.857 -11.833 -1.535) 11.963 2.013 ( -9.369 10.129 -2.047) 13.948 2.284 ( 6.853 1.122 -2.740) 7.465 2.699 ( 0.740 0.839 -3.875) 4.033 3.090 ( -4.017 -2.580 0.270) 4.782 3.225 ( 2.183 -1.292 -1.967) 3.210 3.405 ( -6.948 -1.092 -0.372) 7.043 3.522 ( 1.280 -2.881 -1.152) 3.357 3.729 ( -3.405 -1.346 -1.496) 3.955 3.935 ( -0.709 -4.768 4.529) 6.614 4.057 ( -3.175 5.670 -0.398) 6.510 4.125 ( 2.289 -0.062 -4.206) 4.789 4.313 ( -4.896 -0.638 1.001) 5.038 4.424 ( 2.732 0.372 1.153) 2.989 5.269 ( -2.332 -0.620 -3.064) 3.900 5.664 ( -7.381 -3.000 1.613) 8.129 5.858 ( 0.527 1.037 -1.850) 2.186 5.937 ( 4.662 -2.232 2.332) 5.670 6.383 ( -1.124 -2.431 -1.555) 3.097 6.517 ( -1.770 4.966 -2.923) 6.028 6.730 ( 10.898 3.871 -6.806) 13.419 7.597 ( 0.753 -0.437 2.004) 2.185 7.671 ( 6.889 5.364 3.817) 9.529 8.934 ( -11.305 -6.483 -0.929) 13.065 10.240 ( -15.395 -9.664 2.276) 18.319 11.684 ( -2.063 -1.538 -0.404) 2.604 11.749 ( 2.543 1.462 0.026) 2.934 11.788 ( 0.651 0.670 -0.624) 1.123 11.818 ( 3.219 2.231 0.009) 3.917 13.998 ( -4.805 -4.851 0.289) 6.834 14.078 ( -1.666 1.578 -0.461) 2.340 14.138 ( -2.885 0.928 0.449) 3.064 14.175 ( 1.153 -2.482 -0.404) 2.767 17.435 ( 8.495 5.030 -0.909) 9.914 17.668 ( 7.032 4.058 0.667) 8.146 18.620 ( -8.263 -4.793 1.234) 9.632 18.688 ( -8.480 -4.887 -1.039) 9.842 19.551 ( -0.676 0.203 0.244) 0.747 19.569 ( 0.756 -0.141 -0.468) 0.901 20.133 ( -0.234 -1.450 0.570) 1.575 20.153 ( -0.293 1.073 -0.033) 1.113 21.060 ( -9.094 -5.249 -0.847) 10.534 21.689 ( -6.132 -3.533 3.148) 7.746 22.514 ( -0.336 -0.199 -0.093) 0.402 22.528 ( 0.017 0.020 -0.023) 0.035 28.209 ( 3.284 -0.802 0.763) 3.466 28.264 ( 4.281 5.219 -0.421) 6.764 28.389 ( 2.992 4.025 0.006) 5.015 28.420 ( 6.944 1.651 -0.493) 7.155 33.421 ( -0.081 -0.037 -0.056) 0.106 33.439 ( -0.147 -0.095 0.038) 0.180 36.186 ( 0.305 2.871 -4.732) 5.543 36.224 ( 7.099 2.113 -3.480) 8.183 37.188 ( 0.206 -1.790 5.625) 5.907 37.350 ( 10.245 6.741 -0.247) 12.267 41.540 ( 0.276 0.081 -0.730) 0.784 41.674 ( 10.389 5.416 -3.418) 12.204 41.973 ( 1.318 -1.012 0.808) 1.848 42.111 ( 14.016 10.901 -0.875) 17.778 44.706 ( -2.064 -1.094 5.592) 6.060 45.127 ( -0.409 -0.402 -2.645) 2.707 ======================= Grid point 277 (116/125) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 8.156 -12.831 1.662) 15.294 1.417 ( 11.694 18.564 3.252) 22.180 1.870 ( 1.069 -3.549 1.429) 3.973 1.981 ( -2.181 5.927 -2.203) 6.689 2.258 ( -9.046 -3.416 1.784) 9.833 2.748 ( 3.962 2.797 -3.192) 5.806 2.985 ( -7.868 -3.899 2.412) 9.107 3.099 ( -9.572 -7.315 -1.155) 12.103 3.319 ( -3.270 0.065 -1.462) 3.583 3.544 ( 6.688 -5.457 1.238) 8.720 3.647 ( -3.513 -1.687 -2.991) 4.912 3.922 ( -4.069 -1.008 5.315) 6.769 4.032 ( -1.653 1.808 3.092) 3.945 4.105 ( -1.541 1.053 -2.836) 3.395 4.249 ( -3.188 -0.457 -0.379) 3.243 4.485 ( 3.396 1.019 -0.579) 3.592 5.171 ( -6.820 -0.745 -2.304) 7.237 5.527 ( -8.140 -4.954 -0.459) 9.540 5.797 ( -0.953 -5.230 -6.437) 8.348 5.967 ( 2.713 -1.252 -2.730) 4.047 6.426 ( -0.861 7.678 8.003) 11.123 6.547 ( 4.350 0.579 -0.221) 4.394 6.943 ( 14.981 6.268 -7.103) 17.725 7.601 ( -0.418 -0.785 0.086) 0.894 7.831 ( 3.265 3.507 4.878) 6.838 8.644 ( -14.960 -8.256 0.032) 17.087 9.870 ( -19.502 -12.502 1.323) 23.203 11.616 ( -2.802 -2.272 -1.215) 3.806 11.790 ( 1.483 1.126 0.055) 1.863 11.812 ( 1.213 2.204 -1.439) 2.898 11.924 ( 6.364 2.951 0.762) 7.056 13.866 ( -5.815 -4.521 -0.286) 7.371 14.033 ( -3.689 1.032 -1.128) 3.993 14.122 ( -0.319 -1.115 1.057) 1.569 14.174 ( 0.738 -0.765 0.602) 1.221 17.629 ( 8.395 5.393 -0.331) 9.984 17.829 ( 6.362 3.588 0.386) 7.314 18.433 ( -8.260 -4.860 0.563) 9.600 18.468 ( -10.324 -6.174 -1.105) 12.080 19.542 ( -1.339 0.311 0.900) 1.643 19.575 ( 0.871 -0.515 -0.815) 1.299 20.115 ( -0.539 -1.800 0.176) 1.887 20.158 ( -0.345 1.142 0.031) 1.193 20.851 ( -10.418 -6.005 1.644) 12.137 21.577 ( -5.957 -3.442 2.122) 7.200 22.508 ( -0.116 -0.054 -0.144) 0.192 22.531 ( 0.285 0.171 -0.031) 0.333 28.274 ( 4.703 -0.059 0.446) 4.724 28.387 ( 4.344 6.904 -0.417) 8.168 28.498 ( 6.735 2.895 -0.274) 7.336 28.576 ( 8.560 4.300 0.202) 9.582 33.419 ( -0.131 -0.054 -0.051) 0.151 33.435 ( -0.232 -0.152 0.037) 0.280 36.180 ( 0.720 1.288 -5.280) 5.483 36.353 ( 6.639 4.151 -0.172) 7.832 37.223 ( 1.291 -1.412 6.002) 6.300 37.540 ( 8.167 5.076 -4.226) 10.504 41.550 ( 1.009 0.360 -0.058) 1.073 41.881 ( 11.011 2.760 1.237) 11.419 41.989 ( 1.389 3.178 -2.540) 4.299 42.501 ( 22.136 14.897 -7.552) 27.730 44.676 ( -4.056 -2.056 4.728) 6.560 45.105 ( 0.258 -0.335 -2.663) 2.696 ======================= Grid point 278 (117/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 5.067 -6.520 -0.064) 8.257 1.823 ( 14.126 10.492 -3.860) 18.014 1.883 ( -3.574 -3.043 11.836) 12.732 2.017 ( -13.276 2.637 3.027) 13.870 2.078 ( 9.838 4.345 -3.953) 11.459 2.691 ( -6.080 -3.034 -5.859) 8.972 2.774 ( -11.162 -9.781 0.709) 14.858 2.983 ( 1.059 -1.777 -3.201) 3.811 3.296 ( -4.442 9.626 3.058) 11.034 3.511 ( -3.652 -6.502 0.880) 7.509 3.578 ( -3.498 -4.564 -0.915) 5.823 3.956 ( 6.777 1.618 2.419) 7.376 4.074 ( -1.485 0.842 5.073) 5.353 4.093 ( 2.196 1.521 -0.724) 2.768 4.202 ( -1.677 0.408 0.549) 1.811 4.483 ( -0.323 -6.111 -2.387) 6.568 5.009 ( -14.661 -3.406 2.765) 15.303 5.332 ( -1.713 -6.261 -8.853) 10.977 5.736 ( 2.534 -3.137 -3.423) 5.289 5.954 ( -3.561 4.145 -5.253) 7.580 6.533 ( -3.078 8.391 9.758) 13.233 6.650 ( 7.859 -1.904 3.321) 8.741 7.175 ( 12.091 4.838 -5.472) 14.126 7.570 ( -0.664 -3.266 -1.965) 3.869 7.889 ( -1.138 1.397 5.427) 5.719 8.385 ( -9.859 -4.941 0.722) 11.051 9.467 ( -17.681 -10.705 -1.974) 20.763 11.562 ( -0.931 -1.402 -1.124) 2.024 11.804 ( -1.084 2.467 -0.980) 2.867 11.856 ( 3.075 0.798 -0.472) 3.212 12.053 ( 5.750 2.351 0.905) 6.277 13.753 ( -4.096 -2.123 -0.939) 4.708 14.003 ( -0.051 1.032 -0.485) 1.141 14.103 ( -1.262 -2.024 0.915) 2.555 14.190 ( 0.586 0.290 1.208) 1.374 17.705 ( -2.262 -0.834 0.789) 2.537 17.856 ( -4.043 -1.545 -0.898) 4.421 18.322 ( -1.746 0.090 -0.799) 1.922 18.376 ( 3.313 -0.380 -0.313) 3.349 19.528 ( -1.876 0.366 1.696) 2.555 19.577 ( 0.853 -0.938 -0.778) 1.488 20.087 ( -1.003 -1.079 -1.014) 1.788 20.164 ( -0.041 0.478 0.472) 0.673 20.667 ( -8.276 -4.780 1.734) 9.713 21.482 ( -3.915 -2.282 0.697) 4.585 22.509 ( 0.222 0.137 -0.132) 0.292 22.538 ( 0.378 0.231 -0.054) 0.446 28.348 ( 4.297 -0.037 0.170) 4.301 28.501 ( 2.509 6.458 -0.095) 6.929 28.627 ( 6.719 1.629 -0.431) 6.927 28.734 ( 6.387 3.430 0.531) 7.269 33.416 ( -0.123 -0.056 -0.063) 0.149 33.431 ( -0.190 -0.114 0.065) 0.231 36.166 ( 0.773 0.828 -5.634) 5.747 36.485 ( 4.549 3.153 3.052) 6.321 37.272 ( 1.486 -1.559 6.388) 6.741 37.640 ( 4.071 3.425 -4.761) 7.140 41.576 ( 1.592 0.493 0.600) 1.772 41.940 ( -0.753 -2.165 0.312) 2.313 42.161 ( 10.363 7.337 1.377) 12.772 42.918 ( 21.586 13.872 -10.276) 27.640 44.612 ( -4.847 -2.365 3.894) 6.652 45.096 ( 1.216 -0.026 -3.460) 3.667 ======================= Grid point 285 (118/125) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -1.208 -9.509 17.212) 19.701 1.365 ( -0.174 9.395 4.681) 10.498 1.831 ( -0.444 -8.070 -3.664) 8.874 2.087 ( 3.112 3.562 -13.620) 14.418 2.316 ( -1.496 7.681 13.270) 15.405 2.651 ( 0.305 -1.252 -6.037) 6.173 3.150 ( 3.584 -0.120 0.176) 3.590 3.164 ( -5.590 0.192 -1.895) 5.906 3.423 ( 2.309 -10.534 -0.305) 10.789 3.488 ( -2.496 0.207 0.302) 2.523 3.711 ( 0.660 -4.876 -0.834) 4.991 3.956 ( -3.846 -3.637 4.733) 7.101 4.016 ( 3.628 1.351 -0.802) 3.954 4.161 ( 0.457 6.615 -5.989) 8.935 4.355 ( 4.415 -4.051 0.596) 6.022 4.396 ( -3.370 0.865 0.983) 3.615 5.249 ( 0.438 -2.921 -1.995) 3.564 5.728 ( 2.304 -2.667 -1.747) 3.934 5.794 ( 0.840 -5.120 5.247) 7.379 5.891 ( -5.255 -6.774 -1.029) 8.635 6.476 ( -3.272 10.477 2.831) 11.335 6.505 ( 7.449 7.183 -6.792) 12.378 6.646 ( -2.761 2.271 -5.236) 6.340 7.574 ( -0.118 -1.802 3.148) 3.629 7.725 ( 0.471 10.932 1.225) 11.011 8.930 ( 0.024 -12.472 -0.833) 12.499 10.238 ( -0.480 -19.515 2.168) 19.641 11.685 ( 0.013 -3.791 -0.339) 3.806 11.741 ( -0.211 2.829 0.454) 2.873 11.785 ( -0.212 0.688 -0.437) 0.842 11.824 ( 0.602 4.916 -0.323) 4.964 14.009 ( -1.780 -6.739 -0.048) 6.970 14.056 ( 1.501 -2.262 0.123) 2.718 14.140 ( 2.004 -1.128 0.582) 2.372 14.186 ( -1.778 1.164 -0.920) 2.316 17.430 ( 0.067 9.921 -0.654) 9.943 17.672 ( 0.000 8.194 0.450) 8.207 18.628 ( -0.013 -9.560 1.220) 9.638 18.679 ( 0.014 -10.112 -1.018) 10.163 19.551 ( 0.309 -0.455 0.293) 0.623 19.570 ( -0.296 0.821 -0.521) 1.017 20.131 ( -0.703 -1.479 0.617) 1.750 20.157 ( 0.652 0.606 -0.162) 0.904 21.055 ( 0.001 -9.445 -0.796) 9.478 21.707 ( 0.005 -6.667 2.206) 7.023 22.514 ( -0.004 -0.427 -0.071) 0.433 22.528 ( 0.006 0.012 -0.009) 0.016 28.215 ( -1.649 2.538 0.432) 3.057 28.266 ( 1.426 6.748 -0.379) 6.908 28.375 ( 1.456 3.504 0.399) 3.816 28.426 ( -1.243 7.329 -0.524) 7.452 33.421 ( 0.006 -0.099 -0.036) 0.106 33.439 ( -0.007 -0.158 0.019) 0.160 36.116 ( 0.576 -1.225 -1.248) 1.841 36.252 ( -0.164 10.246 -4.778) 11.306 37.262 ( -3.062 2.422 1.940) 4.359 37.305 ( 2.421 7.696 2.200) 8.362 41.551 ( -0.010 1.178 -1.276) 1.737 41.654 ( -0.404 12.623 -2.461) 12.867 41.961 ( -0.942 -0.707 1.604) 1.990 42.108 ( 1.589 13.923 -0.322) 14.017 44.742 ( 0.070 -1.878 4.606) 4.974 45.106 ( -0.115 -1.220 -2.330) 2.632 ======================= Grid point 286 (119/125) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 3.899 -4.679 12.212) 13.646 1.440 ( 3.410 11.241 -4.694) 12.650 1.837 ( 3.226 -0.604 6.907) 7.647 2.013 ( -3.062 3.314 -12.656) 13.437 2.386 ( -5.135 -1.431 5.873) 7.932 2.662 ( 4.946 1.815 -3.931) 6.574 3.054 ( -4.588 -6.088 0.654) 7.652 3.112 ( -6.367 -11.955 1.566) 13.635 3.325 ( 1.812 -5.222 0.027) 5.528 3.515 ( -0.935 7.108 1.691) 7.366 3.664 ( -1.913 -3.044 -2.214) 4.222 3.905 ( 0.400 -7.674 4.825) 9.074 4.066 ( 0.613 0.761 1.954) 2.185 4.154 ( -2.255 3.673 -6.496) 7.796 4.318 ( -3.206 0.857 -1.948) 3.849 4.420 ( 2.534 -0.146 0.432) 2.575 5.193 ( -1.985 -4.341 -2.468) 5.374 5.659 ( -10.854 -5.034 2.899) 12.310 5.691 ( -0.017 -8.687 -5.488) 10.275 5.874 ( 6.224 -3.630 4.581) 8.538 6.512 ( -1.764 7.315 -5.972) 9.606 6.601 ( -0.863 7.662 6.101) 9.832 6.759 ( 12.073 10.222 -5.161) 16.640 7.586 ( 0.436 -1.743 1.387) 2.270 7.854 ( 2.977 8.153 0.752) 8.712 8.729 ( -8.397 -14.260 -0.300) 16.551 9.964 ( -11.039 -21.935 2.339) 24.668 11.628 ( -2.100 -3.691 -0.332) 4.260 11.762 ( 1.149 0.484 0.161) 1.257 11.817 ( 1.747 2.331 -0.915) 3.054 11.896 ( 2.392 6.288 0.039) 6.728 13.891 ( -4.386 -7.078 0.394) 8.337 14.060 ( 2.233 -2.597 -0.576) 3.473 14.124 ( -3.838 0.154 -1.042) 3.980 14.176 ( 0.331 0.429 1.182) 1.301 17.571 ( 5.380 9.221 -0.477) 10.687 17.791 ( 4.176 7.274 0.301) 8.393 18.491 ( -5.517 -9.650 0.933) 11.155 18.522 ( -5.908 -10.388 -0.949) 11.988 19.554 ( 0.357 -0.612 0.176) 0.731 19.568 ( -0.522 0.807 -0.352) 1.024 20.111 ( -0.574 -1.927 0.998) 2.244 20.166 ( 0.080 0.660 -0.630) 0.916 20.914 ( -5.669 -9.804 0.502) 11.336 21.624 ( -3.737 -6.418 1.424) 7.562 22.509 ( -0.120 -0.223 -0.079) 0.265 22.530 ( 0.141 0.212 -0.007) 0.255 28.247 ( 1.193 3.334 1.067) 3.698 28.368 ( 5.218 6.419 -1.223) 8.363 28.464 ( 2.482 6.304 -0.811) 6.824 28.522 ( 4.856 7.753 0.931) 9.196 33.419 ( -0.063 -0.123 -0.033) 0.142 33.437 ( -0.138 -0.214 0.020) 0.256 36.126 ( 1.938 -0.987 -1.484) 2.633 36.342 ( 2.975 10.060 -2.711) 10.835 37.265 ( -1.241 2.635 3.666) 4.682 37.450 ( 6.179 5.987 -1.451) 8.725 41.554 ( 0.062 1.626 -0.458) 1.690 41.804 ( 5.629 10.127 0.321) 11.591 41.982 ( 1.764 2.934 -0.864) 3.531 42.347 ( 11.690 17.579 -3.266) 21.362 44.729 ( -2.112 -2.805 2.925) 4.570 45.081 ( -0.039 -1.309 -1.407) 1.922 ======================= Grid point 287 (120/125) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 1.115 5.987 5.269) 8.053 1.694 ( 11.955 15.085 -5.241) 19.949 1.919 ( 3.731 -0.979 2.187) 4.434 1.973 ( 2.820 3.998 -1.695) 5.178 2.257 ( -9.040 -5.303 3.767) 11.137 2.634 ( -3.668 -9.945 -5.762) 12.064 2.868 ( -8.637 -10.574 2.058) 13.807 2.920 ( -3.317 -9.272 -0.621) 9.867 3.344 ( 3.013 -6.241 2.729) 7.448 3.559 ( -4.686 -0.300 -0.928) 4.786 3.629 ( -1.149 14.407 3.221) 14.807 3.903 ( 4.888 -8.179 3.600) 10.185 4.057 ( -1.954 1.266 -3.829) 4.482 4.118 ( -0.259 0.242 1.191) 1.243 4.290 ( -2.591 4.303 -0.156) 5.026 4.408 ( -1.980 -6.419 -2.051) 7.023 5.093 ( -1.643 -3.122 -5.224) 6.304 5.368 ( -14.950 -12.470 1.429) 19.520 5.673 ( 1.457 0.471 -0.248) 1.552 5.955 ( 3.834 0.487 0.148) 3.868 6.537 ( 4.422 0.167 -2.524) 5.094 6.718 ( -0.269 9.992 5.942) 11.629 7.015 ( 11.104 9.167 -1.842) 14.516 7.560 ( -1.876 -1.101 -1.518) 2.653 7.929 ( 0.236 0.149 1.771) 1.793 8.471 ( -8.753 -9.570 -0.449) 12.977 9.580 ( -14.529 -18.375 -0.127) 23.425 11.570 ( -1.870 -1.376 -0.114) 2.324 11.800 ( 3.355 -0.200 -0.062) 3.362 11.840 ( -0.551 2.326 -1.085) 2.625 12.004 ( 4.310 4.863 0.462) 6.514 13.779 ( -3.152 -4.320 0.040) 5.348 14.048 ( -3.575 2.187 -1.746) 4.540 14.083 ( 1.505 -2.340 0.683) 2.865 14.188 ( 0.285 -0.784 1.474) 1.693 17.674 ( 1.887 -2.327 0.035) 2.996 17.846 ( -1.121 -4.752 -0.344) 4.894 18.372 ( -2.780 -0.353 -0.834) 2.924 18.393 ( -1.889 2.211 0.604) 2.970 19.550 ( 0.505 -1.216 -0.809) 1.545 19.565 ( -1.029 0.700 1.116) 1.672 20.091 ( -0.885 -1.286 0.520) 1.645 20.166 ( 0.045 0.177 -0.594) 0.621 20.738 ( -6.740 -7.756 0.513) 10.288 21.518 ( -3.787 -4.383 0.338) 5.802 22.508 ( 0.095 0.193 -0.065) 0.225 22.536 ( 0.290 0.408 -0.018) 0.501 28.313 ( 2.303 3.208 0.949) 4.062 28.515 ( 6.997 5.273 -0.676) 8.788 28.551 ( 1.999 6.489 -1.146) 6.886 28.680 ( 5.932 5.460 0.955) 8.119 33.416 ( -0.106 -0.122 -0.046) 0.168 33.432 ( -0.158 -0.203 0.048) 0.262 36.129 ( 0.716 0.243 -2.706) 2.810 36.471 ( 4.314 6.014 0.862) 7.451 37.308 ( -0.181 2.932 4.773) 5.605 37.563 ( 5.060 2.437 -2.811) 6.281 41.577 ( 0.622 1.971 0.562) 2.142 41.917 ( 1.293 -2.183 2.743) 3.737 42.116 ( 7.749 13.054 -1.218) 15.230 42.704 ( 16.450 17.308 -5.440) 24.490 44.669 ( -3.360 -3.661 1.538) 5.202 45.065 ( 0.081 -0.589 -1.230) 1.366 ======================= Grid point 294 (121/125) ======================= q-point: ( 0.44 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -13.034 -2.634 7.663) 15.347 1.406 ( 2.723 11.489 -4.674) 12.699 1.828 ( -3.458 -1.156 4.826) 6.048 1.983 ( 3.689 1.964 -6.242) 7.512 2.374 ( 7.011 -2.821 5.853) 9.559 2.654 ( -4.680 1.125 -3.085) 5.718 3.054 ( 5.842 -5.394 0.716) 7.983 3.149 ( 6.138 -11.940 -1.785) 13.544 3.340 ( 0.451 2.417 -1.656) 2.965 3.542 ( -5.964 3.849 -0.990) 7.167 3.643 ( 0.963 -4.884 -0.376) 4.992 3.949 ( 6.140 -2.715 -0.140) 6.715 4.024 ( -2.926 -1.808 6.218) 7.106 4.137 ( 2.659 1.899 -3.445) 4.748 4.282 ( 1.756 -0.748 0.887) 2.104 4.433 ( -2.098 0.077 -0.753) 2.230 5.168 ( 3.204 -7.178 0.155) 7.862 5.608 ( 7.634 -5.627 2.531) 9.816 5.748 ( -2.902 -5.828 -5.954) 8.822 5.938 ( -2.232 -1.517 -1.359) 3.021 6.431 ( 3.348 3.617 1.638) 5.194 6.611 ( -0.141 8.997 4.365) 10.001 6.794 ( -11.824 11.643 -7.808) 18.340 7.584 ( -0.939 -2.617 1.629) 3.223 7.843 ( -2.179 8.063 1.766) 8.537 8.727 ( 8.585 -14.565 -0.043) 16.907 9.976 ( 10.639 -21.300 1.082) 23.834 11.630 ( 1.586 -3.630 -0.643) 4.013 11.767 ( -0.114 1.436 -0.605) 1.563 11.808 ( -0.926 1.812 0.268) 2.053 11.893 ( -3.605 5.717 0.310) 6.766 13.904 ( 4.067 -7.395 -0.876) 8.485 14.050 ( 1.517 0.004 0.498) 1.597 14.102 ( -0.557 -2.726 1.195) 3.028 14.197 ( 0.596 1.056 -0.979) 1.558 17.568 ( -5.081 9.066 -0.162) 10.394 17.792 ( -4.231 7.371 0.210) 8.502 18.492 ( 5.548 -9.612 0.873) 11.132 18.522 ( 5.683 -10.415 -0.961) 11.904 19.545 ( 0.451 -0.592 0.766) 1.068 19.576 ( -0.258 0.721 -0.879) 1.166 20.127 ( 0.101 -1.606 -0.512) 1.688 20.151 ( 0.350 0.473 0.714) 0.925 20.914 ( 5.670 -9.820 0.513) 11.351 21.623 ( 3.732 -6.418 1.428) 7.560 22.509 ( 0.128 -0.236 -0.072) 0.277 22.530 ( -0.138 0.219 -0.003) 0.259 28.270 ( -2.786 2.772 -1.217) 4.115 28.346 ( -1.438 7.991 1.100) 8.193 28.448 ( -5.428 4.701 0.765) 7.222 28.538 ( -4.095 8.373 -0.710) 9.347 33.419 ( 0.070 -0.138 -0.011) 0.155 33.437 ( 0.134 -0.199 -0.001) 0.240 36.118 ( -1.760 -1.055 -0.637) 2.148 36.339 ( -2.802 9.444 -2.364) 10.131 37.288 ( 0.633 3.255 1.466) 3.625 37.443 ( -6.114 6.342 -1.046) 8.871 41.556 ( -0.191 1.678 -0.593) 1.790 41.829 ( -7.098 14.246 -2.472) 16.107 41.972 ( -0.524 -1.085 0.391) 1.267 42.324 ( -11.109 17.068 -0.941) 20.387 44.727 ( 2.269 -2.921 3.139) 4.851 45.085 ( -0.198 -1.075 -1.784) 2.092 ======================= Grid point 295 (122/125) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 1.213 -0.508 12.098) 12.169 1.475 ( -0.718 13.847 -5.718) 14.998 1.868 ( 0.586 3.231 8.454) 9.069 1.985 ( 0.148 2.371 -10.439) 10.706 2.377 ( -0.731 -9.534 -5.348) 10.956 2.658 ( 0.873 3.858 4.452) 5.956 3.023 ( -0.907 -10.026 -0.958) 10.112 3.081 ( -0.147 -13.859 0.596) 13.873 3.299 ( -5.135 0.208 0.564) 5.170 3.562 ( 4.135 4.733 1.104) 6.380 3.615 ( 2.189 -3.201 -1.405) 4.124 3.941 ( -7.419 -5.188 3.520) 9.713 4.050 ( 4.562 1.352 0.823) 4.829 4.143 ( 0.361 1.126 -5.210) 5.343 4.257 ( 0.516 -3.223 -2.716) 4.247 4.460 ( 0.985 2.915 1.689) 3.510 5.141 ( 0.860 -6.403 0.682) 6.496 5.561 ( -1.447 -16.461 -3.388) 16.868 5.704 ( 4.283 -1.563 2.612) 5.254 5.883 ( -4.882 0.498 5.555) 7.412 6.565 ( 4.393 7.946 -4.978) 10.355 6.604 ( -3.648 2.121 -6.112) 7.427 6.823 ( -0.041 17.775 4.573) 18.353 7.577 ( 0.731 -1.967 2.596) 3.338 7.897 ( -0.260 6.769 -1.969) 7.055 8.647 ( 0.062 -16.736 -0.249) 16.738 9.855 ( -0.217 -24.854 2.663) 24.997 11.603 ( 0.159 -4.114 0.207) 4.122 11.786 ( -2.669 0.944 0.285) 2.846 11.804 ( 1.847 2.583 -0.279) 3.188 11.935 ( 0.669 7.336 -0.429) 7.379 13.864 ( 0.012 -7.990 -0.067) 7.990 14.014 ( -1.141 -2.497 0.825) 2.867 14.134 ( 2.207 -0.484 -0.205) 2.269 14.191 ( -1.085 0.866 -1.102) 1.772 17.628 ( -0.099 10.504 -0.201) 10.506 17.832 ( -0.040 6.962 0.090) 6.963 18.437 ( -0.163 -11.227 0.655) 11.247 18.455 ( 0.316 -11.163 -0.343) 11.173 19.550 ( -0.205 -0.401 0.452) 0.638 19.572 ( 0.230 0.451 -0.904) 1.036 20.108 ( -0.329 -2.061 0.899) 2.272 20.163 ( 0.265 0.535 -0.474) 0.763 20.863 ( 0.008 -11.099 0.227) 11.101 21.594 ( 0.005 -7.234 0.406) 7.246 22.507 ( 0.002 -0.168 -0.014) 0.169 22.531 ( -0.005 0.305 0.019) 0.306 28.278 ( 0.654 3.949 -0.005) 4.003 28.391 ( -2.402 7.346 -0.777) 7.768 28.485 ( 2.425 7.215 1.066) 7.686 28.581 ( -0.692 9.715 -0.309) 9.745 33.418 ( 0.006 -0.162 0.006) 0.162 33.436 ( -0.008 -0.248 -0.021) 0.249 36.109 ( 0.091 -0.190 2.172) 2.182 36.387 ( 0.137 9.855 -3.662) 10.514 37.302 ( 0.090 2.068 -2.236) 3.047 37.476 ( -0.405 7.738 2.478) 8.135 41.559 ( 0.037 1.413 -1.053) 1.763 41.900 ( -2.399 15.082 -0.104) 15.272 41.965 ( 2.301 0.940 -0.890) 2.640 42.423 ( 0.165 21.054 1.241) 21.091 44.725 ( -0.038 -3.921 0.260) 3.930 45.068 ( 0.014 -1.028 0.567) 1.174 ======================= Grid point 296 (123/125) ======================= q-point: (-0.33 -0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 4.069 7.019 10.820) 13.524 1.657 ( 8.478 21.362 -2.936) 23.170 1.881 ( -5.157 -2.758 -5.656) 8.136 1.983 ( 1.902 6.074 1.288) 6.494 2.187 ( -0.165 -16.154 -8.329) 18.175 2.662 ( -6.516 -6.248 4.376) 10.032 2.865 ( -6.793 -8.074 -1.377) 10.641 2.938 ( -3.722 -8.473 2.324) 9.542 3.263 ( 1.464 -5.699 3.097) 6.649 3.581 ( 0.228 -3.909 0.152) 3.919 3.711 ( 4.353 -4.628 0.351) 6.363 3.853 ( -1.667 11.022 2.354) 11.393 4.091 ( 1.012 -0.670 -0.704) 1.403 4.100 ( -2.316 0.829 -6.309) 6.772 4.230 ( 2.083 -5.028 -1.211) 5.576 4.492 ( -2.936 3.835 1.237) 4.986 5.052 ( -3.768 -7.496 -4.062) 9.322 5.404 ( -1.980 -12.166 3.569) 12.833 5.735 ( -3.136 1.980 3.723) 5.255 5.888 ( 2.690 -3.147 5.751) 7.086 6.487 ( -1.638 2.020 -8.339) 8.735 6.731 ( 7.159 5.917 -3.244) 9.838 7.041 ( 3.020 14.882 6.031) 16.339 7.583 ( -0.745 0.525 0.820) 1.226 7.911 ( 0.272 -0.888 -3.286) 3.415 8.467 ( -4.206 -12.616 -0.916) 13.330 9.585 ( -8.362 -22.048 2.164) 23.680 11.577 ( -0.304 -1.884 0.924) 2.121 11.771 ( 0.195 0.255 0.765) 0.830 11.846 ( 0.788 2.178 -0.864) 2.472 12.016 ( 1.567 6.702 -0.422) 6.896 13.779 ( -2.162 -5.582 0.742) 6.032 14.018 ( 2.794 -0.870 0.003) 2.927 14.118 ( -2.551 0.047 -1.322) 2.874 14.184 ( -0.167 -0.513 0.235) 0.588 17.668 ( -2.805 0.298 -0.585) 2.881 17.842 ( -3.465 -3.963 0.366) 5.276 18.363 ( 1.174 -3.447 0.129) 3.643 18.411 ( 2.524 1.132 0.457) 2.804 19.533 ( -0.471 -1.264 -0.971) 1.662 19.582 ( 0.245 0.604 0.462) 0.799 20.094 ( -0.273 -1.715 1.685) 2.419 20.162 ( -0.181 0.306 -1.232) 1.282 20.738 ( -3.361 -9.702 -0.557) 10.282 21.518 ( -1.905 -5.453 -0.333) 5.786 22.508 ( 0.114 0.181 0.034) 0.217 22.536 ( 0.215 0.444 0.026) 0.494 28.340 ( 0.937 4.704 1.481) 5.020 28.446 ( 3.865 4.793 -1.829) 6.423 28.596 ( 2.024 7.782 -0.222) 8.044 28.677 ( 2.272 7.863 0.547) 8.203 33.416 ( -0.062 -0.151 0.000) 0.164 33.432 ( -0.086 -0.247 -0.006) 0.262 36.126 ( -0.206 0.694 1.911) 2.043 36.468 ( 2.780 6.655 -2.107) 7.514 37.335 ( 3.042 2.801 -1.817) 4.517 37.547 ( -0.399 4.332 2.797) 5.171 41.580 ( 1.377 1.831 -0.303) 2.311 41.929 ( -1.622 -0.558 3.476) 3.876 42.110 ( 6.589 13.636 -3.682) 15.586 42.690 ( 6.551 22.618 2.707) 23.702 44.665 ( -1.472 -5.041 -1.938) 5.598 45.071 ( -0.505 0.199 2.065) 2.135 ======================= Grid point 367 (124/125) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 -0.000 10.870) 10.870 1.271 ( 0.000 -0.000 10.870) 10.870 1.909 ( -0.000 0.000 -11.210) 11.210 1.909 ( -0.000 0.000 -11.210) 11.210 2.346 ( 0.000 -0.000 17.828) 17.828 2.614 ( -0.000 0.000 -8.903) 8.903 3.137 ( -0.000 0.000 -0.948) 0.948 3.137 ( -0.000 0.000 -0.948) 0.948 3.518 ( 0.000 -0.000 0.582) 0.582 3.518 ( 0.000 -0.000 0.582) 0.582 3.757 ( -0.000 0.000 -0.717) 0.717 3.996 ( -0.000 0.000 -1.396) 1.396 3.996 ( -0.000 0.000 -1.396) 1.396 4.050 ( -0.000 0.000 -0.298) 0.298 4.408 ( 0.000 -0.000 1.155) 1.155 4.408 ( 0.000 -0.000 1.155) 1.155 5.249 ( -0.000 0.000 -1.569) 1.569 5.756 ( -0.000 0.000 -2.013) 2.013 5.921 ( 0.000 -0.000 3.877) 3.877 5.921 ( 0.000 -0.000 3.877) 3.877 6.367 ( -0.000 0.000 -4.575) 4.575 6.367 ( -0.000 0.000 -4.575) 4.575 6.647 ( -0.000 0.000 -0.058) 0.058 7.609 ( 0.000 -0.000 1.292) 1.292 7.609 ( 0.000 -0.000 1.292) 1.292 9.041 ( -0.000 0.000 -0.813) 0.813 10.427 ( 0.000 -0.000 0.224) 0.224 11.719 ( 0.000 -0.000 0.618) 0.618 11.719 ( 0.000 -0.000 0.618) 0.618 11.776 ( -0.000 0.000 -0.518) 0.518 11.776 ( -0.000 0.000 -0.518) 0.518 14.077 ( 0.000 -0.000 0.237) 0.237 14.077 ( 0.000 -0.000 0.237) 0.237 14.163 ( -0.000 0.000 -0.294) 0.294 14.163 ( -0.000 0.000 -0.294) 0.294 17.330 ( -0.000 0.000 -0.438) 0.438 17.594 ( 0.000 -0.000 0.289) 0.289 18.727 ( 0.000 -0.000 0.955) 0.955 18.769 ( -0.000 0.000 -0.800) 0.800 19.558 ( -0.000 0.000 -0.042) 0.042 19.558 ( 0.000 0.000 -0.042) 0.042 20.149 ( 0.000 -0.000 0.125) 0.125 20.149 ( 0.000 -0.000 0.125) 0.125 21.135 ( -0.000 0.000 -1.273) 1.273 21.782 ( 0.000 -0.000 0.762) 0.762 22.519 ( -0.000 0.000 -0.018) 0.018 22.528 ( -0.000 0.000 -0.024) 0.024 28.198 ( 0.000 -0.000 0.275) 0.275 28.198 ( 0.000 -0.000 0.275) 0.275 28.347 ( -0.000 0.000 -0.242) 0.242 28.347 ( -0.000 0.000 -0.242) 0.242 33.421 ( -0.000 0.000 -0.022) 0.022 33.441 ( 0.000 -0.000 0.014) 0.014 36.125 ( -0.000 0.000 -1.522) 1.522 36.125 ( -0.000 0.000 -1.522) 1.522 37.249 ( 0.000 -0.000 1.874) 1.874 37.249 ( 0.000 -0.000 1.874) 1.874 41.532 ( -0.000 0.000 -0.470) 0.470 41.532 ( -0.000 0.000 -0.470) 0.470 41.979 ( 0.000 -0.000 0.727) 0.727 41.979 ( 0.000 -0.000 0.727) 0.727 44.786 ( 0.000 -0.000 3.254) 3.254 45.102 ( -0.000 0.000 -1.890) 1.890 ======================= Grid point 368 (125/125) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -1.417 -7.759 -0.570) 7.908 1.286 ( -2.739 4.783 3.539) 6.550 1.869 ( 1.565 2.521 4.910) 5.737 1.894 ( 1.833 -0.147 -8.668) 8.860 2.464 ( -2.193 -1.317 11.229) 11.516 2.572 ( 4.576 2.835 -8.986) 10.475 3.117 ( -2.010 -0.871 2.157) 3.075 3.183 ( 2.885 1.043 -2.175) 3.761 3.412 ( -9.070 -4.451 0.719) 10.129 3.503 ( -0.188 -1.223 -0.992) 1.586 3.706 ( -3.744 -2.118 -0.556) 4.337 4.000 ( 0.129 1.136 1.225) 1.675 4.045 ( 1.595 -0.065 -4.109) 4.408 4.062 ( 2.520 1.765 2.985) 4.287 4.340 ( -5.505 -3.076 1.581) 6.501 4.423 ( 1.127 0.705 -1.113) 1.734 5.235 ( -2.016 -1.089 -0.499) 2.345 5.693 ( -4.288 -1.968 1.509) 4.954 5.843 ( -6.813 -4.320 0.009) 8.068 5.924 ( -1.097 -1.249 -3.402) 3.786 6.399 ( 5.141 3.341 3.677) 7.150 6.504 ( 8.901 5.613 0.307) 10.528 6.625 ( 2.143 0.750 -3.466) 4.143 7.610 ( -0.498 -0.455 -0.603) 0.905 7.723 ( 8.455 5.126 1.457) 9.994 8.922 ( -10.606 -6.116 -0.135) 12.244 10.259 ( -15.114 -8.845 -0.107) 17.512 11.681 ( -3.344 -2.023 0.067) 3.909 11.749 ( 2.018 1.240 -0.234) 2.380 11.781 ( 0.505 0.575 -0.050) 0.767 11.819 ( 4.277 2.257 0.159) 4.839 14.005 ( -5.728 -4.029 0.368) 7.013 14.065 ( -2.108 0.002 -0.717) 2.227 14.147 ( -0.795 -0.899 0.102) 1.204 14.171 ( 0.635 0.296 0.313) 0.767 17.425 ( 8.629 5.009 -0.138) 9.979 17.675 ( 7.044 4.065 0.112) 8.134 18.640 ( -8.313 -4.800 0.495) 9.612 18.670 ( -8.684 -5.020 -0.499) 10.043 19.557 ( -0.312 0.207 -0.004) 0.375 19.562 ( 0.467 -0.114 0.017) 0.481 20.140 ( -0.801 -0.783 -0.094) 1.124 20.153 ( 0.170 0.407 0.141) 0.463 21.048 ( -7.335 -4.235 -0.202) 8.472 21.723 ( -5.428 -3.133 0.441) 6.283 22.513 ( -0.392 -0.227 -0.016) 0.454 22.528 ( 0.025 0.017 -0.006) 0.031 28.220 ( 2.366 0.472 0.168) 2.418 28.259 ( 4.805 3.840 0.070) 6.151 28.385 ( 3.697 2.100 -0.493) 4.280 28.417 ( 6.494 3.610 0.242) 7.434 33.420 ( -0.082 -0.046 -0.009) 0.095 33.440 ( -0.148 -0.087 0.007) 0.171 36.122 ( 0.051 0.234 -1.877) 1.892 36.199 ( 7.196 4.035 0.783) 8.287 37.262 ( 0.895 0.053 2.050) 2.238 37.339 ( 6.752 4.224 -1.177) 8.051 41.536 ( 0.590 0.328 0.291) 0.735 41.636 ( 9.720 5.557 -0.561) 11.210 41.979 ( -0.247 -0.486 -0.280) 0.613 42.106 ( 11.497 7.103 0.015) 13.514 44.779 ( -1.989 -1.122 1.261) 2.608 45.087 ( -0.543 -0.352 -0.832) 1.054 =================== 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 3/45927 10.0 17.271 17.271 36.618 0.000 0.000 0.000 3/45927 20.0 9.050 9.050 15.071 0.000 -0.000 0.000 3/45927 30.0 5.397 5.397 8.134 0.000 -0.000 0.000 3/45927 40.0 3.817 3.817 5.296 0.000 -0.000 0.000 3/45927 50.0 2.982 2.982 3.875 0.000 -0.000 0.000 3/45927 60.0 2.471 2.471 3.051 0.000 -0.000 0.000 3/45927 70.0 2.124 2.124 2.519 0.000 -0.000 0.000 3/45927 80.0 1.871 1.871 2.150 0.000 -0.000 0.000 3/45927 90.0 1.677 1.677 1.879 0.000 -0.000 0.000 3/45927 100.0 1.523 1.523 1.671 0.000 -0.000 0.000 3/45927 110.0 1.396 1.396 1.506 0.000 -0.000 0.000 3/45927 120.0 1.291 1.291 1.373 0.000 -0.000 0.000 3/45927 130.0 1.202 1.202 1.261 0.000 -0.000 0.000 3/45927 140.0 1.126 1.126 1.168 0.000 -0.000 0.000 3/45927 150.0 1.060 1.060 1.088 0.000 -0.000 0.000 3/45927 160.0 1.003 1.003 1.018 0.000 -0.000 0.000 3/45927 170.0 0.952 0.952 0.958 0.000 -0.000 0.000 3/45927 180.0 0.907 0.907 0.904 0.000 -0.000 0.000 3/45927 190.0 0.867 0.867 0.857 0.000 -0.000 0.000 3/45927 200.0 0.831 0.831 0.815 0.000 -0.000 0.000 3/45927 210.0 0.799 0.799 0.777 0.000 -0.000 0.000 3/45927 220.0 0.769 0.769 0.742 0.000 -0.000 0.000 3/45927 230.0 0.742 0.742 0.711 0.000 -0.000 0.000 3/45927 240.0 0.717 0.717 0.683 0.000 -0.000 0.000 3/45927 250.0 0.695 0.695 0.657 0.000 -0.000 0.000 3/45927 260.0 0.673 0.673 0.633 0.000 -0.000 0.000 3/45927 270.0 0.654 0.654 0.611 0.000 -0.000 0.000 3/45927 280.0 0.636 0.636 0.591 0.000 -0.000 0.000 3/45927 290.0 0.619 0.619 0.572 0.000 -0.000 0.000 3/45927 300.0 0.603 0.603 0.554 0.000 -0.000 0.000 3/45927 310.0 0.588 0.588 0.538 0.000 -0.000 0.000 3/45927 320.0 0.574 0.574 0.523 0.000 -0.000 0.000 3/45927 330.0 0.560 0.560 0.509 0.000 -0.000 0.000 3/45927 340.0 0.548 0.548 0.496 0.000 -0.000 0.000 3/45927 350.0 0.536 0.536 0.483 0.000 -0.000 0.000 3/45927 360.0 0.524 0.524 0.472 0.000 -0.000 0.000 3/45927 370.0 0.513 0.513 0.461 0.000 -0.000 0.000 3/45927 380.0 0.503 0.503 0.450 0.000 -0.000 0.000 3/45927 390.0 0.493 0.493 0.441 0.000 -0.000 0.000 3/45927 400.0 0.484 0.484 0.431 0.000 -0.000 0.000 3/45927 410.0 0.475 0.475 0.423 0.000 -0.000 0.000 3/45927 420.0 0.466 0.466 0.414 0.000 -0.000 0.000 3/45927 430.0 0.458 0.458 0.406 0.000 -0.000 0.000 3/45927 440.0 0.450 0.450 0.399 0.000 -0.000 0.000 3/45927 450.0 0.442 0.442 0.391 0.000 -0.000 0.000 3/45927 460.0 0.435 0.435 0.385 0.000 -0.000 0.000 3/45927 470.0 0.428 0.428 0.378 0.000 -0.000 0.000 3/45927 480.0 0.421 0.421 0.372 0.000 -0.000 0.000 3/45927 490.0 0.414 0.414 0.366 0.000 -0.000 0.000 3/45927 500.0 0.408 0.408 0.360 0.000 -0.000 0.000 3/45927 510.0 0.402 0.402 0.354 0.000 -0.000 0.000 3/45927 520.0 0.396 0.396 0.349 0.000 -0.000 0.000 3/45927 530.0 0.390 0.390 0.344 0.000 -0.000 0.000 3/45927 540.0 0.384 0.384 0.339 0.000 -0.000 0.000 3/45927 550.0 0.379 0.379 0.334 0.000 -0.000 0.000 3/45927 560.0 0.373 0.373 0.329 0.000 -0.000 0.000 3/45927 570.0 0.368 0.368 0.325 0.000 -0.000 0.000 3/45927 580.0 0.363 0.363 0.320 0.000 -0.000 0.000 3/45927 590.0 0.358 0.358 0.316 0.000 -0.000 0.000 3/45927 600.0 0.354 0.354 0.312 0.000 -0.000 0.000 3/45927 610.0 0.349 0.349 0.308 0.000 -0.000 0.000 3/45927 620.0 0.344 0.344 0.304 0.000 -0.000 0.000 3/45927 630.0 0.340 0.340 0.300 0.000 -0.000 0.000 3/45927 640.0 0.336 0.336 0.297 0.000 -0.000 0.000 3/45927 650.0 0.332 0.332 0.293 0.000 -0.000 0.000 3/45927 660.0 0.328 0.328 0.290 0.000 -0.000 0.000 3/45927 670.0 0.324 0.324 0.286 0.000 -0.000 0.000 3/45927 680.0 0.320 0.320 0.283 0.000 -0.000 0.000 3/45927 690.0 0.316 0.316 0.280 0.000 -0.000 0.000 3/45927 700.0 0.312 0.312 0.277 0.000 -0.000 0.000 3/45927 710.0 0.309 0.309 0.274 0.000 -0.000 0.000 3/45927 720.0 0.305 0.305 0.271 0.000 -0.000 0.000 3/45927 730.0 0.302 0.302 0.268 0.000 -0.000 0.000 3/45927 740.0 0.299 0.299 0.265 0.000 -0.000 0.000 3/45927 750.0 0.295 0.295 0.262 0.000 -0.000 0.000 3/45927 760.0 0.292 0.292 0.259 0.000 -0.000 0.000 3/45927 770.0 0.289 0.289 0.257 0.000 -0.000 0.000 3/45927 780.0 0.286 0.286 0.254 0.000 -0.000 0.000 3/45927 790.0 0.283 0.283 0.251 0.000 -0.000 0.000 3/45927 800.0 0.280 0.280 0.249 0.000 -0.000 0.000 3/45927 810.0 0.277 0.277 0.247 0.000 -0.000 0.000 3/45927 820.0 0.274 0.274 0.244 0.000 -0.000 0.000 3/45927 830.0 0.271 0.271 0.242 0.000 -0.000 0.000 3/45927 840.0 0.269 0.269 0.239 0.000 -0.000 0.000 3/45927 850.0 0.266 0.266 0.237 0.000 -0.000 0.000 3/45927 860.0 0.263 0.263 0.235 0.000 -0.000 0.000 3/45927 870.0 0.261 0.261 0.233 0.000 -0.000 0.000 3/45927 880.0 0.258 0.258 0.231 0.000 -0.000 0.000 3/45927 890.0 0.256 0.256 0.229 0.000 -0.000 0.000 3/45927 900.0 0.253 0.253 0.227 0.000 -0.000 0.000 3/45927 910.0 0.251 0.251 0.225 0.000 -0.000 0.000 3/45927 920.0 0.249 0.249 0.223 0.000 -0.000 0.000 3/45927 930.0 0.246 0.246 0.221 0.000 -0.000 0.000 3/45927 940.0 0.244 0.244 0.219 0.000 -0.000 0.000 3/45927 950.0 0.242 0.242 0.217 0.000 -0.000 0.000 3/45927 960.0 0.240 0.240 0.215 0.000 -0.000 0.000 3/45927 970.0 0.238 0.238 0.213 0.000 -0.000 0.000 3/45927 980.0 0.236 0.236 0.211 0.000 -0.000 0.000 3/45927 990.0 0.234 0.234 0.210 0.000 -0.000 0.000 3/45927 1000.0 0.232 0.232 0.208 0.000 -0.000 0.000 3/45927 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:53:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|