----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:33:19]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.901837920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.335806670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.696936510000000 Atomic positions (fractional): *1 O 0.07401712967629 0.25000000000000 0.92294046350961 15.999 2 O 0.92598287032371 0.75000000000000 0.07705953649039 15.999 3 O 0.57401712967629 0.25000000000000 0.57705953649039 15.999 4 O 0.42598287032371 0.75000000000000 0.42294046350961 15.999 *5 O 0.98391901941049 0.25000000000000 0.28333060172648 15.999 6 O 0.01608098058951 0.75000000000000 0.71666939827352 15.999 7 O 0.48391901941049 0.25000000000000 0.21666939827352 15.999 8 O 0.51608098058951 0.75000000000000 0.78333060172648 15.999 *9 O 0.37620426876024 0.25000000000000 0.98039648596232 15.999 10 O 0.62379573123976 0.75000000000000 0.01960351403768 15.999 11 O 0.87620426876024 0.25000000000000 0.51960351403768 15.999 12 O 0.12379573123976 0.75000000000000 0.48039648596232 15.999 *13 O 0.21086625495546 0.75000000000000 0.17162598919496 15.999 14 O 0.78913374504454 0.25000000000000 0.82837401080504 15.999 15 O 0.71086625495546 0.75000000000000 0.32837401080504 15.999 16 O 0.28913374504454 0.25000000000000 0.67162598919496 15.999 *17 Sr 0.75278004568563 0.75000000000000 0.65043286792897 87.620 18 Sr 0.24721995431437 0.25000000000000 0.34956713207103 87.620 19 Sr 0.25278004568563 0.75000000000000 0.84956713207103 87.620 20 Sr 0.74721995431437 0.25000000000000 0.15043286792897 87.620 *21 Tm 0.07739081376000 0.25000000000000 0.60968411072589 168.934 22 Tm 0.92260918624000 0.75000000000000 0.39031588927411 168.934 23 Tm 0.57739081376000 0.25000000000000 0.89031588927411 168.934 24 Tm 0.42260918624000 0.75000000000000 0.10968411072589 168.934 *25 Tm 0.42391671578731 0.75000000000000 0.61158200693424 168.934 26 Tm 0.57608328421269 0.25000000000000 0.38841799306576 168.934 27 Tm 0.92391671578731 0.75000000000000 0.88841799306576 168.934 28 Tm 0.07608328421269 0.25000000000000 0.11158200693424 168.934 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.901837920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.335806670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.696936510000000 Atomic positions (fractional): *1 O 0.07401712967629 0.25000000000000 0.92294046350961 15.999 > 1 2 O 0.92598287032371 0.75000000000000 0.07705953649039 15.999 > 2 3 O 0.57401712967629 0.25000000000000 0.57705953649039 15.999 > 3 4 O 0.42598287032371 0.75000000000000 0.42294046350961 15.999 > 4 *5 O 0.98391901941049 0.25000000000000 0.28333060172648 15.999 > 5 6 O 0.01608098058951 0.75000000000000 0.71666939827352 15.999 > 6 7 O 0.48391901941049 0.25000000000000 0.21666939827352 15.999 > 7 8 O 0.51608098058951 0.75000000000000 0.78333060172648 15.999 > 8 *9 O 0.37620426876024 0.25000000000000 0.98039648596232 15.999 > 9 10 O 0.62379573123976 0.75000000000000 0.01960351403768 15.999 > 10 11 O 0.87620426876024 0.25000000000000 0.51960351403768 15.999 > 11 12 O 0.12379573123976 0.75000000000000 0.48039648596232 15.999 > 12 *13 O 0.21086625495546 0.75000000000000 0.17162598919496 15.999 > 13 14 O 0.78913374504454 0.25000000000000 0.82837401080504 15.999 > 14 15 O 0.71086625495546 0.75000000000000 0.32837401080504 15.999 > 15 16 O 0.28913374504454 0.25000000000000 0.67162598919496 15.999 > 16 *17 Sr 0.75278004568563 0.75000000000000 0.65043286792897 87.620 > 17 18 Sr 0.24721995431437 0.25000000000000 0.34956713207103 87.620 > 18 19 Sr 0.25278004568563 0.75000000000000 0.84956713207103 87.620 > 19 20 Sr 0.74721995431437 0.25000000000000 0.15043286792897 87.620 > 20 *21 Tm 0.07739081376000 0.25000000000000 0.60968411072589 168.934 > 21 22 Tm 0.92260918624000 0.75000000000000 0.39031588927411 168.934 > 22 23 Tm 0.57739081376000 0.25000000000000 0.89031588927411 168.934 > 23 24 Tm 0.42260918624000 0.75000000000000 0.10968411072589 168.934 > 24 *25 Tm 0.42391671578731 0.75000000000000 0.61158200693424 168.934 > 25 26 Tm 0.57608328421269 0.25000000000000 0.38841799306576 168.934 > 26 27 Tm 0.92391671578731 0.75000000000000 0.88841799306576 168.934 > 27 28 Tm 0.07608328421269 0.25000000000000 0.11158200693424 168.934 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.901837920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.007420010000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.696936510000000 Atomic positions (fractional): *1 O 0.07401712967629 0.08333333333333 0.92294046350961 15.999 > 1 2 O 0.07401712967629 0.41666666666667 0.92294046350961 15.999 > 1 3 O 0.07401712967629 0.75000000000000 0.92294046350961 15.999 > 1 4 O 0.92598287032371 0.25000000000000 0.07705953649039 15.999 > 2 5 O 0.92598287032371 0.58333333333333 0.07705953649039 15.999 > 2 6 O 0.92598287032371 0.91666666666667 0.07705953649039 15.999 > 2 7 O 0.57401712967629 0.08333333333333 0.57705953649039 15.999 > 3 8 O 0.57401712967629 0.41666666666667 0.57705953649039 15.999 > 3 9 O 0.57401712967629 0.75000000000000 0.57705953649039 15.999 > 3 10 O 0.42598287032371 0.25000000000000 0.42294046350961 15.999 > 4 11 O 0.42598287032371 0.58333333333333 0.42294046350961 15.999 > 4 12 O 0.42598287032371 0.91666666666667 0.42294046350961 15.999 > 4 *13 O 0.98391901941049 0.08333333333333 0.28333060172648 15.999 > 5 14 O 0.98391901941049 0.41666666666667 0.28333060172648 15.999 > 5 15 O 0.98391901941049 0.75000000000000 0.28333060172648 15.999 > 5 16 O 0.01608098058951 0.25000000000000 0.71666939827352 15.999 > 6 17 O 0.01608098058951 0.58333333333333 0.71666939827352 15.999 > 6 18 O 0.01608098058951 0.91666666666667 0.71666939827352 15.999 > 6 19 O 0.48391901941049 0.08333333333333 0.21666939827352 15.999 > 7 20 O 0.48391901941049 0.41666666666667 0.21666939827352 15.999 > 7 21 O 0.48391901941049 0.75000000000000 0.21666939827352 15.999 > 7 22 O 0.51608098058951 0.25000000000000 0.78333060172648 15.999 > 8 23 O 0.51608098058951 0.58333333333333 0.78333060172648 15.999 > 8 24 O 0.51608098058951 0.91666666666667 0.78333060172648 15.999 > 8 *25 O 0.37620426876024 0.08333333333333 0.98039648596232 15.999 > 9 26 O 0.37620426876024 0.41666666666667 0.98039648596232 15.999 > 9 27 O 0.37620426876024 0.75000000000000 0.98039648596232 15.999 > 9 28 O 0.62379573123976 0.25000000000000 0.01960351403768 15.999 > 10 29 O 0.62379573123976 0.58333333333333 0.01960351403768 15.999 > 10 30 O 0.62379573123976 0.91666666666667 0.01960351403768 15.999 > 10 31 O 0.87620426876024 0.08333333333333 0.51960351403768 15.999 > 11 32 O 0.87620426876024 0.41666666666667 0.51960351403768 15.999 > 11 33 O 0.87620426876024 0.75000000000000 0.51960351403768 15.999 > 11 34 O 0.12379573123976 0.25000000000000 0.48039648596232 15.999 > 12 35 O 0.12379573123976 0.58333333333333 0.48039648596232 15.999 > 12 36 O 0.12379573123976 0.91666666666667 0.48039648596232 15.999 > 12 *37 O 0.21086625495546 0.25000000000000 0.17162598919496 15.999 > 13 38 O 0.21086625495546 0.58333333333333 0.17162598919496 15.999 > 13 39 O 0.21086625495546 0.91666666666667 0.17162598919496 15.999 > 13 40 O 0.78913374504454 0.08333333333333 0.82837401080504 15.999 > 14 41 O 0.78913374504454 0.41666666666667 0.82837401080504 15.999 > 14 42 O 0.78913374504454 0.75000000000000 0.82837401080504 15.999 > 14 43 O 0.71086625495546 0.25000000000000 0.32837401080504 15.999 > 15 44 O 0.71086625495546 0.58333333333333 0.32837401080504 15.999 > 15 45 O 0.71086625495546 0.91666666666667 0.32837401080504 15.999 > 15 46 O 0.28913374504454 0.08333333333333 0.67162598919496 15.999 > 16 47 O 0.28913374504454 0.41666666666667 0.67162598919496 15.999 > 16 48 O 0.28913374504454 0.75000000000000 0.67162598919496 15.999 > 16 *49 Sr 0.75278004568563 0.25000000000000 0.65043286792897 87.620 > 17 50 Sr 0.75278004568563 0.58333333333333 0.65043286792897 87.620 > 17 51 Sr 0.75278004568563 0.91666666666667 0.65043286792897 87.620 > 17 52 Sr 0.24721995431437 0.08333333333333 0.34956713207103 87.620 > 18 53 Sr 0.24721995431437 0.41666666666667 0.34956713207103 87.620 > 18 54 Sr 0.24721995431437 0.75000000000000 0.34956713207103 87.620 > 18 55 Sr 0.25278004568563 0.25000000000000 0.84956713207103 87.620 > 19 56 Sr 0.25278004568563 0.58333333333333 0.84956713207103 87.620 > 19 57 Sr 0.25278004568563 0.91666666666667 0.84956713207103 87.620 > 19 58 Sr 0.74721995431437 0.08333333333333 0.15043286792897 87.620 > 20 59 Sr 0.74721995431437 0.41666666666667 0.15043286792897 87.620 > 20 60 Sr 0.74721995431437 0.75000000000000 0.15043286792897 87.620 > 20 *61 Tm 0.07739081376000 0.08333333333333 0.60968411072589 168.934 > 21 62 Tm 0.07739081376000 0.41666666666667 0.60968411072589 168.934 > 21 63 Tm 0.07739081376000 0.75000000000000 0.60968411072589 168.934 > 21 64 Tm 0.92260918624000 0.25000000000000 0.39031588927411 168.934 > 22 65 Tm 0.92260918624000 0.58333333333333 0.39031588927411 168.934 > 22 66 Tm 0.92260918624000 0.91666666666667 0.39031588927411 168.934 > 22 67 Tm 0.57739081376000 0.08333333333333 0.89031588927411 168.934 > 23 68 Tm 0.57739081376000 0.41666666666667 0.89031588927411 168.934 > 23 69 Tm 0.57739081376000 0.75000000000000 0.89031588927411 168.934 > 23 70 Tm 0.42260918624000 0.25000000000000 0.10968411072589 168.934 > 24 71 Tm 0.42260918624000 0.58333333333333 0.10968411072589 168.934 > 24 72 Tm 0.42260918624000 0.91666666666667 0.10968411072589 168.934 > 24 *73 Tm 0.42391671578731 0.25000000000000 0.61158200693424 168.934 > 25 74 Tm 0.42391671578731 0.58333333333333 0.61158200693424 168.934 > 25 75 Tm 0.42391671578731 0.91666666666667 0.61158200693424 168.934 > 25 76 Tm 0.57608328421269 0.08333333333333 0.38841799306576 168.934 > 26 77 Tm 0.57608328421269 0.41666666666667 0.38841799306576 168.934 > 26 78 Tm 0.57608328421269 0.75000000000000 0.38841799306576 168.934 > 26 79 Tm 0.92391671578731 0.25000000000000 0.88841799306576 168.934 > 27 80 Tm 0.92391671578731 0.58333333333333 0.88841799306576 168.934 > 27 81 Tm 0.92391671578731 0.91666666666667 0.88841799306576 168.934 > 27 82 Tm 0.07608328421269 0.08333333333333 0.11158200693424 168.934 > 28 83 Tm 0.07608328421269 0.41666666666667 0.11158200693424 168.934 > 28 84 Tm 0.07608328421269 0.75000000000000 0.11158200693424 168.934 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0865343 0.0000000 0.0000000 0.0000000 4.3003713 0.0000000 0.0000000 0.0000000 4.1779203 -------------------------- Born effective charges -------------------------- 1 O -2.3428404 0.0000000 0.0220006 0.0000000 -2.6639008 0.0000000 -0.0951553 0.0000000 -2.4401943 2 O -2.3428404 0.0000000 0.0220006 0.0000000 -2.6639008 0.0000000 -0.0951553 0.0000000 -2.4401943 3 O -2.3428404 0.0000000 -0.0220006 0.0000000 -2.6639008 0.0000000 0.0951553 0.0000000 -2.4401943 4 O -2.3428404 0.0000000 -0.0220006 0.0000000 -2.6639008 0.0000000 0.0951553 0.0000000 -2.4401943 5 O -1.9780357 0.0000000 0.3758809 0.0000000 -2.5518353 0.0000000 0.5295491 0.0000000 -2.9858874 6 O -1.9780357 0.0000000 0.3758809 0.0000000 -2.5518353 0.0000000 0.5295491 0.0000000 -2.9858874 7 O -1.9780357 0.0000000 -0.3758809 0.0000000 -2.5518353 0.0000000 -0.5295491 0.0000000 -2.9858874 8 O -1.9780357 0.0000000 -0.3758809 0.0000000 -2.5518353 0.0000000 -0.5295491 0.0000000 -2.9858874 9 O -2.3358817 0.0000000 -0.0264948 0.0000000 -2.6177878 0.0000000 0.0106675 0.0000000 -2.4709556 10 O -2.3358817 0.0000000 -0.0264948 0.0000000 -2.6177878 0.0000000 0.0106675 0.0000000 -2.4709556 11 O -2.3358817 0.0000000 0.0264948 0.0000000 -2.6177878 0.0000000 -0.0106675 0.0000000 -2.4709556 12 O -2.3358817 0.0000000 0.0264948 0.0000000 -2.6177878 0.0000000 -0.0106675 0.0000000 -2.4709556 13 O -2.8568611 0.0000000 -0.0506484 0.0000000 -2.6364177 0.0000000 -0.0589072 0.0000000 -2.0210447 14 O -2.8568611 0.0000000 -0.0506484 0.0000000 -2.6364177 0.0000000 -0.0589072 0.0000000 -2.0210447 15 O -2.8568611 0.0000000 0.0506484 0.0000000 -2.6364177 0.0000000 0.0589072 0.0000000 -2.0210447 16 O -2.8568611 0.0000000 0.0506484 0.0000000 -2.6364177 0.0000000 0.0589072 0.0000000 -2.0210447 17 Sr 2.6363161 0.0000000 -0.0649268 0.0000000 2.3760881 0.0000000 -0.0562233 0.0000000 2.4666766 18 Sr 2.6363161 0.0000000 -0.0649268 0.0000000 2.3760881 0.0000000 -0.0562233 0.0000000 2.4666766 19 Sr 2.6363161 0.0000000 0.0649268 0.0000000 2.3760881 0.0000000 0.0562233 0.0000000 2.4666766 20 Sr 2.6363161 0.0000000 0.0649268 0.0000000 2.3760881 0.0000000 0.0562233 0.0000000 2.4666766 21 Tm 3.4595460 0.0000000 0.2284967 0.0000000 4.1370115 0.0000000 0.1392311 0.0000000 3.5182129 22 Tm 3.4595460 0.0000000 0.2284967 0.0000000 4.1370115 0.0000000 0.1392311 0.0000000 3.5182129 23 Tm 3.4595460 0.0000000 -0.2284967 0.0000000 4.1370115 0.0000000 -0.1392311 0.0000000 3.5182129 24 Tm 3.4595460 0.0000000 -0.2284967 0.0000000 4.1370115 0.0000000 -0.1392311 0.0000000 3.5182129 25 Tm 3.4177569 0.0000000 -0.1732755 0.0000000 3.9568420 0.0000000 -0.0785207 0.0000000 3.9331926 26 Tm 3.4177569 0.0000000 -0.1732755 0.0000000 3.9568420 0.0000000 -0.0785207 0.0000000 3.9331926 27 Tm 3.4177569 0.0000000 0.1732755 0.0000000 3.9568420 0.0000000 0.0785207 0.0000000 3.9331926 28 Tm 3.4177569 0.0000000 0.1732755 0.0000000 3.9568420 0.0000000 0.0785207 0.0000000 3.9331926 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.421 Solver_block: 200 / 480 - Time: 1.420 Solver_block: 300 / 480 - Time: 1.419 Solver_block: 400 / 480 - Time: 1.419 Solver_block: 480 / 480 - Time: 1.169 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.881 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:33:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:33:42]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.901837920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.335806670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.696936510000000 Atomic positions (fractional): 1 O 0.07401712967629 0.25000000000000 0.92294046350961 15.999 2 O 0.92598287032371 0.75000000000000 0.07705953649039 15.999 3 O 0.57401712967629 0.25000000000000 0.57705953649039 15.999 4 O 0.42598287032371 0.75000000000000 0.42294046350961 15.999 5 O 0.98391901941049 0.25000000000000 0.28333060172648 15.999 6 O 0.01608098058951 0.75000000000000 0.71666939827352 15.999 7 O 0.48391901941049 0.25000000000000 0.21666939827352 15.999 8 O 0.51608098058951 0.75000000000000 0.78333060172648 15.999 9 O 0.37620426876024 0.25000000000000 0.98039648596232 15.999 10 O 0.62379573123976 0.75000000000000 0.01960351403768 15.999 11 O 0.87620426876024 0.25000000000000 0.51960351403768 15.999 12 O 0.12379573123976 0.75000000000000 0.48039648596232 15.999 13 O 0.21086625495546 0.75000000000000 0.17162598919496 15.999 14 O 0.78913374504454 0.25000000000000 0.82837401080504 15.999 15 O 0.71086625495546 0.75000000000000 0.32837401080504 15.999 16 O 0.28913374504454 0.25000000000000 0.67162598919496 15.999 17 Sr 0.75278004568563 0.75000000000000 0.65043286792897 87.620 18 Sr 0.24721995431437 0.25000000000000 0.34956713207103 87.620 19 Sr 0.25278004568563 0.75000000000000 0.84956713207103 87.620 20 Sr 0.74721995431437 0.25000000000000 0.15043286792897 87.620 21 Tm 0.07739081376000 0.25000000000000 0.60968411072589 168.934 22 Tm 0.92260918624000 0.75000000000000 0.39031588927411 168.934 23 Tm 0.57739081376000 0.25000000000000 0.89031588927411 168.934 24 Tm 0.42260918624000 0.75000000000000 0.10968411072589 168.934 25 Tm 0.42391671578731 0.75000000000000 0.61158200693424 168.934 26 Tm 0.57608328421269 0.25000000000000 0.38841799306576 168.934 27 Tm 0.92391671578731 0.75000000000000 0.88841799306576 168.934 28 Tm 0.07608328421269 0.25000000000000 0.11158200693424 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.901837920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.007420010000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.696936510000000 Atomic positions (fractional): 1 O 0.07401712967629 0.08333333333333 0.92294046350961 15.999 > 1 2 O 0.07401712967629 0.41666666666667 0.92294046350961 15.999 > 1 3 O 0.07401712967629 0.75000000000000 0.92294046350961 15.999 > 1 4 O 0.92598287032371 0.25000000000000 0.07705953649039 15.999 > 4 5 O 0.92598287032371 0.58333333333333 0.07705953649039 15.999 > 4 6 O 0.92598287032371 0.91666666666667 0.07705953649039 15.999 > 4 7 O 0.57401712967629 0.08333333333333 0.57705953649039 15.999 > 7 8 O 0.57401712967629 0.41666666666667 0.57705953649039 15.999 > 7 9 O 0.57401712967629 0.75000000000000 0.57705953649039 15.999 > 7 10 O 0.42598287032371 0.25000000000000 0.42294046350961 15.999 > 10 11 O 0.42598287032371 0.58333333333333 0.42294046350961 15.999 > 10 12 O 0.42598287032371 0.91666666666667 0.42294046350961 15.999 > 10 13 O 0.98391901941049 0.08333333333333 0.28333060172648 15.999 > 13 14 O 0.98391901941049 0.41666666666667 0.28333060172648 15.999 > 13 15 O 0.98391901941049 0.75000000000000 0.28333060172648 15.999 > 13 16 O 0.01608098058951 0.25000000000000 0.71666939827352 15.999 > 16 17 O 0.01608098058951 0.58333333333333 0.71666939827352 15.999 > 16 18 O 0.01608098058951 0.91666666666667 0.71666939827352 15.999 > 16 19 O 0.48391901941049 0.08333333333333 0.21666939827352 15.999 > 19 20 O 0.48391901941049 0.41666666666667 0.21666939827352 15.999 > 19 21 O 0.48391901941049 0.75000000000000 0.21666939827352 15.999 > 19 22 O 0.51608098058951 0.25000000000000 0.78333060172648 15.999 > 22 23 O 0.51608098058951 0.58333333333333 0.78333060172648 15.999 > 22 24 O 0.51608098058951 0.91666666666667 0.78333060172648 15.999 > 22 25 O 0.37620426876024 0.08333333333333 0.98039648596232 15.999 > 25 26 O 0.37620426876024 0.41666666666667 0.98039648596232 15.999 > 25 27 O 0.37620426876024 0.75000000000000 0.98039648596232 15.999 > 25 28 O 0.62379573123976 0.25000000000000 0.01960351403768 15.999 > 28 29 O 0.62379573123976 0.58333333333333 0.01960351403768 15.999 > 28 30 O 0.62379573123976 0.91666666666667 0.01960351403768 15.999 > 28 31 O 0.87620426876024 0.08333333333333 0.51960351403768 15.999 > 31 32 O 0.87620426876024 0.41666666666667 0.51960351403768 15.999 > 31 33 O 0.87620426876024 0.75000000000000 0.51960351403768 15.999 > 31 34 O 0.12379573123976 0.25000000000000 0.48039648596232 15.999 > 34 35 O 0.12379573123976 0.58333333333333 0.48039648596232 15.999 > 34 36 O 0.12379573123976 0.91666666666667 0.48039648596232 15.999 > 34 37 O 0.21086625495546 0.25000000000000 0.17162598919496 15.999 > 37 38 O 0.21086625495546 0.58333333333333 0.17162598919496 15.999 > 37 39 O 0.21086625495546 0.91666666666667 0.17162598919496 15.999 > 37 40 O 0.78913374504454 0.08333333333333 0.82837401080504 15.999 > 40 41 O 0.78913374504454 0.41666666666667 0.82837401080504 15.999 > 40 42 O 0.78913374504454 0.75000000000000 0.82837401080504 15.999 > 40 43 O 0.71086625495546 0.25000000000000 0.32837401080504 15.999 > 43 44 O 0.71086625495546 0.58333333333333 0.32837401080504 15.999 > 43 45 O 0.71086625495546 0.91666666666667 0.32837401080504 15.999 > 43 46 O 0.28913374504454 0.08333333333333 0.67162598919496 15.999 > 46 47 O 0.28913374504454 0.41666666666667 0.67162598919496 15.999 > 46 48 O 0.28913374504454 0.75000000000000 0.67162598919496 15.999 > 46 49 Sr 0.75278004568563 0.25000000000000 0.65043286792897 87.620 > 49 50 Sr 0.75278004568563 0.58333333333333 0.65043286792897 87.620 > 49 51 Sr 0.75278004568563 0.91666666666667 0.65043286792897 87.620 > 49 52 Sr 0.24721995431437 0.08333333333333 0.34956713207103 87.620 > 52 53 Sr 0.24721995431437 0.41666666666667 0.34956713207103 87.620 > 52 54 Sr 0.24721995431437 0.75000000000000 0.34956713207103 87.620 > 52 55 Sr 0.25278004568563 0.25000000000000 0.84956713207103 87.620 > 55 56 Sr 0.25278004568563 0.58333333333333 0.84956713207103 87.620 > 55 57 Sr 0.25278004568563 0.91666666666667 0.84956713207103 87.620 > 55 58 Sr 0.74721995431437 0.08333333333333 0.15043286792897 87.620 > 58 59 Sr 0.74721995431437 0.41666666666667 0.15043286792897 87.620 > 58 60 Sr 0.74721995431437 0.75000000000000 0.15043286792897 87.620 > 58 61 Tm 0.07739081376000 0.08333333333333 0.60968411072589 168.934 > 61 62 Tm 0.07739081376000 0.41666666666667 0.60968411072589 168.934 > 61 63 Tm 0.07739081376000 0.75000000000000 0.60968411072589 168.934 > 61 64 Tm 0.92260918624000 0.25000000000000 0.39031588927411 168.934 > 64 65 Tm 0.92260918624000 0.58333333333333 0.39031588927411 168.934 > 64 66 Tm 0.92260918624000 0.91666666666667 0.39031588927411 168.934 > 64 67 Tm 0.57739081376000 0.08333333333333 0.89031588927411 168.934 > 67 68 Tm 0.57739081376000 0.41666666666667 0.89031588927411 168.934 > 67 69 Tm 0.57739081376000 0.75000000000000 0.89031588927411 168.934 > 67 70 Tm 0.42260918624000 0.25000000000000 0.10968411072589 168.934 > 70 71 Tm 0.42260918624000 0.58333333333333 0.10968411072589 168.934 > 70 72 Tm 0.42260918624000 0.91666666666667 0.10968411072589 168.934 > 70 73 Tm 0.42391671578731 0.25000000000000 0.61158200693424 168.934 > 73 74 Tm 0.42391671578731 0.58333333333333 0.61158200693424 168.934 > 73 75 Tm 0.42391671578731 0.91666666666667 0.61158200693424 168.934 > 73 76 Tm 0.57608328421269 0.08333333333333 0.38841799306576 168.934 > 76 77 Tm 0.57608328421269 0.41666666666667 0.38841799306576 168.934 > 76 78 Tm 0.57608328421269 0.75000000000000 0.38841799306576 168.934 > 76 79 Tm 0.92391671578731 0.25000000000000 0.88841799306576 168.934 > 79 80 Tm 0.92391671578731 0.58333333333333 0.88841799306576 168.934 > 79 81 Tm 0.92391671578731 0.91666666666667 0.88841799306576 168.934 > 79 82 Tm 0.07608328421269 0.08333333333333 0.11158200693424 168.934 > 82 83 Tm 0.07608328421269 0.41666666666667 0.11158200693424 168.934 > 82 84 Tm 0.07608328421269 0.75000000000000 0.11158200693424 168.934 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0865343 0.0000000 0.0000000 0.0000000 4.3003713 0.0000000 0.0000000 0.0000000 4.1779203 -------------------------- Born effective charges -------------------------- 1 O -2.3428404 0.0000000 0.0220006 0.0000000 -2.6639008 0.0000000 -0.0951553 0.0000000 -2.4401943 2 O -2.3428404 0.0000000 0.0220006 0.0000000 -2.6639008 0.0000000 -0.0951553 0.0000000 -2.4401943 3 O -2.3428404 0.0000000 -0.0220006 0.0000000 -2.6639008 0.0000000 0.0951553 0.0000000 -2.4401943 4 O -2.3428404 0.0000000 -0.0220006 0.0000000 -2.6639008 0.0000000 0.0951553 0.0000000 -2.4401943 5 O -1.9780357 0.0000000 0.3758809 0.0000000 -2.5518353 0.0000000 0.5295491 0.0000000 -2.9858874 6 O -1.9780357 0.0000000 0.3758809 0.0000000 -2.5518353 0.0000000 0.5295491 0.0000000 -2.9858874 7 O -1.9780357 0.0000000 -0.3758809 0.0000000 -2.5518353 0.0000000 -0.5295491 0.0000000 -2.9858874 8 O -1.9780357 0.0000000 -0.3758809 0.0000000 -2.5518353 0.0000000 -0.5295491 0.0000000 -2.9858874 9 O -2.3358817 0.0000000 -0.0264948 0.0000000 -2.6177878 0.0000000 0.0106675 0.0000000 -2.4709556 10 O -2.3358817 0.0000000 -0.0264948 0.0000000 -2.6177878 0.0000000 0.0106675 0.0000000 -2.4709556 11 O -2.3358817 0.0000000 0.0264948 0.0000000 -2.6177878 0.0000000 -0.0106675 0.0000000 -2.4709556 12 O -2.3358817 0.0000000 0.0264948 0.0000000 -2.6177878 0.0000000 -0.0106675 0.0000000 -2.4709556 13 O -2.8568611 0.0000000 -0.0506484 0.0000000 -2.6364177 0.0000000 -0.0589072 0.0000000 -2.0210447 14 O -2.8568611 0.0000000 -0.0506484 0.0000000 -2.6364177 0.0000000 -0.0589072 0.0000000 -2.0210447 15 O -2.8568611 0.0000000 0.0506484 0.0000000 -2.6364177 0.0000000 0.0589072 0.0000000 -2.0210447 16 O -2.8568611 0.0000000 0.0506484 0.0000000 -2.6364177 0.0000000 0.0589072 0.0000000 -2.0210447 17 Sr 2.6363161 0.0000000 -0.0649268 0.0000000 2.3760881 0.0000000 -0.0562233 0.0000000 2.4666766 18 Sr 2.6363161 0.0000000 -0.0649268 0.0000000 2.3760881 0.0000000 -0.0562233 0.0000000 2.4666766 19 Sr 2.6363161 0.0000000 0.0649268 0.0000000 2.3760881 0.0000000 0.0562233 0.0000000 2.4666766 20 Sr 2.6363161 0.0000000 0.0649268 0.0000000 2.3760881 0.0000000 0.0562233 0.0000000 2.4666766 21 Tm 3.4595460 0.0000000 0.2284967 0.0000000 4.1370115 0.0000000 0.1392311 0.0000000 3.5182129 22 Tm 3.4595460 0.0000000 0.2284967 0.0000000 4.1370115 0.0000000 0.1392311 0.0000000 3.5182129 23 Tm 3.4595460 0.0000000 -0.2284967 0.0000000 4.1370115 0.0000000 -0.1392311 0.0000000 3.5182129 24 Tm 3.4595460 0.0000000 -0.2284967 0.0000000 4.1370115 0.0000000 -0.1392311 0.0000000 3.5182129 25 Tm 3.4177569 0.0000000 -0.1732755 0.0000000 3.9568420 0.0000000 -0.0785207 0.0000000 3.9331926 26 Tm 3.4177569 0.0000000 -0.1732755 0.0000000 3.9568420 0.0000000 -0.0785207 0.0000000 3.9331926 27 Tm 3.4177569 0.0000000 0.1732755 0.0000000 3.9568420 0.0000000 0.0785207 0.0000000 3.9331926 28 Tm 3.4177569 0.0000000 0.1732755 0.0000000 3.9568420 0.0000000 0.0785207 0.0000000 3.9331926 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 19:33:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:33:58]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.901837920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.335806670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.696936510000000 Atomic positions (fractional): 1 O 0.07401712967629 0.25000000000000 0.92294046350961 15.999 2 O 0.92598287032371 0.75000000000000 0.07705953649039 15.999 3 O 0.57401712967629 0.25000000000000 0.57705953649039 15.999 4 O 0.42598287032371 0.75000000000000 0.42294046350961 15.999 5 O 0.98391901941049 0.25000000000000 0.28333060172648 15.999 6 O 0.01608098058951 0.75000000000000 0.71666939827352 15.999 7 O 0.48391901941049 0.25000000000000 0.21666939827352 15.999 8 O 0.51608098058951 0.75000000000000 0.78333060172648 15.999 9 O 0.37620426876024 0.25000000000000 0.98039648596232 15.999 10 O 0.62379573123976 0.75000000000000 0.01960351403768 15.999 11 O 0.87620426876024 0.25000000000000 0.51960351403768 15.999 12 O 0.12379573123976 0.75000000000000 0.48039648596232 15.999 13 O 0.21086625495546 0.75000000000000 0.17162598919496 15.999 14 O 0.78913374504454 0.25000000000000 0.82837401080504 15.999 15 O 0.71086625495546 0.75000000000000 0.32837401080504 15.999 16 O 0.28913374504454 0.25000000000000 0.67162598919496 15.999 17 Sr 0.75278004568563 0.75000000000000 0.65043286792897 87.620 18 Sr 0.24721995431437 0.25000000000000 0.34956713207103 87.620 19 Sr 0.25278004568563 0.75000000000000 0.84956713207103 87.620 20 Sr 0.74721995431437 0.25000000000000 0.15043286792897 87.620 21 Tm 0.07739081376000 0.25000000000000 0.60968411072589 168.934 22 Tm 0.92260918624000 0.75000000000000 0.39031588927411 168.934 23 Tm 0.57739081376000 0.25000000000000 0.89031588927411 168.934 24 Tm 0.42260918624000 0.75000000000000 0.10968411072589 168.934 25 Tm 0.42391671578731 0.75000000000000 0.61158200693424 168.934 26 Tm 0.57608328421269 0.25000000000000 0.38841799306576 168.934 27 Tm 0.92391671578731 0.75000000000000 0.88841799306576 168.934 28 Tm 0.07608328421269 0.25000000000000 0.11158200693424 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.901837920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.007420010000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.696936510000000 Atomic positions (fractional): 1 O 0.07401712967629 0.08333333333333 0.92294046350961 15.999 > 1 2 O 0.07401712967629 0.41666666666667 0.92294046350961 15.999 > 1 3 O 0.07401712967629 0.75000000000000 0.92294046350961 15.999 > 1 4 O 0.92598287032371 0.25000000000000 0.07705953649039 15.999 > 4 5 O 0.92598287032371 0.58333333333333 0.07705953649039 15.999 > 4 6 O 0.92598287032371 0.91666666666667 0.07705953649039 15.999 > 4 7 O 0.57401712967629 0.08333333333333 0.57705953649039 15.999 > 7 8 O 0.57401712967629 0.41666666666667 0.57705953649039 15.999 > 7 9 O 0.57401712967629 0.75000000000000 0.57705953649039 15.999 > 7 10 O 0.42598287032371 0.25000000000000 0.42294046350961 15.999 > 10 11 O 0.42598287032371 0.58333333333333 0.42294046350961 15.999 > 10 12 O 0.42598287032371 0.91666666666667 0.42294046350961 15.999 > 10 13 O 0.98391901941049 0.08333333333333 0.28333060172648 15.999 > 13 14 O 0.98391901941049 0.41666666666667 0.28333060172648 15.999 > 13 15 O 0.98391901941049 0.75000000000000 0.28333060172648 15.999 > 13 16 O 0.01608098058951 0.25000000000000 0.71666939827352 15.999 > 16 17 O 0.01608098058951 0.58333333333333 0.71666939827352 15.999 > 16 18 O 0.01608098058951 0.91666666666667 0.71666939827352 15.999 > 16 19 O 0.48391901941049 0.08333333333333 0.21666939827352 15.999 > 19 20 O 0.48391901941049 0.41666666666667 0.21666939827352 15.999 > 19 21 O 0.48391901941049 0.75000000000000 0.21666939827352 15.999 > 19 22 O 0.51608098058951 0.25000000000000 0.78333060172648 15.999 > 22 23 O 0.51608098058951 0.58333333333333 0.78333060172648 15.999 > 22 24 O 0.51608098058951 0.91666666666667 0.78333060172648 15.999 > 22 25 O 0.37620426876024 0.08333333333333 0.98039648596232 15.999 > 25 26 O 0.37620426876024 0.41666666666667 0.98039648596232 15.999 > 25 27 O 0.37620426876024 0.75000000000000 0.98039648596232 15.999 > 25 28 O 0.62379573123976 0.25000000000000 0.01960351403768 15.999 > 28 29 O 0.62379573123976 0.58333333333333 0.01960351403768 15.999 > 28 30 O 0.62379573123976 0.91666666666667 0.01960351403768 15.999 > 28 31 O 0.87620426876024 0.08333333333333 0.51960351403768 15.999 > 31 32 O 0.87620426876024 0.41666666666667 0.51960351403768 15.999 > 31 33 O 0.87620426876024 0.75000000000000 0.51960351403768 15.999 > 31 34 O 0.12379573123976 0.25000000000000 0.48039648596232 15.999 > 34 35 O 0.12379573123976 0.58333333333333 0.48039648596232 15.999 > 34 36 O 0.12379573123976 0.91666666666667 0.48039648596232 15.999 > 34 37 O 0.21086625495546 0.25000000000000 0.17162598919496 15.999 > 37 38 O 0.21086625495546 0.58333333333333 0.17162598919496 15.999 > 37 39 O 0.21086625495546 0.91666666666667 0.17162598919496 15.999 > 37 40 O 0.78913374504454 0.08333333333333 0.82837401080504 15.999 > 40 41 O 0.78913374504454 0.41666666666667 0.82837401080504 15.999 > 40 42 O 0.78913374504454 0.75000000000000 0.82837401080504 15.999 > 40 43 O 0.71086625495546 0.25000000000000 0.32837401080504 15.999 > 43 44 O 0.71086625495546 0.58333333333333 0.32837401080504 15.999 > 43 45 O 0.71086625495546 0.91666666666667 0.32837401080504 15.999 > 43 46 O 0.28913374504454 0.08333333333333 0.67162598919496 15.999 > 46 47 O 0.28913374504454 0.41666666666667 0.67162598919496 15.999 > 46 48 O 0.28913374504454 0.75000000000000 0.67162598919496 15.999 > 46 49 Sr 0.75278004568563 0.25000000000000 0.65043286792897 87.620 > 49 50 Sr 0.75278004568563 0.58333333333333 0.65043286792897 87.620 > 49 51 Sr 0.75278004568563 0.91666666666667 0.65043286792897 87.620 > 49 52 Sr 0.24721995431437 0.08333333333333 0.34956713207103 87.620 > 52 53 Sr 0.24721995431437 0.41666666666667 0.34956713207103 87.620 > 52 54 Sr 0.24721995431437 0.75000000000000 0.34956713207103 87.620 > 52 55 Sr 0.25278004568563 0.25000000000000 0.84956713207103 87.620 > 55 56 Sr 0.25278004568563 0.58333333333333 0.84956713207103 87.620 > 55 57 Sr 0.25278004568563 0.91666666666667 0.84956713207103 87.620 > 55 58 Sr 0.74721995431437 0.08333333333333 0.15043286792897 87.620 > 58 59 Sr 0.74721995431437 0.41666666666667 0.15043286792897 87.620 > 58 60 Sr 0.74721995431437 0.75000000000000 0.15043286792897 87.620 > 58 61 Tm 0.07739081376000 0.08333333333333 0.60968411072589 168.934 > 61 62 Tm 0.07739081376000 0.41666666666667 0.60968411072589 168.934 > 61 63 Tm 0.07739081376000 0.75000000000000 0.60968411072589 168.934 > 61 64 Tm 0.92260918624000 0.25000000000000 0.39031588927411 168.934 > 64 65 Tm 0.92260918624000 0.58333333333333 0.39031588927411 168.934 > 64 66 Tm 0.92260918624000 0.91666666666667 0.39031588927411 168.934 > 64 67 Tm 0.57739081376000 0.08333333333333 0.89031588927411 168.934 > 67 68 Tm 0.57739081376000 0.41666666666667 0.89031588927411 168.934 > 67 69 Tm 0.57739081376000 0.75000000000000 0.89031588927411 168.934 > 67 70 Tm 0.42260918624000 0.25000000000000 0.10968411072589 168.934 > 70 71 Tm 0.42260918624000 0.58333333333333 0.10968411072589 168.934 > 70 72 Tm 0.42260918624000 0.91666666666667 0.10968411072589 168.934 > 70 73 Tm 0.42391671578731 0.25000000000000 0.61158200693424 168.934 > 73 74 Tm 0.42391671578731 0.58333333333333 0.61158200693424 168.934 > 73 75 Tm 0.42391671578731 0.91666666666667 0.61158200693424 168.934 > 73 76 Tm 0.57608328421269 0.08333333333333 0.38841799306576 168.934 > 76 77 Tm 0.57608328421269 0.41666666666667 0.38841799306576 168.934 > 76 78 Tm 0.57608328421269 0.75000000000000 0.38841799306576 168.934 > 76 79 Tm 0.92391671578731 0.25000000000000 0.88841799306576 168.934 > 79 80 Tm 0.92391671578731 0.58333333333333 0.88841799306576 168.934 > 79 81 Tm 0.92391671578731 0.91666666666667 0.88841799306576 168.934 > 79 82 Tm 0.07608328421269 0.08333333333333 0.11158200693424 168.934 > 82 83 Tm 0.07608328421269 0.41666666666667 0.11158200693424 168.934 > 82 84 Tm 0.07608328421269 0.75000000000000 0.11158200693424 168.934 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0865343 0.0000000 0.0000000 0.0000000 4.3003713 0.0000000 0.0000000 0.0000000 4.1779203 -------------------------- Born effective charges -------------------------- 1 O -2.3428404 0.0000000 0.0220006 0.0000000 -2.6639008 0.0000000 -0.0951553 0.0000000 -2.4401943 2 O -2.3428404 0.0000000 0.0220006 0.0000000 -2.6639008 0.0000000 -0.0951553 0.0000000 -2.4401943 3 O -2.3428404 0.0000000 -0.0220006 0.0000000 -2.6639008 0.0000000 0.0951553 0.0000000 -2.4401943 4 O -2.3428404 0.0000000 -0.0220006 0.0000000 -2.6639008 0.0000000 0.0951553 0.0000000 -2.4401943 5 O -1.9780357 0.0000000 0.3758809 0.0000000 -2.5518353 0.0000000 0.5295491 0.0000000 -2.9858874 6 O -1.9780357 0.0000000 0.3758809 0.0000000 -2.5518353 0.0000000 0.5295491 0.0000000 -2.9858874 7 O -1.9780357 0.0000000 -0.3758809 0.0000000 -2.5518353 0.0000000 -0.5295491 0.0000000 -2.9858874 8 O -1.9780357 0.0000000 -0.3758809 0.0000000 -2.5518353 0.0000000 -0.5295491 0.0000000 -2.9858874 9 O -2.3358817 0.0000000 -0.0264948 0.0000000 -2.6177878 0.0000000 0.0106675 0.0000000 -2.4709556 10 O -2.3358817 0.0000000 -0.0264948 0.0000000 -2.6177878 0.0000000 0.0106675 0.0000000 -2.4709556 11 O -2.3358817 0.0000000 0.0264948 0.0000000 -2.6177878 0.0000000 -0.0106675 0.0000000 -2.4709556 12 O -2.3358817 0.0000000 0.0264948 0.0000000 -2.6177878 0.0000000 -0.0106675 0.0000000 -2.4709556 13 O -2.8568611 0.0000000 -0.0506484 0.0000000 -2.6364177 0.0000000 -0.0589072 0.0000000 -2.0210447 14 O -2.8568611 0.0000000 -0.0506484 0.0000000 -2.6364177 0.0000000 -0.0589072 0.0000000 -2.0210447 15 O -2.8568611 0.0000000 0.0506484 0.0000000 -2.6364177 0.0000000 0.0589072 0.0000000 -2.0210447 16 O -2.8568611 0.0000000 0.0506484 0.0000000 -2.6364177 0.0000000 0.0589072 0.0000000 -2.0210447 17 Sr 2.6363161 0.0000000 -0.0649268 0.0000000 2.3760881 0.0000000 -0.0562233 0.0000000 2.4666766 18 Sr 2.6363161 0.0000000 -0.0649268 0.0000000 2.3760881 0.0000000 -0.0562233 0.0000000 2.4666766 19 Sr 2.6363161 0.0000000 0.0649268 0.0000000 2.3760881 0.0000000 0.0562233 0.0000000 2.4666766 20 Sr 2.6363161 0.0000000 0.0649268 0.0000000 2.3760881 0.0000000 0.0562233 0.0000000 2.4666766 21 Tm 3.4595460 0.0000000 0.2284967 0.0000000 4.1370115 0.0000000 0.1392311 0.0000000 3.5182129 22 Tm 3.4595460 0.0000000 0.2284967 0.0000000 4.1370115 0.0000000 0.1392311 0.0000000 3.5182129 23 Tm 3.4595460 0.0000000 -0.2284967 0.0000000 4.1370115 0.0000000 -0.1392311 0.0000000 3.5182129 24 Tm 3.4595460 0.0000000 -0.2284967 0.0000000 4.1370115 0.0000000 -0.1392311 0.0000000 3.5182129 25 Tm 3.4177569 0.0000000 -0.1732755 0.0000000 3.9568420 0.0000000 -0.0785207 0.0000000 3.9331926 26 Tm 3.4177569 0.0000000 -0.1732755 0.0000000 3.9568420 0.0000000 -0.0785207 0.0000000 3.9331926 27 Tm 3.4177569 0.0000000 0.1732755 0.0000000 3.9568420 0.0000000 0.0785207 0.0000000 3.9331926 28 Tm 3.4177569 0.0000000 0.1732755 0.0000000 3.9568420 0.0000000 0.0785207 0.0000000 3.9331926 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 15 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.323 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.074 ( 0.000 0.000 0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.855 ( 0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 8.024 ( 0.000 0.000 0.000) 0.000 8.322 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.460 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 8.885 ( 0.000 0.000 0.000) 0.000 8.904 ( 0.000 0.000 0.000) 0.000 8.933 ( 0.000 0.000 0.000) 0.000 9.042 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 0.000) 0.000 9.900 ( 0.000 0.000 0.000) 0.000 9.946 ( 0.000 0.000 0.000) 0.000 10.053 ( 0.000 0.000 0.000) 0.000 10.366 ( 0.000 0.000 0.000) 0.000 10.677 ( 0.000 0.000 0.000) 0.000 10.747 ( 0.000 0.000 0.000) 0.000 10.748 ( 0.000 0.000 0.000) 0.000 10.818 ( 0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 11.481 ( 0.000 0.000 0.000) 0.000 11.547 ( 0.000 0.000 0.000) 0.000 11.601 ( 0.000 0.000 0.000) 0.000 11.767 ( 0.000 0.000 0.000) 0.000 12.394 ( 0.000 0.000 0.000) 0.000 12.789 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 12.858 ( 0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 0.000) 0.000 12.890 ( 0.000 0.000 0.000) 0.000 13.296 ( 0.000 0.000 0.000) 0.000 13.346 ( 0.000 0.000 0.000) 0.000 13.472 ( 0.000 0.000 0.000) 0.000 14.263 ( 0.000 0.000 0.000) 0.000 14.296 ( 0.000 0.000 0.000) 0.000 14.556 ( 0.000 0.000 0.000) 0.000 14.782 ( 0.000 0.000 0.000) 0.000 16.295 ( 0.000 0.000 0.000) 0.000 16.533 ( 0.000 0.000 0.000) 0.000 16.790 ( 0.000 0.000 0.000) 0.000 17.907 ( 0.000 0.000 0.000) 0.000 18.053 ( 0.000 0.000 0.000) 0.000 18.269 ( 0.000 0.000 0.000) 0.000 18.493 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 26.843 0.000 0.000) 26.843 0.565 ( 27.334 0.000 0.000) 27.334 0.935 ( 46.067 0.000 0.000) 46.067 1.759 ( -3.087 0.000 0.000) 3.087 1.925 ( -13.636 0.000 0.000) 13.636 2.048 ( -7.543 0.000 0.000) 7.543 2.169 ( 12.518 0.000 0.000) 12.518 2.244 ( -5.529 0.000 0.000) 5.529 2.266 ( 0.871 0.000 0.000) 0.871 2.418 ( 3.814 0.000 0.000) 3.814 2.551 ( 2.405 0.000 0.000) 2.405 2.622 ( 1.888 0.000 0.000) 1.888 2.662 ( -1.563 0.000 0.000) 1.563 2.754 ( -5.224 0.000 0.000) 5.224 2.823 ( 2.802 0.000 0.000) 2.802 2.884 ( 0.349 0.000 0.000) 0.349 3.020 ( -1.395 0.000 0.000) 1.395 3.026 ( 4.678 0.000 0.000) 4.678 3.055 ( -2.599 0.000 0.000) 2.599 3.255 ( -1.872 0.000 0.000) 1.872 3.373 ( -2.509 0.000 0.000) 2.509 3.403 ( 1.864 0.000 0.000) 1.864 3.598 ( -13.621 0.000 0.000) 13.621 3.753 ( 2.707 0.000 0.000) 2.707 4.203 ( 7.927 0.000 0.000) 7.927 4.436 ( -15.537 0.000 0.000) 15.537 4.503 ( 10.157 0.000 0.000) 10.157 4.857 ( -14.999 0.000 0.000) 14.999 5.008 ( -0.093 0.000 0.000) 0.093 5.013 ( -5.993 0.000 0.000) 5.993 5.357 ( 6.207 0.000 0.000) 6.207 5.598 ( 0.872 0.000 0.000) 0.872 5.600 ( -2.099 0.000 0.000) 2.099 5.648 ( -4.371 0.000 0.000) 4.371 5.968 ( 5.726 0.000 0.000) 5.726 6.035 ( 2.506 0.000 0.000) 2.506 6.295 ( 3.416 0.000 0.000) 3.416 6.659 ( 12.042 0.000 0.000) 12.042 6.941 ( -16.010 0.000 0.000) 16.010 7.362 ( -2.232 0.000 0.000) 2.232 8.041 ( 1.654 0.000 0.000) 1.654 8.293 ( -4.697 0.000 0.000) 4.697 8.465 ( 7.352 0.000 0.000) 7.352 8.496 ( 3.549 0.000 0.000) 3.549 8.648 ( 0.169 0.000 0.000) 0.169 8.795 ( -5.412 0.000 0.000) 5.412 8.889 ( -1.767 0.000 0.000) 1.767 8.896 ( -4.010 0.000 0.000) 4.010 9.175 ( 9.513 0.000 0.000) 9.513 9.391 ( 5.750 0.000 0.000) 5.750 9.857 ( -3.735 0.000 0.000) 3.735 10.008 ( -4.289 0.000 0.000) 4.289 10.151 ( 18.605 0.000 0.000) 18.605 10.384 ( 2.324 0.000 0.000) 2.324 10.689 ( 1.083 0.000 0.000) 1.083 10.741 ( -6.453 0.000 0.000) 6.453 10.746 ( -0.308 0.000 0.000) 0.308 10.759 ( 1.908 0.000 0.000) 1.908 11.489 ( 0.741 0.000 0.000) 0.741 11.543 ( -0.474 0.000 0.000) 0.474 11.559 ( 9.505 0.000 0.000) 9.505 11.694 ( 7.715 0.000 0.000) 7.715 11.726 ( -2.333 0.000 0.000) 2.333 12.275 ( -15.746 0.000 0.000) 15.746 12.364 ( -3.078 0.000 0.000) 3.078 12.719 ( -10.282 0.000 0.000) 10.282 12.841 ( 0.127 0.000 0.000) 0.127 12.856 ( -0.213 0.000 0.000) 0.213 12.888 ( 0.021 0.000 0.000) 0.021 12.889 ( -0.007 0.000 0.000) 0.007 13.288 ( -0.497 0.000 0.000) 0.497 13.313 ( -1.431 0.000 0.000) 1.431 14.185 ( 0.085 0.000 0.000) 0.085 14.244 ( -1.625 0.000 0.000) 1.625 14.587 ( 2.755 0.000 0.000) 2.755 14.765 ( -1.624 0.000 0.000) 1.624 16.299 ( 5.306 0.000 0.000) 5.306 16.540 ( 0.200 0.000 0.000) 0.200 16.805 ( 1.436 0.000 0.000) 1.436 16.856 ( -0.039 0.000 0.000) 0.039 17.975 ( 0.865 0.000 0.000) 0.865 18.048 ( -0.574 0.000 0.000) 0.574 18.279 ( 0.894 0.000 0.000) 0.894 18.444 ( -4.259 0.000 0.000) 4.259 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 24.932 0.000 0.000) 24.932 1.091 ( 24.429 0.000 0.000) 24.429 1.532 ( -18.384 0.000 0.000) 18.384 1.551 ( -21.642 0.000 0.000) 21.642 1.843 ( 42.837 0.000 0.000) 42.837 2.015 ( 3.607 0.000 0.000) 3.607 2.122 ( -6.165 0.000 0.000) 6.165 2.312 ( 2.882 0.000 0.000) 2.882 2.374 ( 2.595 0.000 0.000) 2.595 2.511 ( 5.292 0.000 0.000) 5.292 2.601 ( 2.319 0.000 0.000) 2.319 2.616 ( -3.546 0.000 0.000) 3.546 2.629 ( -28.689 0.000 0.000) 28.689 2.648 ( -3.496 0.000 0.000) 3.496 2.714 ( 9.394 0.000 0.000) 9.394 2.903 ( 4.228 0.000 0.000) 4.228 2.935 ( -9.686 0.000 0.000) 9.686 2.976 ( -2.924 0.000 0.000) 2.924 3.120 ( 4.449 0.000 0.000) 4.449 3.201 ( -3.439 0.000 0.000) 3.439 3.237 ( -1.470 0.000 0.000) 1.470 3.311 ( -6.843 0.000 0.000) 6.843 3.654 ( 14.804 0.000 0.000) 14.804 3.998 ( 3.282 0.000 0.000) 3.282 4.056 ( -3.852 0.000 0.000) 3.852 4.423 ( 11.643 0.000 0.000) 11.643 4.450 ( -20.412 0.000 0.000) 20.412 4.644 ( -6.268 0.000 0.000) 6.268 4.932 ( 3.674 0.000 0.000) 3.674 5.024 ( -1.014 0.000 0.000) 1.014 5.382 ( -0.948 0.000 0.000) 0.948 5.438 ( -6.845 0.000 0.000) 6.845 5.655 ( 3.297 0.000 0.000) 3.297 5.681 ( 1.034 0.000 0.000) 1.034 6.058 ( 2.945 0.000 0.000) 2.945 6.077 ( 0.979 0.000 0.000) 0.979 6.430 ( 8.890 0.000 0.000) 8.890 6.645 ( -12.643 0.000 0.000) 12.643 6.926 ( 14.011 0.000 0.000) 14.011 7.200 ( -12.162 0.000 0.000) 12.162 8.094 ( 3.620 0.000 0.000) 3.620 8.185 ( -5.303 0.000 0.000) 5.303 8.603 ( 6.875 0.000 0.000) 6.875 8.647 ( 8.798 0.000 0.000) 8.798 8.662 ( 1.297 0.000 0.000) 1.297 8.706 ( -3.236 0.000 0.000) 3.236 8.772 ( -7.209 0.000 0.000) 7.209 8.817 ( -5.629 0.000 0.000) 5.629 9.369 ( 8.818 0.000 0.000) 8.818 9.476 ( 0.036 0.000 0.000) 0.036 9.803 ( 0.575 0.000 0.000) 0.575 9.893 ( -6.415 0.000 0.000) 6.415 10.468 ( 5.688 0.000 0.000) 5.688 10.573 ( 18.977 0.000 0.000) 18.977 10.599 ( -7.019 0.000 0.000) 7.019 10.714 ( 1.224 0.000 0.000) 1.224 10.735 ( -0.783 0.000 0.000) 0.783 10.780 ( -1.869 0.000 0.000) 1.869 11.508 ( 1.061 0.000 0.000) 1.061 11.529 ( -0.896 0.000 0.000) 0.896 11.616 ( 0.738 0.000 0.000) 0.738 11.750 ( -7.927 0.000 0.000) 7.927 11.896 ( 15.557 0.000 0.000) 15.557 12.044 ( -0.951 0.000 0.000) 0.951 12.273 ( -4.878 0.000 0.000) 4.878 12.394 ( -17.958 0.000 0.000) 17.958 12.845 ( 0.245 0.000 0.000) 0.245 12.850 ( -0.296 0.000 0.000) 0.296 12.889 ( 0.031 0.000 0.000) 0.031 12.889 ( -0.024 0.000 0.000) 0.024 13.289 ( 0.657 0.000 0.000) 0.657 13.303 ( -0.401 0.000 0.000) 0.401 14.189 ( 0.523 0.000 0.000) 0.523 14.210 ( -1.506 0.000 0.000) 1.506 14.653 ( 3.481 0.000 0.000) 3.481 14.719 ( -2.883 0.000 0.000) 2.883 16.423 ( 6.110 0.000 0.000) 6.110 16.517 ( -2.848 0.000 0.000) 2.848 16.836 ( 1.307 0.000 0.000) 1.307 16.852 ( -0.354 0.000 0.000) 0.354 17.999 ( 1.450 0.000 0.000) 1.450 18.028 ( -1.304 0.000 0.000) 1.304 18.303 ( 1.591 0.000 0.000) 1.591 18.355 ( -3.760 0.000 0.000) 3.760 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.000 27.760 0.000) 27.760 0.614 ( 0.000 30.200 0.000) 30.200 1.151 ( 0.000 56.920 0.000) 56.920 1.999 ( 0.000 3.427 0.000) 3.427 2.010 ( 0.000 21.819 0.000) 21.819 2.075 ( 0.000 5.047 0.000) 5.047 2.287 ( 0.000 2.431 0.000) 2.431 2.351 ( 0.000 17.047 0.000) 17.047 2.453 ( 0.000 6.859 0.000) 6.859 2.526 ( 0.000 18.819 0.000) 18.819 2.639 ( 0.000 10.783 0.000) 10.783 2.724 ( 0.000 10.014 0.000) 10.014 2.786 ( 0.000 12.936 0.000) 12.936 2.840 ( 0.000 4.082 0.000) 4.082 2.847 ( 0.000 0.568 0.000) 0.568 3.000 ( 0.000 15.186 0.000) 15.186 3.010 ( 0.000 13.239 0.000) 13.239 3.184 ( 0.000 13.658 0.000) 13.658 3.322 ( 0.000 17.711 0.000) 17.711 3.324 ( 0.000 -0.364 0.000) 0.364 3.388 ( 0.000 0.846 0.000) 0.846 3.463 ( 0.000 18.044 0.000) 18.044 3.785 ( 0.000 -0.998 0.000) 0.998 3.839 ( 0.000 4.602 0.000) 4.602 4.121 ( 0.000 4.796 0.000) 4.796 4.419 ( 0.000 4.340 0.000) 4.340 4.614 ( 0.000 0.752 0.000) 0.752 4.692 ( 0.000 -0.752 0.000) 0.752 5.001 ( 0.000 -2.168 0.000) 2.168 5.044 ( 0.000 -2.391 0.000) 2.391 5.046 ( 0.000 -2.710 0.000) 2.710 5.530 ( 0.000 -3.479 0.000) 3.479 5.583 ( 0.000 -1.516 0.000) 1.516 5.749 ( 0.000 -3.600 0.000) 3.600 5.845 ( 0.000 -1.036 0.000) 1.036 6.002 ( 0.000 -0.258 0.000) 0.258 6.294 ( 0.000 -0.244 0.000) 0.244 6.446 ( 0.000 -4.448 0.000) 4.448 6.943 ( 0.000 -2.290 0.000) 2.290 7.215 ( 0.000 -7.106 0.000) 7.106 8.305 ( 0.000 -1.739 0.000) 1.739 8.482 ( 0.000 2.087 0.000) 2.087 8.553 ( 0.000 14.971 0.000) 14.971 8.676 ( 0.000 5.310 0.000) 5.310 8.811 ( 0.000 -1.721 0.000) 1.721 8.862 ( 0.000 -4.599 0.000) 4.599 8.862 ( 0.000 -3.382 0.000) 3.382 9.013 ( 0.000 9.990 0.000) 9.990 9.279 ( 0.000 19.652 0.000) 19.652 9.507 ( 0.000 17.045 0.000) 17.045 9.893 ( 0.000 -3.884 0.000) 3.884 10.010 ( 0.000 9.844 0.000) 9.844 10.172 ( 0.000 10.361 0.000) 10.361 10.374 ( 0.000 0.953 0.000) 0.953 10.631 ( 0.000 -2.639 0.000) 2.639 10.749 ( 0.000 0.575 0.000) 0.575 10.772 ( 0.000 2.064 0.000) 2.064 10.887 ( 0.000 6.266 0.000) 6.266 11.273 ( 0.000 -10.716 0.000) 10.716 11.486 ( 0.000 -3.993 0.000) 3.993 11.534 ( 0.000 -1.320 0.000) 1.320 11.601 ( 0.000 0.212 0.000) 0.212 11.903 ( 0.000 11.530 0.000) 11.530 12.357 ( 0.000 -2.736 0.000) 2.736 12.491 ( 0.000 -3.340 0.000) 3.340 12.697 ( 0.000 -12.825 0.000) 12.825 12.799 ( 0.000 0.814 0.000) 0.814 12.821 ( 0.000 -5.982 0.000) 5.982 12.863 ( 0.000 2.004 0.000) 2.004 13.347 ( 0.000 4.369 0.000) 4.369 13.385 ( 0.000 3.736 0.000) 3.736 13.507 ( 0.000 2.550 0.000) 2.550 14.239 ( 0.000 -5.975 0.000) 5.975 14.299 ( 0.000 2.663 0.000) 2.663 14.505 ( 0.000 -5.021 0.000) 5.021 14.700 ( 0.000 -7.944 0.000) 7.944 16.321 ( 0.000 1.928 0.000) 1.928 16.514 ( 0.000 -1.808 0.000) 1.808 16.735 ( 0.000 -5.184 0.000) 5.184 16.821 ( 0.000 -2.002 0.000) 2.002 17.841 ( 0.000 -6.500 0.000) 6.500 17.971 ( 0.000 -7.992 0.000) 7.992 18.184 ( 0.000 -8.345 0.000) 8.345 18.380 ( 0.000 -10.867 0.000) 10.867 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 21.414 18.156 0.000) 28.075 0.816 ( 17.181 21.756 0.000) 27.722 1.461 ( 26.181 43.682 0.000) 50.927 1.942 ( -10.104 3.646 0.000) 10.742 1.990 ( -4.618 20.513 0.000) 21.027 2.201 ( 12.839 3.820 0.000) 13.395 2.230 ( -6.795 16.198 0.000) 17.565 2.302 ( 1.779 3.753 0.000) 4.153 2.434 ( -3.042 14.659 0.000) 14.971 2.522 ( 1.740 10.032 0.000) 10.182 2.655 ( 0.686 9.190 0.000) 9.216 2.782 ( -0.108 14.222 0.000) 14.222 2.785 ( 2.238 14.185 0.000) 14.360 2.799 ( -2.847 -0.052 0.000) 2.848 2.898 ( -0.633 5.166 0.000) 5.205 2.935 ( 0.633 11.636 0.000) 11.653 3.083 ( 3.402 12.198 0.000) 12.664 3.171 ( -1.261 14.187 0.000) 14.243 3.317 ( 0.135 17.937 0.000) 17.937 3.397 ( 0.032 2.894 0.000) 2.894 3.404 ( 3.218 0.222 0.000) 3.226 3.443 ( -2.062 17.873 0.000) 17.992 3.638 ( -15.086 5.449 0.000) 16.039 3.744 ( 2.378 -0.224 0.000) 2.388 4.223 ( 6.921 2.544 0.000) 7.374 4.407 ( -13.982 -1.592 0.000) 14.072 4.532 ( 8.818 2.976 0.000) 9.307 4.834 ( -14.471 -2.124 0.000) 14.626 4.891 ( 7.156 -5.980 0.000) 9.325 4.999 ( -5.210 -1.377 0.000) 5.389 5.195 ( 12.534 -6.290 0.000) 14.024 5.546 ( -1.123 -5.008 0.000) 5.133 5.566 ( -1.614 -2.198 0.000) 2.727 5.628 ( -6.444 -1.765 0.000) 6.681 5.934 ( 5.313 -3.257 0.000) 6.232 6.026 ( 1.980 -0.825 0.000) 2.145 6.285 ( 3.163 -0.637 0.000) 3.227 6.615 ( 11.990 -3.783 0.000) 12.572 6.827 ( -10.596 -4.770 0.000) 11.620 7.220 ( -1.007 -6.642 0.000) 6.718 8.395 ( 7.393 -2.799 0.000) 7.905 8.497 ( 0.426 7.476 0.000) 7.488 8.537 ( -0.077 9.942 0.000) 9.943 8.624 ( -10.740 13.174 0.000) 16.997 8.667 ( -0.421 4.486 0.000) 4.506 8.855 ( -4.403 4.873 0.000) 6.568 8.881 ( 0.736 0.227 0.000) 0.770 8.952 ( -3.841 8.830 0.000) 9.629 9.341 ( 7.039 16.575 0.000) 18.008 9.539 ( 3.251 14.130 0.000) 14.499 9.955 ( -2.776 7.576 0.000) 8.068 10.090 ( -6.528 8.384 0.000) 10.626 10.110 ( 17.433 -1.654 0.000) 17.511 10.404 ( 3.062 1.995 0.000) 3.654 10.646 ( 0.783 -2.264 0.000) 2.396 10.735 ( 0.230 0.098 0.000) 0.250 10.800 ( -5.712 4.372 0.000) 7.193 10.808 ( 1.743 3.353 0.000) 3.779 11.359 ( 4.808 -8.023 0.000) 9.354 11.462 ( -4.236 -3.146 0.000) 5.277 11.555 ( 7.355 -3.365 0.000) 8.088 11.706 ( 8.635 -0.588 0.000) 8.655 11.838 ( -4.479 9.419 0.000) 10.430 12.340 ( -2.296 -1.931 0.000) 3.000 12.344 ( -16.407 0.121 0.000) 16.407 12.675 ( -3.200 -7.583 0.000) 8.231 12.735 ( -4.265 -3.969 0.000) 5.826 12.822 ( -2.621 -1.844 0.000) 3.205 12.829 ( -0.227 -4.566 0.000) 4.572 13.080 ( -19.833 9.653 0.000) 22.057 13.369 ( 1.954 6.830 0.000) 7.104 13.410 ( -0.412 7.950 0.000) 7.961 14.196 ( -1.427 -1.945 0.000) 2.412 14.261 ( -3.003 0.627 0.000) 3.068 14.547 ( 3.414 -3.890 0.000) 5.176 14.701 ( -0.427 -6.631 0.000) 6.644 16.339 ( 3.210 2.569 0.000) 4.111 16.524 ( 0.474 -1.548 0.000) 1.619 16.754 ( 1.770 -4.886 0.000) 5.196 16.836 ( 0.228 -2.257 0.000) 2.269 17.876 ( 2.048 -8.301 0.000) 8.550 17.966 ( -0.579 -7.981 0.000) 8.002 18.194 ( 0.866 -8.344 0.000) 8.389 18.337 ( -3.759 -10.349 0.000) 11.010 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 20.915 12.831 0.000) 24.537 1.283 ( 24.042 14.496 0.000) 28.075 1.625 ( -19.055 7.468 0.000) 20.466 1.727 ( -19.158 16.079 0.000) 25.012 2.074 ( 31.765 23.092 0.000) 39.271 2.222 ( 4.079 18.875 0.000) 19.311 2.328 ( -5.106 18.444 0.000) 19.138 2.370 ( 4.399 5.725 0.000) 7.220 2.428 ( 2.192 5.920 0.000) 6.313 2.628 ( -16.946 4.864 0.000) 17.630 2.632 ( 7.098 10.528 0.000) 12.697 2.696 ( 8.001 3.884 0.000) 8.894 2.759 ( -7.941 8.142 0.000) 11.373 2.797 ( 2.185 13.360 0.000) 13.537 2.808 ( -2.579 15.047 0.000) 15.267 2.954 ( -4.428 6.746 0.000) 8.070 3.125 ( -3.935 18.016 0.000) 18.441 3.134 ( -2.318 14.873 0.000) 15.053 3.226 ( -0.846 5.471 0.000) 5.536 3.328 ( -6.861 5.296 0.000) 8.667 3.345 ( 1.910 14.926 0.000) 15.048 3.396 ( -2.728 15.525 0.000) 15.763 3.661 ( 13.986 1.327 0.000) 14.049 3.977 ( 2.975 -1.570 0.000) 3.364 4.049 ( -2.475 -0.476 0.000) 2.520 4.433 ( -20.303 -1.570 0.000) 20.363 4.444 ( 11.175 2.356 0.000) 11.421 4.656 ( -6.049 1.330 0.000) 6.193 4.924 ( 2.592 -0.515 0.000) 2.643 4.976 ( 1.050 -3.380 0.000) 3.539 5.351 ( 2.093 -2.916 0.000) 3.590 5.415 ( -6.271 -2.243 0.000) 6.661 5.562 ( 2.294 -6.833 0.000) 7.207 5.604 ( -0.658 -6.556 0.000) 6.589 6.026 ( 3.366 -3.081 0.000) 4.564 6.056 ( 0.366 -2.025 0.000) 2.058 6.410 ( 8.111 -1.283 0.000) 8.212 6.599 ( -10.679 -2.831 0.000) 11.048 6.872 ( 13.012 -4.261 0.000) 13.692 7.112 ( -9.622 -5.764 0.000) 11.216 8.471 ( -1.356 19.316 0.000) 19.364 8.480 ( -2.922 18.952 0.000) 19.176 8.544 ( 5.654 -2.004 0.000) 5.999 8.584 ( 2.147 -2.167 0.000) 3.050 8.676 ( 2.189 3.765 0.000) 4.355 8.762 ( -4.658 2.978 0.000) 5.529 8.866 ( -1.791 6.400 0.000) 6.646 8.867 ( -3.161 10.796 0.000) 11.249 9.510 ( 8.166 12.939 0.000) 15.300 9.601 ( 0.596 11.623 0.000) 11.638 9.891 ( -1.214 8.235 0.000) 8.324 9.954 ( -6.159 6.408 0.000) 8.888 10.489 ( 5.034 1.857 0.000) 5.365 10.523 ( 18.878 -3.609 0.000) 19.220 10.598 ( -5.256 -0.173 0.000) 5.259 10.731 ( -2.566 -0.584 0.000) 2.632 10.764 ( 2.121 4.191 0.000) 4.697 10.817 ( -1.366 3.651 0.000) 3.898 11.412 ( -0.559 -6.458 0.000) 6.482 11.414 ( 0.846 -6.276 0.000) 6.333 11.641 ( 1.672 1.223 0.000) 2.071 11.803 ( -7.606 1.559 0.000) 7.764 11.929 ( 13.564 2.367 0.000) 13.769 12.033 ( -3.002 -1.312 0.000) 3.276 12.262 ( -3.747 -0.909 0.000) 3.855 12.437 ( -18.727 3.657 0.000) 19.080 12.696 ( 1.298 -10.820 0.000) 10.898 12.748 ( -3.487 -6.378 0.000) 7.268 12.846 ( 1.146 -3.729 0.000) 3.901 12.880 ( -2.964 -0.615 0.000) 3.027 13.411 ( 1.752 9.544 0.000) 9.704 13.424 ( 0.565 9.076 0.000) 9.094 14.183 ( 0.098 -1.809 0.000) 1.811 14.205 ( -2.097 -1.381 0.000) 2.510 14.619 ( 3.382 -3.679 0.000) 4.997 14.676 ( -2.109 -4.731 0.000) 5.180 16.432 ( 5.030 0.656 0.000) 5.073 16.510 ( -2.243 -0.736 0.000) 2.360 16.796 ( 1.964 -4.005 0.000) 4.460 16.826 ( -1.050 -2.768 0.000) 2.960 17.914 ( 1.742 -8.162 0.000) 8.345 17.946 ( -1.383 -8.011 0.000) 8.130 18.215 ( 1.358 -8.546 0.000) 8.654 18.260 ( -3.223 -9.285 0.000) 9.829 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.000 26.369 0.000) 26.369 1.196 ( 0.000 27.793 0.000) 27.793 2.074 ( 0.000 10.103 0.000) 10.103 2.227 ( 0.000 9.941 0.000) 9.941 2.290 ( 0.000 50.228 0.000) 50.228 2.357 ( 0.000 4.210 0.000) 4.210 2.502 ( 0.000 21.565 0.000) 21.565 2.570 ( 0.000 5.107 0.000) 5.107 2.731 ( 0.000 18.734 0.000) 18.734 2.784 ( 0.000 1.201 0.000) 1.201 2.915 ( 0.000 8.760 0.000) 8.760 2.919 ( 0.000 15.620 0.000) 15.620 2.999 ( 0.000 26.536 0.000) 26.536 3.096 ( 0.000 14.461 0.000) 14.461 3.163 ( 0.000 22.886 0.000) 22.886 3.311 ( 0.000 -0.346 0.000) 0.346 3.346 ( 0.000 12.675 0.000) 12.675 3.429 ( 0.000 26.527 0.000) 26.527 3.484 ( 0.000 15.048 0.000) 15.048 3.533 ( 0.000 17.843 0.000) 17.843 3.689 ( 0.000 17.467 0.000) 17.467 3.773 ( 0.000 1.625 0.000) 1.625 3.944 ( 0.000 28.691 0.000) 28.691 4.063 ( 0.000 19.562 0.000) 19.562 4.283 ( 0.000 11.776 0.000) 11.776 4.550 ( 0.000 8.777 0.000) 8.777 4.643 ( 0.000 2.230 0.000) 2.230 4.672 ( 0.000 -1.013 0.000) 1.013 4.947 ( 0.000 -2.798 0.000) 2.798 4.970 ( 0.000 -4.730 0.000) 4.730 4.980 ( 0.000 -3.617 0.000) 3.617 5.449 ( 0.000 -4.052 0.000) 4.052 5.537 ( 0.000 -3.054 0.000) 3.054 5.655 ( 0.000 -5.531 0.000) 5.531 5.809 ( 0.000 -2.628 0.000) 2.628 5.992 ( 0.000 -0.917 0.000) 0.917 6.296 ( 0.000 0.661 0.000) 0.661 6.355 ( 0.000 -3.709 0.000) 3.709 6.900 ( 0.000 -1.684 0.000) 1.684 7.039 ( 0.000 -9.760 0.000) 9.760 8.257 ( 0.000 -2.856 0.000) 2.856 8.526 ( 0.000 1.533 0.000) 1.533 8.549 ( 0.000 -7.862 0.000) 7.862 8.735 ( 0.000 -7.451 0.000) 7.451 8.802 ( 0.000 -1.785 0.000) 1.785 8.814 ( 0.000 1.850 0.000) 1.850 9.078 ( 0.000 23.529 0.000) 23.529 9.254 ( 0.000 12.393 0.000) 12.393 9.729 ( 0.000 23.026 0.000) 23.026 9.864 ( 0.000 2.135 0.000) 2.135 9.909 ( 0.000 19.130 0.000) 19.130 10.238 ( 0.000 13.012 0.000) 13.012 10.344 ( 0.000 3.386 0.000) 3.386 10.414 ( 0.000 3.352 0.000) 3.352 10.610 ( 0.000 0.799 0.000) 0.799 10.795 ( 0.000 4.308 0.000) 4.308 10.801 ( 0.000 0.199 0.000) 0.199 11.078 ( 0.000 13.236 0.000) 13.236 11.086 ( 0.000 -7.882 0.000) 7.882 11.371 ( 0.000 -3.881 0.000) 3.881 11.523 ( 0.000 2.136 0.000) 2.136 11.622 ( 0.000 2.044 0.000) 2.044 12.137 ( 0.000 10.180 0.000) 10.180 12.321 ( 0.000 -0.470 0.000) 0.470 12.396 ( 0.000 -6.055 0.000) 6.055 12.501 ( 0.000 -3.758 0.000) 3.758 12.683 ( 0.000 -6.854 0.000) 6.854 12.813 ( 0.000 0.397 0.000) 0.397 12.899 ( 0.000 1.153 0.000) 1.153 13.430 ( 0.000 2.693 0.000) 2.693 13.484 ( 0.000 5.718 0.000) 5.718 13.551 ( 0.000 1.698 0.000) 1.698 14.050 ( 0.000 -12.817 0.000) 12.817 14.321 ( 0.000 -1.584 0.000) 1.584 14.367 ( 0.000 -8.215 0.000) 8.215 14.486 ( 0.000 -12.566 0.000) 12.566 16.336 ( 0.000 -1.152 0.000) 1.152 16.467 ( 0.000 -2.635 0.000) 2.635 16.600 ( 0.000 -7.734 0.000) 7.734 16.763 ( 0.000 -3.803 0.000) 3.803 17.657 ( 0.000 -11.552 0.000) 11.552 17.746 ( 0.000 -14.107 0.000) 14.107 17.948 ( 0.000 -14.843 0.000) 14.843 18.084 ( 0.000 -17.913 0.000) 17.913 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 11.856 21.971 0.000) 24.966 1.295 ( 9.229 24.667 0.000) 26.337 2.067 ( -6.437 8.824 0.000) 10.922 2.313 ( 9.799 9.862 0.000) 13.902 2.359 ( -2.313 8.783 0.000) 9.082 2.429 ( 14.493 46.578 0.000) 48.781 2.454 ( -9.154 12.529 0.000) 15.517 2.579 ( 2.319 4.604 0.000) 5.155 2.591 ( 0.622 17.738 0.000) 17.748 2.855 ( 2.553 7.579 0.000) 7.997 2.897 ( -2.552 15.787 0.000) 15.992 2.949 ( -4.156 24.071 0.000) 24.427 2.963 ( -0.298 7.454 0.000) 7.460 3.125 ( 3.085 14.527 0.000) 14.851 3.169 ( -0.001 21.763 0.000) 21.763 3.322 ( -3.264 21.523 0.000) 21.769 3.371 ( -0.274 13.314 0.000) 13.317 3.419 ( 6.694 2.243 0.000) 7.059 3.530 ( 0.630 19.095 0.000) 19.105 3.558 ( 3.358 16.535 0.000) 16.873 3.670 ( -1.625 18.581 0.000) 18.652 3.761 ( 1.979 3.182 0.000) 3.747 3.917 ( -2.821 27.892 0.000) 28.034 3.938 ( -9.535 24.697 0.000) 26.473 4.312 ( -4.464 4.931 0.000) 6.652 4.416 ( -4.661 4.772 0.000) 6.670 4.625 ( 4.311 6.062 0.000) 7.438 4.783 ( -11.627 -2.321 0.000) 11.857 4.850 ( 6.758 1.467 0.000) 6.915 4.964 ( -2.877 -1.849 0.000) 3.420 5.090 ( 9.580 -5.140 0.000) 10.872 5.431 ( -2.370 -5.616 0.000) 6.095 5.507 ( -3.039 -3.660 0.000) 4.757 5.581 ( -6.522 -2.772 0.000) 7.087 5.843 ( 3.970 -5.610 0.000) 6.872 6.000 ( 0.577 -1.855 0.000) 1.943 6.287 ( 3.326 1.176 0.000) 3.528 6.533 ( 11.764 -4.007 0.000) 12.427 6.760 ( -9.940 -2.393 0.000) 10.224 7.077 ( 0.076 -7.620 0.000) 7.621 8.314 ( 4.111 -4.371 0.000) 6.001 8.499 ( -3.033 -7.995 0.000) 8.551 8.550 ( 1.897 1.193 0.000) 2.240 8.630 ( -3.433 -5.054 0.000) 6.110 8.893 ( 6.237 0.081 0.000) 6.238 8.938 ( 5.375 3.262 0.000) 6.287 9.070 ( -0.606 23.087 0.000) 23.095 9.213 ( -3.560 13.249 0.000) 13.719 9.749 ( 2.087 20.846 0.000) 20.950 9.888 ( 0.750 17.383 0.000) 17.400 10.018 ( 9.753 2.553 0.000) 10.082 10.241 ( -5.226 4.371 0.000) 6.813 10.248 ( 3.079 12.669 0.000) 13.037 10.500 ( 3.326 7.637 0.000) 8.330 10.620 ( 0.106 -0.123 0.000) 0.162 10.751 ( -1.052 0.653 0.000) 1.239 10.864 ( 2.903 2.399 0.000) 3.766 10.887 ( -5.998 3.287 0.000) 6.840 11.289 ( 4.962 2.954 0.000) 5.775 11.442 ( -5.887 1.643 0.000) 6.112 11.457 ( 11.044 -3.541 0.000) 11.598 11.692 ( 6.148 0.078 0.000) 6.148 12.025 ( -8.158 7.803 0.000) 11.289 12.276 ( -12.241 -5.709 0.000) 13.507 12.312 ( -2.361 -0.399 0.000) 2.395 12.520 ( 0.829 -2.709 0.000) 2.833 12.705 ( 2.096 -6.024 0.000) 6.378 12.738 ( -6.421 1.317 0.000) 6.555 12.822 ( -6.236 1.101 0.000) 6.333 13.209 ( -20.380 4.432 0.000) 20.856 13.502 ( 5.602 4.927 0.000) 7.460 13.567 ( 0.964 7.012 0.000) 7.078 14.063 ( 0.821 -10.853 0.000) 10.884 14.222 ( -5.887 -4.941 0.000) 7.686 14.438 ( 3.536 -6.899 0.000) 7.752 14.507 ( 1.288 -12.182 0.000) 12.250 16.363 ( 2.725 -0.638 0.000) 2.798 16.483 ( 1.116 -2.307 0.000) 2.563 16.625 ( 2.342 -7.524 0.000) 7.880 16.765 ( -0.269 -4.642 0.000) 4.650 17.667 ( 0.951 -12.438 0.000) 12.475 17.742 ( -0.512 -14.029 0.000) 14.038 17.959 ( 0.889 -14.722 0.000) 14.748 18.054 ( -2.601 -17.210 0.000) 17.406 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 14.097 18.398 0.000) 23.178 1.569 ( 21.599 14.095 0.000) 25.791 1.839 ( -13.953 13.321 0.000) 19.291 2.030 ( -21.811 12.607 0.000) 25.193 2.498 ( 6.209 6.763 0.000) 9.181 2.533 ( 8.473 11.324 0.000) 14.142 2.614 ( 3.819 11.788 0.000) 12.391 2.659 ( 3.788 19.043 0.000) 19.416 2.777 ( 1.448 18.004 0.000) 18.062 2.818 ( -5.943 11.202 0.000) 12.681 2.846 ( 3.708 21.189 0.000) 21.511 2.898 ( -4.922 9.857 0.000) 11.017 2.904 ( 8.293 20.645 0.000) 22.248 3.146 ( -3.570 16.597 0.000) 16.977 3.172 ( 1.085 20.945 0.000) 20.973 3.254 ( -5.314 22.086 0.000) 22.716 3.389 ( 0.613 11.825 0.000) 11.841 3.436 ( -2.512 10.592 0.000) 10.886 3.559 ( 0.659 22.810 0.000) 22.819 3.584 ( -2.741 23.854 0.000) 24.010 3.644 ( 6.149 11.903 0.000) 13.397 3.819 ( -7.395 20.350 0.000) 21.652 3.866 ( 3.671 24.088 0.000) 24.366 3.969 ( 11.848 2.619 0.000) 12.134 4.062 ( -6.897 4.544 0.000) 8.259 4.394 ( -19.709 -1.976 0.000) 19.808 4.536 ( 9.309 7.457 0.000) 11.928 4.712 ( -5.529 4.784 0.000) 7.311 4.930 ( 2.308 1.832 0.000) 2.947 4.947 ( 2.468 1.430 0.000) 2.852 5.273 ( 6.601 -4.585 0.000) 8.037 5.351 ( -3.970 -4.076 0.000) 5.690 5.434 ( -2.464 -5.876 0.000) 6.371 5.470 ( -4.267 -5.844 0.000) 7.236 5.939 ( 4.387 -5.590 0.000) 7.106 5.997 ( -1.306 -3.887 0.000) 4.101 6.402 ( 7.169 0.763 0.000) 7.209 6.564 ( -8.912 -0.589 0.000) 8.932 6.780 ( 12.142 -4.881 0.000) 13.086 6.994 ( -8.120 -6.200 0.000) 10.216 8.382 ( 2.900 -7.233 0.000) 7.793 8.440 ( -2.819 -8.433 0.000) 8.892 8.600 ( 2.368 -0.284 0.000) 2.385 8.619 ( 0.554 -3.179 0.000) 3.227 8.973 ( 1.325 7.527 0.000) 7.642 8.986 ( -0.034 10.081 0.000) 10.081 9.080 ( 2.012 18.400 0.000) 18.510 9.135 ( -3.488 14.136 0.000) 14.560 9.824 ( 4.930 16.174 0.000) 16.909 9.894 ( -0.958 16.035 0.000) 16.064 10.099 ( 0.287 11.534 0.000) 11.538 10.145 ( -4.212 11.876 0.000) 12.601 10.486 ( 14.485 1.239 0.000) 14.538 10.535 ( 0.916 2.632 0.000) 2.787 10.594 ( -0.344 0.044 0.000) 0.347 10.728 ( -3.721 0.838 0.000) 3.815 10.863 ( 2.270 5.535 0.000) 5.983 10.897 ( 0.014 4.131 0.000) 4.131 11.340 ( 1.577 -0.650 0.000) 1.706 11.357 ( -1.599 0.746 0.000) 1.764 11.662 ( 4.951 2.017 0.000) 5.346 11.796 ( -2.432 -0.749 0.000) 2.544 11.957 ( 3.222 -0.311 0.000) 3.237 11.976 ( -7.722 -4.594 0.000) 8.986 12.257 ( 1.048 1.020 0.000) 1.462 12.487 ( -13.293 0.391 0.000) 13.298 12.593 ( 0.385 3.072 0.000) 3.096 12.683 ( -5.937 0.627 0.000) 5.970 12.770 ( 3.290 -2.882 0.000) 4.374 12.877 ( -9.197 0.629 0.000) 9.219 13.599 ( 2.988 8.145 0.000) 8.676 13.606 ( 1.858 8.588 0.000) 8.787 14.076 ( 0.784 -9.283 0.000) 9.316 14.119 ( -3.835 -7.579 0.000) 8.494 14.493 ( 1.965 -8.973 0.000) 9.185 14.518 ( -0.372 -10.942 0.000) 10.949 16.434 ( 3.711 -0.820 0.000) 3.800 16.488 ( -1.160 -1.542 0.000) 1.930 16.684 ( 3.134 -6.803 0.000) 7.490 16.740 ( -2.172 -5.660 0.000) 6.063 17.693 ( 1.494 -13.456 0.000) 13.539 17.723 ( -1.327 -13.863 0.000) 13.926 17.976 ( 0.872 -14.826 0.000) 14.852 18.003 ( -1.979 -15.763 0.000) 15.887 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.000 23.106 0.000) 23.106 1.715 ( 0.000 23.985 0.000) 23.985 2.235 ( 0.000 8.373 0.000) 8.373 2.441 ( 0.000 3.890 0.000) 3.890 2.455 ( 0.000 12.435 0.000) 12.435 2.673 ( 0.000 5.352 0.000) 5.352 2.683 ( 0.000 1.585 0.000) 1.585 2.841 ( 0.000 4.781 0.000) 4.781 3.092 ( 0.000 7.741 0.000) 7.741 3.178 ( 0.000 18.872 0.000) 18.872 3.203 ( 0.000 17.716 0.000) 17.716 3.204 ( 0.000 12.363 0.000) 12.363 3.294 ( 0.000 5.517 0.000) 5.517 3.376 ( 0.000 27.122 0.000) 27.122 3.533 ( 0.000 24.367 0.000) 24.367 3.585 ( 0.000 16.307 0.000) 16.307 3.637 ( 0.000 23.255 0.000) 23.255 3.660 ( 0.000 -1.289 0.000) 1.289 3.913 ( 0.000 21.416 0.000) 21.416 3.988 ( 0.000 25.948 0.000) 25.948 4.051 ( 0.000 22.252 0.000) 22.252 4.069 ( 0.000 22.693 0.000) 22.693 4.536 ( 0.000 9.098 0.000) 9.098 4.544 ( 0.000 26.366 0.000) 26.366 4.551 ( 0.000 25.172 0.000) 25.172 4.682 ( 0.000 -0.172 0.000) 0.172 4.721 ( 0.000 13.179 0.000) 13.179 4.761 ( 0.000 11.681 0.000) 11.681 4.880 ( 0.000 -2.514 0.000) 2.514 4.914 ( 0.000 0.538 0.000) 0.538 4.947 ( 0.000 2.676 0.000) 2.676 5.377 ( 0.000 -3.982 0.000) 3.982 5.472 ( 0.000 -2.806 0.000) 2.806 5.562 ( 0.000 -1.594 0.000) 1.594 5.745 ( 0.000 -3.123 0.000) 3.123 5.963 ( 0.000 -1.905 0.000) 1.905 6.322 ( 0.000 0.561 0.000) 0.561 6.325 ( 0.000 2.260 0.000) 2.260 6.852 ( 0.000 -8.249 0.000) 8.249 6.884 ( 0.000 0.161 0.000) 0.161 8.201 ( 0.000 -2.561 0.000) 2.561 8.346 ( 0.000 -10.904 0.000) 10.904 8.514 ( 0.000 -2.576 0.000) 2.576 8.584 ( 0.000 -7.258 0.000) 7.258 8.813 ( 0.000 2.580 0.000) 2.580 8.872 ( 0.000 3.639 0.000) 3.639 9.435 ( 0.000 11.201 0.000) 11.201 9.459 ( 0.000 7.453 0.000) 7.453 9.970 ( 0.000 7.167 0.000) 7.167 10.067 ( 0.000 5.284 0.000) 5.284 10.110 ( 0.000 3.175 0.000) 3.175 10.319 ( 0.000 -0.252 0.000) 0.252 10.511 ( 0.000 5.914 0.000) 5.914 10.574 ( 0.000 14.441 0.000) 14.441 10.661 ( 0.000 3.952 0.000) 3.952 10.771 ( 0.000 -2.712 0.000) 2.712 10.902 ( 0.000 6.853 0.000) 6.853 10.944 ( 0.000 -1.911 0.000) 1.911 11.410 ( 0.000 19.198 0.000) 19.198 11.449 ( 0.000 10.399 0.000) 10.399 11.670 ( 0.000 11.228 0.000) 11.228 11.671 ( 0.000 1.976 0.000) 1.976 12.258 ( 0.000 -7.471 0.000) 7.471 12.260 ( 0.000 1.439 0.000) 1.439 12.347 ( 0.000 3.342 0.000) 3.342 12.594 ( 0.000 -1.047 0.000) 1.047 12.597 ( 0.000 12.855 0.000) 12.855 12.804 ( 0.000 -1.657 0.000) 1.657 12.902 ( 0.000 -0.712 0.000) 0.712 13.392 ( 0.000 -7.767 0.000) 7.767 13.567 ( 0.000 -0.866 0.000) 0.866 13.588 ( 0.000 3.833 0.000) 3.833 13.749 ( 0.000 -15.793 0.000) 15.793 14.212 ( 0.000 -6.444 0.000) 6.444 14.213 ( 0.000 -9.349 0.000) 9.349 14.244 ( 0.000 -10.282 0.000) 10.282 16.268 ( 0.000 -5.342 0.000) 5.342 16.421 ( 0.000 -1.720 0.000) 1.720 16.452 ( 0.000 -6.584 0.000) 6.584 16.673 ( 0.000 -5.049 0.000) 5.049 17.396 ( 0.000 -14.060 0.000) 14.060 17.429 ( 0.000 -17.020 0.000) 17.020 17.613 ( 0.000 -18.036 0.000) 18.036 17.701 ( 0.000 -19.581 0.000) 19.581 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 5.700 21.016 0.000) 21.775 1.768 ( 5.101 22.301 0.000) 22.877 2.252 ( -1.708 9.256 0.000) 9.412 2.473 ( 4.093 3.791 0.000) 5.579 2.512 ( 6.685 11.135 0.000) 12.988 2.603 ( -14.740 4.212 0.000) 15.330 2.669 ( 1.715 5.132 0.000) 5.411 2.809 ( 5.052 6.007 0.000) 7.848 3.073 ( -4.427 8.843 0.000) 9.890 3.121 ( -6.984 10.552 0.000) 12.654 3.191 ( 1.774 10.937 0.000) 11.080 3.280 ( 4.274 13.632 0.000) 14.286 3.326 ( 3.965 8.694 0.000) 9.555 3.424 ( 1.795 28.796 0.000) 28.852 3.512 ( 0.781 22.334 0.000) 22.348 3.640 ( 3.918 18.828 0.000) 19.231 3.673 ( 3.540 20.547 0.000) 20.850 3.718 ( 6.571 3.285 0.000) 7.347 3.772 ( -7.964 18.134 0.000) 19.805 4.004 ( -4.287 25.782 0.000) 26.136 4.053 ( 0.479 23.249 0.000) 23.254 4.125 ( 6.089 24.564 0.000) 25.308 4.330 ( -15.415 2.795 0.000) 15.666 4.468 ( -7.135 22.464 0.000) 23.570 4.525 ( -1.892 27.064 0.000) 27.130 4.650 ( 3.435 14.589 0.000) 14.988 4.700 ( -9.926 4.104 0.000) 10.742 4.853 ( 2.948 10.029 0.000) 10.453 4.944 ( 1.146 0.793 0.000) 1.394 4.956 ( 10.447 8.465 0.000) 13.446 4.999 ( 5.998 -1.014 0.000) 6.083 5.353 ( -3.192 -1.546 0.000) 3.546 5.432 ( -3.948 -3.165 0.000) 5.060 5.535 ( -3.768 -0.768 0.000) 3.846 5.723 ( 0.896 -5.692 0.000) 5.762 5.950 ( -1.332 -3.026 0.000) 3.306 6.337 ( 3.856 3.747 0.000) 5.377 6.467 ( 9.799 -2.356 0.000) 10.078 6.723 ( -7.685 -1.578 0.000) 7.846 6.938 ( 0.192 -5.548 0.000) 5.551 8.232 ( 1.995 -3.676 0.000) 4.182 8.316 ( -2.109 -9.209 0.000) 9.447 8.518 ( -2.572 -5.474 0.000) 6.048 8.543 ( 1.982 -2.186 0.000) 2.951 8.889 ( 6.388 0.111 0.000) 6.389 9.006 ( 9.226 3.603 0.000) 9.905 9.412 ( -4.675 6.081 0.000) 7.671 9.416 ( -1.868 11.294 0.000) 11.447 10.027 ( -1.716 3.952 0.000) 4.309 10.087 ( 9.813 6.153 0.000) 11.583 10.149 ( 3.860 5.477 0.000) 6.701 10.319 ( 1.731 5.367 0.000) 5.639 10.520 ( -2.167 10.945 0.000) 11.158 10.648 ( -2.873 2.194 0.000) 3.615 10.651 ( 8.881 6.125 0.000) 10.788 10.720 ( -3.622 -1.321 0.000) 3.856 10.946 ( 1.727 6.286 0.000) 6.519 10.951 ( 3.320 6.268 0.000) 7.093 11.418 ( -2.772 7.951 0.000) 8.420 11.513 ( -8.544 3.373 0.000) 9.186 11.560 ( 12.291 14.013 0.000) 18.639 11.744 ( 2.357 5.316 0.000) 5.815 12.117 ( -10.456 1.339 0.000) 10.542 12.149 ( -10.676 -6.381 0.000) 12.438 12.327 ( -3.886 1.810 0.000) 4.286 12.610 ( 0.622 10.496 0.000) 10.515 12.622 ( 3.326 -1.505 0.000) 3.650 12.771 ( -2.846 2.523 0.000) 3.803 12.871 ( -2.612 3.784 0.000) 4.598 13.279 ( -19.496 2.752 0.000) 19.690 13.492 ( 8.298 -7.487 0.000) 11.176 13.644 ( 3.431 -2.991 0.000) 4.552 13.820 ( 2.402 -9.782 0.000) 10.073 14.095 ( -7.045 -6.712 0.000) 9.730 14.255 ( 0.854 -11.488 0.000) 11.519 14.268 ( 1.292 -9.901 0.000) 9.985 16.307 ( 3.487 -4.782 0.000) 5.918 16.433 ( 1.056 -3.266 0.000) 3.433 16.483 ( 2.742 -5.359 0.000) 6.019 16.662 ( -1.219 -5.415 0.000) 5.551 17.391 ( -0.284 -14.830 0.000) 14.832 17.427 ( -0.326 -16.893 0.000) 16.897 17.629 ( 1.243 -17.598 0.000) 17.641 17.683 ( -1.398 -18.983 0.000) 19.034 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 14.056 14.383 0.000) 20.111 1.909 ( 8.055 17.864 0.000) 19.596 2.126 ( -8.335 14.562 0.000) 16.779 2.242 ( -18.659 9.302 0.000) 20.849 2.615 ( 9.063 4.614 0.000) 10.170 2.708 ( 7.006 2.740 0.000) 7.523 2.742 ( 5.862 10.558 0.000) 12.076 2.867 ( -1.622 6.976 0.000) 7.162 2.947 ( -7.581 4.323 0.000) 8.727 2.963 ( -5.920 4.319 0.000) 7.328 3.222 ( 2.202 14.495 0.000) 14.662 3.288 ( -3.250 16.566 0.000) 16.882 3.458 ( 3.446 16.678 0.000) 17.030 3.462 ( 7.752 12.127 0.000) 14.393 3.602 ( -4.715 12.040 0.000) 12.930 3.616 ( 5.417 27.568 0.000) 28.095 3.681 ( -0.990 15.927 0.000) 15.958 3.734 ( 1.002 21.431 0.000) 21.455 3.907 ( -3.235 21.605 0.000) 21.845 3.941 ( 4.596 3.553 0.000) 5.809 4.060 ( 0.525 9.526 0.000) 9.540 4.104 ( 3.224 24.894 0.000) 25.102 4.168 ( -3.631 26.215 0.000) 26.465 4.336 ( -7.954 7.470 0.000) 10.912 4.456 ( -8.168 22.765 0.000) 24.186 4.470 ( -3.342 27.230 0.000) 27.434 4.746 ( 5.431 11.908 0.000) 13.088 4.847 ( -3.881 7.558 0.000) 8.496 5.033 ( 6.246 8.849 0.000) 10.831 5.069 ( 3.211 11.328 0.000) 11.775 5.191 ( 8.571 -2.169 0.000) 8.841 5.274 ( -3.491 -2.130 0.000) 4.089 5.331 ( -4.216 -3.696 0.000) 5.607 5.403 ( -7.831 0.397 0.000) 7.841 5.807 ( 5.498 -7.412 0.000) 9.228 5.902 ( -3.597 -5.486 0.000) 6.560 6.442 ( 6.060 3.195 0.000) 6.851 6.573 ( -6.920 1.408 0.000) 7.062 6.682 ( 10.692 -4.692 0.000) 11.676 6.868 ( -6.929 -6.040 0.000) 9.193 8.255 ( 0.746 -5.344 0.000) 5.395 8.278 ( -1.567 -7.227 0.000) 7.395 8.531 ( 2.617 -4.767 0.000) 5.438 8.566 ( -0.198 -2.945 0.000) 2.952 9.027 ( 6.755 0.048 0.000) 6.755 9.125 ( -0.222 4.827 0.000) 4.832 9.324 ( -1.041 4.822 0.000) 4.933 9.365 ( -2.939 9.645 0.000) 10.083 10.055 ( 4.251 5.856 0.000) 7.236 10.151 ( -3.403 7.684 0.000) 8.403 10.305 ( 8.683 8.186 0.000) 11.933 10.373 ( 2.456 8.958 0.000) 9.289 10.558 ( -3.982 2.551 0.000) 4.729 10.591 ( -7.347 2.646 0.000) 7.809 10.633 ( 12.023 5.748 0.000) 13.327 10.783 ( 0.546 5.346 0.000) 5.374 11.004 ( 2.675 9.299 0.000) 9.677 11.011 ( 2.100 7.672 0.000) 7.954 11.360 ( -1.951 1.839 0.000) 2.681 11.380 ( -4.055 0.095 0.000) 4.056 11.777 ( 5.929 9.725 0.000) 11.390 11.802 ( 3.795 -2.964 0.000) 4.815 11.895 ( -10.694 1.839 0.000) 10.851 11.910 ( -8.137 -3.932 0.000) 9.037 12.313 ( 6.466 4.521 0.000) 7.890 12.541 ( -10.070 4.984 0.000) 11.235 12.705 ( 4.028 0.367 0.000) 4.045 12.733 ( 0.082 9.470 0.000) 9.470 12.818 ( -1.645 8.543 0.000) 8.700 12.915 ( -12.984 3.694 0.000) 13.500 13.665 ( 7.647 -4.813 0.000) 9.036 13.739 ( 3.441 3.314 0.000) 4.777 13.825 ( 0.352 -14.962 0.000) 14.966 13.940 ( -7.938 -7.771 0.000) 11.108 14.269 ( 0.454 -12.484 0.000) 12.493 14.276 ( -0.206 -11.764 0.000) 11.766 16.387 ( 3.878 -3.970 0.000) 5.550 16.440 ( -0.994 -3.694 0.000) 3.825 16.550 ( 3.667 -5.540 0.000) 6.644 16.620 ( -2.941 -5.768 0.000) 6.475 17.394 ( 0.646 -15.995 0.000) 16.008 17.413 ( -1.008 -16.625 0.000) 16.655 17.649 ( 0.606 -17.218 0.000) 17.229 17.660 ( -0.739 -17.776 0.000) 17.791 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 0.000 18.188 0.000) 18.188 2.149 ( 0.000 19.303 0.000) 19.303 2.412 ( 0.000 9.179 0.000) 9.179 2.506 ( 0.000 2.718 0.000) 2.718 2.689 ( 0.000 -0.276 0.000) 0.276 2.708 ( 0.000 12.587 0.000) 12.587 2.780 ( 0.000 5.164 0.000) 5.164 2.977 ( 0.000 8.639 0.000) 8.639 3.146 ( 0.000 0.141 0.000) 0.141 3.233 ( 0.000 -1.527 0.000) 1.527 3.360 ( 0.000 2.031 0.000) 2.031 3.423 ( 0.000 10.169 0.000) 10.169 3.468 ( 0.000 9.277 0.000) 9.277 3.607 ( 0.000 -2.928 0.000) 2.928 3.828 ( 0.000 9.627 0.000) 9.627 3.918 ( 0.000 13.348 0.000) 13.348 4.039 ( 0.000 15.180 0.000) 15.180 4.164 ( 0.000 30.631 0.000) 30.631 4.222 ( 0.000 8.133 0.000) 8.133 4.358 ( 0.000 11.200 0.000) 11.200 4.525 ( 0.000 13.763 0.000) 13.763 4.555 ( 0.000 16.675 0.000) 16.675 4.565 ( 0.000 1.077 0.000) 1.077 4.633 ( 0.000 9.625 0.000) 9.625 4.809 ( 0.000 11.765 0.000) 11.765 4.930 ( 0.000 10.489 0.000) 10.489 4.978 ( 0.000 10.735 0.000) 10.735 5.029 ( 0.000 9.952 0.000) 9.952 5.097 ( 0.000 8.974 0.000) 8.974 5.127 ( 0.000 20.887 0.000) 20.887 5.228 ( 0.000 28.881 0.000) 28.881 5.253 ( 0.000 -6.668 0.000) 6.668 5.497 ( 0.000 8.315 0.000) 8.315 5.688 ( 0.000 13.913 0.000) 13.913 5.741 ( 0.000 4.776 0.000) 4.776 5.938 ( 0.000 0.790 0.000) 0.790 6.367 ( 0.000 3.585 0.000) 3.585 6.384 ( 0.000 3.409 0.000) 3.409 6.727 ( 0.000 -4.082 0.000) 4.082 6.901 ( 0.000 1.257 0.000) 1.257 8.158 ( 0.000 -1.697 0.000) 1.697 8.162 ( 0.000 -6.738 0.000) 6.738 8.456 ( 0.000 -2.459 0.000) 2.459 8.456 ( 0.000 -5.352 0.000) 5.352 8.877 ( 0.000 3.400 0.000) 3.400 8.951 ( 0.000 4.244 0.000) 4.244 9.544 ( 0.000 1.276 0.000) 1.276 9.560 ( 0.000 2.636 0.000) 2.636 9.981 ( 0.000 -6.298 0.000) 6.298 10.095 ( 0.000 4.692 0.000) 4.692 10.174 ( 0.000 4.629 0.000) 4.629 10.361 ( 0.000 -0.262 0.000) 0.262 10.562 ( 0.000 -3.582 0.000) 3.582 10.563 ( 0.000 -7.789 0.000) 7.789 10.744 ( 0.000 3.683 0.000) 3.683 10.788 ( 0.000 7.263 0.000) 7.263 11.103 ( 0.000 12.924 0.000) 12.924 11.178 ( 0.000 16.491 0.000) 16.491 11.650 ( 0.000 -5.325 0.000) 5.325 11.675 ( 0.000 10.192 0.000) 10.192 11.795 ( 0.000 17.788 0.000) 17.788 11.884 ( 0.000 8.715 0.000) 8.715 12.116 ( 0.000 -6.226 0.000) 6.226 12.238 ( 0.000 -1.668 0.000) 1.668 12.465 ( 0.000 8.511 0.000) 8.511 12.606 ( 0.000 -0.277 0.000) 0.277 12.738 ( 0.000 -4.933 0.000) 4.933 12.887 ( 0.000 -0.221 0.000) 0.221 12.923 ( 0.000 14.498 0.000) 14.498 13.131 ( 0.000 -16.162 0.000) 16.162 13.374 ( 0.000 -12.442 0.000) 12.442 13.614 ( 0.000 -0.437 0.000) 0.437 13.614 ( 0.000 -0.392 0.000) 0.392 13.954 ( 0.000 -16.183 0.000) 16.183 14.102 ( 0.000 -5.575 0.000) 5.575 14.120 ( 0.000 -2.138 0.000) 2.138 16.147 ( 0.000 -6.007 0.000) 6.007 16.352 ( 0.000 -3.283 0.000) 3.283 16.409 ( 0.000 0.714 0.000) 0.714 16.566 ( 0.000 -5.574 0.000) 5.574 17.090 ( 0.000 -16.304 0.000) 16.304 17.116 ( 0.000 -13.510 0.000) 13.510 17.254 ( 0.000 -17.162 0.000) 17.162 17.334 ( 0.000 -16.431 0.000) 16.431 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 2.459 17.524 0.000) 17.695 2.174 ( 2.415 18.166 0.000) 18.326 2.430 ( 0.878 8.473 0.000) 8.519 2.522 ( 2.243 1.617 0.000) 2.765 2.659 ( -6.937 1.407 0.000) 7.078 2.718 ( -0.943 7.617 0.000) 7.675 2.803 ( 5.513 9.125 0.000) 10.661 2.951 ( 3.867 8.763 0.000) 9.578 3.200 ( -4.395 4.981 0.000) 6.643 3.262 ( 0.344 0.073 0.000) 0.352 3.274 ( -8.528 4.091 0.000) 9.459 3.325 ( 3.947 1.726 0.000) 4.308 3.529 ( 4.089 7.786 0.000) 8.794 3.645 ( 0.638 -0.090 0.000) 0.644 3.852 ( 3.729 8.594 0.000) 9.368 4.002 ( 0.873 9.599 0.000) 9.638 4.019 ( -7.005 10.736 0.000) 12.820 4.020 ( -3.246 11.331 0.000) 11.787 4.177 ( 1.673 28.431 0.000) 28.480 4.379 ( -7.836 7.357 0.000) 10.748 4.448 ( -6.467 9.170 0.000) 11.221 4.533 ( 9.059 14.700 0.000) 17.267 4.621 ( 2.302 31.478 0.000) 31.562 4.657 ( -10.536 13.740 0.000) 17.315 4.749 ( 6.676 -3.378 0.000) 7.482 4.990 ( 3.165 14.893 0.000) 15.225 4.993 ( -2.563 7.935 0.000) 8.339 5.037 ( 1.847 14.266 0.000) 14.385 5.061 ( -0.113 6.420 0.000) 6.421 5.130 ( -0.221 17.807 0.000) 17.808 5.310 ( 5.981 23.054 0.000) 23.817 5.329 ( 5.517 -3.087 0.000) 6.322 5.469 ( -2.635 10.237 0.000) 10.571 5.637 ( -2.153 11.842 0.000) 12.036 5.705 ( -4.311 8.050 0.000) 9.132 5.906 ( -3.205 0.186 0.000) 3.210 6.428 ( 4.229 5.084 0.000) 6.613 6.442 ( 6.435 -0.094 0.000) 6.436 6.689 ( -3.346 -1.620 0.000) 3.718 6.875 ( -2.938 -0.872 0.000) 3.064 8.161 ( -0.010 -5.727 0.000) 5.727 8.170 ( 0.670 -2.429 0.000) 2.520 8.426 ( -1.125 -3.578 0.000) 3.751 8.484 ( 2.024 -2.879 0.000) 3.519 8.909 ( 3.448 2.066 0.000) 4.019 9.078 ( 10.164 3.493 0.000) 10.747 9.469 ( -7.121 0.648 0.000) 7.150 9.563 ( -0.594 4.358 0.000) 4.398 9.994 ( 2.443 -3.676 0.000) 4.413 10.170 ( 5.821 2.407 0.000) 6.299 10.231 ( 6.029 3.579 0.000) 7.011 10.381 ( 2.348 -0.506 0.000) 2.402 10.540 ( -0.769 -5.039 0.000) 5.098 10.640 ( 4.513 -3.914 0.000) 5.973 10.731 ( -0.988 5.219 0.000) 5.312 10.836 ( 4.796 8.793 0.000) 10.015 11.131 ( 2.539 11.903 0.000) 12.171 11.190 ( 0.839 13.486 0.000) 13.512 11.517 ( -9.443 -3.501 0.000) 10.071 11.582 ( -8.101 7.117 0.000) 10.783 11.815 ( -8.658 -1.341 0.000) 8.761 11.881 ( 7.131 15.777 0.000) 17.314 12.086 ( -1.927 1.978 0.000) 2.762 12.104 ( -11.727 -1.506 0.000) 11.823 12.389 ( -4.223 3.968 0.000) 5.794 12.655 ( 4.134 4.734 0.000) 6.285 12.719 ( -1.354 -1.483 0.000) 2.009 12.954 ( 0.889 12.125 0.000) 12.157 12.965 ( 4.654 5.126 0.000) 6.923 13.213 ( 7.921 -18.216 0.000) 19.864 13.305 ( -12.801 -1.480 0.000) 12.887 13.444 ( 0.421 -7.025 0.000) 7.037 13.713 ( 0.624 -5.477 0.000) 5.512 13.900 ( -4.953 -14.594 0.000) 15.412 14.101 ( -0.178 -6.014 0.000) 6.016 14.113 ( -0.632 -2.510 0.000) 2.589 16.196 ( 4.303 -5.554 0.000) 7.026 16.345 ( -0.074 -3.946 0.000) 3.947 16.443 ( 2.323 0.030 0.000) 2.323 16.554 ( -1.177 -5.415 0.000) 5.541 17.090 ( -0.109 -16.159 0.000) 16.159 17.094 ( -1.472 -14.300 0.000) 14.376 17.284 ( 2.157 -16.284 0.000) 16.427 17.327 ( -0.473 -15.998 0.000) 16.005 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 7.315 13.295 0.000) 15.175 2.231 ( 1.614 14.020 0.000) 14.112 2.394 ( -3.787 11.813 0.000) 12.405 2.413 ( -9.394 7.931 0.000) 12.294 2.676 ( 8.304 1.753 0.000) 8.487 2.761 ( 3.251 2.633 0.000) 4.184 2.924 ( 4.136 5.561 0.000) 6.930 3.019 ( -5.452 5.226 0.000) 7.552 3.054 ( -1.572 8.455 0.000) 8.600 3.059 ( -6.884 9.519 0.000) 11.747 3.361 ( 6.707 1.779 0.000) 6.938 3.437 ( 2.547 0.797 0.000) 2.669 3.622 ( 0.323 3.102 0.000) 3.119 3.639 ( 7.313 5.287 0.000) 9.024 3.760 ( -11.023 3.320 0.000) 11.512 3.834 ( -10.306 1.801 0.000) 10.462 4.036 ( 10.239 7.146 0.000) 12.486 4.144 ( 5.733 17.567 0.000) 18.479 4.228 ( -0.006 22.568 0.000) 22.568 4.269 ( -10.744 2.770 0.000) 11.095 4.295 ( 1.693 17.903 0.000) 17.983 4.431 ( -9.423 21.931 0.000) 23.870 4.698 ( 4.741 29.584 0.000) 29.961 4.709 ( 5.512 17.951 0.000) 18.778 4.864 ( 4.809 -0.357 0.000) 4.822 4.935 ( -2.996 8.218 0.000) 8.747 4.953 ( -3.286 18.518 0.000) 18.808 4.975 ( -5.571 17.628 0.000) 18.488 5.156 ( 4.533 -0.630 0.000) 4.577 5.165 ( 2.574 4.722 0.000) 5.378 5.396 ( 0.681 11.466 0.000) 11.486 5.406 ( -1.141 17.317 0.000) 17.355 5.438 ( 5.135 17.521 0.000) 18.258 5.567 ( -6.829 15.708 0.000) 17.128 5.689 ( 5.222 0.581 0.000) 5.254 5.812 ( -5.845 -0.827 0.000) 5.904 6.519 ( 4.610 3.874 0.000) 6.022 6.606 ( 8.881 -2.215 0.000) 9.153 6.609 ( -4.275 1.746 0.000) 4.618 6.773 ( -7.045 -2.822 0.000) 7.589 8.163 ( 0.225 -4.149 0.000) 4.155 8.170 ( -0.440 -3.100 0.000) 3.132 8.449 ( 2.878 -3.116 0.000) 4.242 8.499 ( -1.131 -3.235 0.000) 3.427 9.027 ( 8.113 0.978 0.000) 8.171 9.197 ( -5.130 2.887 0.000) 5.887 9.376 ( 4.522 1.520 0.000) 4.771 9.506 ( -5.224 4.963 0.000) 7.205 10.087 ( 6.071 -1.300 0.000) 6.209 10.201 ( -3.808 -0.980 0.000) 3.932 10.411 ( 11.065 2.218 0.000) 11.285 10.464 ( 5.562 0.829 0.000) 5.624 10.562 ( -1.456 -1.067 0.000) 1.805 10.621 ( -7.106 -0.258 0.000) 7.111 10.787 ( 10.191 8.114 0.000) 13.027 10.934 ( 1.387 8.261 0.000) 8.376 11.173 ( 0.236 6.631 0.000) 6.635 11.187 ( -1.538 5.404 0.000) 5.619 11.381 ( -3.470 2.437 0.000) 4.240 11.415 ( -6.415 5.252 0.000) 8.291 11.646 ( -1.157 -10.064 0.000) 10.130 11.821 ( -14.210 -4.443 0.000) 14.889 12.006 ( 3.466 11.638 0.000) 12.143 12.049 ( -1.748 9.368 0.000) 9.530 12.424 ( 8.876 5.781 0.000) 10.592 12.644 ( -8.267 4.131 0.000) 9.242 12.744 ( 4.636 3.645 0.000) 5.897 12.868 ( -8.366 2.059 0.000) 8.616 13.035 ( 2.594 11.855 0.000) 12.135 13.093 ( -4.636 14.263 0.000) 14.997 13.401 ( 9.070 -17.504 0.000) 19.715 13.502 ( 1.122 -15.288 0.000) 15.329 13.688 ( -0.327 -8.920 0.000) 8.926 13.774 ( -6.753 -12.294 0.000) 14.027 14.096 ( -0.112 -5.249 0.000) 5.250 14.100 ( -0.500 -3.699 0.000) 3.733 16.290 ( 4.243 -4.999 0.000) 6.557 16.343 ( -0.849 -4.960 0.000) 5.032 16.483 ( 1.743 -1.788 0.000) 2.497 16.521 ( -1.926 -4.273 0.000) 4.687 17.075 ( -0.232 -15.244 0.000) 15.246 17.082 ( -0.641 -15.834 0.000) 15.847 17.317 ( 0.894 -15.363 0.000) 15.389 17.323 ( 0.021 -15.284 0.000) 15.284 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.000 13.386 0.000) 13.386 2.477 ( 0.000 12.327 0.000) 12.327 2.564 ( 0.000 4.410 0.000) 4.410 2.593 ( 0.000 8.727 0.000) 8.727 2.682 ( 0.000 -0.445 0.000) 0.445 2.862 ( 0.000 3.297 0.000) 3.297 2.960 ( 0.000 12.072 0.000) 12.072 3.130 ( 0.000 -1.463 0.000) 1.463 3.176 ( 0.000 10.999 0.000) 10.999 3.191 ( 0.000 -2.774 0.000) 2.774 3.396 ( 0.000 1.787 0.000) 1.787 3.545 ( 0.000 -3.108 0.000) 3.108 3.576 ( 0.000 2.305 0.000) 2.305 3.627 ( 0.000 10.278 0.000) 10.278 3.917 ( 0.000 0.849 0.000) 0.849 4.054 ( 0.000 0.825 0.000) 0.825 4.180 ( 0.000 -0.362 0.000) 0.362 4.265 ( 0.000 -2.059 0.000) 2.059 4.396 ( 0.000 -6.158 0.000) 6.158 4.397 ( 0.000 -4.493 0.000) 4.493 4.632 ( 0.000 1.434 0.000) 1.434 4.643 ( 0.000 4.906 0.000) 4.906 4.713 ( 0.000 17.801 0.000) 17.801 4.999 ( 0.000 -9.172 0.000) 9.172 5.022 ( 0.000 2.955 0.000) 2.955 5.149 ( 0.000 2.767 0.000) 2.767 5.202 ( 0.000 20.528 0.000) 20.528 5.255 ( 0.000 14.245 0.000) 14.245 5.292 ( 0.000 28.088 0.000) 28.088 5.363 ( 0.000 14.522 0.000) 14.522 5.461 ( 0.000 13.188 0.000) 13.188 5.749 ( 0.000 22.191 0.000) 22.191 5.803 ( 0.000 19.044 0.000) 19.044 5.966 ( 0.000 15.500 0.000) 15.500 6.038 ( 0.000 18.927 0.000) 18.927 6.045 ( 0.000 9.677 0.000) 9.677 6.452 ( 0.000 3.230 0.000) 3.230 6.454 ( 0.000 4.916 0.000) 4.916 6.687 ( 0.000 -0.157 0.000) 0.157 6.921 ( 0.000 0.340 0.000) 0.340 8.094 ( 0.000 0.073 0.000) 0.073 8.138 ( 0.000 -0.067 0.000) 0.067 8.371 ( 0.000 -3.288 0.000) 3.288 8.431 ( 0.000 0.007 0.000) 0.007 8.951 ( 0.000 4.289 0.000) 4.289 9.046 ( 0.000 5.386 0.000) 5.386 9.529 ( 0.000 -2.231 0.000) 2.231 9.573 ( 0.000 -1.046 0.000) 1.046 9.929 ( 0.000 1.475 0.000) 1.475 10.161 ( 0.000 2.259 0.000) 2.259 10.295 ( 0.000 -5.264 0.000) 5.264 10.300 ( 0.000 6.901 0.000) 6.901 10.430 ( 0.000 -3.928 0.000) 3.928 10.433 ( 0.000 -7.684 0.000) 7.684 10.803 ( 0.000 2.796 0.000) 2.796 10.996 ( 0.000 11.873 0.000) 11.873 11.382 ( 0.000 14.273 0.000) 14.273 11.414 ( 0.000 5.946 0.000) 5.946 11.445 ( 0.000 -14.499 0.000) 14.499 11.831 ( 0.000 6.060 0.000) 6.060 11.991 ( 0.000 1.744 0.000) 1.744 12.010 ( 0.000 -4.699 0.000) 4.699 12.030 ( 0.000 2.165 0.000) 2.165 12.251 ( 0.000 2.712 0.000) 2.712 12.470 ( 0.000 -11.833 0.000) 11.833 12.616 ( 0.000 -6.898 0.000) 6.898 12.661 ( 0.000 9.567 0.000) 9.567 12.836 ( 0.000 -16.943 0.000) 16.943 12.906 ( 0.000 -3.834 0.000) 3.834 12.924 ( 0.000 4.802 0.000) 4.802 13.470 ( 0.000 15.060 0.000) 15.060 13.590 ( 0.000 -19.432 0.000) 19.432 13.605 ( 0.000 0.687 0.000) 0.687 13.631 ( 0.000 1.663 0.000) 1.663 13.962 ( 0.000 -8.575 0.000) 8.575 14.105 ( 0.000 -0.788 0.000) 0.788 16.056 ( 0.000 -2.629 0.000) 2.629 16.314 ( 0.000 -0.747 0.000) 0.747 16.448 ( 0.000 2.866 0.000) 2.866 16.453 ( 0.000 -5.631 0.000) 5.631 16.799 ( 0.000 -12.304 0.000) 12.304 16.875 ( 0.000 -10.197 0.000) 10.197 16.951 ( 0.000 -12.724 0.000) 12.724 17.061 ( 0.000 -10.803 0.000) 10.803 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 1.254 13.446 0.000) 13.505 2.491 ( 0.735 13.187 0.000) 13.207 2.553 ( 0.264 1.792 0.000) 1.812 2.593 ( 0.429 7.851 0.000) 7.863 2.671 ( -2.200 0.240 0.000) 2.213 2.825 ( -2.330 3.868 0.000) 4.515 2.991 ( 1.961 8.267 0.000) 8.496 3.125 ( 4.193 6.057 0.000) 7.367 3.243 ( 3.627 -3.648 0.000) 5.144 3.273 ( 1.526 3.315 0.000) 3.649 3.292 ( -4.533 4.306 0.000) 6.252 3.472 ( -6.864 9.982 0.000) 12.114 3.608 ( 1.045 -3.036 0.000) 3.211 3.617 ( 2.781 1.736 0.000) 3.278 3.951 ( 0.276 2.171 0.000) 2.188 4.019 ( -10.557 -3.005 0.000) 10.976 4.099 ( -4.878 -0.474 0.000) 4.901 4.167 ( 2.791 1.181 0.000) 3.030 4.456 ( -1.358 -2.284 0.000) 2.657 4.472 ( 6.341 0.501 0.000) 6.361 4.608 ( -3.040 7.916 0.000) 8.479 4.661 ( 5.133 -0.785 0.000) 5.193 4.767 ( 4.385 11.665 0.000) 12.462 5.035 ( -4.014 12.706 0.000) 13.325 5.048 ( 1.358 1.077 0.000) 1.733 5.095 ( -0.377 1.985 0.000) 2.020 5.156 ( 1.279 2.477 0.000) 2.788 5.240 ( -4.402 8.968 0.000) 9.990 5.294 ( 0.440 27.563 0.000) 27.566 5.406 ( 5.705 14.794 0.000) 15.856 5.469 ( -1.314 15.129 0.000) 15.186 5.761 ( -1.258 19.312 0.000) 19.353 5.792 ( 1.010 19.234 0.000) 19.261 5.956 ( -0.025 18.583 0.000) 18.583 6.029 ( -1.769 19.355 0.000) 19.436 6.036 ( -0.747 12.825 0.000) 12.847 6.459 ( 3.069 1.798 0.000) 3.557 6.529 ( 4.708 4.671 0.000) 6.632 6.673 ( -1.387 0.261 0.000) 1.412 6.877 ( -4.144 0.408 0.000) 4.164 8.101 ( 0.631 -0.121 0.000) 0.642 8.140 ( 0.057 -0.319 0.000) 0.324 8.373 ( 0.677 -1.928 0.000) 2.044 8.448 ( 1.125 -0.733 0.000) 1.343 8.978 ( 3.095 4.955 0.000) 5.842 9.148 ( 9.028 3.813 0.000) 9.800 9.477 ( -5.563 0.605 0.000) 5.595 9.605 ( 1.740 0.075 0.000) 1.742 9.948 ( 2.966 -0.137 0.000) 2.969 10.200 ( 2.044 0.213 0.000) 2.055 10.304 ( 1.271 4.414 0.000) 4.593 10.323 ( 3.483 -4.367 0.000) 5.586 10.447 ( 2.990 -3.407 0.000) 4.533 10.518 ( 5.909 -7.949 0.000) 9.905 10.824 ( 2.167 4.501 0.000) 4.996 11.028 ( 2.271 9.500 0.000) 9.767 11.333 ( -5.693 -5.725 0.000) 8.073 11.347 ( -7.066 0.779 0.000) 7.108 11.421 ( 1.525 7.872 0.000) 8.018 11.706 ( -8.014 6.292 0.000) 10.188 11.746 ( -15.097 -2.976 0.000) 15.387 12.079 ( -6.947 0.706 0.000) 6.983 12.130 ( -1.301 5.163 0.000) 5.325 12.158 ( 4.786 2.609 0.000) 5.451 12.422 ( -1.601 -2.234 0.000) 2.748 12.614 ( 1.327 -8.747 0.000) 8.847 12.802 ( 2.619 8.556 0.000) 8.948 12.856 ( 8.924 -10.691 0.000) 13.926 12.867 ( 0.669 -15.469 0.000) 15.483 13.093 ( 9.009 5.487 0.000) 10.548 13.427 ( -5.542 8.612 0.000) 10.241 13.481 ( -6.200 9.522 0.000) 11.362 13.556 ( -3.147 -18.423 0.000) 18.689 13.616 ( -4.078 -2.914 0.000) 5.012 13.973 ( 1.073 -7.568 0.000) 7.644 14.090 ( -1.509 -1.343 0.000) 2.020 16.111 ( 4.840 -2.474 0.000) 5.435 16.295 ( -1.333 -1.224 0.000) 1.810 16.444 ( -0.679 -5.540 0.000) 5.582 16.461 ( 0.572 1.391 0.000) 1.504 16.805 ( 0.432 -11.734 0.000) 11.742 16.843 ( -1.949 -10.216 0.000) 10.400 16.998 ( 3.253 -11.994 0.000) 12.428 17.061 ( 0.095 -10.540 0.000) 10.541 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 2.589 11.003 0.000) 11.304 2.456 ( -4.321 8.171 0.000) 9.243 2.568 ( 0.979 7.912 0.000) 7.973 2.595 ( -0.967 8.518 0.000) 8.573 2.697 ( 6.207 0.694 0.000) 6.246 2.805 ( -1.313 1.519 0.000) 2.008 2.990 ( -0.669 2.437 0.000) 2.527 3.082 ( -7.962 2.272 0.000) 8.280 3.275 ( 0.955 6.855 0.000) 6.922 3.285 ( 2.837 12.453 0.000) 12.773 3.361 ( 6.063 -0.833 0.000) 6.120 3.434 ( 1.467 3.390 0.000) 3.693 3.627 ( 1.144 -2.023 0.000) 2.324 3.672 ( 1.709 -1.481 0.000) 2.262 3.788 ( -8.411 0.994 0.000) 8.469 3.833 ( -8.320 -0.090 0.000) 8.320 4.120 ( 4.965 1.705 0.000) 5.250 4.211 ( -1.953 -3.283 0.000) 3.820 4.436 ( 2.334 7.606 0.000) 7.956 4.524 ( -4.867 7.876 0.000) 9.259 4.624 ( 8.071 6.312 0.000) 10.246 4.747 ( -0.569 -3.307 0.000) 3.356 4.859 ( 3.731 6.303 0.000) 7.324 4.900 ( -3.810 16.189 0.000) 16.631 5.038 ( -1.326 4.220 0.000) 4.424 5.067 ( -3.934 9.499 0.000) 10.281 5.210 ( 2.751 -0.913 0.000) 2.898 5.224 ( 1.311 -4.187 0.000) 4.387 5.323 ( 2.689 24.677 0.000) 24.823 5.400 ( -4.414 19.171 0.000) 19.673 5.539 ( 7.044 11.814 0.000) 13.755 5.677 ( -6.039 11.968 0.000) 13.406 5.853 ( 3.966 22.044 0.000) 22.398 5.937 ( -3.522 21.105 0.000) 21.397 6.000 ( 0.613 20.534 0.000) 20.543 6.020 ( -0.916 18.303 0.000) 18.326 6.550 ( 4.892 0.298 0.000) 4.901 6.630 ( -2.930 0.680 0.000) 3.007 6.635 ( 5.892 3.749 0.000) 6.983 6.765 ( -6.526 1.381 0.000) 6.670 8.117 ( 0.863 -0.364 0.000) 0.937 8.134 ( -0.706 -0.427 0.000) 0.825 8.408 ( 2.521 -1.262 0.000) 2.819 8.451 ( -1.165 -1.543 0.000) 1.933 9.092 ( 8.117 5.743 0.000) 9.943 9.269 ( -6.264 4.845 0.000) 7.919 9.406 ( 7.400 1.807 0.000) 7.618 9.573 ( -5.750 2.004 0.000) 6.089 10.051 ( 6.409 -1.329 0.000) 6.545 10.171 ( -4.640 -1.225 0.000) 4.799 10.395 ( 7.725 -3.234 0.000) 8.374 10.436 ( 6.578 -3.315 0.000) 7.366 10.531 ( 1.300 -2.328 0.000) 2.667 10.557 ( -3.693 -6.249 0.000) 7.259 10.934 ( 10.115 6.065 0.000) 11.794 11.030 ( -0.657 -1.177 0.000) 1.348 11.166 ( -7.473 -5.133 0.000) 9.066 11.279 ( -10.291 7.389 0.000) 12.669 11.435 ( 5.860 -8.705 0.000) 10.494 11.538 ( 1.379 10.616 0.000) 10.706 11.587 ( -4.441 9.722 0.000) 10.688 11.755 ( -17.949 -1.294 0.000) 17.995 12.193 ( 1.529 6.043 0.000) 6.234 12.201 ( 0.381 5.045 0.000) 5.059 12.480 ( 7.764 -2.107 0.000) 8.045 12.634 ( -3.015 -6.889 0.000) 7.520 12.806 ( -0.182 -0.139 0.000) 0.229 12.817 ( -3.183 -7.487 0.000) 8.136 13.113 ( 12.331 -6.874 0.000) 14.117 13.259 ( 7.186 9.681 0.000) 12.057 13.298 ( -5.942 -3.294 0.000) 6.794 13.384 ( -5.241 12.932 0.000) 13.953 13.486 ( -2.759 -14.154 0.000) 14.421 13.502 ( -5.065 -6.713 0.000) 8.410 14.004 ( 1.968 -5.281 0.000) 5.636 14.049 ( -2.325 -2.942 0.000) 3.749 16.213 ( 4.360 -2.384 0.000) 4.970 16.270 ( -1.472 -2.230 0.000) 2.672 16.437 ( 0.237 -4.365 0.000) 4.371 16.455 ( -1.074 -1.588 0.000) 1.917 16.810 ( 0.025 -10.566 0.000) 10.566 16.815 ( -0.760 -10.031 0.000) 10.060 17.052 ( 1.668 -11.047 0.000) 11.172 17.065 ( 0.100 -10.418 0.000) 10.418 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 0.000 10.771 0.000) 10.771 2.579 ( 0.000 2.234 0.000) 2.234 2.670 ( 0.000 -0.751 0.000) 0.751 2.749 ( 0.000 6.522 0.000) 6.522 2.751 ( 0.000 10.074 0.000) 10.074 2.905 ( 0.000 1.027 0.000) 1.027 3.090 ( 0.000 -2.529 0.000) 2.529 3.112 ( 0.000 -5.399 0.000) 5.399 3.188 ( 0.000 10.387 0.000) 10.387 3.405 ( 0.000 11.557 0.000) 11.557 3.438 ( 0.000 2.562 0.000) 2.562 3.492 ( 0.000 -2.032 0.000) 2.032 3.585 ( 0.000 -0.961 0.000) 0.961 3.822 ( 0.000 8.655 0.000) 8.655 3.906 ( 0.000 -1.080 0.000) 1.080 3.994 ( 0.000 -6.021 0.000) 6.021 4.110 ( 0.000 -5.059 0.000) 5.059 4.200 ( 0.000 -3.373 0.000) 3.373 4.252 ( 0.000 -7.056 0.000) 7.056 4.283 ( 0.000 -5.819 0.000) 5.819 4.620 ( 0.000 -1.529 0.000) 1.529 4.689 ( 0.000 0.677 0.000) 0.677 4.811 ( 0.000 -8.711 0.000) 8.711 4.964 ( 0.000 1.473 0.000) 1.473 5.106 ( 0.000 2.536 0.000) 2.536 5.130 ( 0.000 6.771 0.000) 6.771 5.512 ( 0.000 10.731 0.000) 10.731 5.536 ( 0.000 12.308 0.000) 12.308 5.638 ( 0.000 11.531 0.000) 11.531 5.685 ( 0.000 9.028 0.000) 9.028 5.844 ( 0.000 23.251 0.000) 23.251 6.112 ( 0.000 14.358 0.000) 14.358 6.144 ( 0.000 13.265 0.000) 13.265 6.253 ( 0.000 11.803 0.000) 11.803 6.254 ( 0.000 9.307 0.000) 9.307 6.382 ( 0.000 14.297 0.000) 14.297 6.505 ( 0.000 1.915 0.000) 1.915 6.561 ( 0.000 5.549 0.000) 5.549 6.711 ( 0.000 2.320 0.000) 2.320 6.904 ( 0.000 -2.025 0.000) 2.025 8.156 ( 0.000 5.600 0.000) 5.600 8.162 ( 0.000 2.473 0.000) 2.473 8.319 ( 0.000 -2.121 0.000) 2.121 8.440 ( 0.000 0.049 0.000) 0.049 9.058 ( 0.000 6.571 0.000) 6.571 9.164 ( 0.000 6.070 0.000) 6.070 9.468 ( 0.000 -3.723 0.000) 3.723 9.516 ( 0.000 -4.748 0.000) 4.748 10.026 ( 0.000 6.946 0.000) 6.946 10.199 ( 0.000 1.823 0.000) 1.823 10.205 ( 0.000 -1.782 0.000) 1.782 10.283 ( 0.000 -7.011 0.000) 7.011 10.317 ( 0.000 -2.350 0.000) 2.350 10.539 ( 0.000 12.013 0.000) 12.013 10.883 ( 0.000 5.639 0.000) 5.639 11.068 ( 0.000 -17.102 0.000) 17.102 11.277 ( 0.000 10.767 0.000) 10.767 11.412 ( 0.000 -5.259 0.000) 5.259 11.651 ( 0.000 12.141 0.000) 12.141 11.791 ( 0.000 -23.302 0.000) 23.302 11.929 ( 0.000 -3.146 0.000) 3.146 11.952 ( 0.000 6.370 0.000) 6.370 11.953 ( 0.000 -5.302 0.000) 5.302 12.186 ( 0.000 -3.096 0.000) 3.096 12.472 ( 0.000 -7.394 0.000) 7.394 12.489 ( 0.000 7.742 0.000) 7.742 12.496 ( 0.000 -15.265 0.000) 15.265 12.793 ( 0.000 3.662 0.000) 3.662 12.894 ( 0.000 0.667 0.000) 0.667 13.082 ( 0.000 8.157 0.000) 8.157 13.218 ( 0.000 -15.040 0.000) 15.040 13.647 ( 0.000 3.249 0.000) 3.249 13.673 ( 0.000 3.404 0.000) 3.404 13.728 ( 0.000 8.799 0.000) 8.799 13.765 ( 0.000 -10.803 0.000) 10.803 14.059 ( 0.000 -3.956 0.000) 3.956 16.050 ( 0.000 1.961 0.000) 1.961 16.314 ( 0.000 0.633 0.000) 0.633 16.341 ( 0.000 -5.627 0.000) 5.627 16.482 ( 0.000 -1.662 0.000) 1.662 16.639 ( 0.000 -1.789 0.000) 1.789 16.717 ( 0.000 -5.546 0.000) 5.546 16.754 ( 0.000 -7.044 0.000) 7.044 16.894 ( 0.000 -6.364 0.000) 6.364 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 0.757 1.580 0.000) 1.752 2.581 ( 0.810 10.515 0.000) 10.546 2.649 ( -2.396 0.229 0.000) 2.407 2.738 ( -0.444 6.508 0.000) 6.523 2.748 ( 0.498 9.367 0.000) 9.380 2.878 ( -2.161 1.442 0.000) 2.598 3.091 ( -3.569 -1.167 0.000) 3.755 3.133 ( 2.531 -2.895 0.000) 3.845 3.187 ( 2.488 1.389 0.000) 2.850 3.375 ( -3.942 4.277 0.000) 5.816 3.433 ( 2.338 9.361 0.000) 9.649 3.524 ( -0.354 -5.044 0.000) 5.057 3.625 ( 2.526 -0.191 0.000) 2.534 3.697 ( -2.892 11.612 0.000) 11.967 3.931 ( -6.124 -5.167 0.000) 8.013 3.968 ( -2.528 0.191 0.000) 2.536 4.077 ( 0.817 -1.224 0.000) 1.472 4.139 ( -1.659 -2.081 0.000) 2.661 4.370 ( 8.854 -7.634 0.000) 11.690 4.378 ( 5.864 -5.883 0.000) 8.307 4.613 ( -0.026 -1.781 0.000) 1.781 4.670 ( -1.999 0.625 0.000) 2.095 4.901 ( 6.869 -9.610 0.000) 11.812 4.961 ( -0.040 -0.517 0.000) 0.519 5.120 ( 1.656 5.248 0.000) 5.504 5.151 ( 1.693 5.284 0.000) 5.549 5.379 ( -8.330 12.752 0.000) 15.231 5.457 ( -8.094 9.827 0.000) 12.731 5.687 ( 4.381 11.556 0.000) 12.359 5.727 ( 1.534 10.139 0.000) 10.254 5.803 ( -3.131 20.690 0.000) 20.925 6.054 ( -6.531 10.646 0.000) 12.490 6.164 ( 4.152 16.122 0.000) 16.648 6.289 ( 2.890 13.492 0.000) 13.798 6.310 ( 3.328 12.015 0.000) 12.468 6.381 ( -0.681 14.787 0.000) 14.803 6.509 ( 1.582 2.823 0.000) 3.237 6.608 ( 3.805 3.164 0.000) 4.949 6.700 ( -1.178 2.326 0.000) 2.608 6.872 ( -3.087 -1.225 0.000) 3.321 8.152 ( -0.291 4.845 0.000) 4.854 8.163 ( -0.067 2.463 0.000) 2.464 8.337 ( 1.743 -1.875 0.000) 2.560 8.439 ( -0.212 -0.825 0.000) 0.852 9.109 ( 4.989 8.014 0.000) 9.441 9.239 ( 7.162 5.291 0.000) 8.905 9.485 ( 0.461 -0.278 0.000) 0.538 9.572 ( 4.297 -3.444 0.000) 5.506 10.004 ( -0.703 5.422 0.000) 5.467 10.186 ( -1.630 -0.653 0.000) 1.756 10.241 ( 3.774 -2.606 0.000) 4.586 10.346 ( 4.634 -8.661 0.000) 9.823 10.365 ( 4.519 -1.798 0.000) 4.864 10.456 ( -6.565 7.249 0.000) 9.780 10.937 ( 4.262 7.222 0.000) 8.386 10.978 ( -7.297 -16.192 0.000) 17.760 11.244 ( -12.760 -9.403 0.000) 15.850 11.310 ( 3.351 10.069 0.000) 10.612 11.650 ( -3.736 9.577 0.000) 10.280 11.737 ( -6.432 2.692 0.000) 6.972 11.795 ( -0.288 -3.269 0.000) 3.282 12.010 ( -1.056 -8.322 0.000) 8.388 12.103 ( -3.568 1.573 0.000) 3.899 12.145 ( 8.552 -4.206 0.000) 9.530 12.396 ( -2.148 -11.653 0.000) 11.850 12.429 ( -3.433 3.754 0.000) 5.087 12.565 ( 2.177 -13.336 0.000) 13.512 12.762 ( -1.966 -1.974 0.000) 2.786 12.964 ( 6.069 5.502 0.000) 8.192 13.206 ( 6.461 -5.770 0.000) 8.662 13.234 ( 4.941 -0.215 0.000) 4.946 13.539 ( -9.218 4.839 0.000) 10.411 13.603 ( -6.695 1.277 0.000) 6.815 13.700 ( -3.144 8.617 0.000) 9.173 13.797 ( 2.947 -9.802 0.000) 10.236 14.035 ( -2.429 -4.190 0.000) 4.843 16.101 ( 4.446 1.339 0.000) 4.644 16.289 ( -1.974 0.524 0.000) 2.043 16.335 ( -0.315 -5.311 0.000) 5.320 16.459 ( -2.259 -2.895 0.000) 3.672 16.664 ( 1.849 -1.358 0.000) 2.294 16.698 ( -0.816 -4.369 0.000) 4.445 16.807 ( 3.686 -7.323 0.000) 8.199 16.898 ( 0.322 -6.218 0.000) 6.226 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -1.418 3.973 0.000) 4.219 2.570 ( -1.216 8.252 0.000) 8.341 2.676 ( 5.497 0.720 0.000) 5.544 2.747 ( 0.357 6.919 0.000) 6.928 2.761 ( 0.605 7.358 0.000) 7.383 2.816 ( -4.772 -0.460 0.000) 4.794 3.031 ( 0.071 1.097 0.000) 1.099 3.103 ( -4.911 -0.712 0.000) 4.962 3.264 ( 4.190 -2.655 0.000) 4.960 3.330 ( -1.967 -0.537 0.000) 2.039 3.500 ( 0.776 -4.959 0.000) 5.019 3.504 ( 3.569 3.906 0.000) 5.291 3.643 ( 0.148 3.165 0.000) 3.168 3.698 ( -1.323 13.015 0.000) 13.082 3.832 ( -1.900 3.580 0.000) 4.053 3.858 ( -4.958 2.572 0.000) 5.585 4.116 ( 1.608 -1.887 0.000) 2.480 4.130 ( -0.017 -4.161 0.000) 4.161 4.498 ( 5.753 -3.339 0.000) 6.651 4.534 ( 6.006 -8.827 0.000) 10.676 4.606 ( -4.162 1.458 0.000) 4.410 4.608 ( -1.180 -3.925 0.000) 4.099 4.981 ( 2.316 -3.374 0.000) 4.092 5.009 ( 1.997 -9.920 0.000) 10.119 5.176 ( 2.846 5.787 0.000) 6.449 5.185 ( 2.541 7.667 0.000) 8.077 5.227 ( -5.271 12.218 0.000) 13.307 5.296 ( -7.131 9.380 0.000) 11.783 5.729 ( 0.328 13.009 0.000) 13.013 5.748 ( -1.893 16.889 0.000) 16.995 5.794 ( 5.230 10.785 0.000) 11.987 5.915 ( -6.720 10.052 0.000) 12.091 6.252 ( 4.192 16.888 0.000) 17.401 6.320 ( -1.649 16.036 0.000) 16.120 6.358 ( 1.189 13.789 0.000) 13.841 6.361 ( 0.163 14.640 0.000) 14.641 6.576 ( 4.413 2.279 0.000) 4.967 6.657 ( -3.154 2.214 0.000) 3.853 6.695 ( 4.621 1.779 0.000) 4.952 6.790 ( -4.642 0.465 0.000) 4.665 8.150 ( 0.164 3.553 0.000) 3.557 8.157 ( -0.447 2.726 0.000) 2.762 8.381 ( 2.368 -1.879 0.000) 3.023 8.423 ( -1.514 -1.889 0.000) 2.421 9.250 ( 8.368 9.622 0.000) 12.752 9.390 ( -0.129 6.763 0.000) 6.764 9.466 ( 4.107 4.509 0.000) 6.099 9.603 ( -3.326 1.276 0.000) 3.562 10.053 ( 5.324 1.374 0.000) 5.499 10.148 ( -2.461 -1.912 0.000) 3.117 10.339 ( -2.161 -0.667 0.000) 2.262 10.350 ( 5.850 -4.160 0.000) 7.178 10.384 ( -1.529 -10.404 0.000) 10.516 10.443 ( 0.165 -6.253 0.000) 6.256 10.872 ( -1.272 -13.358 0.000) 13.418 10.935 ( -6.561 -9.059 0.000) 11.185 11.133 ( 6.784 6.118 0.000) 9.135 11.338 ( -7.982 2.664 0.000) 8.415 11.516 ( 3.931 12.376 0.000) 12.986 11.745 ( 2.263 8.647 0.000) 8.938 11.754 ( -13.977 6.511 0.000) 15.419 11.784 ( -2.724 2.554 0.000) 3.734 12.189 ( 4.686 -6.236 0.000) 7.800 12.229 ( 0.309 -2.758 0.000) 2.775 12.395 ( 0.429 -2.130 0.000) 2.173 12.415 ( 1.083 -11.454 0.000) 11.505 12.595 ( 2.842 -13.311 0.000) 13.611 12.694 ( -5.064 -10.007 0.000) 11.215 13.126 ( 9.528 4.126 0.000) 10.383 13.282 ( 5.409 -4.832 0.000) 7.253 13.330 ( -10.508 4.205 0.000) 11.318 13.430 ( 9.737 7.123 0.000) 12.064 13.434 ( -8.994 -0.271 0.000) 8.999 13.599 ( -6.797 7.945 0.000) 10.456 13.874 ( 4.454 -7.523 0.000) 8.743 13.965 ( -4.250 -5.353 0.000) 6.835 16.194 ( 3.905 0.229 0.000) 3.911 16.249 ( -1.972 0.025 0.000) 1.972 16.344 ( 1.620 -4.669 0.000) 4.942 16.399 ( -3.313 -4.022 0.000) 5.211 16.689 ( 0.505 -1.450 0.000) 1.535 16.691 ( 0.022 -2.545 0.000) 2.545 16.873 ( 2.474 -7.037 0.000) 7.459 16.900 ( -0.339 -6.398 0.000) 6.407 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 0.000 1.781 0.000) 1.781 2.650 ( 0.000 -1.304 0.000) 1.304 2.767 ( 0.000 9.324 0.000) 9.324 2.844 ( 0.000 2.661 0.000) 2.661 2.908 ( 0.000 -0.404 0.000) 0.404 2.918 ( 0.000 6.728 0.000) 6.728 2.975 ( 0.000 -7.736 0.000) 7.736 3.025 ( 0.000 -4.128 0.000) 4.128 3.363 ( 0.000 6.790 0.000) 6.790 3.454 ( 0.000 -2.546 0.000) 2.546 3.493 ( 0.000 2.977 0.000) 2.977 3.549 ( 0.000 -2.460 0.000) 2.460 3.633 ( 0.000 10.946 0.000) 10.946 3.837 ( 0.000 -9.284 0.000) 9.284 3.900 ( 0.000 0.897 0.000) 0.897 3.930 ( 0.000 0.241 0.000) 0.241 4.045 ( 0.000 1.207 0.000) 1.207 4.127 ( 0.000 -5.423 0.000) 5.423 4.157 ( 0.000 -0.471 0.000) 0.471 4.187 ( 0.000 -3.406 0.000) 3.406 4.608 ( 0.000 0.959 0.000) 0.959 4.669 ( 0.000 -5.198 0.000) 5.198 4.729 ( 0.000 4.050 0.000) 4.050 4.849 ( 0.000 -7.404 0.000) 7.404 5.221 ( 0.000 4.067 0.000) 4.067 5.233 ( 0.000 2.683 0.000) 2.683 5.668 ( 0.000 4.671 0.000) 4.671 5.688 ( 0.000 3.007 0.000) 3.007 5.797 ( 0.000 4.177 0.000) 4.177 5.807 ( 0.000 2.957 0.000) 2.957 6.193 ( 0.000 11.348 0.000) 11.348 6.289 ( 0.000 1.871 0.000) 1.871 6.329 ( 0.000 6.147 0.000) 6.147 6.372 ( 0.000 2.015 0.000) 2.015 6.428 ( 0.000 5.942 0.000) 5.942 6.499 ( 0.000 -1.259 0.000) 1.259 6.603 ( 0.000 6.123 0.000) 6.123 6.645 ( 0.000 1.789 0.000) 1.789 6.772 ( 0.000 3.554 0.000) 3.554 6.845 ( 0.000 -3.607 0.000) 3.607 8.223 ( 0.000 3.171 0.000) 3.171 8.278 ( 0.000 -2.229 0.000) 2.229 8.290 ( 0.000 7.008 0.000) 7.008 8.405 ( 0.000 -3.893 0.000) 3.893 9.213 ( 0.000 8.646 0.000) 8.646 9.280 ( 0.000 5.478 0.000) 5.478 9.383 ( 0.000 -4.796 0.000) 4.796 9.385 ( 0.000 -8.074 0.000) 8.074 10.103 ( 0.000 1.748 0.000) 1.748 10.164 ( 0.000 -4.608 0.000) 4.608 10.238 ( 0.000 2.057 0.000) 2.057 10.277 ( 0.000 -1.831 0.000) 1.831 10.340 ( 0.000 14.232 0.000) 14.232 10.684 ( 0.000 -19.167 0.000) 19.167 10.839 ( 0.000 17.977 0.000) 17.977 11.027 ( 0.000 7.592 0.000) 7.592 11.253 ( 0.000 -9.357 0.000) 9.357 11.300 ( 0.000 -22.678 0.000) 22.678 11.532 ( 0.000 13.222 0.000) 13.222 11.778 ( 0.000 -9.616 0.000) 9.616 11.848 ( 0.000 4.213 0.000) 4.213 11.891 ( 0.000 -0.880 0.000) 0.880 12.071 ( 0.000 4.987 0.000) 4.987 12.142 ( 0.000 -2.313 0.000) 2.313 12.289 ( 0.000 -3.989 0.000) 3.989 12.330 ( 0.000 -6.128 0.000) 6.128 12.642 ( 0.000 7.846 0.000) 7.846 12.800 ( 0.000 -5.197 0.000) 5.197 12.903 ( 0.000 0.195 0.000) 0.195 12.932 ( 0.000 -5.904 0.000) 5.904 13.324 ( 0.000 10.949 0.000) 10.949 13.544 ( 0.000 -11.100 0.000) 11.100 13.714 ( 0.000 2.737 0.000) 2.737 13.729 ( 0.000 1.551 0.000) 1.551 13.854 ( 0.000 4.816 0.000) 4.816 13.958 ( 0.000 -5.603 0.000) 5.603 16.122 ( 0.000 4.814 0.000) 4.814 16.228 ( 0.000 -5.604 0.000) 5.604 16.341 ( 0.000 2.132 0.000) 2.132 16.403 ( 0.000 -4.107 0.000) 4.107 16.650 ( 0.000 -1.297 0.000) 1.297 16.662 ( 0.000 -2.445 0.000) 2.445 16.691 ( 0.000 4.538 0.000) 4.538 16.786 ( 0.000 -4.853 0.000) 4.853 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 0.016 1.466 0.000) 1.467 2.636 ( -0.801 -1.096 0.000) 1.357 2.771 ( -0.743 8.193 0.000) 8.227 2.842 ( 0.175 3.112 0.000) 3.117 2.885 ( -2.388 0.003 0.000) 2.388 2.921 ( 0.133 7.546 0.000) 7.547 2.980 ( 0.328 -7.216 0.000) 7.224 3.049 ( 1.134 -5.355 0.000) 5.474 3.283 ( -4.182 6.067 0.000) 7.369 3.408 ( -3.995 -6.242 0.000) 7.411 3.459 ( -3.506 4.022 0.000) 5.336 3.523 ( -2.561 -1.371 0.000) 2.905 3.685 ( 4.542 6.864 0.000) 8.231 3.820 ( 0.102 -6.074 0.000) 6.075 3.908 ( 3.067 7.998 0.000) 8.566 3.973 ( -0.543 -0.064 0.000) 0.546 4.067 ( 1.678 1.863 0.000) 2.507 4.136 ( -1.281 2.491 0.000) 2.801 4.200 ( 6.452 -9.033 0.000) 11.101 4.238 ( 3.741 -7.062 0.000) 7.991 4.626 ( 1.698 3.031 0.000) 3.475 4.711 ( -1.564 4.260 0.000) 4.538 4.729 ( 4.713 -7.143 0.000) 8.557 4.836 ( -0.942 -7.613 0.000) 7.671 5.241 ( 1.991 3.922 0.000) 4.398 5.251 ( 1.725 2.821 0.000) 3.307 5.560 ( -7.795 5.271 0.000) 9.410 5.587 ( -7.944 2.687 0.000) 8.386 5.846 ( 3.499 4.266 0.000) 5.518 5.859 ( 3.013 2.970 0.000) 4.231 6.102 ( -6.098 9.216 0.000) 11.050 6.177 ( -7.149 1.436 0.000) 7.292 6.409 ( 5.294 7.904 0.000) 9.513 6.463 ( 4.945 2.660 0.000) 5.615 6.480 ( 4.381 5.945 0.000) 7.385 6.541 ( 3.493 -0.255 0.000) 3.502 6.598 ( -0.614 6.490 0.000) 6.519 6.651 ( 0.872 0.575 0.000) 1.044 6.759 ( -1.338 3.383 0.000) 3.638 6.827 ( -1.864 -3.117 0.000) 3.632 8.227 ( 0.282 3.539 0.000) 3.550 8.274 ( -1.358 6.672 0.000) 6.809 8.292 ( 1.265 -2.791 0.000) 3.064 8.390 ( -1.335 -4.381 0.000) 4.580 9.288 ( 6.867 9.430 0.000) 11.666 9.353 ( 6.996 5.797 0.000) 9.085 9.450 ( 5.950 -3.438 0.000) 6.872 9.462 ( 6.836 -7.472 0.000) 10.127 10.096 ( -1.051 3.115 0.000) 3.287 10.189 ( 1.303 -6.538 0.000) 6.666 10.208 ( -2.965 3.058 0.000) 4.259 10.292 ( 0.608 -4.629 0.000) 4.669 10.318 ( -0.655 11.414 0.000) 11.433 10.624 ( -4.613 -17.634 0.000) 18.227 10.668 ( -11.946 13.152 0.000) 17.768 10.947 ( -13.557 -12.680 0.000) 18.563 11.189 ( 6.491 11.299 0.000) 13.030 11.497 ( 8.751 -17.968 0.000) 19.986 11.538 ( -0.161 11.631 0.000) 11.632 11.719 ( -3.900 -3.693 0.000) 5.371 11.850 ( 1.440 7.051 0.000) 7.196 12.007 ( 7.724 -8.146 0.000) 11.225 12.051 ( -2.488 5.430 0.000) 5.973 12.122 ( -1.392 -0.849 0.000) 1.630 12.248 ( -2.176 -0.795 0.000) 2.317 12.346 ( 0.481 -8.630 0.000) 8.644 12.515 ( -8.304 5.247 0.000) 9.823 12.656 ( -9.265 -8.080 0.000) 12.293 13.025 ( 8.163 1.651 0.000) 8.329 13.062 ( 8.442 -2.785 0.000) 8.889 13.400 ( 6.947 9.438 0.000) 11.719 13.595 ( 4.771 -10.074 0.000) 11.146 13.617 ( -8.653 2.677 0.000) 9.058 13.635 ( -8.269 0.952 0.000) 8.324 13.828 ( -2.999 5.162 0.000) 5.970 13.934 ( -2.714 -5.497 0.000) 6.131 16.154 ( 2.777 3.592 0.000) 4.540 16.236 ( 0.792 -4.545 0.000) 4.613 16.315 ( -2.188 2.146 0.000) 3.064 16.377 ( -2.387 -4.010 0.000) 4.667 16.659 ( 1.202 0.214 0.000) 1.221 16.699 ( 2.955 -3.632 0.000) 4.682 16.706 ( 1.062 3.948 0.000) 4.089 16.793 ( 0.497 -4.621 0.000) 4.648 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 2.182 2.302 0.000) 3.171 2.665 ( 4.308 -1.194 0.000) 4.471 2.706 ( -4.644 5.281 0.000) 7.033 2.784 ( -6.276 -2.612 0.000) 6.798 2.881 ( 2.022 6.436 0.000) 6.747 2.913 ( -0.976 7.269 0.000) 7.334 2.997 ( 1.772 -4.522 0.000) 4.856 3.041 ( -1.861 -5.183 0.000) 5.507 3.268 ( 2.583 3.418 0.000) 4.284 3.358 ( -5.597 3.313 0.000) 6.504 3.373 ( 1.414 -6.484 0.000) 6.636 3.447 ( -4.722 -5.027 0.000) 6.897 3.791 ( 6.108 7.194 0.000) 9.438 3.886 ( 4.997 -1.034 0.000) 5.103 3.913 ( -5.059 4.854 0.000) 7.011 3.950 ( -0.365 4.838 0.000) 4.852 4.093 ( 1.037 4.096 0.000) 4.225 4.113 ( -0.978 5.302 0.000) 5.392 4.306 ( 2.371 -11.570 0.000) 11.810 4.308 ( 2.832 -12.567 0.000) 12.882 4.660 ( 1.281 5.810 0.000) 5.950 4.680 ( -1.162 5.772 0.000) 5.888 4.810 ( 2.473 -9.062 0.000) 9.394 4.827 ( 0.056 -8.547 0.000) 8.548 5.299 ( 3.758 4.062 0.000) 5.534 5.309 ( 4.271 3.157 0.000) 5.311 5.404 ( -6.851 5.090 0.000) 8.534 5.426 ( -7.243 2.959 0.000) 7.824 5.910 ( 3.133 5.094 0.000) 5.980 5.932 ( 4.431 2.900 0.000) 5.295 5.988 ( -4.810 7.194 0.000) 8.654 6.039 ( -6.204 1.987 0.000) 6.515 6.503 ( 3.796 7.655 0.000) 8.544 6.540 ( 2.479 3.960 0.000) 4.672 6.550 ( 0.818 6.404 0.000) 6.456 6.566 ( -1.327 5.352 0.000) 5.514 6.630 ( 4.338 3.081 0.000) 5.321 6.695 ( 3.518 -2.003 0.000) 4.048 6.713 ( -3.343 3.056 0.000) 4.529 6.771 ( -3.532 -2.349 0.000) 4.242 8.233 ( 0.422 4.557 0.000) 4.576 8.247 ( -1.035 5.771 0.000) 5.863 8.323 ( 1.700 -3.972 0.000) 4.321 8.358 ( -1.735 -4.703 0.000) 5.013 9.452 ( 8.100 9.811 0.000) 12.723 9.520 ( 6.054 5.557 0.000) 8.218 9.557 ( 3.494 2.644 0.000) 4.382 9.596 ( 3.799 -3.455 0.000) 5.135 10.078 ( 0.997 1.344 0.000) 1.674 10.126 ( -4.019 1.991 0.000) 4.485 10.178 ( -1.341 -8.855 0.000) 8.956 10.247 ( -5.846 -8.618 0.000) 10.414 10.356 ( 3.888 6.413 0.000) 7.499 10.461 ( -7.112 8.719 0.000) 11.251 10.578 ( 1.536 -14.289 0.000) 14.371 10.691 ( -9.714 -13.222 0.000) 16.407 11.338 ( 7.591 13.271 0.000) 15.289 11.481 ( -5.779 10.381 0.000) 11.881 11.626 ( 3.964 -13.914 0.000) 14.468 11.668 ( -1.155 -3.638 0.000) 3.817 11.889 ( 2.443 10.517 0.000) 10.797 11.964 ( -5.000 10.922 0.000) 12.012 12.116 ( 0.707 -2.678 0.000) 2.770 12.121 ( 1.668 -8.416 0.000) 8.580 12.267 ( 5.226 -1.553 0.000) 5.452 12.359 ( 1.829 -8.648 0.000) 8.840 12.378 ( -5.295 0.283 0.000) 5.303 12.471 ( -8.574 -9.645 0.000) 12.905 13.201 ( 9.435 2.911 0.000) 9.874 13.239 ( 9.274 -1.153 0.000) 9.346 13.409 ( -10.941 3.002 0.000) 11.345 13.439 ( -10.334 -0.133 0.000) 10.335 13.568 ( 8.783 7.011 0.000) 11.238 13.717 ( 6.734 -7.877 0.000) 10.363 13.728 ( -6.697 5.750 0.000) 8.827 13.847 ( -5.700 -6.143 0.000) 8.380 16.215 ( 2.891 1.750 0.000) 3.380 16.264 ( 2.086 -3.224 0.000) 3.840 16.267 ( -2.422 1.712 0.000) 2.966 16.318 ( -3.072 -3.480 0.000) 4.642 16.692 ( 1.724 2.104 0.000) 2.720 16.716 ( -0.380 3.134 0.000) 3.157 16.760 ( 2.641 -4.500 0.000) 5.217 16.794 ( -0.690 -4.525 0.000) 4.578 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 0.000 0.000 28.100) 28.100 0.639 ( 0.000 0.000 28.827) 28.827 1.126 ( 0.000 0.000 50.448) 50.448 1.632 ( 0.000 0.000 -14.076) 14.076 1.689 ( 0.000 0.000 -18.835) 18.835 2.097 ( 0.000 0.000 0.020) 0.020 2.182 ( 0.000 0.000 12.491) 12.491 2.277 ( 0.000 0.000 -4.061) 4.061 2.488 ( 0.000 0.000 4.822) 4.822 2.491 ( 0.000 0.000 13.990) 13.990 2.560 ( 0.000 0.000 5.454) 5.454 2.569 ( 0.000 0.000 -1.184) 1.184 2.603 ( 0.000 0.000 -2.774) 2.774 2.789 ( 0.000 0.000 0.136) 0.136 2.833 ( 0.000 0.000 -0.466) 0.466 2.839 ( 0.000 0.000 -5.026) 5.026 2.873 ( 0.000 0.000 -5.248) 5.248 2.892 ( 0.000 0.000 -13.603) 13.603 3.105 ( 0.000 0.000 -17.113) 17.113 3.110 ( 0.000 0.000 4.427) 4.427 3.254 ( 0.000 0.000 -1.876) 1.876 3.282 ( 0.000 0.000 -21.486) 21.486 3.754 ( 0.000 0.000 0.757) 0.757 3.838 ( 0.000 0.000 10.014) 10.014 4.265 ( 0.000 0.000 18.739) 18.739 4.415 ( 0.000 0.000 -8.532) 8.532 4.499 ( 0.000 0.000 -8.640) 8.640 4.888 ( 0.000 0.000 6.963) 6.963 4.980 ( 0.000 0.000 -1.364) 1.364 5.020 ( 0.000 0.000 6.115) 6.115 5.366 ( 0.000 0.000 -12.736) 12.736 5.417 ( 0.000 0.000 4.688) 4.688 5.677 ( 0.000 0.000 4.757) 4.757 5.847 ( 0.000 0.000 -1.984) 1.984 5.865 ( 0.000 0.000 3.806) 3.806 5.937 ( 0.000 0.000 -4.275) 4.275 6.293 ( 0.000 0.000 0.358) 0.358 6.449 ( 0.000 0.000 -4.195) 4.195 7.099 ( 0.000 0.000 9.799) 9.799 7.312 ( 0.000 0.000 1.003) 1.003 8.088 ( 0.000 0.000 5.799) 5.799 8.394 ( 0.000 0.000 6.533) 6.533 8.399 ( 0.000 0.000 3.649) 3.649 8.511 ( 0.000 0.000 -8.626) 8.626 8.783 ( 0.000 0.000 -8.332) 8.332 8.826 ( 0.000 0.000 -9.261) 9.261 8.883 ( 0.000 0.000 1.686) 1.686 8.896 ( 0.000 0.000 0.518) 0.518 9.144 ( 0.000 0.000 6.802) 6.802 9.320 ( 0.000 0.000 -0.818) 0.818 9.934 ( 0.000 0.000 2.777) 2.777 10.011 ( 0.000 0.000 5.405) 5.405 10.039 ( 0.000 0.000 -1.287) 1.287 10.300 ( 0.000 0.000 -5.800) 5.800 10.650 ( 0.000 0.000 0.719) 0.719 10.689 ( 0.000 0.000 1.031) 1.031 10.739 ( 0.000 0.000 -0.819) 0.819 11.062 ( 0.000 0.000 13.247) 13.247 11.167 ( 0.000 0.000 -16.865) 16.865 11.449 ( 0.000 0.000 -3.938) 3.938 11.489 ( 0.000 0.000 0.725) 0.725 11.536 ( 0.000 0.000 -0.987) 0.987 11.724 ( 0.000 0.000 4.065) 4.065 11.763 ( 0.000 0.000 -0.232) 0.232 12.845 ( 0.000 0.000 0.438) 0.438 12.859 ( 0.000 0.000 0.029) 0.029 12.878 ( 0.000 0.000 7.800) 7.800 12.884 ( 0.000 0.000 -0.252) 0.252 12.887 ( 0.000 0.000 -0.227) 0.227 13.245 ( 0.000 0.000 -5.064) 5.064 13.351 ( 0.000 0.000 0.599) 0.599 13.431 ( 0.000 0.000 -3.026) 3.026 14.264 ( 0.000 0.000 1.963) 1.963 14.305 ( 0.000 0.000 0.531) 0.531 14.581 ( 0.000 0.000 2.332) 2.332 14.741 ( 0.000 0.000 -3.493) 3.493 16.230 ( 0.000 0.000 1.254) 1.254 16.288 ( 0.000 0.000 -0.714) 0.714 16.696 ( 0.000 0.000 -0.550) 0.550 16.749 ( 0.000 0.000 -3.007) 3.007 17.968 ( 0.000 0.000 5.091) 5.091 18.216 ( 0.000 0.000 -4.543) 4.543 18.526 ( 0.000 0.000 2.815) 2.815 18.638 ( 0.000 0.000 -1.136) 1.136 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 17.333 0.000 20.937) 27.181 0.898 ( 20.985 0.000 20.153) 29.095 1.397 ( 25.612 0.000 37.729) 45.601 1.678 ( 3.940 0.000 -11.057) 11.738 1.784 ( 7.812 0.000 -17.228) 18.917 1.981 ( -10.266 0.000 0.101) 10.266 2.099 ( -10.608 0.000 10.251) 14.752 2.199 ( -6.672 0.000 -4.498) 8.046 2.502 ( 1.384 0.000 4.868) 5.061 2.518 ( -4.011 0.000 2.235) 4.592 2.556 ( 1.705 0.000 0.440) 1.760 2.614 ( 7.282 0.000 6.905) 10.035 2.623 ( 1.664 0.000 0.695) 1.804 2.734 ( -4.920 0.000 -1.838) 5.252 2.840 ( 3.572 0.000 1.579) 3.905 2.869 ( 0.720 0.000 -8.451) 8.481 2.930 ( 4.003 0.000 -6.855) 7.938 2.952 ( 4.023 0.000 -3.153) 5.111 3.103 ( -0.426 0.000 3.861) 3.884 3.139 ( 4.343 0.000 -14.062) 14.717 3.235 ( -1.793 0.000 -1.801) 2.541 3.336 ( 4.011 0.000 -15.668) 16.173 3.619 ( -8.495 0.000 6.617) 10.768 3.863 ( 0.994 0.000 0.537) 1.130 4.114 ( -8.621 0.000 13.344) 15.886 4.241 ( -13.124 0.000 -8.173) 15.461 4.573 ( -0.319 0.000 -16.685) 16.688 4.819 ( -14.242 0.000 -9.448) 17.091 4.985 ( -3.850 0.000 13.203) 13.753 5.149 ( 14.051 0.000 2.471) 14.267 5.258 ( 2.258 0.000 2.736) 3.547 5.510 ( 4.037 0.000 -2.393) 4.693 5.677 ( -4.712 0.000 4.093) 6.241 5.704 ( -6.671 0.000 2.295) 7.054 5.997 ( 5.425 0.000 -2.791) 6.101 6.004 ( 7.065 0.000 -0.793) 7.109 6.296 ( 3.148 0.000 1.369) 3.432 6.563 ( 8.021 0.000 -7.164) 10.754 7.052 ( -7.276 0.000 8.719) 11.356 7.279 ( -1.691 0.000 -1.451) 2.228 8.103 ( 1.557 0.000 5.693) 5.902 8.346 ( -4.676 0.000 4.160) 6.258 8.510 ( 7.657 0.000 4.311) 8.787 8.521 ( 0.992 0.000 -8.709) 8.766 8.716 ( -5.043 0.000 -7.251) 8.833 8.726 ( -5.664 0.000 7.316) 9.252 8.821 ( -2.879 0.000 -3.734) 4.715 8.905 ( -0.075 0.000 -0.084) 0.112 9.246 ( 8.339 0.000 5.293) 9.877 9.392 ( 6.196 0.000 -0.516) 6.218 9.889 ( -4.072 0.000 2.643) 4.854 9.994 ( -4.328 0.000 -1.339) 4.530 10.178 ( 15.841 0.000 2.893) 16.103 10.372 ( 4.945 0.000 -2.980) 5.773 10.644 ( -0.841 0.000 0.250) 0.877 10.699 ( 0.885 0.000 0.839) 1.219 10.739 ( -0.102 0.000 -0.621) 0.629 10.890 ( -8.334 0.000 0.617) 8.357 11.428 ( 14.359 0.000 -7.872) 16.375 11.495 ( 0.555 0.000 0.552) 0.783 11.533 ( -0.308 0.000 -0.831) 0.886 11.538 ( 7.938 0.000 -3.407) 8.639 11.775 ( 2.945 0.000 1.172) 3.169 11.918 ( 10.364 0.000 -5.514) 11.740 12.711 ( -16.978 0.000 9.098) 19.262 12.846 ( 0.098 0.000 0.409) 0.420 12.857 ( -0.164 0.000 0.083) 0.184 12.884 ( 0.017 0.000 -0.264) 0.264 12.887 ( -0.023 0.000 -0.241) 0.242 12.963 ( -27.625 0.000 6.890) 28.472 13.250 ( -2.384 0.000 -1.249) 2.692 13.308 ( -3.283 0.000 -1.588) 3.647 14.228 ( -1.644 0.000 2.612) 3.086 14.275 ( -2.401 0.000 1.598) 2.884 14.609 ( 2.529 0.000 2.102) 3.289 14.739 ( -0.607 0.000 -2.490) 2.562 16.304 ( 5.878 0.000 0.795) 5.931 16.431 ( 7.872 0.000 -5.960) 9.874 16.716 ( 2.280 0.000 -1.317) 2.633 16.813 ( 3.454 0.000 -3.707) 5.067 17.972 ( 0.568 0.000 4.111) 4.150 18.193 ( -3.349 0.000 -3.193) 4.627 18.397 ( -10.785 0.000 8.865) 13.961 18.472 ( -5.480 0.000 2.193) 5.903 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 20.332 0.000 12.499) 23.867 1.324 ( 20.807 0.000 17.419) 27.136 1.616 ( -15.065 0.000 6.854) 16.551 1.724 ( -17.590 0.000 12.798) 21.753 1.880 ( 5.500 0.000 -10.754) 12.079 2.020 ( 24.206 0.000 3.203) 24.417 2.040 ( -8.610 0.000 -7.292) 11.283 2.067 ( 20.218 0.000 1.238) 20.256 2.320 ( -12.096 0.000 -9.610) 15.448 2.550 ( 3.256 0.000 2.610) 4.173 2.598 ( 1.772 0.000 -0.189) 1.782 2.621 ( -1.944 0.000 0.286) 1.965 2.643 ( -3.188 0.000 -0.427) 3.217 2.663 ( -20.726 0.000 3.879) 21.085 2.895 ( 11.996 0.000 12.202) 17.111 2.926 ( 4.196 0.000 2.001) 4.648 2.987 ( -1.176 0.000 0.448) 1.258 3.012 ( 2.657 0.000 2.525) 3.666 3.120 ( 2.607 0.000 0.333) 2.628 3.184 ( -3.140 0.000 -1.456) 3.461 3.199 ( 1.477 0.000 -3.661) 3.948 3.305 ( -7.971 0.000 -2.875) 8.473 3.601 ( 9.227 0.000 -2.631) 9.595 3.891 ( -16.890 0.000 -10.269) 19.767 3.968 ( 12.533 0.000 -7.050) 14.379 4.150 ( 5.798 0.000 -5.415) 7.933 4.368 ( -14.371 0.000 -12.361) 18.955 4.486 ( -16.358 0.000 -10.637) 19.512 5.055 ( 9.099 0.000 9.081) 12.855 5.241 ( -6.108 0.000 1.945) 6.411 5.369 ( 6.781 0.000 5.578) 8.781 5.483 ( -4.543 0.000 1.358) 4.741 5.639 ( 1.423 0.000 3.110) 3.420 5.653 ( -0.173 0.000 0.828) 0.846 6.074 ( 2.513 0.000 -0.480) 2.558 6.090 ( 1.198 0.000 0.190) 1.213 6.447 ( 9.973 0.000 1.409) 10.072 6.624 ( -4.967 0.000 -2.546) 5.582 6.991 ( 5.296 0.000 4.855) 7.185 7.169 ( -8.979 0.000 -2.005) 9.200 8.153 ( 3.434 0.000 5.358) 6.364 8.241 ( -5.119 0.000 4.815) 7.028 8.554 ( 2.383 0.000 -8.188) 8.528 8.598 ( 3.296 0.000 1.347) 3.561 8.620 ( -4.121 0.000 -7.383) 8.455 8.696 ( -4.797 0.000 -2.045) 5.215 8.790 ( 4.935 0.000 6.327) 8.024 8.884 ( -2.823 0.000 2.803) 3.978 9.424 ( 8.104 0.000 4.103) 9.083 9.503 ( 2.126 0.000 1.428) 2.561 9.813 ( -1.300 0.000 1.030) 1.659 9.880 ( -6.108 0.000 -1.175) 6.220 10.482 ( 5.809 0.000 0.683) 5.849 10.531 ( 13.260 0.000 -2.964) 13.587 10.601 ( -1.528 0.000 1.296) 2.004 10.719 ( 0.935 0.000 0.384) 1.011 10.733 ( -0.488 0.000 -0.153) 0.511 10.759 ( -6.096 0.000 -3.131) 6.853 11.509 ( 0.772 0.000 0.110) 0.780 11.524 ( -0.620 0.000 -0.417) 0.747 11.617 ( 8.043 0.000 1.722) 8.226 11.759 ( 3.223 0.000 2.448) 4.047 11.869 ( 8.879 0.000 -3.213) 9.443 12.004 ( -0.104 0.000 -3.709) 3.711 12.359 ( -10.772 0.000 6.883) 12.783 12.471 ( -19.907 0.000 4.241) 20.354 12.849 ( 0.190 0.000 0.325) 0.377 12.853 ( -0.232 0.000 0.204) 0.309 12.885 ( 0.038 0.000 -0.276) 0.279 12.886 ( -0.041 0.000 -0.267) 0.270 13.235 ( 0.720 0.000 -3.352) 3.428 13.263 ( -1.703 0.000 -3.501) 3.894 14.210 ( -0.111 0.000 1.504) 1.508 14.228 ( -1.847 0.000 1.129) 2.165 14.666 ( 2.773 0.000 1.097) 2.982 14.714 ( -1.866 0.000 -0.583) 1.955 16.438 ( 6.313 0.000 1.395) 6.466 16.512 ( -0.076 0.000 -0.759) 0.763 16.774 ( 3.201 0.000 -2.746) 4.218 16.830 ( -1.612 0.000 -2.908) 3.325 18.001 ( 2.616 0.000 1.946) 3.260 18.083 ( -5.496 0.000 1.275) 5.642 18.319 ( 0.468 0.000 1.813) 1.872 18.368 ( -4.171 0.000 0.690) 4.228 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.000 18.055 20.093) 27.013 0.913 ( 0.000 20.340 21.863) 29.862 1.568 ( 0.000 38.086 29.179) 47.979 1.753 ( 0.000 7.204 -13.482) 15.286 1.828 ( 0.000 16.077 -15.547) 22.365 2.226 ( 0.000 5.790 10.471) 11.965 2.274 ( 0.000 15.996 0.564) 16.006 2.449 ( 0.000 10.047 2.597) 10.377 2.522 ( 0.000 9.225 6.164) 11.095 2.539 ( 0.000 4.276 1.332) 4.479 2.697 ( 0.000 6.967 -2.657) 7.457 2.704 ( 0.000 13.403 7.314) 15.269 2.758 ( 0.000 14.674 0.797) 14.696 2.765 ( 0.000 3.157 -6.339) 7.081 2.866 ( 0.000 3.420 -3.467) 4.870 2.973 ( 0.000 15.618 -2.467) 15.811 2.995 ( 0.000 15.395 -0.811) 15.417 3.101 ( 0.000 4.990 -11.896) 12.900 3.142 ( 0.000 13.818 -9.917) 17.008 3.292 ( 0.000 15.824 3.336) 16.171 3.333 ( 0.000 5.497 -16.850) 17.723 3.440 ( 0.000 17.737 -2.014) 17.851 3.782 ( 0.000 3.368 -3.101) 4.578 3.840 ( 0.000 1.359 10.014) 10.106 4.258 ( 0.000 -0.255 20.253) 20.255 4.420 ( 0.000 0.575 -9.099) 9.118 4.474 ( 0.000 -1.259 -9.789) 9.869 4.890 ( 0.000 0.136 5.220) 5.221 4.962 ( 0.000 -1.437 0.273) 1.462 5.006 ( 0.000 -1.337 7.594) 7.711 5.300 ( 0.000 -6.863 9.396) 11.636 5.334 ( 0.000 -2.999 -12.527) 12.881 5.652 ( 0.000 -2.313 4.746) 5.279 5.827 ( 0.000 -1.650 -1.975) 2.573 5.836 ( 0.000 -2.675 4.157) 4.944 5.934 ( 0.000 -0.012 -4.742) 4.742 6.290 ( 0.000 -0.165 0.244) 0.294 6.412 ( 0.000 -3.216 -3.114) 4.476 7.032 ( 0.000 -5.527 6.825) 8.783 7.210 ( 0.000 -8.197 -0.652) 8.222 8.318 ( 0.000 10.624 -5.257) 11.854 8.367 ( 0.000 -2.435 5.312) 5.843 8.513 ( 0.000 4.591 -5.252) 6.976 8.652 ( 0.000 15.859 1.585) 15.938 8.769 ( 0.000 -3.560 -7.841) 8.611 8.853 ( 0.000 -0.480 2.748) 2.790 8.856 ( 0.000 -1.987 -1.608) 2.556 8.944 ( 0.000 11.231 -5.020) 12.301 9.349 ( 0.000 17.965 5.169) 18.694 9.497 ( 0.000 16.214 -0.949) 16.241 9.982 ( 0.000 -1.928 7.515) 7.758 10.045 ( 0.000 10.027 2.903) 10.439 10.158 ( 0.000 10.554 -1.319) 10.636 10.334 ( 0.000 2.417 -4.917) 5.479 10.587 ( 0.000 -2.765 0.273) 2.778 10.747 ( 0.000 0.394 -2.747) 2.775 10.775 ( 0.000 5.984 2.553) 6.506 11.050 ( 0.000 -0.578 11.017) 11.032 11.185 ( 0.000 -3.451 -10.017) 10.595 11.408 ( 0.000 -2.693 -4.079) 4.888 11.490 ( 0.000 0.356 -8.903) 8.910 11.509 ( 0.000 -1.804 -2.200) 2.845 11.906 ( 0.000 11.463 0.348) 11.468 11.962 ( 0.000 15.049 -6.074) 16.228 12.681 ( 0.000 -13.225 1.435) 13.303 12.685 ( 0.000 -13.872 -0.703) 13.889 12.840 ( 0.000 -1.147 4.383) 4.531 12.846 ( 0.000 -3.419 1.840) 3.883 12.921 ( 0.000 2.650 3.887) 4.704 13.263 ( 0.000 1.306 -7.164) 7.282 13.404 ( 0.000 4.601 1.753) 4.923 13.495 ( 0.000 5.217 -1.318) 5.381 14.259 ( 0.000 -4.956 1.586) 5.204 14.289 ( 0.000 1.680 -0.046) 1.681 14.522 ( 0.000 -5.743 1.640) 5.973 14.660 ( 0.000 -7.906 -3.382) 8.600 16.321 ( 0.000 2.329 -0.121) 2.332 16.369 ( 0.000 6.626 -5.745) 8.770 16.698 ( 0.000 0.194 -2.861) 2.868 16.704 ( 0.000 -4.231 -2.239) 4.787 17.896 ( 0.000 -7.068 4.603) 8.434 18.110 ( 0.000 -10.579 -2.976) 10.990 18.352 ( 0.000 -19.103 10.667) 21.880 18.406 ( 0.000 -11.485 2.076) 11.672 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 17.136 13.476 16.629) 27.419 1.077 ( 13.988 15.869 19.171) 28.548 1.744 ( 13.963 24.244 9.683) 29.606 1.840 ( 8.617 16.336 1.352) 18.519 1.905 ( 7.087 15.374 -13.648) 21.745 2.129 ( -9.462 5.060 8.567) 13.730 2.160 ( -10.228 15.878 0.844) 18.906 2.389 ( -6.378 15.747 -3.530) 17.353 2.514 ( -2.696 3.552 -4.106) 6.062 2.585 ( 7.618 2.771 13.295) 15.571 2.651 ( -1.491 9.723 0.870) 9.875 2.744 ( 0.335 9.973 -1.986) 10.174 2.776 ( 0.424 13.474 0.452) 13.488 2.815 ( 3.655 7.463 2.221) 8.602 2.909 ( -0.916 11.571 -1.282) 11.677 2.938 ( 4.041 8.616 -2.864) 9.938 3.061 ( 4.271 14.116 -1.131) 14.791 3.145 ( 1.374 13.969 -4.598) 14.770 3.173 ( 4.624 6.275 -12.561) 14.783 3.293 ( 0.475 15.665 1.925) 15.790 3.381 ( 3.560 5.455 -11.688) 13.380 3.422 ( -1.757 17.577 -1.838) 17.760 3.645 ( -8.407 3.350 4.817) 10.252 3.890 ( 1.624 3.382 -2.003) 4.252 4.110 ( -8.737 -0.093 13.812) 16.343 4.238 ( -13.044 -0.164 -7.562) 15.079 4.536 ( -0.994 -2.518 -15.088) 15.329 4.795 ( -13.405 -1.816 -10.546) 17.152 4.978 ( -2.036 -0.448 14.193) 14.346 5.098 ( 12.134 -3.173 7.699) 14.717 5.230 ( 2.879 -2.622 2.165) 4.455 5.462 ( 4.288 -4.070 -2.873) 6.573 5.643 ( -2.724 -3.335 4.062) 5.920 5.671 ( -7.777 -2.426 2.173) 8.431 5.953 ( 6.069 -3.970 0.135) 7.253 5.989 ( 4.046 -0.879 -2.718) 4.953 6.294 ( 3.199 -0.015 1.699) 3.622 6.530 ( 8.136 -2.677 -6.291) 10.627 6.949 ( -6.823 -6.992 8.666) 13.059 7.197 ( -2.154 -6.986 -2.070) 7.598 8.317 ( 1.753 9.726 -3.492) 10.482 8.459 ( 4.887 -1.705 1.531) 5.398 8.504 ( -0.492 4.930 -3.141) 5.866 8.615 ( -4.100 12.307 -1.161) 13.024 8.718 ( -1.035 -0.287 -0.031) 1.074 8.853 ( -2.249 8.804 0.538) 9.103 8.856 ( -0.992 2.834 -2.517) 3.918 8.931 ( -0.107 6.696 -1.241) 6.811 9.407 ( 6.007 15.658 5.045) 17.513 9.540 ( 4.048 13.963 -0.332) 14.541 9.992 ( -3.571 8.610 3.016) 9.797 10.093 ( -5.730 9.159 -0.360) 10.810 10.161 ( 15.015 -0.568 4.384) 15.652 10.380 ( 4.377 1.500 -3.017) 5.523 10.604 ( 1.074 -1.894 0.249) 2.191 10.744 ( -1.040 0.242 -2.226) 2.469 10.768 ( -0.143 5.249 1.246) 5.397 10.900 ( -6.754 0.842 1.519) 6.973 11.362 ( 6.058 -6.059 1.554) 8.708 11.442 ( -1.890 -3.030 -0.955) 3.697 11.503 ( 11.495 0.028 -5.609) 12.791 11.583 ( 5.715 0.163 -6.373) 8.562 11.871 ( -1.459 8.103 1.964) 8.464 12.027 ( 2.263 7.361 -7.694) 10.886 12.621 ( -8.071 -12.246 5.981) 15.839 12.673 ( -3.456 -11.626 0.575) 12.143 12.719 ( -8.637 -3.609 1.635) 9.503 12.845 ( -0.880 -2.872 1.118) 3.205 12.882 ( -2.673 0.964 2.739) 3.947 13.067 ( -18.889 3.757 -3.244) 19.530 13.366 ( -0.184 8.453 0.418) 8.465 13.405 ( -1.840 8.051 -0.623) 8.282 14.221 ( -1.767 -2.240 1.951) 3.456 14.272 ( -2.523 -0.911 0.473) 2.724 14.562 ( 3.189 -4.679 1.458) 5.847 14.673 ( 0.538 -6.754 -2.535) 7.234 16.342 ( 3.732 2.536 0.569) 4.548 16.453 ( 4.745 1.028 -4.850) 6.863 16.696 ( 1.939 -2.286 -1.517) 3.360 16.784 ( 3.500 -2.503 -3.580) 5.598 17.897 ( 0.313 -7.314 3.748) 8.224 18.080 ( -3.494 -10.846 -0.762) 11.420 18.263 ( -4.583 -11.399 7.456) 14.371 18.357 ( -4.324 -10.905 1.423) 11.817 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 18.719 12.398 13.686) 26.295 1.420 ( 20.290 9.736 12.436) 25.712 1.746 ( -13.895 7.176 8.151) 17.636 1.818 ( -17.622 12.560 8.084) 23.101 2.063 ( 6.613 14.170 -10.111) 18.621 2.104 ( 11.370 9.110 -12.692) 19.322 2.224 ( -2.218 16.382 -3.859) 16.976 2.267 ( 15.357 20.433 7.768) 26.714 2.363 ( -9.645 5.136 -9.290) 14.342 2.625 ( -4.302 7.530 0.965) 8.726 2.709 ( -2.127 10.192 3.091) 10.861 2.746 ( 1.205 11.979 1.934) 12.194 2.806 ( -1.980 13.511 1.908) 13.788 2.817 ( -1.557 15.165 2.837) 15.506 2.921 ( 8.059 3.802 10.788) 13.993 3.039 ( 3.252 6.701 4.629) 8.770 3.132 ( -0.359 15.972 0.633) 15.988 3.151 ( 0.085 15.457 0.678) 15.472 3.217 ( 0.772 4.891 -1.499) 5.174 3.295 ( -1.535 11.958 -0.729) 12.078 3.369 ( -3.457 13.975 -1.029) 14.433 3.381 ( -3.002 13.080 -1.880) 13.551 3.616 ( 8.791 2.201 -2.297) 9.350 3.896 ( -16.108 0.723 -8.930) 18.431 3.976 ( 10.965 1.093 -6.176) 12.632 4.154 ( 5.786 0.826 -7.036) 9.147 4.345 ( -12.703 -1.900 -11.323) 17.123 4.482 ( -15.787 -0.040 -12.001) 19.830 5.050 ( 8.224 -0.353 9.231) 12.368 5.209 ( -4.013 -2.618 4.818) 6.795 5.338 ( 6.301 -2.811 3.354) 7.671 5.439 ( -3.905 -3.808 0.667) 5.495 5.600 ( 0.317 -3.590 4.680) 5.907 5.607 ( -0.894 -4.217 2.495) 4.980 6.038 ( 2.372 -4.017 -0.139) 4.667 6.050 ( 1.306 -2.960 -1.039) 3.398 6.432 ( 9.069 -0.841 2.221) 9.375 6.596 ( -4.741 -1.966 -1.592) 5.374 6.906 ( 6.037 -6.493 3.515) 9.538 7.085 ( -8.658 -6.582 -2.417) 11.141 8.387 ( 4.749 12.395 -3.368) 13.694 8.476 ( -2.373 15.861 -0.042) 16.038 8.506 ( -0.377 -2.551 -1.614) 3.042 8.528 ( -2.950 -1.769 -4.633) 5.770 8.743 ( 2.394 6.936 0.982) 7.403 8.803 ( -3.442 7.783 -0.174) 8.512 8.847 ( 2.584 9.021 2.888) 9.818 8.910 ( -2.400 5.108 2.347) 6.113 9.559 ( 7.428 12.562 3.699) 15.055 9.624 ( 2.249 11.516 1.401) 11.817 9.911 ( -2.446 9.231 1.703) 9.700 9.961 ( -6.184 8.041 0.257) 10.147 10.478 ( 7.585 -1.265 -0.463) 7.704 10.513 ( 12.219 -0.212 -1.741) 12.344 10.591 ( -2.444 -0.064 0.728) 2.551 10.690 ( -3.087 -1.940 -2.506) 4.424 10.793 ( 1.106 5.111 1.107) 5.345 10.815 ( -2.316 4.042 -0.731) 4.715 11.415 ( 1.497 -6.166 1.045) 6.431 11.429 ( 0.075 -5.520 1.066) 5.622 11.680 ( 4.543 2.165 2.090) 5.449 11.777 ( 5.581 0.938 0.027) 5.659 11.898 ( 5.839 2.236 -2.722) 6.819 12.000 ( -1.238 -0.730 -2.985) 3.313 12.345 ( -9.758 -1.515 6.576) 11.864 12.462 ( -17.455 -0.501 1.871) 17.562 12.659 ( 0.132 -13.228 -2.660) 13.494 12.707 ( -5.230 -8.656 -3.598) 10.734 12.872 ( 0.776 -0.833 1.730) 2.071 12.893 ( -1.628 1.060 0.764) 2.088 13.390 ( 1.524 10.673 -1.353) 10.866 13.403 ( 0.256 9.803 -1.596) 9.936 14.199 ( -0.279 -2.019 1.209) 2.370 14.218 ( -2.131 -1.805 0.764) 2.895 14.625 ( 2.731 -4.349 0.573) 5.168 14.666 ( -1.218 -5.119 -0.880) 5.335 16.445 ( 5.229 0.399 1.212) 5.382 16.507 ( -0.136 -0.684 -0.525) 0.873 16.751 ( 3.052 -2.447 -2.146) 4.462 16.803 ( -1.455 -2.606 -2.497) 3.892 17.919 ( 2.169 -7.975 1.698) 8.438 17.988 ( -4.502 -9.115 1.139) 10.230 18.230 ( 0.523 -8.707 1.527) 8.856 18.270 ( -3.462 -9.434 0.600) 10.067 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 22.411 11.749) 25.304 1.349 ( 0.000 22.369 13.064) 25.905 1.910 ( 0.000 10.684 -13.401) 17.138 2.116 ( 0.000 11.975 -14.056) 18.465 2.424 ( 0.000 11.757 2.102) 11.943 2.462 ( 0.000 38.234 18.224) 42.355 2.528 ( 0.000 8.764 9.752) 13.111 2.570 ( 0.000 6.527 0.090) 6.527 2.707 ( 0.000 4.592 -5.716) 7.332 2.744 ( 0.000 20.104 1.676) 20.173 2.926 ( 0.000 8.154 -11.236) 13.883 2.936 ( 0.000 8.513 -0.739) 8.545 2.992 ( 0.000 23.339 -2.562) 23.479 3.056 ( 0.000 17.517 8.698) 19.557 3.158 ( 0.000 22.300 0.310) 22.302 3.260 ( 0.000 13.541 -3.282) 13.933 3.389 ( 0.000 21.339 0.708) 21.351 3.408 ( 0.000 25.848 -1.950) 25.921 3.509 ( 0.000 18.520 -6.249) 19.546 3.516 ( 0.000 13.370 0.208) 13.372 3.642 ( 0.000 17.584 7.593) 19.153 3.898 ( 0.000 23.537 -5.929) 24.272 3.948 ( 0.000 17.954 -12.066) 21.632 3.948 ( 0.000 10.580 6.497) 12.416 4.293 ( 0.000 5.796 17.732) 18.655 4.442 ( 0.000 1.808 -9.549) 9.718 4.463 ( 0.000 0.297 -12.634) 12.638 4.891 ( 0.000 -0.085 -0.137) 0.161 4.936 ( 0.000 -0.740 2.091) 2.218 4.979 ( 0.000 -0.852 11.095) 11.128 5.169 ( 0.000 -6.745 7.935) 10.414 5.258 ( 0.000 -4.239 -11.879) 12.613 5.592 ( 0.000 -3.353 4.536) 5.641 5.767 ( 0.000 -4.034 5.485) 6.809 5.780 ( 0.000 -3.009 -2.692) 4.038 5.934 ( 0.000 -0.189 -4.437) 4.441 6.295 ( 0.000 0.909 0.199) 0.931 6.348 ( 0.000 -2.505 -0.911) 2.666 6.926 ( 0.000 -4.361 2.222) 4.894 7.025 ( 0.000 -9.608 -1.374) 9.706 8.302 ( 0.000 -3.817 3.816) 5.398 8.436 ( 0.000 1.770 -5.372) 5.656 8.518 ( 0.000 -3.863 -1.927) 4.318 8.681 ( 0.000 -4.416 -5.393) 6.971 8.804 ( 0.000 1.348 -0.486) 1.433 8.805 ( 0.000 -2.039 0.068) 2.040 9.112 ( 0.000 20.820 2.453) 20.964 9.222 ( 0.000 14.211 -2.586) 14.444 9.764 ( 0.000 20.718 3.039) 20.940 9.883 ( 0.000 19.172 -1.909) 19.267 9.990 ( 0.000 3.979 10.525) 11.252 10.268 ( 0.000 11.387 2.311) 11.619 10.346 ( 0.000 4.446 0.047) 4.446 10.399 ( 0.000 4.293 -2.458) 4.947 10.591 ( 0.000 3.635 -0.406) 3.657 10.740 ( 0.000 -1.002 -5.480) 5.571 10.862 ( 0.000 1.003 5.035) 5.134 11.058 ( 0.000 -7.556 -2.465) 7.948 11.126 ( 0.000 10.759 4.481) 11.655 11.374 ( 0.000 -1.361 1.122) 1.763 11.496 ( 0.000 2.098 -2.408) 3.194 11.524 ( 0.000 5.718 -9.795) 11.342 12.131 ( 0.000 9.651 -0.465) 9.662 12.162 ( 0.000 5.386 -5.532) 7.721 12.453 ( 0.000 -6.665 -2.413) 7.088 12.465 ( 0.000 -7.499 0.133) 7.501 12.777 ( 0.000 -2.548 6.500) 6.981 12.822 ( 0.000 -1.008 4.013) 4.138 12.968 ( 0.000 1.833 2.708) 3.270 13.277 ( 0.000 -0.446 -10.533) 10.543 13.507 ( 0.000 5.087 2.364) 5.610 13.601 ( 0.000 4.356 1.177) 4.513 14.096 ( 0.000 -11.029 4.086) 11.761 14.290 ( 0.000 -2.461 -2.730) 3.676 14.365 ( 0.000 -9.533 0.066) 9.533 14.446 ( 0.000 -12.749 -3.248) 13.156 16.337 ( 0.000 -1.494 0.121) 1.499 16.408 ( 0.000 -1.536 -3.965) 4.253 16.599 ( 0.000 -5.661 0.213) 5.665 16.692 ( 0.000 -1.162 -4.149) 4.308 17.697 ( 0.000 -12.378 3.372) 12.829 17.822 ( 0.000 -16.946 1.142) 16.984 17.997 ( 0.000 -17.434 5.562) 18.300 18.097 ( 0.000 -18.537 0.844) 18.556 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 10.867 18.917 11.010) 24.436 1.448 ( 8.719 20.001 13.152) 25.476 1.956 ( 3.503 9.348 -12.344) 15.876 2.175 ( 3.604 10.929 -8.985) 14.600 2.329 ( -6.062 13.009 -4.126) 14.934 2.482 ( -11.735 12.267 2.483) 17.157 2.553 ( 0.498 13.736 -1.097) 13.789 2.594 ( 3.038 13.704 6.579) 15.502 2.640 ( 12.026 24.162 14.317) 30.552 2.794 ( -2.795 12.487 -5.005) 13.739 2.902 ( 1.154 16.171 -2.008) 16.336 2.961 ( -0.490 18.049 1.507) 18.119 3.000 ( 3.670 9.925 0.255) 10.585 3.130 ( 3.165 14.347 0.778) 14.712 3.189 ( 3.689 20.180 2.223) 20.634 3.304 ( -1.163 21.140 -2.827) 21.360 3.338 ( 1.418 16.462 -2.601) 16.726 3.435 ( 3.130 17.335 2.262) 17.760 3.509 ( -0.187 16.165 -1.819) 16.268 3.566 ( 2.173 17.521 -2.448) 17.824 3.640 ( 0.312 16.897 7.586) 18.524 3.836 ( -3.101 19.402 -3.893) 20.030 3.895 ( -2.504 25.838 -1.840) 26.024 4.042 ( 4.272 12.171 -11.869) 17.528 4.151 ( -10.369 6.885 15.161) 19.616 4.246 ( -11.891 1.693 -6.860) 13.832 4.508 ( -3.364 0.155 -13.363) 13.781 4.768 ( -11.123 -0.256 -10.590) 15.360 4.974 ( 0.083 0.134 11.376) 11.377 5.053 ( 9.284 -1.097 9.879) 13.601 5.157 ( 3.536 -4.636 2.120) 6.204 5.368 ( 4.078 -4.971 -3.101) 7.138 5.556 ( -3.029 -4.976 3.347) 6.719 5.618 ( -8.282 -2.715 1.669) 8.874 5.860 ( 3.613 -5.282 1.220) 6.515 5.963 ( 1.854 -1.775 -3.056) 3.991 6.306 ( 3.767 1.446 2.030) 4.517 6.479 ( 8.918 -2.098 -4.233) 10.092 6.824 ( -7.066 -5.179 5.050) 10.112 7.039 ( -1.143 -8.115 -3.416) 8.879 8.338 ( 2.261 -3.736 1.922) 4.771 8.464 ( -0.250 -2.219 -4.556) 5.074 8.489 ( 0.759 -2.021 -0.633) 2.250 8.621 ( -1.746 -4.339 -2.524) 5.314 8.883 ( 5.711 1.042 -0.802) 5.860 8.891 ( 4.592 4.958 -2.195) 7.105 9.109 ( -0.365 18.666 2.169) 18.795 9.194 ( -2.571 14.322 -1.692) 14.649 9.795 ( 2.536 20.203 3.609) 20.679 9.887 ( 1.490 18.182 -0.242) 18.244 10.090 ( 6.859 2.299 6.173) 9.510 10.243 ( -3.371 5.557 0.325) 6.508 10.298 ( 2.798 11.375 3.699) 12.284 10.488 ( 3.912 9.051 -1.920) 10.045 10.598 ( 0.606 1.704 -0.070) 1.810 10.726 ( -2.108 -2.255 -3.367) 4.568 10.866 ( -1.095 3.020 1.121) 3.402 10.909 ( -2.676 -0.289 0.052) 2.692 11.310 ( 3.481 2.573 2.702) 5.102 11.416 ( 1.108 1.709 -0.610) 2.126 11.471 ( 6.387 -1.792 -0.499) 6.652 11.603 ( 7.517 3.480 -7.617) 11.254 12.031 ( -7.060 6.625 0.668) 9.705 12.127 ( -5.556 2.401 -5.540) 8.205 12.419 ( -3.752 -6.573 1.752) 7.769 12.463 ( -0.728 -6.288 -2.993) 7.002 12.703 ( -9.664 0.288 2.487) 9.983 12.796 ( 0.074 -1.028 5.261) 5.361 12.908 ( -5.335 1.502 3.638) 6.630 13.125 ( -14.541 2.265 -6.962) 16.280 13.517 ( 2.924 5.947 1.195) 6.734 13.568 ( -0.725 7.001 -0.156) 7.040 14.097 ( -0.168 -9.957 2.874) 10.365 14.212 ( -4.920 -5.746 -1.124) 7.648 14.430 ( 3.448 -8.370 -0.543) 9.069 14.476 ( 2.074 -12.335 -2.443) 12.745 16.363 ( 2.757 -1.132 0.121) 2.982 16.439 ( 2.466 -2.388 -3.411) 4.839 16.620 ( 2.236 -4.923 0.622) 5.442 16.728 ( 2.012 -3.079 -2.958) 4.720 17.692 ( -0.303 -12.778 2.760) 13.076 17.799 ( -2.223 -16.271 1.299) 16.473 17.988 ( -0.499 -15.918 3.301) 16.264 18.064 ( -2.794 -17.636 0.603) 17.866 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 15.964 13.568 8.480) 22.602 1.677 ( 16.040 14.202 11.169) 24.161 1.914 ( -9.423 10.278 5.167) 14.871 2.083 ( -18.072 11.596 3.898) 21.823 2.257 ( 6.234 9.506 -10.401) 15.408 2.419 ( -0.113 12.627 -13.883) 18.767 2.455 ( -0.578 9.840 -10.339) 14.284 2.629 ( -9.234 15.713 -11.528) 21.565 2.769 ( 10.448 18.890 9.491) 23.581 2.915 ( -1.692 20.049 3.691) 20.456 2.940 ( 6.013 15.549 8.174) 18.567 2.993 ( 8.586 19.472 5.615) 22.009 3.036 ( -2.125 6.606 7.401) 10.146 3.138 ( -1.575 17.224 -0.788) 17.314 3.232 ( 0.615 21.213 5.044) 21.813 3.284 ( -0.505 20.598 3.522) 20.903 3.390 ( 3.890 12.798 0.199) 13.378 3.489 ( -2.230 12.684 1.859) 13.012 3.527 ( -0.539 14.846 -0.821) 14.879 3.557 ( 1.833 22.786 -1.609) 22.916 3.694 ( 3.814 17.835 3.491) 18.569 3.778 ( -3.674 19.567 -2.827) 20.108 3.859 ( -0.436 25.768 -1.200) 25.800 3.961 ( -10.477 9.083 -4.821) 14.680 4.031 ( 5.380 5.059 0.127) 7.386 4.226 ( 3.718 8.196 -11.895) 14.917 4.317 ( -8.130 0.021 -9.709) 12.663 4.511 ( -13.478 4.200 -14.371) 20.145 5.050 ( 6.608 0.676 8.142) 10.508 5.163 ( -1.355 -1.382 7.290) 7.543 5.265 ( 5.929 -4.386 0.804) 7.419 5.355 ( -3.087 -4.277 -0.024) 5.274 5.502 ( -1.968 -5.994 4.394) 7.689 5.512 ( -2.012 -4.700 5.202) 7.294 5.933 ( 3.321 -6.028 -0.706) 6.918 5.977 ( -0.733 -4.335 -1.970) 4.818 6.432 ( 7.732 1.042 2.916) 8.329 6.575 ( -3.996 0.127 -0.192) 4.003 6.774 ( 6.420 -6.495 0.575) 9.150 6.947 ( -7.716 -6.942 -4.132) 11.171 8.371 ( 1.495 -5.162 -0.874) 5.445 8.412 ( -2.624 -6.078 -2.323) 7.016 8.564 ( 4.145 0.258 -0.961) 4.263 8.617 ( -0.584 -1.772 -1.332) 2.293 8.953 ( 2.000 9.535 -1.025) 9.797 8.966 ( 1.568 6.198 -0.941) 6.462 9.104 ( 0.276 15.201 1.076) 15.242 9.134 ( -2.709 13.463 -0.207) 13.735 9.871 ( 4.469 16.496 3.602) 17.466 9.920 ( 0.483 16.473 1.803) 16.578 10.139 ( -0.172 11.788 3.092) 12.188 10.175 ( -3.409 12.161 1.910) 12.773 10.463 ( 8.513 2.051 -0.228) 8.759 10.548 ( 0.600 2.647 -0.451) 2.752 10.610 ( 1.961 2.454 1.092) 3.326 10.665 ( -1.917 0.197 -4.184) 4.606 10.881 ( 1.625 3.440 0.243) 3.812 10.901 ( -0.054 3.420 0.311) 3.434 11.335 ( 1.492 -1.421 0.312) 2.084 11.368 ( -1.777 -0.369 0.480) 1.877 11.692 ( 7.146 1.004 2.400) 7.605 11.788 ( 5.183 0.762 -0.512) 5.264 11.928 ( -2.071 0.029 -1.963) 2.854 11.959 ( -4.317 -3.302 -1.532) 5.647 12.307 ( -2.992 -1.042 3.997) 5.101 12.455 ( -6.503 -2.104 -2.676) 7.341 12.501 ( -3.641 1.364 -4.056) 5.619 12.625 ( -12.798 0.571 -4.493) 13.576 12.870 ( 2.178 1.187 5.719) 6.234 12.930 ( -4.126 2.639 3.071) 5.781 13.583 ( 2.246 7.931 -1.194) 8.329 13.588 ( 1.494 8.394 -1.333) 8.630 14.093 ( 0.231 -8.968 1.417) 9.082 14.125 ( -3.165 -7.802 0.371) 8.428 14.482 ( 1.749 -10.019 -0.809) 10.203 14.500 ( 0.075 -11.388 -1.412) 11.475 16.436 ( 3.674 -1.761 0.258) 4.083 16.475 ( 0.261 -2.654 -1.096) 2.883 16.678 ( 3.145 -4.593 0.135) 5.569 16.732 ( -1.677 -4.212 -1.035) 4.650 17.698 ( 1.221 -13.663 1.029) 13.756 17.743 ( -2.935 -14.783 0.581) 15.083 17.987 ( 0.477 -15.036 1.022) 15.078 18.011 ( -1.995 -15.890 0.486) 16.022 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.000 20.625 6.485) 21.621 1.777 ( 0.000 19.852 5.162) 20.512 2.150 ( 0.000 12.944 -5.764) 14.170 2.352 ( 0.000 12.249 -10.233) 15.961 2.566 ( 0.000 2.337 8.939) 9.240 2.620 ( 0.000 6.044 -0.327) 6.053 2.649 ( 0.000 4.702 -1.829) 5.045 2.750 ( 0.000 5.359 -5.626) 7.769 2.994 ( 0.000 2.182 -14.566) 14.729 2.994 ( 0.000 7.046 -8.023) 10.678 3.232 ( 0.000 11.218 8.035) 13.799 3.372 ( 0.000 25.845 9.758) 27.626 3.400 ( 0.000 19.666 9.958) 22.044 3.440 ( 0.000 19.677 -0.133) 19.678 3.565 ( 0.000 24.413 4.602) 24.843 3.616 ( 0.000 22.171 0.348) 22.174 3.726 ( 0.000 14.607 8.939) 17.125 3.783 ( 0.000 10.096 2.032) 10.298 3.905 ( 0.000 21.045 -0.410) 21.049 3.968 ( 0.000 26.138 -2.777) 26.285 3.998 ( 0.000 17.618 6.175) 18.668 4.217 ( 0.000 17.431 5.092) 18.159 4.329 ( 0.000 24.287 -16.438) 29.327 4.432 ( 0.000 11.955 -8.424) 14.625 4.464 ( 0.000 3.355 -7.475) 8.193 4.565 ( 0.000 20.476 -4.623) 20.991 4.611 ( 0.000 20.999 1.193) 21.033 4.905 ( 0.000 3.132 -1.632) 3.532 4.961 ( 0.000 3.939 3.228) 5.093 4.990 ( 0.000 2.032 7.607) 7.874 5.032 ( 0.000 -6.005 6.295) 8.700 5.180 ( 0.000 -3.169 -10.032) 10.520 5.542 ( 0.000 -0.686 3.833) 3.894 5.691 ( 0.000 -2.729 7.581) 8.057 5.715 ( 0.000 -2.859 -2.758) 3.973 5.921 ( 0.000 -1.026 -3.554) 3.699 6.328 ( 0.000 2.268 0.263) 2.284 6.330 ( 0.000 0.764 0.506) 0.917 6.851 ( 0.000 -7.119 -0.059) 7.119 6.870 ( 0.000 -1.104 -1.021) 1.504 8.225 ( 0.000 -3.594 2.166) 4.197 8.389 ( 0.000 -7.815 3.962) 8.762 8.407 ( 0.000 -3.464 -6.440) 7.312 8.597 ( 0.000 -4.594 -1.869) 4.959 8.806 ( 0.000 2.309 -0.165) 2.315 8.851 ( 0.000 3.315 -1.659) 3.707 9.437 ( 0.000 10.655 0.192) 10.657 9.454 ( 0.000 8.293 -0.444) 8.304 10.037 ( 0.000 6.891 5.073) 8.557 10.107 ( 0.000 3.299 0.129) 3.301 10.150 ( 0.000 5.815 7.478) 9.473 10.330 ( 0.000 -1.390 1.287) 1.895 10.481 ( 0.000 6.636 -2.830) 7.214 10.569 ( 0.000 13.113 -4.677) 13.922 10.678 ( 0.000 3.967 1.726) 4.326 10.715 ( 0.000 -0.879 -0.765) 1.166 10.884 ( 0.000 -7.485 -4.667) 8.821 10.884 ( 0.000 3.971 -1.783) 4.353 11.447 ( 0.000 19.371 3.374) 19.662 11.468 ( 0.000 10.439 1.884) 10.608 11.638 ( 0.000 11.039 -2.622) 11.346 11.687 ( 0.000 9.480 -0.759) 9.510 12.204 ( 0.000 -0.943 -1.323) 1.625 12.253 ( 0.000 2.325 -0.090) 2.327 12.388 ( 0.000 0.033 0.926) 0.927 12.453 ( 0.000 5.261 -5.651) 7.721 12.786 ( 0.000 -2.945 2.341) 3.762 12.792 ( 0.000 5.491 9.729) 11.172 12.987 ( 0.000 0.091 3.689) 3.690 13.213 ( 0.000 -7.276 -12.310) 14.299 13.589 ( 0.000 2.595 0.611) 2.666 13.614 ( 0.000 -4.235 2.096) 4.725 13.865 ( 0.000 -10.677 8.176) 13.448 14.169 ( 0.000 -8.972 -3.147) 9.508 14.174 ( 0.000 -8.798 -4.421) 9.846 14.191 ( 0.000 -11.825 -3.453) 12.319 16.257 ( 0.000 -5.955 -0.425) 5.970 16.352 ( 0.000 -3.399 -4.717) 5.814 16.498 ( 0.000 -4.250 3.674) 5.618 16.653 ( 0.000 -2.347 -2.153) 3.185 17.422 ( 0.000 -14.549 2.130) 14.704 17.469 ( 0.000 -17.808 1.953) 17.915 17.630 ( 0.000 -19.162 1.907) 19.257 17.701 ( 0.000 -20.301 -0.173) 20.302 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 5.720 18.835 6.585) 20.757 1.840 ( 5.521 18.580 6.257) 20.368 2.162 ( 1.323 11.048 -6.811) 13.046 2.399 ( 2.911 11.396 -7.334) 13.861 2.537 ( -7.031 8.427 -5.949) 12.484 2.610 ( -2.682 2.920 1.140) 4.125 2.643 ( 2.390 3.189 4.002) 5.647 2.731 ( 1.473 8.771 -1.505) 9.021 2.956 ( -0.830 4.848 -7.185) 8.707 3.067 ( 2.326 5.175 -6.211) 8.413 3.253 ( 3.873 6.895 3.021) 8.466 3.375 ( -1.494 19.671 5.560) 20.496 3.392 ( -1.978 12.345 5.487) 13.653 3.453 ( 3.188 28.953 3.659) 29.357 3.558 ( 0.195 21.010 4.247) 21.436 3.658 ( 3.200 20.033 1.304) 20.329 3.746 ( 1.453 16.434 7.042) 17.938 3.754 ( -1.668 17.364 0.409) 17.449 3.841 ( -2.256 13.381 5.293) 14.565 3.942 ( -2.361 23.696 -1.873) 23.887 4.100 ( 5.623 24.528 2.221) 25.262 4.208 ( -0.558 17.682 1.218) 17.733 4.263 ( -11.251 6.151 -1.319) 12.890 4.363 ( -1.442 19.266 -11.840) 22.659 4.421 ( 0.990 15.881 -11.079) 19.389 4.524 ( -5.395 24.745 1.035) 25.347 4.603 ( -3.472 15.102 -5.344) 16.391 4.838 ( -5.112 9.082 -6.652) 12.364 4.992 ( 3.026 2.012 5.189) 6.335 5.057 ( 4.417 -4.000 2.255) 6.371 5.072 ( 6.953 3.341 7.548) 10.793 5.277 ( 4.639 -3.876 -3.761) 7.120 5.470 ( -5.647 -2.448 2.989) 6.842 5.582 ( -7.406 0.028 0.903) 7.461 5.750 ( 1.788 -5.199 3.123) 6.323 5.919 ( -0.659 -2.428 -2.811) 3.773 6.355 ( 4.344 3.293 1.656) 5.697 6.449 ( 8.544 -1.009 -1.667) 8.763 6.749 ( -6.384 -2.407 2.377) 7.224 6.900 ( -0.864 -5.145 -3.255) 6.149 8.255 ( 1.800 -4.111 2.030) 4.926 8.349 ( -3.091 -6.708 2.157) 7.695 8.437 ( 2.763 -3.916 -3.705) 6.058 8.551 ( -1.296 -3.209 -1.781) 3.892 8.893 ( 6.847 0.765 0.505) 6.908 8.970 ( 8.328 3.601 -2.707) 9.468 9.399 ( -3.797 8.451 -0.357) 9.272 9.418 ( -3.278 8.281 -0.457) 8.918 10.082 ( -0.884 3.237 3.977) 5.204 10.122 ( 6.683 7.909 2.006) 10.547 10.177 ( 3.735 5.214 3.816) 7.463 10.358 ( 3.753 5.070 2.972) 6.973 10.535 ( 0.977 11.681 0.107) 11.722 10.632 ( 5.156 -0.553 -4.133) 6.631 10.655 ( -1.243 3.786 -0.509) 4.018 10.692 ( -1.221 3.511 2.852) 4.685 10.886 ( 1.668 0.115 -5.069) 5.338 10.911 ( 2.234 4.050 -3.675) 5.907 11.423 ( -4.361 7.684 1.248) 8.923 11.517 ( -7.337 5.720 -0.708) 9.330 11.587 ( 10.609 14.729 2.546) 18.330 11.738 ( 3.906 9.593 -1.407) 10.452 12.097 ( -9.910 -0.750 -0.430) 9.948 12.142 ( -10.255 0.047 -0.280) 10.259 12.356 ( -3.163 0.017 1.302) 3.421 12.454 ( 0.880 4.533 -6.304) 7.814 12.716 ( -4.537 0.952 2.270) 5.162 12.843 ( 1.147 6.251 7.631) 9.931 12.943 ( -3.401 2.041 2.844) 4.880 13.152 ( -8.789 -0.069 -8.165) 11.996 13.557 ( 2.585 -3.366 3.590) 5.559 13.638 ( 2.268 -1.821 -0.545) 2.959 13.875 ( -0.192 -9.848 4.536) 10.844 14.062 ( -6.255 -7.819 -2.919) 10.430 14.210 ( 1.425 -12.763 -3.156) 13.224 14.234 ( 1.643 -11.314 -2.943) 11.806 16.290 ( 3.124 -5.637 -0.699) 6.483 16.375 ( 1.845 -3.737 -4.444) 6.092 16.523 ( 2.384 -4.370 3.768) 6.243 16.664 ( 0.476 -3.100 -0.968) 3.282 17.407 ( -1.077 -15.124 1.829) 15.272 17.458 ( -1.217 -17.312 1.383) 17.410 17.639 ( 0.764 -18.428 1.127) 18.478 17.684 ( -1.307 -19.571 -0.081) 19.615 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 13.125 13.196 5.876) 19.517 1.976 ( 7.380 14.926 6.404) 17.840 2.140 ( -4.459 11.672 0.547) 12.506 2.281 ( -16.253 8.436 2.361) 18.464 2.460 ( 5.303 10.802 -7.238) 14.043 2.592 ( -5.531 7.987 -9.122) 13.326 2.662 ( 7.375 8.341 -10.678) 15.427 2.832 ( -4.017 6.262 -8.685) 11.436 2.922 ( 6.476 5.112 8.696) 11.987 3.081 ( -4.054 2.413 6.537) 8.062 3.292 ( 1.161 9.879 3.132) 10.428 3.338 ( -2.834 12.866 5.182) 14.156 3.441 ( 6.571 15.589 -1.211) 16.961 3.488 ( 1.185 18.076 1.077) 18.147 3.591 ( 1.830 17.088 0.257) 17.187 3.695 ( -2.166 12.890 -0.278) 13.073 3.730 ( -0.037 19.813 7.103) 21.047 3.778 ( 1.326 21.070 4.497) 21.585 3.842 ( 0.886 18.142 -2.478) 18.332 3.896 ( -2.472 15.125 -3.008) 15.618 4.074 ( -0.098 12.097 1.027) 12.141 4.185 ( 1.976 27.199 5.517) 27.823 4.216 ( -6.493 8.389 -3.222) 11.087 4.269 ( 1.193 18.361 1.045) 18.430 4.416 ( -3.878 26.477 -1.459) 26.799 4.453 ( -6.192 21.110 -4.271) 22.410 4.556 ( 6.689 21.683 -11.020) 25.226 4.711 ( -7.403 16.163 -9.544) 20.178 5.095 ( 6.117 4.331 3.273) 8.178 5.167 ( 4.860 -3.237 3.023) 6.576 5.186 ( 2.048 2.676 1.436) 3.663 5.278 ( -3.343 -2.932 -0.100) 4.448 5.388 ( -1.179 -4.158 4.384) 6.156 5.445 ( -5.309 -0.717 3.309) 6.297 5.808 ( 3.865 -6.113 0.241) 7.237 5.882 ( -2.967 -4.820 -1.841) 5.952 6.472 ( 6.635 2.696 2.711) 7.657 6.602 ( -3.993 2.450 1.694) 4.981 6.653 ( 6.973 -5.412 -1.585) 8.968 6.820 ( -6.782 -5.243 -4.098) 9.501 8.271 ( 0.377 -4.597 1.351) 4.806 8.294 ( -2.027 -5.412 1.061) 5.876 8.512 ( 3.951 -4.347 -1.005) 5.960 8.556 ( 0.008 -3.664 -1.322) 3.895 9.025 ( 5.627 0.950 -0.013) 5.707 9.087 ( 1.295 4.613 -2.767) 5.533 9.318 ( -1.943 5.132 -0.287) 5.495 9.347 ( -3.299 8.108 -1.415) 8.867 10.117 ( 3.958 6.494 5.085) 9.148 10.190 ( -1.502 8.624 2.738) 9.172 10.311 ( 8.655 5.850 1.220) 10.518 10.423 ( 0.627 10.959 2.043) 11.166 10.557 ( -3.727 -1.536 -0.046) 4.032 10.577 ( -2.279 6.290 1.546) 6.866 10.679 ( 6.940 4.633 2.294) 8.654 10.764 ( 0.698 8.835 -2.502) 9.209 10.955 ( 3.580 4.264 -3.455) 6.553 10.959 ( 2.300 4.985 -4.166) 6.891 11.341 ( -1.896 1.076 -0.720) 2.295 11.378 ( -5.129 0.575 -0.765) 5.218 11.792 ( 5.320 8.133 1.546) 9.840 11.832 ( 3.594 1.126 2.100) 4.312 11.897 ( -10.845 -0.703 0.135) 10.868 11.905 ( -4.527 0.096 -0.531) 4.559 12.339 ( 4.516 4.168 2.176) 6.519 12.484 ( -0.746 5.185 -4.623) 6.987 12.593 ( -4.923 6.142 -3.199) 8.497 12.702 ( -12.329 6.417 -4.546) 14.624 12.938 ( 2.617 5.992 7.626) 10.045 13.000 ( -4.032 4.603 5.120) 7.979 13.669 ( 5.986 -2.014 0.169) 6.318 13.712 ( 3.228 2.924 -2.134) 4.850 13.852 ( -0.631 -14.083 2.276) 14.280 13.928 ( -6.592 -9.872 -0.917) 11.906 14.233 ( 0.792 -13.702 -2.578) 13.965 14.244 ( -0.263 -13.163 -2.539) 13.409 16.363 ( 3.364 -5.378 -1.293) 6.474 16.400 ( -0.020 -4.781 -2.816) 5.549 16.586 ( 3.554 -4.161 2.934) 6.209 16.649 ( -2.192 -3.793 1.209) 4.545 17.396 ( 0.353 -15.897 0.573) 15.911 17.423 ( -1.952 -16.607 0.322) 16.725 17.653 ( 0.512 -17.683 0.416) 17.695 17.663 ( -0.647 -18.177 0.213) 18.190 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.000 16.349 2.589) 16.553 2.130 ( 0.000 15.470 -1.253) 15.521 2.408 ( 0.000 12.172 0.950) 12.209 2.588 ( 0.000 9.085 -6.557) 11.204 2.613 ( 0.000 2.568 7.275) 7.715 2.691 ( 0.000 5.363 -1.579) 5.590 2.767 ( 0.000 4.907 -0.258) 4.913 2.883 ( 0.000 7.535 -6.633) 10.039 3.048 ( 0.000 3.783 -10.630) 11.283 3.148 ( 0.000 8.608 -9.873) 13.099 3.318 ( 0.000 0.909 9.597) 9.640 3.449 ( 0.000 -0.874 7.806) 7.854 3.745 ( 0.000 11.651 12.371) 16.994 3.783 ( 0.000 6.156 -2.137) 6.516 3.855 ( 0.000 1.424 12.146) 12.229 3.958 ( 0.000 8.922 -5.973) 10.737 3.978 ( 0.000 10.058 4.860) 11.171 4.173 ( 0.000 21.830 1.073) 21.856 4.250 ( 0.000 13.645 2.675) 13.904 4.327 ( 0.000 12.927 -4.257) 13.610 4.444 ( 0.000 14.301 -1.776) 14.411 4.515 ( 0.000 1.518 -5.115) 5.336 4.520 ( 0.000 14.488 -6.164) 15.744 4.670 ( 0.000 20.021 7.186) 21.271 4.805 ( 0.000 21.304 -9.495) 23.324 4.927 ( 0.000 4.775 6.999) 8.472 4.968 ( 0.000 12.842 -4.253) 13.528 5.027 ( 0.000 1.184 0.402) 1.250 5.061 ( 0.000 16.930 -2.325) 17.089 5.116 ( 0.000 5.897 -5.978) 8.398 5.165 ( 0.000 14.521 2.154) 14.680 5.226 ( 0.000 20.693 -0.866) 20.711 5.597 ( 0.000 6.693 4.699) 8.177 5.717 ( 0.000 4.786 -1.896) 5.147 5.739 ( 0.000 9.858 4.578) 10.869 5.916 ( 0.000 1.720 -2.249) 2.832 6.369 ( 0.000 2.885 0.194) 2.891 6.380 ( 0.000 2.773 -0.275) 2.787 6.757 ( 0.000 -2.259 2.517) 3.382 6.877 ( 0.000 1.447 -2.091) 2.543 8.167 ( 0.000 -2.065 1.892) 2.801 8.245 ( 0.000 -5.996 6.242) 8.655 8.345 ( 0.000 -2.140 -5.656) 6.047 8.492 ( 0.000 -5.480 -1.409) 5.658 8.877 ( 0.000 4.288 0.276) 4.297 8.933 ( 0.000 4.820 -1.545) 5.062 9.550 ( 0.000 1.645 0.441) 1.703 9.560 ( 0.000 2.674 -0.006) 2.674 10.034 ( 0.000 -5.497 4.091) 6.852 10.145 ( 0.000 2.565 -1.878) 3.179 10.180 ( 0.000 2.463 7.904) 8.279 10.356 ( 0.000 -0.580 0.077) 0.585 10.496 ( 0.000 -5.248 -4.392) 6.843 10.609 ( 0.000 -8.474 0.605) 8.496 10.740 ( 0.000 2.786 -0.497) 2.830 10.743 ( 0.000 9.506 -5.436) 10.951 10.997 ( 0.000 11.279 -7.241) 13.404 11.064 ( 0.000 12.561 -3.364) 13.004 11.686 ( 0.000 8.560 2.268) 8.855 11.811 ( 0.000 13.208 -0.331) 13.212 11.864 ( 0.000 7.261 10.454) 12.728 11.874 ( 0.000 13.240 0.782) 13.263 12.152 ( 0.000 -3.232 4.019) 5.157 12.267 ( 0.000 0.225 2.630) 2.640 12.450 ( 0.000 5.261 -1.033) 5.361 12.549 ( 0.000 2.131 -4.946) 5.385 12.699 ( 0.000 -5.290 -1.480) 5.493 12.948 ( 0.000 -14.849 -8.701) 17.210 12.982 ( 0.000 -0.229 6.450) 6.454 13.013 ( 0.000 11.227 2.963) 11.611 13.464 ( 0.000 -9.390 4.820) 10.555 13.595 ( 0.000 -1.747 -1.635) 2.393 13.687 ( 0.000 -6.098 6.120) 8.639 13.920 ( 0.000 -15.286 -3.130) 15.604 14.029 ( 0.000 -5.782 -5.573) 8.031 14.050 ( 0.000 -2.831 -5.642) 6.312 16.132 ( 0.000 -5.798 -0.294) 5.805 16.288 ( 0.000 -2.767 -7.281) 7.790 16.431 ( 0.000 -2.430 5.990) 6.464 16.611 ( 0.000 -1.676 0.541) 1.761 17.128 ( 0.000 -16.022 3.111) 16.321 17.139 ( 0.000 -13.382 1.847) 13.509 17.251 ( 0.000 -18.008 -0.178) 18.009 17.316 ( 0.000 -17.447 -1.687) 17.529 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 2.823 15.762 2.980) 16.287 2.172 ( 3.665 14.376 -0.304) 14.839 2.384 ( -1.029 10.696 -1.258) 10.819 2.581 ( -1.203 5.644 -2.276) 6.203 2.641 ( -1.761 2.172 1.321) 3.092 2.706 ( -1.142 5.952 -2.546) 6.574 2.746 ( 3.148 8.720 0.155) 9.272 2.914 ( 3.657 8.888 -3.255) 10.148 3.046 ( 0.098 5.229 -7.292) 8.973 3.171 ( -0.287 5.796 -7.944) 9.838 3.306 ( 0.868 0.638 6.216) 6.309 3.455 ( -0.258 -0.075 6.140) 6.146 3.655 ( -3.169 5.739 9.084) 11.203 3.737 ( -5.679 6.619 -1.362) 8.828 3.868 ( 1.979 4.498 7.312) 8.810 3.936 ( -3.758 6.459 -3.411) 8.214 4.046 ( 1.694 11.339 2.374) 11.708 4.132 ( -0.441 15.850 6.552) 17.156 4.209 ( -1.564 19.036 1.829) 19.188 4.371 ( -1.929 14.192 -2.142) 14.482 4.400 ( -6.938 4.569 -2.819) 8.773 4.476 ( 4.305 12.033 -5.821) 14.043 4.514 ( 0.322 18.457 -2.425) 18.618 4.715 ( 1.356 25.110 5.170) 25.673 4.795 ( -0.633 12.690 -5.155) 13.712 4.923 ( -1.881 13.780 -3.240) 14.280 4.943 ( 3.513 9.504 1.582) 10.255 5.048 ( 0.047 5.910 -0.448) 5.927 5.096 ( 0.276 14.947 -1.181) 14.997 5.152 ( 2.549 13.484 0.063) 13.723 5.193 ( 5.403 3.623 -3.298) 7.293 5.313 ( 5.549 16.316 -0.792) 17.252 5.525 ( -5.685 9.056 2.482) 10.977 5.669 ( -5.016 8.775 -2.892) 10.513 5.720 ( -0.446 6.365 6.085) 8.817 5.894 ( -2.328 1.481 -1.454) 3.119 6.429 ( 4.435 3.833 0.059) 5.862 6.437 ( 5.823 -0.029 -0.346) 5.834 6.723 ( -3.009 -0.289 2.809) 4.126 6.851 ( -2.844 0.066 -2.139) 3.559 8.183 ( 0.958 -2.850 2.199) 3.725 8.228 ( -1.287 -4.903 4.442) 6.739 8.370 ( 2.222 -2.394 -3.481) 4.774 8.476 ( -0.261 -3.955 -2.078) 4.476 8.926 ( 4.463 2.762 1.634) 5.496 9.045 ( 8.885 3.913 -2.770) 10.096 9.476 ( -6.630 1.258 0.723) 6.787 9.540 ( -2.168 3.939 -1.788) 4.839 10.054 ( 2.830 -3.135 4.930) 6.491 10.204 ( 5.990 1.199 -1.362) 6.259 10.253 ( 4.527 2.601 6.520) 8.353 10.387 ( 4.963 -1.868 1.226) 5.443 10.514 ( 0.049 -6.262 -3.405) 7.128 10.661 ( 3.607 -5.011 1.294) 6.309 10.724 ( -0.446 5.582 -1.040) 5.695 10.809 ( 6.940 9.208 -3.718) 12.115 11.010 ( 1.129 8.706 -7.717) 11.689 11.085 ( 1.803 11.882 -4.226) 12.739 11.556 ( -11.679 3.295 1.996) 12.298 11.635 ( -12.433 5.225 1.214) 13.541 11.898 ( 3.931 12.129 3.502) 13.223 11.926 ( -0.937 8.169 6.256) 10.332 12.066 ( -6.083 1.123 -0.307) 6.193 12.134 ( -11.923 -0.659 2.118) 12.127 12.404 ( -1.958 3.833 1.194) 4.467 12.579 ( 3.148 6.976 -5.886) 9.655 12.718 ( 0.859 -1.851 0.643) 2.140 12.948 ( -0.741 -3.309 -5.571) 6.521 13.041 ( 2.931 6.745 5.979) 9.478 13.109 ( 6.518 1.305 0.217) 6.651 13.437 ( -7.559 -6.619 5.428) 11.420 13.472 ( 1.114 -9.387 2.272) 9.722 13.726 ( -0.456 -7.425 1.677) 7.626 13.869 ( -4.697 -13.802 -2.784) 14.842 14.027 ( -0.131 -6.021 -5.462) 8.130 14.049 ( -0.263 -4.167 -5.349) 6.785 16.170 ( 3.444 -5.593 -0.866) 6.625 16.297 ( 0.598 -3.712 -6.064) 7.135 16.454 ( 2.282 -2.535 5.184) 6.206 16.610 ( -0.391 -2.332 1.122) 2.618 17.108 ( -1.457 -14.504 2.297) 14.757 17.130 ( -0.925 -14.870 2.125) 15.050 17.277 ( 1.944 -17.122 -0.501) 17.239 17.312 ( -0.197 -16.937 -1.405) 16.996 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 7.461 11.923 3.583) 14.514 2.250 ( 2.948 12.180 1.628) 12.637 2.360 ( -1.925 10.011 -1.927) 10.375 2.428 ( -10.015 6.544 0.473) 11.973 2.660 ( 4.145 7.655 -1.143) 8.780 2.739 ( 0.274 6.745 -2.791) 7.305 2.799 ( 3.815 5.566 -7.458) 10.058 2.948 ( -5.792 5.650 -8.053) 11.416 3.045 ( 4.159 7.871 4.510) 9.980 3.141 ( -2.492 4.608 3.347) 6.217 3.368 ( 4.458 0.694 2.199) 5.019 3.444 ( -1.588 1.160 0.102) 1.969 3.625 ( 1.689 4.177 2.297) 5.057 3.725 ( 4.881 5.529 1.454) 7.517 3.783 ( -9.707 1.952 -0.548) 9.916 3.851 ( -5.093 4.779 1.953) 7.252 4.043 ( 3.399 10.003 3.267) 11.058 4.157 ( -5.484 10.400 -2.785) 12.083 4.215 ( 5.048 16.948 4.335) 18.207 4.305 ( -3.261 17.086 1.970) 17.506 4.323 ( 0.807 16.335 1.923) 16.467 4.412 ( -5.505 19.549 -0.803) 20.325 4.645 ( 6.416 11.842 -5.310) 14.478 4.725 ( -0.859 19.120 -1.199) 19.177 4.820 ( 3.455 18.478 -2.449) 18.957 4.911 ( -2.241 14.915 0.514) 15.091 4.956 ( 0.771 15.319 1.908) 15.457 5.025 ( -4.091 14.607 1.268) 15.222 5.139 ( 5.489 4.870 -0.351) 7.346 5.212 ( 0.370 2.799 2.513) 3.780 5.278 ( 3.978 10.002 -6.722) 12.690 5.370 ( -2.869 10.960 -4.140) 12.062 5.461 ( 2.417 14.892 1.964) 15.214 5.552 ( -5.571 12.670 -1.466) 13.918 5.744 ( 2.954 3.222 3.692) 5.722 5.824 ( -4.259 1.327 0.333) 4.473 6.525 ( 4.757 2.154 0.577) 5.253 6.567 ( 4.378 -2.508 -1.440) 5.247 6.663 ( -0.825 2.972 2.647) 4.064 6.758 ( -6.124 -0.619 -1.383) 6.308 8.191 ( 0.217 -3.242 2.311) 3.988 8.204 ( -1.040 -3.496 2.603) 4.481 8.432 ( 3.510 -3.173 -1.248) 4.893 8.479 ( -0.646 -3.640 -1.938) 4.174 9.043 ( 6.931 1.773 1.543) 7.319 9.164 ( -1.426 3.574 -2.905) 4.822 9.373 ( 0.786 1.632 0.285) 1.833 9.466 ( -5.112 4.448 -3.129) 7.463 10.152 ( 6.076 -1.429 5.647) 8.417 10.261 ( -3.520 -0.849 5.069) 6.229 10.375 ( 9.431 0.903 -2.536) 9.807 10.498 ( 1.053 -3.360 -2.334) 4.225 10.546 ( 3.436 1.638 2.831) 4.744 10.652 ( -3.773 0.508 1.725) 4.180 10.803 ( 9.302 6.622 1.637) 11.535 10.948 ( 0.488 9.121 1.133) 9.204 11.059 ( 4.719 4.499 -9.439) 11.472 11.108 ( 0.030 7.919 -5.341) 9.552 11.349 ( -5.268 0.134 -1.217) 5.409 11.392 ( -9.556 0.867 -1.438) 9.702 11.755 ( -6.322 -3.419 6.603) 9.760 11.844 ( -12.887 -2.350 1.579) 13.194 12.014 ( 3.488 10.381 0.719) 10.975 12.045 ( 0.260 8.213 -0.377) 8.225 12.457 ( 7.750 6.763 2.742) 10.645 12.621 ( -2.880 7.167 -3.144) 8.340 12.715 ( 1.210 5.367 -0.426) 5.518 12.830 ( -8.902 4.536 -3.666) 10.643 13.096 ( 2.691 8.313 5.185) 10.160 13.143 ( -1.748 10.884 3.664) 11.617 13.453 ( 6.981 -15.631 4.166) 17.618 13.533 ( 2.452 -14.988 2.044) 15.325 13.674 ( -2.250 -9.050 -0.745) 9.355 13.747 ( -6.685 -11.962 -2.317) 13.897 14.028 ( 0.281 -5.869 -5.171) 7.827 14.038 ( -0.656 -5.361 -5.082) 7.416 16.247 ( 3.523 -5.508 -2.094) 6.865 16.295 ( -1.124 -5.143 -3.793) 6.489 16.518 ( 3.656 -2.796 3.802) 5.970 16.583 ( -2.402 -2.972 2.479) 4.555 17.088 ( -0.194 -14.384 1.358) 14.449 17.103 ( -1.446 -14.765 1.312) 14.893 17.309 ( 0.917 -16.164 -0.638) 16.203 17.314 ( 0.229 -16.010 -0.759) 16.029 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 0.000 12.485 0.343) 12.490 2.400 ( 0.000 11.591 -3.940) 12.242 2.596 ( 0.000 5.979 2.716) 6.567 2.662 ( 0.000 1.268 -1.161) 1.719 2.688 ( 0.000 5.240 4.967) 7.220 2.812 ( 0.000 2.456 -3.530) 4.300 2.914 ( 0.000 10.651 -1.863) 10.813 3.019 ( 0.000 5.265 -8.143) 9.697 3.169 ( 0.000 8.420 -3.714) 9.202 3.275 ( 0.000 1.376 7.757) 7.878 3.376 ( 0.000 7.799 -7.266) 10.660 3.418 ( 0.000 -1.390 6.405) 6.555 3.777 ( 0.000 -2.873 9.482) 9.908 3.871 ( 0.000 2.228 12.510) 12.707 3.882 ( 0.000 -0.082 0.489) 0.496 3.996 ( 0.000 -2.667 -8.984) 9.372 4.089 ( 0.000 1.174 0.902) 1.481 4.332 ( 0.000 -2.246 -3.538) 4.191 4.371 ( 0.000 -3.286 -4.205) 5.336 4.380 ( 0.000 -1.849 4.543) 4.905 4.573 ( 0.000 4.403 -5.129) 6.760 4.629 ( 0.000 0.865 -1.096) 1.396 4.782 ( 0.000 15.256 6.123) 16.439 4.989 ( 0.000 -5.019 -1.000) 5.117 5.010 ( 0.000 5.738 -5.112) 7.684 5.030 ( 0.000 2.732 0.086) 2.733 5.208 ( 0.000 16.826 -4.577) 17.437 5.232 ( 0.000 22.668 -3.537) 22.942 5.378 ( 0.000 17.180 2.973) 17.436 5.379 ( 0.000 14.334 8.730) 16.783 5.504 ( 0.000 20.273 1.579) 20.335 5.694 ( 0.000 21.562 -5.045) 22.144 5.836 ( 0.000 15.623 3.181) 15.943 5.926 ( 0.000 14.394 -1.740) 14.499 6.032 ( 0.000 9.412 -1.842) 9.591 6.044 ( 0.000 18.042 -0.545) 18.050 6.437 ( 0.000 2.947 -0.806) 3.055 6.447 ( 0.000 5.118 -0.429) 5.136 6.746 ( 0.000 0.537 4.619) 4.650 6.907 ( 0.000 0.909 -1.560) 1.806 8.152 ( 0.000 0.533 4.683) 4.714 8.167 ( 0.000 -1.294 3.041) 3.305 8.319 ( 0.000 -1.153 -3.866) 4.034 8.406 ( 0.000 -2.208 -3.156) 3.851 8.972 ( 0.000 5.261 1.782) 5.555 9.041 ( 0.000 5.901 -0.650) 5.937 9.539 ( 0.000 -2.256 0.795) 2.392 9.570 ( 0.000 -1.407 -0.338) 1.447 9.978 ( 0.000 0.819 4.524) 4.598 10.215 ( 0.000 0.839 4.538) 4.614 10.225 ( 0.000 4.001 -5.364) 6.692 10.294 ( 0.000 -4.103 0.678) 4.159 10.382 ( 0.000 -3.742 -3.859) 5.375 10.461 ( 0.000 -5.937 0.271) 5.943 10.803 ( 0.000 3.657 -0.130) 3.659 10.945 ( 0.000 9.221 -8.562) 12.583 11.143 ( 0.000 3.222 -2.230) 3.918 11.326 ( 0.000 12.793 -4.799) 13.664 11.722 ( 0.000 -4.998 7.119) 8.698 11.927 ( 0.000 -0.092 -3.659) 3.660 11.971 ( 0.000 3.378 10.122) 10.671 12.094 ( 0.000 -2.100 9.756) 9.979 12.110 ( 0.000 6.213 4.138) 7.464 12.283 ( 0.000 -2.635 2.160) 3.407 12.414 ( 0.000 -11.117 -2.898) 11.488 12.512 ( 0.000 -2.905 -6.800) 7.395 12.659 ( 0.000 4.522 -2.051) 4.966 12.736 ( 0.000 -2.102 -6.476) 6.809 13.000 ( 0.000 2.519 6.322) 6.806 13.039 ( 0.000 -12.337 7.749) 14.569 13.460 ( 0.000 10.770 -1.544) 10.880 13.498 ( 0.000 -11.778 -4.864) 12.743 13.640 ( 0.000 0.641 0.871) 1.081 13.659 ( 0.000 -5.248 1.555) 5.474 13.903 ( 0.000 -7.010 -3.671) 7.913 14.029 ( 0.000 -0.579 -6.297) 6.324 16.048 ( 0.000 -2.260 0.210) 2.270 16.247 ( 0.000 -1.373 -8.924) 9.029 16.396 ( 0.000 -1.308 6.379) 6.512 16.586 ( 0.000 -1.144 1.957) 2.267 16.831 ( 0.000 -13.598 3.416) 14.020 16.892 ( 0.000 -11.310 1.257) 11.380 16.950 ( 0.000 -11.298 0.001) 11.298 17.035 ( 0.000 -10.151 -2.384) 10.427 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 1.471 12.320 0.443) 12.415 2.418 ( 2.030 10.431 -3.753) 11.270 2.566 ( -1.678 6.981 1.420) 7.319 2.644 ( -3.491 1.494 -0.718) 3.865 2.695 ( 0.957 3.703 4.636) 6.010 2.804 ( 0.506 3.661 -2.602) 4.520 2.917 ( -0.415 6.826 -2.987) 7.463 3.060 ( 3.040 4.456 -7.496) 9.236 3.183 ( 1.157 8.595 -0.784) 8.708 3.292 ( 2.524 2.218 4.520) 5.632 3.335 ( -3.476 6.751 -4.061) 8.611 3.458 ( 1.957 1.468 4.089) 4.765 3.688 ( -3.550 -0.242 7.928) 8.690 3.784 ( -4.826 -1.056 2.567) 5.567 3.915 ( -0.666 0.707 2.849) 3.010 3.972 ( -4.819 -0.898 -2.417) 5.465 4.129 ( 1.610 -1.385 1.906) 2.854 4.271 ( -3.963 -1.455 6.715) 7.931 4.374 ( 1.386 2.866 -3.093) 4.438 4.436 ( 6.182 -4.278 -6.096) 9.679 4.578 ( 1.655 5.619 -3.783) 6.973 4.655 ( -0.706 3.709 0.082) 3.776 4.794 ( 1.216 10.335 2.056) 10.607 4.986 ( -2.928 9.486 -1.745) 10.080 5.032 ( -0.017 2.136 -2.073) 2.977 5.051 ( 4.389 -1.899 -1.940) 5.160 5.185 ( -0.599 11.403 -0.192) 11.420 5.227 ( 0.764 17.280 -1.411) 17.354 5.354 ( -1.438 17.727 3.749) 18.176 5.411 ( 2.573 14.673 3.273) 15.252 5.499 ( -1.391 19.233 1.460) 19.338 5.696 ( -1.609 17.989 -5.428) 18.859 5.819 ( 0.429 18.324 2.356) 18.479 5.940 ( 0.461 17.580 -1.006) 17.614 5.998 ( -1.312 15.034 -1.160) 15.136 6.052 ( -0.711 15.334 -0.710) 15.367 6.457 ( 3.135 2.331 0.251) 3.914 6.506 ( 4.086 4.031 -1.564) 5.949 6.732 ( -1.291 0.897 4.412) 4.684 6.870 ( -3.471 0.983 -1.005) 3.745 8.150 ( -0.175 -0.422 4.107) 4.133 8.167 ( -0.102 -0.810 2.308) 2.448 8.340 ( 1.946 -1.042 -2.484) 3.323 8.415 ( 0.934 -1.536 -3.178) 3.651 9.007 ( 3.549 5.383 2.551) 6.934 9.130 ( 7.731 4.657 -1.809) 9.205 9.491 ( -4.859 0.585 1.332) 5.072 9.583 ( 0.368 0.309 -1.938) 1.997 10.009 ( 3.394 -0.442 5.281) 6.294 10.245 ( 2.031 3.231 -3.629) 5.266 10.265 ( 1.618 -1.484 4.771) 5.252 10.312 ( 4.242 -4.726 -0.376) 6.361 10.410 ( 3.836 -3.392 -3.255) 6.068 10.537 ( 6.021 -6.628 0.092) 8.955 10.823 ( 2.121 4.915 0.008) 5.353 10.990 ( 4.520 6.654 -9.904) 12.759 11.111 ( -2.909 2.086 0.610) 3.631 11.327 ( -1.029 10.789 -5.362) 12.092 11.537 ( -13.211 -3.917 4.413) 14.468 11.686 ( -14.891 -0.214 -1.567) 14.975 11.951 ( -9.527 1.526 13.787) 16.828 12.082 ( 0.419 1.228 0.438) 1.369 12.122 ( -6.625 0.390 0.104) 6.637 12.196 ( -2.518 7.289 1.256) 7.813 12.423 ( 3.875 -5.592 1.635) 6.997 12.619 ( 4.850 -4.964 0.116) 6.941 12.691 ( 6.546 -2.651 -6.566) 9.643 12.799 ( 2.959 0.876 -3.091) 4.367 13.023 ( 4.855 -10.367 8.077) 14.010 13.155 ( 7.263 1.204 5.332) 9.090 13.414 ( -6.537 -2.403 -2.148) 7.288 13.437 ( -2.707 7.205 -2.599) 8.124 13.580 ( -4.446 -6.797 1.478) 8.255 13.616 ( -4.929 -3.863 -0.063) 6.263 13.908 ( 0.652 -6.662 -4.387) 8.003 14.015 ( -1.458 -1.236 -6.298) 6.582 16.089 ( 3.551 -2.280 -0.734) 4.284 16.239 ( -0.758 -1.971 -6.824) 7.144 16.412 ( 1.676 -1.931 4.852) 5.484 16.564 ( -1.922 -2.705 1.727) 3.741 16.833 ( 0.195 -12.405 3.106) 12.789 16.890 ( -0.819 -8.832 3.570) 9.561 16.977 ( 2.632 -12.576 -1.932) 12.993 17.039 ( 0.451 -9.928 -2.048) 10.147 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 3.246 9.778 1.238) 10.377 2.459 ( -0.321 8.730 -1.166) 8.814 2.526 ( -1.508 6.218 -0.415) 6.412 2.558 ( -3.100 6.904 -2.412) 7.943 2.746 ( 4.544 2.035 3.072) 5.850 2.845 ( -1.593 2.898 1.295) 3.551 2.890 ( 2.781 3.798 -5.415) 7.175 3.026 ( -6.831 1.713 -6.534) 9.607 3.228 ( 3.407 8.904 0.343) 9.540 3.284 ( -1.832 6.874 -0.765) 7.155 3.387 ( 5.797 3.958 2.949) 7.613 3.464 ( -1.290 2.727 1.360) 3.309 3.677 ( 1.798 1.480 2.970) 3.774 3.752 ( 2.236 -1.436 2.521) 3.663 3.812 ( -7.996 1.582 0.224) 8.154 3.858 ( -5.058 -1.850 2.933) 6.133 4.143 ( 1.458 0.556 3.892) 4.193 4.197 ( -3.493 -1.871 1.923) 4.405 4.464 ( 6.216 7.019 2.488) 9.700 4.564 ( 1.083 3.970 -2.714) 4.929 4.605 ( -0.220 1.708 -0.267) 1.743 4.621 ( 1.757 1.738 -7.450) 7.849 4.807 ( 0.522 7.266 -4.122) 8.370 4.877 ( -6.139 10.574 -1.271) 12.293 5.055 ( 2.106 5.614 1.544) 6.192 5.092 ( -0.775 7.324 1.068) 7.442 5.220 ( 3.244 3.211 0.792) 4.633 5.259 ( 0.345 1.801 2.150) 2.826 5.355 ( 2.310 19.677 2.884) 20.021 5.429 ( -3.890 18.461 1.768) 18.949 5.493 ( 4.740 15.555 -2.796) 16.500 5.611 ( -5.908 14.053 -5.277) 16.132 5.865 ( 3.141 21.639 1.133) 21.895 5.923 ( -2.138 21.166 -0.685) 21.284 5.998 ( 1.015 17.673 -0.289) 17.704 6.024 ( -1.525 17.017 -0.422) 17.091 6.541 ( 4.148 1.014 -0.259) 4.278 6.577 ( 1.644 2.332 -1.873) 3.413 6.712 ( 0.512 1.906 3.667) 4.164 6.779 ( -4.945 1.691 0.695) 5.272 8.150 ( 0.226 -0.709 2.667) 2.769 8.159 ( -0.581 -0.768 2.062) 2.276 8.390 ( 2.638 -1.176 -1.371) 3.197 8.426 ( -0.500 -1.570 -2.230) 2.773 9.118 ( 7.208 5.887 2.311) 9.590 9.249 ( -1.620 5.208 -2.152) 5.864 9.412 ( 2.467 2.544 1.070) 3.702 9.536 ( -5.497 2.668 -3.123) 6.862 10.111 ( 5.948 -1.679 5.101) 8.014 10.218 ( -4.136 -1.946 3.748) 5.911 10.360 ( 7.574 -2.449 -2.593) 8.372 10.423 ( 4.261 -4.212 -2.125) 6.357 10.523 ( 4.274 -3.596 1.155) 5.704 10.601 ( -1.532 -5.117 2.128) 5.750 10.904 ( 6.153 2.363 -1.688) 6.804 11.024 ( -3.721 -4.910 -4.806) 7.814 11.123 ( 3.464 3.142 0.472) 4.700 11.246 ( -0.748 8.158 -3.506) 8.911 11.344 ( -7.904 -2.025 -1.974) 8.395 11.440 ( -6.770 5.427 -5.801) 10.437 11.761 ( -5.810 4.407 9.117) 11.674 11.831 ( -12.198 1.801 4.538) 13.139 12.154 ( 1.848 2.712 -2.349) 4.036 12.176 ( -0.711 4.184 -2.437) 4.894 12.544 ( 7.836 -0.468 4.886) 9.247 12.686 ( -3.220 -2.876 3.036) 5.278 12.771 ( 4.433 -1.875 -1.537) 5.052 12.839 ( -0.709 -2.589 0.900) 2.831 13.167 ( 8.109 -8.728 4.034) 12.578 13.258 ( 0.273 3.569 1.178) 3.769 13.332 ( 1.758 -0.888 1.761) 2.641 13.377 ( -2.810 8.548 -0.552) 9.015 13.478 ( -5.185 -10.234 -0.545) 11.485 13.490 ( -5.590 -5.773 -0.655) 8.062 13.933 ( 1.781 -5.094 -5.422) 7.650 13.975 ( -2.232 -2.953 -6.050) 7.093 16.164 ( 3.356 -2.517 -2.576) 4.923 16.215 ( -1.728 -2.649 -4.292) 5.331 16.460 ( 2.852 -3.378 3.292) 5.512 16.517 ( -2.619 -4.040 2.205) 5.295 16.839 ( 0.596 -10.042 2.912) 10.472 16.862 ( -1.556 -8.628 3.270) 9.358 17.030 ( 1.987 -11.394 -1.786) 11.703 17.048 ( 0.075 -10.298 -1.589) 10.420 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 0.000 10.162 -0.488) 10.174 2.578 ( 0.000 5.560 -0.677) 5.601 2.679 ( 0.000 0.648 0.866) 1.081 2.703 ( 0.000 6.418 -0.244) 6.423 2.784 ( 0.000 3.822 -0.682) 3.882 2.838 ( 0.000 0.583 -4.369) 4.408 3.054 ( 0.000 1.434 -1.770) 2.278 3.062 ( 0.000 -1.919 -2.965) 3.532 3.323 ( 0.000 5.811 9.169) 10.855 3.337 ( 0.000 7.105 -0.908) 7.162 3.457 ( 0.000 6.768 3.844) 7.783 3.535 ( 0.000 6.241 -5.277) 8.173 3.715 ( 0.000 -3.252 10.652) 11.138 3.859 ( 0.000 -3.539 1.910) 4.022 3.860 ( 0.000 -1.551 -2.835) 3.231 3.935 ( 0.000 -1.831 -3.140) 3.635 4.059 ( 0.000 -3.159 -1.336) 3.430 4.212 ( 0.000 -7.370 -3.980) 8.376 4.289 ( 0.000 -5.638 3.923) 6.869 4.297 ( 0.000 -4.113 0.925) 4.216 4.604 ( 0.000 -1.764 -1.481) 2.303 4.612 ( 0.000 0.597 -4.452) 4.492 4.853 ( 0.000 -7.271 2.050) 7.554 4.933 ( 0.000 -3.666 -2.690) 4.547 5.101 ( 0.000 8.879 1.167) 8.955 5.146 ( 0.000 7.038 1.107) 7.125 5.499 ( 0.000 11.746 -1.461) 11.836 5.567 ( 0.000 10.374 -3.408) 10.920 5.660 ( 0.000 13.179 5.122) 14.139 5.684 ( 0.000 12.306 4.581) 13.132 5.918 ( 0.000 18.190 3.032) 18.441 6.048 ( 0.000 13.173 -6.670) 14.766 6.132 ( 0.000 12.788 1.344) 12.859 6.207 ( 0.000 11.996 -1.723) 12.119 6.230 ( 0.000 9.674 -2.401) 9.968 6.376 ( 0.000 13.330 -3.669) 13.826 6.502 ( 0.000 3.906 1.902) 4.344 6.569 ( 0.000 6.387 0.257) 6.393 6.759 ( 0.000 0.676 3.900) 3.958 6.898 ( 0.000 -1.888 -1.080) 2.175 8.170 ( 0.000 2.229 1.748) 2.832 8.210 ( 0.000 4.089 3.807) 5.587 8.287 ( 0.000 -1.477 -2.632) 3.018 8.403 ( 0.000 0.574 -3.294) 3.344 9.088 ( 0.000 6.343 2.361) 6.768 9.161 ( 0.000 5.848 -0.427) 5.864 9.474 ( 0.000 -3.978 0.544) 4.015 9.508 ( 0.000 -4.724 -0.724) 4.779 10.045 ( 0.000 3.871 2.003) 4.359 10.201 ( 0.000 -4.232 -4.664) 6.298 10.209 ( 0.000 0.334 1.052) 1.104 10.273 ( 0.000 2.753 5.846) 6.462 10.342 ( 0.000 -3.443 -1.241) 3.659 10.501 ( 0.000 11.101 -2.927) 11.481 10.899 ( 0.000 6.290 1.233) 6.409 10.989 ( 0.000 -7.186 -5.602) 9.112 11.226 ( 0.000 7.197 1.637) 7.381 11.533 ( 0.000 4.111 -9.354) 10.217 11.566 ( 0.000 -8.408 7.281) 11.122 11.784 ( 0.000 -12.722 -2.335) 12.934 11.954 ( 0.000 -3.228 2.142) 3.874 11.978 ( 0.000 -11.788 2.195) 11.991 12.123 ( 0.000 3.467 13.930) 14.355 12.148 ( 0.000 -2.486 0.169) 2.491 12.399 ( 0.000 -6.518 -5.995) 8.856 12.493 ( 0.000 7.821 0.265) 7.826 12.645 ( 0.000 -9.790 9.133) 13.389 12.766 ( 0.000 4.123 -2.368) 4.755 12.854 ( 0.000 -2.081 -2.960) 3.619 13.045 ( 0.000 -2.603 -4.431) 5.139 13.248 ( 0.000 -5.640 3.975) 6.900 13.591 ( 0.000 -0.835 -8.352) 8.394 13.666 ( 0.000 2.861 1.389) 3.181 13.705 ( 0.000 3.655 -0.569) 3.699 13.791 ( 0.000 -0.903 2.507) 2.665 13.998 ( 0.000 -2.714 -5.142) 5.814 16.044 ( 0.000 1.774 0.279) 1.796 16.227 ( 0.000 -0.981 -7.438) 7.502 16.374 ( 0.000 -0.880 4.740) 4.821 16.517 ( 0.000 -7.013 0.805) 7.059 16.637 ( 0.000 -4.189 0.120) 4.190 16.702 ( 0.000 -7.171 -1.349) 7.296 16.807 ( 0.000 -3.264 3.974) 5.142 16.898 ( 0.000 -4.407 0.045) 4.407 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 0.298 8.950 -0.734) 8.985 2.581 ( 1.379 6.159 -0.885) 6.373 2.659 ( -2.776 0.705 1.351) 3.166 2.689 ( -0.484 6.210 -0.797) 6.279 2.774 ( -0.813 3.635 -0.815) 3.813 2.849 ( 1.673 1.038 -2.382) 3.091 3.004 ( -4.226 1.326 -3.512) 5.653 3.060 ( -0.964 -3.752 -4.445) 5.896 3.315 ( 0.823 2.630 6.890) 7.421 3.371 ( 0.847 8.550 2.230) 8.876 3.496 ( 1.819 7.109 3.561) 8.156 3.540 ( 1.633 5.424 -3.163) 6.488 3.693 ( -0.914 -0.014 6.692) 6.754 3.725 ( -3.641 -1.796 2.631) 4.838 3.911 ( -2.285 -1.391 -0.926) 2.831 3.952 ( -1.339 -0.345 -1.222) 1.845 4.069 ( 1.893 -3.161 0.273) 3.695 4.186 ( -3.883 -5.203 2.602) 6.994 4.292 ( 5.325 -8.226 -5.055) 11.026 4.374 ( 5.294 -3.882 -1.307) 6.693 4.587 ( -0.250 -0.918 -1.793) 2.030 4.662 ( 1.581 -0.540 -1.900) 2.530 4.862 ( -0.209 -5.435 -1.081) 5.546 4.943 ( 1.662 -6.225 -2.361) 6.862 5.132 ( 2.946 8.553 1.640) 9.193 5.158 ( 1.415 7.335 0.833) 7.517 5.430 ( -5.470 11.342 2.541) 12.845 5.485 ( -6.367 9.919 0.790) 11.813 5.691 ( 2.059 13.200 1.196) 13.413 5.705 ( 1.422 12.209 1.427) 12.375 5.862 ( -4.082 15.769 2.239) 16.442 5.992 ( -5.277 11.092 -5.128) 13.311 6.171 ( 4.117 15.512 1.044) 16.083 6.264 ( 3.129 12.069 -2.629) 12.742 6.265 ( 3.201 12.969 -1.400) 13.431 6.377 ( -0.183 13.945 -2.452) 14.160 6.524 ( 2.227 4.051 1.907) 5.000 6.595 ( 2.434 4.608 -0.753) 5.265 6.747 ( -1.128 0.634 3.660) 3.882 6.869 ( -2.740 -1.294 -0.764) 3.125 8.168 ( -0.181 2.434 1.647) 2.944 8.196 ( -0.999 3.082 2.372) 4.015 8.317 ( 2.454 -1.125 -1.318) 3.004 8.408 ( 0.237 -0.242 -2.849) 2.869 9.139 ( 4.938 7.668 2.534) 9.466 9.232 ( 6.661 5.587 -0.799) 8.730 9.493 ( 0.846 -0.719 0.788) 1.361 9.555 ( 3.687 -3.050 -1.429) 4.994 10.050 ( 0.724 3.580 4.021) 5.432 10.203 ( -0.305 -3.729 -0.459) 3.769 10.231 ( 2.287 -1.704 -0.235) 2.862 10.298 ( 2.935 -0.072 -0.194) 2.942 10.396 ( 3.082 -1.242 -1.308) 3.571 10.450 ( -1.871 3.151 0.262) 3.674 10.912 ( -4.489 -5.401 -2.619) 7.495 10.952 ( 0.898 1.188 -0.894) 1.737 11.204 ( -3.849 2.133 1.064) 4.527 11.358 ( -8.043 -2.641 -0.561) 8.484 11.593 ( -0.832 8.373 -3.848) 9.253 11.667 ( -7.950 -1.464 -3.873) 8.964 11.928 ( -1.020 -8.421 7.515) 11.333 12.036 ( -5.918 -5.224 0.262) 7.899 12.092 ( 1.307 1.477 3.488) 4.007 12.219 ( 5.543 -5.116 5.740) 9.479 12.332 ( -4.694 -0.529 -3.813) 6.071 12.497 ( 3.604 -4.163 -0.342) 5.517 12.608 ( -1.759 -7.351 6.008) 9.656 12.793 ( -1.541 -5.312 2.778) 6.189 12.929 ( 8.891 4.517 -2.884) 10.382 13.141 ( 5.348 -8.905 -5.561) 11.783 13.281 ( 4.937 2.670 4.532) 7.214 13.539 ( -6.587 3.154 -1.904) 7.547 13.601 ( -6.296 1.496 0.245) 6.476 13.671 ( -1.963 4.493 -3.140) 5.822 13.774 ( -0.530 -4.336 0.535) 4.401 13.971 ( -2.633 -3.143 -5.382) 6.766 16.081 ( 3.173 1.358 -0.743) 3.530 16.215 ( -0.985 -0.704 -6.010) 6.131 16.370 ( -0.266 -2.270 3.651) 4.308 16.476 ( -3.201 -6.209 0.157) 6.987 16.655 ( 2.128 -4.654 1.317) 5.284 16.768 ( 4.531 -5.917 -0.235) 7.456 16.797 ( -0.846 -3.305 2.954) 4.513 16.902 ( 0.229 -4.521 -0.069) 4.528 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -0.047 7.545 -0.246) 7.549 2.591 ( -2.610 4.386 0.624) 5.142 2.635 ( 3.337 4.922 -1.474) 6.127 2.688 ( -0.964 5.888 -3.327) 6.831 2.775 ( 2.096 1.445 1.674) 3.047 2.860 ( -4.186 -0.736 1.451) 4.491 2.943 ( 2.135 0.807 -5.693) 6.134 3.017 ( -3.383 -2.463 -6.318) 7.578 3.328 ( 0.718 1.321 3.997) 4.270 3.355 ( -1.779 4.340 5.802) 7.461 3.555 ( 3.114 7.032 1.217) 7.786 3.579 ( 1.302 4.041 -0.775) 4.316 3.681 ( 1.552 -0.705 5.663) 5.914 3.727 ( 0.759 4.109 3.429) 5.406 3.851 ( -2.974 2.342 1.421) 4.043 3.860 ( -5.073 2.954 0.250) 5.876 4.108 ( 1.634 -3.153 0.607) 3.603 4.135 ( -1.286 -3.706 2.022) 4.413 4.423 ( 5.876 -10.147 -8.541) 14.506 4.470 ( 2.400 -8.008 -5.870) 10.215 4.585 ( 0.816 0.980 0.729) 1.469 4.643 ( -3.248 0.403 2.611) 4.187 4.873 ( 2.539 -3.144 -5.744) 7.023 4.944 ( -2.792 -5.721 -5.428) 8.366 5.215 ( 4.510 7.327 2.924) 9.087 5.217 ( 4.562 8.733 2.443) 10.151 5.323 ( -4.480 8.107 5.069) 10.559 5.352 ( -6.264 7.949 3.886) 10.841 5.719 ( 1.578 14.171 0.031) 14.259 5.751 ( 0.973 12.825 -0.178) 12.863 5.795 ( -0.400 12.908 -0.000) 12.914 5.875 ( -5.698 10.738 -3.321) 12.602 6.255 ( 3.603 16.354 0.385) 16.751 6.300 ( -0.383 15.485 -0.746) 15.508 6.325 ( 2.574 13.805 -2.166) 14.209 6.362 ( -1.254 14.495 -1.339) 14.611 6.588 ( 3.688 3.267 1.237) 5.079 6.638 ( 0.129 3.539 -0.903) 3.654 6.733 ( 1.048 0.020 2.435) 2.651 6.797 ( -4.040 -0.231 0.078) 4.047 8.167 ( 0.196 2.511 1.471) 2.917 8.177 ( -0.769 2.483 1.503) 3.003 8.369 ( 2.347 -1.411 -0.872) 2.874 8.403 ( -0.907 -1.386 -1.700) 2.373 9.272 ( 7.597 9.230 1.990) 12.119 9.373 ( 2.669 6.959 -1.623) 7.628 9.482 ( 1.182 4.440 1.550) 4.849 9.580 ( -2.977 1.893 -1.984) 4.047 10.107 ( 4.969 1.182 4.651) 6.908 10.192 ( -1.759 -1.833 3.644) 4.442 10.290 ( 3.303 -3.283 -2.931) 5.502 10.350 ( 3.563 -1.639 -1.238) 4.113 10.404 ( -0.551 -7.562 1.983) 7.837 10.474 ( -1.609 -7.135 2.089) 7.607 10.809 ( -1.616 -11.983 -4.601) 12.938 10.883 ( -7.925 -8.579 -4.398) 12.480 11.172 ( 5.751 4.652 3.196) 8.058 11.317 ( -3.373 2.735 -2.236) 4.885 11.479 ( -1.510 12.299 -1.756) 12.515 11.586 ( -5.599 8.263 -7.260) 12.343 11.871 ( -3.092 3.942 7.224) 8.792 11.887 ( -4.485 0.871 5.641) 7.260 12.133 ( 2.190 -2.684 -4.386) 5.589 12.184 ( -3.268 -2.698 -5.020) 6.569 12.424 ( 7.421 -8.231 5.195) 12.240 12.550 ( -4.561 -9.331 6.663) 12.340 12.611 ( 6.677 -10.211 2.246) 12.405 12.732 ( -4.587 -8.929 2.596) 10.369 13.129 ( 9.906 2.968 0.102) 10.342 13.223 ( 3.596 -2.278 -3.752) 5.675 13.370 ( -7.461 2.051 1.974) 7.986 13.425 ( -4.878 1.396 -0.721) 5.125 13.447 ( 4.354 5.229 2.113) 7.125 13.596 ( -6.023 7.361 -0.662) 9.534 13.811 ( 3.793 -6.834 -4.506) 9.021 13.898 ( -4.333 -4.616 -5.535) 8.410 16.148 ( 2.895 0.731 -2.652) 3.993 16.191 ( -1.495 0.084 -4.132) 4.394 16.375 ( 0.974 -4.930 2.031) 5.420 16.413 ( -2.716 -6.067 0.558) 6.671 16.711 ( 2.957 -2.791 2.967) 5.033 16.764 ( -2.139 -1.721 4.059) 4.900 16.855 ( 3.299 -6.384 -1.401) 7.322 16.897 ( -0.966 -5.288 -0.627) 5.412 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 0.000 1.791 2.040) 2.715 2.663 ( 0.000 -0.101 1.156) 1.160 2.769 ( 0.000 8.827 0.553) 8.844 2.813 ( 0.000 2.398 -2.774) 3.666 2.841 ( 0.000 -0.002 -4.753) 4.753 2.874 ( 0.000 6.594 -3.361) 7.402 2.953 ( 0.000 -7.924 -1.068) 7.996 3.001 ( 0.000 -5.286 -1.953) 5.636 3.467 ( 0.000 5.717 3.799) 6.864 3.469 ( 0.000 6.613 8.365) 10.664 3.590 ( 0.000 -0.563 2.389) 2.455 3.610 ( 0.000 1.942 4.460) 4.864 3.661 ( 0.000 2.332 4.645) 5.198 3.770 ( 0.000 -4.634 -4.523) 6.475 3.844 ( 0.000 0.602 -4.850) 4.888 3.896 ( 0.000 -3.424 -3.283) 4.743 4.018 ( 0.000 0.710 -1.773) 1.910 4.083 ( 0.000 -5.142 -3.509) 6.225 4.201 ( 0.000 -2.098 2.791) 3.491 4.217 ( 0.000 -3.168 1.767) 3.628 4.598 ( 0.000 1.424 -0.704) 1.588 4.630 ( 0.000 0.146 -2.532) 2.536 4.745 ( 0.000 -1.668 0.902) 1.896 4.813 ( 0.000 -6.314 -2.606) 6.831 5.241 ( 0.000 3.938 1.661) 4.274 5.251 ( 0.000 2.754 1.391) 3.086 5.668 ( 0.000 4.965 -0.628) 5.004 5.693 ( 0.000 2.461 -1.189) 2.733 5.841 ( 0.000 4.642 4.586) 6.525 5.848 ( 0.000 3.931 4.986) 6.349 6.171 ( 0.000 6.926 -3.306) 7.674 6.208 ( 0.000 2.998 -6.903) 7.526 6.327 ( 0.000 6.194 1.074) 6.287 6.360 ( 0.000 3.226 0.743) 3.310 6.410 ( 0.000 7.158 -1.715) 7.360 6.490 ( 0.000 -0.459 -2.343) 2.388 6.625 ( 0.000 5.863 2.258) 6.283 6.662 ( 0.000 2.060 1.027) 2.302 6.782 ( 0.000 1.894 0.983) 2.134 6.839 ( 0.000 -3.484 -0.757) 3.565 8.227 ( 0.000 2.726 0.422) 2.759 8.264 ( 0.000 -1.118 -1.041) 1.527 8.304 ( 0.000 4.915 1.301) 5.084 8.386 ( 0.000 -2.699 -1.653) 3.164 9.225 ( 0.000 7.067 0.948) 7.130 9.267 ( 0.000 4.469 -0.926) 4.564 9.387 ( 0.000 -4.499 0.322) 4.511 9.391 ( 0.000 -6.297 0.317) 6.305 10.084 ( 0.000 1.288 -0.929) 1.589 10.126 ( 0.000 -2.980 -2.580) 3.942 10.246 ( 0.000 1.981 0.571) 2.062 10.286 ( 0.000 -2.204 -0.130) 2.208 10.435 ( 0.000 13.021 7.766) 15.161 10.711 ( 0.000 -8.183 0.464) 8.196 10.827 ( 0.000 10.636 1.173) 10.700 11.042 ( 0.000 5.478 0.234) 5.483 11.264 ( 0.000 -18.137 -2.615) 18.324 11.270 ( 0.000 -6.191 0.919) 6.259 11.526 ( 0.000 7.317 -0.260) 7.321 11.712 ( 0.000 -7.310 -7.319) 10.344 11.860 ( 0.000 3.235 3.393) 4.688 11.912 ( 0.000 -0.933 1.626) 1.874 12.081 ( 0.000 -2.642 -1.634) 3.107 12.119 ( 0.000 -4.751 1.349) 4.939 12.348 ( 0.000 3.075 4.748) 5.657 12.458 ( 0.000 -7.249 10.665) 12.895 12.650 ( 0.000 7.772 0.153) 7.774 12.794 ( 0.000 -3.417 -0.693) 3.487 12.856 ( 0.000 0.558 -4.331) 4.367 12.887 ( 0.000 -5.749 -4.984) 7.608 13.319 ( 0.000 7.364 0.470) 7.379 13.477 ( 0.000 -7.996 -5.284) 9.584 13.726 ( 0.000 2.439 1.025) 2.646 13.740 ( 0.000 1.083 0.804) 1.349 13.852 ( 0.000 3.627 -0.028) 3.627 13.927 ( 0.000 -3.989 -2.588) 4.755 16.107 ( 0.000 4.140 -0.555) 4.177 16.188 ( 0.000 -3.260 -3.161) 4.541 16.363 ( 0.000 -0.020 1.232) 1.232 16.393 ( 0.000 -3.790 -0.951) 3.907 16.598 ( 0.000 -0.728 -1.522) 1.687 16.610 ( 0.000 -2.277 -2.047) 3.062 16.794 ( 0.000 1.187 4.676) 4.825 16.833 ( 0.000 -2.473 2.621) 3.604 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 0.194 1.601 2.355) 2.854 2.657 ( -0.664 -0.386 1.956) 2.102 2.761 ( -1.061 8.207 -0.957) 8.330 2.817 ( -0.145 4.779 -1.889) 5.141 2.832 ( -1.250 1.300 -4.440) 4.792 2.864 ( 0.172 2.742 -3.764) 4.660 2.941 ( -1.328 -7.230 -2.572) 7.788 2.966 ( -2.931 -4.632 -4.260) 6.942 3.405 ( -2.498 5.686 7.406) 9.665 3.481 ( -1.405 0.904 8.681) 8.840 3.578 ( -0.906 -0.076 3.909) 4.013 3.589 ( -4.254 -1.299 6.662) 8.010 3.680 ( 4.550 5.914 -0.007) 7.462 3.788 ( 2.741 -1.094 -2.186) 3.673 3.886 ( 3.207 2.468 -2.477) 4.745 3.944 ( 2.193 -1.186 -3.025) 3.919 4.047 ( 2.318 0.982 -1.266) 2.818 4.104 ( 0.877 -3.507 -4.091) 5.459 4.158 ( -1.409 -2.301 -0.123) 2.701 4.241 ( 1.589 -7.582 -1.408) 7.874 4.619 ( 1.739 3.399 -0.380) 3.837 4.671 ( 2.171 1.054 -2.598) 3.546 4.740 ( -0.133 -4.036 0.575) 4.079 4.803 ( -0.543 -6.853 -2.288) 7.246 5.264 ( 2.382 3.705 1.761) 4.743 5.270 ( 2.009 3.025 1.468) 3.917 5.595 ( -6.088 4.852 2.119) 8.068 5.616 ( -6.487 2.875 1.550) 7.263 5.865 ( 1.998 4.300 2.199) 5.226 5.868 ( 1.601 4.018 1.837) 4.699 6.089 ( -5.656 6.667 -1.887) 8.944 6.129 ( -5.820 2.542 -4.332) 7.687 6.399 ( 5.109 6.645 -0.139) 8.383 6.431 ( 4.798 3.629 -0.614) 6.047 6.461 ( 4.130 6.926 -1.959) 8.299 6.528 ( 2.955 0.861 -2.422) 3.917 6.627 ( 0.246 5.184 2.415) 5.724 6.663 ( 0.261 1.458 0.888) 1.727 6.769 ( -1.373 1.855 0.918) 2.484 6.822 ( -1.743 -3.032 -0.666) 3.560 8.232 ( 0.374 3.192 0.482) 3.250 8.266 ( -0.291 1.942 -0.792) 2.117 8.301 ( 0.308 1.065 1.118) 1.574 8.374 ( -1.059 -3.350 -1.426) 3.792 9.303 ( 7.025 8.347 1.282) 10.985 9.348 ( 7.316 5.644 -0.489) 9.253 9.451 ( 5.808 -3.626 0.074) 6.847 9.460 ( 6.361 -6.300 -0.207) 8.956 10.085 ( -0.083 0.868 -0.443) 0.978 10.129 ( -0.245 -3.389 -2.467) 4.199 10.270 ( 2.260 1.399 1.522) 3.062 10.302 ( 1.266 -0.279 0.783) 1.514 10.390 ( -3.532 7.757 6.075) 10.467 10.618 ( -7.550 -0.280 -1.615) 7.726 10.682 ( -11.152 -1.165 3.260) 11.677 10.931 ( -13.835 -12.104 -2.223) 18.517 11.213 ( 5.727 9.327 2.409) 11.207 11.430 ( 5.452 -3.192 -5.574) 8.425 11.550 ( 2.179 -0.824 0.929) 2.508 11.679 ( -2.545 -3.588 -4.444) 6.254 11.870 ( 0.874 4.721 2.379) 5.359 11.951 ( 1.483 -1.329 -1.908) 2.758 12.070 ( 0.008 -4.501 -0.018) 4.501 12.114 ( -0.561 -5.124 0.948) 5.241 12.332 ( -1.007 3.237 3.397) 4.800 12.442 ( -1.312 -6.821 9.276) 11.588 12.529 ( -7.242 5.337 1.054) 9.058 12.673 ( -7.192 -7.784 1.113) 10.656 12.993 ( 9.339 1.911 -3.040) 10.005 13.025 ( 9.006 -2.102 -3.526) 9.898 13.390 ( 6.470 6.507 -0.062) 9.176 13.522 ( 3.387 -5.782 -5.096) 8.419 13.639 ( -7.627 1.806 1.347) 7.953 13.655 ( -7.163 -0.205 1.313) 7.285 13.819 ( -3.387 3.925 -0.530) 5.211 13.897 ( -3.146 -3.982 -3.069) 5.931 16.132 ( 2.226 3.349 -1.103) 4.170 16.193 ( 0.540 -2.086 -3.080) 3.759 16.335 ( -2.461 -0.694 0.822) 2.686 16.363 ( -2.690 -3.836 -1.131) 4.820 16.624 ( 3.192 0.706 -0.325) 3.285 16.667 ( 4.235 -3.542 -1.559) 5.737 16.794 ( -0.293 1.425 4.352) 4.588 16.835 ( -0.080 -2.571 2.280) 3.437 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 0.989 2.151 1.772) 2.957 2.672 ( 2.891 1.053 0.974) 3.227 2.709 ( -2.853 4.394 -0.064) 5.240 2.774 ( -4.724 -0.146 -1.241) 4.887 2.827 ( 1.040 4.870 -3.301) 5.975 2.855 ( -1.552 1.948 -2.957) 3.866 2.916 ( 0.917 -3.006 -6.254) 6.999 2.938 ( -0.881 -5.095 -5.567) 7.598 3.389 ( 1.137 4.694 7.802) 9.176 3.439 ( -2.902 3.900 8.545) 9.831 3.513 ( -1.018 -5.413 7.286) 9.134 3.543 ( -2.835 -4.460 6.080) 8.056 3.796 ( 6.748 7.462 0.784) 10.091 3.879 ( 4.732 2.277 -0.897) 5.327 3.919 ( -3.572 4.464 0.291) 5.724 3.943 ( -0.024 4.598 -0.558) 4.632 4.074 ( 0.198 0.075 -0.699) 0.730 4.078 ( -0.788 2.865 -2.634) 3.971 4.213 ( 3.825 -10.216 -6.738) 12.821 4.259 ( -0.452 -11.381 -5.340) 12.580 4.650 ( 1.169 4.670 -0.453) 4.835 4.672 ( -1.182 3.494 -0.417) 3.712 4.758 ( 1.805 -6.306 -3.200) 7.298 4.793 ( -1.056 -7.709 -2.903) 8.305 5.338 ( 4.915 3.714 2.787) 6.761 5.343 ( 5.242 3.218 2.541) 6.655 5.459 ( -6.752 4.231 3.833) 8.842 5.472 ( -7.114 3.012 3.309) 8.405 5.908 ( 2.639 4.985 0.046) 5.641 5.921 ( 3.417 3.861 -0.606) 5.191 5.983 ( -4.435 5.676 -0.793) 7.247 6.013 ( -5.273 2.774 -2.284) 6.381 6.492 ( 3.607 6.919 -0.759) 7.840 6.516 ( 3.100 4.825 -0.596) 5.766 6.526 ( 1.276 6.859 -1.864) 7.221 6.560 ( -0.569 4.425 -1.143) 4.605 6.652 ( 2.680 2.890 1.653) 4.274 6.691 ( 2.311 0.162 -0.156) 2.322 6.725 ( -2.364 0.775 0.927) 2.655 6.769 ( -3.374 -2.330 -0.467) 4.127 8.240 ( 0.445 4.212 0.546) 4.270 8.252 ( -0.756 4.705 0.262) 4.773 8.322 ( 1.358 -3.299 0.055) 3.568 8.349 ( -1.313 -4.065 -0.743) 4.336 9.463 ( 7.413 8.888 0.878) 11.607 9.510 ( 6.046 5.808 -0.914) 8.433 9.559 ( 3.175 1.786 0.279) 3.653 9.588 ( 3.455 -2.360 -0.711) 4.244 10.110 ( 4.321 -1.014 2.328) 5.012 10.128 ( 1.824 -2.984 1.226) 3.706 10.263 ( -5.058 -3.276 5.659) 8.267 10.291 ( -7.093 -1.403 3.599) 8.077 10.348 ( 3.049 2.028 0.012) 3.662 10.438 ( -7.670 7.840 -2.409) 11.230 10.545 ( 0.248 -12.708 -2.199) 12.899 10.658 ( -10.572 -12.434 -3.332) 16.657 11.345 ( 6.418 12.036 0.777) 13.662 11.451 ( -3.196 9.608 -2.824) 10.512 11.607 ( 2.584 -9.644 -1.243) 10.061 11.639 ( -1.175 -3.059 -2.606) 4.187 11.889 ( 1.021 6.839 0.922) 6.975 11.924 ( -2.587 7.078 -1.246) 7.638 12.094 ( 0.933 -6.953 -2.482) 7.442 12.103 ( -0.335 -6.610 -1.888) 6.882 12.338 ( 2.138 2.042 3.311) 4.439 12.406 ( -3.819 -1.079 7.072) 8.110 12.449 ( 1.436 -5.938 3.760) 7.173 12.535 ( -6.166 -9.388 4.148) 11.974 13.194 ( 10.385 2.649 -0.643) 10.737 13.218 ( 10.049 0.198 -1.791) 10.210 13.419 ( -10.431 2.041 0.759) 10.656 13.439 ( -10.150 0.084 0.010) 10.151 13.558 ( 7.817 5.351 -0.347) 9.479 13.670 ( 6.001 -5.407 -3.860) 8.952 13.716 ( -6.335 3.642 -0.656) 7.337 13.803 ( -5.947 -4.660 -3.592) 8.366 16.185 ( 2.604 2.655 -1.934) 4.192 16.209 ( 0.605 1.174 -2.833) 3.125 16.285 ( -1.670 -3.291 0.048) 3.691 16.302 ( -2.819 -4.333 -1.151) 5.296 16.704 ( 4.059 1.504 1.666) 4.638 16.753 ( 3.077 -2.499 0.046) 3.964 16.773 ( -1.238 0.532 3.068) 3.351 16.817 ( -1.862 -3.030 1.295) 3.784 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 0.000 0.000 -25.122) 25.122 1.186 ( 0.000 0.000 25.122) 25.122 1.210 ( 0.000 0.000 -24.010) 24.010 1.210 ( 0.000 0.000 24.010) 24.010 2.133 ( 0.000 0.000 -35.565) 35.565 2.133 ( 0.000 0.000 35.565) 35.565 2.170 ( 0.000 0.000 -5.263) 5.263 2.170 ( 0.000 0.000 5.263) 5.263 2.538 ( 0.000 0.000 -1.598) 1.598 2.538 ( 0.000 0.000 1.598) 1.598 2.590 ( 0.000 0.000 -10.862) 10.862 2.590 ( 0.000 0.000 10.862) 10.862 2.717 ( 0.000 0.000 -6.988) 6.988 2.717 ( 0.000 0.000 6.988) 6.988 2.772 ( 0.000 0.000 -1.623) 1.623 2.772 ( 0.000 0.000 1.623) 1.623 2.821 ( 0.000 0.000 -0.393) 0.393 2.821 ( 0.000 0.000 0.393) 0.393 2.830 ( 0.000 0.000 -7.918) 7.918 2.830 ( 0.000 0.000 7.918) 7.918 3.196 ( 0.000 0.000 -3.473) 3.473 3.196 ( 0.000 0.000 3.473) 3.473 3.983 ( 0.000 0.000 -6.572) 6.572 3.983 ( 0.000 0.000 6.572) 6.572 4.226 ( 0.000 0.000 -1.416) 1.416 4.226 ( 0.000 0.000 1.416) 1.416 4.725 ( 0.000 0.000 -15.373) 15.373 4.725 ( 0.000 0.000 15.373) 15.373 5.064 ( 0.000 0.000 -8.232) 8.232 5.064 ( 0.000 0.000 8.232) 8.232 5.352 ( 0.000 0.000 -10.386) 10.386 5.352 ( 0.000 0.000 10.386) 10.386 5.775 ( 0.000 0.000 -3.976) 3.976 5.775 ( 0.000 0.000 3.976) 3.976 5.901 ( 0.000 0.000 -0.151) 0.151 5.901 ( 0.000 0.000 0.151) 0.151 6.345 ( 0.000 0.000 -4.488) 4.488 6.345 ( 0.000 0.000 4.488) 4.488 7.279 ( 0.000 0.000 -5.203) 5.203 7.279 ( 0.000 0.000 5.203) 5.203 8.260 ( 0.000 0.000 -9.870) 9.870 8.260 ( 0.000 0.000 9.870) 9.870 8.585 ( 0.000 0.000 -9.087) 9.087 8.585 ( 0.000 0.000 9.087) 9.087 8.590 ( 0.000 0.000 -11.275) 11.275 8.590 ( 0.000 0.000 11.275) 11.275 8.904 ( 0.000 0.000 -0.104) 0.104 8.904 ( 0.000 0.000 0.104) 0.104 9.268 ( 0.000 0.000 -4.235) 4.235 9.268 ( 0.000 0.000 4.235) 4.235 9.997 ( 0.000 0.000 -2.656) 2.656 9.997 ( 0.000 0.000 2.656) 2.656 10.150 ( 0.000 0.000 -7.317) 7.317 10.150 ( 0.000 0.000 7.317) 7.317 10.716 ( 0.000 0.000 -1.319) 1.319 10.716 ( 0.000 0.000 1.319) 1.319 10.820 ( 0.000 0.000 -13.916) 13.916 10.820 ( 0.000 0.000 13.916) 13.916 11.311 ( 0.000 0.000 -9.251) 9.251 11.311 ( 0.000 0.000 9.251) 9.251 11.511 ( 0.000 0.000 -1.231) 1.231 11.511 ( 0.000 0.000 1.231) 1.231 11.760 ( 0.000 0.000 -0.280) 0.280 11.760 ( 0.000 0.000 0.280) 0.280 12.855 ( 0.000 0.000 -0.425) 0.425 12.855 ( 0.000 0.000 0.425) 0.425 12.882 ( 0.000 0.000 -0.118) 0.118 12.882 ( 0.000 0.000 0.118) 0.118 13.079 ( 0.000 0.000 -9.748) 9.748 13.079 ( 0.000 0.000 9.748) 9.748 13.376 ( 0.000 0.000 -1.846) 1.846 13.376 ( 0.000 0.000 1.846) 1.846 14.301 ( 0.000 0.000 -1.071) 1.071 14.301 ( 0.000 0.000 1.071) 1.071 14.653 ( 0.000 0.000 -4.195) 4.195 14.653 ( 0.000 0.000 4.195) 4.195 16.263 ( 0.000 0.000 -1.561) 1.561 16.263 ( 0.000 0.000 1.561) 1.561 16.699 ( 0.000 0.000 -1.198) 1.198 16.699 ( 0.000 0.000 1.198) 1.198 18.095 ( 0.000 0.000 -6.289) 6.289 18.095 ( 0.000 0.000 6.289) 6.289 18.593 ( 0.000 0.000 -2.958) 2.958 18.593 ( 0.000 0.000 2.958) 2.958 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 9.379 0.000 -21.063) 23.057 1.311 ( 9.379 0.000 21.063) 23.057 1.341 ( 13.882 0.000 -20.979) 25.156 1.341 ( 13.882 0.000 20.979) 25.156 2.074 ( -8.844 0.000 -6.403) 10.919 2.074 ( -8.844 0.000 6.403) 10.919 2.237 ( 8.274 0.000 -25.209) 26.533 2.237 ( 8.274 0.000 25.209) 26.533 2.430 ( -11.169 0.000 -12.716) 16.925 2.430 ( -11.169 0.000 12.716) 16.925 2.556 ( 1.481 0.000 -0.855) 1.710 2.556 ( 1.481 0.000 0.855) 1.710 2.677 ( -2.557 0.000 -3.416) 4.267 2.677 ( -2.557 0.000 3.416) 4.267 2.888 ( 4.731 0.000 -2.772) 5.483 2.888 ( 4.731 0.000 2.772) 5.483 2.913 ( 7.078 0.000 -8.977) 11.432 2.913 ( 7.078 0.000 8.977) 11.432 2.928 ( 12.231 0.000 -10.865) 16.360 2.928 ( 12.231 0.000 10.865) 16.360 3.181 ( -1.454 0.000 -3.236) 3.548 3.181 ( -1.454 0.000 3.236) 3.548 3.857 ( -9.770 0.000 -11.216) 14.874 3.857 ( -9.770 0.000 11.216) 14.874 4.198 ( -6.196 0.000 -14.305) 15.589 4.198 ( -6.196 0.000 14.305) 15.589 4.501 ( -14.093 0.000 -16.362) 21.595 4.501 ( -14.093 0.000 16.362) 21.595 5.168 ( 2.836 0.000 -5.028) 5.773 5.168 ( 2.836 0.000 5.028) 5.773 5.398 ( 5.201 0.000 -9.335) 10.686 5.398 ( 5.201 0.000 9.335) 10.686 5.742 ( -2.716 0.000 -0.777) 2.825 5.742 ( -2.716 0.000 0.777) 2.825 5.962 ( 5.596 0.000 -1.191) 5.721 5.962 ( 5.596 0.000 1.191) 5.721 6.395 ( 5.074 0.000 -7.366) 8.945 6.395 ( 5.074 0.000 7.366) 8.945 7.224 ( -5.197 0.000 -5.504) 7.570 7.224 ( -5.197 0.000 5.504) 7.570 8.270 ( 0.901 0.000 -9.206) 9.250 8.270 ( 0.901 0.000 9.206) 9.250 8.535 ( -4.122 0.000 -8.300) 9.267 8.535 ( -4.122 0.000 8.300) 9.267 8.639 ( 2.841 0.000 -7.365) 7.894 8.639 ( 2.841 0.000 7.365) 7.894 8.877 ( -1.333 0.000 -2.946) 3.234 8.877 ( -1.333 0.000 2.946) 3.234 9.349 ( 7.056 0.000 -3.651) 7.945 9.349 ( 7.056 0.000 3.651) 7.945 9.950 ( -4.346 0.000 -2.670) 5.101 9.950 ( -4.346 0.000 2.670) 5.101 10.270 ( 10.476 0.000 -5.408) 11.789 10.270 ( 10.476 0.000 5.408) 11.789 10.720 ( 0.396 0.000 -1.040) 1.113 10.720 ( 0.396 0.000 1.040) 1.113 10.758 ( -4.626 0.000 -8.818) 9.958 10.758 ( -4.626 0.000 8.818) 9.958 11.444 ( 11.353 0.000 -5.119) 12.454 11.444 ( 11.353 0.000 5.119) 12.454 11.512 ( 0.113 0.000 -0.996) 1.002 11.512 ( 0.113 0.000 0.996) 1.002 11.826 ( 5.347 0.000 -3.772) 6.543 11.826 ( 5.347 0.000 3.772) 6.543 12.855 ( -0.008 0.000 -0.348) 0.348 12.855 ( -0.008 0.000 0.348) 0.348 12.882 ( -0.028 0.000 -0.102) 0.106 12.882 ( -0.028 0.000 0.102) 0.106 12.909 ( -18.187 0.000 -8.290) 19.987 12.909 ( -18.187 0.000 8.290) 19.987 13.265 ( -5.806 0.000 -1.884) 6.104 13.265 ( -5.806 0.000 1.884) 6.104 14.276 ( -2.160 0.000 -1.455) 2.604 14.276 ( -2.160 0.000 1.455) 2.604 14.671 ( 1.353 0.000 -3.421) 3.679 14.671 ( 1.353 0.000 3.421) 3.679 16.342 ( 6.789 0.000 -2.808) 7.346 16.342 ( 6.789 0.000 2.808) 7.346 16.737 ( 2.724 0.000 -2.716) 3.847 16.737 ( 2.724 0.000 2.716) 3.847 18.086 ( -0.995 0.000 -5.824) 5.908 18.086 ( -0.995 0.000 5.824) 5.908 18.490 ( -7.989 0.000 -1.323) 8.098 18.490 ( -7.989 0.000 1.323) 8.098 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 13.128 0.000 -14.735) 19.735 1.550 ( 13.128 0.000 14.735) 19.735 1.674 ( 17.360 0.000 -14.920) 22.890 1.674 ( 17.360 0.000 14.920) 22.890 1.847 ( -12.656 0.000 -9.450) 15.795 1.847 ( -12.656 0.000 9.450) 15.795 2.068 ( -16.670 0.000 -12.476) 20.821 2.068 ( -16.670 0.000 12.476) 20.821 2.543 ( 11.648 0.000 -20.920) 23.945 2.543 ( 11.648 0.000 20.920) 23.945 2.590 ( 1.776 0.000 -0.901) 1.991 2.590 ( 1.776 0.000 0.901) 1.991 2.630 ( -2.026 0.000 -0.649) 2.127 2.630 ( -2.026 0.000 0.649) 2.127 2.972 ( 2.882 0.000 -1.825) 3.411 2.972 ( 2.882 0.000 1.825) 3.411 3.014 ( 1.502 0.000 -7.880) 8.022 3.014 ( 1.502 0.000 7.880) 8.022 3.145 ( -1.546 0.000 -1.878) 2.433 3.145 ( -1.546 0.000 1.878) 2.433 3.187 ( 9.911 0.000 -10.022) 14.095 3.187 ( 9.911 0.000 10.022) 14.095 3.659 ( -7.625 0.000 -8.445) 11.378 3.659 ( -7.625 0.000 8.445) 11.378 4.013 ( -7.373 0.000 -9.630) 12.128 4.013 ( -7.373 0.000 9.630) 12.128 4.275 ( -7.461 0.000 -7.236) 10.394 4.275 ( -7.461 0.000 7.236) 10.394 5.184 ( 0.108 0.000 -4.240) 4.241 5.184 ( 0.108 0.000 4.240) 4.241 5.464 ( 0.691 0.000 -2.029) 2.144 5.464 ( 0.691 0.000 2.029) 2.144 5.725 ( 0.778 0.000 -0.865) 1.163 5.725 ( 0.778 0.000 0.865) 1.163 6.060 ( 2.813 0.000 -0.868) 2.944 6.060 ( 2.813 0.000 0.868) 2.944 6.524 ( 5.619 0.000 -5.566) 7.909 6.524 ( 5.619 0.000 5.566) 7.909 7.103 ( -5.059 0.000 -4.680) 6.892 7.103 ( -5.059 0.000 4.680) 6.892 8.292 ( 1.011 0.000 -5.178) 5.276 8.292 ( 1.011 0.000 5.178) 5.276 8.457 ( -2.644 0.000 -4.739) 5.427 8.457 ( -2.644 0.000 4.739) 5.427 8.644 ( -1.243 0.000 -2.497) 2.790 8.644 ( -1.243 0.000 2.497) 2.790 8.892 ( 1.641 0.000 -2.327) 2.847 8.892 ( 1.641 0.000 2.327) 2.847 9.498 ( 5.957 0.000 -2.117) 6.322 9.498 ( 5.957 0.000 2.117) 6.322 9.846 ( -4.622 0.000 -1.848) 4.978 9.846 ( -4.622 0.000 1.848) 4.978 10.492 ( 9.386 0.000 -0.752) 9.416 10.492 ( 9.386 0.000 0.752) 9.416 10.663 ( -4.771 0.000 -4.460) 6.531 10.663 ( -4.771 0.000 4.460) 6.531 10.728 ( 0.227 0.000 -0.383) 0.445 10.728 ( 0.227 0.000 0.383) 0.445 11.514 ( 0.070 0.000 -0.380) 0.386 11.514 ( 0.070 0.000 0.380) 0.386 11.717 ( 14.355 0.000 -6.202) 15.637 11.717 ( 14.355 0.000 6.202) 15.637 11.897 ( -0.788 0.000 -5.553) 5.609 11.897 ( -0.788 0.000 5.553) 5.609 12.486 ( -17.177 0.000 -3.362) 17.503 12.486 ( -17.177 0.000 3.362) 17.503 12.855 ( -0.005 0.000 -0.136) 0.136 12.855 ( -0.005 0.000 0.136) 0.136 12.881 ( -0.017 0.000 -0.043) 0.046 12.881 ( -0.017 0.000 0.043) 0.046 13.202 ( -1.202 0.000 -0.995) 1.561 13.202 ( -1.202 0.000 0.995) 1.561 14.236 ( -1.300 0.000 -0.568) 1.418 14.236 ( -1.300 0.000 0.568) 1.418 14.693 ( 0.607 0.000 -1.263) 1.401 14.693 ( 0.607 0.000 1.263) 1.401 16.478 ( 4.953 0.000 -2.125) 5.389 16.478 ( 4.953 0.000 2.125) 5.389 16.767 ( 0.096 0.000 -1.979) 1.981 16.767 ( 0.096 0.000 1.979) 1.981 18.059 ( -1.190 0.000 -2.701) 2.952 18.059 ( -1.190 0.000 2.701) 2.952 18.362 ( -3.466 0.000 -1.431) 3.750 18.362 ( -3.466 0.000 1.431) 3.750 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.000 9.683 -21.834) 23.885 1.287 ( 0.000 9.683 21.834) 23.885 1.406 ( 0.000 15.933 -22.118) 27.259 1.406 ( 0.000 15.933 22.118) 27.259 2.275 ( 0.000 16.962 -13.933) 21.951 2.275 ( 0.000 16.962 13.933) 21.951 2.392 ( 0.000 14.949 -1.067) 14.987 2.392 ( 0.000 14.949 1.067) 14.987 2.597 ( 0.000 6.056 -1.746) 6.303 2.597 ( 0.000 6.056 1.746) 6.303 2.646 ( 0.000 6.855 -2.326) 7.239 2.646 ( 0.000 6.855 2.326) 7.239 2.774 ( 0.000 1.640 -7.805) 7.975 2.774 ( 0.000 1.640 7.805) 7.975 2.844 ( 0.000 10.314 -6.313) 12.093 2.844 ( 0.000 10.314 6.313) 12.093 2.924 ( 0.000 14.454 -1.821) 14.568 2.924 ( 0.000 14.454 1.821) 14.568 3.029 ( 0.000 16.895 -0.544) 16.903 3.029 ( 0.000 16.895 0.544) 16.903 3.377 ( 0.000 16.945 -3.775) 17.360 3.377 ( 0.000 16.945 3.775) 17.360 3.976 ( 0.000 -0.434 -6.367) 6.382 3.976 ( 0.000 -0.434 6.367) 6.382 4.229 ( 0.000 0.501 -1.760) 1.830 4.229 ( 0.000 0.501 1.760) 1.830 4.711 ( 0.000 -1.207 -15.846) 15.892 4.711 ( 0.000 -1.207 15.846) 15.892 5.053 ( 0.000 -1.109 -7.747) 7.826 5.053 ( 0.000 -1.109 7.747) 7.826 5.312 ( 0.000 -3.698 -8.091) 8.896 5.312 ( 0.000 -3.698 8.091) 8.896 5.755 ( 0.000 -1.986 -4.319) 4.754 5.755 ( 0.000 -1.986 4.319) 4.754 5.879 ( 0.000 -1.657 -0.689) 1.794 5.879 ( 0.000 -1.657 0.689) 1.794 6.331 ( 0.000 -1.110 -3.605) 3.772 6.331 ( 0.000 -1.110 3.605) 3.772 7.163 ( 0.000 -9.202 -4.315) 10.164 7.163 ( 0.000 -9.202 4.315) 10.164 8.344 ( 0.000 5.066 -5.627) 7.572 8.344 ( 0.000 5.066 5.627) 7.572 8.565 ( 0.000 -1.694 -9.758) 9.904 8.565 ( 0.000 -1.694 9.758) 9.904 8.750 ( 0.000 11.553 -6.470) 13.241 8.750 ( 0.000 11.553 6.470) 13.241 8.893 ( 0.000 2.223 -1.002) 2.438 8.893 ( 0.000 2.223 1.002) 2.438 9.450 ( 0.000 16.395 -3.667) 16.800 9.450 ( 0.000 16.395 3.667) 16.800 10.111 ( 0.000 9.902 -2.607) 10.239 10.111 ( 0.000 9.902 2.607) 10.239 10.172 ( 0.000 2.820 -8.945) 9.379 10.172 ( 0.000 2.820 8.945) 9.379 10.666 ( 0.000 -3.421 -4.768) 5.868 10.666 ( 0.000 -3.421 4.768) 5.868 10.907 ( 0.000 6.979 -11.273) 13.258 10.907 ( 0.000 6.979 11.273) 13.258 11.269 ( 0.000 -3.931 -8.847) 9.681 11.269 ( 0.000 -3.931 8.847) 9.681 11.452 ( 0.000 -2.675 -2.477) 3.646 11.452 ( 0.000 -2.675 2.477) 3.646 11.919 ( 0.000 11.408 -0.815) 11.437 11.919 ( 0.000 11.408 0.815) 11.437 12.679 ( 0.000 -14.111 -0.230) 14.113 12.679 ( 0.000 -14.111 0.230) 14.113 12.878 ( 0.000 0.091 -0.694) 0.700 12.878 ( 0.000 0.091 0.694) 0.700 13.075 ( 0.000 -0.552 -9.460) 9.476 13.075 ( 0.000 -0.552 9.460) 9.476 13.452 ( 0.000 6.137 -2.440) 6.605 13.452 ( 0.000 6.137 2.440) 6.605 14.287 ( 0.000 -1.890 -0.645) 1.997 14.287 ( 0.000 -1.890 0.645) 1.997 14.579 ( 0.000 -7.245 -3.614) 8.097 14.579 ( 0.000 -7.245 3.614) 8.097 16.319 ( 0.000 3.853 -0.337) 3.868 16.319 ( 0.000 3.853 0.337) 3.868 16.673 ( 0.000 -2.324 -0.263) 2.339 16.673 ( 0.000 -2.324 0.263) 2.339 18.010 ( 0.000 -8.321 -5.558) 10.006 18.010 ( 0.000 -8.321 5.558) 10.006 18.441 ( 0.000 -13.974 -0.178) 13.975 18.441 ( 0.000 -13.974 0.178) 13.975 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 11.044 8.552 -19.482) 23.972 1.406 ( 11.044 8.552 19.482) 23.972 1.513 ( 9.920 14.511 -20.240) 26.807 1.513 ( 9.920 14.511 20.240) 26.807 2.246 ( -7.991 15.191 -4.561) 17.760 2.246 ( -7.991 15.191 4.561) 17.760 2.345 ( -3.089 7.521 -11.069) 13.734 2.345 ( -3.089 7.521 11.069) 13.734 2.469 ( -3.268 9.894 -21.035) 23.475 2.469 ( -3.268 9.894 21.035) 23.475 2.740 ( 3.098 13.395 -4.599) 14.497 2.740 ( 3.098 13.395 4.599) 14.497 2.815 ( -0.234 12.692 -1.939) 12.841 2.815 ( -0.234 12.692 1.939) 12.841 2.922 ( 11.305 3.563 -6.514) 13.525 2.922 ( 11.305 3.563 6.514) 13.525 2.984 ( 6.725 9.384 -3.706) 12.125 2.984 ( 6.725 9.384 3.706) 12.125 3.083 ( 4.022 15.982 -2.258) 16.634 3.083 ( 4.022 15.982 2.258) 16.634 3.365 ( -1.153 17.000 -3.390) 17.373 3.365 ( -1.153 17.000 3.390) 17.373 3.859 ( -9.207 0.462 -10.757) 14.167 3.859 ( -9.207 0.462 10.757) 14.167 4.198 ( -5.870 0.377 -12.813) 14.099 4.198 ( -5.870 0.377 12.813) 14.099 4.491 ( -14.252 -0.839 -15.905) 21.373 4.491 ( -14.252 -0.839 15.905) 21.373 5.154 ( 3.076 -1.371 -4.842) 5.898 5.154 ( 3.076 -1.371 4.842) 5.898 5.360 ( 5.177 -3.390 -8.693) 10.670 5.360 ( 5.177 -3.390 8.693) 10.670 5.703 ( -3.134 -3.489 -0.183) 4.693 5.703 ( -3.134 -3.489 0.183) 4.693 5.944 ( 4.780 -1.774 -0.987) 5.193 5.944 ( 4.780 -1.774 0.987) 5.193 6.385 ( 5.253 -0.760 -6.422) 8.331 6.385 ( 5.253 -0.760 6.422) 8.331 7.117 ( -4.509 -8.727 -5.968) 11.494 7.117 ( -4.509 -8.727 5.968) 11.494 8.356 ( 1.252 5.208 -5.788) 7.886 8.356 ( 1.252 5.208 5.788) 7.886 8.566 ( -1.319 -0.627 -4.823) 5.039 8.566 ( -1.319 -0.627 4.823) 5.039 8.745 ( 0.309 11.215 -4.879) 12.234 8.745 ( 0.309 11.215 4.879) 12.234 8.903 ( 0.766 4.248 -1.952) 4.738 8.903 ( 0.766 4.248 1.952) 4.738 9.504 ( 5.087 14.637 -3.282) 15.840 9.504 ( 5.087 14.637 3.282) 15.840 10.059 ( -4.626 9.643 -2.696) 11.030 10.059 ( -4.626 9.643 2.696) 11.030 10.277 ( 9.323 1.413 -5.901) 11.123 10.277 ( 9.323 1.413 5.901) 11.123 10.673 ( 0.112 -2.444 -4.349) 4.990 10.673 ( 0.112 -2.444 4.349) 4.990 10.830 ( -4.404 4.756 -5.013) 8.194 10.830 ( -4.404 4.756 5.013) 8.194 11.422 ( 7.152 -3.955 -1.700) 8.347 11.422 ( 7.152 -3.955 1.700) 8.347 11.466 ( 6.125 -0.805 -4.935) 7.907 11.466 ( 6.125 -0.805 4.935) 7.907 11.925 ( 0.329 7.382 -3.323) 8.102 11.925 ( 0.329 7.382 3.323) 8.102 12.659 ( -2.225 -14.390 -0.984) 14.594 12.659 ( -2.225 -14.390 0.984) 14.594 12.839 ( -7.871 -2.066 -3.467) 8.846 12.839 ( -7.871 -2.066 3.467) 8.846 12.948 ( -9.123 1.799 -5.432) 10.769 12.948 ( -9.123 1.799 5.432) 10.769 13.386 ( -2.665 8.767 -1.107) 9.230 13.386 ( -2.665 8.767 1.107) 9.230 14.262 ( -2.138 -2.044 -1.442) 3.290 14.262 ( -2.138 -2.044 1.442) 3.290 14.610 ( 2.230 -6.171 -2.876) 7.164 14.610 ( 2.230 -6.171 2.876) 7.164 16.374 ( 4.953 2.056 -2.505) 5.919 16.374 ( 4.953 2.056 2.505) 5.919 16.713 ( 2.885 -2.223 -2.534) 4.437 16.713 ( 2.885 -2.223 2.534) 4.437 17.999 ( -1.152 -8.465 -5.095) 9.947 17.999 ( -1.152 -8.465 5.095) 9.947 18.364 ( -6.042 -11.877 -1.623) 13.425 18.364 ( -6.042 -11.877 1.623) 13.425 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 14.544 8.918 -9.826) 19.688 1.681 ( 14.544 8.918 9.826) 19.688 1.763 ( 12.739 10.016 -12.708) 20.594 1.763 ( 12.739 10.016 12.708) 20.594 2.019 ( -11.786 13.500 -6.467) 19.052 2.019 ( -11.786 13.500 6.467) 19.052 2.117 ( -14.459 6.496 -9.092) 18.273 2.117 ( -14.459 6.496 9.092) 18.273 2.575 ( 6.349 9.252 -9.111) 14.453 2.575 ( 6.349 9.252 9.111) 14.453 2.752 ( -1.143 12.732 -1.064) 12.827 2.752 ( -1.143 12.732 1.064) 12.827 2.844 ( 2.944 16.852 -3.941) 17.556 2.844 ( 2.944 16.852 3.941) 17.556 3.087 ( 2.951 9.887 -6.987) 12.461 3.087 ( 2.951 9.887 6.987) 12.461 3.152 ( 4.411 14.695 -0.481) 15.351 3.152 ( 4.411 14.695 0.481) 15.351 3.200 ( 8.201 4.037 -10.067) 13.598 3.200 ( 8.201 4.037 10.067) 13.598 3.342 ( -0.394 17.133 -2.218) 17.281 3.342 ( -0.394 17.133 2.218) 17.281 3.673 ( -7.280 1.751 -8.181) 11.091 3.673 ( -7.280 1.751 8.181) 11.091 4.016 ( -7.749 0.777 -9.112) 11.987 4.016 ( -7.749 0.777 9.112) 11.987 4.261 ( -7.397 -1.125 -7.182) 10.371 4.261 ( -7.397 -1.125 7.182) 10.371 5.179 ( 0.481 -0.512 -3.957) 4.019 5.179 ( 0.481 -0.512 3.957) 4.019 5.422 ( 0.470 -3.751 -2.035) 4.293 5.422 ( 0.470 -3.751 2.035) 4.293 5.687 ( 0.933 -3.727 -0.959) 3.960 5.687 ( 0.933 -3.727 0.959) 3.960 6.020 ( 2.126 -3.660 -0.234) 4.239 6.020 ( 2.126 -3.660 0.234) 4.239 6.514 ( 5.615 -0.529 -5.021) 7.551 6.514 ( 5.615 -0.529 5.021) 7.551 7.007 ( -4.793 -7.996 -4.841) 10.505 7.007 ( -4.793 -7.996 4.841) 10.505 8.400 ( 3.121 3.061 -3.923) 5.874 8.400 ( 3.121 3.061 3.923) 5.874 8.495 ( -4.585 6.180 -1.165) 7.783 8.495 ( -4.585 6.180 1.165) 7.783 8.761 ( 0.545 10.352 -1.783) 10.518 8.761 ( 0.545 10.352 1.783) 10.518 8.921 ( 0.811 4.475 -1.772) 4.881 8.921 ( 0.811 4.475 1.772) 4.881 9.625 ( 5.301 12.018 -1.741) 13.249 9.625 ( 5.301 12.018 1.741) 13.249 9.949 ( -4.859 9.846 -1.432) 11.072 9.949 ( -4.859 9.846 1.432) 11.072 10.481 ( 8.847 -0.738 -0.817) 8.915 10.481 ( 8.847 -0.738 0.817) 8.915 10.630 ( -4.422 -1.512 -2.732) 5.413 10.630 ( -4.422 -1.512 2.732) 5.413 10.803 ( 0.979 5.268 -0.174) 5.361 10.803 ( 0.979 5.268 0.174) 5.361 11.440 ( -0.033 -5.481 -0.546) 5.509 11.440 ( -0.033 -5.481 0.546) 5.509 11.741 ( 14.088 1.386 -4.088) 14.734 11.741 ( 14.088 1.386 4.088) 14.734 11.914 ( -2.301 1.036 -4.318) 5.001 11.914 ( -2.301 1.036 4.318) 5.001 12.470 ( -16.059 -1.666 -3.014) 16.424 12.470 ( -16.059 -1.666 3.014) 16.424 12.630 ( -2.291 -13.879 -1.623) 14.160 12.630 ( -2.291 -13.879 1.623) 14.160 12.897 ( -0.173 1.729 -0.493) 1.806 12.897 ( -0.173 1.729 0.493) 1.806 13.377 ( 0.553 11.041 -0.435) 11.063 13.377 ( 0.553 11.041 0.435) 11.063 14.221 ( -1.353 -2.117 -0.570) 2.576 14.221 ( -1.353 -2.117 0.570) 2.576 14.643 ( 0.876 -5.240 -1.075) 5.421 14.643 ( 0.876 -5.240 1.075) 5.421 16.480 ( 4.044 -0.237 -1.806) 4.435 16.480 ( 4.044 -0.237 1.806) 4.435 16.748 ( 0.378 -1.846 -1.817) 2.618 16.748 ( 0.378 -1.846 1.817) 2.618 17.969 ( -1.285 -8.727 -2.293) 9.115 17.969 ( -1.285 -8.727 2.293) 9.115 18.266 ( -2.660 -9.306 -1.210) 9.754 18.266 ( -2.660 -9.306 1.210) 9.754 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 14.054 -11.852) 18.384 1.534 ( 0.000 14.054 11.852) 18.384 1.752 ( 0.000 18.176 -14.475) 23.235 1.752 ( 0.000 18.176 14.475) 23.235 2.546 ( 0.000 4.843 -6.555) 8.150 2.546 ( 0.000 4.843 6.555) 8.150 2.640 ( 0.000 7.056 -5.519) 8.958 2.640 ( 0.000 7.056 5.519) 8.958 2.748 ( 0.000 5.934 -2.087) 6.291 2.748 ( 0.000 5.934 2.087) 6.291 2.887 ( 0.000 20.016 -5.840) 20.851 2.887 ( 0.000 20.016 5.840) 20.851 3.025 ( 0.000 28.469 -13.764) 31.622 3.025 ( 0.000 28.469 13.764) 31.622 3.195 ( 0.000 21.768 -2.715) 21.937 3.195 ( 0.000 21.768 2.715) 21.937 3.340 ( 0.000 24.858 -2.408) 24.974 3.340 ( 0.000 24.858 2.408) 24.974 3.438 ( 0.000 22.732 -0.224) 22.733 3.438 ( 0.000 22.732 0.224) 22.733 3.805 ( 0.000 23.592 -6.584) 24.494 3.805 ( 0.000 23.592 6.584) 24.494 3.988 ( 0.000 2.678 -7.505) 7.969 3.988 ( 0.000 2.678 7.505) 7.969 4.266 ( 0.000 4.243 -2.295) 4.824 4.266 ( 0.000 4.243 2.295) 4.824 4.689 ( 0.000 -0.492 -15.909) 15.916 4.689 ( 0.000 -0.492 15.909) 15.916 5.026 ( 0.000 -1.224 -6.154) 6.274 5.026 ( 0.000 -1.224 6.154) 6.274 5.218 ( 0.000 -5.465 -4.254) 6.926 5.218 ( 0.000 -5.465 4.254) 6.926 5.698 ( 0.000 -3.435 -4.773) 5.880 5.698 ( 0.000 -3.435 4.773) 5.880 5.849 ( 0.000 -1.304 -3.111) 3.373 5.849 ( 0.000 -1.304 3.111) 3.373 6.316 ( 0.000 -0.047 -1.659) 1.660 6.316 ( 0.000 -0.047 1.659) 1.660 6.981 ( 0.000 -8.216 -2.576) 8.610 6.981 ( 0.000 -8.216 2.576) 8.610 8.368 ( 0.000 -2.640 -1.661) 3.120 8.368 ( 0.000 -2.640 1.661) 3.120 8.544 ( 0.000 -0.655 -5.449) 5.488 8.544 ( 0.000 -0.655 5.449) 5.488 8.802 ( 0.000 -0.627 -0.182) 0.653 8.802 ( 0.000 -0.627 0.182) 0.653 9.164 ( 0.000 17.403 -2.509) 17.583 9.164 ( 0.000 17.403 2.509) 17.583 9.833 ( 0.000 19.469 -2.899) 19.684 9.833 ( 0.000 19.469 2.899) 19.684 10.236 ( 0.000 5.651 -9.933) 11.428 10.236 ( 0.000 5.651 9.933) 11.428 10.335 ( 0.000 7.239 -0.720) 7.275 10.335 ( 0.000 7.239 0.720) 7.275 10.627 ( 0.000 1.050 -3.820) 3.961 10.627 ( 0.000 1.050 3.820) 3.961 10.977 ( 0.000 -3.417 -5.126) 6.160 10.977 ( 0.000 -3.417 5.126) 6.160 11.278 ( 0.000 7.775 -10.011) 12.676 11.278 ( 0.000 7.775 10.011) 12.676 11.431 ( 0.000 2.335 -3.209) 3.968 11.431 ( 0.000 2.335 3.209) 3.968 12.122 ( 0.000 8.072 -0.199) 8.074 12.122 ( 0.000 8.072 0.199) 8.074 12.438 ( 0.000 -7.935 -1.019) 8.000 12.438 ( 0.000 -7.935 1.019) 8.000 12.892 ( 0.000 1.490 -2.405) 2.830 12.892 ( 0.000 1.490 2.405) 2.830 13.050 ( 0.000 -2.205 -8.870) 9.140 13.050 ( 0.000 -2.205 8.870) 9.140 13.575 ( 0.000 5.134 -3.115) 6.005 13.575 ( 0.000 5.134 3.115) 6.005 14.203 ( 0.000 -6.835 -5.208) 8.593 14.203 ( 0.000 -6.835 5.208) 8.593 14.383 ( 0.000 -11.555 -1.950) 11.719 14.383 ( 0.000 -11.555 1.950) 11.719 16.349 ( 0.000 -1.522 -1.374) 2.050 16.349 ( 0.000 -1.522 1.374) 2.050 16.623 ( 0.000 -2.273 -2.183) 3.151 16.623 ( 0.000 -2.273 2.183) 3.151 17.779 ( 0.000 -14.277 -3.697) 14.748 17.779 ( 0.000 -14.277 3.697) 14.748 18.093 ( 0.000 -19.722 -2.038) 19.827 18.093 ( 0.000 -19.722 2.038) 19.827 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 8.993 12.676 -13.645) 20.681 1.626 ( 8.993 12.676 13.645) 20.681 1.822 ( 6.672 15.906 -17.222) 24.375 1.822 ( 6.672 15.906 17.222) 24.375 2.422 ( -9.540 5.349 -6.762) 12.859 2.422 ( -9.540 5.349 6.762) 12.859 2.591 ( -6.873 11.293 -6.532) 14.746 2.591 ( -6.873 11.293 6.532) 14.746 2.816 ( 4.942 14.159 -5.675) 16.035 2.816 ( 4.942 14.159 5.675) 16.035 2.958 ( 5.888 13.955 -4.487) 15.797 2.958 ( 5.888 13.955 4.487) 15.797 3.055 ( 3.952 19.253 -10.971) 22.509 3.055 ( 3.952 19.253 10.971) 22.509 3.243 ( 4.453 22.304 -3.367) 22.992 3.243 ( 4.453 22.304 3.367) 22.992 3.354 ( 2.235 25.228 -7.087) 26.299 3.354 ( 2.235 25.228 7.087) 26.299 3.487 ( 3.499 22.347 -1.945) 22.703 3.487 ( 3.499 22.347 1.945) 22.703 3.781 ( -2.055 21.159 -5.542) 21.969 3.781 ( -2.055 21.159 5.542) 21.969 3.904 ( -6.443 6.506 -8.640) 12.589 3.904 ( -6.443 6.506 8.640) 12.589 4.240 ( -4.214 4.867 -8.963) 11.036 4.240 ( -4.214 4.867 8.963) 11.036 4.489 ( -13.752 1.876 -14.698) 20.216 4.489 ( -13.752 1.876 14.698) 20.216 5.114 ( 3.395 -2.629 -4.110) 5.944 5.114 ( 3.395 -2.629 4.110) 5.944 5.280 ( 5.717 -4.213 -7.068) 10.019 5.280 ( 5.717 -4.213 7.068) 10.019 5.619 ( -4.767 -4.473 -1.776) 6.774 5.619 ( -4.767 -4.473 1.776) 6.774 5.896 ( 2.651 -2.841 -2.559) 4.653 5.896 ( 2.651 -2.841 2.559) 4.653 6.379 ( 5.872 0.439 -4.544) 7.438 6.379 ( 5.872 0.439 4.544) 7.438 6.941 ( -3.869 -7.987 -5.390) 10.383 6.941 ( -3.869 -7.987 5.390) 10.383 8.384 ( 0.251 -2.140 -2.743) 3.488 8.384 ( 0.251 -2.140 2.743) 3.488 8.533 ( 0.800 -2.266 -4.392) 5.007 8.533 ( 0.800 -2.266 4.392) 5.007 8.871 ( 5.016 2.608 -0.282) 5.661 8.871 ( 5.016 2.608 0.282) 5.661 9.151 ( -1.280 16.191 -2.027) 16.368 9.151 ( -1.280 16.191 2.027) 16.368 9.864 ( 2.833 18.946 -2.218) 19.285 9.864 ( 2.833 18.946 2.218) 19.285 10.215 ( -0.781 4.492 -3.826) 5.952 10.215 ( -0.781 4.492 3.826) 5.952 10.400 ( 4.611 10.678 -5.522) 12.875 10.400 ( 4.611 10.678 5.522) 12.875 10.641 ( 1.128 -0.287 -3.553) 3.738 10.641 ( 1.128 -0.287 3.553) 3.738 10.890 ( -4.603 -0.279 -1.291) 4.789 10.890 ( -4.603 -0.279 1.291) 4.789 11.398 ( -1.396 1.390 -3.716) 4.206 11.398 ( -1.396 1.390 3.716) 4.206 11.461 ( 13.082 3.392 -2.571) 13.757 11.461 ( 13.082 3.392 2.571) 13.757 12.057 ( -5.877 5.135 -1.819) 8.013 12.057 ( -5.877 5.135 1.819) 8.013 12.423 ( -1.676 -7.476 -0.723) 7.696 12.423 ( -1.676 -7.476 0.723) 7.696 12.821 ( -9.889 0.327 -4.964) 11.070 12.821 ( -9.889 0.327 4.964) 11.070 12.978 ( -4.172 1.463 -5.125) 6.769 12.978 ( -4.172 1.463 5.125) 6.769 13.549 ( -0.471 6.722 -1.539) 6.912 13.549 ( -0.471 6.722 1.539) 6.912 14.167 ( -2.633 -7.773 -3.084) 8.767 14.167 ( -2.633 -7.773 3.084) 8.767 14.432 ( 3.143 -11.212 -1.139) 11.700 14.432 ( 3.143 -11.212 1.139) 11.700 16.380 ( 3.026 -1.978 -1.733) 4.009 16.380 ( 3.026 -1.978 1.733) 4.009 16.661 ( 2.770 -2.725 -2.885) 4.840 16.661 ( 2.770 -2.725 2.885) 4.840 17.765 ( -1.437 -14.422 -3.369) 14.879 17.765 ( -1.437 -14.422 3.369) 14.879 18.056 ( -2.878 -18.026 -1.864) 18.349 18.056 ( -2.878 -18.026 1.864) 18.349 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 12.473 9.811 -9.715) 18.607 1.862 ( 12.473 9.811 9.715) 18.607 1.990 ( 7.448 10.699 -15.810) 20.492 1.990 ( 7.448 10.699 15.810) 20.492 2.212 ( -9.294 9.032 -8.161) 15.315 2.212 ( -9.294 9.032 8.161) 15.315 2.386 ( -10.742 14.766 -8.765) 20.255 2.386 ( -10.742 14.766 8.765) 20.255 2.923 ( 4.462 21.707 -3.678) 22.464 2.923 ( 4.462 21.707 3.678) 22.464 3.057 ( 2.711 14.867 -3.632) 15.543 3.057 ( 2.711 14.867 3.632) 15.543 3.113 ( 0.820 11.039 -1.434) 11.162 3.113 ( 0.820 11.039 1.434) 11.162 3.366 ( 5.737 15.857 -2.348) 17.025 3.366 ( 5.737 15.857 2.348) 17.025 3.428 ( 3.323 21.189 -9.227) 23.348 3.428 ( 3.323 21.189 9.227) 23.348 3.522 ( -0.568 16.918 -3.065) 17.202 3.522 ( -0.568 16.918 3.065) 17.202 3.775 ( 2.145 18.819 -4.064) 19.372 3.775 ( 2.145 18.819 4.064) 19.372 3.794 ( -2.493 18.647 -4.113) 19.257 3.794 ( -2.493 18.647 4.113) 19.257 4.096 ( -7.837 9.722 -6.068) 13.883 4.096 ( -7.837 9.722 6.068) 13.883 4.249 ( -8.103 0.998 -8.055) 11.469 4.249 ( -8.103 0.998 8.055) 11.469 5.165 ( 1.987 -0.871 -3.363) 4.002 5.165 ( 1.987 -0.871 3.363) 4.002 5.334 ( -0.699 -4.677 -2.360) 5.285 5.334 ( -0.699 -4.677 2.360) 5.285 5.586 ( 0.923 -6.007 -1.185) 6.192 5.586 ( 0.923 -6.007 1.185) 6.192 5.929 ( 0.650 -5.093 -1.398) 5.321 5.929 ( 0.650 -5.093 1.398) 5.321 6.518 ( 6.135 1.103 -4.400) 7.630 6.518 ( 6.135 1.103 4.400) 7.630 6.840 ( -4.875 -7.875 -5.014) 10.532 6.840 ( -4.875 -7.875 5.014) 10.532 8.368 ( -0.897 -3.291 -1.127) 3.592 8.368 ( -0.897 -3.291 1.127) 3.592 8.577 ( 2.032 -0.561 -1.794) 2.768 8.577 ( 2.032 -0.561 1.794) 2.768 8.950 ( 2.117 6.750 -0.521) 7.093 8.950 ( 2.117 6.750 0.521) 7.093 9.122 ( -1.119 13.192 -0.803) 13.264 9.122 ( -1.119 13.192 0.803) 13.264 9.932 ( 3.013 16.972 -1.282) 17.285 9.932 ( 3.013 16.972 1.282) 17.285 10.190 ( -1.716 12.225 -0.974) 12.383 10.190 ( -1.716 12.225 0.974) 12.383 10.502 ( 5.305 4.352 -3.485) 7.696 10.502 ( 5.305 4.352 3.485) 7.696 10.615 ( -4.166 0.084 -1.575) 4.455 10.615 ( -4.166 0.084 1.575) 4.455 10.891 ( 3.463 2.561 -1.103) 4.446 10.891 ( 3.463 2.561 1.103) 4.446 11.358 ( -1.408 -2.032 -1.358) 2.820 11.358 ( -1.408 -2.032 1.358) 2.820 11.754 ( 12.864 0.930 -2.985) 13.239 11.754 ( 12.864 0.930 2.985) 13.239 11.920 ( -6.167 -0.545 -1.541) 6.380 11.920 ( -6.167 -0.545 1.541) 6.380 12.383 ( -1.687 -4.058 -3.043) 5.346 12.383 ( -1.687 -4.058 3.043) 5.346 12.518 ( -13.767 1.570 -4.557) 14.586 12.518 ( -13.767 1.570 4.557) 14.586 12.953 ( 0.122 3.821 -1.453) 4.090 12.953 ( 0.122 3.821 1.453) 4.090 13.568 ( 1.232 7.823 -0.150) 7.920 13.568 ( 1.232 7.823 0.150) 7.920 14.122 ( -1.408 -8.251 -0.895) 8.418 14.122 ( -1.408 -8.251 0.895) 8.418 14.475 ( 1.031 -11.487 -0.474) 11.543 14.475 ( 1.031 -11.487 0.474) 11.543 16.450 ( 2.761 -3.108 -1.046) 4.287 16.450 ( 2.761 -3.108 1.046) 4.287 16.700 ( 0.785 -2.800 -1.653) 3.345 16.700 ( 0.785 -2.800 1.653) 3.345 17.730 ( -1.386 -14.586 -1.497) 14.729 17.730 ( -1.386 -14.586 1.497) 14.729 18.010 ( -1.231 -15.710 -0.717) 15.775 18.010 ( -1.231 -15.710 0.717) 15.775 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.000 14.450 -4.617) 15.169 1.823 ( 0.000 14.450 4.617) 15.169 2.123 ( 0.000 18.503 -7.183) 19.849 2.123 ( 0.000 18.503 7.183) 19.849 2.647 ( 0.000 4.865 -1.692) 5.151 2.647 ( 0.000 4.865 1.692) 5.151 2.697 ( 0.000 1.950 -5.324) 5.670 2.697 ( 0.000 1.950 5.324) 5.670 2.826 ( 0.000 4.833 -5.775) 7.530 2.826 ( 0.000 4.833 5.775) 7.530 3.374 ( 0.000 18.227 -5.125) 18.934 3.374 ( 0.000 18.227 5.125) 18.934 3.540 ( 0.000 20.055 -2.048) 20.159 3.540 ( 0.000 20.055 2.048) 20.159 3.618 ( 0.000 18.721 -1.876) 18.815 3.618 ( 0.000 18.721 1.876) 18.815 3.833 ( 0.000 23.658 -3.443) 23.907 3.833 ( 0.000 23.658 3.443) 23.907 3.925 ( 0.000 25.420 -0.128) 25.421 3.925 ( 0.000 25.420 0.128) 25.421 4.089 ( 0.000 10.468 -1.288) 10.547 4.089 ( 0.000 10.468 1.288) 10.547 4.249 ( 0.000 16.211 -7.028) 17.669 4.249 ( 0.000 16.211 7.028) 17.669 4.462 ( 0.000 16.025 -4.680) 16.695 4.462 ( 0.000 16.025 4.680) 16.695 4.751 ( 0.000 9.443 -10.213) 13.910 4.751 ( 0.000 9.443 10.213) 13.910 5.024 ( 0.000 1.707 -2.698) 3.193 5.024 ( 0.000 1.707 2.698) 3.193 5.107 ( 0.000 -4.859 -0.153) 4.861 5.107 ( 0.000 -4.859 0.153) 4.861 5.635 ( 0.000 -2.088 -4.449) 4.915 5.635 ( 0.000 -2.088 4.449) 4.915 5.826 ( 0.000 -0.827 -5.222) 5.287 5.826 ( 0.000 -0.827 5.222) 5.287 6.334 ( 0.000 1.696 -0.167) 1.704 6.334 ( 0.000 1.696 0.167) 1.704 6.854 ( 0.000 -4.155 -0.392) 4.173 6.854 ( 0.000 -4.155 0.392) 4.173 8.291 ( 0.000 -3.985 -4.121) 5.733 8.291 ( 0.000 -3.985 4.121) 5.733 8.502 ( 0.000 -3.943 -5.882) 7.081 8.502 ( 0.000 -3.943 5.882) 7.081 8.818 ( 0.000 2.477 -1.168) 2.739 8.818 ( 0.000 2.477 1.168) 2.739 9.444 ( 0.000 9.687 -0.435) 9.697 9.444 ( 0.000 9.687 0.435) 9.697 10.110 ( 0.000 5.491 -0.859) 5.558 10.110 ( 0.000 5.491 0.859) 5.558 10.360 ( 0.000 5.406 -10.887) 12.155 10.360 ( 0.000 5.406 10.887) 12.155 10.397 ( 0.000 2.041 -5.162) 5.551 10.397 ( 0.000 2.041 5.162) 5.551 10.729 ( 0.000 7.265 -1.951) 7.522 10.729 ( 0.000 7.265 1.951) 7.522 10.831 ( 0.000 -6.835 -1.864) 7.085 10.831 ( 0.000 -6.835 1.864) 7.085 11.510 ( 0.000 13.589 -0.314) 13.593 11.510 ( 0.000 13.589 0.314) 13.593 11.615 ( 0.000 14.755 -3.050) 15.067 11.615 ( 0.000 14.755 3.050) 15.067 12.239 ( 0.000 3.937 -2.471) 4.648 12.239 ( 0.000 3.937 2.471) 4.648 12.378 ( 0.000 1.094 -0.212) 1.115 12.378 ( 0.000 1.094 0.212) 1.115 12.927 ( 0.000 -1.244 -6.080) 6.206 12.927 ( 0.000 -1.244 6.080) 6.206 12.988 ( 0.000 -1.190 -0.217) 1.209 12.988 ( 0.000 -1.190 0.217) 1.209 13.621 ( 0.000 -1.079 -1.536) 1.877 13.621 ( 0.000 -1.079 1.536) 1.877 14.036 ( 0.000 -8.536 -7.504) 11.365 14.036 ( 0.000 -8.536 7.504) 11.365 14.137 ( 0.000 -12.832 -1.016) 12.872 14.137 ( 0.000 -12.832 1.016) 12.872 16.273 ( 0.000 -5.315 -2.234) 5.766 16.273 ( 0.000 -5.315 2.234) 5.766 16.584 ( 0.000 -1.667 -3.995) 4.329 16.584 ( 0.000 -1.667 3.995) 4.329 17.468 ( 0.000 -15.977 -1.681) 16.066 17.468 ( 0.000 -15.977 1.681) 16.066 17.680 ( 0.000 -21.067 -1.948) 21.157 17.680 ( 0.000 -21.067 1.948) 21.157 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 6.445 13.141 -6.589) 16.051 1.888 ( 6.445 13.141 6.589) 16.051 2.145 ( 2.350 16.017 -10.315) 19.196 2.145 ( 2.350 16.017 10.315) 19.196 2.547 ( -6.597 7.030 -4.190) 10.512 2.547 ( -6.597 7.030 4.190) 10.512 2.726 ( -1.360 4.383 -5.993) 7.548 2.726 ( -1.360 4.383 5.993) 7.548 2.922 ( 8.518 3.536 -6.541) 11.307 2.922 ( 8.518 3.536 6.541) 11.307 3.335 ( -1.406 13.409 -3.752) 13.995 3.335 ( -1.406 13.409 3.752) 13.995 3.518 ( -1.420 22.623 -1.521) 22.718 3.518 ( -1.420 22.623 1.521) 22.718 3.644 ( 0.447 15.100 -3.405) 15.485 3.644 ( 0.447 15.100 3.405) 15.485 3.835 ( -0.495 20.094 -1.764) 20.178 3.835 ( -0.495 20.094 1.764) 20.178 3.929 ( -0.444 22.934 -2.890) 23.120 3.929 ( -0.444 22.934 2.890) 23.120 4.076 ( 0.405 15.704 -5.261) 16.567 4.076 ( 0.405 15.704 5.261) 16.567 4.240 ( -0.233 17.630 -5.916) 18.598 4.240 ( -0.233 17.630 5.916) 18.598 4.419 ( -4.121 14.707 -7.370) 16.959 4.419 ( -4.121 14.707 7.370) 16.959 4.670 ( -5.713 17.837 -7.920) 20.335 4.670 ( -5.713 17.837 7.920) 20.335 5.060 ( 2.853 -2.220 -1.561) 3.937 5.060 ( 2.853 -2.220 1.561) 3.937 5.205 ( 6.887 -2.579 -4.258) 8.498 5.205 ( 6.887 -2.579 4.258) 8.498 5.545 ( -6.525 -2.146 -3.446) 7.685 5.545 ( -6.525 -2.146 3.446) 7.685 5.839 ( 0.329 -2.410 -4.371) 5.002 5.839 ( 0.329 -2.410 4.371) 5.002 6.402 ( 6.104 1.563 -2.495) 6.777 6.402 ( 6.104 1.563 2.495) 6.777 6.818 ( -3.510 -3.929 -3.898) 6.554 6.818 ( -3.510 -3.929 3.898) 6.554 8.314 ( 0.774 -4.017 -3.386) 5.310 8.314 ( 0.774 -4.017 3.386) 5.310 8.473 ( -0.209 -3.742 -4.624) 5.952 8.473 ( -0.209 -3.742 4.624) 5.952 8.917 ( 7.389 2.402 -1.901) 7.998 8.917 ( 7.389 2.402 1.901) 7.998 9.403 ( -3.820 8.189 -0.648) 9.060 9.403 ( -3.820 8.189 0.648) 9.060 10.135 ( 2.915 5.673 -0.901) 6.441 10.135 ( 2.915 5.673 0.901) 6.441 10.326 ( 0.621 7.153 -7.666) 10.503 10.326 ( 0.621 7.153 7.666) 10.503 10.538 ( 7.944 1.769 -3.167) 8.733 10.538 ( 7.944 1.769 3.167) 8.733 10.724 ( -0.099 7.867 -4.355) 8.992 10.724 ( -0.099 7.867 4.355) 8.992 10.817 ( -0.467 -3.593 -3.702) 5.180 10.817 ( -0.467 -3.593 3.702) 5.180 11.473 ( -5.620 6.997 -2.870) 9.422 11.473 ( -5.620 6.997 2.870) 9.422 11.666 ( 7.323 14.580 -4.457) 16.913 11.666 ( 7.323 14.580 4.457) 16.913 12.125 ( -10.408 1.761 -1.860) 10.719 12.125 ( -10.408 1.761 1.860) 10.719 12.369 ( -0.451 1.520 -1.356) 2.086 12.369 ( -0.451 1.520 1.356) 2.086 12.835 ( -8.163 0.136 -7.510) 11.093 12.835 ( -8.163 0.136 7.510) 11.093 13.025 ( 1.444 3.837 -5.229) 6.644 13.025 ( 1.444 3.837 5.229) 6.644 13.615 ( 1.059 -1.287 -1.884) 2.516 13.615 ( 1.059 -1.287 1.884) 2.516 13.979 ( -3.985 -9.304 -4.690) 11.155 13.979 ( -3.985 -9.304 4.690) 11.155 14.179 ( 2.173 -13.623 -1.056) 13.835 14.179 ( 2.173 -13.623 1.056) 13.835 16.301 ( 2.616 -5.315 -1.982) 6.247 16.301 ( 2.616 -5.315 1.982) 6.247 16.609 ( 2.011 -2.332 -3.777) 4.873 16.609 ( 2.011 -2.332 3.777) 4.873 17.452 ( -1.613 -16.049 -1.745) 16.224 17.452 ( -1.613 -16.049 1.745) 16.224 17.671 ( -0.661 -19.995 -1.298) 20.048 17.671 ( -0.661 -19.995 1.298) 20.048 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 9.589 9.982 -5.614) 14.937 2.063 ( 9.589 9.982 5.614) 14.937 2.191 ( -0.178 9.727 -10.167) 14.072 2.191 ( -0.178 9.727 10.167) 14.072 2.427 ( -3.623 12.148 -5.185) 13.696 2.427 ( -3.623 12.148 5.185) 13.696 2.624 ( -6.318 9.331 -7.406) 13.484 2.624 ( -6.318 9.331 7.406) 13.484 3.101 ( 7.061 2.156 -5.507) 9.211 3.101 ( 7.061 2.156 5.507) 9.211 3.356 ( 1.311 8.097 -3.013) 8.739 3.356 ( 1.311 8.097 3.013) 8.739 3.478 ( -1.457 21.141 -2.548) 21.344 3.478 ( -1.457 21.141 2.548) 21.344 3.629 ( -1.112 9.783 -3.952) 10.609 3.629 ( -1.112 9.783 3.952) 10.609 3.821 ( 0.271 19.039 -1.585) 19.107 3.821 ( 0.271 19.039 1.585) 19.107 3.876 ( -4.295 17.826 -1.477) 18.395 3.876 ( -4.295 17.826 1.477) 18.395 4.109 ( 1.863 18.458 -1.958) 18.655 4.109 ( 1.863 18.458 1.958) 18.655 4.276 ( 1.635 14.473 -4.777) 15.328 4.276 ( 1.635 14.473 4.777) 15.328 4.365 ( 2.155 25.213 -6.288) 26.074 4.365 ( 2.155 25.213 6.288) 26.074 4.527 ( -8.272 25.991 -7.144) 28.195 4.527 ( -8.272 25.991 7.144) 28.195 5.145 ( 5.190 -0.948 -1.735) 5.553 5.145 ( 5.190 -0.948 1.735) 5.553 5.256 ( -3.003 -2.280 -2.116) 4.324 5.256 ( -3.003 -2.280 2.116) 4.324 5.471 ( 0.080 -4.333 -1.966) 4.759 5.471 ( 0.080 -4.333 1.966) 4.759 5.832 ( -0.587 -4.050 -2.242) 4.666 5.832 ( -0.587 -4.050 2.242) 4.666 6.550 ( 7.710 1.313 -4.189) 8.872 6.550 ( 7.710 1.313 4.189) 8.872 6.715 ( -6.326 -3.755 -5.111) 8.958 6.715 ( -6.326 -3.755 5.111) 8.958 8.299 ( -1.051 -3.458 -0.837) 3.710 8.299 ( -1.051 -3.458 0.837) 3.710 8.517 ( 2.544 -4.393 -1.605) 5.324 8.517 ( 2.544 -4.393 1.605) 5.324 9.038 ( 3.491 2.871 -1.482) 4.757 9.038 ( 3.491 2.871 1.482) 4.757 9.322 ( -2.984 6.163 -0.712) 6.884 9.322 ( -2.984 6.163 0.712) 6.884 10.209 ( 2.982 8.848 -1.958) 9.540 10.209 ( 2.982 8.848 1.958) 9.540 10.377 ( 3.137 5.634 -4.696) 7.977 10.377 ( 3.137 5.634 4.696) 7.977 10.607 ( 0.092 1.975 -1.882) 2.729 10.607 ( 0.092 1.975 1.882) 2.729 10.700 ( -2.843 10.914 -2.001) 11.454 10.700 ( -2.843 10.914 2.001) 11.454 10.904 ( 7.217 0.406 -0.709) 7.263 10.904 ( 7.217 0.406 0.709) 7.263 11.350 ( -4.526 0.584 -1.401) 4.773 11.350 ( -4.526 0.584 1.401) 4.773 11.837 ( 5.083 6.388 -1.994) 8.404 11.837 ( 5.083 6.388 1.994) 8.404 11.900 ( -7.064 -0.142 -0.564) 7.087 11.900 ( -7.064 -0.142 0.564) 7.087 12.394 ( 3.737 4.509 -3.191) 6.669 12.394 ( 3.737 4.509 3.191) 6.669 12.604 ( -12.227 6.466 -3.647) 14.304 12.604 ( -12.227 6.466 3.647) 14.304 13.049 ( 0.872 5.826 -1.637) 6.114 13.049 ( 0.872 5.826 1.637) 6.114 13.674 ( 3.245 1.639 -0.858) 3.736 13.674 ( 3.245 1.639 0.858) 3.736 13.902 ( -3.047 -12.599 -1.853) 13.094 13.902 ( -3.047 -12.599 1.853) 13.094 14.202 ( 0.370 -14.921 -0.480) 14.934 14.202 ( 0.370 -14.921 0.480) 14.934 16.357 ( 2.035 -5.857 -0.909) 6.266 16.357 ( 2.035 -5.857 0.909) 6.266 16.642 ( 0.899 -2.809 -1.807) 3.459 16.642 ( 0.899 -2.809 1.807) 3.459 17.415 ( -1.392 -16.113 -0.898) 16.198 17.415 ( -1.392 -16.113 0.898) 16.198 17.663 ( -0.122 -18.405 -0.304) 18.408 17.663 ( -0.122 -18.405 0.304) 18.408 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 0.000 13.131 -1.963) 13.277 2.100 ( 0.000 13.131 1.963) 13.277 2.462 ( 0.000 14.204 -4.293) 14.838 2.462 ( 0.000 14.204 4.293) 14.838 2.731 ( 0.000 1.449 -1.343) 1.975 2.731 ( 0.000 1.449 1.343) 1.975 2.741 ( 0.000 5.493 -1.231) 5.629 2.741 ( 0.000 5.493 1.231) 5.629 2.973 ( 0.000 9.516 -4.296) 10.441 2.973 ( 0.000 9.516 4.296) 10.441 3.517 ( 0.000 0.069 -5.356) 5.356 3.517 ( 0.000 0.069 5.356) 5.356 3.784 ( 0.000 4.674 -6.080) 7.669 3.784 ( 0.000 4.674 6.080) 7.669 3.941 ( 0.000 11.992 -4.367) 12.762 3.941 ( 0.000 11.992 4.367) 12.762 4.155 ( 0.000 7.168 -9.630) 12.005 4.155 ( 0.000 7.168 9.630) 12.005 4.325 ( 0.000 4.432 -11.490) 12.316 4.325 ( 0.000 4.432 11.490) 12.316 4.344 ( 0.000 17.030 -5.936) 18.035 4.344 ( 0.000 17.030 5.936) 18.035 4.587 ( 0.000 23.615 -9.191) 25.340 4.587 ( 0.000 23.615 9.191) 25.340 4.838 ( 0.000 15.856 -7.935) 17.730 4.838 ( 0.000 15.856 7.935) 17.730 5.006 ( 0.000 4.656 -0.486) 4.681 5.006 ( 0.000 4.656 0.486) 4.681 5.057 ( 0.000 12.103 -3.009) 12.471 5.057 ( 0.000 12.103 3.009) 12.471 5.201 ( 0.000 15.490 -1.284) 15.543 5.201 ( 0.000 15.490 1.284) 15.543 5.670 ( 0.000 6.999 -2.593) 7.464 5.670 ( 0.000 6.999 2.593) 7.464 5.843 ( 0.000 3.752 -4.411) 5.791 5.843 ( 0.000 3.752 4.411) 5.791 6.374 ( 0.000 2.260 -0.246) 2.273 6.374 ( 0.000 2.260 0.246) 2.273 6.820 ( 0.000 0.511 -3.059) 3.101 6.820 ( 0.000 0.511 3.059) 3.101 8.234 ( 0.000 -1.380 -4.342) 4.556 8.234 ( 0.000 -1.380 4.342) 4.556 8.396 ( 0.000 -6.051 -6.845) 9.136 8.396 ( 0.000 -6.051 6.845) 9.136 8.897 ( 0.000 5.180 -1.537) 5.403 8.897 ( 0.000 5.180 1.537) 5.403 9.558 ( 0.000 2.332 -0.241) 2.345 9.558 ( 0.000 2.332 0.241) 2.345 10.108 ( 0.000 -1.988 -2.169) 2.942 10.108 ( 0.000 -1.988 2.169) 2.942 10.383 ( 0.000 -3.250 -6.159) 6.964 10.383 ( 0.000 -3.250 6.159) 6.964 10.433 ( 0.000 -0.663 -11.474) 11.493 10.433 ( 0.000 -0.663 11.474) 11.493 10.715 ( 0.000 1.499 -1.712) 2.276 10.715 ( 0.000 1.499 1.712) 2.276 10.985 ( 0.000 12.419 -3.170) 12.817 10.985 ( 0.000 12.419 3.170) 12.817 11.753 ( 0.000 9.316 -3.666) 10.011 11.753 ( 0.000 9.316 3.666) 10.011 11.931 ( 0.000 14.656 -2.394) 14.850 11.931 ( 0.000 14.656 2.394) 14.850 12.293 ( 0.000 1.855 -4.192) 4.584 12.293 ( 0.000 1.855 4.192) 4.584 12.436 ( 0.000 3.519 -2.158) 4.128 12.436 ( 0.000 3.519 2.158) 4.128 12.747 ( 0.000 -12.961 -6.696) 14.588 12.747 ( 0.000 -12.961 6.696) 14.588 13.076 ( 0.000 6.105 -0.675) 6.142 13.076 ( 0.000 6.105 0.675) 6.142 13.548 ( 0.000 -5.313 -2.975) 6.089 13.548 ( 0.000 -5.313 2.975) 6.089 13.825 ( 0.000 -12.963 -5.753) 14.182 13.825 ( 0.000 -12.963 5.753) 14.182 13.956 ( 0.000 -4.195 -0.868) 4.284 13.956 ( 0.000 -4.195 0.868) 4.284 16.165 ( 0.000 -4.838 -3.726) 6.106 16.165 ( 0.000 -4.838 3.726) 6.106 16.558 ( 0.000 -1.039 -4.957) 5.065 16.558 ( 0.000 -1.039 4.957) 5.065 17.171 ( 0.000 -13.125 -0.293) 13.128 17.171 ( 0.000 -13.125 0.293) 13.128 17.268 ( 0.000 -19.764 -2.227) 19.889 17.268 ( 0.000 -19.764 2.227) 19.889 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 4.037 12.002 -2.888) 12.988 2.141 ( 4.037 12.002 2.888) 12.988 2.433 ( -2.028 11.941 -6.262) 13.635 2.433 ( -2.028 11.941 6.262) 13.635 2.685 ( -2.032 6.060 -1.511) 6.568 2.685 ( -2.032 6.060 1.511) 6.568 2.808 ( 1.867 4.572 -5.637) 7.495 2.808 ( 1.867 4.572 5.637) 7.495 3.025 ( 5.408 7.218 -4.847) 10.240 3.025 ( 5.408 7.218 4.847) 10.240 3.458 ( -3.530 1.226 -6.199) 7.238 3.458 ( -3.530 1.226 6.199) 7.238 3.741 ( -4.111 3.194 -3.721) 6.399 3.741 ( -4.111 3.194 3.721) 6.399 3.925 ( -2.690 9.387 -3.499) 10.373 3.925 ( -2.690 9.387 3.499) 10.373 4.150 ( -0.678 9.466 -7.323) 11.987 4.150 ( -0.678 9.466 7.323) 11.987 4.307 ( -1.441 14.567 -7.467) 16.433 4.307 ( -1.441 14.567 7.467) 16.433 4.350 ( 1.543 9.962 -3.734) 10.750 4.350 ( 1.543 9.962 3.734) 10.750 4.608 ( 0.853 20.744 -8.833) 22.563 4.608 ( 0.853 20.744 8.833) 22.563 4.832 ( 0.625 19.253 -5.206) 19.954 4.832 ( 0.625 19.253 5.206) 19.954 5.024 ( -0.979 7.188 -2.802) 7.777 5.024 ( -0.979 7.188 2.802) 7.777 5.068 ( 4.330 11.161 -2.147) 12.163 5.068 ( 4.330 11.161 2.147) 12.163 5.264 ( 3.870 11.075 -3.624) 12.279 5.264 ( 3.870 11.075 3.624) 12.279 5.594 ( -5.932 8.927 -3.815) 11.377 5.594 ( -5.932 8.927 3.815) 11.377 5.835 ( -1.070 3.355 -4.131) 5.428 5.835 ( -1.070 3.355 4.131) 5.428 6.431 ( 4.997 1.441 -0.177) 5.204 6.431 ( 4.997 1.441 0.177) 5.204 6.791 ( -2.785 0.895 -3.249) 4.372 6.791 ( -2.785 0.895 3.249) 4.372 8.246 ( 0.245 -2.468 -3.176) 4.030 8.246 ( 0.245 -2.468 3.176) 4.030 8.389 ( 0.677 -4.272 -5.178) 6.747 8.389 ( 0.677 -4.272 5.178) 6.747 8.978 ( 6.497 3.853 -3.050) 8.146 8.978 ( 6.497 3.853 3.050) 8.146 9.501 ( -4.918 2.676 -1.629) 5.831 9.501 ( -4.918 2.676 1.629) 5.831 10.156 ( 4.888 -1.268 -3.547) 6.171 10.156 ( 4.888 -1.268 3.547) 6.171 10.395 ( 0.762 -1.324 -5.349) 5.562 10.395 ( 0.762 -1.324 5.349) 5.562 10.521 ( 7.023 -3.431 -10.285) 12.919 10.521 ( 7.023 -3.431 10.285) 12.919 10.746 ( 4.027 3.014 -2.204) 5.491 10.746 ( 4.027 3.014 2.204) 5.491 10.991 ( 0.292 12.136 -3.457) 12.622 10.991 ( 0.292 12.136 3.457) 12.622 11.609 ( -12.736 4.648 -2.619) 13.809 11.609 ( -12.736 4.648 2.619) 13.809 11.958 ( 3.019 12.663 -2.386) 13.235 11.958 ( 3.019 12.663 2.386) 13.235 12.141 ( -13.376 0.419 -3.234) 13.768 12.141 ( -13.376 0.419 3.234) 13.768 12.453 ( 2.158 5.967 -4.466) 7.759 12.453 ( 2.158 5.967 4.466) 7.759 12.789 ( 1.888 -5.194 -6.352) 8.420 12.789 ( 1.888 -5.194 6.352) 8.420 13.137 ( 4.099 6.682 -1.364) 7.957 13.137 ( 4.099 6.682 1.364) 7.957 13.499 ( -2.434 -8.004 -0.652) 8.392 13.499 ( -2.434 -8.004 0.652) 8.392 13.793 ( -3.374 -11.834 -3.926) 12.916 13.793 ( -3.374 -11.834 3.926) 12.916 13.958 ( 0.076 -5.950 -0.938) 6.024 13.958 ( 0.076 -5.950 0.938) 6.024 16.192 ( 2.273 -5.055 -3.094) 6.347 16.192 ( 2.273 -5.055 3.094) 6.347 16.569 ( 0.981 -1.839 -4.416) 4.883 16.569 ( 0.981 -1.839 4.416) 4.883 17.153 ( -1.755 -13.239 -0.723) 13.375 17.153 ( -1.755 -13.239 0.723) 13.375 17.278 ( 1.063 -18.670 -1.092) 18.732 17.278 ( 1.063 -18.670 1.092) 18.732 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 6.527 9.007 -2.600) 11.423 2.254 ( 6.527 9.007 2.600) 11.423 2.377 ( -4.253 8.643 -4.253) 10.529 2.377 ( -4.253 8.643 4.253) 10.529 2.667 ( 0.650 10.741 -2.596) 11.069 2.667 ( 0.650 10.741 2.596) 11.069 2.779 ( -3.265 6.579 -5.688) 9.290 2.779 ( -3.265 6.579 5.688) 9.290 3.148 ( 4.689 3.382 -3.338) 6.676 3.148 ( 4.689 3.382 3.338) 6.676 3.427 ( -0.347 1.338 -2.207) 2.604 3.427 ( -0.347 1.338 2.207) 2.604 3.686 ( 1.100 3.251 -3.236) 4.717 3.686 ( 1.100 3.251 3.236) 4.717 3.810 ( -7.584 4.943 -4.447) 10.086 3.810 ( -7.584 4.943 4.447) 10.086 4.136 ( -0.303 13.307 -2.710) 13.584 4.136 ( -0.303 13.307 2.710) 13.584 4.279 ( -1.003 20.975 -2.929) 21.202 4.279 ( -1.003 20.975 2.929) 21.202 4.414 ( 3.519 8.028 -5.025) 10.104 4.414 ( 3.519 8.028 5.025) 10.104 4.581 ( -2.601 15.447 -5.673) 16.660 4.581 ( -2.601 15.447 5.673) 16.660 4.898 ( 5.261 21.445 -4.734) 22.582 4.898 ( 5.261 21.445 4.734) 22.582 4.993 ( -2.927 17.671 -3.942) 18.340 4.993 ( -2.927 17.671 3.942) 18.340 5.170 ( 5.300 5.835 -3.431) 8.597 5.170 ( 5.300 5.835 3.431) 8.597 5.277 ( -3.308 4.855 -3.958) 7.084 5.277 ( -3.308 4.855 3.958) 7.084 5.511 ( -1.214 11.883 -2.320) 12.168 5.511 ( -1.214 11.883 2.320) 12.168 5.807 ( -1.122 3.257 -1.957) 3.963 5.807 ( -1.122 3.257 1.957) 3.963 6.543 ( 4.922 -1.128 -0.961) 5.140 6.543 ( 4.922 -1.128 0.961) 5.140 6.717 ( -3.827 2.834 -2.335) 5.304 6.717 ( -3.827 2.834 2.335) 5.304 8.234 ( -0.716 -2.885 -0.739) 3.063 8.234 ( -0.716 -2.885 0.739) 3.063 8.430 ( 2.003 -3.818 -1.711) 4.638 8.430 ( 2.003 -3.818 1.711) 4.638 9.093 ( 3.697 3.254 -3.147) 5.845 9.093 ( 3.697 3.254 3.147) 5.845 9.402 ( -3.613 2.913 -2.379) 5.215 9.402 ( -3.613 2.913 2.379) 5.215 10.288 ( 6.994 -0.591 -5.812) 9.113 10.288 ( 6.994 -0.591 5.812) 9.113 10.389 ( -2.269 -2.134 -6.173) 6.914 10.389 ( -2.269 -2.134 6.173) 6.914 10.637 ( 4.202 0.088 -3.829) 5.686 10.637 ( 4.202 0.088 3.829) 5.686 10.876 ( 4.097 4.965 -5.968) 8.778 10.876 ( 4.097 4.965 5.968) 8.778 11.001 ( 2.646 9.097 -3.587) 10.131 11.001 ( 2.646 9.097 3.587) 10.131 11.356 ( -9.178 -0.350 -1.547) 9.314 11.356 ( -9.178 -0.350 1.547) 9.314 11.851 ( -10.804 -0.667 -1.782) 10.971 11.851 ( -10.804 -0.667 1.782) 10.971 12.032 ( 2.384 7.989 -0.850) 8.380 12.032 ( 2.384 7.989 0.850) 8.380 12.531 ( 5.007 8.161 -4.197) 10.454 12.531 ( 5.007 8.161 4.197) 10.454 12.748 ( -5.164 6.792 -3.122) 9.086 12.748 ( -5.164 6.792 3.122) 9.086 13.184 ( 0.810 7.468 -1.299) 7.623 13.184 ( 0.810 7.468 1.299) 7.623 13.535 ( 5.302 -13.490 -2.393) 14.691 13.535 ( 5.302 -13.490 2.393) 14.691 13.692 ( -5.978 -10.909 -2.356) 12.661 13.692 ( -5.978 -10.909 2.356) 12.661 13.956 ( -0.106 -7.209 -0.468) 7.225 13.956 ( -0.106 -7.209 0.468) 7.225 16.236 ( 1.466 -5.715 -1.255) 6.032 16.236 ( 1.466 -5.715 1.255) 6.032 16.588 ( 0.682 -2.723 -1.959) 3.423 16.588 ( 0.682 -2.723 1.959) 3.423 17.115 ( -1.394 -13.307 -0.554) 13.391 17.115 ( -1.394 -13.307 0.554) 13.391 17.301 ( 0.779 -17.132 -0.157) 17.150 17.301 ( 0.779 -17.132 0.157) 17.150 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 0.000 11.459 -1.287) 11.531 2.345 ( 0.000 11.459 1.287) 11.531 2.645 ( 0.000 4.807 -1.109) 4.933 2.645 ( 0.000 4.807 1.109) 4.933 2.751 ( 0.000 0.726 -1.882) 2.017 2.751 ( 0.000 0.726 1.882) 2.017 2.908 ( 0.000 9.856 -1.780) 10.016 2.908 ( 0.000 9.856 1.780) 10.016 3.183 ( 0.000 11.020 -5.193) 12.182 3.183 ( 0.000 11.020 5.193) 12.182 3.481 ( 0.000 -2.257 -4.101) 4.681 3.481 ( 0.000 -2.257 4.101) 4.681 3.814 ( 0.000 -0.471 -4.874) 4.897 3.814 ( 0.000 -0.471 4.874) 4.897 4.030 ( 0.000 -1.743 -2.635) 3.160 4.030 ( 0.000 -1.743 2.635) 3.160 4.184 ( 0.000 -3.035 -9.103) 9.596 4.184 ( 0.000 -3.035 9.103) 9.596 4.352 ( 0.000 -0.036 -3.860) 3.860 4.352 ( 0.000 -0.036 3.860) 3.860 4.565 ( 0.000 3.797 -3.816) 5.383 4.565 ( 0.000 3.797 3.816) 5.383 4.944 ( 0.000 11.109 -7.303) 13.295 4.944 ( 0.000 11.109 7.303) 13.295 4.969 ( 0.000 -1.446 -0.920) 1.713 4.969 ( 0.000 -1.446 0.920) 1.713 5.169 ( 0.000 17.693 -1.731) 17.777 5.169 ( 0.000 17.693 1.731) 17.777 5.466 ( 0.000 19.092 -3.875) 19.481 5.466 ( 0.000 19.092 3.875) 19.481 5.559 ( 0.000 19.986 -7.226) 21.252 5.559 ( 0.000 19.986 7.226) 21.252 5.906 ( 0.000 14.668 -2.178) 14.829 5.906 ( 0.000 14.668 2.178) 14.829 6.007 ( 0.000 11.851 -1.322) 11.925 6.007 ( 0.000 11.851 1.322) 11.925 6.436 ( 0.000 4.368 -0.533) 4.401 6.436 ( 0.000 4.368 0.533) 4.401 6.846 ( 0.000 1.221 -4.082) 4.260 6.846 ( 0.000 1.221 4.082) 4.260 8.233 ( 0.000 0.401 -3.899) 3.920 8.233 ( 0.000 0.401 3.899) 3.920 8.294 ( 0.000 -2.819 -6.692) 7.261 8.294 ( 0.000 -2.819 6.692) 7.261 9.014 ( 0.000 6.268 -1.820) 6.526 9.014 ( 0.000 6.268 1.820) 6.526 9.557 ( 0.000 -2.013 -0.810) 2.170 9.557 ( 0.000 -2.013 0.810) 2.170 10.101 ( 0.000 1.425 -6.182) 6.344 10.101 ( 0.000 1.425 6.182) 6.344 10.295 ( 0.000 -4.334 -3.356) 5.481 10.295 ( 0.000 -4.334 3.356) 5.481 10.385 ( 0.000 -1.992 -6.670) 6.962 10.385 ( 0.000 -1.992 6.670) 6.962 10.809 ( 0.000 5.868 -1.878) 6.161 10.809 ( 0.000 5.868 1.878) 6.161 11.209 ( 0.000 9.486 -5.329) 10.880 11.209 ( 0.000 9.486 5.329) 10.880 11.838 ( 0.000 -1.637 -4.706) 4.983 11.838 ( 0.000 -1.637 4.706) 4.983 12.113 ( 0.000 0.935 -4.212) 4.315 12.113 ( 0.000 0.935 4.212) 4.315 12.328 ( 0.000 1.021 -2.556) 2.752 12.328 ( 0.000 1.021 2.556) 2.752 12.385 ( 0.000 -7.844 -1.117) 7.923 12.385 ( 0.000 -7.844 1.117) 7.923 12.619 ( 0.000 3.665 -1.261) 3.876 12.619 ( 0.000 3.665 1.261) 3.876 13.124 ( 0.000 -5.070 -2.234) 5.540 13.124 ( 0.000 -5.070 2.234) 5.540 13.422 ( 0.000 -4.712 -0.645) 4.756 13.422 ( 0.000 -4.712 0.645) 4.756 13.664 ( 0.000 -1.790 -0.928) 2.016 13.664 ( 0.000 -1.790 0.928) 2.016 13.899 ( 0.000 -1.925 -4.038) 4.473 13.899 ( 0.000 -1.925 4.038) 4.473 16.097 ( 0.000 -1.815 -4.713) 5.051 16.097 ( 0.000 -1.815 4.713) 5.051 16.535 ( 0.000 -1.580 -5.560) 5.780 16.535 ( 0.000 -1.580 5.560) 5.780 16.904 ( 0.000 -15.554 -1.212) 15.602 16.904 ( 0.000 -15.554 1.212) 15.602 16.969 ( 0.000 -7.412 -2.779) 7.916 16.969 ( 0.000 -7.412 2.779) 7.916 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 1.987 10.507 -1.306) 10.772 2.366 ( 1.987 10.507 1.306) 10.772 2.605 ( -3.201 5.644 -2.789) 7.062 2.605 ( -3.201 5.644 2.789) 7.062 2.763 ( 1.200 1.899 -2.145) 3.106 2.763 ( 1.200 1.899 2.145) 3.106 2.926 ( 0.251 6.140 -4.193) 7.439 2.926 ( 0.251 6.140 4.193) 7.439 3.209 ( 2.590 10.719 -3.916) 11.703 3.209 ( 2.590 10.719 3.916) 11.703 3.455 ( -1.139 -0.296 -5.927) 6.042 3.455 ( -1.139 -0.296 5.927) 6.042 3.772 ( -3.869 0.533 -2.414) 4.591 3.772 ( -3.869 0.533 2.414) 4.591 3.976 ( -4.926 -1.407 -2.905) 5.890 3.976 ( -4.926 -1.407 2.905) 5.890 4.232 ( 4.084 -2.632 -9.505) 10.675 4.232 ( 4.084 -2.632 9.505) 10.675 4.375 ( 1.653 -0.373 -1.919) 2.560 4.375 ( 1.653 -0.373 1.919) 2.560 4.564 ( 0.252 4.797 -4.209) 6.387 4.564 ( 0.252 4.797 4.209) 6.387 4.911 ( -3.615 8.105 -6.663) 11.097 4.911 ( -3.615 8.105 6.663) 11.097 5.011 ( 3.814 2.744 -1.377) 4.896 5.011 ( 3.814 2.744 1.377) 4.896 5.190 ( 2.393 14.664 -1.155) 14.903 5.190 ( 2.393 14.664 1.155) 14.903 5.441 ( -1.490 17.963 -3.394) 18.342 5.441 ( -1.490 17.963 3.394) 18.342 5.563 ( -1.130 17.747 -6.104) 18.802 5.563 ( -1.130 17.747 6.104) 18.802 5.890 ( -0.472 17.638 -3.765) 18.042 5.890 ( -0.472 17.638 3.765) 18.042 6.011 ( -0.073 13.482 -2.368) 13.688 6.011 ( -0.073 13.482 2.368) 13.688 6.475 ( 3.491 3.420 -1.256) 5.046 6.475 ( 3.491 3.420 1.256) 5.046 6.822 ( -2.186 1.370 -3.495) 4.344 6.822 ( -2.186 1.370 3.495) 4.344 8.213 ( -1.377 -1.040 -0.853) 1.925 8.213 ( -1.377 -1.040 0.853) 1.925 8.328 ( 2.746 -1.192 -3.366) 4.505 8.328 ( 2.746 -1.192 3.366) 4.505 9.073 ( 5.160 5.616 -3.226) 8.281 9.073 ( 5.160 5.616 3.226) 8.281 9.533 ( -2.516 0.555 -2.424) 3.537 9.533 ( -2.516 0.555 2.424) 3.537 10.139 ( 3.572 0.403 -5.922) 6.928 10.139 ( 3.572 0.403 5.922) 6.928 10.321 ( 1.595 -4.864 -2.096) 5.531 10.321 ( 1.595 -4.864 2.096) 5.531 10.445 ( 6.500 -3.217 -7.819) 10.665 10.445 ( 6.500 -3.217 7.819) 10.665 10.843 ( 3.241 5.076 -2.810) 6.645 10.843 ( 3.241 5.076 2.810) 6.645 11.200 ( -1.310 8.120 -5.634) 9.969 11.200 ( -1.310 8.120 5.634) 9.969 11.625 ( -15.785 -2.542 -3.906) 16.458 11.625 ( -15.785 -2.542 3.906) 16.458 12.105 ( -1.561 1.099 -1.510) 2.434 12.105 ( -1.561 1.099 1.510) 2.434 12.169 ( -12.024 2.662 -4.992) 13.288 12.169 ( -12.024 2.662 4.992) 13.288 12.521 ( 8.671 -3.512 -6.754) 11.538 12.521 ( 8.671 -3.512 6.754) 11.538 12.694 ( 6.468 0.654 -4.854) 8.113 12.694 ( 6.468 0.654 4.854) 8.113 13.194 ( 5.399 -6.261 -5.243) 9.790 13.194 ( 5.399 -6.261 5.243) 9.790 13.380 ( -3.602 -0.696 -1.957) 4.158 13.380 ( -3.602 -0.696 1.957) 4.158 13.608 ( -5.170 -3.358 -0.900) 6.230 13.608 ( -5.170 -3.358 0.900) 6.230 13.887 ( -1.028 -2.634 -3.598) 4.576 13.887 ( -1.028 -2.634 3.598) 4.576 16.117 ( 1.682 -2.164 -3.696) 4.602 16.117 ( 1.682 -2.164 3.696) 4.602 16.526 ( -0.522 -2.771 -4.455) 5.272 16.526 ( -0.522 -2.771 4.455) 5.272 16.914 ( 0.001 -12.466 -3.580) 12.970 16.914 ( 0.001 -12.466 3.580) 12.970 16.975 ( 1.237 -9.062 -3.687) 9.861 16.975 ( 1.237 -9.062 3.687) 9.861 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 3.310 7.905 -1.536) 8.707 2.423 ( 3.310 7.905 1.536) 8.707 2.531 ( -3.810 6.702 -0.799) 7.751 2.531 ( -3.810 6.702 0.799) 7.751 2.809 ( 3.408 3.357 -3.088) 5.694 2.809 ( 3.408 3.357 3.088) 5.694 2.888 ( -3.584 3.588 -4.570) 6.827 2.888 ( -3.584 3.588 4.570) 6.827 3.263 ( 1.915 8.181 -1.830) 8.599 3.263 ( 1.915 8.181 1.830) 8.599 3.457 ( 0.384 2.322 -2.588) 3.498 3.457 ( 0.384 2.322 2.588) 3.498 3.730 ( 1.920 1.625 -2.079) 3.264 3.730 ( 1.920 1.625 2.079) 3.264 3.845 ( -7.442 0.526 -3.157) 8.101 3.845 ( -7.442 0.526 3.157) 8.101 4.299 ( 1.682 1.314 -6.682) 7.015 4.299 ( 1.682 1.314 6.682) 7.015 4.408 ( 1.230 -5.613 -5.392) 7.880 4.408 ( 1.230 -5.613 5.392) 7.880 4.590 ( 2.185 8.205 -2.704) 8.911 4.590 ( 2.185 8.205 2.704) 8.911 4.816 ( -4.457 7.245 -3.624) 9.246 4.816 ( -4.457 7.245 3.624) 9.246 5.088 ( 2.747 6.096 -1.308) 6.814 5.088 ( 2.747 6.096 1.308) 6.814 5.257 ( 3.052 5.854 -2.004) 6.899 5.257 ( 3.052 5.854 2.004) 6.899 5.425 ( 0.255 17.540 -2.385) 17.703 5.425 ( 0.255 17.540 2.385) 17.703 5.500 ( -4.031 16.908 -3.758) 17.784 5.500 ( -4.031 16.908 3.758) 17.784 5.900 ( 0.863 22.138 -1.746) 22.224 5.900 ( 0.863 22.138 1.746) 22.224 6.002 ( -0.552 14.785 -1.048) 14.832 6.002 ( -0.552 14.785 1.048) 14.832 6.549 ( 2.813 2.102 -0.879) 3.620 6.549 ( 2.813 2.102 0.879) 3.620 6.772 ( -2.120 1.863 -1.627) 3.258 6.772 ( -2.120 1.863 1.627) 3.258 8.191 ( -0.626 -1.213 -0.107) 1.369 8.191 ( -0.626 -1.213 0.107) 1.369 8.379 ( 1.650 -1.214 -1.131) 2.340 8.379 ( 1.650 -1.214 1.131) 2.340 9.183 ( 4.408 5.837 -3.515) 8.115 9.183 ( 4.408 5.837 3.515) 8.115 9.461 ( -3.584 3.198 -3.310) 5.833 9.461 ( -3.584 3.198 3.310) 5.833 10.232 ( 3.880 -2.866 -4.671) 6.714 10.232 ( 3.880 -2.866 4.671) 6.714 10.352 ( 1.692 -2.295 -3.364) 4.410 10.352 ( 1.692 -2.295 3.364) 4.410 10.587 ( 5.146 -4.766 -3.657) 7.910 10.587 ( 5.146 -4.766 3.657) 7.910 10.909 ( 0.692 -2.388 -3.420) 4.229 10.909 ( 0.692 -2.388 3.420) 4.229 11.174 ( 2.275 6.993 -2.971) 7.931 11.174 ( 2.275 6.993 2.971) 7.931 11.350 ( -10.375 1.282 -2.431) 10.732 11.350 ( -10.375 1.282 2.431) 10.732 11.882 ( -9.672 4.341 -1.200) 10.669 11.882 ( -9.672 4.341 1.200) 10.669 12.129 ( 0.403 0.813 -0.850) 1.243 12.129 ( 0.403 0.813 0.850) 1.243 12.651 ( 3.905 1.274 -4.559) 6.136 12.651 ( 3.905 1.274 4.559) 6.136 12.816 ( 3.661 -0.732 -3.148) 4.883 12.816 ( 3.661 -0.732 3.148) 4.883 13.255 ( -0.866 -7.713 -3.266) 8.420 13.255 ( -0.866 -7.713 3.266) 8.420 13.359 ( 4.088 2.851 -1.499) 5.205 13.359 ( 4.088 2.851 1.499) 5.205 13.481 ( -6.679 -4.866 -0.722) 8.295 13.481 ( -6.679 -4.866 0.722) 8.295 13.868 ( -0.570 -3.767 -1.533) 4.107 13.868 ( -0.570 -3.767 1.533) 4.107 16.147 ( 0.926 -2.823 -1.338) 3.258 16.147 ( 0.926 -2.823 1.338) 3.258 16.522 ( 0.026 -4.341 -1.706) 4.664 16.522 ( 0.026 -4.341 1.706) 4.664 16.899 ( -0.776 -8.230 -1.261) 8.362 16.899 ( -0.776 -8.230 1.261) 8.362 17.009 ( 1.251 -11.238 -1.065) 11.358 17.009 ( 1.251 -11.238 1.065) 11.358 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 0.000 9.447 -0.704) 9.473 2.557 ( 0.000 9.447 0.704) 9.473 2.711 ( 0.000 2.724 -1.540) 3.129 2.711 ( 0.000 2.724 1.540) 3.129 2.762 ( 0.000 0.395 -1.799) 1.842 2.762 ( 0.000 0.395 1.799) 1.842 3.034 ( 0.000 0.922 -0.064) 0.924 3.034 ( 0.000 0.922 0.064) 0.924 3.395 ( 0.000 9.822 -5.410) 11.213 3.395 ( 0.000 9.822 5.410) 11.213 3.490 ( 0.000 4.615 -3.283) 5.664 3.490 ( 0.000 4.615 3.283) 5.664 3.785 ( 0.000 -2.370 -2.477) 3.428 3.785 ( 0.000 -2.370 2.477) 3.428 3.942 ( 0.000 -6.071 -4.683) 7.667 3.942 ( 0.000 -6.071 4.683) 7.667 4.089 ( 0.000 -5.207 -6.099) 8.019 4.089 ( 0.000 -5.207 6.099) 8.019 4.316 ( 0.000 -3.657 -0.705) 3.724 4.316 ( 0.000 -3.657 0.705) 3.724 4.571 ( 0.000 -0.438 -0.756) 0.874 4.571 ( 0.000 -0.438 0.756) 0.874 4.886 ( 0.000 -5.952 -1.486) 6.135 4.886 ( 0.000 -5.952 1.486) 6.135 5.146 ( 0.000 8.732 -1.675) 8.891 5.146 ( 0.000 8.732 1.675) 8.891 5.490 ( 0.000 12.705 -1.778) 12.829 5.490 ( 0.000 12.705 1.778) 12.829 5.771 ( 0.000 12.210 -0.355) 12.216 5.771 ( 0.000 12.210 0.355) 12.216 5.925 ( 0.000 13.946 -1.875) 14.071 5.925 ( 0.000 13.946 1.875) 14.071 6.174 ( 0.000 11.362 -2.408) 11.614 6.174 ( 0.000 11.362 2.408) 11.614 6.257 ( 0.000 11.809 -5.574) 13.059 6.257 ( 0.000 11.809 5.574) 13.059 6.554 ( 0.000 6.801 -1.867) 7.053 6.554 ( 0.000 6.801 1.867) 7.053 6.846 ( 0.000 -1.245 -3.629) 3.837 6.846 ( 0.000 -1.245 3.629) 3.837 8.223 ( 0.000 0.036 -2.981) 2.981 8.223 ( 0.000 0.036 2.981) 2.981 8.310 ( 0.000 2.390 -5.034) 5.573 8.310 ( 0.000 2.390 5.034) 5.573 9.137 ( 0.000 5.880 -1.864) 6.168 9.137 ( 0.000 5.880 1.864) 6.168 9.490 ( 0.000 -4.447 -0.858) 4.529 9.490 ( 0.000 -4.447 0.858) 4.529 10.109 ( 0.000 -1.436 -3.785) 4.048 10.109 ( 0.000 -1.436 3.785) 4.048 10.264 ( 0.000 0.571 -4.194) 4.232 10.264 ( 0.000 0.571 4.194) 4.232 10.410 ( 0.000 6.179 -5.940) 8.571 10.410 ( 0.000 6.179 5.940) 8.571 10.922 ( 0.000 5.111 -1.120) 5.232 10.922 ( 0.000 5.111 1.120) 5.232 11.331 ( 0.000 1.087 -7.900) 7.974 11.331 ( 0.000 1.087 7.900) 7.974 11.697 ( 0.000 -9.811 -5.278) 11.141 11.697 ( 0.000 -9.811 5.278) 11.141 11.993 ( 0.000 -7.374 -0.988) 7.440 11.993 ( 0.000 -7.374 0.988) 7.440 12.236 ( 0.000 -6.146 -6.571) 8.997 12.236 ( 0.000 -6.146 6.571) 8.997 12.427 ( 0.000 5.149 -9.065) 10.425 12.427 ( 0.000 5.149 9.065) 10.425 12.721 ( 0.000 4.724 -0.561) 4.757 12.721 ( 0.000 4.724 0.561) 4.757 12.908 ( 0.000 -12.081 -7.404) 14.169 12.908 ( 0.000 -12.081 7.404) 14.169 13.390 ( 0.000 -0.868 -8.857) 8.900 13.390 ( 0.000 -0.868 8.857) 8.900 13.692 ( 0.000 3.036 -0.887) 3.163 13.692 ( 0.000 3.036 0.887) 3.163 13.876 ( 0.000 -0.477 -5.389) 5.410 13.876 ( 0.000 -0.477 5.389) 5.410 16.092 ( 0.000 1.088 -4.462) 4.593 16.092 ( 0.000 1.088 4.462) 4.593 16.477 ( 0.000 -4.617 -4.117) 6.186 16.477 ( 0.000 -4.617 4.117) 6.186 16.664 ( 0.000 -7.576 -2.016) 7.840 16.664 ( 0.000 -7.576 2.016) 7.840 16.878 ( 0.000 -2.285 -2.158) 3.142 16.878 ( 0.000 -2.285 2.158) 3.142 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 0.353 8.929 -0.344) 8.942 2.561 ( 0.353 8.929 0.344) 8.942 2.685 ( -1.995 2.904 -1.519) 3.836 2.685 ( -1.995 2.904 1.519) 3.836 2.782 ( 1.708 0.382 -3.182) 3.632 2.782 ( 1.708 0.382 3.182) 3.632 2.990 ( -3.785 -0.563 -1.793) 4.226 2.990 ( -3.785 -0.563 1.793) 4.226 3.419 ( 1.055 8.909 -4.468) 10.022 3.419 ( 1.055 8.909 4.468) 10.022 3.498 ( 2.012 5.979 -4.867) 7.968 3.498 ( 2.012 5.979 4.867) 7.968 3.768 ( -2.121 -1.145 -1.826) 3.024 3.768 ( -2.121 -1.145 1.826) 3.024 3.929 ( -1.214 -2.740 -1.786) 3.488 3.929 ( -1.214 -2.740 1.786) 3.488 4.119 ( 3.211 -6.453 -5.543) 9.093 4.119 ( 3.211 -6.453 5.543) 9.093 4.311 ( -0.689 -5.754 -4.507) 7.341 4.311 ( -0.689 -5.754 4.507) 7.341 4.592 ( 2.034 0.466 -2.875) 3.552 4.592 ( 2.034 0.466 2.875) 3.552 4.887 ( -0.778 -5.944 -2.512) 6.500 4.887 ( -0.778 -5.944 2.512) 6.500 5.164 ( 2.452 8.768 -0.725) 9.133 5.164 ( 2.452 8.768 0.725) 9.133 5.465 ( -2.444 11.415 -1.462) 11.765 5.465 ( -2.444 11.415 1.462) 11.765 5.745 ( -1.629 12.498 -0.376) 12.610 5.745 ( -1.629 12.498 0.376) 12.610 5.886 ( -3.538 12.465 -2.734) 13.242 5.886 ( -3.538 12.465 2.734) 13.242 6.208 ( 3.196 13.475 -2.289) 14.037 6.208 ( 3.196 13.475 2.289) 14.037 6.294 ( 2.373 12.783 -3.858) 13.561 6.294 ( 2.373 12.783 3.858) 13.561 6.571 ( 1.766 5.635 -1.766) 6.164 6.571 ( 1.766 5.635 1.766) 6.164 6.826 ( -1.918 -1.025 -3.173) 3.847 6.826 ( -1.918 -1.025 3.173) 3.847 8.210 ( -0.986 0.985 -1.591) 2.115 8.210 ( -0.986 0.985 1.591) 2.115 8.334 ( 1.891 0.864 -3.254) 3.861 8.334 ( 1.891 0.864 3.254) 3.861 9.197 ( 5.475 6.636 -2.446) 8.944 9.197 ( 5.475 6.636 2.446) 8.944 9.520 ( 2.212 -1.928 -1.628) 3.356 9.520 ( 2.212 -1.928 1.628) 3.356 10.145 ( 2.767 -2.112 -3.978) 5.286 10.145 ( 2.767 -2.112 3.978) 5.286 10.265 ( -0.007 1.407 -3.514) 3.785 10.265 ( -0.007 1.407 3.514) 3.785 10.414 ( 1.967 1.010 -3.507) 4.145 10.414 ( 1.967 1.010 3.507) 4.145 10.915 ( -2.542 0.974 -2.425) 3.645 10.915 ( -2.542 0.974 2.425) 3.645 11.276 ( -4.407 -0.557 -4.925) 6.632 11.276 ( -4.407 -0.557 4.925) 6.632 11.587 ( -6.549 0.727 -2.942) 7.216 11.587 ( -6.549 0.727 2.942) 7.216 12.026 ( 1.176 -7.871 -1.830) 8.166 12.026 ( 1.176 -7.871 1.830) 8.166 12.198 ( -8.498 -1.029 -5.569) 10.212 12.198 ( -8.498 -1.029 5.569) 10.212 12.411 ( 5.053 -2.907 -7.069) 9.163 12.411 ( 5.053 -2.907 7.069) 9.163 12.749 ( 0.734 0.136 -6.477) 6.520 12.749 ( 0.734 0.136 6.477) 6.520 12.989 ( 7.064 -7.938 -7.848) 13.210 12.989 ( 7.064 -7.938 7.848) 13.210 13.416 ( 2.222 1.466 -7.474) 7.933 13.416 ( 2.222 1.466 7.474) 7.933 13.623 ( -6.242 2.617 -1.424) 6.916 13.623 ( -6.242 2.617 1.424) 6.916 13.845 ( -2.775 -1.349 -5.412) 6.230 13.845 ( -2.775 -1.349 5.412) 6.230 16.106 ( 1.159 0.846 -3.368) 3.661 16.106 ( 1.159 0.846 3.368) 3.661 16.445 ( -2.294 -5.308 -2.822) 6.434 16.445 ( -2.294 -5.308 2.822) 6.434 16.711 ( 3.713 -6.595 -3.247) 8.236 16.711 ( 3.713 -6.595 3.247) 8.236 16.876 ( -0.278 -2.344 -2.579) 3.496 16.876 ( -0.278 -2.344 2.579) 3.496 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 0.476 6.795 -0.914) 6.872 2.570 ( 0.476 6.795 0.914) 6.872 2.645 ( -1.522 4.819 -1.088) 5.169 2.645 ( -1.522 4.819 1.088) 5.169 2.831 ( 3.143 -0.487 -4.208) 5.275 2.831 ( 3.143 -0.487 4.208) 5.275 2.906 ( -4.071 -1.397 -3.478) 5.534 2.906 ( -4.071 -1.397 3.478) 5.534 3.436 ( 0.971 7.676 -2.925) 8.272 3.436 ( 0.971 7.676 2.925) 8.272 3.529 ( -0.435 4.484 -1.485) 4.743 3.529 ( -0.435 4.484 1.485) 4.743 3.763 ( 3.010 2.222 -1.216) 3.934 3.763 ( 3.010 2.222 1.216) 3.934 3.870 ( -4.410 2.276 -0.206) 4.967 3.870 ( -4.410 2.276 0.206) 4.967 4.207 ( 4.491 -7.956 -8.579) 12.532 4.207 ( 4.491 -7.956 8.579) 12.532 4.281 ( -2.392 -6.955 -9.252) 11.819 4.281 ( -2.392 -6.955 9.252) 11.819 4.646 ( 2.715 -0.086 -3.162) 4.168 4.646 ( 2.715 -0.086 3.162) 4.168 4.838 ( -3.068 -3.810 -3.293) 5.897 4.838 ( -3.068 -3.810 3.293) 5.897 5.250 ( 5.163 8.561 -0.100) 9.998 5.250 ( 5.163 8.561 0.100) 9.998 5.392 ( -4.389 7.730 -0.846) 8.929 5.392 ( -4.389 7.730 0.846) 8.929 5.740 ( 1.337 12.811 -1.175) 12.934 5.740 ( 1.337 12.811 1.175) 12.934 5.806 ( -3.758 12.241 -2.052) 12.968 5.806 ( -3.758 12.241 2.052) 12.968 6.277 ( 2.913 14.423 -1.786) 14.822 6.277 ( 2.913 14.423 1.786) 14.822 6.317 ( -0.326 15.121 -2.061) 15.264 6.317 ( -0.326 15.121 2.061) 15.264 6.618 ( 2.258 4.205 -1.232) 4.930 6.618 ( 2.258 4.205 1.232) 4.930 6.780 ( -2.082 -1.011 -1.685) 2.863 6.780 ( -2.082 -1.011 1.685) 2.863 8.194 ( -0.441 1.620 -0.445) 1.737 8.194 ( -0.441 1.620 0.445) 1.737 8.367 ( 1.014 -0.681 -1.074) 1.627 8.367 ( 1.014 -0.681 1.074) 1.627 9.325 ( 5.722 8.103 -2.626) 10.261 9.325 ( 5.722 8.103 2.626) 10.261 9.528 ( -1.799 3.342 -2.569) 4.583 9.528 ( -1.799 3.342 2.569) 4.583 10.212 ( 2.901 0.003 -4.081) 5.008 10.212 ( 2.901 0.003 4.081) 5.008 10.287 ( 3.156 -2.934 -4.124) 5.965 10.287 ( 3.156 -2.934 4.124) 5.965 10.471 ( 0.953 -6.173 -3.083) 6.966 10.471 ( 0.953 -6.173 3.083) 6.966 10.781 ( -7.366 -9.749 -3.388) 12.679 10.781 ( -7.366 -9.749 3.388) 12.679 11.250 ( 1.863 3.248 -3.727) 5.283 11.250 ( 1.863 3.248 3.727) 5.283 11.481 ( -4.165 9.996 -2.320) 11.075 11.481 ( -4.165 9.996 2.320) 11.075 12.005 ( -4.585 5.550 -3.191) 7.875 12.005 ( -4.585 5.550 3.191) 7.875 12.049 ( -1.226 -7.189 -4.843) 8.755 12.049 ( -1.226 -7.189 4.843) 8.755 12.542 ( 5.152 -9.351 -4.315) 11.516 12.542 ( 5.152 -9.351 4.315) 11.516 12.733 ( -1.732 -7.627 -4.004) 8.787 12.733 ( -1.732 -7.627 4.004) 8.787 13.149 ( 7.577 -0.273 -2.526) 7.991 13.149 ( 7.577 -0.273 2.526) 7.991 13.403 ( -5.636 2.133 -1.317) 6.168 13.403 ( -5.636 2.133 1.317) 6.168 13.533 ( 0.100 4.614 -5.025) 6.823 13.533 ( 0.100 4.614 5.025) 6.823 13.785 ( -2.318 -4.120 -3.270) 5.748 13.785 ( -2.318 -4.120 3.270) 5.748 16.127 ( 0.663 0.712 -1.141) 1.500 16.127 ( 0.663 0.712 1.141) 1.500 16.409 ( -1.029 -6.583 -0.979) 6.735 16.409 ( -1.029 -6.583 0.979) 6.735 16.781 ( 2.516 -3.723 -2.769) 5.278 16.781 ( 2.516 -3.723 2.769) 5.278 16.864 ( -0.789 -3.830 -2.317) 4.545 16.864 ( -0.789 -3.830 2.317) 4.545 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 0.000 2.340 -0.484) 2.390 2.683 ( 0.000 2.340 0.484) 2.390 2.766 ( 0.000 0.201 -0.370) 0.421 2.766 ( 0.000 0.201 0.370) 0.421 2.805 ( 0.000 7.310 -2.631) 7.769 2.805 ( 0.000 7.310 2.631) 7.769 2.959 ( 0.000 -6.873 -1.540) 7.044 2.959 ( 0.000 -6.873 1.540) 7.044 3.570 ( 0.000 7.458 -4.097) 8.509 3.570 ( 0.000 7.458 4.097) 8.509 3.640 ( 0.000 8.617 -3.360) 9.249 3.640 ( 0.000 8.617 3.360) 9.249 3.715 ( 0.000 -4.632 -1.745) 4.949 3.715 ( 0.000 -4.632 1.745) 4.949 3.806 ( 0.000 -7.407 -4.827) 8.841 3.806 ( 0.000 -7.407 4.827) 8.841 4.011 ( 0.000 -2.140 -1.968) 2.907 4.011 ( 0.000 -2.140 1.968) 2.907 4.237 ( 0.000 -2.929 -0.245) 2.939 4.237 ( 0.000 -2.929 0.245) 2.939 4.593 ( 0.000 2.150 -0.604) 2.233 4.593 ( 0.000 2.150 0.604) 2.233 4.767 ( 0.000 -4.741 -1.442) 4.955 4.767 ( 0.000 -4.741 1.442) 4.955 5.269 ( 0.000 3.234 -0.323) 3.250 5.269 ( 0.000 3.234 0.323) 3.250 5.660 ( 0.000 4.281 -0.726) 4.342 5.660 ( 0.000 4.281 0.726) 4.342 5.943 ( 0.000 4.505 -0.474) 4.530 5.943 ( 0.000 4.505 0.474) 4.530 6.090 ( 0.000 3.419 -0.180) 3.424 6.090 ( 0.000 3.419 0.180) 3.424 6.361 ( 0.000 6.499 -1.968) 6.791 6.361 ( 0.000 6.499 1.968) 6.791 6.420 ( 0.000 3.512 -3.501) 4.959 6.420 ( 0.000 3.512 3.501) 4.959 6.665 ( 0.000 3.401 -0.958) 3.533 6.665 ( 0.000 3.401 0.958) 3.533 6.812 ( 0.000 -1.507 -1.624) 2.215 6.812 ( 0.000 -1.507 1.624) 2.215 8.242 ( 0.000 1.126 -0.924) 1.457 8.242 ( 0.000 1.126 0.924) 1.457 8.343 ( 0.000 0.666 -2.147) 2.248 8.343 ( 0.000 0.666 2.147) 2.248 9.246 ( 0.000 4.758 -1.012) 4.865 9.246 ( 0.000 4.758 1.012) 4.865 9.393 ( 0.000 -4.650 -0.162) 4.653 9.393 ( 0.000 -4.650 0.162) 4.653 10.084 ( 0.000 -0.647 -1.049) 1.233 10.084 ( 0.000 -0.647 1.049) 1.233 10.266 ( 0.000 -0.173 -1.253) 1.265 10.266 ( 0.000 -0.173 1.253) 1.265 10.614 ( 0.000 11.282 -7.814) 13.724 10.614 ( 0.000 11.282 7.814) 13.724 10.957 ( 0.000 -3.812 -7.847) 8.724 10.957 ( 0.000 -3.812 7.847) 8.724 11.256 ( 0.000 -3.516 -1.784) 3.943 11.256 ( 0.000 -3.516 1.784) 3.943 11.569 ( 0.000 -3.315 -4.823) 5.852 11.569 ( 0.000 -3.315 4.823) 5.852 11.922 ( 0.000 0.537 -1.350) 1.453 11.922 ( 0.000 0.537 1.350) 1.453 12.089 ( 0.000 -6.879 -2.038) 7.174 12.089 ( 0.000 -6.879 2.038) 7.174 12.543 ( 0.000 6.206 -9.152) 11.058 12.543 ( 0.000 6.206 9.152) 11.058 12.707 ( 0.000 -7.722 -9.629) 12.343 12.707 ( 0.000 -7.722 9.629) 12.343 12.788 ( 0.000 1.546 -0.084) 1.548 12.788 ( 0.000 1.546 0.084) 1.548 13.369 ( 0.000 -0.817 -4.060) 4.141 13.369 ( 0.000 -0.817 4.060) 4.141 13.747 ( 0.000 1.802 -0.511) 1.873 13.747 ( 0.000 1.802 0.511) 1.873 13.871 ( 0.000 -0.228 -2.089) 2.101 13.871 ( 0.000 -0.228 2.089) 2.101 16.124 ( 0.000 1.470 -2.223) 2.665 16.124 ( 0.000 1.470 2.223) 2.665 16.377 ( 0.000 -3.688 -0.401) 3.710 16.377 ( 0.000 -3.688 0.401) 3.710 16.589 ( 0.000 -1.223 -0.202) 1.240 16.589 ( 0.000 -1.223 0.202) 1.240 16.856 ( 0.000 -0.359 -0.844) 0.917 16.856 ( 0.000 -0.359 0.844) 0.917 ======================= Grid point 222 (71/72) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 0.600 2.640 -1.302) 3.004 2.691 ( 0.600 2.640 1.302) 3.004 2.747 ( -1.980 2.940 -1.911) 4.027 2.747 ( -1.980 2.940 1.911) 4.027 2.800 ( 0.101 3.251 -1.078) 3.427 2.800 ( 0.101 3.251 1.078) 3.427 2.916 ( -3.474 -5.923 -0.428) 6.880 2.916 ( -3.474 -5.923 0.428) 6.880 3.560 ( -0.971 6.129 -6.113) 8.710 3.560 ( -0.971 6.129 6.113) 8.710 3.641 ( -1.707 2.779 -1.513) 3.596 3.641 ( -1.707 2.779 1.513) 3.596 3.736 ( 3.742 1.230 -4.335) 5.857 3.736 ( 3.742 1.230 4.335) 5.857 3.858 ( 4.787 -5.142 -3.332) 7.776 3.858 ( 4.787 -5.142 3.332) 7.776 4.040 ( 1.741 -0.715 -1.114) 2.187 4.040 ( 1.741 -0.715 1.114) 2.187 4.188 ( -3.582 -5.002 -2.646) 6.697 4.188 ( -3.582 -5.002 2.646) 6.697 4.626 ( 2.158 2.775 -1.283) 3.742 4.626 ( 2.158 2.775 1.283) 3.742 4.761 ( -0.714 -5.496 -1.516) 5.746 4.761 ( -0.714 -5.496 1.516) 5.746 5.290 ( 2.422 3.325 -0.134) 4.116 5.290 ( 2.422 3.325 0.134) 4.116 5.622 ( -3.799 4.049 -0.586) 5.583 5.622 ( -3.799 4.049 0.586) 5.583 5.920 ( -1.391 4.571 -0.202) 4.782 5.920 ( -1.391 4.571 0.202) 4.782 6.044 ( -3.675 3.662 -0.791) 5.248 6.044 ( -3.675 3.662 0.791) 5.248 6.416 ( 4.238 6.814 -1.722) 8.207 6.416 ( 4.238 6.814 1.722) 8.207 6.463 ( 3.632 3.353 -2.939) 5.751 6.463 ( 3.632 3.353 2.939) 5.751 6.666 ( 0.157 3.019 -0.866) 3.145 6.666 ( 0.157 3.019 0.866) 3.145 6.796 ( -1.573 -1.304 -1.514) 2.543 6.796 ( -1.573 -1.304 1.514) 2.543 8.247 ( 0.345 2.002 -0.870) 2.210 8.247 ( 0.345 2.002 0.870) 2.210 8.336 ( -0.456 -0.671 -1.914) 2.079 8.336 ( -0.456 -0.671 1.914) 2.079 9.331 ( 7.369 6.429 -1.107) 9.842 9.331 ( 7.369 6.429 1.107) 9.842 9.455 ( 5.811 -4.525 -0.270) 7.370 9.455 ( 5.811 -4.525 0.270) 7.370 10.091 ( 0.685 -1.761 -1.077) 2.175 10.091 ( 0.685 -1.761 1.077) 2.175 10.293 ( 2.538 0.158 -1.216) 2.819 10.293 ( 2.538 0.158 1.216) 2.819 10.531 ( -6.637 9.359 -6.059) 12.975 10.531 ( -6.637 9.359 6.059) 12.975 10.821 ( -12.789 -9.198 -7.629) 17.503 10.821 ( -12.789 -9.198 7.629) 17.503 11.300 ( 4.290 3.921 -5.632) 8.094 11.300 ( 4.290 3.921 5.632) 8.094 11.587 ( 1.023 -3.089 -2.954) 4.395 11.587 ( 1.023 -3.089 2.954) 4.395 11.925 ( -0.042 1.000 -1.866) 2.117 11.925 ( -0.042 1.000 1.866) 2.117 12.088 ( -0.571 -7.793 -1.698) 7.997 12.088 ( -0.571 -7.793 1.698) 7.997 12.456 ( -4.611 5.249 -5.260) 8.746 12.456 ( -4.611 5.249 5.260) 8.746 12.650 ( -4.031 -6.804 -5.129) 9.426 12.650 ( -4.031 -6.804 5.129) 9.426 12.948 ( 11.225 0.745 -1.284) 11.323 12.948 ( 11.225 0.745 1.284) 11.323 13.424 ( 4.874 -0.181 -3.346) 5.915 13.424 ( 4.874 -0.181 3.346) 5.915 13.666 ( -7.352 1.290 -0.689) 7.496 13.666 ( -7.352 1.290 0.689) 7.496 13.832 ( -3.721 -0.202 -2.211) 4.333 13.832 ( -3.721 -0.202 2.211) 4.333 16.136 ( 1.188 1.529 -1.669) 2.556 16.136 ( 1.188 1.529 1.669) 2.556 16.344 ( -2.823 -3.587 -0.468) 4.589 16.344 ( -2.823 -3.587 0.468) 4.589 16.640 ( 4.484 -1.334 -1.181) 4.825 16.640 ( 4.484 -1.334 1.181) 4.825 16.853 ( -0.534 -0.394 -0.926) 1.139 16.853 ( -0.534 -0.394 0.926) 1.139 ======================= Grid point 224 (72/72) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -0.934 4.497 -1.496) 4.831 2.688 ( -0.934 4.497 1.496) 4.831 2.721 ( -0.042 2.326 -2.846) 3.676 2.721 ( -0.042 2.326 2.846) 3.676 2.811 ( 0.914 -0.660 -2.429) 2.678 2.811 ( 0.914 -0.660 2.429) 2.678 2.852 ( -2.416 -3.442 -2.268) 4.778 2.852 ( -2.416 -3.442 2.268) 4.778 3.548 ( 0.188 3.802 -4.968) 6.258 3.548 ( 0.188 3.802 4.968) 6.258 3.588 ( -2.445 0.303 -2.116) 3.248 3.588 ( -2.445 0.303 2.116) 3.248 3.843 ( 5.255 5.446 -2.611) 8.006 3.843 ( 5.255 5.446 2.611) 8.006 3.927 ( 0.049 1.976 -1.076) 2.251 3.927 ( 0.049 1.976 1.076) 2.251 4.068 ( 1.883 -3.884 -2.867) 5.182 4.068 ( 1.883 -3.884 2.867) 5.182 4.131 ( -2.081 -7.291 -4.355) 8.744 4.131 ( -2.081 -7.291 4.355) 8.744 4.657 ( 0.951 1.951 -1.067) 2.419 4.657 ( 0.951 1.951 1.067) 2.419 4.736 ( -1.399 -5.125 -1.587) 5.544 4.736 ( -1.399 -5.125 1.587) 5.544 5.376 ( 5.964 3.414 -0.149) 6.874 5.376 ( 5.964 3.414 0.149) 6.874 5.513 ( -6.590 3.397 -0.339) 7.422 5.513 ( -6.590 3.397 0.339) 7.422 5.916 ( 1.236 4.612 -0.259) 4.782 5.916 ( 1.236 4.612 0.259) 4.782 5.969 ( -3.335 3.995 -0.681) 5.248 5.969 ( -3.335 3.995 0.681) 5.248 6.492 ( 2.540 7.093 -0.976) 7.597 6.492 ( 2.540 7.093 0.976) 7.597 6.528 ( 1.802 4.692 -1.400) 5.217 6.528 ( 1.802 4.692 1.400) 5.217 6.682 ( 1.765 1.553 -0.911) 2.521 6.682 ( 1.765 1.553 0.911) 2.521 6.749 ( -2.899 -1.321 -1.234) 3.416 6.749 ( -2.899 -1.321 1.234) 3.416 8.251 ( 0.093 3.697 -0.360) 3.715 8.251 ( 0.093 3.697 0.360) 3.715 8.331 ( -0.048 -2.965 -0.790) 3.069 8.331 ( -0.048 -2.965 0.790) 3.069 9.486 ( 6.389 7.035 -1.201) 9.579 9.486 ( 6.389 7.035 1.201) 9.579 9.570 ( 2.995 -0.186 -0.746) 3.093 9.570 ( 2.995 -0.186 0.746) 3.093 10.147 ( 6.938 -3.623 -0.687) 7.857 10.147 ( 6.938 -3.623 0.687) 7.857 10.346 ( 0.622 5.128 -2.300) 5.655 10.346 ( 0.622 5.128 2.300) 5.655 10.373 ( -9.470 -0.827 -1.599) 9.640 10.373 ( -9.470 -0.827 1.599) 9.640 10.559 ( -8.352 -11.273 -4.470) 14.725 10.559 ( -8.352 -11.273 4.470) 14.725 11.382 ( 2.672 9.638 -2.823) 10.392 11.382 ( 2.672 9.638 2.823) 10.392 11.596 ( 0.011 -3.772 -0.698) 3.836 11.596 ( 0.011 -3.772 0.698) 3.836 11.918 ( -0.414 2.301 -0.842) 2.485 11.918 ( -0.414 2.301 0.842) 2.485 12.060 ( -1.424 -4.726 -0.554) 4.967 12.060 ( -1.424 -4.726 0.554) 4.967 12.425 ( 0.882 0.848 -2.869) 3.119 12.425 ( 0.882 0.848 2.869) 3.119 12.564 ( -3.574 -8.008 -2.720) 9.181 12.564 ( -3.574 -8.008 2.720) 9.181 13.186 ( 11.696 2.029 -0.534) 11.883 13.186 ( 11.696 2.029 0.534) 11.883 13.434 ( -9.156 0.588 -0.599) 9.195 13.434 ( -9.156 0.588 0.599) 9.195 13.586 ( 4.824 0.810 -3.161) 5.824 13.586 ( 4.824 0.810 3.161) 5.824 13.730 ( -5.863 -1.118 -2.352) 6.415 13.730 ( -5.863 -1.118 2.352) 6.415 16.167 ( 1.483 2.825 -0.646) 3.255 16.167 ( 1.483 2.825 0.646) 3.255 16.285 ( -2.332 -5.036 -0.290) 5.557 16.285 ( -2.332 -5.036 0.290) 5.557 16.741 ( 4.782 -0.729 -1.244) 4.995 16.741 ( 4.782 -0.729 1.244) 4.995 16.823 ( -2.565 -0.825 -1.057) 2.894 16.823 ( -2.565 -0.825 1.057) 2.894 =================== 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 3/25200 10.0 5116.464 5169.044 3774.946 0.000 0.000 0.000 3/25200 20.0 588.121 930.000 616.824 0.000 0.000 0.000 3/25200 30.0 171.550 325.524 184.919 0.000 0.000 0.000 3/25200 40.0 79.699 176.127 87.891 0.000 0.000 0.000 3/25200 50.0 47.464 116.900 53.288 0.000 0.000 0.000 3/25200 60.0 32.474 85.715 36.927 0.000 0.000 0.000 3/25200 70.0 24.148 66.487 27.699 0.000 0.000 0.000 3/25200 80.0 18.961 53.528 21.871 0.000 0.000 0.000 3/25200 90.0 15.470 44.308 17.904 0.000 0.000 0.000 3/25200 100.0 12.991 37.498 15.058 0.000 0.000 0.000 3/25200 110.0 11.156 32.322 12.936 0.000 0.000 0.000 3/25200 120.0 9.754 28.293 11.304 0.000 0.000 0.000 3/25200 130.0 8.654 25.094 10.019 0.000 0.000 0.000 3/25200 140.0 7.771 22.508 8.985 0.000 0.000 0.000 3/25200 150.0 7.050 20.385 8.138 0.000 0.000 0.000 3/25200 160.0 6.451 18.616 7.434 0.000 0.000 0.000 3/25200 170.0 5.946 17.124 6.840 0.000 0.000 0.000 3/25200 180.0 5.516 15.852 6.334 0.000 0.000 0.000 3/25200 190.0 5.144 14.755 5.897 0.000 0.000 0.000 3/25200 200.0 4.820 13.801 5.517 0.000 0.000 0.000 3/25200 210.0 4.536 12.964 5.184 0.000 0.000 0.000 3/25200 220.0 4.284 12.225 4.890 0.000 0.000 0.000 3/25200 230.0 4.060 11.567 4.627 0.000 0.000 0.000 3/25200 240.0 3.858 10.978 4.392 0.000 0.000 0.000 3/25200 250.0 3.677 10.448 4.180 0.000 0.000 0.000 3/25200 260.0 3.512 9.968 3.989 0.000 0.000 0.000 3/25200 270.0 3.362 9.531 3.814 0.000 0.000 0.000 3/25200 280.0 3.224 9.133 3.655 0.000 0.000 0.000 3/25200 290.0 3.098 8.767 3.508 0.000 0.000 0.000 3/25200 300.0 2.981 8.430 3.374 0.000 0.000 0.000 3/25200 310.0 2.874 8.119 3.249 0.000 0.000 0.000 3/25200 320.0 2.774 7.831 3.134 0.000 0.000 0.000 3/25200 330.0 2.681 7.564 3.027 0.000 0.000 0.000 3/25200 340.0 2.594 7.315 2.927 0.000 0.000 0.000 3/25200 350.0 2.512 7.082 2.834 0.000 0.000 0.000 3/25200 360.0 2.436 6.864 2.746 0.000 0.000 0.000 3/25200 370.0 2.365 6.659 2.664 0.000 0.000 0.000 3/25200 380.0 2.297 6.466 2.587 0.000 0.000 0.000 3/25200 390.0 2.234 6.285 2.515 0.000 0.000 0.000 3/25200 400.0 2.174 6.114 2.446 0.000 0.000 0.000 3/25200 410.0 2.117 5.952 2.381 0.000 0.000 0.000 3/25200 420.0 2.063 5.799 2.320 0.000 0.000 0.000 3/25200 430.0 2.012 5.654 2.262 0.000 0.000 0.000 3/25200 440.0 1.964 5.516 2.206 0.000 0.000 0.000 3/25200 450.0 1.917 5.385 2.154 0.000 0.000 0.000 3/25200 460.0 1.873 5.260 2.104 0.000 0.000 0.000 3/25200 470.0 1.831 5.140 2.056 0.000 0.000 0.000 3/25200 480.0 1.791 5.027 2.010 0.000 0.000 0.000 3/25200 490.0 1.753 4.918 1.967 0.000 0.000 0.000 3/25200 500.0 1.716 4.814 1.925 0.000 0.000 0.000 3/25200 510.0 1.681 4.714 1.885 0.000 0.000 0.000 3/25200 520.0 1.647 4.619 1.847 0.000 0.000 0.000 3/25200 530.0 1.615 4.527 1.810 0.000 0.000 0.000 3/25200 540.0 1.583 4.439 1.775 0.000 0.000 0.000 3/25200 550.0 1.554 4.354 1.741 0.000 0.000 0.000 3/25200 560.0 1.525 4.273 1.709 0.000 0.000 0.000 3/25200 570.0 1.497 4.195 1.677 0.000 0.000 0.000 3/25200 580.0 1.470 4.119 1.647 0.000 0.000 0.000 3/25200 590.0 1.444 4.047 1.618 0.000 0.000 0.000 3/25200 600.0 1.420 3.977 1.590 0.000 0.000 0.000 3/25200 610.0 1.396 3.909 1.563 0.000 0.000 0.000 3/25200 620.0 1.372 3.843 1.536 0.000 0.000 0.000 3/25200 630.0 1.350 3.780 1.511 0.000 0.000 0.000 3/25200 640.0 1.328 3.719 1.487 0.000 0.000 0.000 3/25200 650.0 1.307 3.660 1.463 0.000 0.000 0.000 3/25200 660.0 1.287 3.603 1.440 0.000 0.000 0.000 3/25200 670.0 1.267 3.547 1.418 0.000 0.000 0.000 3/25200 680.0 1.248 3.493 1.396 0.000 0.000 0.000 3/25200 690.0 1.229 3.441 1.375 0.000 0.000 0.000 3/25200 700.0 1.211 3.390 1.355 0.000 0.000 0.000 3/25200 710.0 1.194 3.341 1.336 0.000 0.000 0.000 3/25200 720.0 1.177 3.294 1.316 0.000 0.000 0.000 3/25200 730.0 1.160 3.247 1.298 0.000 0.000 0.000 3/25200 740.0 1.144 3.202 1.280 0.000 0.000 0.000 3/25200 750.0 1.129 3.158 1.262 0.000 0.000 0.000 3/25200 760.0 1.114 3.116 1.245 0.000 0.000 0.000 3/25200 770.0 1.099 3.074 1.229 0.000 0.000 0.000 3/25200 780.0 1.085 3.034 1.213 0.000 0.000 0.000 3/25200 790.0 1.071 2.995 1.197 0.000 0.000 0.000 3/25200 800.0 1.057 2.956 1.181 0.000 0.000 0.000 3/25200 810.0 1.044 2.919 1.167 0.000 0.000 0.000 3/25200 820.0 1.031 2.883 1.152 0.000 0.000 0.000 3/25200 830.0 1.018 2.847 1.138 0.000 0.000 0.000 3/25200 840.0 1.006 2.813 1.124 0.000 0.000 0.000 3/25200 850.0 0.994 2.779 1.110 0.000 0.000 0.000 3/25200 860.0 0.982 2.746 1.097 0.000 0.000 0.000 3/25200 870.0 0.970 2.714 1.084 0.000 0.000 0.000 3/25200 880.0 0.959 2.682 1.072 0.000 0.000 0.000 3/25200 890.0 0.948 2.652 1.060 0.000 0.000 0.000 3/25200 900.0 0.938 2.622 1.048 0.000 0.000 0.000 3/25200 910.0 0.927 2.592 1.036 0.000 0.000 0.000 3/25200 920.0 0.917 2.564 1.024 0.000 0.000 0.000 3/25200 930.0 0.907 2.536 1.013 0.000 0.000 0.000 3/25200 940.0 0.897 2.508 1.002 0.000 0.000 0.000 3/25200 950.0 0.888 2.482 0.992 0.000 0.000 0.000 3/25200 960.0 0.878 2.455 0.981 0.000 0.000 0.000 3/25200 970.0 0.869 2.430 0.971 0.000 0.000 0.000 3/25200 980.0 0.860 2.404 0.961 0.000 0.000 0.000 3/25200 990.0 0.851 2.380 0.951 0.000 0.000 0.000 3/25200 1000.0 0.843 2.356 0.941 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m5154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:38:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|