----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:05:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P31c (159) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.773541872634778 0.000000000000000 0.000000000000000 b -3.886770936317389 6.732084739083775 0.000000000000000 c 0.000000000000000 0.000000000000000 5.634628870000000 Atomic positions (fractional): *1 N 0.61053380055121 0.95477004442460 0.43310663143861 14.007 2 N 0.04522995557540 0.65576375612661 0.43310663143861 14.007 3 N 0.34423624387339 0.38946619944879 0.43310663143861 14.007 4 N 0.95477004442460 0.61053380055121 0.93310663143860 14.007 5 N 0.65576375612661 0.04522995557540 0.93310663143860 14.007 6 N 0.38946619944879 0.34423624387339 0.93310663143860 14.007 *7 N 0.31908032207731 0.00401099926642 0.69928560908535 14.007 8 N 0.99598900073358 0.31506932281088 0.69928560908535 14.007 9 N 0.68493067718912 0.68091967792269 0.69928560908535 14.007 10 N 0.00401099926642 0.31908032207731 0.19928560908536 14.007 11 N 0.31506932281088 0.99598900073358 0.19928560908536 14.007 12 N 0.68091967792269 0.68493067718912 0.19928560908536 14.007 *13 N 0.66666666666667 0.33333333333333 0.60401091071964 14.007 14 N 0.33333333333333 0.66666666666667 0.10401091071964 14.007 *15 N 0.00000000000000 0.00000000000000 0.45382525259840 14.007 16 N 0.00000000000000 0.00000000000000 0.95382525259840 14.007 *17 Si 0.51171321431704 0.42924043474528 0.66036354387565 28.085 18 Si 0.57075956525473 0.08247277957176 0.66036354387565 28.085 19 Si 0.91752722042824 0.48828678568296 0.66036354387565 28.085 20 Si 0.42924043474528 0.51171321431704 0.16036354387565 28.085 21 Si 0.08247277957176 0.57075956525473 0.16036354387565 28.085 22 Si 0.48828678568296 0.91752722042824 0.16036354387565 28.085 *23 Si 0.16750712641211 0.91408139265955 0.45299882116104 28.085 24 Si 0.08591860734045 0.25342573375256 0.45299882116104 28.085 25 Si 0.74657426624744 0.83249287358789 0.45299882116104 28.085 26 Si 0.91408139265955 0.16750712641211 0.95299882116103 28.085 27 Si 0.25342573375256 0.08591860734045 0.95299882116103 28.085 28 Si 0.83249287358789 0.74657426624744 0.95299882116103 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.773541872634778 0.000000000000000 0.000000000000000 b -3.886770936317389 6.732084739083775 0.000000000000000 c 0.000000000000000 0.000000000000000 5.634628870000000 Atomic positions (fractional): *1 N 0.61053380055121 0.95477004442460 0.43310663143861 14.007 > 1 2 N 0.04522995557540 0.65576375612661 0.43310663143861 14.007 > 2 3 N 0.34423624387339 0.38946619944879 0.43310663143861 14.007 > 3 4 N 0.95477004442460 0.61053380055121 0.93310663143860 14.007 > 4 5 N 0.65576375612661 0.04522995557540 0.93310663143860 14.007 > 5 6 N 0.38946619944879 0.34423624387339 0.93310663143860 14.007 > 6 *7 N 0.31908032207731 0.00401099926642 0.69928560908535 14.007 > 7 8 N 0.99598900073358 0.31506932281088 0.69928560908535 14.007 > 8 9 N 0.68493067718912 0.68091967792269 0.69928560908535 14.007 > 9 10 N 0.00401099926642 0.31908032207731 0.19928560908536 14.007 > 10 11 N 0.31506932281088 0.99598900073358 0.19928560908536 14.007 > 11 12 N 0.68091967792269 0.68493067718912 0.19928560908536 14.007 > 12 *13 N 0.66666666666667 0.33333333333333 0.60401091071964 14.007 > 13 14 N 0.33333333333333 0.66666666666667 0.10401091071964 14.007 > 14 *15 N 0.00000000000000 0.00000000000000 0.45382525259840 14.007 > 15 16 N 0.00000000000000 0.00000000000000 0.95382525259840 14.007 > 16 *17 Si 0.51171321431704 0.42924043474528 0.66036354387565 28.085 > 17 18 Si 0.57075956525473 0.08247277957176 0.66036354387565 28.085 > 18 19 Si 0.91752722042824 0.48828678568296 0.66036354387565 28.085 > 19 20 Si 0.42924043474528 0.51171321431704 0.16036354387565 28.085 > 20 21 Si 0.08247277957176 0.57075956525473 0.16036354387565 28.085 > 21 22 Si 0.48828678568296 0.91752722042824 0.16036354387565 28.085 > 22 *23 Si 0.16750712641211 0.91408139265955 0.45299882116104 28.085 > 23 24 Si 0.08591860734045 0.25342573375256 0.45299882116104 28.085 > 24 25 Si 0.74657426624744 0.83249287358789 0.45299882116104 28.085 > 25 26 Si 0.91408139265955 0.16750712641211 0.95299882116103 28.085 > 26 27 Si 0.25342573375256 0.08591860734045 0.95299882116103 28.085 > 27 28 Si 0.83249287358789 0.74657426624744 0.95299882116103 28.085 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.773541872634778 0.000000000000000 0.000000000000000 b -3.886770936317389 6.732084739083775 0.000000000000000 c 0.000000000000000 0.000000000000000 11.269257740000000 Atomic positions (fractional): *1 N 0.61053380055121 0.95477004442460 0.21655331571930 14.007 > 1 2 N 0.61053380055121 0.95477004442460 0.71655331571930 14.007 > 1 3 N 0.04522995557540 0.65576375612661 0.21655331571930 14.007 > 2 4 N 0.04522995557540 0.65576375612661 0.71655331571930 14.007 > 2 5 N 0.34423624387339 0.38946619944879 0.21655331571930 14.007 > 3 6 N 0.34423624387339 0.38946619944879 0.71655331571930 14.007 > 3 7 N 0.95477004442460 0.61053380055121 0.46655331571930 14.007 > 4 8 N 0.95477004442460 0.61053380055121 0.96655331571930 14.007 > 4 9 N 0.65576375612661 0.04522995557540 0.46655331571930 14.007 > 5 10 N 0.65576375612661 0.04522995557540 0.96655331571930 14.007 > 5 11 N 0.38946619944879 0.34423624387339 0.46655331571930 14.007 > 6 12 N 0.38946619944879 0.34423624387339 0.96655331571930 14.007 > 6 *13 N 0.31908032207731 0.00401099926642 0.34964280454268 14.007 > 7 14 N 0.31908032207731 0.00401099926642 0.84964280454268 14.007 > 7 15 N 0.99598900073358 0.31506932281088 0.34964280454268 14.007 > 8 16 N 0.99598900073358 0.31506932281088 0.84964280454268 14.007 > 8 17 N 0.68493067718912 0.68091967792269 0.34964280454268 14.007 > 9 18 N 0.68493067718912 0.68091967792269 0.84964280454268 14.007 > 9 19 N 0.00401099926642 0.31908032207731 0.09964280454268 14.007 > 10 20 N 0.00401099926642 0.31908032207731 0.59964280454268 14.007 > 10 21 N 0.31506932281088 0.99598900073358 0.09964280454268 14.007 > 11 22 N 0.31506932281088 0.99598900073358 0.59964280454268 14.007 > 11 23 N 0.68091967792269 0.68493067718912 0.09964280454268 14.007 > 12 24 N 0.68091967792269 0.68493067718912 0.59964280454268 14.007 > 12 *25 N 0.66666666666667 0.33333333333333 0.30200545535982 14.007 > 13 26 N 0.66666666666667 0.33333333333333 0.80200545535982 14.007 > 13 27 N 0.33333333333333 0.66666666666667 0.05200545535982 14.007 > 14 28 N 0.33333333333333 0.66666666666667 0.55200545535982 14.007 > 14 *29 N 0.00000000000000 0.00000000000000 0.22691262629920 14.007 > 15 30 N 0.00000000000000 0.00000000000000 0.72691262629920 14.007 > 15 31 N 0.00000000000000 0.00000000000000 0.47691262629920 14.007 > 16 32 N 0.00000000000000 0.00000000000000 0.97691262629920 14.007 > 16 *33 Si 0.51171321431704 0.42924043474528 0.33018177193783 28.085 > 17 34 Si 0.51171321431704 0.42924043474528 0.83018177193783 28.085 > 17 35 Si 0.57075956525473 0.08247277957176 0.33018177193783 28.085 > 18 36 Si 0.57075956525473 0.08247277957176 0.83018177193783 28.085 > 18 37 Si 0.91752722042824 0.48828678568296 0.33018177193783 28.085 > 19 38 Si 0.91752722042824 0.48828678568296 0.83018177193783 28.085 > 19 39 Si 0.42924043474528 0.51171321431704 0.08018177193783 28.085 > 20 40 Si 0.42924043474528 0.51171321431704 0.58018177193783 28.085 > 20 41 Si 0.08247277957176 0.57075956525473 0.08018177193783 28.085 > 21 42 Si 0.08247277957176 0.57075956525473 0.58018177193783 28.085 > 21 43 Si 0.48828678568296 0.91752722042824 0.08018177193783 28.085 > 22 44 Si 0.48828678568296 0.91752722042824 0.58018177193783 28.085 > 22 *45 Si 0.16750712641211 0.91408139265955 0.22649941058052 28.085 > 23 46 Si 0.16750712641211 0.91408139265955 0.72649941058052 28.085 > 23 47 Si 0.08591860734045 0.25342573375256 0.22649941058052 28.085 > 24 48 Si 0.08591860734045 0.25342573375256 0.72649941058052 28.085 > 24 49 Si 0.74657426624744 0.83249287358789 0.22649941058052 28.085 > 25 50 Si 0.74657426624744 0.83249287358789 0.72649941058052 28.085 > 25 51 Si 0.91408139265955 0.16750712641211 0.47649941058052 28.085 > 26 52 Si 0.91408139265955 0.16750712641211 0.97649941058052 28.085 > 26 53 Si 0.25342573375256 0.08591860734045 0.47649941058052 28.085 > 27 54 Si 0.25342573375256 0.08591860734045 0.97649941058052 28.085 > 27 55 Si 0.83249287358789 0.74657426624744 0.47649941058052 28.085 > 28 56 Si 0.83249287358789 0.74657426624744 0.97649941058052 28.085 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3372870 0.0000000 0.0000000 0.0000000 4.3372870 0.0000000 0.0000000 0.0000000 4.2799879 -------------------------- Born effective charges -------------------------- 1 N -2.7524992 0.5227869 -0.1549627 0.4829772 -2.0198154 -0.5602234 -0.0732797 -0.5121645 -2.7275099 2 N -1.7674777 0.0857252 0.5626490 0.0459155 -3.0048370 0.1459101 0.4801873 0.1926202 -2.7275099 3 N -2.6384951 -0.5487976 -0.4076863 -0.5886073 -2.1338196 0.4143133 -0.4069076 0.3195443 -2.7275099 4 N -2.6384951 0.5487976 -0.4076863 0.5886073 -2.1338196 -0.4143133 -0.4069076 -0.3195443 -2.7275099 5 N -2.7524992 -0.5227869 -0.1549627 -0.4829772 -2.0198154 0.5602234 -0.0732797 0.5121645 -2.7275099 6 N -1.7674777 -0.0857252 0.5626490 -0.0459155 -3.0048370 -0.1459101 0.4801873 -0.1926202 -2.7275099 7 N -2.7816103 -0.2109336 0.0690088 -0.3083218 -1.9602425 -0.4629009 0.0472555 -0.4217617 -2.8163618 8 N -2.3904286 0.5341707 0.3663795 0.4367825 -2.3514241 0.2912138 0.3416286 0.2518053 -2.8163618 9 N -1.9407402 -0.1771547 -0.4353883 -0.2745429 -2.8011125 0.1716870 -0.3888841 0.1699564 -2.8163618 10 N -1.9407402 0.1771547 -0.4353883 0.2745429 -2.8011125 -0.1716870 -0.3888841 -0.1699564 -2.8163618 11 N -2.7816103 0.2109336 0.0690088 0.3083218 -1.9602425 0.4629009 0.0472555 0.4217617 -2.8163618 12 N -2.3904286 -0.5341707 0.3663795 -0.4367825 -2.3514241 -0.2912138 0.3416286 -0.2518053 -2.8163618 13 N -2.9232477 -0.0680255 -0.0000000 0.0680255 -2.9232477 0.0000000 -0.0000000 0.0000000 -1.5146009 14 N -2.9232477 0.0680255 -0.0000000 -0.0680255 -2.9232477 0.0000000 -0.0000000 0.0000000 -1.5146009 15 N -2.8813003 0.0794422 -0.0000000 -0.0794422 -2.8813003 0.0000000 -0.0000000 0.0000000 -1.7103549 16 N -2.8813003 -0.0794422 -0.0000000 0.0794422 -2.8813003 0.0000000 -0.0000000 0.0000000 -1.7103549 17 Si 3.3995070 0.3302543 0.0953586 0.1759649 3.3575521 -0.0738711 0.2604824 -0.1636623 3.2466127 18 Si 3.5872401 -0.0675771 0.0162950 -0.2218665 3.1698190 0.1195186 0.0114945 0.3074155 3.2466127 19 Si 3.1488415 -0.0312430 -0.1116536 -0.1855324 3.6082176 -0.0456474 -0.2719769 -0.1437532 3.2466127 20 Si 3.1488415 0.0312430 -0.1116536 0.1855324 3.6082176 0.0456474 -0.2719769 0.1437532 3.2466127 21 Si 3.3995070 -0.3302543 0.0953586 -0.1759649 3.3575521 0.0738711 0.2604824 0.1636623 3.2466127 22 Si 3.5872401 0.0675771 0.0162950 0.2218665 3.1698190 -0.1195186 0.0114945 -0.3074155 3.2466127 23 Si 3.2664403 -0.0428213 -0.0068535 0.0144120 3.3603667 0.4868408 -0.0268326 0.1309384 3.3722442 24 Si 3.3245835 0.0191570 -0.4181898 0.0763903 3.3022235 -0.2493557 -0.0999796 -0.0887069 3.3722442 25 Si 3.3491867 -0.0621856 0.4250432 -0.0049523 3.2776203 -0.2374851 0.1268123 -0.0422314 3.3722442 26 Si 3.3491867 0.0621856 0.4250432 0.0049523 3.2776203 0.2374851 0.1268123 0.0422314 3.3722442 27 Si 3.2664403 0.0428213 -0.0068535 -0.0144120 3.3603667 -0.4868408 -0.0268326 -0.1309384 3.3722442 28 Si 3.3245835 -0.0191570 -0.4181898 -0.0763903 3.3022235 0.2493557 -0.0999796 0.0887069 3.3722442 ---------------------------------------------------------------------------- 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: 168/168 Permutation basis: 7140/7140 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1190 Number of blocks in projector: 550 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 536 Use submatrix version of eigh solver. (1) Block: 536 / 536 (2) Block: 250 / 536 (2) 230 eigenvectors found. (2) Block: 536 / 536 (2) 266 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 142 Use standard eigh solver. Tree of FC basis block matrices: - (1190, 1148), data: False |-- (142, 136), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True |-- (536, 516), data: False |-- (536, 516), data: False |-- (536, 20), data: (536, 40) @ (40, 20) |-- (286, 266), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 56 / 56 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 560 - Time: 0.749 Solver_block: 200 / 560 - Time: 0.760 Solver_block: 300 / 560 - Time: 0.753 Solver_block: 400 / 560 - Time: 0.742 Solver_block: 500 / 560 - Time: 0.742 Solver_block: 560 / 560 - Time: 0.462 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.281 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 168/168 Permutation basis: 7140/7140 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1190 Number of blocks in projector: 550 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 536 Use submatrix version of eigh solver. (1) Block: 536 / 536 (2) Block: 250 / 536 (2) 230 eigenvectors found. (2) Block: 536 / 536 (2) 266 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 142 Use standard eigh solver. Tree of FC basis block matrices: - (1190, 1148), data: False |-- (142, 136), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True |-- (536, 516), data: False |-- (536, 516), data: False |-- (536, 20), data: (536, 40) @ (40, 20) |-- (286, 266), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) 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 19:05:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:05:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P31c (159) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.773541872634778 0.000000000000000 0.000000000000000 b -3.886770936317389 6.732084739083775 0.000000000000000 c 0.000000000000000 0.000000000000000 5.634628870000000 Atomic positions (fractional): 1 N 0.61053380055121 0.95477004442460 0.43310663143861 14.007 2 N 0.04522995557540 0.65576375612661 0.43310663143861 14.007 3 N 0.34423624387339 0.38946619944879 0.43310663143861 14.007 4 N 0.95477004442460 0.61053380055121 0.93310663143860 14.007 5 N 0.65576375612661 0.04522995557540 0.93310663143860 14.007 6 N 0.38946619944879 0.34423624387339 0.93310663143860 14.007 7 N 0.31908032207731 0.00401099926642 0.69928560908535 14.007 8 N 0.99598900073358 0.31506932281088 0.69928560908535 14.007 9 N 0.68493067718912 0.68091967792269 0.69928560908535 14.007 10 N 0.00401099926642 0.31908032207731 0.19928560908536 14.007 11 N 0.31506932281088 0.99598900073358 0.19928560908536 14.007 12 N 0.68091967792269 0.68493067718912 0.19928560908536 14.007 13 N 0.66666666666667 0.33333333333333 0.60401091071964 14.007 14 N 0.33333333333333 0.66666666666667 0.10401091071964 14.007 15 N 0.00000000000000 0.00000000000000 0.45382525259840 14.007 16 N 0.00000000000000 0.00000000000000 0.95382525259840 14.007 17 Si 0.51171321431704 0.42924043474528 0.66036354387565 28.085 18 Si 0.57075956525473 0.08247277957176 0.66036354387565 28.085 19 Si 0.91752722042824 0.48828678568296 0.66036354387565 28.085 20 Si 0.42924043474528 0.51171321431704 0.16036354387565 28.085 21 Si 0.08247277957176 0.57075956525473 0.16036354387565 28.085 22 Si 0.48828678568296 0.91752722042824 0.16036354387565 28.085 23 Si 0.16750712641211 0.91408139265955 0.45299882116104 28.085 24 Si 0.08591860734045 0.25342573375256 0.45299882116104 28.085 25 Si 0.74657426624744 0.83249287358789 0.45299882116104 28.085 26 Si 0.91408139265955 0.16750712641211 0.95299882116103 28.085 27 Si 0.25342573375256 0.08591860734045 0.95299882116103 28.085 28 Si 0.83249287358789 0.74657426624744 0.95299882116103 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.773541872634778 0.000000000000000 0.000000000000000 b -3.886770936317389 6.732084739083775 0.000000000000000 c 0.000000000000000 0.000000000000000 11.269257740000000 Atomic positions (fractional): 1 N 0.61053380055121 0.95477004442460 0.21655331571930 14.007 > 1 2 N 0.61053380055121 0.95477004442460 0.71655331571930 14.007 > 1 3 N 0.04522995557540 0.65576375612661 0.21655331571930 14.007 > 3 4 N 0.04522995557540 0.65576375612661 0.71655331571930 14.007 > 3 5 N 0.34423624387339 0.38946619944879 0.21655331571930 14.007 > 5 6 N 0.34423624387339 0.38946619944879 0.71655331571930 14.007 > 5 7 N 0.95477004442460 0.61053380055121 0.46655331571930 14.007 > 7 8 N 0.95477004442460 0.61053380055121 0.96655331571930 14.007 > 7 9 N 0.65576375612661 0.04522995557540 0.46655331571930 14.007 > 9 10 N 0.65576375612661 0.04522995557540 0.96655331571930 14.007 > 9 11 N 0.38946619944879 0.34423624387339 0.46655331571930 14.007 > 11 12 N 0.38946619944879 0.34423624387339 0.96655331571930 14.007 > 11 13 N 0.31908032207731 0.00401099926642 0.34964280454268 14.007 > 13 14 N 0.31908032207731 0.00401099926642 0.84964280454268 14.007 > 13 15 N 0.99598900073358 0.31506932281088 0.34964280454268 14.007 > 15 16 N 0.99598900073358 0.31506932281088 0.84964280454268 14.007 > 15 17 N 0.68493067718912 0.68091967792269 0.34964280454268 14.007 > 17 18 N 0.68493067718912 0.68091967792269 0.84964280454268 14.007 > 17 19 N 0.00401099926642 0.31908032207731 0.09964280454268 14.007 > 19 20 N 0.00401099926642 0.31908032207731 0.59964280454268 14.007 > 19 21 N 0.31506932281088 0.99598900073358 0.09964280454268 14.007 > 21 22 N 0.31506932281088 0.99598900073358 0.59964280454268 14.007 > 21 23 N 0.68091967792269 0.68493067718912 0.09964280454268 14.007 > 23 24 N 0.68091967792269 0.68493067718912 0.59964280454268 14.007 > 23 25 N 0.66666666666667 0.33333333333333 0.30200545535982 14.007 > 25 26 N 0.66666666666667 0.33333333333333 0.80200545535982 14.007 > 25 27 N 0.33333333333333 0.66666666666667 0.05200545535982 14.007 > 27 28 N 0.33333333333333 0.66666666666667 0.55200545535982 14.007 > 27 29 N 0.00000000000000 0.00000000000000 0.22691262629920 14.007 > 29 30 N 0.00000000000000 0.00000000000000 0.72691262629920 14.007 > 29 31 N 0.00000000000000 0.00000000000000 0.47691262629920 14.007 > 31 32 N 0.00000000000000 0.00000000000000 0.97691262629920 14.007 > 31 33 Si 0.51171321431704 0.42924043474528 0.33018177193783 28.085 > 33 34 Si 0.51171321431704 0.42924043474528 0.83018177193783 28.085 > 33 35 Si 0.57075956525473 0.08247277957176 0.33018177193783 28.085 > 35 36 Si 0.57075956525473 0.08247277957176 0.83018177193783 28.085 > 35 37 Si 0.91752722042824 0.48828678568296 0.33018177193783 28.085 > 37 38 Si 0.91752722042824 0.48828678568296 0.83018177193783 28.085 > 37 39 Si 0.42924043474528 0.51171321431704 0.08018177193783 28.085 > 39 40 Si 0.42924043474528 0.51171321431704 0.58018177193783 28.085 > 39 41 Si 0.08247277957176 0.57075956525473 0.08018177193783 28.085 > 41 42 Si 0.08247277957176 0.57075956525473 0.58018177193783 28.085 > 41 43 Si 0.48828678568296 0.91752722042824 0.08018177193783 28.085 > 43 44 Si 0.48828678568296 0.91752722042824 0.58018177193783 28.085 > 43 45 Si 0.16750712641211 0.91408139265955 0.22649941058052 28.085 > 45 46 Si 0.16750712641211 0.91408139265955 0.72649941058052 28.085 > 45 47 Si 0.08591860734045 0.25342573375256 0.22649941058052 28.085 > 47 48 Si 0.08591860734045 0.25342573375256 0.72649941058052 28.085 > 47 49 Si 0.74657426624744 0.83249287358789 0.22649941058052 28.085 > 49 50 Si 0.74657426624744 0.83249287358789 0.72649941058052 28.085 > 49 51 Si 0.91408139265955 0.16750712641211 0.47649941058052 28.085 > 51 52 Si 0.91408139265955 0.16750712641211 0.97649941058052 28.085 > 51 53 Si 0.25342573375256 0.08591860734045 0.47649941058052 28.085 > 53 54 Si 0.25342573375256 0.08591860734045 0.97649941058052 28.085 > 53 55 Si 0.83249287358789 0.74657426624744 0.47649941058052 28.085 > 55 56 Si 0.83249287358789 0.74657426624744 0.97649941058052 28.085 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3372870 0.0000000 0.0000000 0.0000000 4.3372870 0.0000000 0.0000000 0.0000000 4.2799879 -------------------------- Born effective charges -------------------------- 1 N -2.7524992 0.5227869 -0.1549627 0.4829772 -2.0198154 -0.5602234 -0.0732797 -0.5121645 -2.7275099 2 N -1.7674777 0.0857252 0.5626490 0.0459155 -3.0048370 0.1459101 0.4801873 0.1926202 -2.7275099 3 N -2.6384951 -0.5487976 -0.4076863 -0.5886073 -2.1338196 0.4143133 -0.4069076 0.3195443 -2.7275099 4 N -2.6384951 0.5487976 -0.4076863 0.5886073 -2.1338196 -0.4143133 -0.4069076 -0.3195443 -2.7275099 5 N -2.7524992 -0.5227869 -0.1549627 -0.4829772 -2.0198154 0.5602234 -0.0732797 0.5121645 -2.7275099 6 N -1.7674777 -0.0857252 0.5626490 -0.0459155 -3.0048370 -0.1459101 0.4801873 -0.1926202 -2.7275099 7 N -2.7816103 -0.2109336 0.0690088 -0.3083218 -1.9602425 -0.4629009 0.0472555 -0.4217617 -2.8163618 8 N -2.3904286 0.5341707 0.3663795 0.4367825 -2.3514241 0.2912138 0.3416286 0.2518053 -2.8163618 9 N -1.9407402 -0.1771547 -0.4353883 -0.2745429 -2.8011125 0.1716870 -0.3888841 0.1699564 -2.8163618 10 N -1.9407402 0.1771547 -0.4353883 0.2745429 -2.8011125 -0.1716870 -0.3888841 -0.1699564 -2.8163618 11 N -2.7816103 0.2109336 0.0690088 0.3083218 -1.9602425 0.4629009 0.0472555 0.4217617 -2.8163618 12 N -2.3904286 -0.5341707 0.3663795 -0.4367825 -2.3514241 -0.2912138 0.3416286 -0.2518053 -2.8163618 13 N -2.9232477 -0.0680255 -0.0000000 0.0680255 -2.9232477 0.0000000 -0.0000000 0.0000000 -1.5146009 14 N -2.9232477 0.0680255 -0.0000000 -0.0680255 -2.9232477 0.0000000 -0.0000000 0.0000000 -1.5146009 15 N -2.8813003 0.0794422 -0.0000000 -0.0794422 -2.8813003 0.0000000 -0.0000000 0.0000000 -1.7103549 16 N -2.8813003 -0.0794422 -0.0000000 0.0794422 -2.8813003 0.0000000 -0.0000000 0.0000000 -1.7103549 17 Si 3.3995070 0.3302543 0.0953586 0.1759649 3.3575521 -0.0738711 0.2604824 -0.1636623 3.2466127 18 Si 3.5872401 -0.0675771 0.0162950 -0.2218665 3.1698190 0.1195186 0.0114945 0.3074155 3.2466127 19 Si 3.1488415 -0.0312430 -0.1116536 -0.1855324 3.6082176 -0.0456474 -0.2719769 -0.1437532 3.2466127 20 Si 3.1488415 0.0312430 -0.1116536 0.1855324 3.6082176 0.0456474 -0.2719769 0.1437532 3.2466127 21 Si 3.3995070 -0.3302543 0.0953586 -0.1759649 3.3575521 0.0738711 0.2604824 0.1636623 3.2466127 22 Si 3.5872401 0.0675771 0.0162950 0.2218665 3.1698190 -0.1195186 0.0114945 -0.3074155 3.2466127 23 Si 3.2664403 -0.0428213 -0.0068535 0.0144120 3.3603667 0.4868408 -0.0268326 0.1309384 3.3722442 24 Si 3.3245835 0.0191570 -0.4181898 0.0763903 3.3022235 -0.2493557 -0.0999796 -0.0887069 3.3722442 25 Si 3.3491867 -0.0621856 0.4250432 -0.0049523 3.2776203 -0.2374851 0.1268123 -0.0422314 3.3722442 26 Si 3.3491867 0.0621856 0.4250432 0.0049523 3.2776203 0.2374851 0.1268123 0.0422314 3.3722442 27 Si 3.2664403 0.0428213 -0.0068535 -0.0144120 3.3603667 -0.4868408 -0.0268326 -0.1309384 3.3722442 28 Si 3.3245835 -0.0191570 -0.4181898 -0.0763903 3.3022235 0.2493557 -0.0999796 0.0887069 3.3722442 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xy) 0.00000003 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:05:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:05:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P31c (159) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.773541872634778 0.000000000000000 0.000000000000000 b -3.886770936317389 6.732084739083775 0.000000000000000 c 0.000000000000000 0.000000000000000 5.634628870000000 Atomic positions (fractional): 1 N 0.61053380055121 0.95477004442460 0.43310663143861 14.007 2 N 0.04522995557540 0.65576375612661 0.43310663143861 14.007 3 N 0.34423624387339 0.38946619944879 0.43310663143861 14.007 4 N 0.95477004442460 0.61053380055121 0.93310663143860 14.007 5 N 0.65576375612661 0.04522995557540 0.93310663143860 14.007 6 N 0.38946619944879 0.34423624387339 0.93310663143860 14.007 7 N 0.31908032207731 0.00401099926642 0.69928560908535 14.007 8 N 0.99598900073358 0.31506932281088 0.69928560908535 14.007 9 N 0.68493067718912 0.68091967792269 0.69928560908535 14.007 10 N 0.00401099926642 0.31908032207731 0.19928560908536 14.007 11 N 0.31506932281088 0.99598900073358 0.19928560908536 14.007 12 N 0.68091967792269 0.68493067718912 0.19928560908536 14.007 13 N 0.66666666666667 0.33333333333333 0.60401091071964 14.007 14 N 0.33333333333333 0.66666666666667 0.10401091071964 14.007 15 N 0.00000000000000 0.00000000000000 0.45382525259840 14.007 16 N 0.00000000000000 0.00000000000000 0.95382525259840 14.007 17 Si 0.51171321431704 0.42924043474528 0.66036354387565 28.085 18 Si 0.57075956525473 0.08247277957176 0.66036354387565 28.085 19 Si 0.91752722042824 0.48828678568296 0.66036354387565 28.085 20 Si 0.42924043474528 0.51171321431704 0.16036354387565 28.085 21 Si 0.08247277957176 0.57075956525473 0.16036354387565 28.085 22 Si 0.48828678568296 0.91752722042824 0.16036354387565 28.085 23 Si 0.16750712641211 0.91408139265955 0.45299882116104 28.085 24 Si 0.08591860734045 0.25342573375256 0.45299882116104 28.085 25 Si 0.74657426624744 0.83249287358789 0.45299882116104 28.085 26 Si 0.91408139265955 0.16750712641211 0.95299882116103 28.085 27 Si 0.25342573375256 0.08591860734045 0.95299882116103 28.085 28 Si 0.83249287358789 0.74657426624744 0.95299882116103 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.773541872634778 0.000000000000000 0.000000000000000 b -3.886770936317389 6.732084739083775 0.000000000000000 c 0.000000000000000 0.000000000000000 11.269257740000000 Atomic positions (fractional): 1 N 0.61053380055121 0.95477004442460 0.21655331571930 14.007 > 1 2 N 0.61053380055121 0.95477004442460 0.71655331571930 14.007 > 1 3 N 0.04522995557540 0.65576375612661 0.21655331571930 14.007 > 3 4 N 0.04522995557540 0.65576375612661 0.71655331571930 14.007 > 3 5 N 0.34423624387339 0.38946619944879 0.21655331571930 14.007 > 5 6 N 0.34423624387339 0.38946619944879 0.71655331571930 14.007 > 5 7 N 0.95477004442460 0.61053380055121 0.46655331571930 14.007 > 7 8 N 0.95477004442460 0.61053380055121 0.96655331571930 14.007 > 7 9 N 0.65576375612661 0.04522995557540 0.46655331571930 14.007 > 9 10 N 0.65576375612661 0.04522995557540 0.96655331571930 14.007 > 9 11 N 0.38946619944879 0.34423624387339 0.46655331571930 14.007 > 11 12 N 0.38946619944879 0.34423624387339 0.96655331571930 14.007 > 11 13 N 0.31908032207731 0.00401099926642 0.34964280454268 14.007 > 13 14 N 0.31908032207731 0.00401099926642 0.84964280454268 14.007 > 13 15 N 0.99598900073358 0.31506932281088 0.34964280454268 14.007 > 15 16 N 0.99598900073358 0.31506932281088 0.84964280454268 14.007 > 15 17 N 0.68493067718912 0.68091967792269 0.34964280454268 14.007 > 17 18 N 0.68493067718912 0.68091967792269 0.84964280454268 14.007 > 17 19 N 0.00401099926642 0.31908032207731 0.09964280454268 14.007 > 19 20 N 0.00401099926642 0.31908032207731 0.59964280454268 14.007 > 19 21 N 0.31506932281088 0.99598900073358 0.09964280454268 14.007 > 21 22 N 0.31506932281088 0.99598900073358 0.59964280454268 14.007 > 21 23 N 0.68091967792269 0.68493067718912 0.09964280454268 14.007 > 23 24 N 0.68091967792269 0.68493067718912 0.59964280454268 14.007 > 23 25 N 0.66666666666667 0.33333333333333 0.30200545535982 14.007 > 25 26 N 0.66666666666667 0.33333333333333 0.80200545535982 14.007 > 25 27 N 0.33333333333333 0.66666666666667 0.05200545535982 14.007 > 27 28 N 0.33333333333333 0.66666666666667 0.55200545535982 14.007 > 27 29 N 0.00000000000000 0.00000000000000 0.22691262629920 14.007 > 29 30 N 0.00000000000000 0.00000000000000 0.72691262629920 14.007 > 29 31 N 0.00000000000000 0.00000000000000 0.47691262629920 14.007 > 31 32 N 0.00000000000000 0.00000000000000 0.97691262629920 14.007 > 31 33 Si 0.51171321431704 0.42924043474528 0.33018177193783 28.085 > 33 34 Si 0.51171321431704 0.42924043474528 0.83018177193783 28.085 > 33 35 Si 0.57075956525473 0.08247277957176 0.33018177193783 28.085 > 35 36 Si 0.57075956525473 0.08247277957176 0.83018177193783 28.085 > 35 37 Si 0.91752722042824 0.48828678568296 0.33018177193783 28.085 > 37 38 Si 0.91752722042824 0.48828678568296 0.83018177193783 28.085 > 37 39 Si 0.42924043474528 0.51171321431704 0.08018177193783 28.085 > 39 40 Si 0.42924043474528 0.51171321431704 0.58018177193783 28.085 > 39 41 Si 0.08247277957176 0.57075956525473 0.08018177193783 28.085 > 41 42 Si 0.08247277957176 0.57075956525473 0.58018177193783 28.085 > 41 43 Si 0.48828678568296 0.91752722042824 0.08018177193783 28.085 > 43 44 Si 0.48828678568296 0.91752722042824 0.58018177193783 28.085 > 43 45 Si 0.16750712641211 0.91408139265955 0.22649941058052 28.085 > 45 46 Si 0.16750712641211 0.91408139265955 0.72649941058052 28.085 > 45 47 Si 0.08591860734045 0.25342573375256 0.22649941058052 28.085 > 47 48 Si 0.08591860734045 0.25342573375256 0.72649941058052 28.085 > 47 49 Si 0.74657426624744 0.83249287358789 0.22649941058052 28.085 > 49 50 Si 0.74657426624744 0.83249287358789 0.72649941058052 28.085 > 49 51 Si 0.91408139265955 0.16750712641211 0.47649941058052 28.085 > 51 52 Si 0.91408139265955 0.16750712641211 0.97649941058052 28.085 > 51 53 Si 0.25342573375256 0.08591860734045 0.47649941058052 28.085 > 53 54 Si 0.25342573375256 0.08591860734045 0.97649941058052 28.085 > 53 55 Si 0.83249287358789 0.74657426624744 0.47649941058052 28.085 > 55 56 Si 0.83249287358789 0.74657426624744 0.97649941058052 28.085 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3372870 0.0000000 0.0000000 0.0000000 4.3372870 0.0000000 0.0000000 0.0000000 4.2799879 -------------------------- Born effective charges -------------------------- 1 N -2.7524992 0.5227869 -0.1549627 0.4829772 -2.0198154 -0.5602234 -0.0732797 -0.5121645 -2.7275099 2 N -1.7674777 0.0857252 0.5626490 0.0459155 -3.0048370 0.1459101 0.4801873 0.1926202 -2.7275099 3 N -2.6384951 -0.5487976 -0.4076863 -0.5886073 -2.1338196 0.4143133 -0.4069076 0.3195443 -2.7275099 4 N -2.6384951 0.5487976 -0.4076863 0.5886073 -2.1338196 -0.4143133 -0.4069076 -0.3195443 -2.7275099 5 N -2.7524992 -0.5227869 -0.1549627 -0.4829772 -2.0198154 0.5602234 -0.0732797 0.5121645 -2.7275099 6 N -1.7674777 -0.0857252 0.5626490 -0.0459155 -3.0048370 -0.1459101 0.4801873 -0.1926202 -2.7275099 7 N -2.7816103 -0.2109336 0.0690088 -0.3083218 -1.9602425 -0.4629009 0.0472555 -0.4217617 -2.8163618 8 N -2.3904286 0.5341707 0.3663795 0.4367825 -2.3514241 0.2912138 0.3416286 0.2518053 -2.8163618 9 N -1.9407402 -0.1771547 -0.4353883 -0.2745429 -2.8011125 0.1716870 -0.3888841 0.1699564 -2.8163618 10 N -1.9407402 0.1771547 -0.4353883 0.2745429 -2.8011125 -0.1716870 -0.3888841 -0.1699564 -2.8163618 11 N -2.7816103 0.2109336 0.0690088 0.3083218 -1.9602425 0.4629009 0.0472555 0.4217617 -2.8163618 12 N -2.3904286 -0.5341707 0.3663795 -0.4367825 -2.3514241 -0.2912138 0.3416286 -0.2518053 -2.8163618 13 N -2.9232477 -0.0680255 -0.0000000 0.0680255 -2.9232477 0.0000000 -0.0000000 0.0000000 -1.5146009 14 N -2.9232477 0.0680255 -0.0000000 -0.0680255 -2.9232477 0.0000000 -0.0000000 0.0000000 -1.5146009 15 N -2.8813003 0.0794422 -0.0000000 -0.0794422 -2.8813003 0.0000000 -0.0000000 0.0000000 -1.7103549 16 N -2.8813003 -0.0794422 -0.0000000 0.0794422 -2.8813003 0.0000000 -0.0000000 0.0000000 -1.7103549 17 Si 3.3995070 0.3302543 0.0953586 0.1759649 3.3575521 -0.0738711 0.2604824 -0.1636623 3.2466127 18 Si 3.5872401 -0.0675771 0.0162950 -0.2218665 3.1698190 0.1195186 0.0114945 0.3074155 3.2466127 19 Si 3.1488415 -0.0312430 -0.1116536 -0.1855324 3.6082176 -0.0456474 -0.2719769 -0.1437532 3.2466127 20 Si 3.1488415 0.0312430 -0.1116536 0.1855324 3.6082176 0.0456474 -0.2719769 0.1437532 3.2466127 21 Si 3.3995070 -0.3302543 0.0953586 -0.1759649 3.3575521 0.0738711 0.2604824 0.1636623 3.2466127 22 Si 3.5872401 0.0675771 0.0162950 0.2218665 3.1698190 -0.1195186 0.0114945 -0.3074155 3.2466127 23 Si 3.2664403 -0.0428213 -0.0068535 0.0144120 3.3603667 0.4868408 -0.0268326 0.1309384 3.3722442 24 Si 3.3245835 0.0191570 -0.4181898 0.0763903 3.3022235 -0.2493557 -0.0999796 -0.0887069 3.3722442 25 Si 3.3491867 -0.0621856 0.4250432 -0.0049523 3.2776203 -0.2374851 0.1268123 -0.0422314 3.3722442 26 Si 3.3491867 0.0621856 0.4250432 0.0049523 3.2776203 0.2374851 0.1268123 0.0422314 3.3722442 27 Si 3.2664403 0.0428213 -0.0068535 -0.0144120 3.3603667 -0.4868408 -0.0268326 -0.1309384 3.3722442 28 Si 3.3245835 -0.0191570 -0.4181898 -0.0763903 3.3022235 0.2493557 -0.0999796 0.0887069 3.3722442 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 295, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 56 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 5.724 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.652 ( -0.000 0.000 -0.000) 0.000 8.019 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 -0.000) 0.000 8.414 ( -0.000 0.000 -0.000) 0.000 8.600 ( 0.000 0.000 -0.000) 0.000 8.713 ( 0.000 0.000 -0.000) 0.000 8.713 ( 0.000 0.000 0.000) 0.000 9.960 ( 0.000 0.000 -0.000) 0.000 9.960 ( 0.000 0.000 0.000) 0.000 10.132 ( 0.000 0.000 0.000) 0.000 10.132 ( 0.000 0.000 -0.000) 0.000 10.312 ( 0.000 0.000 0.000) 0.000 10.636 ( 0.000 0.000 0.000) 0.000 10.636 ( 0.000 0.000 0.000) 0.000 10.716 ( 0.000 0.000 0.000) 0.000 11.494 ( 0.000 0.000 -0.000) 0.000 11.494 ( 0.000 0.000 0.000) 0.000 11.517 ( 0.000 0.000 0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 12.527 ( 0.000 0.000 0.000) 0.000 12.949 ( -0.000 0.000 0.000) 0.000 13.185 ( 0.000 0.000 -0.000) 0.000 13.185 ( 0.000 0.000 0.000) 0.000 14.019 ( 0.000 0.000 0.000) 0.000 14.019 ( 0.000 0.000 -0.000) 0.000 14.421 ( 0.000 -0.000 0.000) 0.000 14.833 ( 0.000 -0.000 -0.000) 0.000 15.808 ( -0.000 0.000 -0.000) 0.000 16.435 ( 0.000 0.000 0.000) 0.000 16.483 ( 0.000 0.000 -0.000) 0.000 16.483 ( 0.000 0.000 0.000) 0.000 17.476 ( 0.000 0.000 0.000) 0.000 17.476 ( 0.000 0.000 -0.000) 0.000 17.963 ( 0.000 0.000 0.000) 0.000 19.667 ( 0.000 0.000 0.000) 0.000 19.905 ( 0.000 0.000 0.000) 0.000 19.905 ( 0.000 0.000 0.000) 0.000 20.152 ( 0.000 0.000 -0.000) 0.000 20.302 ( 0.000 0.000 0.000) 0.000 20.302 ( 0.000 0.000 0.000) 0.000 20.433 ( -0.000 0.000 0.000) 0.000 20.855 ( 0.000 0.000 -0.000) 0.000 25.118 ( 0.000 0.000 -0.000) 0.000 25.118 ( 0.000 0.000 0.000) 0.000 25.214 ( -0.000 0.000 -0.000) 0.000 25.591 ( 0.000 0.000 0.000) 0.000 25.591 ( 0.000 0.000 -0.000) 0.000 25.775 ( 0.000 0.000 -0.000) 0.000 25.775 ( 0.000 0.000 0.000) 0.000 26.127 ( 0.000 0.000 0.000) 0.000 26.127 ( 0.000 -0.000 -0.000) 0.000 26.388 ( 0.000 0.000 0.000) 0.000 26.474 ( -0.000 0.000 -0.000) 0.000 26.838 ( 0.000 0.000 0.000) 0.000 26.838 ( 0.000 0.000 -0.000) 0.000 26.863 ( 0.000 0.000 -0.000) 0.000 27.103 ( 0.000 0.000 0.000) 0.000 27.103 ( 0.000 0.000 0.000) 0.000 27.370 ( 0.000 0.000 -0.000) 0.000 27.370 ( 0.000 0.000 0.000) 0.000 27.480 ( 0.000 0.000 0.000) 0.000 27.480 ( 0.000 0.000 0.000) 0.000 27.997 ( -0.000 -0.000 0.000) 0.000 28.116 ( 0.000 0.000 -0.000) 0.000 28.116 ( 0.000 0.000 0.000) 0.000 28.748 ( 0.000 0.000 0.000) 0.000 28.748 ( 0.000 0.000 0.000) 0.000 29.141 ( -0.000 0.000 -0.000) 0.000 29.880 ( -0.000 0.000 0.000) 0.000 30.042 ( 0.000 0.000 -0.000) 0.000 30.148 ( 0.000 0.000 0.000) 0.000 30.148 ( 0.000 0.000 0.000) 0.000 30.427 ( 0.000 0.000 0.000) 0.000 30.427 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 42.032 24.267 0.000) 48.534 1.243 ( 50.779 29.317 0.000) 58.634 2.190 ( 88.060 50.841 0.000) 101.682 5.595 ( -10.725 -6.192 0.000) 12.385 5.645 ( -5.465 -3.155 0.000) 6.311 6.305 ( -19.354 -11.174 0.000) 22.348 6.610 ( 6.556 3.785 0.000) 7.570 6.811 ( 11.729 6.772 0.000) 13.544 7.323 ( -8.272 -4.776 0.000) 9.551 7.697 ( 2.710 1.564 0.000) 3.129 7.869 ( -15.694 -9.061 0.000) 18.122 8.010 ( -2.944 -1.699 0.000) 3.399 8.281 ( -3.524 -2.035 0.000) 4.069 8.399 ( 0.721 0.416 0.000) 0.833 8.775 ( -7.697 -4.444 0.000) 8.888 8.928 ( 8.002 4.620 0.000) 9.240 9.671 ( -13.542 -7.819 0.000) 15.637 9.876 ( -7.210 -4.163 0.000) 8.326 9.947 ( -12.796 -7.388 0.000) 14.776 10.154 ( -5.022 -2.899 0.000) 5.799 10.280 ( -6.904 -3.986 0.000) 7.972 10.585 ( 1.832 1.058 0.000) 2.115 10.766 ( -1.598 -0.923 0.000) 1.845 10.927 ( 7.145 4.125 0.000) 8.251 11.453 ( -7.084 -4.090 0.000) 8.180 11.576 ( 0.015 0.008 0.000) 0.017 11.663 ( 6.638 3.833 0.000) 7.665 11.877 ( -1.470 -0.849 0.000) 1.697 12.308 ( 4.062 2.345 0.000) 4.691 12.709 ( -11.293 -6.520 0.000) 13.040 12.948 ( -15.440 -8.914 0.000) 17.828 13.167 ( 30.173 17.420 0.000) 34.841 13.275 ( 2.058 1.188 0.000) 2.376 14.223 ( 10.325 5.961 0.000) 11.922 14.312 ( -9.880 -5.704 0.000) 11.408 14.545 ( -11.466 -6.620 0.000) 13.240 15.013 ( 12.798 7.389 0.000) 14.778 15.390 ( -32.978 -19.040 0.000) 38.080 15.736 ( -19.888 -11.482 0.000) 22.964 16.230 ( 0.445 0.257 0.000) 0.514 16.885 ( 17.724 10.233 0.000) 20.466 17.853 ( 13.485 7.785 0.000) 15.571 17.978 ( 6.897 3.982 0.000) 7.964 18.208 ( 34.645 20.002 0.000) 40.005 19.673 ( -8.254 -4.765 0.000) 9.530 19.884 ( -0.723 -0.418 0.000) 0.835 19.947 ( 5.601 3.234 0.000) 6.468 20.163 ( 1.987 1.147 0.000) 2.295 20.267 ( -3.074 -1.775 0.000) 3.549 20.327 ( -0.499 -0.288 0.000) 0.576 20.386 ( 1.661 0.959 0.000) 1.918 20.809 ( -3.243 -1.872 0.000) 3.745 25.135 ( 1.306 0.754 0.000) 1.508 25.226 ( 0.873 0.504 0.000) 1.008 25.478 ( 0.862 0.497 0.000) 0.995 25.649 ( 4.362 2.518 0.000) 5.037 25.784 ( 1.265 0.730 0.000) 1.460 25.804 ( 2.128 1.229 0.000) 2.457 25.955 ( 2.461 1.421 0.000) 2.841 26.108 ( -1.318 -0.761 0.000) 1.522 26.392 ( 0.104 0.060 0.000) 0.120 26.475 ( 0.018 0.011 0.000) 0.021 26.708 ( -0.439 -0.254 0.000) 0.507 26.787 ( -5.381 -3.107 0.000) 6.214 26.862 ( 1.662 0.959 0.000) 1.919 27.035 ( 0.621 0.358 0.000) 0.717 27.120 ( 1.308 0.755 0.000) 1.511 27.172 ( 0.956 0.552 0.000) 1.103 27.374 ( 0.213 0.123 0.000) 0.246 27.412 ( 2.505 1.446 0.000) 2.892 27.522 ( 3.784 2.185 0.000) 4.369 27.996 ( -0.255 -0.147 0.000) 0.294 28.059 ( -0.744 -0.429 0.000) 0.859 28.092 ( -1.736 -1.002 0.000) 2.005 28.705 ( -2.858 -1.650 0.000) 3.301 28.730 ( -1.647 -0.951 0.000) 1.902 29.046 ( -7.037 -4.063 0.000) 8.126 29.595 ( -13.918 -8.035 0.000) 16.071 29.977 ( -10.020 -5.785 0.000) 11.571 30.009 ( -2.378 -1.373 0.000) 2.746 30.211 ( 1.990 1.149 0.000) 2.298 30.552 ( 6.883 3.974 0.000) 7.948 30.699 ( 18.473 10.665 0.000) 21.330 32.851 ( -6.864 -3.963 0.000) 7.926 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 41.370 23.885 0.000) 47.770 2.456 ( 47.912 27.662 0.000) 55.324 4.243 ( 72.011 41.576 0.000) 83.151 5.217 ( -14.685 -8.478 0.000) 16.956 5.472 ( -12.628 -7.291 0.000) 14.582 5.730 ( -20.783 -11.999 0.000) 23.998 6.754 ( -1.332 -0.769 0.000) 1.538 7.063 ( 6.862 3.962 0.000) 7.924 7.149 ( -9.634 -5.562 0.000) 11.125 7.278 ( -7.722 -4.458 0.000) 8.917 7.845 ( -1.542 -0.890 0.000) 1.780 8.101 ( 10.080 5.819 0.000) 11.639 8.304 ( -1.148 -0.663 0.000) 1.325 8.408 ( 1.257 0.726 0.000) 1.451 8.521 ( -5.273 -3.044 0.000) 6.089 8.984 ( -3.484 -2.011 0.000) 4.023 9.413 ( -11.950 -6.899 0.000) 13.798 9.645 ( -5.630 -3.251 0.000) 6.501 9.705 ( -9.704 -5.603 0.000) 11.206 9.879 ( -13.976 -8.069 0.000) 16.138 10.061 ( -14.154 -8.172 0.000) 16.343 10.617 ( 0.187 0.108 0.000) 0.216 10.764 ( -0.615 -0.355 0.000) 0.711 10.942 ( -5.975 -3.449 0.000) 6.899 11.191 ( -6.716 -3.877 0.000) 7.755 11.565 ( -4.941 -2.853 0.000) 5.705 11.652 ( -1.772 -1.023 0.000) 2.046 12.068 ( 9.411 5.434 0.000) 10.867 12.335 ( -0.409 -0.236 0.000) 0.472 12.645 ( -6.183 -3.570 0.000) 7.139 12.745 ( 10.428 6.020 0.000) 12.041 13.201 ( -6.280 -3.626 0.000) 7.252 13.597 ( -32.492 -18.759 0.000) 37.518 13.835 ( 10.413 6.012 0.000) 12.024 14.151 ( -10.035 -5.794 0.000) 11.588 14.439 ( 4.862 2.807 0.000) 5.614 15.079 ( -16.287 -9.403 0.000) 18.807 15.170 ( 3.897 2.250 0.000) 4.500 15.421 ( 13.076 7.549 0.000) 15.099 16.692 ( 27.942 16.132 0.000) 32.264 17.313 ( 14.281 8.245 0.000) 16.490 17.993 ( 6.511 3.759 0.000) 7.518 18.310 ( 13.799 7.967 0.000) 15.934 18.774 ( 8.611 4.972 0.000) 9.943 19.344 ( -15.642 -9.031 0.000) 18.062 19.789 ( -9.916 -5.725 0.000) 11.450 19.928 ( -4.284 -2.474 0.000) 4.947 20.063 ( -3.942 -2.276 0.000) 4.552 20.199 ( -2.799 -1.616 0.000) 3.232 20.462 ( 1.414 0.816 0.000) 1.633 20.695 ( 22.965 13.259 0.000) 26.517 20.760 ( 1.597 0.922 0.000) 1.844 25.170 ( 1.310 0.757 0.000) 1.513 25.253 ( 1.217 0.703 0.000) 1.405 25.505 ( 1.264 0.729 0.000) 1.459 25.760 ( 3.267 1.886 0.000) 3.772 25.849 ( 1.499 0.865 0.000) 1.731 25.870 ( 6.244 3.605 0.000) 7.210 26.048 ( 4.830 2.788 0.000) 5.577 26.076 ( -0.979 -0.565 0.000) 1.131 26.374 ( -1.941 -1.121 0.000) 2.241 26.477 ( 0.114 0.066 0.000) 0.132 26.618 ( -7.017 -4.051 0.000) 8.102 26.683 ( -2.304 -1.330 0.000) 2.661 26.912 ( 2.121 1.225 0.000) 2.449 27.068 ( 1.774 1.024 0.000) 2.048 27.162 ( 2.047 1.182 0.000) 2.364 27.204 ( 1.413 0.816 0.000) 1.632 27.378 ( 0.082 0.047 0.000) 0.094 27.483 ( 3.768 2.176 0.000) 4.351 27.655 ( 6.433 3.714 0.000) 7.428 27.952 ( -4.022 -2.322 0.000) 4.644 28.026 ( -2.051 -1.184 0.000) 2.368 28.072 ( 0.909 0.525 0.000) 1.049 28.583 ( -6.898 -3.983 0.000) 7.965 28.644 ( -5.940 -3.429 0.000) 6.858 28.870 ( -5.495 -3.172 0.000) 6.345 29.331 ( -7.054 -4.073 0.000) 8.146 29.739 ( -8.567 -4.946 0.000) 9.892 29.948 ( -2.334 -1.348 0.000) 2.696 30.227 ( -0.333 -0.192 0.000) 0.384 30.692 ( 4.246 2.451 0.000) 4.903 31.190 ( 20.574 11.878 0.000) 23.757 32.610 ( -12.516 -7.226 0.000) 14.452 ======================= Grid point 3 (4/56) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 32.128 18.549 0.000) 37.098 3.557 ( 40.165 23.189 0.000) 46.378 4.332 ( -28.789 -16.621 0.000) 33.242 4.786 ( -30.994 -17.895 0.000) 35.789 5.559 ( -0.417 -0.241 0.000) 0.481 6.146 ( 41.040 23.695 0.000) 47.389 6.679 ( -11.342 -6.548 0.000) 13.096 6.711 ( 7.556 4.363 0.000) 8.725 7.367 ( 5.118 2.955 0.000) 5.910 7.386 ( 8.136 4.698 0.000) 9.395 7.847 ( 4.932 2.847 0.000) 5.695 8.081 ( -3.307 -1.909 0.000) 3.819 8.341 ( 0.551 0.318 0.000) 0.636 8.465 ( -0.967 -0.558 0.000) 1.117 8.619 ( -3.530 -2.038 0.000) 4.076 8.776 ( -4.301 -2.483 0.000) 4.967 9.049 ( -13.985 -8.074 0.000) 16.148 9.225 ( -26.100 -15.069 0.000) 30.138 9.461 ( -5.254 -3.034 0.000) 6.067 9.603 ( -1.046 -0.604 0.000) 1.207 9.945 ( 2.100 1.212 0.000) 2.425 10.638 ( -0.797 -0.460 0.000) 0.920 10.681 ( -2.074 -1.197 0.000) 2.395 10.906 ( 4.068 2.349 0.000) 4.697 11.059 ( -6.242 -3.604 0.000) 7.207 11.337 ( -7.965 -4.599 0.000) 9.198 11.730 ( 5.442 3.142 0.000) 6.284 12.260 ( 2.632 1.520 0.000) 3.040 12.330 ( 2.227 1.286 0.000) 2.572 12.459 ( -8.638 -4.987 0.000) 9.974 12.978 ( -0.221 -0.127 0.000) 0.255 13.013 ( -3.040 -1.755 0.000) 3.511 13.202 ( 2.552 1.474 0.000) 2.947 13.706 ( -10.054 -5.804 0.000) 11.609 14.024 ( -4.064 -2.346 0.000) 4.693 14.478 ( -0.583 -0.336 0.000) 0.673 15.062 ( 8.311 4.798 0.000) 9.597 15.230 ( -0.605 -0.349 0.000) 0.699 15.707 ( 7.352 4.245 0.000) 8.490 17.341 ( 18.909 10.917 0.000) 21.835 17.529 ( 5.055 2.918 0.000) 5.837 18.193 ( 6.015 3.473 0.000) 6.946 18.557 ( 2.767 1.598 0.000) 3.195 18.728 ( -4.724 -2.727 0.000) 5.455 19.046 ( -5.777 -3.335 0.000) 6.670 19.505 ( -8.887 -5.131 0.000) 10.262 19.782 ( -5.844 -3.374 0.000) 6.748 20.013 ( -0.884 -0.510 0.000) 1.020 20.237 ( 4.306 2.486 0.000) 4.972 20.404 ( -4.230 -2.442 0.000) 4.884 20.853 ( 3.636 2.099 0.000) 4.198 21.151 ( 10.679 6.166 0.000) 12.331 25.192 ( 0.448 0.259 0.000) 0.517 25.277 ( 0.596 0.344 0.000) 0.688 25.534 ( 0.833 0.481 0.000) 0.961 25.789 ( -0.099 -0.057 0.000) 0.114 25.896 ( 1.874 1.082 0.000) 2.164 26.035 ( 1.685 0.973 0.000) 1.945 26.067 ( 4.999 2.886 0.000) 5.773 26.170 ( 2.716 1.568 0.000) 3.136 26.295 ( -3.258 -1.881 0.000) 3.762 26.449 ( -4.504 -2.600 0.000) 5.201 26.481 ( -0.986 -0.569 0.000) 1.139 26.638 ( -0.985 -0.568 0.000) 1.137 26.952 ( 0.934 0.539 0.000) 1.079 27.101 ( 0.722 0.417 0.000) 0.834 27.210 ( 1.459 0.842 0.000) 1.684 27.227 ( 0.296 0.171 0.000) 0.341 27.378 ( -0.009 -0.005 0.000) 0.010 27.604 ( 5.548 3.203 0.000) 6.406 27.798 ( 0.465 0.269 0.000) 0.537 27.835 ( -0.393 -0.227 0.000) 0.453 27.955 ( -3.745 -2.162 0.000) 4.325 28.120 ( 2.164 1.249 0.000) 2.498 28.424 ( -4.610 -2.662 0.000) 5.323 28.483 ( -4.884 -2.820 0.000) 5.640 28.795 ( -1.264 -0.730 0.000) 1.460 29.236 ( -1.476 -0.852 0.000) 1.704 29.587 ( -3.373 -1.947 0.000) 3.895 29.906 ( -0.923 -0.533 0.000) 1.066 30.212 ( -0.545 -0.315 0.000) 0.629 30.759 ( 1.331 0.768 0.000) 1.537 31.662 ( 16.075 9.281 0.000) 18.562 32.271 ( -13.363 -7.715 0.000) 15.430 ======================= Grid point 8 (5/56) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 25.416 44.022 11.137) 52.038 2.134 ( 28.110 48.688 1.590) 56.243 3.721 ( 46.953 81.325 -6.023) 94.099 5.415 ( -6.480 -11.223 0.755) 12.981 5.474 ( -6.259 -10.841 -0.923) 12.552 6.135 ( -10.582 -18.329 4.707) 21.682 6.229 ( -8.118 -14.061 -4.796) 16.930 7.083 ( -3.626 -6.280 3.054) 7.868 7.364 ( -15.986 -27.689 1.419) 32.004 7.399 ( 14.090 24.405 -2.428) 28.284 7.877 ( 6.010 10.410 -2.948) 12.377 7.955 ( -1.383 -2.396 2.852) 3.973 8.366 ( 1.194 2.068 1.069) 2.617 8.380 ( 1.460 2.528 -0.822) 3.033 8.607 ( -5.979 -10.357 5.364) 13.107 8.973 ( -0.186 -0.322 -9.099) 9.107 9.491 ( -4.182 -7.244 -5.762) 10.157 9.623 ( -8.593 -14.883 -6.846) 18.499 9.905 ( 0.104 0.179 4.351) 4.356 9.910 ( -9.887 -17.125 14.507) 24.525 10.166 ( -4.135 -7.161 -1.911) 8.487 10.454 ( -5.419 -9.386 -4.198) 11.623 10.846 ( 0.106 0.184 0.192) 0.286 10.959 ( -2.100 -3.637 -13.680) 14.310 11.266 ( -7.007 -12.136 4.759) 14.800 11.620 ( 1.882 3.260 12.953) 13.489 11.765 ( 2.041 3.534 -2.178) 4.626 11.784 ( -0.111 -0.192 -9.819) 9.821 12.582 ( 3.533 6.119 5.204) 8.775 12.597 ( 2.847 4.931 -0.107) 5.695 12.819 ( -2.554 -4.423 3.920) 6.438 12.993 ( -7.484 -12.962 0.061) 14.968 13.675 ( 13.201 22.865 -0.178) 26.403 13.774 ( -26.531 -45.952 2.705) 53.130 14.248 ( -7.142 -12.370 -4.546) 14.990 14.430 ( 4.902 8.490 -5.229) 11.111 15.218 ( 5.902 10.223 -1.973) 11.968 15.254 ( 2.724 4.718 7.618) 9.366 15.517 ( -2.096 -3.630 5.697) 7.073 16.638 ( 12.354 21.398 -5.932) 25.411 16.760 ( 1.443 2.499 -3.821) 4.788 17.954 ( 2.064 3.575 8.978) 9.881 18.542 ( 9.768 16.919 -2.356) 19.678 18.542 ( 13.032 22.571 0.875) 26.078 19.550 ( -6.460 -11.190 -3.339) 13.345 19.674 ( -4.665 -8.080 2.226) 9.591 19.959 ( -3.001 -5.198 2.288) 6.424 20.094 ( -5.669 -9.820 4.420) 12.170 20.312 ( -1.691 -2.929 -4.971) 6.013 20.414 ( 4.673 8.094 1.527) 9.470 20.544 ( 12.541 21.721 -2.026) 25.163 20.747 ( -1.802 -3.120 -2.308) 4.279 25.168 ( 1.159 2.007 -1.506) 2.764 25.243 ( 0.646 1.118 0.418) 1.357 25.500 ( 0.817 1.415 1.378) 2.137 25.726 ( 2.039 3.531 -0.963) 4.190 25.836 ( 2.727 4.724 1.071) 5.559 25.841 ( 1.496 2.590 1.567) 3.377 26.018 ( 2.342 4.056 -3.744) 5.996 26.081 ( -0.816 -1.413 0.506) 1.708 26.391 ( -0.319 -0.552 -0.401) 0.753 26.471 ( -0.259 -0.449 -0.050) 0.521 26.665 ( -4.219 -7.308 0.271) 8.443 26.688 ( -1.064 -1.843 -1.924) 2.869 26.914 ( 1.745 3.023 0.641) 3.549 27.052 ( 0.870 1.507 2.136) 2.755 27.152 ( 1.132 1.961 -0.937) 2.450 27.193 ( 0.846 1.465 1.766) 2.445 27.382 ( -0.366 -0.634 2.642) 2.742 27.442 ( 1.976 3.423 1.553) 4.246 27.624 ( 3.635 6.296 -5.550) 9.146 27.979 ( -0.934 -1.617 1.419) 2.345 28.045 ( -1.692 -2.930 -2.649) 4.297 28.059 ( 0.118 0.204 2.847) 2.857 28.640 ( -2.704 -4.684 -1.250) 5.551 28.660 ( -3.520 -6.097 2.603) 7.506 28.909 ( -4.229 -7.325 1.104) 8.529 29.389 ( -4.684 -8.113 -1.715) 9.524 29.857 ( -4.416 -7.649 -1.372) 8.939 29.968 ( -1.437 -2.489 -0.195) 2.881 30.078 ( -3.925 -6.799 -4.359) 8.980 30.875 ( 7.756 13.433 2.482) 15.708 30.926 ( 9.497 16.449 1.210) 19.032 32.686 ( -6.569 -11.377 0.666) 13.154 ======================= Grid point 9 (6/56) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 28.386 41.572 8.164) 50.997 3.181 ( 33.753 37.947 1.498) 50.808 4.733 ( -20.644 -2.379 0.265) 20.782 5.185 ( -19.380 -13.545 2.015) 23.730 5.539 ( -7.532 -1.485 -1.074) 7.751 5.681 ( 33.146 37.657 -2.795) 50.244 6.191 ( 23.690 -30.765 3.383) 38.976 6.805 ( -13.642 -12.508 1.907) 18.606 6.992 ( 4.219 -12.258 -0.889) 12.995 7.721 ( -4.549 7.875 -5.782) 10.777 7.954 ( -2.927 19.125 -1.049) 19.376 8.181 ( 8.237 7.575 -4.967) 12.244 8.320 ( -3.396 1.556 2.737) 4.631 8.476 ( 1.411 5.088 -1.733) 5.557 8.560 ( 8.598 6.403 1.623) 10.843 8.911 ( -7.025 -2.204 -5.005) 8.903 9.263 ( -11.222 -5.565 -3.091) 12.902 9.389 ( -8.644 -17.290 -8.443) 21.094 9.567 ( -5.288 -5.890 4.115) 8.922 9.757 ( -31.301 -9.954 8.594) 33.951 9.930 ( 3.120 -3.047 3.651) 5.687 10.258 ( 9.460 -24.897 -2.196) 26.725 10.725 ( -9.491 -13.006 5.842) 17.128 10.843 ( 1.799 -4.118 -0.738) 4.554 11.141 ( 0.045 0.344 -4.946) 4.958 11.571 ( -13.753 2.503 -12.866) 18.999 11.680 ( 0.844 5.588 -0.577) 5.680 12.040 ( 16.122 -1.951 1.074) 16.275 12.387 ( -6.314 -9.946 0.680) 11.800 12.578 ( -8.206 -24.123 -1.692) 25.537 12.762 ( -6.500 -8.277 18.000) 20.851 13.010 ( 12.264 8.805 3.027) 15.398 13.134 ( -4.510 -0.171 1.944) 4.914 13.903 ( -11.504 -0.558 -4.265) 12.282 14.119 ( 8.131 0.553 -5.762) 9.981 14.529 ( -1.597 3.537 -7.436) 8.388 15.261 ( -10.327 19.424 3.965) 22.353 15.392 ( -5.086 13.690 2.436) 14.806 15.594 ( 8.223 6.391 8.802) 13.636 16.934 ( 20.462 -4.080 -5.036) 21.464 17.222 ( 22.691 5.485 -7.378) 24.483 18.113 ( 8.098 8.740 13.686) 18.146 18.693 ( -3.241 11.734 -7.183) 14.134 18.785 ( -2.046 -2.585 -5.499) 6.412 19.205 ( -15.255 -5.609 3.958) 16.729 19.621 ( 1.858 -7.764 5.629) 9.768 19.765 ( -9.346 -5.206 7.180) 12.884 19.941 ( 0.115 -9.651 7.337) 12.124 20.283 ( 0.162 5.906 -7.615) 9.639 20.520 ( -4.941 6.676 -3.437) 8.989 20.755 ( 7.530 -1.260 -3.985) 8.612 21.002 ( 12.900 12.168 -1.971) 17.842 25.206 ( 0.175 2.283 -1.234) 2.601 25.269 ( 0.882 0.699 -0.382) 1.188 25.530 ( 0.682 1.390 2.476) 2.920 25.779 ( 1.345 0.668 -2.517) 2.931 25.893 ( 1.017 2.769 1.224) 3.194 25.977 ( 4.653 4.501 -0.744) 6.516 26.066 ( 0.360 1.622 2.028) 2.621 26.123 ( 4.431 3.472 -4.374) 7.128 26.346 ( -3.667 -1.689 -1.663) 4.366 26.456 ( 0.107 -2.328 0.292) 2.349 26.504 ( -4.639 -5.898 1.957) 7.754 26.641 ( -1.115 -2.153 -2.540) 3.512 26.971 ( 0.293 3.625 2.562) 4.449 27.090 ( 1.265 0.848 2.476) 2.907 27.197 ( 1.413 1.835 -1.483) 2.751 27.225 ( 0.722 1.086 1.180) 1.759 27.368 ( 0.053 -0.950 1.225) 1.551 27.549 ( 4.745 4.789 2.671) 7.251 27.763 ( 4.090 5.344 -4.788) 8.259 27.904 ( -5.102 -1.999 2.106) 5.870 27.982 ( -1.844 -2.750 -1.621) 3.687 28.082 ( 2.273 0.467 2.659) 3.529 28.466 ( -6.504 -8.838 3.337) 11.470 28.536 ( -3.736 -3.255 0.823) 5.023 28.786 ( -1.803 -4.870 1.941) 5.544 29.299 ( -2.175 2.036 -4.401) 5.314 29.658 ( -8.338 -3.449 -5.543) 10.590 29.923 ( -1.247 -0.910 2.433) 2.881 29.991 ( 6.137 -15.428 -5.944) 17.636 31.010 ( -7.848 20.638 3.235) 22.316 31.393 ( 21.623 7.188 1.674) 22.848 32.385 ( -11.030 -13.665 0.561) 17.570 ======================= Grid point 10 (7/56) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( -11.500 19.919 6.689) 23.954 4.073 ( -6.928 11.999 -0.290) 13.859 4.078 ( -2.275 3.940 3.231) 5.580 4.649 ( -5.443 9.427 2.910) 11.268 5.458 ( 5.696 -9.867 0.458) 11.402 6.012 ( 18.228 -31.572 2.753) 36.559 6.564 ( 0.780 -1.350 3.482) 3.815 6.901 ( 10.110 -17.511 1.505) 20.276 6.903 ( -2.939 5.091 -9.078) 10.815 7.804 ( -5.628 9.748 -6.664) 13.081 7.977 ( -1.577 2.731 -4.744) 5.696 8.222 ( -6.526 11.303 -1.099) 13.098 8.455 ( -2.450 4.243 -1.536) 5.134 8.520 ( -9.864 17.085 1.465) 19.782 8.582 ( -3.786 6.557 -7.377) 10.571 8.864 ( 0.232 -0.401 -0.083) 0.471 8.955 ( -0.941 1.630 3.344) 3.837 9.067 ( -2.156 3.735 0.693) 4.368 9.295 ( 5.356 -9.277 -4.653) 11.680 9.638 ( -2.059 3.567 4.290) 5.947 9.964 ( 4.206 -7.284 11.411) 14.176 10.214 ( 16.101 -27.888 -11.116) 34.066 10.515 ( 5.588 -9.680 9.609) 14.740 10.840 ( 3.928 -6.803 -1.101) 7.932 11.187 ( -5.385 9.328 -0.583) 10.786 11.394 ( -4.759 8.243 -11.457) 14.895 11.847 ( -4.584 7.939 -5.406) 10.642 12.073 ( 11.663 -20.201 -12.615) 26.519 12.277 ( 8.945 -15.493 10.008) 20.499 12.325 ( 2.937 -5.088 3.937) 7.072 12.661 ( 5.930 -10.270 15.632) 19.621 13.114 ( -8.257 14.302 9.654) 19.129 13.262 ( 0.236 -0.408 1.877) 1.935 13.706 ( -4.560 7.898 -10.385) 13.821 14.218 ( -4.137 7.165 -6.971) 10.819 14.500 ( 0.215 -0.373 -7.602) 7.614 15.333 ( -10.718 18.564 4.643) 21.932 15.384 ( -8.299 14.375 6.617) 17.869 15.729 ( 1.097 -1.899 5.486) 5.909 17.127 ( 12.954 -22.437 -5.702) 26.528 17.504 ( 3.319 -5.749 -3.942) 7.721 18.294 ( -3.281 5.683 15.431) 16.769 18.687 ( -4.748 8.225 -16.440) 18.986 18.706 ( 0.535 -0.927 -10.838) 10.891 19.004 ( 0.673 -1.166 10.407) 10.494 19.581 ( -5.060 8.764 12.602) 16.163 19.622 ( 5.148 -8.917 5.147) 11.511 19.885 ( 5.017 -8.689 8.862) 13.387 20.384 ( -3.833 6.639 -5.907) 9.678 20.443 ( -4.760 8.245 -6.858) 11.733 20.855 ( 1.250 -2.164 -4.709) 5.331 21.194 ( 1.236 -2.141 -1.712) 3.007 25.219 ( -1.124 1.946 -0.730) 2.363 25.282 ( -0.004 0.008 -1.141) 1.141 25.546 ( -0.331 0.573 3.102) 3.172 25.792 ( -0.296 0.512 -2.811) 2.872 25.927 ( -0.818 1.416 0.405) 1.685 26.013 ( 0.864 -1.497 -0.211) 1.741 26.164 ( -1.540 2.667 -2.439) 3.928 26.188 ( -0.916 1.587 -2.550) 3.140 26.267 ( 0.290 -0.502 -1.333) 1.453 26.393 ( 1.040 -1.801 0.494) 2.137 26.451 ( 1.419 -2.458 4.074) 4.965 26.619 ( 0.528 -0.915 -2.967) 3.149 26.994 ( -1.679 2.908 3.127) 4.589 27.106 ( 0.145 -0.250 2.648) 2.663 27.229 ( -0.425 0.737 -0.432) 0.954 27.232 ( -0.226 0.392 -0.277) 0.531 27.364 ( 0.622 -1.078 0.306) 1.281 27.671 ( -1.108 1.920 4.026) 4.596 27.775 ( -0.534 0.925 -0.408) 1.143 27.901 ( 0.971 -1.682 -0.321) 1.969 27.903 ( -1.636 2.833 -2.828) 4.324 28.130 ( 0.245 -0.424 1.175) 1.273 28.323 ( 3.332 -5.772 4.824) 8.227 28.480 ( -1.489 2.579 1.874) 3.519 28.742 ( 2.358 -4.084 2.054) 5.144 29.304 ( -3.861 6.688 -5.897) 9.717 29.548 ( 0.728 -1.262 -6.370) 6.534 29.906 ( -0.207 0.359 3.028) 3.056 29.964 ( 9.408 -16.295 -6.571) 19.930 31.046 ( -11.237 19.463 3.604) 22.762 31.734 ( 2.524 -4.372 2.480) 5.624 32.107 ( 3.156 -5.466 -0.292) 6.318 ======================= Grid point 17 (8/56) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.686 ( 22.502 38.975 7.939) 45.699 3.948 ( 17.314 29.988 2.959) 34.753 4.517 ( -10.644 -18.435 1.837) 21.366 4.948 ( -4.825 -8.357 5.897) 11.309 5.318 ( -9.509 -16.471 4.650) 19.579 5.364 ( -11.510 -19.936 -0.580) 23.028 6.606 ( 6.701 11.607 2.114) 13.568 6.619 ( -2.346 -4.063 3.355) 5.768 6.935 ( 6.222 10.777 -11.837) 17.175 7.826 ( 9.041 15.659 -10.066) 20.695 8.111 ( -1.689 -2.925 -13.387) 13.806 8.361 ( -0.167 -0.289 1.053) 1.104 8.489 ( 8.277 14.337 -1.516) 16.624 8.652 ( 5.161 8.939 -3.637) 10.944 8.713 ( 2.370 4.105 -1.929) 5.117 8.910 ( 1.956 3.388 1.729) 4.277 9.117 ( -2.801 -4.852 -3.800) 6.770 9.198 ( -3.620 -6.270 -1.245) 7.346 9.414 ( -5.185 -8.981 3.649) 10.994 9.471 ( -13.551 -23.472 7.226) 28.050 9.590 ( -11.521 -19.955 -0.392) 23.045 9.956 ( 5.927 10.267 4.420) 12.652 10.397 ( -9.447 -16.364 8.917) 20.893 10.767 ( -1.033 -1.789 -5.342) 5.727 11.294 ( 7.642 13.237 -1.617) 15.370 11.609 ( 1.429 2.475 -10.587) 10.966 11.772 ( -2.734 -4.735 -6.636) 8.598 11.828 ( -9.719 -16.835 4.025) 19.851 12.123 ( -1.428 -2.473 -2.159) 3.580 12.235 ( -2.309 -4.000 -9.938) 10.959 12.578 ( -3.468 -6.006 24.778) 25.730 13.203 ( 5.422 9.391 3.439) 11.376 13.320 ( 0.529 0.916 12.746) 12.790 13.984 ( 3.311 5.734 -12.374) 14.034 14.130 ( 2.256 3.907 -5.598) 7.190 14.485 ( -3.925 -6.798 -10.072) 12.770 15.627 ( 5.043 8.734 7.038) 12.298 15.627 ( 4.664 8.078 8.075) 12.337 15.679 ( 1.506 2.609 8.804) 9.305 16.797 ( -1.758 -3.046 -6.443) 7.341 17.387 ( 1.959 3.394 -7.504) 8.465 18.365 ( 7.717 13.366 8.475) 17.607 18.690 ( -5.049 -8.744 -14.818) 17.931 18.792 ( 3.257 5.641 -8.942) 11.063 19.020 ( -5.659 -9.802 14.009) 18.010 19.496 ( -2.100 -3.636 7.322) 8.440 19.722 ( -1.676 -2.902 8.447) 9.087 19.730 ( -3.202 -5.546 14.864) 16.185 20.447 ( 3.909 6.770 -4.181) 8.865 20.690 ( 0.926 1.604 -9.146) 9.332 20.734 ( 2.845 4.927 -8.153) 9.942 21.140 ( 0.665 1.152 -1.618) 2.095 25.250 ( 0.890 1.541 -1.579) 2.379 25.276 ( -0.037 -0.064 -1.150) 1.152 25.554 ( 0.371 0.642 4.867) 4.923 25.801 ( 0.555 0.961 -4.789) 4.916 25.946 ( 1.163 2.014 0.936) 2.507 25.992 ( -0.666 -1.154 -0.658) 1.486 26.181 ( 3.312 5.736 -0.934) 6.689 26.192 ( 1.731 2.998 -8.874) 9.526 26.299 ( -1.280 -2.218 -1.880) 3.177 26.389 ( -1.732 -3.001 4.537) 5.709 26.393 ( -2.420 -4.192 5.092) 7.026 26.609 ( -0.421 -0.729 -4.005) 4.092 27.041 ( 1.457 2.523 4.059) 4.996 27.092 ( -0.389 -0.673 3.783) 3.862 27.233 ( 0.745 1.291 -0.883) 1.733 27.243 ( 0.212 0.367 0.769) 0.878 27.349 ( -0.349 -0.605 -0.588) 0.912 27.679 ( 3.720 6.443 5.518) 9.263 27.835 ( 0.195 0.338 -3.728) 3.749 27.844 ( -2.137 -3.702 2.225) 4.819 27.958 ( 0.630 1.091 -4.257) 4.439 28.106 ( 1.467 2.541 4.127) 5.064 28.255 ( -5.176 -8.965 4.959) 11.478 28.537 ( 1.465 2.538 2.558) 3.890 28.669 ( -3.116 -5.397 3.207) 7.009 29.412 ( 4.537 7.858 -7.535) 11.794 29.585 ( -2.338 -4.049 -9.507) 10.594 29.696 ( -5.873 -10.173 -7.437) 13.903 29.912 ( -0.126 -0.218 3.932) 3.940 31.402 ( 6.176 10.697 4.112) 13.019 31.528 ( 5.010 8.677 2.727) 10.384 32.064 ( -8.325 -14.419 -0.122) 16.650 ======================= Grid point 55 (9/56) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.000 0.000 60.796) 60.796 1.197 ( 0.000 0.000 60.796) 60.796 2.323 ( 0.000 -0.000 115.550) 115.550 5.976 ( 0.000 -0.000 21.489) 21.489 5.976 ( 0.000 0.000 21.489) 21.489 6.524 ( 0.000 -0.000 -1.643) 1.643 6.620 ( 0.000 0.000 4.909) 4.909 6.620 ( 0.000 0.000 4.909) 4.909 7.593 ( -0.000 0.000 -6.089) 6.089 7.622 ( -0.000 0.000 17.052) 17.052 8.161 ( 0.000 0.000 10.212) 10.212 8.161 ( 0.000 0.000 10.212) 10.212 8.598 ( 0.000 0.000 -0.231) 0.231 8.662 ( -0.000 0.000 -1.893) 1.893 8.662 ( 0.000 -0.000 -1.893) 1.893 8.709 ( 0.000 0.000 18.692) 18.692 9.568 ( -0.000 0.000 -23.979) 23.979 9.568 ( 0.000 0.000 -23.979) 23.979 10.401 ( -0.000 0.000 15.034) 15.034 10.401 ( 0.000 0.000 15.034) 15.034 10.457 ( -0.000 0.000 11.656) 11.656 10.657 ( 0.000 0.000 2.416) 2.416 10.657 ( 0.000 -0.000 2.416) 2.416 10.672 ( 0.000 -0.000 -4.233) 4.233 11.615 ( 0.000 0.000 10.291) 10.291 11.615 ( 0.000 -0.000 10.291) 10.291 12.129 ( -0.000 0.000 15.411) 15.411 12.325 ( 0.000 0.000 10.053) 10.053 12.325 ( 0.000 0.000 10.053) 10.053 12.536 ( -0.000 0.000 0.241) 0.241 12.849 ( -0.000 0.000 -10.356) 10.356 13.148 ( -0.000 0.000 -3.624) 3.624 13.148 ( 0.000 -0.000 -3.624) 3.624 13.990 ( 0.000 0.000 -3.013) 3.013 13.990 ( 0.000 0.000 -3.013) 3.013 14.620 ( -0.000 0.000 -17.483) 17.483 14.670 ( 0.000 -0.000 -2.857) 2.857 15.970 ( 0.000 0.000 11.673) 11.673 16.444 ( 0.000 -0.000 0.472) 0.472 16.484 ( 0.000 0.000 0.352) 0.352 16.484 ( 0.000 0.000 0.352) 0.352 17.425 ( 0.000 0.000 -4.816) 4.816 17.425 ( 0.000 -0.000 -4.816) 4.816 17.808 ( 0.000 0.000 -13.469) 13.469 19.622 ( -0.000 0.000 -6.578) 6.578 19.736 ( -0.000 -0.000 -16.637) 16.637 19.736 ( 0.000 -0.000 -16.637) 16.637 20.151 ( 0.000 0.000 -14.848) 14.848 20.151 ( 0.000 0.000 -14.848) 14.848 20.238 ( -0.000 0.000 -19.140) 19.140 20.290 ( -0.000 0.000 5.614) 5.614 20.938 ( -0.000 0.000 7.138) 7.138 25.151 ( 0.000 0.000 3.277) 3.277 25.151 ( 0.000 0.000 3.277) 3.277 25.615 ( 0.000 -0.000 2.092) 2.092 25.615 ( 0.000 0.000 2.092) 2.092 25.647 ( 0.000 0.000 1.681) 1.681 25.778 ( 0.000 -0.000 0.193) 0.193 25.778 ( 0.000 -0.000 0.193) 0.193 26.119 ( 0.000 0.000 -0.700) 0.700 26.119 ( 0.000 0.000 -0.700) 0.700 26.274 ( 0.000 -0.000 -8.631) 8.631 26.859 ( 0.000 -0.000 2.081) 2.081 26.859 ( 0.000 0.000 2.081) 2.081 27.039 ( -0.000 0.000 14.866) 14.866 27.176 ( 0.000 0.000 6.052) 6.052 27.176 ( 0.000 0.000 6.052) 6.052 27.348 ( 0.000 -0.000 -0.309) 0.309 27.348 ( 0.000 0.000 -0.309) 0.309 27.568 ( 0.000 0.000 7.483) 7.483 27.568 ( 0.000 0.000 7.483) 7.483 28.013 ( -0.000 0.000 2.747) 2.747 28.099 ( -0.000 0.000 -1.365) 1.365 28.099 ( 0.000 0.000 -1.365) 1.365 28.810 ( 0.000 0.000 5.553) 5.553 28.810 ( 0.000 0.000 5.553) 5.553 29.054 ( 0.000 -0.000 -7.392) 7.392 29.756 ( -0.000 0.000 -8.282) 8.282 30.129 ( 0.000 0.000 -1.649) 1.649 30.129 ( 0.000 0.000 -1.649) 1.649 30.222 ( -0.000 0.000 16.592) 16.592 30.413 ( 0.000 0.000 -1.330) 1.330 30.413 ( 0.000 -0.000 -1.330) 1.330 32.892 ( -0.000 0.000 -5.592) 5.592 ======================= Grid point 56 (10/56) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 19.296 32.441 41.770) 56.298 1.871 ( 41.599 16.846 45.753) 64.091 3.105 ( 59.241 28.349 82.009) 105.065 5.848 ( -11.313 -6.644 20.372) 24.232 5.919 ( -4.103 -2.627 23.971) 24.461 6.342 ( -14.676 -11.129 5.845) 19.324 6.626 ( 6.568 1.214 2.046) 6.986 6.805 ( 8.304 11.387 1.622) 14.186 7.500 ( -10.143 -5.054 14.186) 18.157 7.679 ( 4.414 -0.699 -5.277) 6.915 7.932 ( -18.523 -10.046 6.546) 22.065 8.121 ( -4.609 -0.584 9.682) 10.739 8.266 ( -2.108 3.557 -1.597) 4.432 8.621 ( -0.177 0.553 17.613) 17.623 8.760 ( -4.217 -4.308 2.341) 6.466 8.943 ( 8.827 2.661 7.190) 11.691 9.421 ( -2.744 -9.515 -23.124) 25.155 9.657 ( 0.440 -7.820 -12.867) 15.063 10.011 ( -14.591 3.242 -2.236) 15.113 10.075 ( -19.495 1.013 7.337) 20.854 10.421 ( 2.465 -7.441 5.942) 9.836 10.748 ( -6.585 7.458 8.954) 13.385 10.847 ( 10.332 -12.540 5.228) 17.068 10.991 ( 4.299 -7.446 10.914) 13.894 11.376 ( 7.671 2.508 -0.141) 8.071 11.665 ( -14.675 4.165 2.794) 15.509 11.888 ( -8.797 -5.336 17.684) 20.459 12.030 ( -4.153 0.024 14.802) 15.373 12.354 ( -0.910 -1.389 3.718) 4.072 12.714 ( -3.867 -4.582 -0.673) 6.034 12.902 ( -12.048 -2.728 -3.068) 12.729 13.173 ( 6.847 1.648 -6.538) 9.609 13.238 ( 23.058 16.653 3.304) 28.634 14.145 ( 10.552 -0.189 -8.615) 13.623 14.265 ( 3.265 3.939 -3.915) 6.442 14.493 ( -13.474 -5.748 -3.763) 15.124 14.779 ( 8.934 3.302 -17.511) 19.934 15.433 ( -35.235 -11.903 3.816) 37.386 15.782 ( -27.252 -11.625 3.461) 29.829 16.256 ( 5.976 -6.076 2.107) 8.779 16.846 ( 20.086 3.447 -3.131) 20.619 17.700 ( -2.135 21.103 -13.183) 24.974 17.925 ( 16.955 2.431 -4.650) 17.748 18.172 ( 34.962 17.752 -4.418) 39.458 19.463 ( -10.445 -11.275 -19.051) 24.478 19.754 ( -3.211 4.418 -14.700) 15.682 19.807 ( 6.451 3.131 -13.934) 15.671 20.086 ( -4.969 -3.862 -14.443) 15.755 20.223 ( 1.591 0.913 -0.286) 1.857 20.261 ( 6.347 0.678 -3.463) 7.262 20.329 ( 7.765 5.807 -8.012) 12.579 20.852 ( -6.024 -4.406 4.960) 8.961 25.167 ( 2.298 -0.969 2.977) 3.884 25.225 ( 2.274 2.947 1.955) 4.204 25.561 ( -0.330 0.459 5.938) 5.965 25.667 ( 3.574 2.931 1.707) 4.927 25.775 ( 1.011 2.291 -1.477) 2.907 25.797 ( 1.388 1.985 -0.279) 2.438 25.892 ( 8.718 0.259 -3.611) 9.440 26.102 ( -1.266 -0.478 -0.531) 1.454 26.236 ( 7.439 4.056 -6.643) 10.766 26.280 ( 0.423 0.287 -8.281) 8.297 26.843 ( -2.139 -0.606 3.107) 3.821 26.880 ( 1.358 0.099 3.524) 3.778 26.977 ( -2.249 -3.829 12.515) 13.279 27.144 ( -3.473 -1.055 6.483) 7.430 27.195 ( 0.823 0.272 6.686) 6.742 27.328 ( -2.386 -0.211 6.966) 7.367 27.379 ( -0.289 3.736 -0.798) 3.831 27.422 ( -4.382 2.619 7.652) 9.198 27.614 ( 6.643 -4.617 8.130) 11.469 28.018 ( -1.815 0.698 1.546) 2.484 28.046 ( -1.137 -0.823 -0.012) 1.404 28.109 ( 0.059 -0.524 0.893) 1.037 28.742 ( -4.052 -3.438 3.576) 6.405 28.790 ( -3.389 -0.424 4.227) 5.434 28.990 ( -5.322 -1.770 -4.310) 7.073 29.552 ( -10.467 -7.048 -3.929) 13.217 29.950 ( -10.207 -4.889 -0.574) 11.332 30.162 ( 1.109 -4.076 2.611) 4.966 30.209 ( 1.495 -4.203 9.744) 10.716 30.537 ( 4.922 7.272 -1.603) 8.926 30.667 ( 16.104 11.768 -3.138) 20.191 32.772 ( -8.440 -4.085 -6.687) 11.517 ======================= Grid point 57 (11/56) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 29.824 31.651 26.800) 51.083 2.896 ( 43.711 24.680 36.588) 62.116 4.666 ( 60.691 29.156 41.820) 79.261 5.408 ( -18.807 -9.023 13.886) 25.059 5.751 ( -16.849 -9.158 25.243) 31.701 5.923 ( -8.255 -6.408 22.124) 24.468 6.745 ( -5.072 3.527 -0.100) 6.178 7.060 ( 11.188 -6.429 0.248) 12.906 7.229 ( -15.786 -0.674 7.709) 17.580 7.388 ( -2.737 3.361 8.765) 9.779 7.915 ( 3.218 -4.276 3.821) 6.576 8.145 ( 5.166 1.945 2.012) 5.875 8.303 ( -3.836 0.213 3.415) 5.141 8.526 ( 2.317 -2.015 3.111) 4.372 8.659 ( -2.598 2.267 20.002) 20.297 9.040 ( 1.802 -5.747 8.038) 10.044 9.202 ( -6.092 -10.198 -14.283) 18.577 9.559 ( 0.421 -9.529 -5.157) 10.843 9.736 ( -16.656 -3.081 1.440) 17.000 9.969 ( -5.534 11.335 7.587) 14.720 10.224 ( -20.136 -9.205 11.488) 24.943 10.547 ( 0.506 -12.363 -6.449) 13.953 10.776 ( -5.433 -4.319 -2.043) 7.235 10.997 ( -1.301 -2.880 14.634) 14.972 11.376 ( -10.741 -3.400 12.895) 17.123 11.522 ( 1.932 -4.401 1.483) 5.030 11.766 ( -1.312 -1.669 -1.064) 2.375 11.994 ( 1.816 -3.681 0.621) 4.152 12.375 ( -5.195 9.311 5.743) 12.111 12.530 ( -8.711 -4.463 -7.609) 12.397 12.854 ( 3.553 10.135 5.093) 11.886 13.150 ( -4.052 -2.789 -5.743) 7.562 13.666 ( -27.459 -7.821 7.371) 29.487 13.865 ( 10.261 -0.168 2.303) 10.517 14.226 ( -6.143 -8.873 5.901) 12.300 14.360 ( 8.813 -5.484 -7.214) 12.641 14.905 ( 6.386 8.927 -19.883) 22.711 15.118 ( -16.472 -9.941 1.785) 19.321 15.412 ( 4.523 15.871 -3.434) 16.856 16.610 ( 23.687 6.284 -10.456) 26.644 17.223 ( 18.058 -3.236 -7.266) 19.732 17.876 ( 0.736 23.563 -9.051) 25.253 18.253 ( 12.408 2.496 -5.662) 13.865 18.682 ( 5.715 2.076 -11.310) 12.840 19.133 ( -11.715 -7.105 -17.983) 22.607 19.702 ( -3.309 -1.466 -10.629) 11.228 19.817 ( -8.680 3.264 -11.242) 14.574 19.931 ( -5.461 -2.254 -5.433) 8.026 20.336 ( 5.429 0.817 1.894) 5.808 20.406 ( 3.381 0.344 -1.926) 3.907 20.655 ( 10.072 1.468 -4.327) 11.060 20.748 ( 11.629 3.973 0.073) 12.289 25.202 ( 1.966 -0.247 3.093) 3.673 25.288 ( 2.265 1.431 3.825) 4.670 25.573 ( -0.061 1.779 5.787) 6.055 25.760 ( 3.231 -0.782 -0.011) 3.324 25.831 ( 2.122 3.210 -1.477) 4.122 25.872 ( 4.340 3.724 -0.115) 5.720 26.018 ( 5.605 -1.055 -2.315) 6.156 26.082 ( 0.023 0.842 0.389) 0.928 26.272 ( -0.746 -0.740 -6.772) 6.853 26.387 ( 4.410 1.998 -4.122) 6.358 26.742 ( -5.940 -2.835 7.844) 10.239 26.832 ( -3.107 -6.068 9.447) 11.650 26.972 ( 1.680 2.098 5.215) 5.867 27.078 ( -2.490 2.051 2.698) 4.206 27.208 ( 1.047 -0.156 3.943) 4.082 27.304 ( -1.489 1.953 8.231) 8.590 27.409 ( 0.625 2.966 2.946) 4.228 27.475 ( 2.283 4.686 -0.016) 5.212 27.709 ( 7.742 -3.448 5.373) 10.035 27.945 ( -4.719 -0.880 -0.749) 4.858 28.035 ( -0.903 -1.331 2.912) 3.327 28.115 ( 0.412 2.525 2.617) 3.660 28.588 ( -7.678 -3.957 0.734) 8.669 28.665 ( -8.436 -2.377 0.786) 8.800 28.863 ( -6.040 -0.271 -0.344) 6.056 29.361 ( -2.543 -5.431 2.952) 6.684 29.732 ( -5.639 -7.369 0.853) 9.318 30.101 ( -3.101 -1.379 11.856) 12.333 30.188 ( 3.354 -8.834 -2.046) 9.668 30.678 ( 1.149 8.046 -1.279) 8.228 31.133 ( 18.807 13.071 -5.550) 23.566 32.517 ( -13.070 -6.576 -8.488) 16.915 ======================= Grid point 58 (12/56) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 25.632 24.416 18.886) 40.123 3.930 ( 38.206 23.037 32.757) 55.349 4.543 ( -28.297 -13.638 16.043) 35.272 5.016 ( -32.648 -16.732 24.216) 43.958 5.853 ( 1.805 0.586 25.949) 26.018 6.270 ( 25.432 12.174 12.694) 30.921 6.652 ( -1.115 5.013 2.872) 5.884 6.857 ( 6.546 5.016 11.092) 13.822 7.437 ( 4.575 8.305 5.295) 10.860 7.491 ( 8.978 -9.968 10.806) 17.226 7.928 ( 6.034 -1.374 5.598) 8.345 8.061 ( -1.171 -4.773 -2.958) 5.736 8.351 ( 3.054 0.359 0.269) 3.086 8.528 ( -6.258 -4.763 7.640) 10.965 8.768 ( 4.760 3.555 13.842) 15.063 8.926 ( -3.962 -6.881 5.051) 9.411 9.033 ( -7.559 -1.111 12.423) 14.584 9.286 ( -8.472 -10.659 4.418) 14.315 9.546 ( -5.170 -3.566 -1.151) 6.385 9.598 ( -17.856 -9.675 10.991) 23.092 10.030 ( -5.649 12.455 8.967) 16.354 10.522 ( 9.425 -9.771 -12.805) 18.662 10.629 ( -7.648 2.792 -3.115) 8.717 10.986 ( 1.058 2.916 5.565) 6.371 11.166 ( -5.969 -3.394 16.093) 17.497 11.419 ( -1.127 -16.477 4.418) 17.096 11.807 ( 8.595 -2.307 5.086) 10.250 12.037 ( -1.358 2.896 -17.964) 18.247 12.246 ( -0.014 -7.878 -9.722) 12.514 12.392 ( -14.743 13.095 0.133) 19.720 12.969 ( -3.074 5.799 -2.992) 7.213 13.073 ( -9.024 11.447 3.088) 14.899 13.411 ( 6.180 1.086 18.548) 19.580 13.751 ( -6.006 -13.959 4.262) 15.782 14.083 ( 0.107 -9.975 6.655) 11.992 14.378 ( 3.333 -8.680 -9.961) 13.626 15.062 ( 1.276 9.875 -6.921) 12.126 15.125 ( 3.660 6.252 -4.272) 8.410 15.617 ( 1.756 8.732 -8.923) 12.607 17.008 ( 11.384 -0.800 -31.462) 33.467 17.478 ( 11.622 1.115 -4.374) 12.468 18.174 ( 0.027 21.899 -4.175) 22.294 18.404 ( 9.290 -9.355 -13.217) 18.668 18.553 ( -5.841 -11.245 -14.848) 19.520 18.936 ( -8.414 3.518 -10.894) 14.208 19.613 ( -3.014 3.555 0.258) 4.668 19.708 ( -9.756 3.627 -1.230) 10.481 19.850 ( -2.879 3.870 -8.322) 9.619 20.314 ( -1.411 -6.474 -4.553) 8.040 20.425 ( 3.147 -2.386 5.843) 7.053 20.788 ( 7.244 -1.904 -4.471) 8.723 21.127 ( 11.042 3.778 -2.975) 12.043 25.226 ( 0.725 -0.050 3.402) 3.479 25.334 ( 1.660 -0.315 5.327) 5.589 25.589 ( -0.828 2.472 4.928) 5.575 25.771 ( 0.838 -2.129 -1.486) 2.729 25.901 ( 1.975 1.520 0.210) 2.501 26.001 ( 3.688 0.289 -3.273) 4.940 26.050 ( 2.216 1.277 -1.667) 3.053 26.129 ( 0.793 -2.379 -3.493) 4.300 26.262 ( 0.993 1.511 -0.489) 1.873 26.439 ( 0.194 -0.836 0.923) 1.261 26.627 ( -2.810 -0.281 9.507) 9.918 26.709 ( -2.411 -4.701 6.322) 8.239 27.017 ( -0.370 3.374 5.460) 6.429 27.073 ( -1.087 1.621 -0.994) 2.190 27.242 ( 2.114 0.532 2.820) 3.564 27.289 ( -1.545 0.208 5.002) 5.239 27.445 ( 0.226 1.548 5.898) 6.102 27.578 ( 2.312 5.021 -2.610) 6.113 27.786 ( 1.631 -2.510 0.825) 3.105 27.862 ( -0.467 -1.109 1.665) 2.054 27.981 ( -2.628 -1.024 3.336) 4.368 28.181 ( 2.503 3.153 4.425) 5.982 28.428 ( -6.348 -0.181 0.600) 6.379 28.486 ( -6.534 -0.391 0.886) 6.606 28.784 ( -3.047 1.364 -1.477) 3.650 29.314 ( 2.348 -5.131 7.313) 9.237 29.605 ( 0.296 -6.787 2.787) 7.343 30.046 ( -2.373 1.242 12.576) 12.858 30.156 ( 4.521 -9.988 -4.997) 12.048 30.747 ( -2.292 7.120 -1.167) 7.570 31.590 ( 14.624 11.040 -6.910) 19.583 32.178 ( -13.445 -7.403 -8.756) 17.671 ======================= Grid point 63 (13/56) ======================= q-point: ( 0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 21.177 36.680 37.930) 56.856 2.570 ( 26.389 45.707 30.858) 61.137 4.168 ( 37.367 64.722 51.805) 90.934 5.700 ( -6.057 -10.491 18.707) 22.287 5.733 ( -6.039 -10.460 27.709) 30.227 6.169 ( -7.300 -12.644 0.187) 14.601 6.311 ( -7.532 -13.047 15.236) 21.426 7.213 ( -0.480 -0.832 7.672) 7.732 7.360 ( -13.926 -24.120 -3.872) 28.119 7.444 ( 9.052 15.678 8.609) 20.046 7.859 ( 1.215 2.104 0.054) 2.431 8.132 ( 0.210 0.363 13.212) 13.219 8.357 ( 1.598 2.768 -1.424) 3.499 8.496 ( -2.200 -3.810 3.310) 5.505 8.820 ( -4.641 -8.038 18.692) 20.869 8.860 ( 1.427 2.472 4.432) 5.272 9.236 ( -4.084 -7.073 -20.815) 22.360 9.376 ( -5.363 -9.289 -5.277) 11.953 10.046 ( -1.954 -3.385 8.708) 9.545 10.129 ( -7.726 -13.382 -0.008) 15.452 10.341 ( 0.132 0.228 14.664) 14.666 10.404 ( -5.155 -8.928 1.706) 10.450 10.652 ( -3.837 -6.646 -6.730) 10.207 11.037 ( -0.209 -0.362 14.939) 14.945 11.492 ( 0.067 0.116 5.243) 5.245 11.581 ( -6.410 -11.102 -5.116) 13.803 11.704 ( -4.241 -7.346 2.985) 8.993 11.875 ( -3.691 -6.393 11.036) 13.278 12.550 ( 1.944 3.367 -4.686) 6.089 12.662 ( 4.420 7.655 4.334) 9.844 12.958 ( 0.350 0.605 6.001) 6.042 12.979 ( -6.624 -11.474 -1.234) 13.306 13.701 ( 12.742 22.069 1.768) 25.544 13.878 ( -21.690 -37.568 7.315) 43.993 14.217 ( -7.440 -12.886 2.913) 15.162 14.231 ( 2.749 4.761 -14.837) 15.822 14.963 ( 6.316 10.940 -20.425) 24.016 15.304 ( 3.433 5.946 -1.566) 7.043 15.643 ( -0.767 -1.329 4.649) 4.896 16.544 ( 8.444 14.625 -5.544) 17.775 16.625 ( 0.334 0.579 -8.820) 8.845 17.924 ( 3.414 5.913 -8.099) 10.593 18.416 ( 6.899 11.949 -10.538) 17.361 18.546 ( 12.785 22.144 -2.469) 25.689 19.270 ( -4.464 -7.732 -20.708) 22.550 19.567 ( -2.815 -4.876 -13.323) 14.463 19.973 ( -3.281 -5.683 -12.428) 14.054 20.008 ( 0.414 0.718 -0.612) 1.030 20.282 ( 1.421 2.461 -4.579) 5.389 20.353 ( 4.929 8.537 -5.510) 11.293 20.544 ( 9.674 16.755 -0.007) 19.347 20.684 ( -5.831 -10.100 -0.561) 11.676 25.183 ( 1.136 1.967 2.992) 3.756 25.274 ( 1.050 1.819 3.273) 3.889 25.589 ( 1.119 1.939 6.142) 6.537 25.715 ( 0.722 1.250 -0.200) 1.457 25.857 ( 1.714 2.969 -1.109) 3.603 25.858 ( 2.642 4.576 0.696) 5.329 25.925 ( 1.814 3.142 -3.634) 5.136 26.090 ( -0.026 -0.045 0.386) 0.390 26.278 ( -0.349 -0.605 -7.229) 7.263 26.347 ( 2.797 4.844 -5.789) 8.050 26.799 ( -3.979 -6.892 9.147) 12.124 26.801 ( -2.352 -4.075 5.952) 7.587 26.967 ( 2.024 3.505 4.677) 6.185 27.118 ( -0.285 -0.493 4.196) 4.235 27.201 ( -0.009 -0.015 5.769) 5.769 27.344 ( 0.638 1.104 10.308) 10.386 27.450 ( 0.536 0.928 2.647) 2.855 27.500 ( 1.616 2.799 6.098) 6.901 27.555 ( 2.075 3.595 -0.078) 4.152 27.996 ( -1.653 -2.864 -1.664) 3.702 28.029 ( -0.454 -0.787 3.863) 3.968 28.123 ( 1.018 1.763 2.825) 3.482 28.643 ( -3.204 -5.549 1.338) 6.545 28.723 ( -3.435 -5.949 1.775) 7.095 28.929 ( -2.141 -3.709 2.338) 4.880 29.364 ( -4.555 -7.889 -0.818) 9.146 29.808 ( -5.644 -9.776 -0.825) 11.319 29.972 ( -4.843 -8.388 -6.070) 11.430 30.138 ( -1.421 -2.462 14.341) 14.620 30.887 ( 8.006 13.866 -1.058) 16.046 30.896 ( 9.213 15.958 -4.161) 18.891 32.605 ( -6.589 -11.412 -7.844) 15.335 ======================= Grid point 64 (14/56) ======================= q-point: ( 0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 21.955 40.987 26.821) 53.677 3.577 ( 32.711 37.245 31.858) 58.925 5.003 ( -23.521 0.151 21.846) 32.102 5.439 ( -21.260 -10.583 22.656) 32.822 5.694 ( 13.068 6.778 17.265) 22.690 5.915 ( 12.849 14.685 25.932) 32.453 6.318 ( 26.096 -21.972 10.098) 35.578 6.859 ( -12.045 -11.487 2.431) 16.821 7.076 ( 1.283 -12.454 10.178) 16.135 7.715 ( -3.096 4.634 2.781) 6.229 7.874 ( -0.235 -3.282 -8.748) 9.346 8.162 ( -1.128 16.743 3.440) 17.130 8.363 ( -1.697 2.154 3.834) 4.714 8.604 ( 3.641 7.322 5.988) 10.136 8.729 ( 4.180 4.231 19.463) 20.351 8.881 ( 0.010 -3.226 -1.197) 3.441 9.128 ( -1.334 1.171 0.843) 1.965 9.285 ( -2.533 -12.965 -2.758) 13.495 9.631 ( -14.060 -9.915 2.640) 17.405 9.947 ( -12.808 -11.156 10.119) 19.771 10.062 ( -13.038 -9.071 9.299) 18.405 10.371 ( -1.756 -3.687 10.914) 11.653 10.691 ( 5.550 -0.522 -7.004) 8.952 10.975 ( -1.716 -2.889 11.928) 12.393 11.265 ( -7.514 -12.550 0.358) 14.632 11.312 ( -3.712 -6.965 6.858) 10.455 11.671 ( -4.816 -3.317 0.398) 5.862 11.878 ( 12.575 -0.896 -13.375) 18.380 12.355 ( -16.770 -14.216 -8.150) 23.446 12.539 ( -4.881 -22.316 -2.359) 22.965 12.920 ( 12.286 1.297 1.900) 12.499 13.155 ( 2.489 15.657 8.182) 17.841 13.380 ( -6.689 -0.792 19.368) 20.506 13.845 ( -13.398 -7.217 0.066) 15.219 14.076 ( 7.179 -2.468 0.740) 7.628 14.300 ( 0.631 -0.209 -14.757) 14.772 15.216 ( 3.480 19.841 -12.868) 23.903 15.368 ( -10.777 19.620 -0.803) 22.399 15.684 ( 0.240 8.330 -0.231) 8.337 16.726 ( 13.218 -0.276 -16.617) 21.234 17.061 ( 27.452 0.954 -8.757) 28.831 18.040 ( 4.160 -2.656 -13.589) 14.458 18.402 ( -5.999 -7.209 -22.542) 24.415 18.762 ( -3.145 9.640 -0.513) 10.153 19.142 ( -8.631 6.736 -8.024) 13.574 19.568 ( 2.542 -5.056 -10.141) 11.613 19.914 ( -5.490 5.343 0.916) 7.716 19.990 ( -0.670 5.067 0.261) 5.118 20.280 ( 0.158 -5.998 6.581) 8.905 20.408 ( -6.795 1.336 -6.800) 9.705 20.607 ( 9.953 -2.801 -9.382) 13.962 20.943 ( 13.070 9.374 -4.225) 16.629 25.228 ( 0.866 2.259 3.516) 4.268 25.307 ( 1.083 0.473 4.186) 4.349 25.628 ( -0.008 3.080 6.301) 7.013 25.734 ( 1.213 -1.252 -1.770) 2.484 25.903 ( 0.460 2.979 -1.196) 3.243 25.944 ( 2.654 1.670 -2.628) 4.091 26.003 ( 3.480 0.330 -4.187) 5.454 26.117 ( 0.554 1.691 0.392) 1.822 26.264 ( 0.359 0.945 -2.365) 2.572 26.425 ( 1.547 1.775 -1.578) 2.834 26.650 ( -3.578 -5.653 8.668) 10.950 26.697 ( -2.726 -5.958 5.911) 8.824 27.056 ( 1.405 5.216 4.314) 6.913 27.123 ( -0.696 1.993 2.232) 3.073 27.208 ( 1.478 0.325 3.273) 3.606 27.339 ( -2.815 1.139 8.486) 9.013 27.441 ( 0.548 -1.224 5.616) 5.773 27.591 ( 2.803 5.942 1.250) 6.688 27.684 ( 5.664 1.943 -2.534) 6.502 27.920 ( -3.844 -1.139 -0.026) 4.010 27.996 ( -1.202 -2.425 4.222) 5.016 28.174 ( 1.837 2.733 4.679) 5.722 28.526 ( -5.635 -1.782 1.754) 6.165 28.573 ( -3.960 -5.154 2.792) 7.074 28.838 ( -3.559 -2.559 3.776) 5.785 29.266 ( -0.722 -1.983 1.303) 2.480 29.583 ( -6.655 -6.564 -0.833) 9.385 29.855 ( 5.628 -16.964 -7.348) 19.325 30.092 ( -1.626 -0.628 13.307) 13.421 31.024 ( -6.944 20.104 -1.672) 21.335 31.359 ( 20.598 8.094 -4.814) 22.649 32.303 ( -11.383 -13.354 -8.190) 19.364 ======================= Grid point 65 (15/56) ======================= q-point: ( 0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.776 ( -13.615 23.583 21.716) 34.830 4.395 ( -4.491 7.779 23.748) 25.390 4.431 ( -6.248 10.823 32.256) 34.593 4.878 ( -6.333 10.969 20.535) 24.127 5.775 ( 5.160 -8.937 28.465) 30.278 6.079 ( 16.376 -28.365 4.486) 33.059 6.651 ( 0.463 -0.801 6.404) 6.471 6.911 ( 1.844 -3.195 8.760) 9.505 6.987 ( 10.204 -17.675 7.622) 21.786 7.747 ( -2.596 4.496 -0.060) 5.192 7.820 ( 3.515 -6.088 -11.831) 13.762 8.205 ( -4.839 8.382 0.830) 9.714 8.513 ( -6.782 11.746 10.816) 17.348 8.648 ( -11.116 19.254 10.363) 24.530 8.775 ( -0.816 1.414 25.379) 25.431 8.860 ( -0.257 0.445 -6.717) 6.737 9.069 ( 0.234 -0.406 5.751) 5.770 9.187 ( -0.213 0.368 14.719) 14.725 9.264 ( 3.587 -6.213 3.364) 7.923 9.633 ( 0.477 -0.826 0.157) 0.967 10.109 ( 7.072 -12.249 -0.955) 14.176 10.229 ( 0.655 -1.135 15.610) 15.665 10.711 ( 2.099 -3.635 8.003) 9.037 10.986 ( 8.013 -13.878 5.582) 16.969 11.174 ( -4.976 8.619 -0.276) 9.956 11.189 ( -2.672 4.629 1.814) 5.644 11.753 ( 0.174 -0.302 -3.375) 3.393 11.833 ( 8.840 -15.311 -8.502) 19.617 12.152 ( 3.881 -6.723 -16.435) 18.176 12.330 ( 10.503 -18.192 -4.530) 21.489 13.022 ( 2.139 -3.705 10.863) 11.676 13.364 ( -15.881 27.507 12.581) 34.163 13.422 ( 2.252 -3.900 17.184) 17.764 13.513 ( 2.472 -4.281 -6.881) 8.473 14.150 ( -3.741 6.479 0.830) 7.528 14.252 ( 2.857 -4.948 -17.281) 18.201 15.376 ( -10.544 18.262 -8.023) 22.562 15.414 ( -10.155 17.590 2.400) 20.452 15.725 ( -1.273 2.205 -5.942) 6.465 16.863 ( 6.702 -11.609 -21.501) 25.337 17.427 ( 4.291 -7.433 -5.044) 9.955 17.985 ( 7.071 -12.247 -24.013) 27.868 18.261 ( 5.820 -10.080 -28.709) 30.979 18.815 ( -10.950 18.966 9.480) 23.864 19.070 ( -4.271 7.398 -5.914) 10.390 19.572 ( 3.689 -6.389 -8.081) 10.942 19.862 ( -6.474 11.213 13.574) 18.759 20.010 ( -2.139 3.705 -1.831) 4.653 20.249 ( -1.856 3.214 -10.624) 11.254 20.346 ( 1.487 -2.576 3.787) 4.815 20.718 ( 2.918 -5.053 -7.916) 9.834 21.124 ( 2.141 -3.708 -5.637) 7.079 25.250 ( -1.035 1.793 3.891) 4.408 25.320 ( 0.414 -0.717 4.645) 4.718 25.648 ( -1.565 2.711 6.295) 7.030 25.733 ( 0.763 -1.321 -2.749) 3.144 25.930 ( -0.603 1.045 -0.735) 1.412 25.978 ( 1.101 -1.906 -3.642) 4.256 26.060 ( 0.958 -1.659 -6.096) 6.390 26.091 ( -0.142 0.246 -3.040) 3.053 26.320 ( -1.794 3.107 4.172) 5.502 26.427 ( -0.350 0.606 2.023) 2.141 26.595 ( 1.775 -3.074 8.509) 9.220 26.617 ( 1.907 -3.303 2.635) 4.635 27.103 ( -2.132 3.693 6.790) 8.018 27.119 ( -1.526 2.644 -0.299) 3.067 27.259 ( -0.295 0.511 3.356) 3.408 27.288 ( -0.349 0.604 5.000) 5.049 27.441 ( 1.262 -2.187 7.025) 7.465 27.677 ( -2.120 3.672 -3.053) 5.224 27.744 ( 0.731 -1.266 -2.415) 2.823 27.869 ( -1.112 1.927 0.780) 2.357 27.959 ( 0.663 -1.148 5.974) 6.119 28.226 ( -0.798 1.382 6.052) 6.258 28.424 ( 0.765 -1.325 3.832) 4.127 28.523 ( -2.416 4.185 3.587) 6.018 28.782 ( 0.880 -1.523 1.895) 2.586 29.258 ( -0.441 0.763 2.037) 2.219 29.479 ( 2.506 -4.340 0.042) 5.012 29.815 ( 10.108 -17.507 -8.189) 21.811 30.072 ( -0.561 0.972 12.841) 12.890 31.066 ( -10.751 18.622 -1.439) 21.551 31.709 ( 1.424 -2.467 -4.798) 5.580 32.011 ( 3.267 -5.659 -8.907) 11.047 ======================= Grid point 72 (16/56) ======================= q-point: ( 0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.015 ( 22.212 38.473 23.448) 50.233 4.352 ( 17.565 30.423 33.170) 48.315 4.847 ( -10.422 -18.051 26.071) 33.379 5.243 ( -5.407 -9.366 21.271) 23.863 5.462 ( -7.567 -13.107 11.434) 18.968 5.594 ( -10.420 -18.047 22.313) 30.531 6.684 ( 7.563 13.099 6.632) 16.516 6.689 ( -1.861 -3.224 3.937) 5.418 6.882 ( -0.868 -1.503 5.652) 5.912 7.734 ( 3.473 6.016 0.383) 6.957 7.820 ( -0.898 -1.555 -13.268) 13.389 8.303 ( -1.619 -2.804 -6.349) 7.127 8.614 ( 7.575 13.120 13.125) 20.045 8.779 ( 3.917 6.785 -0.737) 7.869 8.852 ( 3.538 6.128 21.048) 22.206 8.927 ( 5.797 10.041 3.923) 12.240 9.035 ( -4.443 -7.695 -4.140) 9.803 9.201 ( 1.448 2.508 13.036) 13.353 9.444 ( -3.048 -5.278 2.026) 6.423 9.747 ( -11.866 -20.552 18.541) 30.115 9.750 ( -11.735 -20.326 14.799) 27.747 10.151 ( 3.306 5.727 12.398) 14.052 10.577 ( -7.421 -12.853 6.432) 16.175 10.899 ( -0.917 -1.588 13.901) 14.022 11.267 ( 2.204 3.817 -12.861) 13.595 11.282 ( 7.163 12.407 2.057) 14.474 11.661 ( -1.193 -2.067 -6.951) 7.349 11.811 ( -6.822 -11.816 -4.668) 14.421 12.023 ( -6.102 -10.568 -11.982) 17.102 12.025 ( -6.248 -10.822 -6.676) 14.167 13.145 ( -0.302 -0.523 27.102) 27.109 13.159 ( 7.473 12.944 -6.511) 16.303 13.503 ( -7.501 -12.991 2.571) 15.220 13.851 ( 8.477 14.682 3.528) 17.316 14.058 ( 1.166 2.020 -7.397) 7.756 14.239 ( -4.400 -7.620 -10.218) 13.484 15.617 ( 8.200 14.203 -9.060) 18.736 15.676 ( 4.305 7.456 -2.852) 9.069 15.766 ( 0.150 0.259 -1.897) 1.921 16.677 ( -0.521 -0.902 -5.322) 5.423 17.253 ( 5.221 9.043 -7.512) 12.864 17.913 ( -1.989 -3.445 -31.172) 31.425 18.126 ( -8.094 -14.019 -33.451) 37.162 19.006 ( 7.158 12.399 9.083) 16.955 19.214 ( -1.246 -2.159 0.018) 2.493 19.464 ( -2.029 -3.514 -9.234) 10.086 19.959 ( -0.379 -0.656 12.317) 12.340 20.013 ( -3.426 -5.934 12.037) 13.851 20.307 ( 5.677 9.832 -7.634) 13.681 20.478 ( 0.252 0.436 -11.710) 11.720 20.567 ( 0.803 1.390 -7.161) 7.339 21.055 ( 0.707 1.224 -7.081) 7.221 25.277 ( 1.066 1.846 4.109) 4.629 25.309 ( -0.197 -0.341 4.282) 4.300 25.683 ( 0.937 1.623 7.454) 7.686 25.717 ( -0.176 -0.304 -3.485) 3.503 25.944 ( 0.376 0.651 -2.236) 2.359 25.949 ( 0.058 0.101 -4.041) 4.042 26.034 ( 1.187 2.056 -4.964) 5.503 26.098 ( -1.604 -2.779 -3.854) 5.015 26.353 ( 3.608 6.248 4.940) 8.744 26.469 ( 0.954 1.652 2.438) 3.096 26.526 ( -3.032 -5.251 7.177) 9.396 26.583 ( -2.434 -4.215 1.988) 5.258 27.146 ( 1.161 2.010 4.926) 5.445 27.155 ( 0.481 0.834 2.384) 2.571 27.248 ( 2.353 4.076 3.592) 5.921 27.339 ( -1.127 -1.952 8.515) 8.808 27.380 ( -1.566 -2.712 3.084) 4.396 27.709 ( 2.566 4.445 -1.644) 5.389 27.741 ( 0.969 1.678 -5.006) 5.368 27.905 ( -0.169 -0.292 -0.228) 0.407 27.940 ( -1.300 -2.251 7.338) 7.785 28.243 ( 2.436 4.220 7.148) 8.651 28.400 ( -4.178 -7.236 6.986) 10.891 28.593 ( 2.575 4.459 4.040) 6.545 28.747 ( -3.121 -5.405 5.641) 8.413 29.303 ( 2.909 5.039 -3.697) 6.894 29.466 ( -2.640 -4.573 -1.769) 5.569 29.546 ( -5.919 -10.252 -7.009) 13.758 30.083 ( -0.121 -0.210 12.745) 12.747 31.418 ( 6.031 10.446 -2.251) 12.271 31.506 ( 6.079 10.529 -4.783) 13.065 31.976 ( -9.174 -15.890 -8.283) 20.131 ======================= Grid point 76 (17/56) ======================= q-point: (-0.14 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -20.856 36.124 25.617) 48.950 2.618 ( -24.014 41.593 40.950) 63.115 4.308 ( -38.610 66.875 51.296) 92.705 5.677 ( 6.874 -11.905 22.149) 26.068 5.727 ( 7.735 -13.397 18.019) 23.749 6.163 ( 9.350 -16.195 11.791) 22.108 6.366 ( 6.298 -10.909 11.547) 17.088 7.099 ( -2.107 3.650 2.597) 4.951 7.318 ( 16.772 -29.051 -4.143) 33.800 7.472 ( -9.027 15.634 4.742) 18.665 7.956 ( -7.114 12.322 3.669) 14.693 8.088 ( 0.492 -0.853 16.643) 16.672 8.268 ( -0.086 0.149 -9.290) 9.291 8.617 ( -1.294 2.242 20.283) 20.448 8.646 ( 4.527 -7.840 11.157) 14.368 9.086 ( -1.985 3.438 2.989) 4.969 9.399 ( 3.679 -6.373 -16.543) 18.106 9.542 ( 6.644 -11.508 -7.687) 15.351 9.838 ( 2.617 -4.533 9.137) 10.530 9.852 ( 0.891 -1.544 1.926) 2.625 10.377 ( 6.974 -12.079 10.246) 17.306 10.524 ( 5.544 -9.603 2.044) 11.275 10.970 ( 9.873 -17.101 -0.744) 19.761 11.014 ( -1.678 2.907 12.678) 13.115 11.470 ( 0.910 -1.576 8.646) 8.835 11.476 ( -2.577 4.463 3.148) 6.039 11.791 ( 3.416 -5.917 5.626) 8.850 11.872 ( 2.326 -4.029 0.610) 4.692 12.478 ( -0.981 1.699 -3.250) 3.796 12.591 ( -1.719 2.977 0.082) 3.439 12.862 ( 4.936 -8.550 5.265) 11.188 12.942 ( 4.929 -8.538 -5.429) 11.255 13.716 ( -13.181 22.829 3.034) 26.535 13.788 ( 23.653 -40.968 4.453) 47.514 14.334 ( 4.673 -8.094 2.675) 9.721 14.418 ( -6.983 12.095 -7.569) 15.885 15.024 ( -6.507 11.271 -15.570) 20.293 15.047 ( -1.362 2.358 -10.685) 11.027 15.484 ( 6.121 -10.601 -0.498) 12.251 16.753 ( -11.480 19.883 2.011) 23.047 16.788 ( -2.830 4.901 0.349) 5.670 17.625 ( -0.137 0.237 -19.049) 19.051 18.460 ( -12.282 21.274 -9.165) 26.219 18.502 ( -8.384 14.522 -6.807) 18.098 19.336 ( 9.441 -16.352 -20.824) 28.110 19.499 ( 2.909 -5.038 -14.671) 15.782 19.925 ( 5.325 -9.224 -11.103) 15.386 19.943 ( -0.214 0.371 -3.028) 3.058 20.354 ( -0.600 1.039 -4.870) 5.016 20.356 ( -5.971 10.343 -2.541) 12.210 20.592 ( -12.184 21.103 1.563) 24.417 20.753 ( 2.763 -4.786 0.563) 5.556 25.235 ( -1.559 2.700 4.911) 5.817 25.246 ( -1.201 2.079 1.261) 2.712 25.555 ( 0.000 -0.001 5.754) 5.754 25.755 ( -3.036 5.259 1.974) 6.385 25.809 ( -1.400 2.425 -1.711) 3.282 25.822 ( -1.994 3.453 -0.445) 4.012 26.032 ( -3.234 5.602 -2.020) 6.777 26.076 ( 0.828 -1.434 0.126) 1.660 26.282 ( 0.059 -0.102 -7.815) 7.816 26.357 ( -3.006 5.206 -5.008) 7.824 26.773 ( 3.089 -5.350 6.382) 8.882 26.891 ( 1.035 -1.793 10.359) 10.564 26.978 ( -0.051 0.089 8.304) 8.304 27.045 ( 2.011 -3.483 2.476) 4.723 27.215 ( -0.508 0.881 4.127) 4.251 27.270 ( 0.334 -0.578 7.139) 7.171 27.371 ( -0.638 1.105 2.375) 2.696 27.419 ( -1.243 2.153 -0.015) 2.486 27.760 ( -3.480 6.028 8.135) 10.707 27.952 ( 2.190 -3.793 -1.422) 4.604 28.053 ( -0.489 0.848 2.652) 2.827 28.084 ( 1.431 -2.478 1.224) 3.113 28.654 ( 4.280 -7.413 1.558) 8.701 28.671 ( 4.328 -7.497 0.940) 8.707 28.865 ( 3.974 -6.883 -2.945) 8.476 29.429 ( 2.087 -3.615 2.136) 4.689 29.849 ( 2.396 -4.151 0.763) 4.853 30.140 ( 2.630 -4.556 2.129) 5.675 30.157 ( 2.395 -4.148 15.525) 16.247 30.789 ( -6.699 11.603 -6.058) 14.704 30.855 ( -8.765 15.182 -5.657) 18.421 32.584 ( 6.878 -11.914 -8.506) 16.174 ======================= Grid point 84 (18/56) ======================= q-point: (-0.29 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -30.081 35.847 15.245) 49.217 3.557 ( -31.711 34.869 34.298) 58.290 4.967 ( 29.678 -6.637 17.513) 35.094 5.354 ( 18.407 -16.093 17.971) 30.344 5.767 ( -1.335 -1.557 22.016) 22.111 5.982 ( -27.468 28.168 26.322) 47.337 6.213 ( -15.620 -24.988 7.853) 30.497 6.803 ( 9.305 -15.695 2.617) 18.432 7.104 ( -7.394 -5.886 9.850) 13.651 7.926 ( 3.486 25.588 8.312) 27.129 8.032 ( -0.036 12.211 11.370) 16.685 8.212 ( 3.228 2.560 -2.822) 4.994 8.267 ( -8.538 2.875 -4.285) 9.976 8.650 ( -3.148 6.578 15.665) 17.279 8.694 ( -5.351 9.248 11.809) 15.925 9.015 ( 6.397 -5.528 5.049) 9.847 9.195 ( 11.066 -0.482 -5.644) 12.431 9.438 ( 0.451 -7.504 0.856) 7.566 9.648 ( 17.545 -8.564 0.800) 19.540 9.735 ( 3.956 -11.359 17.341) 21.104 9.969 ( 18.652 -8.135 8.937) 22.225 10.375 ( -10.018 -19.016 5.871) 22.281 10.581 ( 8.266 -15.529 -3.976) 18.035 11.073 ( 1.282 6.306 16.059) 17.300 11.292 ( 8.298 -2.654 8.342) 12.062 11.618 ( 0.115 -1.148 -2.641) 2.882 11.711 ( -2.725 -1.166 -3.343) 4.467 11.863 ( -7.060 -3.676 -9.202) 12.167 12.329 ( 14.725 -15.126 -19.437) 28.695 12.462 ( 10.775 -1.792 3.998) 11.631 12.658 ( -2.754 -18.711 6.150) 19.887 12.982 ( -5.414 0.910 -1.454) 5.679 13.250 ( -2.198 -7.953 12.727) 15.168 13.988 ( 6.940 5.734 3.645) 9.712 14.252 ( -7.009 0.482 5.735) 9.069 14.589 ( 3.868 9.422 -1.206) 10.257 15.084 ( 3.718 13.788 -16.563) 21.869 15.248 ( 6.777 11.745 -8.744) 16.135 15.398 ( -8.980 1.643 -9.796) 13.391 16.925 ( -10.071 5.574 -7.940) 13.983 17.288 ( -20.285 4.661 -4.579) 21.311 17.713 ( -10.646 -2.153 -15.762) 19.142 18.614 ( 6.157 10.478 -15.758) 19.900 18.793 ( -1.136 8.632 -10.759) 13.841 18.930 ( 9.378 -13.513 -18.352) 24.645 19.421 ( -2.627 -12.560 -12.953) 18.233 19.730 ( 7.520 -5.576 2.283) 9.636 19.883 ( 4.051 -2.280 1.198) 4.801 20.381 ( -2.355 1.451 -0.731) 2.861 20.527 ( 4.715 9.776 -2.321) 11.099 20.767 ( -8.113 3.812 -1.160) 9.039 21.018 ( -11.223 11.816 -0.776) 16.314 25.259 ( 1.241 3.438 3.550) 5.095 25.318 ( -3.028 1.250 4.592) 5.640 25.551 ( -0.302 -1.377 4.198) 4.429 25.817 ( 0.491 2.990 0.778) 3.128 25.872 ( -2.789 2.554 -0.486) 3.813 25.970 ( -5.536 6.469 -1.448) 8.637 26.045 ( 0.763 -0.494 0.537) 1.056 26.148 ( -3.130 4.720 -1.902) 5.975 26.265 ( 1.519 -0.424 -5.949) 6.155 26.437 ( -1.722 1.342 0.827) 2.335 26.630 ( 4.296 -6.784 8.904) 11.990 26.785 ( 4.386 -4.216 9.850) 11.577 26.986 ( -0.121 1.146 4.086) 4.246 27.046 ( -1.303 0.128 -1.021) 1.660 27.237 ( -0.841 1.418 2.258) 2.796 27.277 ( -0.618 -0.336 5.133) 5.181 27.405 ( -1.779 0.292 4.585) 4.927 27.492 ( -3.944 1.999 -2.774) 5.220 27.845 ( 2.956 0.194 0.960) 3.114 27.882 ( -0.894 1.352 3.224) 3.608 28.011 ( 3.032 -1.440 1.788) 3.803 28.102 ( -4.120 0.053 3.753) 5.573 28.454 ( 6.399 -8.772 2.147) 11.068 28.509 ( 4.777 -5.242 -2.049) 7.383 28.738 ( 1.381 -6.747 -3.276) 7.626 29.419 ( 0.859 5.106 6.735) 8.496 29.756 ( 6.545 2.540 5.142) 8.702 30.024 ( 1.739 -4.892 10.104) 11.360 30.105 ( -3.615 -10.471 7.471) 13.361 30.901 ( 7.568 18.601 -7.450) 21.419 31.296 ( -21.322 5.643 -7.815) 23.399 32.282 ( 10.546 -13.570 -9.064) 19.430 ======================= Grid point 90 (19/56) ======================= q-point: (-0.43 0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( 9.648 16.710 12.209) 22.834 4.262 ( 0.954 1.652 16.708) 16.817 4.448 ( 6.655 11.527 33.806) 36.332 4.782 ( 3.266 5.657 17.095) 18.300 5.764 ( -6.400 -11.086 28.048) 30.831 6.004 ( -17.406 -30.149 3.501) 34.988 6.554 ( -1.982 -3.434 4.902) 6.305 6.918 ( -11.215 -19.426 3.749) 22.742 7.213 ( 6.255 10.834 18.792) 22.575 7.977 ( 8.997 15.584 8.410) 19.863 8.079 ( 3.326 5.761 5.814) 8.835 8.205 ( 4.526 7.839 -3.249) 9.617 8.583 ( 5.959 10.321 5.650) 13.189 8.584 ( 8.620 14.929 3.941) 17.684 8.804 ( 1.847 3.199 17.491) 17.877 8.873 ( 0.466 0.808 2.005) 2.211 9.046 ( 0.478 0.827 13.265) 13.299 9.234 ( 1.929 3.341 20.921) 21.274 9.475 ( -4.159 -7.203 13.420) 15.789 9.535 ( 2.553 4.422 -2.886) 5.865 9.787 ( -7.003 -12.130 -3.709) 14.489 10.377 ( -5.077 -8.793 -2.672) 10.499 10.449 ( -12.410 -21.495 10.021) 26.767 11.130 ( -0.005 -0.009 25.580) 25.580 11.164 ( 6.721 11.640 -3.897) 13.995 11.496 ( -0.594 -1.029 -2.334) 2.619 11.905 ( 3.313 5.739 -4.072) 7.778 11.916 ( -6.487 -11.236 -23.176) 26.561 12.035 ( -9.670 -16.748 -7.470) 20.732 12.250 ( -1.532 -2.653 -0.930) 3.201 12.629 ( -5.682 -9.842 6.625) 13.155 12.999 ( 4.053 7.019 -2.390) 8.450 13.336 ( -7.553 -13.082 10.166) 18.209 13.887 ( 7.664 13.275 7.102) 16.894 14.370 ( 5.053 8.752 7.058) 12.326 14.551 ( 2.894 5.012 -2.296) 6.227 15.134 ( 5.102 8.837 -18.377) 21.020 15.259 ( 7.955 13.778 -2.847) 16.162 15.525 ( -3.340 -5.786 -14.651) 16.102 17.058 ( -3.283 -5.686 -15.694) 17.012 17.560 ( -0.436 -0.756 -0.612) 1.066 17.821 ( -5.157 -8.931 -19.842) 22.362 18.506 ( -4.263 -7.384 -23.990) 25.460 18.785 ( 0.838 1.452 -14.558) 14.655 18.874 ( 8.293 14.364 -8.303) 18.549 19.398 ( -7.230 -12.524 -14.931) 20.786 19.568 ( -0.145 -0.251 14.392) 14.395 19.828 ( -0.669 -1.159 0.658) 1.491 20.436 ( -1.096 -1.899 -2.809) 3.563 20.494 ( 8.325 14.419 -1.204) 16.694 20.909 ( 1.853 3.210 1.831) 4.134 21.188 ( -1.291 -2.237 -2.678) 3.720 25.266 ( 1.724 2.987 3.649) 5.021 25.358 ( 0.181 0.314 5.958) 5.969 25.543 ( -1.291 -2.237 2.617) 3.677 25.826 ( 2.029 3.515 0.394) 4.078 25.930 ( 0.653 1.130 0.958) 1.619 25.998 ( -0.719 -1.245 -1.706) 2.231 26.140 ( 2.128 3.686 -3.550) 5.543 26.163 ( 1.604 2.779 -2.698) 4.192 26.262 ( -0.343 -0.594 -1.506) 1.655 26.443 ( -0.075 -0.130 4.612) 4.614 26.544 ( -2.876 -4.982 10.355) 11.845 26.711 ( 0.019 0.033 5.523) 5.523 26.996 ( 0.223 0.386 2.946) 2.979 27.058 ( -0.218 -0.378 -1.180) 1.258 27.265 ( 0.260 0.451 3.092) 3.135 27.272 ( 0.006 0.010 3.368) 3.368 27.426 ( -0.632 -1.094 5.605) 5.745 27.561 ( -0.696 -1.206 -6.168) 6.323 27.779 ( 0.180 0.312 1.169) 1.223 27.923 ( -1.713 -2.967 1.046) 3.582 27.961 ( 3.157 5.468 3.669) 7.303 28.190 ( -0.603 -1.044 5.481) 5.612 28.292 ( -2.916 -5.051 2.289) 6.266 28.436 ( 0.371 0.643 -2.347) 2.462 28.686 ( -3.298 -5.713 -3.941) 7.684 29.452 ( 4.418 7.653 7.803) 11.789 29.697 ( 2.639 4.570 8.292) 9.829 29.984 ( -1.571 -2.720 10.678) 11.130 30.079 ( -6.648 -11.515 5.649) 14.447 30.929 ( 10.169 17.613 -7.906) 21.821 31.614 ( -3.566 -6.177 -9.229) 11.664 32.022 ( -2.847 -4.932 -8.355) 10.111 ======================= Grid point 92 (20/56) ======================= q-point: (-0.29 0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.718 ( -23.354 40.451 10.157) 47.800 4.233 ( -11.420 19.780 26.437) 34.937 4.786 ( 6.197 -10.733 25.206) 28.088 4.979 ( 8.050 -13.943 6.190) 17.249 5.475 ( 8.126 -14.075 20.562) 26.210 5.533 ( 12.643 -21.898 18.717) 31.459 6.594 ( 1.971 -3.415 2.793) 4.832 6.609 ( -3.444 5.965 3.936) 7.934 7.301 ( -9.972 17.272 21.370) 29.231 8.094 ( -9.546 16.535 15.163) 24.382 8.209 ( -0.989 1.714 -6.958) 7.234 8.306 ( -0.885 1.533 -1.215) 2.147 8.661 ( -9.439 16.349 8.755) 20.810 8.829 ( -3.580 6.200 9.899) 12.217 8.905 ( 0.848 -1.469 4.206) 4.535 8.925 ( -4.038 6.994 17.024) 18.842 9.159 ( 0.766 -1.326 -0.773) 1.715 9.211 ( 11.945 -20.690 7.383) 25.005 9.454 ( 6.552 -11.348 15.905) 20.608 9.470 ( -0.307 0.532 8.231) 8.254 9.716 ( 10.134 -17.553 10.909) 23.018 10.049 ( -0.030 0.052 12.219) 12.219 10.301 ( 7.356 -12.742 -0.344) 14.717 11.126 ( -0.180 0.312 28.007) 28.009 11.296 ( -3.476 6.020 -2.675) 7.448 11.499 ( 1.314 -2.276 -14.138) 14.380 11.659 ( 8.397 -14.544 -11.511) 20.360 11.761 ( 10.014 -17.345 -17.400) 26.531 12.032 ( -9.746 16.881 -6.145) 20.438 12.390 ( 2.436 -4.219 4.218) 6.444 12.503 ( 3.163 -5.478 15.403) 16.651 13.066 ( -2.178 3.772 -7.548) 8.714 13.148 ( 2.191 -3.795 -2.909) 5.259 14.218 ( -3.232 5.597 9.908) 11.829 14.266 ( -5.224 9.048 5.485) 11.800 14.600 ( 4.366 -7.562 1.681) 8.892 15.297 ( -1.280 2.217 -22.369) 22.515 15.415 ( -4.827 8.361 -14.420) 17.353 15.498 ( -1.561 2.703 -10.971) 11.406 16.937 ( -0.264 0.457 8.279) 8.296 17.513 ( -3.828 6.629 0.486) 7.670 17.791 ( -7.515 13.016 -32.785) 36.066 18.356 ( 13.782 -23.872 -31.716) 42.021 18.901 ( -3.051 5.284 -11.277) 12.822 18.956 ( -2.957 5.121 -11.221) 12.684 19.241 ( 3.448 -5.972 -16.476) 17.861 19.631 ( 0.506 -0.876 11.360) 11.405 19.779 ( 3.844 -6.657 12.330) 14.530 20.401 ( -0.289 0.500 -9.355) 9.373 20.820 ( -3.658 6.335 3.539) 8.126 20.833 ( -5.529 9.576 1.002) 11.103 21.126 ( 1.054 -1.825 -2.689) 3.416 25.328 ( -0.842 1.459 5.635) 5.882 25.340 ( -0.913 1.582 4.492) 4.849 25.513 ( 1.005 -1.740 0.942) 2.220 25.892 ( -1.605 2.780 3.837) 5.003 25.921 ( -1.441 2.495 -1.490) 3.244 25.990 ( 1.381 -2.392 -0.574) 2.821 26.157 ( -4.327 7.494 -0.981) 8.709 26.230 ( -1.419 2.458 -4.410) 5.245 26.251 ( 0.645 -1.118 -4.426) 4.610 26.434 ( 0.625 -1.082 8.334) 8.427 26.477 ( 3.618 -6.267 8.925) 11.490 26.711 ( 1.086 -1.881 5.747) 6.144 27.014 ( -0.699 1.211 1.269) 1.888 27.046 ( 0.288 -0.499 -0.502) 0.764 27.266 ( -0.724 1.254 2.686) 3.052 27.279 ( -0.044 0.076 3.864) 3.865 27.410 ( -0.050 0.086 5.368) 5.368 27.543 ( -1.121 1.942 -7.150) 7.493 27.806 ( 0.380 -0.659 -1.308) 1.513 27.867 ( 1.807 -3.130 0.203) 3.620 28.058 ( -2.088 3.617 5.829) 7.170 28.123 ( -1.595 2.763 5.034) 5.960 28.261 ( 4.774 -8.268 4.908) 10.735 28.472 ( -0.697 1.207 -4.154) 4.382 28.593 ( 3.402 -5.892 -4.815) 8.335 29.561 ( -4.148 7.184 5.575) 9.994 29.808 ( -0.154 0.266 11.938) 11.942 29.855 ( 4.133 -7.159 10.009) 12.982 29.955 ( 2.010 -3.482 9.088) 9.938 31.259 ( -5.803 10.051 -9.999) 15.319 31.404 ( -3.819 6.615 -9.418) 12.126 31.980 ( 7.286 -12.619 -8.142) 16.692 ======================= Grid point 110 (21/56) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.000 0.000 60.803) 60.803 2.397 ( 0.000 -0.000 60.803) 60.803 4.503 ( 0.000 -0.000 103.442) 103.442 6.286 ( 0.000 0.000 5.529) 5.529 6.286 ( 0.000 0.000 5.529) 5.529 6.532 ( 0.000 -0.000 3.944) 3.944 6.836 ( 0.000 0.000 13.672) 13.672 6.836 ( 0.000 -0.000 13.672) 13.672 7.415 ( -0.000 0.000 -11.654) 11.654 7.988 ( -0.000 0.000 18.700) 18.700 8.205 ( -0.000 0.000 -7.450) 7.450 8.205 ( 0.000 0.000 -7.450) 7.450 8.585 ( 0.000 0.000 -1.382) 1.382 8.596 ( 0.000 0.000 -7.887) 7.887 8.596 ( 0.000 -0.000 -7.887) 7.887 9.281 ( 0.000 -0.000 37.679) 37.679 9.446 ( 0.000 0.000 19.585) 19.585 9.446 ( 0.000 0.000 19.585) 19.585 10.564 ( 0.000 -0.000 -6.338) 6.338 10.627 ( -0.000 0.000 7.739) 7.739 10.627 ( 0.000 0.000 7.739) 7.739 10.725 ( -0.000 0.000 14.408) 14.408 10.802 ( 0.000 0.000 13.442) 13.442 10.802 ( 0.000 0.000 13.442) 13.442 11.825 ( 0.000 0.000 9.992) 9.992 11.825 ( 0.000 0.000 9.992) 9.992 12.399 ( -0.000 0.000 -22.287) 22.287 12.532 ( -0.000 0.000 7.542) 7.542 12.532 ( 0.000 0.000 7.542) 7.542 12.592 ( -0.000 0.000 30.966) 30.966 12.623 ( -0.000 0.000 -6.030) 6.030 13.068 ( -0.000 -0.000 -2.764) 2.764 13.068 ( 0.000 0.000 -2.764) 2.764 13.892 ( 0.000 -0.000 -7.212) 7.212 13.892 ( 0.000 -0.000 -7.212) 7.212 14.277 ( -0.000 0.000 -15.208) 15.208 14.595 ( 0.000 -0.000 -4.405) 4.405 16.075 ( 0.000 -0.000 -5.166) 5.166 16.486 ( 0.000 0.000 4.729) 4.729 16.515 ( 0.000 0.000 3.327) 3.327 16.515 ( 0.000 0.000 3.327) 3.327 17.316 ( 0.000 0.000 -5.210) 5.210 17.316 ( 0.000 0.000 -5.210) 5.210 17.582 ( 0.000 -0.000 -5.031) 5.031 19.289 ( 0.000 0.000 -27.282) 27.282 19.289 ( 0.000 0.000 -27.282) 27.282 19.424 ( -0.000 0.000 -13.254) 13.254 19.711 ( -0.000 0.000 -33.215) 33.215 19.750 ( 0.000 0.000 -24.816) 24.816 19.750 ( 0.000 -0.000 -24.816) 24.816 20.451 ( -0.000 0.000 10.277) 10.277 21.078 ( -0.000 0.000 5.865) 5.865 25.238 ( 0.000 0.000 5.288) 5.288 25.238 ( 0.000 0.000 5.288) 5.288 25.651 ( 0.000 0.000 0.716) 0.716 25.651 ( 0.000 -0.000 0.716) 0.716 25.692 ( 0.000 0.000 2.797) 2.797 25.790 ( 0.000 0.000 1.605) 1.605 25.790 ( 0.000 0.000 1.605) 1.605 26.101 ( 0.000 0.000 -1.188) 1.188 26.101 ( 0.000 0.000 -1.188) 1.188 26.110 ( 0.000 -0.000 -7.542) 7.542 26.917 ( 0.000 0.000 3.682) 3.682 26.917 ( 0.000 0.000 3.682) 3.682 27.240 ( 0.000 0.000 -0.142) 0.142 27.240 ( 0.000 -0.000 -0.142) 0.142 27.379 ( -0.000 0.000 18.920) 18.920 27.430 ( 0.000 -0.000 7.957) 7.957 27.430 ( 0.000 0.000 7.957) 7.957 27.741 ( 0.000 0.000 8.831) 8.831 27.741 ( 0.000 0.000 8.831) 8.831 28.089 ( -0.000 0.000 4.819) 4.819 28.092 ( -0.000 0.000 2.119) 2.119 28.092 ( 0.000 -0.000 2.119) 2.119 28.898 ( 0.000 -0.000 -7.781) 7.781 28.921 ( 0.000 0.000 4.358) 4.358 28.921 ( 0.000 -0.000 4.358) 4.358 29.524 ( -0.000 0.000 -14.857) 14.857 30.101 ( 0.000 0.000 -0.550) 0.550 30.101 ( 0.000 -0.000 -0.550) 0.550 30.381 ( 0.000 -0.000 -1.773) 1.773 30.381 ( 0.000 -0.000 -1.773) 1.773 30.632 ( -0.000 0.000 23.852) 23.852 32.727 ( -0.000 0.000 -11.123) 11.123 ======================= Grid point 111 (22/56) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 8.615 19.157 53.023) 57.032 2.835 ( 30.071 9.143 51.284) 60.149 4.899 ( 30.593 16.053 90.876) 97.222 6.103 ( -14.380 -9.846 4.649) 18.037 6.297 ( -2.442 2.295 7.551) 8.261 6.544 ( 5.155 -7.051 9.901) 13.203 6.813 ( -1.234 5.082 15.513) 16.371 6.968 ( 6.679 9.756 14.053) 18.366 7.477 ( 1.082 -2.601 -11.085) 11.437 7.796 ( -13.805 -4.745 10.081) 17.741 7.956 ( -13.474 -2.785 -0.446) 13.766 8.207 ( -9.521 -1.388 -2.061) 9.840 8.291 ( 4.983 0.858 2.623) 5.696 8.602 ( 11.396 -19.537 -9.900) 24.690 9.087 ( 5.651 18.677 -0.620) 19.523 9.216 ( -6.129 -8.991 19.289) 22.146 9.366 ( -3.582 4.442 25.876) 26.498 9.519 ( 4.002 -1.791 19.024) 19.523 10.075 ( -13.816 -13.668 7.067) 20.679 10.257 ( -18.086 -0.479 10.950) 21.148 10.515 ( -3.198 -4.707 4.728) 7.398 10.879 ( -4.752 10.473 7.125) 13.530 10.968 ( 7.296 -11.945 8.071) 16.157 11.202 ( 8.617 1.638 7.129) 11.303 11.487 ( -4.596 -12.089 8.218) 15.324 11.769 ( -12.486 9.872 8.899) 18.236 12.228 ( -7.848 -14.458 12.049) 20.391 12.312 ( -8.457 -12.507 5.321) 16.008 12.494 ( -7.694 7.534 17.143) 20.245 12.637 ( 5.386 -3.195 -7.532) 9.795 12.822 ( -4.342 7.869 -5.249) 10.408 13.056 ( -1.582 2.314 -1.433) 3.148 13.285 ( 23.797 11.618 -0.261) 26.483 13.899 ( 6.554 -4.992 -15.123) 17.222 14.136 ( 4.596 15.678 -9.655) 18.978 14.414 ( -8.045 -7.825 -4.963) 12.271 14.484 ( 10.298 -0.232 -9.920) 14.301 15.556 ( -39.593 -11.060 8.234) 41.925 15.865 ( -31.441 -6.456 5.430) 32.553 16.202 ( 3.249 -19.802 -9.087) 22.028 16.786 ( 20.662 -5.296 -2.204) 21.444 17.461 ( -5.717 27.587 -8.880) 29.539 17.823 ( 17.455 5.356 -5.018) 18.935 18.032 ( 28.388 14.487 -9.728) 33.323 19.001 ( -14.381 -13.391 -25.902) 32.512 19.322 ( 5.068 -0.828 -24.984) 25.507 19.465 ( 3.106 10.128 -21.154) 23.658 19.658 ( -0.964 1.004 -27.723) 27.758 19.936 ( 11.945 3.922 -21.286) 24.721 20.124 ( 20.495 10.247 -12.612) 26.156 20.388 ( -2.649 -1.555 9.523) 10.006 20.969 ( -8.134 -5.502 5.374) 11.194 25.249 ( 1.995 -0.421 5.257) 5.638 25.302 ( 2.857 3.279 5.051) 6.665 25.663 ( 1.344 0.435 3.146) 3.449 25.696 ( 3.231 1.722 0.267) 3.671 25.746 ( 1.483 1.832 0.034) 2.357 25.807 ( 1.234 1.793 1.667) 2.742 25.856 ( 6.398 0.878 -0.410) 6.471 26.085 ( -0.365 -0.567 -1.707) 1.835 26.132 ( 0.906 0.933 -5.832) 5.976 26.170 ( 5.562 3.225 -2.021) 6.740 26.906 ( -1.236 0.324 3.808) 4.016 26.943 ( 2.396 -0.121 3.333) 4.106 27.207 ( -2.715 -3.447 4.606) 6.362 27.223 ( -0.444 -1.541 2.445) 2.924 27.347 ( -3.829 1.078 9.636) 10.425 27.402 ( -1.451 1.401 5.924) 6.258 27.466 ( 1.993 0.320 9.565) 9.775 27.627 ( -7.344 0.966 9.407) 11.973 27.802 ( 5.387 -4.032 9.721) 11.823 28.035 ( -3.438 -0.075 2.984) 4.553 28.110 ( 1.323 -0.099 3.171) 3.437 28.133 ( 1.041 1.661 4.116) 4.559 28.789 ( -6.231 -2.880 -1.847) 7.109 28.817 ( -6.721 -6.060 -0.828) 9.087 28.952 ( -3.315 3.575 0.707) 4.926 29.445 ( -2.770 -3.483 -7.115) 8.392 29.960 ( -7.867 -4.068 1.875) 9.053 30.125 ( 4.904 -8.488 -0.996) 9.853 30.454 ( 1.321 3.071 0.148) 3.346 30.551 ( 9.885 5.456 1.327) 11.369 30.646 ( 2.305 6.795 13.156) 14.986 32.601 ( -9.643 -4.872 -10.793) 15.271 ======================= Grid point 112 (23/56) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 19.280 28.516 40.097) 52.845 3.640 ( 40.236 17.623 37.128) 57.515 5.488 ( -18.085 -9.570 18.074) 27.301 5.882 ( 27.419 16.508 49.396) 58.858 6.169 ( -12.893 -4.857 6.431) 15.204 6.466 ( -0.783 -3.082 24.195) 24.403 6.890 ( -8.453 -1.675 18.579) 20.480 7.156 ( 13.504 -4.676 12.381) 18.908 7.390 ( -5.600 14.202 9.386) 17.921 7.617 ( 0.852 1.401 14.119) 14.214 7.918 ( 5.834 -4.129 3.455) 7.938 8.055 ( -2.260 -6.997 -10.847) 13.104 8.390 ( 7.459 -4.916 -10.110) 13.492 8.574 ( -2.399 -2.772 10.543) 11.163 8.942 ( -3.529 -5.371 4.393) 7.785 9.210 ( -5.980 4.658 14.137) 16.041 9.293 ( -1.567 -3.289 7.827) 8.633 9.625 ( 5.839 0.015 19.081) 19.954 9.823 ( -9.712 -3.154 9.632) 14.037 10.112 ( 3.437 -1.491 10.305) 10.965 10.406 ( -9.207 -5.023 9.956) 14.461 10.615 ( -15.339 -14.779 13.773) 25.365 10.767 ( -12.090 1.761 3.332) 12.664 11.266 ( 3.792 -7.476 5.658) 10.113 11.468 ( 1.965 0.439 -8.785) 9.013 11.592 ( -15.373 2.663 8.292) 17.669 11.827 ( -10.871 -12.664 15.039) 22.466 12.202 ( -2.709 -10.079 17.041) 19.983 12.377 ( -4.869 -15.183 -4.348) 16.527 12.569 ( -12.065 21.036 9.544) 26.061 12.860 ( -3.571 0.705 -4.118) 5.496 13.039 ( 0.483 5.330 -2.866) 6.071 13.759 ( -0.601 4.340 -3.841) 5.827 13.886 ( 5.277 -6.406 -3.473) 8.997 14.106 ( 1.600 -13.262 -9.841) 16.592 14.358 ( 4.525 10.460 -9.333) 14.731 14.561 ( 2.096 -5.663 -0.192) 6.042 15.148 ( -13.651 -2.296 -2.061) 13.995 15.342 ( -9.003 11.937 1.493) 15.026 16.231 ( 7.763 -5.186 -25.872) 27.505 17.081 ( 17.335 -6.894 -7.882) 20.252 17.716 ( 2.862 25.878 -7.363) 27.057 18.033 ( 3.282 -4.373 -19.654) 20.400 18.340 ( -0.398 1.190 -19.201) 19.241 18.772 ( -2.162 1.089 -16.020) 16.202 19.368 ( 0.398 -1.719 -23.608) 23.674 19.599 ( -3.288 10.398 -9.144) 14.232 19.746 ( 6.910 0.551 -12.276) 14.098 20.192 ( 8.654 6.115 -14.131) 17.663 20.406 ( 5.914 1.366 1.968) 6.381 20.608 ( 15.215 1.859 -3.609) 15.747 20.750 ( -0.237 -2.937 1.204) 3.183 25.288 ( 1.865 0.508 5.380) 5.717 25.390 ( 3.418 2.087 5.837) 7.079 25.691 ( 0.438 1.084 4.942) 5.078 25.754 ( 0.421 -1.061 -0.342) 1.192 25.796 ( 4.295 1.575 -2.100) 5.034 25.876 ( 3.254 2.220 0.962) 4.055 25.968 ( 4.219 -0.892 -2.405) 4.938 26.091 ( 0.731 0.646 -0.064) 0.978 26.167 ( 1.862 2.873 -3.193) 4.681 26.340 ( 7.612 3.235 -1.467) 8.400 26.862 ( -3.317 -1.429 5.113) 6.260 26.981 ( 1.863 -3.646 4.342) 5.968 27.084 ( -5.092 -2.263 6.268) 8.387 27.188 ( -1.991 -0.834 7.109) 7.430 27.286 ( -2.439 1.764 3.312) 4.476 27.420 ( -0.882 4.325 1.664) 4.717 27.481 ( -1.439 0.412 6.709) 6.874 27.562 ( -1.024 2.329 7.804) 8.208 27.853 ( 5.767 -6.353 8.299) 11.938 27.968 ( -4.094 1.003 4.506) 6.170 28.111 ( -1.651 0.556 2.865) 3.353 28.176 ( 1.901 1.516 4.867) 5.441 28.580 ( -9.818 -3.718 -2.687) 10.837 28.660 ( -5.892 -1.780 -0.765) 6.202 28.862 ( -9.143 2.569 -0.001) 9.497 29.418 ( 3.137 -3.080 1.031) 4.516 29.798 ( -2.319 -7.727 5.769) 9.918 30.101 ( 5.501 -13.542 -1.566) 14.700 30.424 ( -3.872 -0.717 13.860) 14.408 30.669 ( -0.380 7.951 3.064) 8.529 30.990 ( 15.761 13.330 -8.259) 22.233 32.313 ( -14.270 -6.885 -11.719) 19.707 ======================= Grid point 113 (24/56) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.700 ( 18.597 24.460 30.160) 43.056 4.590 ( 34.078 20.565 29.462) 49.520 4.857 ( -22.191 -8.900 16.176) 28.867 5.545 ( -33.698 -15.195 19.491) 41.789 6.343 ( 3.122 3.130 21.304) 21.758 6.588 ( -5.903 -3.176 17.970) 19.179 6.961 ( 19.776 8.531 25.597) 33.453 7.146 ( 6.177 2.621 18.234) 19.429 7.581 ( -2.170 15.800 7.813) 17.759 7.704 ( 5.036 -21.056 7.676) 22.970 7.949 ( 6.185 -18.278 0.887) 19.317 8.018 ( 4.463 3.860 3.310) 6.766 8.419 ( -2.455 7.054 -13.389) 15.332 8.580 ( 3.045 5.626 13.709) 15.128 8.928 ( 5.446 -2.457 15.820) 16.911 9.264 ( 4.608 5.164 14.552) 16.114 9.305 ( 7.440 -4.876 -2.130) 9.147 9.506 ( -10.803 -7.378 24.699) 27.950 9.676 ( -6.330 -6.650 20.721) 22.664 9.996 ( -16.173 -6.113 24.382) 29.890 10.272 ( 10.553 -6.952 5.472) 13.771 10.297 ( -8.465 3.799 8.482) 12.570 10.624 ( -5.689 5.964 4.413) 9.349 11.089 ( -8.938 -3.235 6.637) 11.593 11.351 ( -8.781 -14.896 -5.724) 18.214 11.528 ( -2.853 6.060 -8.021) 10.449 11.719 ( 9.745 6.279 -0.684) 11.612 11.989 ( -5.258 -8.638 20.916) 23.232 12.127 ( -5.053 -15.431 -0.456) 16.243 12.447 ( -5.833 0.609 4.792) 7.574 12.918 ( -4.733 15.915 -1.587) 16.679 13.123 ( -5.781 15.265 1.505) 16.393 13.683 ( 3.647 -0.838 6.960) 7.902 13.850 ( -1.605 -14.639 3.997) 15.259 14.066 ( 8.557 -14.101 -17.972) 24.394 14.381 ( -1.330 -7.046 20.257) 21.489 14.705 ( 2.809 12.486 -23.978) 27.180 15.115 ( 3.539 9.471 -2.618) 10.444 15.378 ( -7.136 9.516 -14.030) 18.394 16.287 ( 3.412 -4.270 -37.302) 37.700 17.255 ( 5.524 -1.616 -20.875) 21.654 17.955 ( 5.313 -8.839 -26.573) 28.504 18.011 ( 2.839 5.080 -13.370) 14.581 18.386 ( 1.955 7.968 -3.825) 9.053 18.711 ( -9.772 5.164 -9.191) 14.375 19.347 ( -4.164 4.970 -21.627) 22.578 19.636 ( 0.910 5.255 -6.274) 8.234 19.805 ( -1.343 -0.248 -3.456) 3.716 20.289 ( -3.058 -3.887 3.529) 6.076 20.382 ( 1.451 0.766 -7.357) 7.538 20.767 ( 10.300 -4.087 0.865) 11.115 21.014 ( 10.074 1.683 -8.591) 13.346 25.319 ( 0.556 0.782 5.661) 5.742 25.460 ( 2.498 -0.160 6.644) 7.100 25.697 ( -1.687 2.379 5.354) 6.097 25.743 ( 1.135 -2.547 -1.171) 3.025 25.885 ( 3.610 0.138 -2.253) 4.257 25.934 ( 1.520 -1.304 -2.934) 3.553 26.012 ( 2.865 -0.008 -1.352) 3.168 26.074 ( -1.528 -2.369 -1.798) 3.344 26.286 ( 3.651 5.532 2.209) 6.987 26.468 ( 3.288 -0.196 1.485) 3.613 26.784 ( -0.619 -1.969 6.613) 6.927 26.870 ( -4.570 -5.574 8.676) 11.280 27.056 ( -0.500 1.683 0.601) 1.856 27.151 ( -3.215 3.489 5.901) 7.572 27.318 ( 2.956 1.718 4.314) 5.505 27.397 ( -3.352 -0.633 5.352) 6.347 27.498 ( -0.176 4.523 -2.706) 5.274 27.571 ( -1.434 1.869 4.657) 5.219 27.867 ( 3.504 -6.909 5.492) 9.496 27.930 ( -0.794 1.046 7.375) 7.491 28.061 ( -4.136 1.781 3.896) 5.954 28.233 ( 2.085 1.398 0.250) 2.523 28.435 ( -4.155 0.971 0.249) 4.274 28.557 ( -5.076 2.359 5.679) 7.973 28.734 ( -6.151 2.883 -3.038) 7.442 29.455 ( 3.749 -3.606 3.930) 6.520 29.716 ( 2.789 -8.708 8.206) 12.286 30.059 ( 7.659 -16.002 -2.016) 17.854 30.356 ( -2.966 1.255 17.247) 17.546 30.721 ( -3.801 8.944 -1.035) 9.773 31.412 ( 13.146 12.163 -10.514) 20.768 31.960 ( -13.883 -7.401 -12.558) 20.131 ======================= Grid point 118 (25/56) ======================= q-point: ( 0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 22.595 39.135 32.994) 55.953 3.188 ( 15.500 26.846 47.134) 56.415 5.469 ( 17.785 30.805 66.117) 75.078 5.955 ( -5.246 -9.086 5.464) 11.830 6.112 ( -4.523 -7.833 9.985) 13.472 6.466 ( -1.471 -2.549 27.877) 28.032 6.804 ( -1.010 -1.749 28.526) 28.597 7.209 ( -11.847 -20.519 -8.560) 25.192 7.401 ( 8.346 14.456 12.815) 21.044 7.700 ( 1.576 2.729 14.852) 15.183 7.812 ( -4.137 -7.166 -2.379) 8.610 8.166 ( -3.024 -5.237 -13.928) 15.184 8.325 ( 1.240 2.147 -4.002) 4.708 8.400 ( 0.979 1.696 -6.995) 7.264 8.990 ( -4.889 -8.468 19.695) 21.989 9.201 ( -7.337 -12.708 -1.538) 14.754 9.427 ( 0.759 1.314 28.162) 28.203 9.482 ( 3.594 6.225 32.743) 33.522 9.945 ( 0.165 0.285 -10.549) 10.554 10.200 ( -2.180 -3.776 8.352) 9.421 10.440 ( -7.639 -13.230 2.938) 15.557 10.682 ( -0.826 -1.431 19.941) 20.009 10.843 ( -7.546 -13.071 19.349) 24.540 11.174 ( -3.402 -5.893 -0.397) 6.817 11.358 ( 0.273 0.472 -10.019) 10.034 11.805 ( -4.146 -7.181 24.368) 25.740 11.933 ( -5.840 -10.115 10.820) 15.922 12.053 ( -8.674 -15.023 7.323) 18.830 12.450 ( -2.392 -4.142 -4.093) 6.296 12.752 ( 1.348 2.335 3.617) 4.511 12.908 ( -0.687 -1.190 -7.432) 7.558 13.032 ( -0.934 -1.618 4.754) 5.108 13.667 ( 10.582 18.328 -9.289) 23.112 13.878 ( 1.476 2.557 -17.900) 18.142 14.017 ( -11.977 -20.746 5.844) 24.657 14.378 ( -3.052 -5.287 11.233) 12.784 14.511 ( 4.584 7.940 -22.741) 24.520 15.263 ( -1.285 -2.226 -0.358) 2.595 15.668 ( -2.985 -5.169 -3.400) 6.869 16.348 ( 4.476 7.753 -13.322) 16.050 16.481 ( -1.032 -1.788 -3.912) 4.424 17.786 ( 2.517 4.360 -5.765) 7.653 18.110 ( 0.877 1.520 -20.523) 20.598 18.349 ( 8.837 15.306 -18.109) 25.304 18.834 ( -0.866 -1.499 -22.076) 22.144 19.228 ( 1.997 3.459 -18.248) 18.681 19.685 ( 2.868 4.967 -16.291) 17.271 19.853 ( 7.900 13.683 -13.976) 21.095 20.052 ( 4.380 7.587 -15.177) 17.524 20.293 ( 1.652 2.861 -2.264) 4.005 20.505 ( 8.761 15.174 -2.368) 17.680 20.752 ( -8.016 -13.885 4.794) 16.734 25.275 ( 1.415 2.450 5.957) 6.594 25.367 ( 1.509 2.613 5.538) 6.307 25.701 ( 1.585 2.745 4.023) 5.122 25.711 ( -0.006 -0.011 -0.575) 0.575 25.800 ( 1.173 2.031 -1.988) 3.074 25.858 ( 1.091 1.889 -0.384) 2.215 25.904 ( 2.135 3.698 0.045) 4.270 26.091 ( 0.618 1.071 -0.804) 1.475 26.168 ( 1.582 2.739 -3.328) 4.592 26.278 ( 3.733 6.466 -2.010) 7.732 26.897 ( -1.497 -2.593 4.612) 5.499 26.925 ( -1.155 -2.001 3.805) 4.451 27.123 ( -1.569 -2.718 9.798) 10.289 27.183 ( -0.788 -1.365 1.859) 2.437 27.338 ( -0.901 -1.560 6.101) 6.361 27.460 ( 1.726 2.990 1.597) 3.804 27.498 ( 1.487 2.576 6.836) 7.455 27.636 ( -1.100 -1.906 5.489) 5.913 27.709 ( -1.013 -1.755 12.339) 12.505 28.020 ( -0.872 -1.509 5.284) 5.564 28.114 ( 0.218 0.378 2.722) 2.756 28.173 ( 0.961 1.665 4.058) 4.490 28.660 ( -3.830 -6.634 -0.700) 7.692 28.702 ( -3.165 -5.482 -2.895) 6.961 28.996 ( -0.308 -0.534 2.475) 2.550 29.347 ( -2.395 -4.148 -1.910) 5.156 29.856 ( -4.846 -8.394 6.027) 11.414 29.868 ( -5.389 -9.334 -3.000) 11.188 30.473 ( -1.556 -2.694 17.772) 18.042 30.776 ( 8.306 14.386 -7.447) 18.204 30.856 ( 6.772 11.730 -0.669) 13.561 32.413 ( -7.149 -12.383 -11.358) 18.261 ======================= Grid point 119 (26/56) ======================= q-point: ( 0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( 13.073 37.433 34.364) 52.469 4.184 ( 36.568 33.715 27.457) 56.814 5.359 ( -32.950 -2.084 13.814) 35.789 5.917 ( -6.589 -14.396 10.241) 18.855 6.169 ( 5.136 -2.998 33.740) 34.260 6.504 ( -0.308 -0.175 21.960) 21.963 6.696 ( 10.779 -4.913 29.055) 31.377 6.953 ( 6.495 -8.356 13.673) 17.291 7.431 ( 3.765 -11.556 24.407) 27.265 7.655 ( -2.402 -10.726 -6.645) 12.844 7.793 ( -4.053 -1.008 1.491) 4.434 8.178 ( -3.435 20.415 1.492) 20.756 8.415 ( 6.234 0.719 -19.160) 20.161 8.569 ( 11.482 7.911 10.487) 17.447 8.917 ( -1.227 6.407 14.236) 15.659 9.065 ( 5.832 -8.277 -2.183) 10.358 9.393 ( -5.455 7.167 31.503) 32.765 9.660 ( 0.735 -1.016 28.342) 28.370 9.692 ( -10.016 -8.061 7.563) 14.916 10.075 ( -4.225 -2.568 5.017) 7.044 10.314 ( -13.673 0.933 10.326) 17.159 10.521 ( -7.768 0.934 13.198) 15.343 10.723 ( 1.322 -1.936 7.699) 8.048 10.978 ( -0.065 -19.165 1.158) 19.200 11.497 ( 7.640 1.285 -6.324) 10.000 11.544 ( -16.481 -6.436 12.447) 21.632 11.655 ( -2.991 -3.304 7.317) 8.567 11.834 ( 0.200 -15.827 21.318) 26.551 12.190 ( -18.058 -11.642 -5.281) 22.125 12.421 ( -6.789 -27.833 -8.635) 29.922 12.941 ( 11.936 -1.618 -0.140) 12.046 13.237 ( 3.113 12.621 0.087) 12.999 13.707 ( -6.252 -1.534 6.642) 9.250 13.810 ( 1.707 -5.359 -11.500) 12.801 13.974 ( -8.006 6.840 -2.226) 10.763 14.265 ( 5.886 -10.343 13.361) 17.892 14.790 ( 9.084 20.165 -27.688) 35.437 15.303 ( -6.665 12.747 -8.271) 16.593 15.591 ( -5.112 4.734 -9.675) 11.923 16.332 ( -6.168 14.267 -18.791) 24.387 16.877 ( 30.213 -6.133 -9.946) 32.394 17.751 ( -0.630 -12.780 -19.320) 23.173 17.907 ( -7.294 -15.000 -24.103) 29.311 18.602 ( 2.155 18.667 -13.112) 22.913 18.904 ( -1.089 7.741 -16.061) 17.863 19.290 ( 2.842 -1.779 -17.198) 17.521 19.851 ( -3.910 13.955 -3.089) 14.818 19.953 ( -5.645 14.254 -6.791) 16.768 20.256 ( 10.258 -2.540 -8.901) 13.817 20.382 ( -6.353 -2.507 3.553) 7.699 20.503 ( 9.140 -5.884 -0.539) 10.884 20.829 ( 10.902 5.210 -7.238) 14.085 25.332 ( 0.961 3.097 6.459) 7.227 25.416 ( 1.921 0.601 6.183) 6.503 25.698 ( 0.058 -1.368 -0.773) 1.573 25.757 ( -0.194 2.471 5.065) 5.639 25.836 ( 1.734 1.823 -3.930) 4.666 25.887 ( 1.947 -1.416 -2.829) 3.715 25.974 ( 1.999 1.531 0.065) 2.518 26.090 ( -1.372 -0.854 -2.065) 2.622 26.279 ( 4.294 7.179 2.388) 8.699 26.414 ( 4.180 3.809 0.087) 5.656 26.787 ( -4.382 -5.525 5.624) 9.019 26.836 ( -1.680 -8.319 6.911) 10.945 27.120 ( -1.430 4.290 3.241) 5.564 27.192 ( 1.999 0.851 4.025) 4.574 27.313 ( -0.562 1.102 5.701) 5.834 27.468 ( -4.168 0.379 3.028) 5.166 27.547 ( 0.609 3.883 3.409) 5.203 27.610 ( -0.535 2.119 3.184) 3.862 27.712 ( 3.755 -5.859 5.361) 8.784 27.982 ( -2.061 0.296 7.421) 7.708 28.109 ( -0.821 -0.903 6.286) 6.404 28.213 ( 1.984 2.656 -0.960) 3.451 28.546 ( -6.263 -0.638 -0.586) 6.322 28.617 ( 0.176 -0.615 2.241) 2.331 28.903 ( -8.992 0.901 1.669) 9.189 29.316 ( 4.698 -6.316 0.655) 7.899 29.642 ( -4.579 -6.685 5.687) 9.899 29.764 ( 3.826 -14.732 2.217) 15.381 30.408 ( -2.381 -1.328 17.766) 17.974 30.955 ( -4.802 17.173 -4.855) 18.481 31.224 ( 18.132 8.395 -8.271) 21.625 32.096 ( -11.847 -13.259 -12.010) 21.457 ======================= Grid point 120 (27/56) ======================= q-point: ( 0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.267 ( -13.874 24.031 27.124) 38.803 4.835 ( -6.814 11.802 20.057) 24.248 5.077 ( -4.923 8.527 26.764) 28.518 5.335 ( -5.454 9.446 19.187) 22.071 6.273 ( 14.773 -25.588 17.215) 34.196 6.342 ( 3.387 -5.866 22.178) 23.190 6.908 ( 4.091 -7.085 19.549) 21.192 7.188 ( 9.091 -15.746 11.933) 21.748 7.203 ( 5.928 -10.268 21.623) 24.661 7.581 ( 2.719 -4.709 -9.675) 11.099 7.758 ( -1.891 3.276 1.130) 3.948 8.275 ( -2.255 3.907 1.376) 4.716 8.498 ( 1.393 -2.412 -18.200) 18.412 8.880 ( -6.436 11.148 18.570) 22.595 9.006 ( -10.635 18.420 23.521) 31.711 9.031 ( 6.042 -10.465 1.386) 12.164 9.418 ( -2.040 3.533 4.142) 5.814 9.434 ( -0.307 0.532 30.607) 30.614 9.622 ( -4.071 7.051 34.378) 35.328 10.001 ( 3.362 -5.823 31.657) 32.363 10.083 ( -3.486 6.038 3.668) 7.878 10.504 ( -4.915 8.513 8.165) 12.778 10.785 ( -1.314 2.276 5.398) 6.004 10.895 ( 10.336 -17.902 -5.542) 21.401 11.184 ( -4.863 8.422 1.484) 9.838 11.616 ( 0.617 -1.069 19.203) 19.243 11.717 ( 4.642 -8.039 -1.431) 9.393 11.780 ( 3.975 -6.885 -5.314) 9.563 11.868 ( 5.761 -9.978 9.962) 15.231 12.154 ( 10.221 -17.703 -11.086) 23.254 13.099 ( 5.564 -9.637 0.550) 11.141 13.300 ( -1.284 2.224 -8.667) 9.040 13.656 ( -3.906 6.766 1.855) 8.030 13.816 ( -3.703 6.413 16.846) 18.402 13.865 ( 1.131 -1.958 -13.847) 14.030 14.267 ( 2.363 -4.092 11.569) 12.497 15.055 ( -10.421 18.050 -24.363) 32.062 15.346 ( -4.218 7.305 -12.798) 15.328 15.507 ( -2.764 4.787 -15.770) 16.710 16.370 ( -6.897 11.947 -21.763) 25.766 17.211 ( 2.487 -4.307 -18.833) 19.479 17.655 ( 13.153 -22.782 -9.743) 28.053 17.679 ( 7.901 -13.686 -30.143) 34.035 18.818 ( -9.717 16.830 -8.308) 21.135 18.842 ( -4.484 7.767 -13.580) 16.274 19.330 ( 2.691 -4.661 -16.478) 17.335 19.886 ( -7.362 12.752 -7.747) 16.638 19.933 ( -7.176 12.429 -6.605) 15.799 20.241 ( -1.121 1.942 10.536) 10.772 20.360 ( 2.801 -4.852 -4.434) 7.144 20.635 ( 4.373 -7.574 0.075) 8.746 20.963 ( 3.453 -5.981 -10.737) 12.766 25.360 ( -1.387 2.403 6.672) 7.226 25.439 ( 0.691 -1.197 6.630) 6.773 25.690 ( 1.187 -2.057 -1.529) 2.824 25.759 ( -1.856 3.215 4.199) 5.605 25.877 ( 0.589 -1.021 -3.676) 3.861 25.898 ( 1.103 -1.910 -3.201) 3.887 26.008 ( 0.274 -0.475 -0.071) 0.553 26.053 ( -0.124 0.215 -1.316) 1.339 26.397 ( -2.587 4.481 3.504) 6.249 26.471 ( -0.671 1.163 2.380) 2.733 26.699 ( 2.612 -4.524 4.998) 7.229 26.753 ( 3.196 -5.535 7.043) 9.511 27.129 ( -2.494 4.319 1.421) 5.186 27.221 ( -1.215 2.104 5.137) 5.683 27.366 ( -1.002 1.735 6.332) 6.642 27.374 ( -0.174 0.302 3.218) 3.237 27.598 ( -2.418 4.188 -3.803) 6.153 27.598 ( 0.439 -0.760 7.433) 7.485 27.714 ( 3.070 -5.317 0.443) 6.156 27.963 ( -1.034 1.791 8.939) 9.175 28.090 ( -0.274 0.474 6.374) 6.397 28.279 ( -1.284 2.223 -0.779) 2.683 28.450 ( -0.424 0.735 -1.069) 1.365 28.654 ( -3.152 5.459 8.782) 10.810 28.784 ( -1.681 2.911 -2.138) 3.984 29.336 ( 4.676 -8.098 0.389) 9.359 29.562 ( 2.871 -4.973 8.254) 10.055 29.715 ( 7.719 -13.370 2.845) 15.698 30.376 ( -0.356 0.616 17.148) 17.163 31.001 ( -9.079 15.725 -4.779) 18.776 31.566 ( 0.508 -0.879 -9.075) 9.132 31.788 ( 3.245 -5.621 -12.883) 14.426 ======================= Grid point 127 (28/56) ======================= q-point: ( 0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.522 ( 19.103 33.087 26.078) 46.258 4.998 ( 19.814 34.318 25.373) 47.054 5.237 ( -6.848 -11.862 13.263) 19.066 5.656 ( -3.937 -6.819 18.801) 20.383 5.907 ( -10.253 -17.758 30.446) 36.707 6.062 ( -13.203 -22.869 18.573) 32.284 6.856 ( 4.488 7.773 10.039) 13.466 6.881 ( -0.022 -0.039 20.019) 20.019 7.111 ( -7.961 -13.790 14.273) 21.384 7.639 ( 3.654 6.329 -4.988) 8.848 7.824 ( -0.233 -0.403 8.767) 8.779 8.149 ( -4.331 -7.502 -8.470) 12.115 8.504 ( 5.172 8.958 -15.560) 18.684 8.827 ( -7.311 -12.663 -10.603) 18.062 9.052 ( 5.598 9.697 28.395) 30.523 9.219 ( 16.499 28.578 22.193) 39.767 9.473 ( 0.771 1.336 16.797) 16.868 9.530 ( -0.033 -0.058 21.276) 21.276 9.787 ( 1.791 3.103 40.687) 40.845 10.104 ( 1.345 2.330 13.046) 13.321 10.171 ( -9.012 -15.610 27.507) 32.886 10.406 ( -7.469 -12.936 15.713) 21.680 10.603 ( -0.651 -1.127 -0.938) 1.604 10.857 ( 2.467 4.273 -6.852) 8.444 11.394 ( -1.011 -1.751 7.197) 7.476 11.528 ( -0.042 -0.072 3.382) 3.383 11.625 ( -2.724 -4.718 29.414) 29.914 11.648 ( 2.705 4.686 -13.516) 14.559 11.811 ( -12.864 -22.280 -5.403) 26.289 11.871 ( -9.000 -15.588 -7.943) 19.674 13.021 ( 5.321 9.217 -6.322) 12.379 13.261 ( -3.721 -6.445 -7.867) 10.829 13.654 ( -2.641 -4.575 -28.523) 29.008 13.835 ( -0.705 -1.221 26.699) 26.736 14.038 ( 3.211 5.561 12.253) 13.833 14.198 ( 0.317 0.549 -0.427) 0.765 15.246 ( 11.463 19.855 -28.279) 36.405 15.470 ( 0.878 1.520 -19.001) 19.082 15.570 ( -2.867 -4.966 -18.665) 19.526 16.626 ( 4.464 7.731 1.240) 9.013 17.002 ( 10.297 17.835 -17.016) 26.715 17.419 ( -8.525 -14.765 -21.213) 27.215 17.518 ( -10.654 -18.454 -26.062) 33.664 18.930 ( 6.499 11.257 -13.849) 18.993 19.019 ( 1.459 2.528 -17.527) 17.769 19.234 ( -2.232 -3.865 -12.618) 13.384 20.101 ( 1.157 2.004 -8.117) 8.440 20.143 ( 1.831 3.172 6.131) 7.141 20.203 ( -0.562 -0.973 -2.769) 2.988 20.346 ( 3.167 5.486 3.908) 7.443 20.483 ( 0.746 1.293 -2.049) 2.535 20.864 ( -0.826 -1.430 -11.890) 12.004 25.393 ( 1.211 2.098 6.977) 7.386 25.423 ( -0.010 -0.017 6.456) 6.456 25.666 ( -0.622 -1.078 -1.809) 2.195 25.816 ( 1.103 1.911 5.102) 5.559 25.856 ( -0.238 -0.413 -4.353) 4.379 25.862 ( 0.132 0.228 -3.481) 3.491 26.006 ( 0.860 1.490 0.121) 1.724 26.055 ( -1.203 -2.083 -1.162) 2.671 26.448 ( 4.653 8.059 4.346) 10.270 26.506 ( 2.581 4.470 1.905) 5.501 26.657 ( -3.767 -6.524 4.438) 8.744 26.659 ( -4.117 -7.130 6.026) 10.203 27.204 ( 0.807 1.397 2.657) 3.109 27.216 ( 1.196 2.071 3.267) 4.049 27.355 ( 1.760 3.049 4.762) 5.922 27.448 ( -1.108 -1.920 3.417) 4.073 27.526 ( -2.345 -4.062 9.366) 10.475 27.661 ( 0.913 1.582 -2.407) 3.021 27.670 ( 0.599 1.037 -1.482) 1.905 27.988 ( 0.158 0.273 9.303) 9.308 28.089 ( -0.369 -0.639 7.131) 7.169 28.304 ( 3.267 5.658 -1.049) 6.617 28.463 ( -3.350 -5.802 -0.396) 6.711 28.707 ( 4.088 7.080 5.939) 10.105 28.870 ( -2.685 -4.650 4.608) 7.075 29.185 ( -2.464 -4.269 -10.121) 11.258 29.526 ( -1.958 -3.391 7.325) 8.306 29.558 ( -2.579 -4.466 11.747) 12.829 30.383 ( -0.412 -0.713 16.847) 16.867 31.329 ( 5.408 9.367 -6.360) 12.547 31.357 ( 6.750 11.692 -9.757) 16.657 31.769 ( -9.681 -16.768 -11.951) 22.753 ======================= Grid point 131 (29/56) ======================= q-point: (-0.14 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -12.661 21.929 45.516) 52.085 3.448 ( -20.193 34.975 41.178) 57.677 5.533 ( -18.506 32.053 60.586) 70.997 5.928 ( 10.373 -17.966 4.295) 21.186 6.022 ( 3.746 -6.489 14.476) 16.300 6.562 ( 7.117 -12.328 12.805) 19.147 6.781 ( -1.711 2.964 24.695) 24.931 7.186 ( -7.182 12.439 10.751) 17.941 7.304 ( 8.530 -14.775 9.569) 19.561 7.641 ( -1.884 3.262 14.479) 14.961 7.904 ( -2.867 4.966 -7.251) 9.244 8.146 ( -0.795 1.377 -2.264) 2.767 8.395 ( -1.919 3.324 5.623) 6.808 8.875 ( 0.543 -0.940 5.311) 5.420 8.887 ( 6.169 -10.686 1.783) 12.467 9.112 ( 1.332 -2.307 -2.134) 3.413 9.280 ( 1.602 -2.774 9.157) 9.701 9.585 ( -1.557 2.696 22.351) 22.567 10.012 ( -0.632 1.095 15.330) 15.382 10.134 ( -1.872 3.242 19.393) 19.751 10.496 ( 7.294 -12.634 6.964) 16.165 10.539 ( 4.740 -8.210 1.828) 9.655 11.024 ( 7.525 -13.034 3.347) 15.418 11.249 ( 0.924 -1.600 9.606) 9.782 11.442 ( 3.510 -6.080 -4.168) 8.165 11.582 ( 1.971 -3.415 3.390) 5.200 12.010 ( 8.882 -15.385 9.249) 20.028 12.149 ( 6.233 -10.796 30.353) 32.813 12.426 ( 4.582 -7.937 -2.711) 9.557 12.567 ( -0.438 0.758 -6.122) 6.184 12.842 ( -0.084 0.146 -0.303) 0.347 12.961 ( 1.494 -2.588 4.871) 5.714 13.704 ( -11.490 19.902 -8.060) 24.353 13.917 ( 12.455 -21.572 6.068) 25.638 14.131 ( -7.497 12.985 -17.674) 23.177 14.304 ( 0.760 -1.317 -5.871) 6.064 14.770 ( -6.139 10.633 -9.761) 15.685 14.936 ( 8.120 -14.065 1.753) 16.335 15.441 ( 9.036 -15.650 -4.591) 18.645 16.555 ( -2.093 3.626 -20.360) 20.786 16.826 ( -4.271 7.397 4.425) 9.619 17.381 ( -2.984 5.169 -7.550) 9.624 18.208 ( -8.624 14.937 -14.142) 22.304 18.227 ( -1.487 2.576 -22.598) 22.793 18.903 ( 5.477 -9.487 -19.340) 22.227 19.152 ( 1.536 -2.661 -18.900) 19.148 19.632 ( -1.785 3.092 -18.767) 19.104 19.780 ( -7.147 12.379 -12.525) 19.005 20.100 ( -4.721 8.178 -18.217) 20.519 20.345 ( -2.615 4.529 0.914) 5.309 20.575 ( -12.163 21.067 -3.245) 24.542 20.810 ( 5.341 -9.251 3.899) 11.371 25.304 ( -1.332 2.307 4.411) 5.153 25.343 ( -1.935 3.352 5.641) 6.841 25.679 ( -0.088 0.152 6.027) 6.029 25.773 ( -1.251 2.166 -1.768) 3.063 25.773 ( -2.209 3.825 -1.272) 4.597 25.843 ( -2.426 4.202 3.499) 5.983 25.980 ( -3.188 5.522 -2.465) 6.836 26.080 ( 0.173 -0.300 -0.246) 0.425 26.146 ( -0.505 0.875 -5.418) 5.511 26.297 ( -4.517 7.824 -2.038) 9.262 26.873 ( 1.407 -2.438 4.628) 5.417 27.000 ( -1.718 2.976 2.875) 4.480 27.145 ( 3.809 -6.597 4.386) 8.791 27.214 ( 2.141 -3.708 13.708) 14.361 27.259 ( 0.460 -0.796 0.625) 1.112 27.348 ( 0.840 -1.454 1.793) 2.457 27.503 ( -0.929 1.610 10.077) 10.247 27.517 ( 1.762 -3.052 8.069) 8.805 27.934 ( -3.094 5.359 8.809) 10.765 27.953 ( 2.468 -4.275 2.622) 5.589 28.104 ( 1.324 -2.293 1.434) 3.011 28.150 ( -1.134 1.964 6.787) 7.156 28.646 ( 6.522 -11.297 -3.934) 13.625 28.677 ( 3.581 -6.203 -0.418) 7.175 28.821 ( 4.248 -7.358 -0.886) 8.542 29.449 ( -0.882 1.527 -1.265) 2.170 29.912 ( 0.401 -0.695 5.715) 5.771 30.185 ( 0.603 -1.045 3.306) 3.519 30.513 ( 2.290 -3.966 16.808) 17.421 30.663 ( -4.382 7.589 -3.375) 9.391 30.720 ( -7.286 12.620 -7.492) 16.385 32.386 ( 7.754 -13.430 -11.391) 19.241 ======================= Grid point 139 (30/56) ======================= q-point: (-0.29 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( -25.453 26.220 32.147) 48.670 4.265 ( -27.816 31.412 32.835) 53.278 5.242 ( 33.739 -8.424 11.499) 36.627 5.703 ( 3.588 -23.358 9.531) 25.482 6.241 ( 2.953 -9.602 18.923) 21.424 6.500 ( -12.430 -5.995 25.088) 28.633 6.683 ( -4.799 5.734 34.626) 35.424 7.067 ( 1.501 -12.404 28.358) 30.989 7.345 ( -8.287 6.072 14.013) 17.375 7.982 ( -3.914 8.033 -8.517) 12.345 8.073 ( -2.874 20.270 3.298) 20.736 8.153 ( -1.181 8.016 -0.565) 8.122 8.343 ( 4.106 -8.742 1.405) 9.760 8.740 ( 6.736 16.521 1.569) 17.911 8.936 ( -4.256 3.890 6.732) 8.864 9.134 ( -6.846 4.245 8.564) 11.757 9.269 ( -4.431 -5.542 8.534) 11.098 9.675 ( -1.895 3.880 22.632) 23.040 9.862 ( 19.077 -1.385 21.396) 28.700 10.157 ( 3.854 -3.842 26.902) 27.447 10.258 ( 10.449 -4.469 16.427) 19.975 10.451 ( -3.515 -6.202 5.254) 8.856 10.584 ( 15.824 -9.247 4.323) 18.831 11.173 ( 6.860 -5.521 0.493) 8.820 11.326 ( 0.547 -9.813 -12.849) 16.176 11.488 ( -5.527 -3.507 -8.554) 10.771 11.716 ( 11.160 -10.484 3.182) 15.639 11.996 ( -9.121 -25.522 8.506) 28.407 12.127 ( 9.167 -7.016 18.712) 21.986 12.469 ( 10.924 -4.123 -2.549) 11.951 12.815 ( 4.244 0.734 7.487) 8.637 12.993 ( -0.060 3.669 3.275) 4.919 13.553 ( -5.509 -15.578 15.470) 22.635 13.983 ( -0.833 4.019 -6.636) 7.803 14.281 ( -2.659 2.832 -4.008) 5.582 14.457 ( -3.854 14.446 -14.279) 20.675 14.728 ( 9.633 8.429 -11.873) 17.458 15.024 ( -9.096 -3.098 -14.703) 17.564 15.225 ( 2.911 -0.725 -9.384) 9.852 16.524 ( 10.498 18.332 -27.947) 35.033 17.150 ( -18.931 -3.513 -5.983) 20.163 17.550 ( -12.921 -4.030 -8.471) 15.967 18.108 ( 7.112 -5.609 -30.981) 32.278 18.444 ( -2.133 8.164 -18.861) 20.662 18.685 ( 6.093 -5.388 -8.059) 11.450 19.122 ( -4.791 -12.714 -15.774) 20.819 19.704 ( 1.464 8.094 -8.742) 12.003 19.911 ( 3.345 7.168 0.485) 7.925 20.249 ( -5.094 1.192 -9.288) 10.660 20.474 ( 4.086 6.386 -2.234) 7.904 20.745 ( -9.342 3.182 -1.613) 10.000 20.960 ( -7.824 11.526 -5.085) 14.830 25.340 ( 0.743 3.576 4.628) 5.896 25.429 ( -3.973 1.296 5.803) 7.151 25.659 ( 0.580 -3.002 5.778) 6.537 25.804 ( 1.042 4.165 -1.540) 4.561 25.864 ( -3.702 2.571 -1.350) 4.705 25.954 ( -1.864 4.374 0.457) 4.777 26.045 ( 1.517 4.005 -1.510) 4.541 26.112 ( -1.435 1.464 -1.019) 2.289 26.182 ( -4.288 1.281 -1.545) 4.734 26.459 ( -4.359 5.822 0.706) 7.307 26.787 ( 2.750 -5.530 6.859) 9.230 26.964 ( 6.467 -6.997 6.830) 11.723 27.053 ( -0.679 1.794 2.468) 3.126 27.112 ( 2.340 -3.264 6.713) 7.823 27.293 ( -1.954 2.264 4.053) 5.037 27.364 ( -2.784 -1.347 0.970) 3.242 27.462 ( 1.724 -0.838 3.094) 3.639 27.539 ( -1.198 -0.284 7.247) 7.351 27.874 ( 0.476 -4.342 3.618) 5.672 27.988 ( 1.567 -0.532 5.786) 6.018 28.061 ( 1.857 2.497 3.670) 4.811 28.207 ( -2.923 1.687 6.139) 7.006 28.435 ( 4.685 -5.389 -3.742) 8.062 28.543 ( 3.749 -6.293 3.964) 8.329 28.660 ( 1.944 -9.728 -3.580) 10.546 29.503 ( -1.088 3.929 0.046) 4.077 29.901 ( 4.764 6.785 9.560) 12.654 30.178 ( -3.162 -3.122 7.951) 9.109 30.382 ( 5.255 -4.391 17.340) 18.643 30.740 ( 5.435 12.868 -7.753) 15.976 31.107 ( -20.040 3.920 -10.733) 23.069 32.064 ( 10.681 -13.796 -12.378) 21.392 ======================= Grid point 145 (31/56) ======================= q-point: (-0.43 0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.910 ( 7.019 12.158 24.457) 28.200 4.596 ( 0.723 1.252 17.301) 17.361 5.155 ( 7.095 12.290 31.124) 34.206 5.176 ( -0.390 -0.675 16.346) 16.364 6.207 ( -15.005 -25.989 16.766) 34.375 6.290 ( -5.002 -8.664 20.776) 23.059 6.919 ( -4.148 -7.185 31.803) 32.867 7.084 ( -10.279 -17.803 13.332) 24.502 7.512 ( 5.796 10.039 10.896) 15.909 8.028 ( -0.996 -1.724 -6.691) 6.981 8.112 ( 2.676 4.635 -3.165) 6.218 8.151 ( 9.093 15.749 1.324) 18.233 8.484 ( 6.525 11.302 -7.580) 15.092 8.697 ( 6.490 11.242 6.477) 14.507 9.171 ( 5.835 10.107 23.450) 26.194 9.242 ( -3.100 -5.369 13.000) 14.402 9.391 ( -0.377 -0.654 31.100) 31.110 9.504 ( 6.446 11.164 1.965) 13.040 9.753 ( 3.606 6.245 16.717) 18.206 9.865 ( -1.009 -1.747 34.393) 34.452 10.061 ( -2.797 -4.844 29.825) 30.345 10.425 ( -4.828 -8.362 7.059) 11.961 10.560 ( -0.365 -0.632 2.559) 2.661 11.050 ( 3.975 6.885 -4.618) 9.194 11.211 ( -5.871 -10.169 -18.757) 22.129 11.440 ( -4.945 -8.564 -6.840) 12.024 11.706 ( -4.790 -8.296 -10.007) 13.853 11.949 ( 1.341 2.323 26.076) 26.213 12.057 ( -12.412 -21.498 4.589) 25.244 12.169 ( 2.365 4.096 4.961) 6.854 12.806 ( -3.357 -5.814 9.099) 11.308 12.996 ( 5.420 9.387 1.167) 10.902 13.603 ( -13.472 -23.335 14.149) 30.434 13.946 ( 7.846 13.589 -2.759) 15.932 14.416 ( 6.497 11.253 -11.299) 17.219 14.476 ( 1.891 3.276 4.285) 5.715 14.688 ( 2.229 3.862 -25.316) 25.706 15.161 ( -5.037 -8.725 -22.249) 24.423 15.173 ( 2.662 4.610 -8.211) 9.786 16.538 ( 11.212 19.419 -30.006) 37.459 17.334 ( 2.151 3.726 -24.808) 25.178 17.655 ( -11.836 -20.501 -0.282) 23.674 17.992 ( -6.354 -11.006 -26.152) 29.076 18.506 ( -0.737 -1.277 -11.121) 11.218 18.586 ( 3.885 6.729 -15.259) 17.124 19.093 ( -7.343 -12.718 -14.595) 20.705 19.752 ( 5.003 8.666 -10.153) 14.255 19.876 ( 3.486 6.037 11.841) 13.740 20.306 ( -4.070 -7.050 -7.538) 11.095 20.436 ( 8.129 14.079 -3.191) 16.568 20.933 ( 2.170 3.759 -0.160) 4.344 21.076 ( -1.351 -2.340 -8.716) 9.125 25.352 ( 1.791 3.102 4.823) 6.008 25.486 ( -0.130 -0.225 6.167) 6.172 25.623 ( -2.195 -3.802 4.645) 6.391 25.819 ( 2.484 4.302 -0.666) 5.012 25.944 ( -0.101 -0.176 -3.484) 3.490 25.955 ( 1.480 2.563 0.990) 3.121 26.080 ( 1.580 2.737 -2.156) 3.826 26.102 ( 1.901 3.293 -2.793) 4.718 26.276 ( -1.020 -1.766 2.482) 3.212 26.529 ( 1.606 2.782 3.458) 4.720 26.741 ( -3.499 -6.061 8.539) 11.041 26.820 ( -0.336 -0.582 5.415) 5.457 27.067 ( 0.466 0.807 1.949) 2.161 27.075 ( -0.970 -1.679 4.139) 4.571 27.352 ( 0.072 0.126 5.270) 5.272 27.362 ( 0.248 0.429 5.342) 5.365 27.450 ( -1.257 -2.178 -4.315) 4.994 27.541 ( -0.075 -0.131 5.780) 5.782 27.855 ( -1.493 -2.586 6.338) 7.007 27.944 ( -2.946 -5.103 1.307) 6.035 28.060 ( 4.416 7.648 6.495) 10.963 28.255 ( 0.762 1.320 -1.042) 1.846 28.391 ( -0.730 -1.264 6.068) 6.241 28.438 ( -2.336 -4.046 4.351) 6.384 28.587 ( -4.198 -7.271 -5.430) 9.998 29.540 ( 1.732 3.000 -0.643) 3.523 29.889 ( 5.096 8.826 11.253) 15.182 30.225 ( -0.509 -0.882 9.934) 9.986 30.273 ( -2.480 -4.295 17.278) 17.976 30.756 ( 7.033 12.181 -8.920) 16.656 31.396 ( -4.483 -7.764 -12.289) 15.211 31.810 ( -2.433 -4.215 -12.272) 13.202 ======================= Grid point 147 (32/56) ======================= q-point: (-0.29 0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( -20.790 36.009 21.582) 46.846 4.714 ( 1.995 -3.455 18.653) 19.075 5.152 ( 7.271 -12.594 11.215) 18.365 5.348 ( -8.805 15.250 28.196) 33.243 5.889 ( 8.107 -14.041 13.795) 21.288 6.081 ( 14.990 -25.964 32.117) 43.935 6.836 ( -1.507 2.611 19.846) 20.074 6.868 ( 2.841 -4.921 27.200) 27.787 7.614 ( -5.143 8.908 8.978) 13.653 7.978 ( 1.368 -2.370 -14.277) 14.537 8.224 ( -4.056 7.025 -6.575) 10.442 8.286 ( -2.875 4.980 0.606) 5.782 8.630 ( -9.572 16.580 -2.101) 19.260 8.922 ( 2.358 -4.085 -7.654) 8.991 9.112 ( -0.124 0.215 16.840) 16.842 9.285 ( -8.503 14.727 31.348) 35.663 9.397 ( -12.012 20.806 14.362) 27.990 9.627 ( 5.153 -8.926 32.391) 33.991 9.816 ( -2.810 4.868 21.365) 22.092 9.967 ( 11.081 -19.193 29.088) 36.568 10.057 ( 6.879 -11.915 23.093) 26.881 10.368 ( 1.515 -2.624 20.417) 20.640 10.374 ( 3.840 -6.651 10.201) 12.769 11.083 ( 2.989 -5.176 -16.430) 17.484 11.123 ( 0.827 -1.432 -13.912) 14.010 11.334 ( 10.443 -18.087 -16.814) 26.813 11.485 ( 6.275 -10.868 -4.783) 13.430 11.805 ( -13.158 22.790 0.665) 26.324 12.042 ( 0.955 -1.654 35.340) 35.392 12.360 ( 5.893 -10.208 -6.103) 13.273 12.884 ( 3.286 -5.692 20.153) 21.198 12.998 ( -2.609 4.519 0.717) 5.267 13.188 ( 6.510 -11.276 6.320) 14.473 14.220 ( -6.310 10.930 -13.381) 18.394 14.339 ( -3.427 5.935 1.740) 7.071 14.559 ( 4.366 -7.563 -6.356) 10.801 14.823 ( -0.268 0.464 -23.472) 23.478 15.045 ( -4.189 7.256 -23.572) 25.017 15.212 ( 1.617 -2.801 -18.785) 19.061 17.021 ( -12.505 21.659 -31.863) 40.507 17.129 ( -3.985 6.901 9.707) 12.559 17.511 ( 0.908 -1.573 -14.803) 14.914 17.732 ( 14.766 -25.575 -27.449) 40.318 18.589 ( -2.633 4.560 -19.909) 20.594 18.609 ( 0.395 -0.684 -15.057) 15.078 18.921 ( 4.075 -7.058 -12.523) 14.941 19.873 ( -5.051 8.748 1.288) 10.183 20.001 ( -0.296 0.512 7.916) 7.938 20.155 ( 3.983 -6.898 -7.545) 10.971 20.763 ( -6.316 10.940 -7.871) 14.884 20.824 ( -4.677 8.102 -2.861) 9.783 21.046 ( 2.491 -4.315 -5.241) 7.231 25.430 ( -2.028 3.513 4.465) 6.033 25.445 ( -0.763 1.321 5.634) 5.837 25.573 ( 2.616 -4.531 4.171) 6.691 25.889 ( -1.472 2.550 -1.631) 3.366 25.916 ( -1.261 2.184 -1.329) 2.851 25.994 ( -0.095 0.164 1.054) 1.070 26.130 ( -0.824 1.428 -2.320) 2.846 26.144 ( -0.823 1.425 -3.791) 4.133 26.236 ( -2.348 4.067 3.472) 5.840 26.575 ( -2.465 4.269 5.061) 7.065 26.644 ( 3.339 -5.783 7.518) 10.056 26.814 ( 3.336 -5.778 4.177) 7.872 27.069 ( 0.007 -0.012 2.490) 2.490 27.071 ( 0.509 -0.881 3.828) 3.961 27.347 ( -1.328 2.300 5.578) 6.178 27.369 ( -0.485 0.839 3.108) 3.255 27.430 ( 0.987 -1.710 -2.232) 2.980 27.549 ( -0.423 0.734 8.470) 8.512 27.815 ( 0.203 -0.352 2.336) 2.371 27.885 ( 2.929 -5.073 2.116) 6.229 28.176 ( -2.291 3.968 5.719) 7.328 28.257 ( -2.218 3.842 6.450) 7.829 28.383 ( -0.077 0.134 -3.341) 3.345 28.403 ( 3.844 -6.658 8.540) 11.491 28.476 ( 3.619 -6.268 -6.723) 9.878 29.574 ( -1.266 2.192 -4.368) 5.049 30.049 ( -3.165 5.481 13.350) 14.774 30.114 ( 0.093 -0.161 15.468) 15.469 30.241 ( 4.422 -7.659 17.747) 19.829 31.028 ( -5.102 8.836 -12.976) 16.507 31.182 ( -2.573 4.456 -12.515) 13.531 31.774 ( 6.418 -11.116 -11.831) 17.457 ======================= Grid point 165 (33/56) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.587 ( -0.000 -0.000 59.570) 59.570 3.587 ( 0.000 0.000 59.570) 59.570 6.141 ( 0.000 -0.000 45.993) 45.993 6.235 ( 0.000 0.000 -11.920) 11.920 6.235 ( 0.000 0.000 -11.920) 11.920 6.890 ( -0.000 0.000 46.437) 46.437 6.905 ( 0.000 -0.000 -4.490) 4.490 6.905 ( 0.000 0.000 -4.490) 4.490 7.149 ( -0.000 0.000 -14.886) 14.886 7.741 ( -0.000 0.000 -30.905) 30.905 7.741 ( 0.000 0.000 -30.905) 30.905 8.386 ( -0.000 0.000 24.088) 24.088 8.525 ( 0.000 0.000 -5.319) 5.319 8.876 ( 0.000 0.000 31.194) 31.194 8.876 ( 0.000 -0.000 31.194) 31.194 9.893 ( 0.000 0.000 13.922) 13.922 9.893 ( 0.000 -0.000 13.922) 13.922 10.047 ( 0.000 0.000 34.899) 34.899 10.423 ( 0.000 0.000 -8.713) 8.713 10.890 ( 0.000 0.000 22.378) 22.378 10.890 ( 0.000 0.000 22.378) 22.378 11.046 ( -0.000 0.000 20.500) 20.500 11.104 ( -0.000 0.000 16.338) 16.338 11.104 ( 0.000 0.000 16.338) 16.338 11.724 ( 0.000 0.000 -42.524) 42.524 11.986 ( -0.000 0.000 5.660) 5.660 11.986 ( 0.000 -0.000 5.660) 5.660 12.501 ( 0.000 0.000 -9.978) 9.978 12.501 ( 0.000 0.000 -10.004) 10.004 12.501 ( 0.000 -0.000 -9.982) 9.982 13.111 ( -0.000 0.000 6.125) 6.125 13.111 ( 0.000 0.000 6.125) 6.125 13.278 ( -0.000 0.000 35.641) 35.641 13.697 ( 0.000 0.000 -12.423) 12.423 13.697 ( 0.000 0.000 -12.423) 12.423 14.058 ( -0.000 0.000 -6.978) 6.978 14.521 ( 0.000 -0.000 -1.847) 1.847 15.730 ( 0.000 0.000 -27.013) 27.013 16.634 ( 0.000 0.000 9.059) 9.059 16.634 ( 0.000 -0.000 9.059) 9.059 16.672 ( -0.000 0.000 15.182) 15.182 17.247 ( 0.000 -0.000 -2.015) 2.015 17.247 ( 0.000 0.000 -2.015) 2.015 17.655 ( 0.000 -0.000 8.973) 8.973 18.743 ( 0.000 0.000 -25.140) 25.140 18.743 ( 0.000 -0.000 -25.140) 25.140 18.995 ( -0.000 0.000 -36.647) 36.647 19.113 ( -0.000 0.000 -17.846) 17.846 19.215 ( 0.000 -0.000 -28.173) 28.173 19.215 ( 0.000 0.000 -28.173) 28.173 20.675 ( -0.000 0.000 11.954) 11.954 21.138 ( -0.000 0.000 -0.142) 0.142 25.348 ( 0.000 0.000 5.658) 5.658 25.348 ( 0.000 0.000 5.658) 5.658 25.626 ( -0.000 0.000 -2.874) 2.874 25.626 ( 0.000 0.000 -2.874) 2.874 25.753 ( 0.000 0.000 3.246) 3.246 25.851 ( -0.000 0.000 4.121) 4.121 25.851 ( 0.000 0.000 4.121) 4.121 25.982 ( -0.000 0.000 -5.432) 5.432 26.068 ( -0.000 0.000 -2.265) 2.265 26.068 ( 0.000 0.000 -2.265) 2.265 26.999 ( 0.000 -0.000 4.440) 4.440 26.999 ( 0.000 0.000 4.440) 4.440 27.215 ( 0.000 0.000 -2.021) 2.021 27.215 ( 0.000 0.000 -2.021) 2.021 27.587 ( 0.000 0.000 7.280) 7.280 27.587 ( 0.000 -0.000 7.280) 7.280 27.765 ( -0.000 0.000 19.771) 19.771 27.835 ( 0.000 0.000 0.313) 0.313 27.835 ( 0.000 -0.000 0.313) 0.313 28.192 ( -0.000 0.000 5.259) 5.259 28.246 ( 0.000 0.000 13.135) 13.135 28.246 ( 0.000 0.000 13.135) 13.135 28.760 ( 0.000 -0.000 -5.980) 5.980 28.937 ( 0.000 0.000 -3.307) 3.307 28.937 ( 0.000 -0.000 -3.307) 3.307 29.190 ( -0.000 0.000 -18.326) 18.326 30.127 ( 0.000 0.000 3.214) 3.214 30.127 ( 0.000 0.000 3.214) 3.214 30.344 ( 0.000 0.000 -2.059) 2.059 30.344 ( 0.000 -0.000 -2.059) 2.059 31.129 ( -0.000 0.000 25.855) 25.855 32.455 ( -0.000 0.000 -16.423) 16.423 ======================= Grid point 166 (34/56) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( 3.849 6.826 55.619) 56.169 3.862 ( 16.714 7.196 52.093) 55.180 6.037 ( -10.199 -6.157 -5.208) 13.002 6.254 ( -6.974 7.219 -7.818) 12.723 6.286 ( 11.317 -5.269 20.183) 23.731 6.752 ( -8.989 5.393 5.780) 11.970 7.007 ( 6.617 11.027 13.358) 18.542 7.161 ( 11.599 0.141 1.625) 11.713 7.268 ( 15.320 5.042 3.147) 16.432 7.677 ( 5.487 -1.037 -16.424) 17.347 7.889 ( 9.395 -1.176 -11.457) 14.863 8.346 ( -8.321 -6.730 20.527) 23.149 8.479 ( -0.095 -1.450 11.954) 12.042 8.743 ( -3.037 -10.133 29.122) 30.984 9.000 ( 3.018 12.951 5.217) 14.285 9.600 ( -21.463 -9.121 11.069) 25.815 9.844 ( -12.712 4.936 12.328) 18.383 10.050 ( -2.462 -6.108 23.308) 24.221 10.185 ( -5.434 -18.595 -0.239) 19.374 10.598 ( -8.859 1.901 27.723) 29.166 10.802 ( 0.676 -7.530 26.400) 27.461 11.056 ( -8.337 9.445 9.823) 15.975 11.220 ( 3.287 -4.132 16.692) 17.508 11.337 ( 2.481 -1.505 7.683) 8.212 11.546 ( -9.387 2.655 -2.536) 10.079 11.929 ( -6.831 -1.956 0.742) 7.144 12.147 ( 13.485 2.081 -12.369) 18.417 12.253 ( -10.486 -3.618 -10.621) 15.357 12.410 ( 6.365 -9.757 -6.068) 13.135 12.756 ( -4.556 -3.470 -0.816) 5.784 12.936 ( -8.047 11.338 5.772) 15.054 13.167 ( 5.054 -3.652 7.077) 9.432 13.309 ( 0.812 3.562 15.664) 16.085 13.591 ( 5.854 -9.770 -15.818) 19.491 13.935 ( -0.982 18.960 -8.246) 20.698 14.273 ( 17.052 -0.996 -7.610) 18.700 14.398 ( -6.541 -4.408 -0.888) 7.937 15.553 ( -18.038 -6.337 -19.275) 27.149 15.963 ( -36.929 6.616 11.854) 39.345 16.197 ( -14.802 -37.861 15.128) 43.375 16.799 ( 16.392 -10.910 4.231) 20.140 17.323 ( -7.398 29.690 -6.883) 31.363 17.671 ( 2.120 -3.741 -18.719) 19.206 17.795 ( 14.960 5.703 -8.795) 18.267 18.548 ( -7.939 -10.688 -18.817) 23.051 18.838 ( 3.711 -7.025 -26.403) 27.572 19.011 ( 11.934 19.039 -19.753) 29.918 19.148 ( 15.626 8.947 -17.281) 24.957 19.484 ( 14.249 14.247 -23.040) 30.608 19.820 ( 29.313 9.955 -17.913) 35.767 20.596 ( -5.322 -2.596 11.087) 12.570 21.025 ( -8.390 -5.618 -0.046) 10.097 25.363 ( 1.718 0.228 5.919) 6.167 25.406 ( 2.900 3.206 5.197) 6.760 25.649 ( 2.130 0.384 -2.967) 3.673 25.665 ( 2.920 1.104 -2.989) 4.322 25.800 ( 2.011 1.854 3.334) 4.313 25.865 ( 1.657 0.190 3.535) 3.908 25.875 ( 2.705 0.354 2.482) 3.688 26.014 ( 2.019 2.627 -3.628) 4.914 26.071 ( 0.774 -0.311 -2.111) 2.270 26.129 ( 4.968 3.198 -2.429) 6.388 26.991 ( -0.890 0.010 4.497) 4.584 27.016 ( 1.683 -0.088 4.036) 4.374 27.198 ( -1.614 -0.325 -1.975) 2.571 27.230 ( 1.293 0.403 -1.722) 2.191 27.504 ( -4.382 -2.560 6.203) 8.015 27.603 ( -3.583 0.703 9.681) 10.346 27.677 ( -2.754 -4.892 7.463) 9.339 27.765 ( -4.016 2.326 8.924) 10.059 27.934 ( 5.317 -1.179 3.014) 6.225 28.155 ( -3.189 -1.113 7.265) 8.012 28.225 ( -0.650 -1.692 10.652) 10.805 28.279 ( 1.052 2.458 9.455) 9.826 28.711 ( -3.613 -2.133 -3.999) 5.796 28.742 ( -11.415 -7.011 -7.787) 15.495 28.936 ( -3.466 3.508 -3.213) 5.886 29.262 ( 4.599 -0.013 -11.446) 12.335 30.033 ( -3.530 -3.918 5.502) 7.621 30.162 ( 4.646 -7.072 4.461) 9.565 30.397 ( 2.372 5.663 -3.838) 7.240 30.485 ( 8.282 8.756 -4.019) 12.705 31.083 ( -3.735 -1.899 24.485) 24.841 32.342 ( -8.999 -4.635 -15.513) 18.523 ======================= Grid point 167 (35/56) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( 13.085 18.402 44.499) 49.900 4.363 ( 27.249 11.404 36.449) 46.916 5.680 ( -21.196 -7.646 4.355) 22.950 5.989 ( -15.634 -2.695 -17.481) 23.607 6.538 ( 11.159 0.434 3.613) 11.737 6.811 ( 6.876 9.014 17.487) 20.840 7.205 ( 3.967 1.747 -3.429) 5.527 7.389 ( 9.787 8.686 11.362) 17.330 7.577 ( 5.113 -1.034 -2.488) 5.780 7.763 ( -3.594 -7.999 -1.051) 8.832 8.001 ( 7.543 -3.592 13.166) 15.593 8.247 ( 7.244 2.079 31.551) 32.438 8.522 ( 7.864 -0.327 28.625) 29.688 8.679 ( 10.789 -6.707 9.034) 15.588 9.005 ( -15.576 -1.630 0.781) 15.681 9.216 ( -5.533 7.888 -0.753) 9.664 9.587 ( -15.374 4.157 9.278) 18.432 9.822 ( -5.367 -10.976 2.271) 12.427 10.043 ( 1.941 -10.669 6.281) 12.532 10.561 ( -0.156 -5.397 23.452) 24.065 10.723 ( -4.213 -7.460 21.456) 23.103 10.972 ( -6.215 4.596 17.295) 18.944 11.027 ( -13.309 2.229 25.344) 28.713 11.207 ( -6.316 -9.337 1.864) 11.426 11.512 ( 2.954 -1.401 10.783) 11.268 11.702 ( -20.297 0.283 0.382) 20.302 11.957 ( -16.242 -5.353 -2.508) 17.284 12.340 ( 7.014 -4.586 1.971) 8.609 12.475 ( -2.203 7.316 -2.808) 8.140 12.673 ( 0.880 -11.105 1.243) 11.209 12.902 ( 3.034 4.758 8.146) 9.910 13.112 ( -9.616 -1.028 13.221) 16.380 13.414 ( 10.143 1.619 -20.047) 22.526 13.666 ( 5.781 -6.615 -18.617) 20.585 14.021 ( -1.105 -1.688 -3.716) 4.228 14.138 ( -5.973 0.642 -3.103) 6.762 14.649 ( 12.017 3.257 -3.392) 12.904 15.097 ( -18.687 -0.593 -1.417) 18.750 15.460 ( -20.810 -1.093 2.107) 20.945 15.830 ( -3.885 -6.125 -0.905) 7.309 16.837 ( -2.485 -9.176 -19.250) 21.469 17.421 ( -0.824 -6.605 -28.927) 29.683 17.639 ( 4.717 10.016 -8.861) 14.180 18.048 ( 5.399 11.773 -9.065) 15.809 18.501 ( 6.955 -3.121 -14.724) 16.580 18.816 ( -0.065 -0.117 -29.769) 29.769 19.463 ( 6.149 17.171 -3.661) 18.602 19.572 ( 15.051 6.036 -3.605) 16.612 19.903 ( 15.315 10.290 -13.137) 22.650 20.358 ( 17.278 4.090 -10.843) 20.805 20.554 ( 5.766 0.978 2.582) 6.393 20.774 ( -7.544 -6.784 0.050) 10.145 25.401 ( 1.355 1.357 5.809) 6.117 25.499 ( 3.470 2.486 4.863) 6.471 25.691 ( 2.177 -0.435 -2.684) 3.483 25.744 ( 4.435 0.513 -3.058) 5.412 25.815 ( -1.324 1.106 4.342) 4.672 25.901 ( 2.076 -1.875 0.696) 2.883 25.944 ( 3.241 0.840 0.526) 3.389 26.063 ( 0.597 -0.557 -2.079) 2.234 26.153 ( 5.459 6.937 0.981) 8.882 26.307 ( 8.971 4.067 -2.073) 10.066 26.960 ( -2.050 -1.082 4.785) 5.317 27.046 ( 2.137 -2.017 3.037) 4.226 27.144 ( -3.906 -0.721 0.212) 3.978 27.268 ( 0.906 2.035 -1.362) 2.611 27.371 ( -4.934 -3.761 6.451) 8.950 27.496 ( -5.832 0.706 4.566) 7.440 27.602 ( -3.292 -0.425 6.751) 7.523 27.739 ( -1.401 0.441 9.768) 9.878 27.986 ( 2.481 -5.033 5.048) 7.548 28.081 ( -2.285 0.381 2.330) 3.285 28.197 ( -1.948 0.925 8.656) 8.921 28.293 ( -1.384 -2.891 6.214) 6.992 28.484 ( -8.319 -0.157 -6.433) 10.517 28.633 ( -3.049 -0.247 -1.750) 3.524 28.863 ( -7.671 2.669 0.432) 8.133 29.335 ( 4.460 -2.033 -9.463) 10.658 29.946 ( 1.054 -7.824 8.792) 11.816 30.152 ( 5.103 -11.201 5.685) 13.558 30.507 ( 0.708 9.668 -1.087) 9.754 30.799 ( 12.851 9.818 -6.173) 17.310 30.968 ( -5.778 -0.817 18.187) 19.100 32.058 ( -14.387 -6.973 -14.260) 21.423 ======================= Grid point 168 (36/56) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.351 ( 12.967 19.790 34.421) 41.768 5.052 ( 23.766 16.199 18.333) 34.107 5.173 ( -15.857 -7.130 14.785) 22.823 5.659 ( -18.828 -6.936 -3.451) 20.359 6.662 ( 2.902 3.339 9.006) 10.034 6.904 ( -4.049 -6.897 10.041) 12.837 7.235 ( -3.977 -8.500 -10.095) 13.784 7.453 ( 8.179 11.585 15.942) 21.337 7.556 ( -1.903 4.464 -8.646) 9.915 7.850 ( 12.486 -11.858 11.983) 20.978 8.097 ( 8.470 -12.931 8.758) 17.766 8.306 ( 0.405 7.042 15.927) 17.419 8.371 ( -9.047 -9.867 25.366) 28.682 8.797 ( -8.696 9.943 2.064) 13.370 9.175 ( 14.112 6.889 -3.431) 16.074 9.338 ( 9.550 -2.631 9.904) 14.007 9.512 ( 3.304 2.604 17.796) 18.286 9.719 ( 2.714 2.881 -2.464) 4.662 9.971 ( 3.446 -9.290 5.249) 11.213 10.343 ( -14.982 -7.436 24.994) 30.074 10.585 ( -0.359 0.748 9.050) 9.088 10.814 ( -6.084 -0.065 24.907) 25.639 10.953 ( -7.750 -1.992 32.809) 33.770 11.113 ( 4.048 2.375 3.899) 6.101 11.310 ( -14.610 -4.355 5.190) 16.105 11.532 ( -4.096 1.958 15.795) 16.434 11.637 ( -9.990 0.778 -2.864) 10.421 12.166 ( -9.041 -8.438 8.881) 15.225 12.510 ( 9.584 -13.485 2.520) 16.734 12.654 ( 4.866 -6.641 26.317) 27.575 12.899 ( -9.924 12.943 0.092) 16.310 13.107 ( -0.391 9.557 -2.417) 9.866 13.550 ( 6.995 -15.654 -23.747) 29.290 13.728 ( 5.300 8.893 -13.908) 17.338 13.906 ( -5.665 -3.220 -1.236) 6.633 14.210 ( 5.638 3.779 -18.339) 19.555 14.718 ( 1.712 -10.409 3.268) 11.044 14.948 ( -5.347 10.766 -14.917) 19.157 15.207 ( -8.348 0.024 2.448) 8.699 15.757 ( -4.762 5.812 -8.454) 11.310 16.656 ( -6.154 -1.419 -37.229) 37.761 17.371 ( 7.735 -13.987 -31.428) 35.259 17.796 ( 2.485 1.521 -7.512) 8.058 18.341 ( 9.028 14.948 -0.885) 17.485 18.570 ( -1.842 0.254 -8.077) 8.288 18.830 ( -2.223 5.004 -27.415) 27.957 19.571 ( -2.365 7.444 -0.319) 7.817 19.704 ( -0.159 -4.491 -4.037) 6.040 20.203 ( 5.952 6.093 -5.753) 10.278 20.434 ( -2.896 -1.256 5.716) 6.530 20.737 ( 11.637 -2.294 -5.624) 13.127 20.811 ( 6.161 -0.687 -9.543) 11.380 25.433 ( 0.057 1.780 5.564) 5.842 25.566 ( 1.959 -0.045 3.501) 4.012 25.727 ( 2.833 -1.302 -0.353) 3.138 25.783 ( -1.815 0.470 2.599) 3.205 25.834 ( 3.564 0.351 -1.717) 3.972 25.889 ( -0.297 -2.927 -1.443) 3.277 26.005 ( 2.387 0.715 0.168) 2.497 26.049 ( -0.726 -1.563 -0.874) 1.932 26.335 ( 4.313 6.089 2.725) 7.944 26.482 ( 5.129 1.081 -0.321) 5.251 26.903 ( -0.250 -3.170 5.412) 6.277 27.002 ( -3.503 -3.875 4.125) 6.656 27.081 ( -0.879 0.299 2.008) 2.213 27.236 ( -5.279 4.403 1.653) 7.070 27.367 ( 3.623 0.525 0.574) 3.705 27.435 ( -2.353 0.833 0.260) 2.510 27.546 ( -2.704 0.751 7.208) 7.735 27.703 ( -2.106 0.108 8.825) 9.073 27.937 ( 1.022 -5.622 1.842) 6.004 28.090 ( 0.119 1.361 2.169) 2.563 28.125 ( -4.891 1.013 2.049) 5.399 28.262 ( 0.416 1.381 8.572) 8.693 28.406 ( -2.265 -0.728 -4.783) 5.342 28.636 ( 0.398 4.999 1.549) 5.249 28.741 ( -7.824 2.658 5.007) 9.662 29.376 ( 3.456 -4.139 -11.031) 12.278 29.906 ( 4.077 -8.771 10.386) 14.193 30.127 ( 5.724 -11.506 6.623) 14.457 30.635 ( 2.718 8.647 6.827) 11.347 30.792 ( -7.840 -1.364 12.804) 15.076 31.196 ( 11.576 12.416 -11.113) 20.289 31.703 ( -13.964 -7.462 -13.425) 20.758 ======================= Grid point 173 (37/56) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( 13.696 23.722 38.347) 47.125 4.131 ( 10.324 17.882 47.395) 51.698 5.934 ( -2.922 -5.062 -8.409) 10.240 6.051 ( -8.080 -13.995 3.076) 16.451 6.429 ( 4.683 8.111 2.313) 9.647 6.940 ( -3.126 -5.415 -4.856) 7.917 7.007 ( 4.477 7.754 17.206) 19.396 7.223 ( 0.662 1.147 -0.090) 1.328 7.521 ( 6.270 10.860 -2.208) 12.733 7.906 ( 14.609 25.303 18.190) 34.417 7.922 ( 1.812 3.138 0.728) 3.696 8.217 ( -6.425 -11.128 6.887) 14.579 8.294 ( 0.047 0.081 29.555) 29.555 8.539 ( -6.974 -12.079 26.038) 29.538 9.137 ( -4.150 -7.188 -1.920) 8.519 9.439 ( -4.197 -7.269 17.930) 19.797 9.624 ( -4.159 -7.203 -9.769) 12.830 9.924 ( -1.402 -2.429 9.130) 9.551 10.017 ( -2.566 -4.445 8.374) 9.822 10.577 ( -2.450 -4.243 30.059) 30.455 10.679 ( -2.943 -5.097 22.570) 23.325 11.136 ( -1.212 -2.100 22.874) 23.002 11.158 ( -4.319 -7.480 2.933) 9.122 11.234 ( -4.045 -7.006 12.082) 14.540 11.340 ( -3.835 -6.643 18.029) 19.593 11.960 ( -0.923 -1.599 -9.563) 9.740 12.007 ( -7.780 -13.476 -4.221) 16.122 12.335 ( 6.461 11.191 15.852) 20.452 12.396 ( -3.895 -6.745 -5.472) 9.519 12.660 ( 3.322 5.754 -14.140) 15.623 12.826 ( -8.450 -14.637 6.981) 18.286 13.273 ( -3.423 -5.928 19.266) 20.446 13.292 ( 1.271 2.201 -22.481) 22.624 13.563 ( 3.703 6.415 -18.250) 19.696 14.111 ( -5.045 -8.738 4.281) 10.960 14.188 ( 0.823 1.426 -8.615) 8.771 14.490 ( 7.233 12.528 -2.042) 14.609 15.403 ( -13.839 -23.970 16.124) 32.032 15.409 ( -5.758 -9.974 -23.713) 26.361 16.184 ( 2.101 3.640 -0.183) 4.207 16.531 ( -1.871 -3.240 9.353) 10.073 17.487 ( -7.290 -12.626 -30.541) 33.842 17.650 ( -3.059 -5.298 -23.706) 24.483 18.021 ( 10.272 17.791 -8.606) 22.274 18.427 ( 1.349 2.336 -18.792) 18.984 18.813 ( 2.374 4.111 -24.865) 25.314 19.479 ( 12.644 21.900 -1.701) 25.345 19.565 ( 14.394 24.932 -13.035) 31.602 19.766 ( 7.238 12.537 -12.593) 19.188 20.126 ( 7.476 12.948 -14.299) 20.688 20.550 ( 0.738 1.278 6.214) 6.387 20.811 ( -7.681 -13.304 0.600) 15.374 25.401 ( 1.701 2.946 6.447) 7.289 25.473 ( 1.580 2.737 4.916) 5.844 25.677 ( 0.074 0.128 -2.924) 2.928 25.694 ( 1.961 3.397 -2.616) 4.715 25.845 ( 0.864 1.496 4.168) 4.512 25.861 ( -0.490 -0.849 0.730) 1.222 25.913 ( 1.934 3.350 1.118) 4.026 26.054 ( 0.316 0.547 -2.303) 2.388 26.145 ( 4.213 7.297 0.185) 8.428 26.239 ( 4.135 7.163 -2.370) 8.604 26.988 ( -0.670 -1.160 2.946) 3.236 26.993 ( -1.291 -2.235 4.960) 5.592 27.191 ( -0.107 -0.185 -0.796) 0.824 27.243 ( 0.399 0.692 0.851) 1.167 27.413 ( -2.807 -4.862 3.941) 6.859 27.570 ( -2.008 -3.478 5.762) 7.024 27.642 ( 0.520 0.900 7.410) 7.483 27.748 ( -1.714 -2.969 8.101) 8.797 27.917 ( -0.569 -0.985 7.476) 7.562 28.115 ( -1.115 -1.931 -0.446) 2.274 28.205 ( -0.075 -0.130 11.696) 11.697 28.298 ( -1.130 -1.957 6.490) 6.872 28.595 ( -2.153 -3.730 -5.575) 7.045 28.640 ( -2.488 -4.309 -2.791) 5.705 28.985 ( -0.091 -0.157 -3.212) 3.218 29.240 ( -1.132 -1.962 -9.022) 9.302 29.904 ( -3.997 -6.924 6.458) 10.277 30.033 ( -2.162 -3.745 10.859) 11.688 30.622 ( 6.869 11.897 -7.867) 15.831 30.662 ( 4.915 8.513 -0.526) 9.844 31.018 ( -1.923 -3.331 18.515) 18.910 32.158 ( -7.102 -12.301 -14.614) 20.379 ======================= Grid point 174 (38/56) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.430 ( 8.479 31.787 31.383) 45.467 4.692 ( 29.404 19.787 25.530) 43.680 5.585 ( -24.841 -3.404 8.108) 26.352 5.884 ( -6.277 -3.369 -8.538) 11.120 6.580 ( 3.851 1.400 0.385) 4.116 6.764 ( 1.498 -17.673 13.421) 22.242 7.122 ( 4.970 -5.819 4.122) 8.692 7.364 ( 5.233 6.632 20.279) 21.968 7.508 ( 0.203 -8.265 -7.375) 11.079 7.773 ( -0.910 -19.661 19.633) 27.800 7.998 ( -16.114 7.683 -7.203) 19.250 8.172 ( -1.158 -12.558 14.960) 19.566 8.422 ( 10.592 -0.244 15.679) 18.923 8.851 ( 5.609 7.584 4.578) 10.485 8.948 ( 21.703 17.137 20.880) 34.651 9.382 ( -3.789 9.700 20.652) 23.129 9.599 ( -4.723 -4.059 -7.185) 9.508 9.832 ( -7.010 10.008 5.970) 13.599 9.970 ( -1.021 4.599 1.132) 4.845 10.469 ( -2.607 -1.282 23.440) 23.619 10.569 ( -3.186 -5.153 21.688) 22.518 10.974 ( -6.412 -3.700 17.649) 19.139 11.034 ( -3.358 -6.351 4.408) 8.429 11.051 ( -7.104 -1.912 29.556) 30.457 11.433 ( 12.265 -3.776 12.905) 18.199 11.634 ( -21.077 -5.035 1.575) 21.727 11.857 ( -8.127 -7.470 9.160) 14.344 12.120 ( -5.349 -14.887 -4.563) 16.464 12.308 ( -16.232 -22.434 4.822) 28.107 12.498 ( 5.000 -5.017 31.865) 32.643 12.880 ( 11.981 -4.416 -8.342) 15.252 13.192 ( -1.255 1.411 -7.850) 8.074 13.284 ( 2.500 -10.914 -19.558) 22.537 13.785 ( 7.519 15.717 -22.296) 28.296 13.987 ( -3.426 2.404 9.382) 10.273 14.239 ( 0.146 8.940 -16.885) 19.106 14.638 ( 2.291 -4.657 12.850) 13.858 15.064 ( -7.951 -3.892 -9.691) 13.126 15.226 ( -5.568 -7.423 -26.517) 28.094 16.188 ( -12.850 24.623 4.106) 28.076 16.652 ( 11.940 -6.004 -13.523) 19.013 17.158 ( -9.229 -12.035 -37.273) 40.240 17.569 ( 8.308 -15.635 -10.062) 20.365 18.366 ( 7.416 14.358 -10.774) 19.422 18.542 ( 3.932 4.703 -19.489) 20.431 18.912 ( 1.195 7.467 -19.375) 20.799 19.795 ( -4.636 13.424 -3.704) 14.677 19.845 ( -6.813 15.682 -1.499) 17.163 20.098 ( 13.754 7.452 -5.037) 16.433 20.368 ( 16.476 -1.163 -7.435) 18.113 20.534 ( -5.217 -4.576 3.585) 7.811 20.693 ( 6.071 0.225 -5.166) 7.975 25.462 ( 0.563 3.714 6.331) 7.361 25.525 ( 2.159 0.441 4.395) 4.916 25.672 ( 0.824 -1.656 -1.781) 2.567 25.774 ( 2.390 2.214 -2.134) 3.895 25.823 ( -1.419 -0.907 0.685) 1.818 25.878 ( 0.967 0.541 2.674) 2.895 25.980 ( 1.850 1.938 0.551) 2.735 26.054 ( -0.628 -0.366 -1.565) 1.725 26.327 ( 5.186 8.985 2.321) 10.631 26.410 ( 5.882 5.478 -0.894) 8.087 26.888 ( -3.915 -5.878 4.554) 8.403 26.939 ( -0.611 -7.656 3.800) 8.569 27.174 ( -3.399 3.389 1.569) 5.050 27.277 ( 3.781 -1.046 3.756) 5.431 27.361 ( -1.579 3.030 -0.896) 3.532 27.499 ( -3.099 -1.264 1.737) 3.771 27.625 ( -3.953 2.737 5.778) 7.517 27.717 ( 0.891 -1.900 6.455) 6.788 27.843 ( -1.141 -8.157 7.083) 10.863 28.114 ( 0.235 3.131 -3.985) 5.073 28.218 ( -1.554 0.680 6.299) 6.524 28.234 ( 0.987 -0.880 9.664) 9.754 28.499 ( -7.233 -0.814 -3.864) 8.240 28.639 ( 3.449 2.140 -0.586) 4.101 28.909 ( -7.558 1.017 -0.336) 7.633 29.203 ( 4.321 -10.296 -10.381) 15.246 29.803 ( -0.193 -4.299 11.434) 12.217 29.979 ( 1.031 -5.209 15.099) 16.005 30.723 ( -2.460 5.967 8.370) 10.569 30.878 ( 0.920 5.020 1.186) 5.239 31.066 ( 11.058 7.027 -6.072) 14.440 31.843 ( -11.879 -13.009 -13.700) 22.317 ======================= Grid point 175 (39/56) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.809 ( -10.276 17.799 26.522) 33.553 5.146 ( -3.405 5.898 9.250) 11.487 5.388 ( -3.803 6.587 6.446) 9.971 5.612 ( -7.644 13.241 13.475) 20.379 6.611 ( 4.347 -7.529 6.658) 10.951 6.619 ( 10.867 -18.821 11.175) 24.438 7.140 ( 1.679 -2.907 0.001) 3.357 7.439 ( 9.584 -16.599 11.753) 22.484 7.504 ( 4.033 -6.985 9.473) 12.441 7.774 ( -4.294 7.438 -6.427) 10.727 7.836 ( 8.542 -14.795 32.483) 36.702 7.945 ( 1.296 -2.245 -9.449) 9.798 8.583 ( 0.759 -1.314 13.381) 13.466 8.821 ( 7.312 -12.664 -9.666) 17.530 9.404 ( -8.527 14.769 18.654) 25.274 9.414 ( -6.342 10.984 1.317) 12.751 9.571 ( -6.730 11.656 20.672) 24.667 9.914 ( -5.474 9.482 5.927) 12.450 10.042 ( -4.898 8.484 6.638) 11.834 10.308 ( -3.526 6.108 36.729) 37.400 10.659 ( -0.435 0.753 -5.435) 5.504 10.852 ( 0.796 -1.378 37.187) 37.221 10.870 ( -2.275 3.941 26.721) 27.106 11.002 ( 4.723 -8.181 7.904) 12.317 11.277 ( -3.066 5.311 11.886) 13.375 11.601 ( 1.499 -2.596 -11.137) 11.534 11.653 ( 0.036 -0.062 16.696) 16.696 11.980 ( 5.210 -9.024 12.815) 16.516 12.005 ( 13.288 -23.015 -2.407) 26.684 12.505 ( 4.485 -7.769 38.441) 39.474 13.075 ( 3.617 -6.265 -21.549) 22.731 13.089 ( 5.792 -10.033 -1.494) 11.681 13.244 ( 4.017 -6.958 -20.323) 21.853 13.958 ( -4.881 8.455 5.337) 11.126 13.980 ( -5.922 10.257 -1.286) 11.913 14.455 ( -9.181 15.902 -33.701) 38.378 14.514 ( 1.668 -2.890 2.455) 4.142 14.936 ( 7.708 -13.351 -13.259) 20.334 15.120 ( -1.338 2.318 -22.700) 22.857 16.225 ( -15.639 27.088 6.235) 31.894 16.721 ( -2.254 3.903 -28.270) 28.627 17.011 ( 8.498 -14.719 -38.565) 42.145 17.570 ( 11.687 -20.243 1.058) 23.399 18.570 ( -0.675 1.169 -16.098) 16.154 18.574 ( -3.794 6.572 -13.849) 15.792 18.981 ( -2.209 3.826 -16.565) 17.143 19.771 ( -5.295 9.172 -2.758) 10.944 19.815 ( -9.024 15.631 -4.437) 18.586 20.276 ( -0.643 1.114 -1.941) 2.329 20.442 ( -0.865 1.498 7.773) 7.963 20.634 ( 4.532 -7.849 -1.217) 9.145 20.715 ( 4.213 -7.296 -13.153) 15.620 25.490 ( -1.570 2.719 5.980) 6.755 25.548 ( 0.560 -0.970 3.503) 3.678 25.676 ( 1.664 -2.883 0.308) 3.343 25.784 ( -0.082 0.143 -0.858) 0.874 25.824 ( 0.445 -0.772 -1.390) 1.651 25.893 ( -0.967 1.675 2.065) 2.829 26.017 ( 0.276 -0.478 0.631) 0.839 26.031 ( -0.292 0.506 -0.881) 1.057 26.457 ( -2.933 5.081 2.615) 6.423 26.507 ( -0.925 1.602 0.876) 2.047 26.795 ( 3.094 -5.358 4.384) 7.583 26.864 ( 4.111 -7.121 4.340) 9.298 27.162 ( -2.908 5.037 1.348) 5.970 27.310 ( -0.533 0.922 3.046) 3.227 27.409 ( 0.489 -0.847 0.426) 1.067 27.425 ( -1.896 3.283 -0.620) 3.842 27.603 ( -2.454 4.250 5.253) 7.188 27.701 ( 0.848 -1.469 3.718) 4.086 27.786 ( 3.615 -6.262 5.859) 9.306 28.146 ( -2.520 4.365 2.426) 5.594 28.187 ( -1.300 2.252 3.128) 4.068 28.295 ( -0.292 0.506 9.495) 9.513 28.383 ( -0.121 0.210 -5.937) 5.942 28.715 ( -1.384 2.397 -4.248) 5.070 28.809 ( -2.042 3.537 6.208) 7.431 29.184 ( 7.224 -12.512 -12.311) 18.981 29.785 ( 1.224 -2.121 13.453) 13.674 29.959 ( 3.066 -5.310 17.072) 18.140 30.720 ( 0.026 -0.046 17.166) 17.167 30.895 ( -6.314 10.937 -5.477) 13.765 31.367 ( -0.085 0.147 -10.919) 10.920 31.527 ( 3.178 -5.504 -13.340) 14.777 ======================= Grid point 182 (40/56) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.971 ( 10.211 17.686 17.374) 26.812 5.204 ( 6.492 11.245 1.742) 13.101 5.559 ( 8.635 14.956 14.940) 22.835 5.938 ( 3.343 5.790 10.272) 12.256 6.329 ( -9.996 -17.314 12.816) 23.748 6.395 ( -13.240 -22.933 14.803) 30.337 7.053 ( 2.200 3.811 9.182) 10.182 7.285 ( -5.107 -8.845 2.697) 10.564 7.340 ( -7.707 -13.349 14.319) 21.039 7.676 ( 9.270 16.056 13.222) 22.772 7.958 ( -2.566 -4.445 0.046) 5.132 7.992 ( -4.721 -8.176 -6.359) 11.383 8.425 ( 1.180 2.044 12.793) 13.009 8.635 ( -7.299 -12.642 -7.208) 16.281 9.515 ( -0.491 -0.851 -0.728) 1.223 9.585 ( 4.890 8.469 20.336) 22.565 9.825 ( 20.659 35.783 34.796) 54.019 10.041 ( 3.843 6.656 8.751) 11.647 10.152 ( 5.219 9.039 -2.384) 10.706 10.509 ( 3.991 6.913 22.226) 23.616 10.530 ( -2.594 -4.492 14.480) 15.381 10.836 ( -2.137 -3.702 31.030) 31.323 10.912 ( -2.677 -4.636 21.845) 22.491 11.015 ( -2.546 -4.410 21.777) 22.364 11.414 ( 1.580 2.737 4.088) 5.167 11.511 ( -7.220 -12.506 2.286) 14.621 11.583 ( -5.339 -9.248 9.411) 14.233 11.756 ( -10.305 -17.849 0.432) 20.615 11.811 ( -7.760 -13.440 3.532) 15.916 12.404 ( -1.635 -2.832 41.082) 41.212 12.888 ( 3.237 5.607 -17.523) 18.681 13.057 ( -4.435 -7.682 -20.416) 22.259 13.123 ( -3.492 -6.048 -5.074) 8.632 14.092 ( 2.894 5.012 1.509) 5.981 14.094 ( 4.542 7.867 -12.767) 15.669 14.510 ( -2.312 -4.005 31.888) 32.221 14.569 ( 12.003 20.790 -36.220) 43.454 14.953 ( -4.703 -8.147 -30.174) 31.606 15.054 ( -5.726 -9.918 -32.179) 34.156 16.633 ( 4.483 7.764 -25.921) 27.428 16.682 ( 8.419 14.582 -0.414) 16.843 16.937 ( -4.525 -7.837 -23.348) 25.040 17.206 ( -9.050 -15.675 -0.483) 18.107 18.602 ( 4.294 7.438 -17.715) 19.687 18.625 ( 1.603 2.777 -20.146) 20.399 18.994 ( -0.445 -0.771 -12.380) 12.412 19.903 ( -0.215 -0.373 -6.284) 6.299 20.165 ( 4.294 7.438 -1.572) 8.732 20.217 ( 3.446 5.968 1.489) 7.051 20.419 ( 4.211 7.294 -6.684) 10.752 20.490 ( -0.038 -0.066 7.700) 7.701 20.629 ( -4.170 -7.223 -9.339) 12.521 25.524 ( 0.815 1.412 5.695) 5.923 25.534 ( 0.266 0.461 4.212) 4.246 25.641 ( -0.465 -0.806 -0.821) 1.241 25.799 ( -0.267 -0.462 -1.264) 1.372 25.806 ( 0.195 0.337 -0.815) 0.903 25.913 ( 1.028 1.781 3.558) 4.109 26.011 ( 0.577 0.999 0.331) 1.201 26.038 ( -0.625 -1.083 -0.625) 1.398 26.521 ( 5.068 8.777 3.088) 10.595 26.537 ( 3.437 5.953 0.813) 6.922 26.739 ( -4.250 -7.361 3.579) 9.223 26.758 ( -4.681 -8.107 4.029) 10.192 27.250 ( 1.142 1.978 1.530) 2.749 27.276 ( 0.886 1.534 2.085) 2.736 27.397 ( -0.644 -1.115 -0.095) 1.292 27.493 ( 1.538 2.664 1.402) 3.381 27.639 ( -3.281 -5.683 1.171) 6.666 27.683 ( 0.498 0.863 4.465) 4.575 27.718 ( -0.647 -1.121 7.342) 7.456 28.199 ( 0.681 1.180 2.003) 2.423 28.242 ( 2.986 5.172 -2.922) 6.649 28.256 ( 1.006 1.743 16.295) 16.419 28.415 ( -3.636 -6.297 -3.339) 8.002 28.739 ( 3.779 6.546 -4.952) 9.036 28.897 ( -1.486 -2.574 -1.259) 3.228 28.967 ( -5.136 -8.896 -8.835) 13.549 29.786 ( 1.153 1.998 16.936) 17.092 29.886 ( -2.249 -3.895 19.527) 20.038 30.719 ( -0.848 -1.469 16.604) 16.691 31.143 ( 6.657 11.531 -11.633) 17.680 31.183 ( 4.343 7.522 -8.161) 11.918 31.524 ( -9.506 -16.464 -12.753) 22.893 ======================= Grid point 186 (41/56) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( -6.830 11.831 52.534) 54.281 4.235 ( -13.436 23.272 38.635) 47.062 5.881 ( 10.451 -18.101 -13.004) 24.617 5.922 ( 5.364 -9.290 -3.497) 11.283 6.549 ( 5.091 -8.818 -2.346) 10.449 6.673 ( -10.756 18.630 26.830) 34.390 7.038 ( -5.242 9.080 4.805) 11.533 7.324 ( -4.571 7.918 -13.967) 16.693 7.591 ( -3.940 6.824 19.122) 20.682 7.964 ( -8.326 14.421 -8.118) 18.525 8.132 ( -9.753 16.892 26.714) 33.077 8.203 ( 6.455 -11.180 23.887) 27.152 8.403 ( 0.758 -1.313 13.637) 13.721 8.802 ( 6.955 -12.046 0.490) 13.918 8.942 ( -4.582 7.936 9.333) 13.080 9.231 ( 7.288 -12.623 5.459) 15.564 9.446 ( 8.365 -14.488 2.750) 16.954 10.022 ( 1.011 -1.750 19.587) 19.691 10.292 ( -0.441 0.763 -5.281) 5.354 10.574 ( -2.208 3.824 34.298) 34.581 10.788 ( 5.399 -9.351 22.101) 24.597 10.833 ( 0.959 -1.662 19.218) 19.314 11.097 ( 6.033 -10.449 11.500) 16.669 11.382 ( 3.423 -5.929 9.719) 11.889 11.396 ( 2.782 -4.818 -3.224) 6.430 11.756 ( 7.635 -13.225 11.638) 19.200 12.010 ( 8.118 -14.060 -9.624) 18.873 12.303 ( -3.328 5.764 -17.191) 18.434 12.345 ( 10.347 -17.922 -0.946) 20.716 12.765 ( -3.572 6.187 17.093) 18.526 12.945 ( -3.013 5.219 3.151) 6.800 13.124 ( 2.314 -4.007 16.514) 17.150 13.378 ( -3.248 5.625 -15.854) 17.133 13.863 ( -2.959 5.124 -10.951) 12.447 13.867 ( -6.456 11.183 -11.450) 17.258 14.232 ( 5.105 -8.841 1.191) 10.278 14.587 ( -6.246 10.818 -9.975) 15.986 15.171 ( 17.043 -29.519 22.454) 40.816 15.245 ( 10.384 -17.986 -16.716) 26.660 16.203 ( 5.521 -9.563 -10.430) 15.189 16.976 ( -4.454 7.714 9.660) 13.140 17.142 ( 0.563 -0.976 -17.478) 17.514 17.652 ( 3.958 -6.856 -31.376) 32.359 17.943 ( -5.005 8.669 -13.526) 16.827 18.623 ( -0.759 1.315 -10.213) 10.326 18.754 ( 0.274 -0.475 -24.454) 24.460 19.307 ( -8.539 14.789 -7.526) 18.662 19.519 ( -12.187 21.108 -12.057) 27.192 19.743 ( -10.690 18.515 -16.119) 26.775 20.284 ( -8.305 14.385 -9.799) 19.285 20.552 ( -3.365 5.829 3.445) 7.561 20.857 ( 5.969 -10.339 0.188) 11.939 25.405 ( -1.097 1.900 5.433) 5.860 25.446 ( -1.820 3.153 4.642) 5.899 25.708 ( -1.890 3.274 -3.129) 4.907 25.730 ( -2.169 3.757 -2.707) 5.113 25.800 ( 0.589 -1.020 4.167) 4.330 25.923 ( -1.867 3.234 3.384) 5.040 25.951 ( -2.439 4.225 -0.277) 4.887 26.046 ( -1.898 3.288 -1.963) 4.274 26.089 ( -0.575 0.995 -1.142) 1.620 26.257 ( -5.059 8.763 -2.231) 10.362 26.967 ( 1.044 -1.808 4.835) 5.266 27.056 ( -1.070 1.853 2.955) 3.649 27.163 ( 1.325 -2.295 -1.562) 3.076 27.244 ( -0.022 0.038 -1.474) 1.475 27.414 ( 3.065 -5.308 4.257) 7.463 27.498 ( 3.015 -5.223 14.026) 15.267 27.620 ( 2.500 -4.330 1.983) 5.379 27.715 ( 0.282 -0.489 10.224) 10.240 28.049 ( -2.841 4.921 2.699) 6.290 28.078 ( 2.756 -4.774 9.116) 10.653 28.185 ( 1.968 -3.409 6.513) 7.610 28.310 ( -1.557 2.697 9.104) 9.622 28.516 ( 6.891 -11.936 -8.953) 16.435 28.631 ( 3.114 -5.393 -3.463) 7.125 28.827 ( 3.132 -5.425 1.145) 6.368 29.342 ( -1.755 3.039 -9.588) 10.210 30.062 ( -1.714 2.970 8.814) 9.457 30.288 ( -1.743 3.020 6.836) 7.674 30.469 ( -2.771 4.799 -7.790) 9.560 30.578 ( -5.489 9.508 -6.593) 12.806 30.991 ( 3.557 -6.161 22.882) 23.962 32.132 ( 7.782 -13.479 -14.447) 21.236 ======================= Grid point 194 (42/56) ======================= q-point: (-0.29 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.066 ( -17.236 16.611 40.542) 47.081 4.797 ( -19.212 20.147 21.685) 35.288 5.440 ( 20.829 -5.626 6.331) 22.485 5.738 ( 4.603 -9.518 -2.218) 10.803 6.415 ( -7.892 -17.212 4.437) 19.448 6.936 ( -3.728 -4.799 12.375) 13.786 7.223 ( 3.210 6.956 10.040) 12.629 7.484 ( 3.863 -0.400 3.989) 5.567 7.592 ( -0.019 7.573 9.782) 12.370 7.859 ( -2.457 -0.595 0.003) 2.528 8.169 ( 2.753 -8.261 5.054) 10.068 8.232 ( -0.862 -14.057 12.084) 18.557 8.493 ( 4.448 15.802 16.262) 23.107 8.744 ( -10.965 1.054 3.777) 11.645 9.131 ( -1.763 18.139 5.666) 19.085 9.268 ( -12.836 13.113 12.326) 22.105 9.427 ( -6.203 1.802 3.341) 7.272 9.979 ( 11.006 13.433 10.775) 20.437 10.197 ( 8.873 4.469 3.675) 10.593 10.571 ( 2.929 -14.029 19.131) 23.904 10.658 ( 10.221 3.965 13.394) 17.309 10.811 ( 2.472 -7.098 23.361) 24.540 10.884 ( 1.367 1.712 26.821) 26.911 11.078 ( 9.651 -11.465 8.414) 17.187 11.366 ( 5.414 -11.339 9.150) 15.544 11.389 ( -0.252 -10.493 1.678) 10.629 11.722 ( 10.323 -14.656 2.230) 18.064 12.039 ( -11.789 -25.704 4.046) 28.567 12.368 ( 2.017 -4.765 -3.677) 6.348 12.856 ( 3.641 1.227 30.315) 30.558 12.945 ( 3.962 4.934 6.890) 9.355 13.066 ( 6.144 6.002 4.284) 9.598 13.513 ( -5.421 6.091 -26.034) 27.281 13.875 ( 0.107 -4.005 -1.180) 4.177 14.058 ( 8.962 9.482 -11.657) 17.496 14.173 ( -5.476 10.384 -13.550) 17.928 14.690 ( -2.460 -10.249 -6.704) 12.491 14.737 ( -0.920 -18.639 -2.098) 18.780 14.965 ( -0.676 -16.787 -12.818) 21.132 16.073 ( 10.693 17.689 -15.584) 25.886 16.840 ( 17.717 5.338 -27.203) 32.899 17.376 ( -18.436 -11.251 -15.687) 26.694 17.605 ( -6.980 -0.831 -8.215) 10.812 18.110 ( -5.426 6.689 -14.352) 16.738 18.572 ( 3.223 -4.261 -4.946) 7.281 18.782 ( -1.522 -2.619 -21.254) 21.469 19.516 ( -1.509 6.873 -3.758) 7.978 19.873 ( -4.289 14.562 -2.912) 15.457 20.094 ( -4.698 11.304 -6.695) 13.953 20.433 ( -4.433 0.806 -3.151) 5.498 20.693 ( -2.605 -2.392 -3.352) 4.872 20.829 ( -5.528 11.640 -7.427) 14.874 25.435 ( 0.435 2.718 4.718) 5.462 25.526 ( -4.042 0.663 3.907) 5.661 25.740 ( 0.932 -1.899 0.256) 2.131 25.782 ( -0.012 2.668 1.164) 2.911 25.822 ( -3.060 3.213 -2.340) 5.017 25.965 ( 0.945 2.417 -0.076) 2.596 26.015 ( 0.047 4.469 -0.749) 4.531 26.081 ( 0.801 0.740 -1.858) 2.154 26.212 ( -8.097 4.507 3.518) 9.912 26.455 ( -5.777 7.752 -1.077) 9.727 26.904 ( 1.687 -5.057 4.888) 7.232 27.032 ( 3.334 -5.443 1.270) 6.508 27.123 ( 0.742 0.859 3.335) 3.523 27.194 ( 3.093 -3.670 1.277) 4.966 27.350 ( -1.357 -1.496 0.615) 2.111 27.437 ( 1.191 1.515 8.573) 8.787 27.543 ( 1.692 -2.710 4.214) 5.288 27.703 ( 0.333 -1.048 8.728) 8.797 27.969 ( 2.067 -4.451 4.799) 6.864 28.082 ( 2.354 -4.545 3.957) 6.470 28.159 ( -0.513 4.281 3.664) 5.658 28.272 ( 4.164 -3.258 0.287) 5.295 28.403 ( 0.052 0.446 0.758) 0.881 28.525 ( -1.486 -6.919 -1.655) 7.267 28.706 ( 2.966 -6.419 6.163) 9.380 29.392 ( -1.380 0.968 -10.653) 10.786 30.112 ( 4.498 10.158 10.935) 15.588 30.370 ( -1.620 5.854 9.740) 11.479 30.507 ( 1.934 7.238 -5.632) 9.373 30.830 ( 5.553 -7.372 18.172) 20.381 30.895 ( -17.803 2.239 -10.188) 20.634 31.808 ( 10.686 -13.603 -13.508) 21.947 ======================= Grid point 200 (43/56) ======================= q-point: (-0.43 0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.458 ( 3.732 6.463 29.500) 30.429 4.946 ( -0.499 -0.863 17.171) 17.199 5.371 ( -0.255 -0.441 5.792) 5.814 5.552 ( 6.882 11.920 11.316) 17.818 6.531 ( -14.904 -25.814 12.840) 32.455 6.651 ( -3.245 -5.620 14.599) 15.976 7.301 ( -2.727 -4.724 1.229) 5.591 7.345 ( 4.436 7.684 1.915) 9.077 7.680 ( 0.211 0.366 7.308) 7.320 7.857 ( -7.884 -13.656 -5.137) 16.584 8.185 ( 5.622 9.738 2.992) 11.635 8.190 ( -7.129 -12.347 13.609) 19.710 8.545 ( 8.753 15.160 14.615) 22.804 8.790 ( 4.604 7.975 7.695) 12.001 9.423 ( 6.932 12.007 -5.441) 14.895 9.431 ( 0.598 1.036 6.515) 6.624 9.627 ( 3.561 6.168 10.083) 12.345 9.872 ( 6.165 10.678 -5.345) 13.439 10.177 ( 0.038 0.066 36.399) 36.399 10.273 ( 7.916 13.710 11.029) 19.294 10.510 ( -2.935 -5.083 5.940) 8.351 10.816 ( 1.011 1.750 32.165) 32.228 10.833 ( -1.858 -3.218 17.450) 17.841 11.030 ( -6.704 -11.611 9.862) 16.644 11.128 ( -0.816 -1.414 17.749) 17.824 11.465 ( -5.592 -9.686 14.941) 18.663 11.568 ( 0.363 0.628 -1.901) 2.035 12.034 ( 0.230 0.399 3.199) 3.232 12.175 ( -17.563 -30.419 7.121) 35.840 12.779 ( 3.278 5.677 23.608) 24.501 13.001 ( -0.845 -1.464 17.104) 17.188 13.008 ( 6.885 11.925 -0.758) 13.791 13.675 ( 1.562 2.705 -26.798) 26.980 13.780 ( -3.454 -5.983 1.192) 7.010 14.043 ( 10.798 18.703 -25.976) 33.781 14.301 ( 2.007 3.476 -12.367) 13.002 14.611 ( -15.010 -25.997 11.728) 32.229 14.666 ( -8.083 -14.000 -26.443) 30.993 14.899 ( -2.751 -4.764 -15.148) 16.116 16.103 ( 16.858 29.199 -12.303) 35.891 16.670 ( 3.706 6.419 -38.635) 39.340 17.461 ( -4.947 -8.568 -27.764) 29.474 17.711 ( -3.156 -5.467 5.164) 8.156 18.336 ( -4.082 -7.070 -6.798) 10.623 18.392 ( -2.504 -4.337 -2.842) 5.758 18.768 ( -1.610 -2.789 -22.293) 22.524 19.564 ( 2.533 4.388 -3.006) 5.891 19.969 ( 10.353 17.932 -1.737) 20.779 20.196 ( -1.815 -3.143 -3.506) 5.047 20.421 ( 1.330 2.304 1.697) 3.156 20.856 ( -0.846 -1.466 -13.004) 13.114 20.888 ( 1.280 2.217 -4.249) 4.961 25.446 ( 1.281 2.219 4.404) 5.095 25.580 ( -0.392 -0.679 3.127) 3.224 25.702 ( -2.556 -4.427 2.895) 5.874 25.807 ( 2.058 3.565 -0.632) 4.165 25.880 ( 0.521 0.903 -2.745) 2.936 25.958 ( 2.440 4.226 -0.473) 4.902 26.049 ( 1.051 1.821 -1.113) 2.379 26.065 ( 0.984 1.705 -1.158) 2.284 26.344 ( -0.027 -0.047 4.189) 4.189 26.566 ( 2.316 4.012 0.292) 4.642 26.861 ( -3.944 -6.832 3.608) 8.674 26.916 ( -1.679 -2.909 3.895) 5.143 27.127 ( 0.922 1.597 3.837) 4.257 27.133 ( -0.755 -1.307 1.524) 2.145 27.370 ( -0.694 -1.202 -1.036) 1.732 27.450 ( 1.177 2.038 2.902) 3.736 27.506 ( -0.594 -1.029 7.520) 7.613 27.687 ( 0.750 1.299 9.775) 9.889 27.964 ( -0.608 -1.052 2.308) 2.609 27.973 ( -2.792 -4.836 1.495) 5.781 28.191 ( 1.809 3.133 -0.234) 3.625 28.235 ( 0.571 0.988 8.549) 8.624 28.372 ( -1.836 -3.180 -8.181) 8.967 28.571 ( -2.902 -5.027 7.847) 9.761 28.600 ( -1.493 -2.586 6.288) 6.961 29.411 ( -0.320 -0.554 -11.682) 11.700 30.121 ( 6.688 11.584 11.565) 17.683 30.409 ( 7.815 13.537 2.773) 15.875 30.626 ( -2.771 -4.800 17.785) 18.628 30.645 ( -0.633 -1.097 2.653) 2.940 31.148 ( -5.236 -9.068 -12.521) 16.322 31.563 ( -1.926 -3.336 -12.452) 13.034 ======================= Grid point 202 (44/56) ======================= q-point: (-0.29 0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( -13.778 23.864 26.579) 38.285 4.982 ( 3.570 -6.184 9.594) 11.960 5.390 ( 1.850 -3.205 11.641) 12.215 5.803 ( -9.755 16.896 18.422) 26.833 6.036 ( 6.340 -10.981 5.449) 13.801 6.612 ( 13.515 -23.408 18.367) 32.679 7.255 ( -0.643 1.114 16.990) 17.038 7.394 ( 5.096 -8.827 14.224) 17.499 7.686 ( 0.448 -0.776 -0.759) 1.174 7.700 ( 2.626 -4.549 -11.412) 12.563 8.127 ( -2.857 4.948 -2.028) 6.063 8.217 ( -3.511 6.081 -2.419) 7.427 8.741 ( -4.309 7.463 12.741) 15.382 8.859 ( -1.208 2.092 5.004) 5.556 9.440 ( -0.919 1.592 11.889) 12.030 9.573 ( -13.657 23.655 3.665) 27.559 9.706 ( -11.260 19.503 -2.674) 22.678 10.106 ( 7.206 -12.482 -12.738) 19.235 10.188 ( -1.474 2.553 24.984) 25.157 10.342 ( 2.949 -5.108 36.293) 36.770 10.482 ( 9.949 -17.232 19.976) 28.196 10.814 ( -2.095 3.629 21.400) 21.806 10.894 ( -0.005 0.008 12.535) 12.535 11.005 ( 6.028 -10.440 7.737) 14.325 11.045 ( -0.687 1.189 28.855) 28.888 11.258 ( 5.749 -9.957 15.385) 19.207 11.410 ( 7.351 -12.732 -4.272) 15.310 11.783 ( -9.258 16.036 7.529) 19.988 12.251 ( 6.482 -11.227 -2.911) 13.287 12.840 ( 1.759 -3.047 33.775) 33.958 13.040 ( -2.628 4.552 2.438) 5.794 13.133 ( 0.637 -1.104 3.503) 3.728 13.598 ( 6.648 -11.514 38.797) 41.012 13.703 ( -4.642 8.041 -36.651) 37.809 14.270 ( 0.702 -1.216 -8.612) 8.726 14.288 ( 2.080 -3.603 -21.328) 21.730 14.399 ( 2.766 -4.791 -22.727) 23.391 14.497 ( -3.229 5.593 -29.267) 29.971 14.784 ( 4.239 -7.342 -21.855) 23.441 16.518 ( -12.982 22.485 -19.982) 32.763 17.013 ( 3.326 -5.761 -31.661) 32.352 17.024 ( 4.088 -7.081 -18.379) 20.116 17.631 ( -1.105 1.913 15.845) 15.998 18.249 ( -3.397 5.884 -13.387) 15.012 18.380 ( 5.143 -8.908 -6.990) 12.436 18.708 ( 2.629 -4.554 -15.513) 16.381 19.664 ( -3.061 5.302 -7.146) 9.410 20.085 ( -4.293 7.436 1.334) 8.690 20.227 ( 2.073 -3.590 5.763) 7.099 20.544 ( -4.024 6.969 -13.612) 15.813 20.728 ( -4.636 8.031 -6.149) 11.126 20.923 ( 1.981 -3.431 -7.151) 8.174 25.511 ( -1.961 3.397 3.555) 5.294 25.535 ( -0.632 1.095 3.346) 3.577 25.645 ( 3.006 -5.206 2.580) 6.542 25.859 ( -1.398 2.422 -1.431) 3.141 25.880 ( -0.974 1.688 -1.898) 2.721 26.006 ( -0.876 1.517 0.001) 1.752 26.083 ( -0.701 1.214 -2.494) 2.861 26.087 ( 0.072 -0.125 -1.972) 1.978 26.339 ( -3.464 6.000 6.083) 9.220 26.628 ( -4.593 7.956 0.559) 9.204 26.761 ( 3.546 -6.142 4.157) 8.221 26.866 ( 5.012 -8.681 1.125) 10.087 27.131 ( -0.181 0.314 3.641) 3.659 27.146 ( 0.840 -1.455 3.622) 3.992 27.349 ( -0.493 0.854 -1.032) 1.427 27.478 ( -0.587 1.017 7.174) 7.269 27.495 ( 0.870 -1.507 4.094) 4.449 27.733 ( -2.048 3.547 9.740) 10.566 27.890 ( 0.886 -1.534 4.500) 4.836 27.956 ( 3.711 -6.428 5.167) 9.044 28.220 ( 0.038 -0.065 -5.565) 5.566 28.251 ( -1.627 2.817 -0.925) 3.382 28.345 ( 3.443 -5.963 -3.057) 7.534 28.487 ( -2.098 3.635 9.484) 10.371 28.590 ( 2.745 -4.755 9.341) 10.835 29.399 ( 0.017 -0.029 -13.041) 13.041 30.331 ( -4.531 7.848 14.486) 17.087 30.423 ( -2.239 3.878 14.773) 15.437 30.601 ( 4.583 -7.938 17.238) 19.523 30.768 ( -3.294 5.706 -12.099) 13.777 30.931 ( -1.053 1.824 -12.476) 12.653 31.538 ( 5.521 -9.562 -11.930) 16.255 ======================= Grid point 220 (45/56) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.725 ( 0.000 0.000 55.032) 55.032 4.725 ( 0.000 -0.000 55.032) 55.032 5.700 ( 0.000 -0.000 -41.389) 41.389 5.700 ( 0.000 -0.000 -41.389) 41.389 6.569 ( 0.000 -0.000 13.868) 13.868 6.850 ( -0.000 0.000 -14.942) 14.942 6.917 ( 0.000 0.000 8.215) 8.215 6.917 ( 0.000 0.000 8.215) 8.215 7.212 ( 0.000 0.000 -21.274) 21.274 7.212 ( 0.000 0.000 -21.274) 21.274 7.909 ( -0.000 0.000 36.641) 36.641 8.350 ( 0.000 0.000 -13.273) 13.273 9.110 ( -0.000 0.000 51.447) 51.447 9.505 ( 0.000 -0.000 28.059) 28.059 9.505 ( 0.000 -0.000 28.059) 28.059 9.898 ( 0.000 0.000 -11.057) 11.057 9.898 ( 0.000 0.000 -11.057) 11.057 10.077 ( 0.000 0.000 -34.156) 34.156 10.528 ( -0.000 0.000 15.752) 15.752 10.910 ( 0.000 -0.000 -31.378) 31.378 11.345 ( 0.000 -0.000 16.891) 16.891 11.345 ( 0.000 -0.000 16.891) 16.891 11.428 ( 0.000 0.000 12.024) 12.024 11.428 ( 0.000 -0.000 12.024) 12.024 11.592 ( 0.000 0.000 32.380) 32.380 12.050 ( 0.000 -0.000 3.832) 3.832 12.050 ( 0.000 0.000 3.832) 3.832 12.171 ( -0.000 0.000 -23.906) 23.906 12.250 ( 0.000 0.000 -13.435) 13.435 12.250 ( 0.000 -0.000 -13.435) 13.435 13.241 ( 0.000 0.000 7.208) 7.208 13.241 ( 0.000 0.000 7.208) 7.208 13.434 ( 0.000 0.000 -12.688) 12.688 13.434 ( 0.000 -0.000 -12.688) 12.688 13.837 ( 0.000 0.000 16.707) 16.707 13.978 ( -0.000 0.000 -2.529) 2.529 14.627 ( 0.000 -0.000 16.342) 16.342 15.135 ( 0.000 -0.000 -30.893) 30.893 16.877 ( -0.000 0.000 15.151) 15.151 16.877 ( 0.000 0.000 15.151) 15.151 17.105 ( -0.000 0.000 28.114) 28.114 17.155 ( 0.000 0.000 -10.007) 10.007 17.155 ( 0.000 -0.000 -10.007) 10.007 17.647 ( 0.000 -0.000 -18.500) 18.500 18.452 ( -0.000 0.000 -0.728) 0.728 18.452 ( 0.000 0.000 -0.728) 0.728 18.521 ( 0.000 -0.000 -2.516) 2.516 18.698 ( -0.000 0.000 -22.256) 22.256 18.698 ( 0.000 0.000 -22.256) 22.256 18.748 ( -0.000 0.000 -18.053) 18.053 20.902 ( -0.000 0.000 10.518) 10.518 21.072 ( 0.000 0.000 -6.342) 6.342 25.456 ( 0.000 0.000 5.220) 5.220 25.456 ( 0.000 0.000 5.220) 5.220 25.552 ( 0.000 -0.000 -4.440) 4.440 25.552 ( 0.000 0.000 -4.440) 4.440 25.819 ( 0.000 -0.000 3.439) 3.439 25.891 ( -0.000 0.000 -4.011) 4.011 25.936 ( 0.000 0.000 4.228) 4.228 25.936 ( 0.000 0.000 4.228) 4.228 26.012 ( 0.000 0.000 -3.415) 3.415 26.012 ( 0.000 0.000 -3.415) 3.415 27.086 ( 0.000 0.000 4.269) 4.269 27.086 ( 0.000 0.000 4.269) 4.269 27.162 ( 0.000 0.000 -3.320) 3.320 27.162 ( 0.000 0.000 -3.320) 3.320 27.711 ( 0.000 0.000 5.342) 5.342 27.711 ( 0.000 0.000 5.342) 5.342 27.798 ( -0.000 0.000 -3.410) 3.410 27.798 ( 0.000 -0.000 -3.410) 3.410 28.126 ( -0.000 0.000 15.041) 15.041 28.266 ( 0.000 -0.000 0.641) 0.641 28.535 ( 0.000 0.000 14.735) 14.735 28.535 ( 0.000 0.000 14.735) 14.735 28.686 ( 0.000 -0.000 -0.073) 0.073 28.793 ( -0.000 0.000 -10.780) 10.780 28.793 ( 0.000 0.000 -10.780) 10.780 28.840 ( -0.000 0.000 -15.329) 15.329 30.211 ( 0.000 -0.000 4.688) 4.688 30.211 ( 0.000 0.000 4.688) 4.688 30.293 ( 0.000 -0.000 -3.337) 3.337 30.293 ( 0.000 -0.000 -3.337) 3.337 31.631 ( -0.000 0.000 24.563) 24.563 32.084 ( -0.000 0.000 -21.116) 21.116 ======================= Grid point 221 (46/56) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.650 ( 0.566 -3.355 53.176) 53.285 4.853 ( 5.401 5.881 47.328) 47.997 5.601 ( -8.676 -0.671 -38.762) 39.726 5.688 ( -2.073 0.770 -37.473) 37.539 6.577 ( 5.131 -8.802 13.079) 16.579 6.836 ( -5.085 11.120 -5.987) 13.614 6.937 ( 2.945 6.659 0.838) 7.329 7.130 ( 10.493 8.303 4.735) 14.194 7.192 ( 12.485 -10.028 -13.045) 20.654 7.420 ( 10.376 9.516 -18.189) 23.001 8.153 ( 18.021 3.366 24.162) 30.329 8.466 ( 4.654 7.265 -8.826) 12.343 9.094 ( -1.926 -3.796 44.190) 44.394 9.296 ( -12.546 -5.574 21.294) 25.336 9.408 ( -6.011 -4.952 27.265) 28.355 9.652 ( -19.093 -3.507 -0.589) 19.421 9.803 ( -9.912 -0.069 -12.329) 15.820 10.067 ( -1.774 -11.640 -14.070) 18.347 10.380 ( -7.607 -13.337 10.982) 18.877 10.784 ( -5.871 5.529 -34.070) 35.012 11.154 ( -9.455 -1.944 21.751) 23.796 11.295 ( -4.608 -3.854 13.218) 14.519 11.434 ( -2.484 6.049 15.279) 16.619 11.568 ( 2.313 2.306 11.455) 11.911 11.692 ( 2.465 -7.821 1.880) 8.413 11.836 ( -2.534 -1.153 -6.125) 6.727 12.074 ( -4.901 10.108 4.570) 12.128 12.123 ( 4.947 -1.062 8.727) 10.088 12.298 ( 9.658 -8.776 -7.013) 14.815 12.564 ( 4.411 3.640 -20.008) 20.809 12.949 ( -12.936 4.060 5.005) 14.453 13.167 ( -3.609 -8.832 -13.499) 16.530 13.371 ( 6.855 -9.570 6.521) 13.457 13.555 ( -4.620 6.697 -6.567) 10.456 14.000 ( 4.146 12.121 13.483) 18.598 14.151 ( 13.859 0.282 -4.770) 14.660 14.497 ( -8.344 -5.172 15.341) 18.213 15.003 ( -9.670 -4.522 -30.725) 32.527 16.380 ( -32.449 -10.955 27.216) 43.745 16.599 ( -16.548 -19.921 21.855) 33.887 16.857 ( -17.012 -5.450 -7.775) 19.483 17.063 ( -8.474 -11.318 -26.497) 30.033 17.311 ( 7.528 8.442 4.973) 12.356 17.637 ( 4.890 9.933 -14.546) 18.280 18.202 ( -5.067 -7.967 -9.434) 13.347 18.344 ( -1.515 -7.403 -19.035) 20.480 18.856 ( 26.984 15.335 2.733) 31.157 19.056 ( 21.406 13.674 -11.623) 27.934 19.131 ( 23.892 28.029 5.615) 37.256 19.444 ( 33.749 9.838 -19.242) 40.076 20.806 ( -7.238 -3.491 9.776) 12.655 20.965 ( -7.831 -5.282 -5.880) 11.126 25.475 ( 1.450 0.640 5.311) 5.542 25.502 ( 2.401 2.654 4.445) 5.707 25.576 ( 1.935 1.016 -4.185) 4.722 25.593 ( 3.475 0.855 -4.062) 5.413 25.853 ( 1.974 1.531 2.342) 3.424 25.894 ( 1.072 -0.925 -1.299) 1.921 25.944 ( 0.633 0.550 3.784) 3.876 25.993 ( 2.615 2.329 0.922) 3.621 26.026 ( 2.617 1.575 -1.503) 3.404 26.071 ( 5.128 2.871 -3.334) 6.757 27.074 ( -0.476 -1.144 3.874) 4.068 27.100 ( 0.612 0.635 4.161) 4.253 27.147 ( -1.445 0.566 -3.016) 3.392 27.179 ( 1.461 0.073 -3.296) 3.606 27.609 ( -5.117 -2.667 4.400) 7.256 27.675 ( -5.610 -3.801 -2.002) 7.066 27.774 ( 1.666 0.777 6.105) 6.376 27.867 ( 0.761 2.695 -2.656) 3.859 28.112 ( -0.459 -2.988 15.431) 15.725 28.275 ( 0.073 -0.792 2.784) 2.895 28.390 ( -7.669 -2.679 3.410) 8.810 28.460 ( -7.375 -4.174 0.098) 8.475 28.563 ( -7.221 -4.229 -0.424) 8.379 28.673 ( -3.563 -0.950 -1.684) 4.054 28.861 ( 2.939 3.739 -0.679) 4.804 29.015 ( 6.460 1.725 -12.586) 14.252 30.159 ( -0.558 -3.407 6.536) 7.392 30.246 ( 0.727 -2.599 0.664) 2.779 30.333 ( 5.835 3.443 -0.109) 6.776 30.404 ( 5.188 7.915 -4.365) 10.422 31.560 ( -5.475 -3.432 23.405) 24.281 31.991 ( -7.514 -3.891 -20.014) 21.729 ======================= Grid point 222 (47/56) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.727 ( 8.037 3.722 40.870) 41.819 5.064 ( 10.315 7.154 33.284) 35.573 5.443 ( -9.483 4.197 -28.593) 30.415 5.636 ( -2.499 -2.158 -20.161) 20.430 6.599 ( 6.462 -4.617 8.963) 11.975 6.868 ( -0.822 5.081 -13.749) 14.681 7.115 ( 2.487 8.303 4.288) 9.670 7.278 ( 7.652 -11.062 -12.896) 18.634 7.565 ( 16.428 20.771 9.679) 28.196 7.782 ( 19.249 1.407 -9.288) 21.419 8.301 ( -4.786 -4.056 17.937) 19.002 8.537 ( -0.151 -1.113 -2.641) 2.870 8.903 ( -4.865 -12.526 8.387) 15.840 9.029 ( -14.279 -1.956 -1.821) 14.527 9.221 ( -6.988 -0.747 24.088) 25.092 9.462 ( -10.627 9.176 20.266) 24.654 9.633 ( -0.676 -3.820 -0.580) 3.922 9.783 ( -7.756 -10.868 -5.259) 14.350 10.204 ( 6.665 -8.202 21.471) 23.931 10.774 ( -5.439 -2.005 -15.843) 16.870 10.958 ( -8.082 -6.790 12.651) 16.477 11.129 ( -9.668 1.337 2.698) 10.126 11.375 ( -4.630 1.834 -0.687) 5.027 11.472 ( -9.153 -6.172 -0.614) 11.056 11.725 ( 0.434 7.719 12.096) 14.356 11.792 ( 1.284 -6.463 15.434) 16.782 12.019 ( -7.963 6.534 18.486) 21.162 12.320 ( 7.074 3.954 -4.986) 9.515 12.397 ( 5.034 4.679 -2.052) 7.172 12.518 ( 4.934 -5.265 -14.780) 16.447 12.913 ( 1.604 -0.675 -2.764) 3.266 13.122 ( -1.669 -2.696 -8.694) 9.254 13.318 ( 0.521 -12.937 -0.601) 12.962 13.475 ( -6.156 -0.611 -1.466) 6.358 14.049 ( -7.823 -2.814 10.184) 13.146 14.167 ( -5.631 -2.533 2.560) 6.684 14.513 ( 4.927 8.780 -2.258) 10.318 14.793 ( -5.856 -3.968 -23.697) 24.730 15.693 ( -20.364 -17.032 24.441) 36.085 16.179 ( -16.173 -4.079 10.925) 19.939 16.339 ( -27.954 3.222 -14.228) 31.532 16.826 ( 1.977 -19.592 -29.941) 35.836 17.632 ( 14.137 3.795 8.669) 17.012 17.918 ( 5.956 18.221 -12.487) 22.878 18.190 ( 8.471 -1.448 -6.342) 10.680 18.343 ( 5.266 0.177 -16.509) 17.330 19.457 ( 12.141 17.833 2.385) 21.705 19.541 ( 17.739 2.460 -4.100) 18.372 19.801 ( 18.712 20.368 7.087) 28.552 20.069 ( 24.318 4.497 -16.245) 29.589 20.646 ( -4.088 -1.597 5.315) 6.893 20.738 ( -7.114 -5.930 -3.574) 9.927 25.508 ( 0.582 1.718 4.781) 5.113 25.565 ( 1.881 0.645 0.607) 2.079 25.642 ( 3.533 2.073 -0.777) 4.169 25.681 ( 4.754 0.884 -3.144) 5.767 25.879 ( -1.067 1.069 1.967) 2.480 25.900 ( 0.759 -1.854 -0.485) 2.061 25.976 ( 1.974 0.692 2.220) 3.051 26.022 ( 0.985 -0.001 -2.208) 2.418 26.192 ( 7.679 7.239 2.888) 10.941 26.255 ( 9.737 4.115 -3.162) 11.034 27.043 ( -1.496 -1.436 3.456) 4.030 27.089 ( -1.423 -1.648 -0.326) 2.202 27.145 ( 0.396 0.473 1.997) 2.090 27.211 ( 0.398 1.812 -3.598) 4.048 27.474 ( -4.946 -3.926 3.849) 7.396 27.524 ( -6.306 -2.571 -1.084) 6.895 27.777 ( -2.215 -0.132 8.981) 9.251 27.882 ( -1.985 2.344 0.950) 3.215 28.050 ( 0.809 -6.562 4.868) 8.210 28.134 ( -8.339 -6.666 1.680) 10.807 28.256 ( -6.973 -0.530 -0.977) 7.061 28.330 ( -2.800 0.419 -6.767) 7.335 28.490 ( -0.453 -0.315 9.510) 9.526 28.604 ( -1.750 1.495 -2.150) 3.149 28.908 ( -1.481 2.252 5.453) 6.083 29.099 ( 3.189 -2.001 -12.644) 13.193 30.119 ( 1.798 -6.269 7.941) 10.276 30.221 ( -0.743 -1.633 -1.064) 2.086 30.522 ( 8.533 6.366 4.171) 11.434 30.650 ( 10.535 10.095 -7.586) 16.445 31.370 ( -9.374 -5.888 20.326) 23.145 31.745 ( -12.701 -6.246 -17.514) 22.519 ======================= Grid point 223 (48/56) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.973 ( 7.536 10.384 25.784) 28.799 5.289 ( -7.072 -1.142 -4.231) 8.320 5.382 ( 12.392 4.960 13.218) 18.785 5.577 ( -4.419 0.679 -4.009) 6.006 6.739 ( 10.473 2.191 2.285) 10.941 6.916 ( 2.971 0.840 -13.287) 13.641 7.026 ( -8.161 -12.631 0.673) 15.053 7.154 ( -13.667 2.290 -12.763) 18.839 7.924 ( 4.762 2.965 16.931) 17.836 8.100 ( 15.720 -1.476 2.162) 15.937 8.252 ( 2.495 -0.361 14.935) 15.146 8.550 ( 2.525 3.894 -5.613) 7.283 8.743 ( -2.759 -5.241 12.977) 14.265 8.911 ( 3.089 -8.064 9.210) 12.625 9.086 ( -4.663 7.017 1.681) 8.591 9.277 ( -10.606 1.894 -11.085) 15.458 9.593 ( 1.237 -1.445 -0.853) 2.084 9.693 ( -3.168 -1.949 -8.208) 9.012 10.300 ( 1.513 -4.897 22.311) 22.892 10.554 ( -9.004 -4.570 -4.285) 10.969 10.826 ( -2.988 -2.880 15.760) 16.297 11.035 ( 5.763 7.037 5.251) 10.502 11.253 ( -7.189 1.632 1.470) 7.517 11.353 ( -2.320 -2.895 3.927) 5.403 11.688 ( -1.388 -5.498 26.015) 26.626 11.805 ( 0.104 4.509 17.353) 17.930 12.078 ( -2.328 9.818 27.565) 29.354 12.407 ( 1.810 2.860 10.761) 11.281 12.495 ( 10.533 -10.109 -5.126) 15.473 12.668 ( -0.492 3.039 -13.454) 13.801 12.894 ( -4.145 -4.717 -0.427) 6.294 13.002 ( 8.128 -5.300 -12.525) 15.844 13.193 ( -3.519 -4.760 -13.917) 15.124 13.353 ( -9.109 4.201 -16.925) 19.674 13.827 ( -4.271 -7.371 7.182) 11.143 14.077 ( -4.749 2.490 -6.919) 8.754 14.618 ( -1.231 7.537 -4.603) 8.917 14.693 ( -2.218 -4.270 -7.629) 9.020 15.364 ( 3.321 -17.268 15.970) 23.754 15.899 ( -10.720 3.211 -33.616) 35.430 16.069 ( -18.642 22.435 28.323) 40.658 16.721 ( 10.007 -21.705 -34.021) 41.578 17.792 ( 2.669 0.184 8.606) 9.012 18.135 ( 3.466 2.272 -23.619) 23.980 18.417 ( 8.591 9.237 2.434) 12.847 18.520 ( 5.198 5.344 -7.270) 10.413 19.598 ( -3.618 4.949 2.490) 6.617 19.653 ( -1.256 -5.958 -2.480) 6.575 20.205 ( 6.962 8.873 6.703) 13.120 20.411 ( 8.911 1.285 -10.627) 13.928 20.627 ( 1.449 0.666 1.325) 2.073 20.699 ( 3.876 -1.991 -4.427) 6.212 25.529 ( -0.551 2.158 4.031) 4.605 25.585 ( 1.110 -1.386 -1.337) 2.223 25.735 ( 3.639 1.520 1.181) 4.117 25.768 ( 2.986 0.350 -1.996) 3.609 25.853 ( -1.217 -0.407 1.580) 2.035 25.873 ( -1.409 -1.589 -0.574) 2.200 26.013 ( 1.145 0.303 0.791) 1.424 26.033 ( 0.277 -0.312 -0.963) 1.049 26.395 ( 4.878 5.296 3.248) 7.899 26.454 ( 6.220 1.907 -2.436) 6.947 26.991 ( -0.334 -3.780 3.376) 5.079 27.032 ( -3.620 0.502 -0.605) 3.705 27.136 ( 0.945 -3.793 3.324) 5.131 27.205 ( -4.250 4.580 -3.431) 7.128 27.400 ( -0.169 -0.692 2.255) 2.364 27.432 ( -1.415 -0.587 -0.854) 1.754 27.713 ( -3.102 0.254 8.842) 9.374 27.847 ( -1.026 -3.351 -0.903) 3.619 27.951 ( -2.692 -1.237 5.061) 5.865 28.069 ( 1.205 0.312 -3.080) 3.322 28.149 ( -3.337 -0.340 2.276) 4.053 28.254 ( -3.409 -1.233 -8.249) 9.011 28.511 ( 0.093 2.861 11.515) 11.865 28.642 ( 2.354 0.762 -1.964) 3.159 28.875 ( -4.348 3.714 8.686) 10.399 29.108 ( 2.532 -5.055 -14.259) 15.339 30.095 ( 3.207 -6.722 8.071) 10.982 30.195 ( -0.754 -0.171 -1.170) 1.403 30.764 ( 9.904 4.942 8.865) 14.181 30.965 ( 9.552 10.208 -10.094) 17.243 31.121 ( -9.640 -4.369 15.581) 18.836 31.427 ( -12.358 -6.993 -14.713) 20.448 ======================= Grid point 228 (49/56) ======================= q-point: ( 0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.669 ( 4.170 7.222 39.179) 40.056 4.995 ( 3.891 6.739 37.251) 38.055 5.609 ( 1.445 2.502 -22.275) 22.461 5.674 ( -2.085 -3.611 -40.679) 40.892 6.448 ( -1.155 -2.001 7.942) 8.271 6.919 ( -2.166 -3.752 0.824) 4.410 7.085 ( 2.774 4.805 -2.869) 6.246 7.185 ( 7.619 13.196 0.507) 15.246 7.490 ( 10.386 17.989 3.532) 21.070 7.639 ( 6.388 11.064 -16.445) 20.825 8.277 ( 5.430 9.405 14.474) 18.095 8.558 ( -2.542 -4.403 9.938) 11.163 8.918 ( -13.535 -23.443 19.597) 33.419 9.091 ( -8.670 -15.017 -0.659) 17.352 9.227 ( 1.278 2.213 24.175) 24.310 9.435 ( -7.782 -13.479 -8.602) 17.783 9.775 ( 5.322 9.218 30.264) 32.081 9.981 ( -1.623 -2.812 -10.122) 10.630 10.054 ( -6.907 -11.963 9.055) 16.516 10.873 ( -3.022 -5.234 -13.492) 14.784 11.109 ( -4.590 -7.951 20.922) 22.848 11.232 ( 3.108 5.384 0.386) 6.229 11.461 ( -3.748 -6.492 11.995) 14.144 11.498 ( -2.294 -3.973 -13.822) 14.563 11.533 ( -2.548 -4.414 4.094) 6.537 11.812 ( -1.192 -2.064 6.159) 6.604 12.026 ( 0.030 0.052 13.040) 13.040 12.234 ( 1.967 3.407 -1.619) 4.254 12.471 ( -5.069 -8.780 -11.082) 15.020 12.475 ( 8.629 14.946 1.804) 17.352 12.927 ( -2.193 -3.799 -9.926) 10.852 13.060 ( -7.471 -12.941 15.601) 21.603 13.196 ( 3.049 5.281 -15.952) 17.077 13.608 ( -3.832 -6.638 8.155) 11.192 14.111 ( -0.840 -1.455 -1.543) 2.280 14.198 ( -1.588 -2.751 4.840) 5.789 14.482 ( 5.561 9.631 8.824) 14.197 14.832 ( -5.967 -10.336 -31.899) 34.059 15.816 ( -17.898 -31.000 22.241) 42.142 16.289 ( -7.521 -13.027 3.917) 15.544 16.730 ( -6.506 -11.270 3.815) 13.561 16.769 ( -7.133 -12.354 -31.453) 34.537 17.370 ( 2.182 3.779 3.107) 5.357 17.828 ( 6.570 11.379 -17.006) 21.491 18.137 ( 1.624 2.813 -8.398) 9.004 18.433 ( 5.510 9.544 -7.675) 13.429 19.396 ( 17.135 29.679 -3.523) 34.451 19.436 ( 11.004 19.060 -6.563) 22.966 19.722 ( 14.212 24.616 10.717) 30.378 19.794 ( 10.589 18.340 -17.951) 27.762 20.691 ( -3.376 -5.847 7.245) 9.903 20.774 ( -6.325 -10.955 -4.111) 13.301 25.521 ( 1.778 3.079 5.484) 6.536 25.545 ( 0.798 1.382 1.661) 2.303 25.605 ( 0.427 0.740 -4.041) 4.130 25.651 ( 2.881 4.990 -0.882) 5.829 25.872 ( -0.783 -1.356 0.112) 1.570 25.903 ( 1.380 2.391 1.831) 3.312 25.963 ( 0.792 1.371 3.513) 3.853 26.010 ( 0.491 0.850 -2.142) 2.356 26.164 ( 5.308 9.193 1.702) 10.751 26.179 ( 4.304 7.456 -3.723) 9.380 27.045 ( -1.010 -1.749 2.913) 3.544 27.075 ( -1.935 -3.352 2.323) 4.514 27.170 ( 0.900 1.559 -0.428) 1.851 27.205 ( 1.406 2.436 -3.332) 4.360 27.483 ( -4.183 -7.245 2.242) 8.661 27.617 ( -1.858 -3.218 0.473) 3.745 27.768 ( -0.099 -0.172 4.686) 4.690 27.935 ( 1.367 2.368 -4.662) 5.405 27.986 ( -4.333 -7.505 14.126) 16.572 28.174 ( -5.673 -9.825 5.152) 12.460 28.330 ( -2.298 -3.980 -5.741) 7.353 28.363 ( 0.078 0.135 1.510) 1.518 28.520 ( -0.108 -0.188 0.924) 0.949 28.614 ( -2.226 -3.856 -0.944) 4.552 28.933 ( 1.010 1.750 1.429) 2.475 29.036 ( -0.304 -0.526 -10.237) 10.255 30.071 ( -1.669 -2.892 9.164) 9.753 30.244 ( 0.367 0.635 9.787) 9.815 30.468 ( 5.273 9.133 -7.765) 13.096 30.592 ( 5.584 9.672 -5.166) 12.305 31.425 ( -5.124 -8.876 20.849) 23.232 31.832 ( -6.219 -10.772 -18.397) 22.207 ======================= Grid point 229 (50/56) ======================= q-point: ( 0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.947 ( 8.879 15.986 20.920) 27.786 5.152 ( 10.189 1.031 15.856) 18.875 5.506 ( -11.146 0.938 -18.265) 21.418 5.749 ( 1.401 14.438 -3.775) 14.989 6.500 ( 7.368 -1.725 -3.807) 8.471 6.836 ( 1.640 -12.921 1.385) 13.098 7.149 ( -5.454 9.755 -1.163) 11.236 7.420 ( -5.429 4.994 2.576) 7.813 7.658 ( 15.095 -4.381 5.116) 16.530 7.831 ( 0.746 -4.387 -0.257) 4.458 8.221 ( -11.167 -15.268 16.550) 25.134 8.408 ( 1.014 -24.699 4.178) 25.070 8.659 ( 6.496 12.756 9.262) 17.050 8.791 ( 2.667 -6.281 -1.092) 6.911 9.330 ( -1.749 10.214 0.581) 10.379 9.443 ( 3.594 0.015 -2.895) 4.615 9.765 ( -14.748 11.698 3.696) 19.184 9.860 ( -8.059 2.485 -5.679) 10.168 10.176 ( 12.929 10.409 34.861) 38.611 10.713 ( 0.116 -3.843 -1.950) 4.312 10.866 ( -14.192 1.213 15.452) 21.016 11.112 ( -12.560 -1.454 8.699) 15.347 11.383 ( 2.769 -6.639 2.547) 7.631 11.415 ( -6.024 -3.853 6.224) 9.481 11.618 ( 1.202 5.503 -3.366) 6.562 11.838 ( 6.622 -7.526 7.535) 12.540 11.993 ( 4.338 -9.607 10.364) 14.782 12.207 ( -1.849 -3.767 16.129) 16.666 12.335 ( -0.853 -3.397 -16.496) 16.864 12.653 ( -1.244 -18.044 1.983) 18.195 12.858 ( 3.723 6.202 5.738) 9.233 12.950 ( 0.117 3.564 -4.711) 5.908 13.280 ( 0.588 5.454 -13.657) 14.717 13.404 ( -2.492 -7.305 15.192) 17.041 14.001 ( -9.556 1.006 -7.775) 12.361 14.127 ( -0.176 -4.209 2.283) 4.792 14.552 ( -9.984 -10.280 -16.508) 21.860 14.682 ( 2.737 -3.956 -18.461) 19.077 15.301 ( -8.263 -9.738 24.480) 27.611 16.122 ( 5.843 -16.875 -29.063) 34.111 16.403 ( -18.311 7.260 -15.529) 25.083 16.585 ( -9.877 3.528 3.867) 11.178 17.591 ( 16.653 -4.865 12.269) 21.249 18.117 ( 12.102 5.151 -16.621) 21.196 18.200 ( 0.097 7.012 -10.992) 13.039 18.625 ( 2.270 10.962 -8.475) 14.041 19.700 ( -2.182 13.760 -5.259) 14.892 19.875 ( -5.940 16.081 2.726) 17.359 20.089 ( 17.281 7.061 -2.203) 18.798 20.161 ( 15.029 3.244 -4.759) 16.095 20.606 ( -1.135 -1.063 3.176) 3.537 20.641 ( 1.192 -2.455 -0.231) 2.739 25.559 ( -0.181 1.552 1.512) 2.174 25.576 ( -0.025 1.554 1.522) 2.175 25.645 ( 4.309 -0.611 0.154) 4.354 25.754 ( 2.218 4.120 0.173) 4.683 25.831 ( -0.995 -2.704 0.349) 2.903 25.931 ( -0.755 2.028 1.911) 2.887 26.001 ( 1.230 1.422 1.646) 2.499 26.029 ( 0.265 0.486 -0.955) 1.104 26.366 ( 6.361 7.819 -0.985) 10.128 26.378 ( 6.477 8.145 0.317) 10.411 26.960 ( -3.437 -6.610 2.459) 7.845 26.997 ( -0.499 -6.793 2.203) 7.159 27.185 ( -2.586 3.170 0.017) 4.091 27.267 ( 2.087 1.799 -3.582) 4.519 27.371 ( -0.794 -1.911 1.301) 2.445 27.527 ( -5.410 -0.049 0.909) 5.486 27.751 ( -1.322 -2.099 4.585) 5.214 27.839 ( -3.723 -5.276 5.425) 8.434 27.959 ( -0.235 -4.619 -2.042) 5.056 28.012 ( 0.624 -0.095 3.138) 3.201 28.263 ( -2.988 0.275 -0.061) 3.001 28.331 ( -6.611 -0.078 -6.443) 9.232 28.519 ( 0.786 3.132 5.722) 6.571 28.602 ( 3.317 -1.680 -1.770) 4.118 28.925 ( -1.017 -1.604 3.518) 3.998 28.992 ( 0.381 -7.081 -9.222) 11.633 30.049 ( -0.202 0.811 12.496) 12.524 30.254 ( -1.209 2.825 10.970) 11.393 30.677 ( 5.771 8.838 -4.874) 11.626 30.839 ( 11.850 7.343 -8.105) 16.126 31.211 ( -7.246 -8.226 16.164) 19.531 31.551 ( -10.747 -11.815 -16.045) 22.639 ======================= Grid point 230 (51/56) ======================= q-point: ( 0.43 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.188 ( 0.470 -0.814 -3.861) 3.974 5.211 ( -0.056 0.096 10.059) 10.059 5.454 ( -6.990 12.106 3.397) 14.386 5.860 ( -10.368 17.958 5.810) 21.534 6.645 ( 6.260 -10.842 -0.789) 12.545 6.665 ( 5.458 -9.453 -0.844) 10.948 7.106 ( -4.514 7.819 -0.041) 9.029 7.329 ( -4.794 8.303 -11.826) 15.224 7.713 ( 10.833 -18.763 8.719) 23.355 7.816 ( 9.620 -16.662 6.932) 20.451 8.086 ( 5.236 -9.070 13.655) 17.208 8.384 ( 8.534 -14.781 16.767) 23.926 8.644 ( 3.603 -6.240 -2.767) 7.719 8.879 ( -1.851 3.205 16.711) 17.116 9.399 ( -4.488 7.773 -1.311) 9.071 9.548 ( -11.595 20.083 -7.241) 24.294 9.647 ( -6.521 11.294 -6.216) 14.447 9.777 ( -5.277 9.140 -9.252) 14.035 10.406 ( -6.145 10.644 17.795) 21.627 10.616 ( -6.036 10.454 -1.097) 12.121 10.760 ( 1.236 -2.140 6.506) 6.960 11.134 ( 2.261 -3.917 -8.867) 9.953 11.255 ( 1.235 -2.139 30.292) 30.392 11.358 ( -4.833 8.371 -1.520) 9.785 11.615 ( -0.238 0.413 25.636) 25.640 11.798 ( 2.771 -4.800 20.836) 21.561 12.040 ( 11.528 -19.967 4.718) 23.533 12.151 ( 3.458 -5.989 25.813) 26.723 12.302 ( 5.000 -8.661 21.271) 23.504 12.451 ( 10.093 -17.481 -30.733) 36.769 12.978 ( -2.723 4.717 -1.080) 5.553 12.999 ( -2.464 4.268 -9.870) 11.032 13.239 ( 0.560 -0.970 24.692) 24.717 13.608 ( -8.405 14.558 -34.810) 38.657 13.734 ( -1.149 1.990 -14.244) 14.428 14.139 ( -1.736 3.007 -2.764) 4.438 14.289 ( 9.238 -16.001 -8.157) 20.197 14.675 ( 4.269 -7.393 -18.913) 20.750 15.232 ( -0.463 0.802 29.063) 29.078 16.082 ( 6.815 -11.803 -42.376) 44.514 16.296 ( -4.452 7.711 -24.363) 25.939 16.501 ( -9.319 16.141 19.284) 26.819 17.730 ( 5.479 -9.490 16.169) 19.533 18.196 ( -2.052 3.555 -19.561) 19.987 18.350 ( 1.657 -2.870 -7.751) 8.430 18.700 ( -0.672 1.165 -12.906) 12.976 19.744 ( -8.073 13.982 -3.559) 16.533 19.787 ( -6.386 11.060 3.683) 13.292 20.318 ( -1.282 2.220 6.244) 6.750 20.372 ( 3.230 -5.595 -12.462) 14.038 20.594 ( 3.289 -5.697 -2.186) 6.932 20.652 ( 0.086 -0.148 5.942) 5.945 25.565 ( 0.019 -0.032 -1.226) 1.226 25.581 ( -1.022 1.769 3.057) 3.677 25.703 ( 2.269 -3.931 1.783) 4.876 25.775 ( -0.358 0.619 0.231) 0.751 25.820 ( -0.204 0.353 0.662) 0.777 25.931 ( -1.766 3.059 1.373) 3.790 26.025 ( -0.308 0.533 0.370) 0.719 26.028 ( 0.104 -0.180 0.387) 0.439 26.496 ( -1.178 2.040 -2.063) 3.131 26.505 ( -2.841 4.922 2.385) 6.163 26.864 ( 3.538 -6.128 2.558) 7.524 26.931 ( 4.349 -7.532 2.463) 9.039 27.170 ( -2.682 4.645 -0.479) 5.385 27.291 ( -0.867 1.501 -3.770) 4.149 27.401 ( 0.779 -1.350 -1.037) 1.872 27.447 ( -2.420 4.192 2.374) 5.391 27.737 ( 3.230 -5.595 -1.086) 6.551 27.740 ( -1.494 2.587 7.673) 8.235 27.921 ( 1.338 -2.317 7.263) 7.740 28.109 ( -0.981 1.699 -1.450) 2.440 28.167 ( -1.537 2.662 -8.261) 8.815 28.257 ( -1.165 2.018 -3.249) 3.998 28.581 ( -1.969 3.410 13.739) 14.292 28.616 ( 1.848 -3.201 -6.419) 7.407 28.912 ( 0.733 -1.270 5.810) 5.992 28.935 ( 4.928 -8.535 -11.925) 15.471 30.055 ( -1.662 2.879 13.241) 13.652 30.259 ( -1.945 3.370 10.735) 11.418 30.815 ( -0.871 1.509 -1.119) 2.071 31.033 ( 0.478 -0.827 13.019) 13.054 31.141 ( -0.225 0.390 -10.715) 10.724 31.260 ( 3.063 -5.305 -13.941) 15.227 ======================= Grid point 237 (52/56) ======================= q-point: ( 0.29 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.155 ( 0.995 1.723 2.030) 2.843 5.188 ( 0.426 0.738 -3.610) 3.709 5.712 ( 11.663 20.201 -0.307) 23.329 6.122 ( 9.711 16.821 6.891) 20.609 6.425 ( -5.683 -9.843 -9.271) 14.668 6.571 ( -6.479 -11.222 10.851) 16.901 7.224 ( -1.503 -2.603 5.529) 6.293 7.335 ( -4.158 -7.202 8.381) 11.807 7.429 ( -8.072 -13.980 1.209) 16.188 7.759 ( 0.903 1.564 -6.617) 6.859 7.976 ( -0.688 -1.191 3.736) 3.981 8.137 ( -1.393 -2.413 13.000) 13.295 8.633 ( -1.181 -2.046 9.946) 10.222 8.813 ( -4.216 -7.302 21.902) 23.469 9.483 ( 1.643 2.845 -1.853) 3.772 9.728 ( 11.878 20.573 -7.151) 24.809 9.902 ( 1.628 2.820 -15.382) 15.723 9.927 ( 0.776 1.344 -6.072) 6.267 10.526 ( 9.759 16.904 20.300) 28.161 10.725 ( 3.972 6.879 -1.846) 8.155 10.922 ( -1.372 -2.377 21.029) 21.207 11.097 ( -3.396 -5.882 7.217) 9.910 11.146 ( -2.660 -4.607 1.764) 5.605 11.402 ( -6.080 -10.530 -8.634) 14.913 11.566 ( 6.901 11.952 23.130) 26.934 11.828 ( -0.502 -0.869 1.145) 1.523 11.869 ( -2.060 -3.568 23.226) 23.589 12.005 ( -3.750 -6.494 15.836) 17.522 12.151 ( -12.256 -21.228 34.079) 41.979 12.216 ( -5.099 -8.832 -28.057) 29.853 13.010 ( 2.708 4.690 0.853) 5.482 13.029 ( 0.208 0.361 4.572) 4.591 13.219 ( -3.263 -5.652 33.062) 33.700 13.608 ( 13.720 23.764 -27.931) 39.155 14.005 ( -4.270 -7.396 -10.207) 13.308 14.082 ( 3.318 5.747 -12.818) 14.434 14.366 ( -7.244 -12.547 -35.126) 37.996 14.394 ( -7.541 -13.061 -16.036) 22.014 15.245 ( 0.201 0.348 38.822) 38.824 15.812 ( -4.419 -7.653 -52.115) 52.859 16.568 ( 4.292 7.435 -6.232) 10.608 16.699 ( 0.946 1.639 -3.950) 4.380 17.525 ( -0.562 -0.973 27.258) 27.281 18.281 ( 4.257 7.373 -14.286) 16.630 18.294 ( 1.403 2.430 -12.072) 12.394 18.686 ( -1.768 -3.062 -18.389) 18.726 19.936 ( 1.718 2.976 8.388) 9.065 20.085 ( 2.704 4.684 -15.898) 16.792 20.147 ( 3.898 6.751 0.404) 7.806 20.314 ( 2.535 4.391 -0.471) 5.092 20.553 ( -0.907 -1.571 0.243) 1.830 20.632 ( -0.597 -1.034 7.012) 7.113 25.581 ( 0.386 0.669 0.846) 1.146 25.590 ( 0.078 0.134 0.355) 0.387 25.641 ( -0.245 -0.424 1.390) 1.474 25.803 ( 0.188 0.326 1.244) 1.300 25.816 ( 0.635 1.100 1.363) 1.863 25.968 ( 0.783 1.357 2.067) 2.594 26.023 ( 0.329 0.569 1.009) 1.205 26.033 ( -0.129 -0.223 0.110) 0.280 26.525 ( 4.019 6.961 -2.148) 8.320 26.573 ( 5.187 8.984 2.313) 10.629 26.793 ( -4.464 -7.732 1.823) 9.112 26.823 ( -4.899 -8.486 2.658) 10.153 27.253 ( 0.987 1.710 -1.175) 2.298 27.274 ( 0.514 0.891 -2.253) 2.477 27.375 ( -0.211 -0.365 -1.470) 1.529 27.532 ( 1.006 1.742 2.022) 2.852 27.651 ( -3.049 -5.280 -0.394) 6.110 27.798 ( 0.243 0.420 6.679) 6.696 27.868 ( -1.828 -3.167 7.315) 8.178 28.106 ( 4.572 7.920 -6.146) 11.018 28.254 ( -0.673 -1.165 -1.161) 1.777 28.291 ( -2.859 -4.952 -6.227) 8.454 28.532 ( -0.909 -1.575 -11.839) 11.978 28.628 ( 2.434 4.216 15.771) 16.505 28.855 ( -2.039 -3.532 -0.660) 4.131 28.864 ( -2.244 -3.886 -4.172) 6.127 30.132 ( 3.071 5.320 17.174) 18.239 30.267 ( -1.216 -2.107 18.109) 18.272 30.905 ( 5.907 10.231 -12.505) 17.202 30.968 ( 3.736 6.471 -2.454) 7.865 31.063 ( -2.464 -4.268 6.970) 8.536 31.261 ( -8.567 -14.839 -14.108) 22.195 ======================= Grid point 241 (53/56) ======================= q-point: (-0.14 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.722 ( -2.635 4.563 52.183) 52.448 4.953 ( -4.557 7.894 32.831) 34.073 5.397 ( 4.437 -7.686 -32.886) 34.062 5.684 ( -1.025 1.775 -20.800) 20.901 6.575 ( 4.760 -8.244 -0.401) 9.528 6.908 ( -5.124 8.874 2.311) 10.505 7.062 ( -5.943 10.294 -6.786) 13.687 7.141 ( -4.877 8.447 7.967) 12.594 7.571 ( -6.779 11.742 -10.572) 17.193 7.693 ( -10.635 18.421 -14.516) 25.752 8.443 ( -2.870 4.971 15.201) 16.249 8.459 ( -0.347 0.602 -2.002) 2.120 8.980 ( 14.248 -24.678 10.748) 30.455 9.058 ( 7.382 -12.786 18.410) 23.599 9.270 ( 3.015 -5.222 8.140) 10.131 9.315 ( 5.770 -9.994 3.487) 12.056 9.554 ( -1.239 2.146 27.012) 27.125 10.122 ( 2.300 -3.983 -9.602) 10.647 10.386 ( -1.130 1.958 21.082) 21.203 10.707 ( -0.852 1.476 -33.371) 33.415 11.061 ( 2.638 -4.568 15.007) 15.907 11.244 ( 2.409 -4.172 19.388) 19.977 11.294 ( 1.381 -2.391 1.595) 3.189 11.438 ( 3.529 -6.112 1.399) 7.195 11.722 ( 4.260 -7.378 16.236) 18.336 11.793 ( 5.275 -9.137 -8.755) 13.710 11.971 ( 9.104 -15.769 15.060) 23.630 12.067 ( -6.736 11.667 0.061) 13.472 12.425 ( 1.705 -2.952 5.281) 6.286 12.715 ( -2.814 4.873 -19.565) 20.359 12.843 ( -4.376 7.580 0.081) 8.753 13.186 ( 0.082 -0.143 -13.407) 13.408 13.313 ( 3.456 -5.986 -3.377) 7.693 13.650 ( -3.645 6.314 -5.933) 9.399 13.969 ( -0.101 0.176 18.367) 18.368 14.323 ( 5.850 -10.133 12.250) 16.940 14.366 ( -2.200 3.810 -11.519) 12.331 14.831 ( 4.256 -7.372 -22.326) 23.893 15.786 ( 17.556 -30.408 37.454) 51.339 16.113 ( 15.299 -26.499 -4.996) 31.003 16.798 ( 4.551 -7.883 -12.252) 15.263 16.870 ( 4.775 -8.271 -23.230) 25.116 17.443 ( -6.595 11.423 15.585) 20.417 17.661 ( -3.994 6.918 -16.089) 17.963 18.235 ( -1.603 2.777 -20.748) 20.995 18.460 ( -3.412 5.910 -6.437) 9.381 19.367 ( -11.704 20.272 5.760) 24.107 19.370 ( -13.332 23.092 -1.898) 26.732 19.537 ( -14.811 25.653 0.144) 29.622 20.011 ( -13.281 23.003 -15.963) 30.990 20.664 ( 3.501 -6.063 6.429) 9.505 20.812 ( 5.286 -9.155 -4.548) 11.508 25.509 ( -0.727 1.259 4.940) 5.149 25.523 ( -1.123 1.946 3.055) 3.792 25.628 ( -1.878 3.252 -4.638) 5.968 25.676 ( -2.725 4.720 -2.575) 6.028 25.859 ( 0.510 -0.883 1.663) 1.951 25.936 ( -0.991 1.716 -1.408) 2.431 25.969 ( -1.278 2.214 1.864) 3.163 26.023 ( -0.736 1.274 -2.124) 2.584 26.102 ( -3.826 6.628 3.330) 8.346 26.208 ( -5.344 9.255 -2.573) 10.993 27.053 ( 1.405 -2.434 3.529) 4.511 27.095 ( 1.069 -1.852 -1.103) 2.406 27.142 ( -1.127 1.951 1.890) 2.941 27.202 ( -0.484 0.838 -2.602) 2.776 27.483 ( 4.103 -7.107 2.203) 8.497 27.626 ( 1.828 -3.165 -0.559) 3.698 27.740 ( 1.483 -2.568 9.292) 9.754 27.851 ( 0.944 -1.634 2.848) 3.417 28.136 ( -0.374 0.648 7.557) 7.594 28.214 ( 5.670 -9.821 -2.141) 11.540 28.266 ( 2.658 -4.605 0.362) 5.329 28.331 ( 1.678 -2.907 -3.152) 4.605 28.504 ( 0.336 -0.582 9.037) 9.062 28.568 ( 3.461 -5.995 -2.745) 7.447 28.879 ( 0.088 -0.153 5.025) 5.028 29.105 ( -1.553 2.689 -12.949) 13.316 30.197 ( -1.382 2.393 0.596) 2.827 30.353 ( -2.845 4.927 -0.152) 5.692 30.386 ( -1.941 3.362 -1.865) 4.307 30.494 ( -5.072 8.785 1.814) 10.305 31.436 ( 4.948 -8.570 21.663) 23.816 31.812 ( 6.778 -11.741 -18.076) 22.595 ======================= Grid point 249 (54/56) ======================= q-point: (-0.29 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.859 ( -5.229 6.750 36.657) 37.639 5.142 ( -8.285 0.777 12.832) 15.294 5.357 ( -2.234 4.245 -12.223) 13.130 5.742 ( 4.055 12.188 0.162) 12.846 6.477 ( -8.500 -12.250 1.308) 14.968 6.953 ( -0.702 -7.444 -8.157) 11.065 7.147 ( 7.260 17.300 -4.318) 19.252 7.494 ( 12.049 3.593 -0.609) 12.588 7.634 ( -11.664 1.692 -1.798) 11.923 7.962 ( -10.032 -8.328 -2.282) 13.236 8.227 ( 7.994 -8.348 9.694) 15.085 8.424 ( 1.277 -27.001 1.466) 27.070 8.724 ( -3.543 14.223 2.200) 14.822 8.876 ( -10.837 3.771 0.250) 11.477 9.210 ( 5.666 8.057 9.223) 13.493 9.343 ( -1.305 1.528 3.000) 3.611 9.652 ( 1.923 2.218 10.973) 11.359 9.945 ( 13.949 3.252 -11.304) 18.246 10.434 ( 5.374 9.806 13.952) 17.880 10.773 ( -4.755 -4.684 0.259) 6.679 10.944 ( 9.098 1.952 20.221) 22.259 10.991 ( 18.496 4.972 2.085) 19.266 11.272 ( 4.623 -5.544 5.000) 8.780 11.392 ( 5.349 -1.115 11.779) 12.984 11.530 ( -15.971 -5.146 -0.829) 16.800 11.696 ( -0.658 -9.162 29.235) 30.645 11.877 ( -18.406 -21.430 11.553) 30.521 12.119 ( 6.381 1.282 -0.605) 6.537 12.385 ( -7.046 -8.404 8.597) 13.935 12.794 ( -2.725 6.253 -18.816) 20.014 12.999 ( 1.635 7.020 -7.373) 10.311 13.109 ( 9.410 -2.332 -3.418) 10.280 13.250 ( -0.585 1.077 -11.213) 11.279 13.665 ( 14.300 13.157 -9.792) 21.760 13.969 ( 1.810 -2.446 1.578) 3.428 14.070 ( 9.049 -4.863 5.679) 11.738 14.331 ( -3.694 -16.110 -13.809) 21.538 14.664 ( 3.530 -10.951 -6.871) 13.401 15.306 ( -5.650 -31.181 36.469) 48.313 15.814 ( 0.968 -2.144 -15.887) 16.060 16.343 ( 32.635 14.601 -14.186) 38.464 16.918 ( -5.529 -6.052 -22.700) 24.134 17.753 ( -9.829 6.527 12.453) 17.155 17.903 ( -18.330 3.957 -7.384) 20.154 18.259 ( 3.970 5.141 -20.081) 21.105 18.555 ( -1.387 0.012 -0.633) 1.525 19.587 ( 0.903 11.685 6.788) 13.544 19.869 ( -8.420 9.354 3.676) 13.111 19.988 ( -7.263 15.899 -2.918) 17.721 20.307 ( -10.823 2.498 -9.381) 14.539 20.637 ( 3.422 -3.981 -1.740) 5.531 20.702 ( -4.247 6.106 -5.118) 9.029 25.518 ( 0.667 1.474 3.627) 3.971 25.580 ( -2.918 -0.043 1.528) 3.294 25.693 ( -1.795 2.115 -3.372) 4.366 25.775 ( -2.202 4.244 -1.735) 5.086 25.826 ( 0.580 -2.133 1.188) 2.509 25.954 ( 1.404 2.486 -0.794) 2.963 26.014 ( -0.683 2.053 0.345) 2.191 26.042 ( -0.041 0.887 -2.101) 2.281 26.294 ( -7.714 6.582 4.373) 11.043 26.421 ( -6.171 8.715 -2.246) 10.912 26.971 ( 2.164 -6.511 1.599) 7.045 27.031 ( 1.686 -5.438 -1.222) 5.823 27.178 ( 1.071 1.032 1.765) 2.308 27.203 ( 0.811 1.229 1.366) 2.009 27.372 ( 0.082 -3.465 1.031) 3.616 27.529 ( 6.095 1.468 0.995) 6.348 27.692 ( 0.415 -4.868 9.232) 10.445 27.836 ( -2.546 -0.502 3.931) 4.710 27.995 ( 5.913 -6.046 -4.144) 9.418 28.129 ( 4.758 -1.338 -2.898) 5.729 28.170 ( 2.173 0.538 5.041) 5.515 28.273 ( 1.588 -3.739 -0.984) 4.180 28.458 ( 0.369 -3.791 6.404) 7.451 28.578 ( -5.515 1.656 3.839) 6.920 28.833 ( 2.471 -4.002 6.578) 8.087 29.130 ( -0.802 -1.110 -14.246) 14.311 30.251 ( 1.721 7.737 -3.596) 8.704 30.340 ( 8.393 10.735 -1.328) 13.691 30.605 ( -13.329 2.725 7.658) 15.612 30.730 ( -12.433 3.454 -3.599) 13.397 31.208 ( 8.679 -9.966 18.679) 22.881 31.526 ( 9.495 -11.808 -15.224) 21.479 ======================= Grid point 255 (55/56) ======================= q-point: (-0.43 0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.972 ( 0.192 0.333 19.511) 19.515 5.204 ( -3.349 -5.800 7.607) 10.135 5.472 ( 4.625 8.011 3.810) 10.004 5.749 ( 7.862 13.618 10.951) 19.162 6.657 ( -10.880 -18.844 0.046) 21.760 6.757 ( -3.026 -5.241 -4.782) 7.713 7.169 ( 5.093 8.821 -7.217) 12.484 7.235 ( 9.854 17.067 -3.080) 19.947 7.817 ( -12.129 -21.008 -2.267) 24.363 7.828 ( -7.824 -13.552 5.169) 16.480 8.287 ( -8.006 -13.867 -4.552) 16.647 8.318 ( -3.099 -5.367 9.530) 11.368 8.834 ( 3.558 6.163 0.278) 7.122 9.106 ( 1.578 2.733 12.310) 12.709 9.271 ( 10.907 18.891 4.327) 22.238 9.336 ( 5.163 8.943 -9.997) 14.373 9.654 ( 3.604 6.242 -8.878) 11.436 9.710 ( 2.476 4.289 1.474) 5.167 10.516 ( 9.539 16.522 9.404) 21.269 10.563 ( 3.349 5.801 0.637) 6.728 10.777 ( 0.514 0.890 22.514) 22.537 10.902 ( -5.071 -8.784 -5.434) 11.507 11.228 ( 0.377 0.652 15.594) 15.612 11.519 ( 4.027 6.974 9.131) 12.175 11.587 ( -5.266 -9.121 32.637) 34.294 11.695 ( -5.990 -10.375 9.535) 15.311 11.931 ( -8.516 -14.751 20.253) 26.463 12.174 ( -3.526 -6.108 8.010) 10.672 12.340 ( -7.586 -13.139 7.589) 16.964 12.896 ( 1.153 1.997 -25.077) 25.183 12.963 ( 4.103 7.106 3.726) 9.012 13.030 ( 1.255 2.173 -18.698) 18.866 13.180 ( 4.253 7.367 -2.717) 8.930 13.548 ( 11.514 19.942 -20.114) 30.575 13.900 ( 1.714 2.969 17.943) 18.267 13.971 ( -2.698 -4.674 -24.395) 24.985 14.283 ( -10.671 -18.482 -8.128) 22.837 14.574 ( -6.099 -10.564 -7.260) 14.195 15.217 ( -19.355 -33.523 39.642) 55.407 15.904 ( 5.028 8.708 -37.719) 39.037 16.029 ( 16.081 27.853 4.442) 32.467 16.935 ( -0.674 -1.168 -24.640) 24.677 17.874 ( 3.677 6.369 12.197) 14.243 18.174 ( -0.969 -1.678 -21.870) 21.955 18.305 ( -3.590 -6.217 -7.963) 10.721 18.470 ( -4.283 -7.419 9.319) 12.658 19.641 ( 3.651 6.324 6.937) 10.071 19.883 ( 10.730 18.585 -5.418) 22.134 20.191 ( -1.739 -3.013 4.167) 5.428 20.445 ( -1.929 -3.342 -2.061) 4.375 20.617 ( -0.273 -0.473 -8.138) 8.156 20.779 ( 0.685 1.187 -6.374) 6.520 25.520 ( 0.590 1.022 3.089) 3.307 25.610 ( 0.032 0.055 0.033) 0.071 25.727 ( -2.576 -4.462 -0.292) 5.160 25.790 ( 1.360 2.356 -1.022) 2.906 25.840 ( 0.617 1.068 -1.352) 1.830 25.947 ( 2.374 4.112 -0.538) 4.778 26.034 ( 0.498 0.862 -0.429) 1.084 26.043 ( 0.352 0.610 -1.202) 1.393 26.431 ( 0.957 1.658 4.236) 4.648 26.549 ( 2.549 4.415 -1.812) 5.411 26.892 ( -3.829 -6.633 -0.167) 7.661 26.957 ( -3.674 -6.363 0.126) 7.348 27.152 ( 1.427 2.472 0.986) 3.020 27.209 ( 1.049 1.816 4.312) 4.795 27.376 ( -0.761 -1.318 1.197) 1.937 27.475 ( 2.060 3.568 -0.170) 4.123 27.653 ( -1.672 -2.897 6.681) 7.471 27.866 ( 0.709 1.228 -0.434) 1.484 27.958 ( 1.351 2.339 6.654) 7.182 27.993 ( -1.493 -2.587 0.066) 2.988 28.189 ( -1.790 -3.100 -8.900) 9.593 28.212 ( 1.457 2.524 2.383) 3.765 28.446 ( -2.698 -4.673 10.566) 11.864 28.696 ( 1.242 2.151 1.667) 2.992 28.733 ( -2.768 -4.795 8.782) 10.382 29.129 ( -1.309 -2.267 -15.198) 15.422 30.290 ( 5.186 8.982 -10.273) 14.598 30.304 ( 7.184 12.444 5.486) 15.381 30.863 ( -0.162 -0.281 14.034) 14.038 30.899 ( -4.817 -8.343 -5.404) 11.046 30.978 ( -3.160 -5.474 11.330) 12.974 31.317 ( -1.280 -2.217 -12.833) 13.086 ======================= Grid point 257 (56/56) ======================= q-point: (-0.29 0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.995 ( -3.225 5.586 17.711) 18.849 5.118 ( 1.503 -2.604 4.613) 5.506 5.589 ( -8.201 14.205 9.160) 18.787 6.094 ( -7.860 13.614 9.890) 18.572 6.198 ( 4.929 -8.537 11.109) 14.852 6.741 ( 7.724 -13.378 -4.109) 15.984 7.341 ( -0.691 1.196 -8.621) 8.731 7.433 ( 6.617 -11.462 2.298) 13.433 7.550 ( 8.354 -14.470 -9.169) 19.059 7.665 ( -3.614 6.260 1.427) 7.367 8.073 ( -0.756 1.310 -4.817) 5.048 8.223 ( 1.854 -3.211 0.876) 3.809 8.911 ( -4.896 8.480 -6.547) 11.779 9.081 ( 1.153 -1.997 5.095) 5.593 9.450 ( -3.737 6.472 -0.704) 7.506 9.535 ( -11.372 19.698 -0.777) 22.758 9.644 ( 1.465 -2.537 5.314) 6.068 9.898 ( 2.291 -3.967 -3.172) 5.572 10.599 ( -4.974 8.616 11.856) 15.477 10.691 ( -1.585 2.746 1.664) 3.581 10.967 ( 2.614 -4.527 25.131) 25.669 11.048 ( 5.133 -8.890 6.401) 12.098 11.171 ( 5.763 -9.982 10.334) 15.481 11.264 ( 5.212 -9.027 -9.707) 14.244 11.378 ( 0.513 -0.888 31.796) 31.812 11.663 ( -1.808 3.132 16.969) 17.350 11.675 ( -2.732 4.732 21.845) 22.518 12.145 ( -0.360 0.623 18.683) 18.697 12.222 ( 0.961 -1.665 -4.441) 4.839 12.873 ( -1.282 2.221 -39.034) 39.118 13.068 ( -1.105 1.913 -6.934) 7.277 13.112 ( -1.117 1.934 -2.449) 3.315 13.362 ( -2.867 4.965 12.160) 13.444 13.839 ( 0.656 -1.137 -22.513) 22.551 13.855 ( 6.125 -10.610 -3.076) 12.631 13.921 ( 7.989 -13.837 -16.926) 23.276 14.087 ( -5.568 9.644 -8.266) 13.868 14.420 ( 6.448 -11.168 -13.819) 18.902 14.725 ( 8.377 -14.510 54.410) 56.932 16.013 ( -6.622 11.469 -35.864) 38.231 16.562 ( -0.136 0.236 -8.457) 8.462 16.740 ( 1.800 -3.118 -8.445) 9.181 17.994 ( -7.435 12.878 17.100) 22.661 18.051 ( -5.868 10.164 -14.226) 18.442 18.261 ( 3.073 -5.323 -18.195) 19.205 18.382 ( 7.529 -13.040 8.613) 17.347 19.764 ( -1.948 3.373 13.945) 14.479 20.077 ( -6.827 11.824 -2.529) 13.886 20.264 ( -0.692 1.198 -12.930) 13.004 20.300 ( 0.367 -0.636 1.874) 2.012 20.610 ( -3.140 5.439 -5.098) 8.089 20.775 ( 1.077 -1.865 -7.519) 7.821 25.567 ( -1.181 2.045 2.132) 3.181 25.578 ( -0.491 0.851 1.119) 1.489 25.666 ( 2.097 -3.631 -0.372) 4.210 25.831 ( -0.987 1.710 -1.446) 2.448 25.846 ( -0.953 1.650 -1.583) 2.477 25.996 ( -0.864 1.497 -0.921) 1.958 26.046 ( -0.369 0.638 -1.258) 1.458 26.051 ( 0.061 -0.106 -1.700) 1.704 26.453 ( -4.004 6.935 5.001) 9.441 26.613 ( -5.134 8.892 -1.652) 10.400 26.806 ( 4.126 -7.146 0.596) 8.273 26.862 ( 5.148 -8.916 -1.289) 10.375 27.208 ( -0.470 0.814 3.965) 4.075 27.211 ( -0.042 0.074 2.864) 2.865 27.350 ( -0.075 0.130 0.890) 0.903 27.546 ( -0.224 0.389 0.896) 1.002 27.602 ( 1.668 -2.888 4.724) 5.783 27.903 ( -3.113 5.391 6.129) 8.736 27.917 ( 0.457 -0.792 -3.633) 3.746 28.058 ( 2.230 -3.862 0.717) 4.517 28.171 ( 1.414 -2.449 1.553) 3.227 28.180 ( 1.949 -3.375 3.240) 5.068 28.382 ( 0.941 -1.630 3.951) 4.377 28.660 ( -2.761 4.782 7.128) 9.016 28.755 ( 2.056 -3.562 7.086) 8.193 29.085 ( 1.134 -1.964 -17.787) 17.931 30.438 ( -4.863 8.423 -12.385) 15.747 30.560 ( -1.421 2.461 -8.308) 8.781 30.655 ( -4.508 7.809 11.411) 14.543 30.801 ( -1.700 2.944 6.105) 6.988 30.960 ( 7.297 -12.638 16.454) 21.993 31.302 ( 4.243 -7.348 -12.252) 14.903 =================== 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 3/37044 10.0 6268.494 6268.494 1434.395 0.000 0.000 -0.000 3/37044 20.0 9176.740 9176.740 6000.495 -0.000 0.000 -0.000 3/37044 30.0 4587.986 4587.986 4977.910 -0.000 0.000 -0.000 3/37044 40.0 2624.402 2624.402 3350.092 -0.000 0.000 -0.000 3/37044 50.0 1589.834 1589.834 2218.293 -0.000 0.000 -0.000 3/37044 60.0 1036.548 1036.548 1534.974 -0.000 0.000 -0.000 3/37044 70.0 725.648 725.648 1120.505 -0.000 0.000 -0.000 3/37044 80.0 538.665 538.665 857.707 -0.000 0.000 -0.000 3/37044 90.0 418.856 418.856 682.697 -0.000 0.000 -0.000 3/37044 100.0 337.802 337.802 560.793 -0.000 0.000 -0.000 3/37044 110.0 280.392 280.392 472.450 -0.000 0.000 -0.000 3/37044 120.0 238.125 238.125 406.173 -0.000 0.000 -0.000 3/37044 130.0 205.973 205.973 354.936 -0.000 0.000 -0.000 3/37044 140.0 180.834 180.834 314.296 -0.000 0.000 -0.000 3/37044 150.0 160.716 160.716 281.352 -0.000 0.000 -0.000 3/37044 160.0 144.297 144.297 254.152 -0.000 0.000 -0.000 3/37044 170.0 130.673 130.673 231.346 -0.000 0.000 -0.000 3/37044 180.0 119.208 119.208 211.973 -0.000 0.000 -0.000 3/37044 190.0 109.441 109.441 195.333 -0.000 0.000 -0.000 3/37044 200.0 101.034 101.034 180.905 -0.000 0.000 -0.000 3/37044 210.0 93.732 93.732 168.292 -0.000 0.000 -0.000 3/37044 220.0 87.338 87.338 157.186 -0.000 0.000 -0.000 3/37044 230.0 81.701 81.701 147.345 -0.000 0.000 -0.000 3/37044 240.0 76.700 76.700 138.574 -0.000 0.000 -0.000 3/37044 250.0 72.237 72.237 130.719 -0.000 0.000 -0.000 3/37044 260.0 68.234 68.234 123.649 -0.000 0.000 -0.000 3/37044 270.0 64.628 64.628 117.260 -0.000 0.000 -0.000 3/37044 280.0 61.365 61.365 111.463 -0.000 0.000 -0.000 3/37044 290.0 58.401 58.401 106.185 -0.000 0.000 -0.000 3/37044 300.0 55.698 55.698 101.361 -0.000 0.000 -0.000 3/37044 310.0 53.225 53.225 96.940 -0.000 0.000 -0.000 3/37044 320.0 50.955 50.955 92.875 -0.000 0.000 -0.000 3/37044 330.0 48.866 48.866 89.127 -0.000 0.000 -0.000 3/37044 340.0 46.938 46.938 85.662 -0.000 0.000 -0.000 3/37044 350.0 45.153 45.153 82.451 -0.000 0.000 -0.000 3/37044 360.0 43.496 43.496 79.468 -0.000 0.000 -0.000 3/37044 370.0 41.956 41.956 76.690 -0.000 0.000 -0.000 3/37044 380.0 40.520 40.520 74.099 -0.000 0.000 -0.000 3/37044 390.0 39.179 39.179 71.675 -0.000 0.000 -0.000 3/37044 400.0 37.924 37.924 69.405 -0.000 0.000 -0.000 3/37044 410.0 36.746 36.746 67.275 -0.000 0.000 -0.000 3/37044 420.0 35.640 35.640 65.271 -0.000 0.000 -0.000 3/37044 430.0 34.599 34.599 63.385 -0.000 0.000 -0.000 3/37044 440.0 33.618 33.618 61.605 -0.000 0.000 -0.000 3/37044 450.0 32.692 32.692 59.924 -0.000 0.000 -0.000 3/37044 460.0 31.815 31.815 58.333 -0.000 0.000 -0.000 3/37044 470.0 30.986 30.986 56.826 -0.000 0.000 -0.000 3/37044 480.0 30.199 30.199 55.395 -0.000 0.000 -0.000 3/37044 490.0 29.452 29.452 54.037 -0.000 0.000 -0.000 3/37044 500.0 28.742 28.742 52.745 -0.000 0.000 -0.000 3/37044 510.0 28.066 28.066 51.514 -0.000 0.000 -0.000 3/37044 520.0 27.422 27.422 50.341 -0.000 0.000 -0.000 3/37044 530.0 26.807 26.807 49.221 -0.000 0.000 -0.000 3/37044 540.0 26.220 26.220 48.151 -0.000 0.000 -0.000 3/37044 550.0 25.659 25.659 47.128 -0.000 0.000 -0.000 3/37044 560.0 25.122 25.122 46.148 -0.000 0.000 -0.000 3/37044 570.0 24.608 24.608 45.210 -0.000 0.000 -0.000 3/37044 580.0 24.114 24.114 44.310 -0.000 0.000 -0.000 3/37044 590.0 23.641 23.641 43.446 -0.000 0.000 -0.000 3/37044 600.0 23.187 23.187 42.616 -0.000 0.000 -0.000 3/37044 610.0 22.750 22.750 41.818 -0.000 0.000 -0.000 3/37044 620.0 22.330 22.330 41.050 -0.000 0.000 -0.000 3/37044 630.0 21.925 21.925 40.311 -0.000 0.000 -0.000 3/37044 640.0 21.535 21.535 39.598 -0.000 0.000 -0.000 3/37044 650.0 21.160 21.160 38.911 -0.000 0.000 -0.000 3/37044 660.0 20.797 20.797 38.249 -0.000 0.000 -0.000 3/37044 670.0 20.448 20.448 37.609 -0.000 0.000 -0.000 3/37044 680.0 20.110 20.110 36.990 -0.000 0.000 -0.000 3/37044 690.0 19.783 19.783 36.393 -0.000 0.000 -0.000 3/37044 700.0 19.467 19.467 35.815 -0.000 0.000 -0.000 3/37044 710.0 19.162 19.162 35.255 -0.000 0.000 -0.000 3/37044 720.0 18.866 18.866 34.713 -0.000 0.000 -0.000 3/37044 730.0 18.579 18.579 34.188 -0.000 0.000 -0.000 3/37044 740.0 18.301 18.301 33.679 -0.000 0.000 -0.000 3/37044 750.0 18.032 18.032 33.186 -0.000 0.000 -0.000 3/37044 760.0 17.771 17.771 32.707 -0.000 0.000 -0.000 3/37044 770.0 17.517 17.517 32.242 -0.000 0.000 -0.000 3/37044 780.0 17.271 17.271 31.791 -0.000 0.000 -0.000 3/37044 790.0 17.032 17.032 31.352 -0.000 0.000 -0.000 3/37044 800.0 16.799 16.799 30.926 -0.000 0.000 -0.000 3/37044 810.0 16.573 16.573 30.512 -0.000 0.000 -0.000 3/37044 820.0 16.353 16.353 30.108 -0.000 0.000 -0.000 3/37044 830.0 16.139 16.139 29.716 -0.000 0.000 -0.000 3/37044 840.0 15.931 15.931 29.334 -0.000 0.000 -0.000 3/37044 850.0 15.728 15.728 28.962 -0.000 0.000 -0.000 3/37044 860.0 15.530 15.530 28.599 -0.000 0.000 -0.000 3/37044 870.0 15.338 15.338 28.246 -0.000 0.000 -0.000 3/37044 880.0 15.150 15.150 27.901 -0.000 0.000 -0.000 3/37044 890.0 14.967 14.967 27.565 -0.000 0.000 -0.000 3/37044 900.0 14.788 14.788 27.237 -0.000 0.000 -0.000 3/37044 910.0 14.614 14.614 26.917 -0.000 0.000 -0.000 3/37044 920.0 14.444 14.444 26.605 -0.000 0.000 -0.000 3/37044 930.0 14.278 14.278 26.300 -0.000 0.000 -0.000 3/37044 940.0 14.115 14.115 26.002 -0.000 0.000 -0.000 3/37044 950.0 13.957 13.957 25.711 -0.000 0.000 -0.000 3/37044 960.0 13.802 13.802 25.427 -0.000 0.000 -0.000 3/37044 970.0 13.651 13.651 25.149 -0.000 0.000 -0.000 3/37044 980.0 13.503 13.503 24.877 -0.000 0.000 -0.000 3/37044 990.0 13.358 13.358 24.611 -0.000 0.000 -0.000 3/37044 1000.0 13.216 13.216 24.350 -0.000 0.000 -0.000 3/37044 Thermal conductivity related properties were written into "kappa-m779.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:08:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|