----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:21:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.035125030004484 0.000000000000000 0.000000000000000 b 0.000000000000000 8.034724410000001 0.000000000000000 c -2.396561285519729 0.000000000000000 6.926655468514991 Atomic positions (fractional): *1 Y 0.77249564219419 0.49113427343746 0.24745769546721 88.906 2 Y 0.22750435780581 0.50886572656254 0.75254230453279 88.906 3 Y 0.22750435780581 0.99113427343746 0.75254230453279 88.906 4 Y 0.77249564219419 0.00886572656254 0.24745769546721 88.906 *5 Si 0.28983274711921 0.25000000000000 0.36940299018479 28.085 *6 Si 0.84517643851808 0.25000000000000 0.92512311346413 28.085 7 Si 0.71016725288079 0.75000000000000 0.63059700981521 28.085 8 Si 0.15482356148192 0.75000000000000 0.07487688653587 28.085 *9 O 0.21787976192594 0.41715871808517 0.46807276333973 15.999 10 O 0.78212023807406 0.91715871808517 0.53192723666027 15.999 *11 O 0.66743979781398 0.07835055608437 0.90593692537198 15.999 *12 O 0.99102435967915 0.75000000000000 0.83465695218838 15.999 13 O 0.66743979781398 0.42164944391563 0.90593692537198 15.999 14 O 0.78212023807406 0.58284128191483 0.53192723666027 15.999 15 O 0.33256020218602 0.57835055608437 0.09406307462802 15.999 *16 O 0.07169536027874 0.25000000000000 0.81106061858948 15.999 17 O 0.92830463972126 0.75000000000000 0.18893938141052 15.999 *18 O 0.57580979225736 0.25000000000000 0.31497522420136 15.999 19 O 0.00897564032085 0.25000000000000 0.16534304781162 15.999 20 O 0.33256020218602 0.92164944391563 0.09406307462802 15.999 21 O 0.21787976192594 0.08284128191483 0.46807276333973 15.999 22 O 0.42419020774264 0.75000000000000 0.68502477579864 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.035125030004484 0.000000000000000 0.000000000000000 b 0.000000000000000 8.034724410000001 0.000000000000000 c -2.396561285519729 0.000000000000000 6.926655468514991 Atomic positions (fractional): *1 Y 0.77249564219419 0.49113427343746 0.24745769546721 88.906 > 1 2 Y 0.22750435780581 0.50886572656254 0.75254230453279 88.906 > 2 3 Y 0.22750435780581 0.99113427343746 0.75254230453279 88.906 > 3 4 Y 0.77249564219419 0.00886572656254 0.24745769546721 88.906 > 4 *5 Si 0.28983274711921 0.25000000000000 0.36940299018479 28.085 > 5 *6 Si 0.84517643851808 0.25000000000000 0.92512311346413 28.085 > 6 7 Si 0.71016725288079 0.75000000000000 0.63059700981521 28.085 > 7 8 Si 0.15482356148192 0.75000000000000 0.07487688653587 28.085 > 8 *9 O 0.21787976192594 0.41715871808517 0.46807276333973 15.999 > 9 10 O 0.78212023807406 0.91715871808517 0.53192723666027 15.999 > 10 *11 O 0.66743979781398 0.07835055608437 0.90593692537198 15.999 > 11 *12 O 0.99102435967915 0.75000000000000 0.83465695218838 15.999 > 12 13 O 0.66743979781398 0.42164944391563 0.90593692537198 15.999 > 13 14 O 0.78212023807406 0.58284128191483 0.53192723666027 15.999 > 14 15 O 0.33256020218602 0.57835055608437 0.09406307462802 15.999 > 15 *16 O 0.07169536027874 0.25000000000000 0.81106061858948 15.999 > 16 17 O 0.92830463972126 0.75000000000000 0.18893938141052 15.999 > 17 *18 O 0.57580979225736 0.25000000000000 0.31497522420136 15.999 > 18 19 O 0.00897564032085 0.25000000000000 0.16534304781162 15.999 > 19 20 O 0.33256020218602 0.92164944391563 0.09406307462802 15.999 > 20 21 O 0.21787976192594 0.08284128191483 0.46807276333973 15.999 > 21 22 O 0.42419020774264 0.75000000000000 0.68502477579864 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.070250060008968 0.000000000000000 0.000000000000000 b 0.000000000000000 8.034724410000001 0.000000000000000 c -4.793122571039458 0.000000000000000 13.853310937029981 Atomic positions (fractional): *1 Y 0.38624782109709 0.49113427343746 0.12372884773361 88.906 > 1 2 Y 0.88624782109709 0.49113427343746 0.12372884773361 88.906 > 1 3 Y 0.38624782109709 0.49113427343746 0.62372884773361 88.906 > 1 4 Y 0.88624782109709 0.49113427343746 0.62372884773361 88.906 > 1 5 Y 0.11375217890290 0.50886572656254 0.37627115226639 88.906 > 2 6 Y 0.61375217890291 0.50886572656254 0.37627115226639 88.906 > 2 7 Y 0.11375217890290 0.50886572656254 0.87627115226639 88.906 > 2 8 Y 0.61375217890291 0.50886572656254 0.87627115226639 88.906 > 2 9 Y 0.11375217890290 0.99113427343746 0.37627115226639 88.906 > 3 10 Y 0.61375217890291 0.99113427343746 0.37627115226639 88.906 > 3 11 Y 0.11375217890290 0.99113427343746 0.87627115226639 88.906 > 3 12 Y 0.61375217890291 0.99113427343746 0.87627115226639 88.906 > 3 13 Y 0.38624782109709 0.00886572656254 0.12372884773361 88.906 > 4 14 Y 0.88624782109709 0.00886572656254 0.12372884773361 88.906 > 4 15 Y 0.38624782109709 0.00886572656254 0.62372884773361 88.906 > 4 16 Y 0.88624782109709 0.00886572656254 0.62372884773361 88.906 > 4 *17 Si 0.14491637355960 0.25000000000000 0.18470149509239 28.085 > 5 18 Si 0.64491637355960 0.25000000000000 0.18470149509239 28.085 > 5 19 Si 0.14491637355960 0.25000000000000 0.68470149509239 28.085 > 5 20 Si 0.64491637355960 0.25000000000000 0.68470149509239 28.085 > 5 *21 Si 0.42258821925904 0.25000000000000 0.46256155673207 28.085 > 6 22 Si 0.92258821925904 0.25000000000000 0.46256155673207 28.085 > 6 23 Si 0.42258821925904 0.25000000000000 0.96256155673207 28.085 > 6 24 Si 0.92258821925904 0.25000000000000 0.96256155673207 28.085 > 6 25 Si 0.35508362644039 0.75000000000000 0.31529850490761 28.085 > 7 26 Si 0.85508362644039 0.75000000000000 0.31529850490761 28.085 > 7 27 Si 0.35508362644039 0.75000000000000 0.81529850490761 28.085 > 7 28 Si 0.85508362644039 0.75000000000000 0.81529850490761 28.085 > 7 29 Si 0.07741178074096 0.75000000000000 0.03743844326793 28.085 > 8 30 Si 0.57741178074096 0.75000000000000 0.03743844326793 28.085 > 8 31 Si 0.07741178074096 0.75000000000000 0.53743844326793 28.085 > 8 32 Si 0.57741178074096 0.75000000000000 0.53743844326793 28.085 > 8 *33 O 0.10893988096297 0.41715871808517 0.23403638166987 15.999 > 9 34 O 0.60893988096297 0.41715871808517 0.23403638166987 15.999 > 9 35 O 0.10893988096297 0.41715871808517 0.73403638166986 15.999 > 9 36 O 0.60893988096297 0.41715871808517 0.73403638166986 15.999 > 9 37 O 0.39106011903703 0.91715871808517 0.26596361833013 15.999 > 10 38 O 0.89106011903703 0.91715871808517 0.26596361833013 15.999 > 10 39 O 0.39106011903703 0.91715871808517 0.76596361833014 15.999 > 10 40 O 0.89106011903703 0.91715871808517 0.76596361833014 15.999 > 10 *41 O 0.33371989890699 0.07835055608437 0.45296846268599 15.999 > 11 42 O 0.83371989890699 0.07835055608437 0.45296846268599 15.999 > 11 43 O 0.33371989890699 0.07835055608437 0.95296846268599 15.999 > 11 44 O 0.83371989890699 0.07835055608437 0.95296846268599 15.999 > 11 *45 O 0.49551217983957 0.75000000000000 0.41732847609419 15.999 > 12 46 O 0.99551217983957 0.75000000000000 0.41732847609419 15.999 > 12 47 O 0.49551217983957 0.75000000000000 0.91732847609419 15.999 > 12 48 O 0.99551217983957 0.75000000000000 0.91732847609419 15.999 > 12 49 O 0.33371989890699 0.42164944391563 0.45296846268599 15.999 > 13 50 O 0.83371989890699 0.42164944391563 0.45296846268599 15.999 > 13 51 O 0.33371989890699 0.42164944391563 0.95296846268599 15.999 > 13 52 O 0.83371989890699 0.42164944391563 0.95296846268599 15.999 > 13 53 O 0.39106011903703 0.58284128191483 0.26596361833013 15.999 > 14 54 O 0.89106011903703 0.58284128191483 0.26596361833013 15.999 > 14 55 O 0.39106011903703 0.58284128191483 0.76596361833014 15.999 > 14 56 O 0.89106011903703 0.58284128191483 0.76596361833014 15.999 > 14 57 O 0.16628010109301 0.57835055608437 0.04703153731401 15.999 > 15 58 O 0.66628010109301 0.57835055608437 0.04703153731401 15.999 > 15 59 O 0.16628010109301 0.57835055608437 0.54703153731401 15.999 > 15 60 O 0.66628010109301 0.57835055608437 0.54703153731401 15.999 > 15 *61 O 0.03584768013937 0.25000000000000 0.40553030929474 15.999 > 16 62 O 0.53584768013937 0.25000000000000 0.40553030929474 15.999 > 16 63 O 0.03584768013937 0.25000000000000 0.90553030929474 15.999 > 16 64 O 0.53584768013937 0.25000000000000 0.90553030929474 15.999 > 16 65 O 0.46415231986063 0.75000000000000 0.09446969070526 15.999 > 17 66 O 0.96415231986063 0.75000000000000 0.09446969070526 15.999 > 17 67 O 0.46415231986063 0.75000000000000 0.59446969070526 15.999 > 17 68 O 0.96415231986063 0.75000000000000 0.59446969070526 15.999 > 17 *69 O 0.28790489612868 0.25000000000000 0.15748761210068 15.999 > 18 70 O 0.78790489612868 0.25000000000000 0.15748761210068 15.999 > 18 71 O 0.28790489612868 0.25000000000000 0.65748761210068 15.999 > 18 72 O 0.78790489612868 0.25000000000000 0.65748761210068 15.999 > 18 73 O 0.00448782016043 0.25000000000000 0.08267152390581 15.999 > 19 74 O 0.50448782016043 0.25000000000000 0.08267152390581 15.999 > 19 75 O 0.00448782016043 0.25000000000000 0.58267152390581 15.999 > 19 76 O 0.50448782016043 0.25000000000000 0.58267152390581 15.999 > 19 77 O 0.16628010109301 0.92164944391563 0.04703153731401 15.999 > 20 78 O 0.66628010109301 0.92164944391563 0.04703153731401 15.999 > 20 79 O 0.16628010109301 0.92164944391563 0.54703153731401 15.999 > 20 80 O 0.66628010109301 0.92164944391563 0.54703153731401 15.999 > 20 81 O 0.10893988096297 0.08284128191483 0.23403638166987 15.999 > 21 82 O 0.60893988096297 0.08284128191483 0.23403638166987 15.999 > 21 83 O 0.10893988096297 0.08284128191483 0.73403638166986 15.999 > 21 84 O 0.60893988096297 0.08284128191483 0.73403638166986 15.999 > 21 85 O 0.21209510387132 0.75000000000000 0.34251238789932 15.999 > 22 86 O 0.71209510387132 0.75000000000000 0.34251238789932 15.999 > 22 87 O 0.21209510387132 0.75000000000000 0.84251238789932 15.999 > 22 88 O 0.71209510387132 0.75000000000000 0.84251238789932 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3160214 0.0000000 -0.0077410 0.0000000 3.3747351 0.0000000 -0.0077410 0.0000000 3.3330016 -------------------------- Born effective charges -------------------------- 1 Y 3.6056730 0.2642298 0.1407493 -0.1734130 3.9037827 0.0651827 0.1439857 -0.0928417 3.9723888 2 Y 3.6056730 0.2642298 0.1407493 -0.1734130 3.9037827 0.0651827 0.1439857 -0.0928417 3.9723888 3 Y 3.6056730 -0.2642298 0.1407493 0.1734130 3.9037827 -0.0651827 0.1439857 0.0928417 3.9723888 4 Y 3.6056730 -0.2642298 0.1407493 0.1734130 3.9037827 -0.0651827 0.1439857 0.0928417 3.9723888 5 Si 3.5979025 0.0000000 -0.1693791 0.0000000 3.2089618 0.0000000 -0.2010807 0.0000000 2.9598988 6 Si 3.1768628 0.0000000 -0.3003686 0.0000000 3.1671685 0.0000000 -0.2490896 0.0000000 3.0410737 7 Si 3.5979025 0.0000000 -0.1693791 0.0000000 3.2089618 0.0000000 -0.2010807 0.0000000 2.9598988 8 Si 3.1768628 0.0000000 -0.3003686 0.0000000 3.1671685 0.0000000 -0.2490896 0.0000000 3.0410737 9 O -1.6927329 0.3445000 0.0131790 0.5551629 -1.9201386 -0.5148830 0.1554260 -0.5124603 -2.3755742 10 O -1.6927329 -0.3445000 0.0131790 -0.5551629 -1.9201386 0.5148830 0.1554260 0.5124603 -2.3755742 11 O -2.0849838 -0.5074237 -0.2187670 -0.6480318 -1.9727467 -0.0358259 -0.3487216 -0.1840670 -1.9098495 12 O -1.6806710 0.0000000 -0.4180126 0.0000000 -1.7069770 0.0000000 -0.4305484 0.0000000 -2.7414644 13 O -2.0849838 0.5074237 -0.2187670 0.6480318 -1.9727467 0.0358259 -0.3487216 0.1840670 -1.9098495 14 O -1.6927329 0.3445000 0.0131790 0.5551629 -1.9201386 -0.5148830 0.1554260 -0.5124603 -2.3755742 15 O -2.0849838 0.5074237 -0.2187670 0.6480318 -1.9727467 0.0358259 -0.3487216 0.1840670 -1.9098495 16 O -2.1871187 0.0000000 0.5381872 0.0000000 -2.3966701 0.0000000 0.6116465 0.0000000 -1.3980343 17 O -2.1871187 0.0000000 0.5381872 0.0000000 -2.3966701 0.0000000 0.6116465 0.0000000 -1.3980343 18 O -2.5628883 0.0000000 0.4792505 0.0000000 -2.2942778 0.0000000 0.3676920 0.0000000 -1.2354038 19 O -1.6806710 0.0000000 -0.4180126 0.0000000 -1.7069770 0.0000000 -0.4305484 0.0000000 -2.7414644 20 O -2.0849838 -0.5074237 -0.2187670 -0.6480318 -1.9727467 -0.0358259 -0.3487216 -0.1840670 -1.9098495 21 O -1.6927329 -0.3445000 0.0131790 -0.5551629 -1.9201386 0.5148830 0.1554260 0.5124603 -2.3755742 22 O -2.5628883 0.0000000 0.4792505 0.0000000 -2.2942778 0.0000000 0.3676920 0.0000000 -1.2354038 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2360 Number of blocks in projector: 2360 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 235 eigenvectors found. (2) Block: 500 / 584 (2) 237 eigenvectors found. (2) Block: 584 / 584 (2) 77 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 336 Use standard eigh solver. Tree of FC basis block matrices: - (2360, 2309), data: False |-- (336, 328), data: True |-- (336, 328), data: True |-- (336, 328), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (584, 569), data: False |-- (584, 569), data: False |-- (584, 20), data: (584, 35) @ (35, 20) |-- (84, 77), data: True |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.616 Solver_block: 200 / 720 - Time: 0.496 Solver_block: 300 / 720 - Time: 0.526 Solver_block: 400 / 720 - Time: 0.509 Solver_block: 500 / 720 - Time: 0.476 Solver_block: 600 / 720 - Time: 0.490 Solver_block: 700 / 720 - Time: 0.489 Solver_block: 720 / 720 - Time: 0.234 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.986 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2360 Number of blocks in projector: 2360 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 235 eigenvectors found. (2) Block: 500 / 584 (2) 237 eigenvectors found. (2) Block: 584 / 584 (2) 77 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 336 Use standard eigh solver. Tree of FC basis block matrices: - (2360, 2309), data: False |-- (336, 328), data: True |-- (336, 328), data: True |-- (336, 328), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (584, 569), data: False |-- (584, 569), data: False |-- (584, 20), data: (584, 35) @ (35, 20) |-- (84, 77), data: True |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:22:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:22:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.035125030004484 0.000000000000000 0.000000000000000 b 0.000000000000000 8.034724410000001 0.000000000000000 c -2.396561285519729 0.000000000000000 6.926655468514991 Atomic positions (fractional): 1 Y 0.77249564219419 0.49113427343746 0.24745769546721 88.906 2 Y 0.22750435780581 0.50886572656254 0.75254230453279 88.906 3 Y 0.22750435780581 0.99113427343746 0.75254230453279 88.906 4 Y 0.77249564219419 0.00886572656254 0.24745769546721 88.906 5 Si 0.28983274711921 0.25000000000000 0.36940299018479 28.085 6 Si 0.84517643851808 0.25000000000000 0.92512311346413 28.085 7 Si 0.71016725288079 0.75000000000000 0.63059700981521 28.085 8 Si 0.15482356148192 0.75000000000000 0.07487688653587 28.085 9 O 0.21787976192594 0.41715871808517 0.46807276333973 15.999 10 O 0.78212023807406 0.91715871808517 0.53192723666027 15.999 11 O 0.66743979781398 0.07835055608437 0.90593692537198 15.999 12 O 0.99102435967915 0.75000000000000 0.83465695218838 15.999 13 O 0.66743979781398 0.42164944391563 0.90593692537198 15.999 14 O 0.78212023807406 0.58284128191483 0.53192723666027 15.999 15 O 0.33256020218602 0.57835055608437 0.09406307462802 15.999 16 O 0.07169536027874 0.25000000000000 0.81106061858948 15.999 17 O 0.92830463972126 0.75000000000000 0.18893938141052 15.999 18 O 0.57580979225736 0.25000000000000 0.31497522420136 15.999 19 O 0.00897564032085 0.25000000000000 0.16534304781162 15.999 20 O 0.33256020218602 0.92164944391563 0.09406307462802 15.999 21 O 0.21787976192594 0.08284128191483 0.46807276333973 15.999 22 O 0.42419020774264 0.75000000000000 0.68502477579864 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.070250060008968 0.000000000000000 0.000000000000000 b 0.000000000000000 8.034724410000001 0.000000000000000 c -4.793122571039458 0.000000000000000 13.853310937029981 Atomic positions (fractional): 1 Y 0.38624782109709 0.49113427343746 0.12372884773361 88.906 > 1 2 Y 0.88624782109709 0.49113427343746 0.12372884773361 88.906 > 1 3 Y 0.38624782109709 0.49113427343746 0.62372884773361 88.906 > 1 4 Y 0.88624782109709 0.49113427343746 0.62372884773361 88.906 > 1 5 Y 0.11375217890290 0.50886572656254 0.37627115226639 88.906 > 5 6 Y 0.61375217890291 0.50886572656254 0.37627115226639 88.906 > 5 7 Y 0.11375217890290 0.50886572656254 0.87627115226639 88.906 > 5 8 Y 0.61375217890291 0.50886572656254 0.87627115226639 88.906 > 5 9 Y 0.11375217890290 0.99113427343746 0.37627115226639 88.906 > 9 10 Y 0.61375217890291 0.99113427343746 0.37627115226639 88.906 > 9 11 Y 0.11375217890290 0.99113427343746 0.87627115226639 88.906 > 9 12 Y 0.61375217890291 0.99113427343746 0.87627115226639 88.906 > 9 13 Y 0.38624782109709 0.00886572656254 0.12372884773361 88.906 > 13 14 Y 0.88624782109709 0.00886572656254 0.12372884773361 88.906 > 13 15 Y 0.38624782109709 0.00886572656254 0.62372884773361 88.906 > 13 16 Y 0.88624782109709 0.00886572656254 0.62372884773361 88.906 > 13 17 Si 0.14491637355960 0.25000000000000 0.18470149509239 28.085 > 17 18 Si 0.64491637355960 0.25000000000000 0.18470149509239 28.085 > 17 19 Si 0.14491637355960 0.25000000000000 0.68470149509239 28.085 > 17 20 Si 0.64491637355960 0.25000000000000 0.68470149509239 28.085 > 17 21 Si 0.42258821925904 0.25000000000000 0.46256155673207 28.085 > 21 22 Si 0.92258821925904 0.25000000000000 0.46256155673207 28.085 > 21 23 Si 0.42258821925904 0.25000000000000 0.96256155673207 28.085 > 21 24 Si 0.92258821925904 0.25000000000000 0.96256155673207 28.085 > 21 25 Si 0.35508362644039 0.75000000000000 0.31529850490761 28.085 > 25 26 Si 0.85508362644039 0.75000000000000 0.31529850490761 28.085 > 25 27 Si 0.35508362644039 0.75000000000000 0.81529850490761 28.085 > 25 28 Si 0.85508362644039 0.75000000000000 0.81529850490761 28.085 > 25 29 Si 0.07741178074096 0.75000000000000 0.03743844326793 28.085 > 29 30 Si 0.57741178074096 0.75000000000000 0.03743844326793 28.085 > 29 31 Si 0.07741178074096 0.75000000000000 0.53743844326793 28.085 > 29 32 Si 0.57741178074096 0.75000000000000 0.53743844326793 28.085 > 29 33 O 0.10893988096297 0.41715871808517 0.23403638166987 15.999 > 33 34 O 0.60893988096297 0.41715871808517 0.23403638166987 15.999 > 33 35 O 0.10893988096297 0.41715871808517 0.73403638166986 15.999 > 33 36 O 0.60893988096297 0.41715871808517 0.73403638166986 15.999 > 33 37 O 0.39106011903703 0.91715871808517 0.26596361833013 15.999 > 37 38 O 0.89106011903703 0.91715871808517 0.26596361833013 15.999 > 37 39 O 0.39106011903703 0.91715871808517 0.76596361833014 15.999 > 37 40 O 0.89106011903703 0.91715871808517 0.76596361833014 15.999 > 37 41 O 0.33371989890699 0.07835055608437 0.45296846268599 15.999 > 41 42 O 0.83371989890699 0.07835055608437 0.45296846268599 15.999 > 41 43 O 0.33371989890699 0.07835055608437 0.95296846268599 15.999 > 41 44 O 0.83371989890699 0.07835055608437 0.95296846268599 15.999 > 41 45 O 0.49551217983957 0.75000000000000 0.41732847609419 15.999 > 45 46 O 0.99551217983957 0.75000000000000 0.41732847609419 15.999 > 45 47 O 0.49551217983957 0.75000000000000 0.91732847609419 15.999 > 45 48 O 0.99551217983957 0.75000000000000 0.91732847609419 15.999 > 45 49 O 0.33371989890699 0.42164944391563 0.45296846268599 15.999 > 49 50 O 0.83371989890699 0.42164944391563 0.45296846268599 15.999 > 49 51 O 0.33371989890699 0.42164944391563 0.95296846268599 15.999 > 49 52 O 0.83371989890699 0.42164944391563 0.95296846268599 15.999 > 49 53 O 0.39106011903703 0.58284128191483 0.26596361833013 15.999 > 53 54 O 0.89106011903703 0.58284128191483 0.26596361833013 15.999 > 53 55 O 0.39106011903703 0.58284128191483 0.76596361833014 15.999 > 53 56 O 0.89106011903703 0.58284128191483 0.76596361833014 15.999 > 53 57 O 0.16628010109301 0.57835055608437 0.04703153731401 15.999 > 57 58 O 0.66628010109301 0.57835055608437 0.04703153731401 15.999 > 57 59 O 0.16628010109301 0.57835055608437 0.54703153731401 15.999 > 57 60 O 0.66628010109301 0.57835055608437 0.54703153731401 15.999 > 57 61 O 0.03584768013937 0.25000000000000 0.40553030929474 15.999 > 61 62 O 0.53584768013937 0.25000000000000 0.40553030929474 15.999 > 61 63 O 0.03584768013937 0.25000000000000 0.90553030929474 15.999 > 61 64 O 0.53584768013937 0.25000000000000 0.90553030929474 15.999 > 61 65 O 0.46415231986063 0.75000000000000 0.09446969070526 15.999 > 65 66 O 0.96415231986063 0.75000000000000 0.09446969070526 15.999 > 65 67 O 0.46415231986063 0.75000000000000 0.59446969070526 15.999 > 65 68 O 0.96415231986063 0.75000000000000 0.59446969070526 15.999 > 65 69 O 0.28790489612868 0.25000000000000 0.15748761210068 15.999 > 69 70 O 0.78790489612868 0.25000000000000 0.15748761210068 15.999 > 69 71 O 0.28790489612868 0.25000000000000 0.65748761210068 15.999 > 69 72 O 0.78790489612868 0.25000000000000 0.65748761210068 15.999 > 69 73 O 0.00448782016043 0.25000000000000 0.08267152390581 15.999 > 73 74 O 0.50448782016043 0.25000000000000 0.08267152390581 15.999 > 73 75 O 0.00448782016043 0.25000000000000 0.58267152390581 15.999 > 73 76 O 0.50448782016043 0.25000000000000 0.58267152390581 15.999 > 73 77 O 0.16628010109301 0.92164944391563 0.04703153731401 15.999 > 77 78 O 0.66628010109301 0.92164944391563 0.04703153731401 15.999 > 77 79 O 0.16628010109301 0.92164944391563 0.54703153731401 15.999 > 77 80 O 0.66628010109301 0.92164944391563 0.54703153731401 15.999 > 77 81 O 0.10893988096297 0.08284128191483 0.23403638166987 15.999 > 81 82 O 0.60893988096297 0.08284128191483 0.23403638166987 15.999 > 81 83 O 0.10893988096297 0.08284128191483 0.73403638166986 15.999 > 81 84 O 0.60893988096297 0.08284128191483 0.73403638166986 15.999 > 81 85 O 0.21209510387132 0.75000000000000 0.34251238789932 15.999 > 85 86 O 0.71209510387132 0.75000000000000 0.34251238789932 15.999 > 85 87 O 0.21209510387132 0.75000000000000 0.84251238789932 15.999 > 85 88 O 0.71209510387132 0.75000000000000 0.84251238789932 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3160214 0.0000000 -0.0077410 0.0000000 3.3747351 0.0000000 -0.0077410 0.0000000 3.3330016 -------------------------- Born effective charges -------------------------- 1 Y 3.6056730 0.2642298 0.1407493 -0.1734130 3.9037827 0.0651827 0.1439857 -0.0928417 3.9723888 2 Y 3.6056730 0.2642298 0.1407493 -0.1734130 3.9037827 0.0651827 0.1439857 -0.0928417 3.9723888 3 Y 3.6056730 -0.2642298 0.1407493 0.1734130 3.9037827 -0.0651827 0.1439857 0.0928417 3.9723888 4 Y 3.6056730 -0.2642298 0.1407493 0.1734130 3.9037827 -0.0651827 0.1439857 0.0928417 3.9723888 5 Si 3.5979025 0.0000000 -0.1693791 0.0000000 3.2089618 0.0000000 -0.2010807 0.0000000 2.9598988 6 Si 3.1768628 0.0000000 -0.3003686 0.0000000 3.1671685 0.0000000 -0.2490896 0.0000000 3.0410737 7 Si 3.5979025 0.0000000 -0.1693791 0.0000000 3.2089618 0.0000000 -0.2010807 0.0000000 2.9598988 8 Si 3.1768628 0.0000000 -0.3003686 0.0000000 3.1671685 0.0000000 -0.2490896 0.0000000 3.0410737 9 O -1.6927329 0.3445000 0.0131790 0.5551629 -1.9201386 -0.5148830 0.1554260 -0.5124603 -2.3755742 10 O -1.6927329 -0.3445000 0.0131790 -0.5551629 -1.9201386 0.5148830 0.1554260 0.5124603 -2.3755742 11 O -2.0849838 -0.5074237 -0.2187670 -0.6480318 -1.9727467 -0.0358259 -0.3487216 -0.1840670 -1.9098495 12 O -1.6806710 0.0000000 -0.4180126 0.0000000 -1.7069770 0.0000000 -0.4305484 0.0000000 -2.7414644 13 O -2.0849838 0.5074237 -0.2187670 0.6480318 -1.9727467 0.0358259 -0.3487216 0.1840670 -1.9098495 14 O -1.6927329 0.3445000 0.0131790 0.5551629 -1.9201386 -0.5148830 0.1554260 -0.5124603 -2.3755742 15 O -2.0849838 0.5074237 -0.2187670 0.6480318 -1.9727467 0.0358259 -0.3487216 0.1840670 -1.9098495 16 O -2.1871187 0.0000000 0.5381872 0.0000000 -2.3966701 0.0000000 0.6116465 0.0000000 -1.3980343 17 O -2.1871187 0.0000000 0.5381872 0.0000000 -2.3966701 0.0000000 0.6116465 0.0000000 -1.3980343 18 O -2.5628883 0.0000000 0.4792505 0.0000000 -2.2942778 0.0000000 0.3676920 0.0000000 -1.2354038 19 O -1.6806710 0.0000000 -0.4180126 0.0000000 -1.7069770 0.0000000 -0.4305484 0.0000000 -2.7414644 20 O -2.0849838 -0.5074237 -0.2187670 -0.6480318 -1.9727467 -0.0358259 -0.3487216 -0.1840670 -1.9098495 21 O -1.6927329 -0.3445000 0.0131790 -0.5551629 -1.9201386 0.5148830 0.1554260 0.5124603 -2.3755742 22 O -2.5628883 0.0000000 0.4792505 0.0000000 -2.2942778 0.0000000 0.3676920 0.0000000 -1.2354038 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (zzz) 0.00000007 (zzz) 0.00000007 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:22:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:22:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.035125030004484 0.000000000000000 0.000000000000000 b 0.000000000000000 8.034724410000001 0.000000000000000 c -2.396561285519729 0.000000000000000 6.926655468514991 Atomic positions (fractional): 1 Y 0.77249564219419 0.49113427343746 0.24745769546721 88.906 2 Y 0.22750435780581 0.50886572656254 0.75254230453279 88.906 3 Y 0.22750435780581 0.99113427343746 0.75254230453279 88.906 4 Y 0.77249564219419 0.00886572656254 0.24745769546721 88.906 5 Si 0.28983274711921 0.25000000000000 0.36940299018479 28.085 6 Si 0.84517643851808 0.25000000000000 0.92512311346413 28.085 7 Si 0.71016725288079 0.75000000000000 0.63059700981521 28.085 8 Si 0.15482356148192 0.75000000000000 0.07487688653587 28.085 9 O 0.21787976192594 0.41715871808517 0.46807276333973 15.999 10 O 0.78212023807406 0.91715871808517 0.53192723666027 15.999 11 O 0.66743979781398 0.07835055608437 0.90593692537198 15.999 12 O 0.99102435967915 0.75000000000000 0.83465695218838 15.999 13 O 0.66743979781398 0.42164944391563 0.90593692537198 15.999 14 O 0.78212023807406 0.58284128191483 0.53192723666027 15.999 15 O 0.33256020218602 0.57835055608437 0.09406307462802 15.999 16 O 0.07169536027874 0.25000000000000 0.81106061858948 15.999 17 O 0.92830463972126 0.75000000000000 0.18893938141052 15.999 18 O 0.57580979225736 0.25000000000000 0.31497522420136 15.999 19 O 0.00897564032085 0.25000000000000 0.16534304781162 15.999 20 O 0.33256020218602 0.92164944391563 0.09406307462802 15.999 21 O 0.21787976192594 0.08284128191483 0.46807276333973 15.999 22 O 0.42419020774264 0.75000000000000 0.68502477579864 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.070250060008968 0.000000000000000 0.000000000000000 b 0.000000000000000 8.034724410000001 0.000000000000000 c -4.793122571039458 0.000000000000000 13.853310937029981 Atomic positions (fractional): 1 Y 0.38624782109709 0.49113427343746 0.12372884773361 88.906 > 1 2 Y 0.88624782109709 0.49113427343746 0.12372884773361 88.906 > 1 3 Y 0.38624782109709 0.49113427343746 0.62372884773361 88.906 > 1 4 Y 0.88624782109709 0.49113427343746 0.62372884773361 88.906 > 1 5 Y 0.11375217890290 0.50886572656254 0.37627115226639 88.906 > 5 6 Y 0.61375217890291 0.50886572656254 0.37627115226639 88.906 > 5 7 Y 0.11375217890290 0.50886572656254 0.87627115226639 88.906 > 5 8 Y 0.61375217890291 0.50886572656254 0.87627115226639 88.906 > 5 9 Y 0.11375217890290 0.99113427343746 0.37627115226639 88.906 > 9 10 Y 0.61375217890291 0.99113427343746 0.37627115226639 88.906 > 9 11 Y 0.11375217890290 0.99113427343746 0.87627115226639 88.906 > 9 12 Y 0.61375217890291 0.99113427343746 0.87627115226639 88.906 > 9 13 Y 0.38624782109709 0.00886572656254 0.12372884773361 88.906 > 13 14 Y 0.88624782109709 0.00886572656254 0.12372884773361 88.906 > 13 15 Y 0.38624782109709 0.00886572656254 0.62372884773361 88.906 > 13 16 Y 0.88624782109709 0.00886572656254 0.62372884773361 88.906 > 13 17 Si 0.14491637355960 0.25000000000000 0.18470149509239 28.085 > 17 18 Si 0.64491637355960 0.25000000000000 0.18470149509239 28.085 > 17 19 Si 0.14491637355960 0.25000000000000 0.68470149509239 28.085 > 17 20 Si 0.64491637355960 0.25000000000000 0.68470149509239 28.085 > 17 21 Si 0.42258821925904 0.25000000000000 0.46256155673207 28.085 > 21 22 Si 0.92258821925904 0.25000000000000 0.46256155673207 28.085 > 21 23 Si 0.42258821925904 0.25000000000000 0.96256155673207 28.085 > 21 24 Si 0.92258821925904 0.25000000000000 0.96256155673207 28.085 > 21 25 Si 0.35508362644039 0.75000000000000 0.31529850490761 28.085 > 25 26 Si 0.85508362644039 0.75000000000000 0.31529850490761 28.085 > 25 27 Si 0.35508362644039 0.75000000000000 0.81529850490761 28.085 > 25 28 Si 0.85508362644039 0.75000000000000 0.81529850490761 28.085 > 25 29 Si 0.07741178074096 0.75000000000000 0.03743844326793 28.085 > 29 30 Si 0.57741178074096 0.75000000000000 0.03743844326793 28.085 > 29 31 Si 0.07741178074096 0.75000000000000 0.53743844326793 28.085 > 29 32 Si 0.57741178074096 0.75000000000000 0.53743844326793 28.085 > 29 33 O 0.10893988096297 0.41715871808517 0.23403638166987 15.999 > 33 34 O 0.60893988096297 0.41715871808517 0.23403638166987 15.999 > 33 35 O 0.10893988096297 0.41715871808517 0.73403638166986 15.999 > 33 36 O 0.60893988096297 0.41715871808517 0.73403638166986 15.999 > 33 37 O 0.39106011903703 0.91715871808517 0.26596361833013 15.999 > 37 38 O 0.89106011903703 0.91715871808517 0.26596361833013 15.999 > 37 39 O 0.39106011903703 0.91715871808517 0.76596361833014 15.999 > 37 40 O 0.89106011903703 0.91715871808517 0.76596361833014 15.999 > 37 41 O 0.33371989890699 0.07835055608437 0.45296846268599 15.999 > 41 42 O 0.83371989890699 0.07835055608437 0.45296846268599 15.999 > 41 43 O 0.33371989890699 0.07835055608437 0.95296846268599 15.999 > 41 44 O 0.83371989890699 0.07835055608437 0.95296846268599 15.999 > 41 45 O 0.49551217983957 0.75000000000000 0.41732847609419 15.999 > 45 46 O 0.99551217983957 0.75000000000000 0.41732847609419 15.999 > 45 47 O 0.49551217983957 0.75000000000000 0.91732847609419 15.999 > 45 48 O 0.99551217983957 0.75000000000000 0.91732847609419 15.999 > 45 49 O 0.33371989890699 0.42164944391563 0.45296846268599 15.999 > 49 50 O 0.83371989890699 0.42164944391563 0.45296846268599 15.999 > 49 51 O 0.33371989890699 0.42164944391563 0.95296846268599 15.999 > 49 52 O 0.83371989890699 0.42164944391563 0.95296846268599 15.999 > 49 53 O 0.39106011903703 0.58284128191483 0.26596361833013 15.999 > 53 54 O 0.89106011903703 0.58284128191483 0.26596361833013 15.999 > 53 55 O 0.39106011903703 0.58284128191483 0.76596361833014 15.999 > 53 56 O 0.89106011903703 0.58284128191483 0.76596361833014 15.999 > 53 57 O 0.16628010109301 0.57835055608437 0.04703153731401 15.999 > 57 58 O 0.66628010109301 0.57835055608437 0.04703153731401 15.999 > 57 59 O 0.16628010109301 0.57835055608437 0.54703153731401 15.999 > 57 60 O 0.66628010109301 0.57835055608437 0.54703153731401 15.999 > 57 61 O 0.03584768013937 0.25000000000000 0.40553030929474 15.999 > 61 62 O 0.53584768013937 0.25000000000000 0.40553030929474 15.999 > 61 63 O 0.03584768013937 0.25000000000000 0.90553030929474 15.999 > 61 64 O 0.53584768013937 0.25000000000000 0.90553030929474 15.999 > 61 65 O 0.46415231986063 0.75000000000000 0.09446969070526 15.999 > 65 66 O 0.96415231986063 0.75000000000000 0.09446969070526 15.999 > 65 67 O 0.46415231986063 0.75000000000000 0.59446969070526 15.999 > 65 68 O 0.96415231986063 0.75000000000000 0.59446969070526 15.999 > 65 69 O 0.28790489612868 0.25000000000000 0.15748761210068 15.999 > 69 70 O 0.78790489612868 0.25000000000000 0.15748761210068 15.999 > 69 71 O 0.28790489612868 0.25000000000000 0.65748761210068 15.999 > 69 72 O 0.78790489612868 0.25000000000000 0.65748761210068 15.999 > 69 73 O 0.00448782016043 0.25000000000000 0.08267152390581 15.999 > 73 74 O 0.50448782016043 0.25000000000000 0.08267152390581 15.999 > 73 75 O 0.00448782016043 0.25000000000000 0.58267152390581 15.999 > 73 76 O 0.50448782016043 0.25000000000000 0.58267152390581 15.999 > 73 77 O 0.16628010109301 0.92164944391563 0.04703153731401 15.999 > 77 78 O 0.66628010109301 0.92164944391563 0.04703153731401 15.999 > 77 79 O 0.16628010109301 0.92164944391563 0.54703153731401 15.999 > 77 80 O 0.66628010109301 0.92164944391563 0.54703153731401 15.999 > 77 81 O 0.10893988096297 0.08284128191483 0.23403638166987 15.999 > 81 82 O 0.60893988096297 0.08284128191483 0.23403638166987 15.999 > 81 83 O 0.10893988096297 0.08284128191483 0.73403638166986 15.999 > 81 84 O 0.60893988096297 0.08284128191483 0.73403638166986 15.999 > 81 85 O 0.21209510387132 0.75000000000000 0.34251238789932 15.999 > 85 86 O 0.71209510387132 0.75000000000000 0.34251238789932 15.999 > 85 87 O 0.21209510387132 0.75000000000000 0.84251238789932 15.999 > 85 88 O 0.71209510387132 0.75000000000000 0.84251238789932 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3160214 0.0000000 -0.0077410 0.0000000 3.3747351 0.0000000 -0.0077410 0.0000000 3.3330016 -------------------------- Born effective charges -------------------------- 1 Y 3.6056730 0.2642298 0.1407493 -0.1734130 3.9037827 0.0651827 0.1439857 -0.0928417 3.9723888 2 Y 3.6056730 0.2642298 0.1407493 -0.1734130 3.9037827 0.0651827 0.1439857 -0.0928417 3.9723888 3 Y 3.6056730 -0.2642298 0.1407493 0.1734130 3.9037827 -0.0651827 0.1439857 0.0928417 3.9723888 4 Y 3.6056730 -0.2642298 0.1407493 0.1734130 3.9037827 -0.0651827 0.1439857 0.0928417 3.9723888 5 Si 3.5979025 0.0000000 -0.1693791 0.0000000 3.2089618 0.0000000 -0.2010807 0.0000000 2.9598988 6 Si 3.1768628 0.0000000 -0.3003686 0.0000000 3.1671685 0.0000000 -0.2490896 0.0000000 3.0410737 7 Si 3.5979025 0.0000000 -0.1693791 0.0000000 3.2089618 0.0000000 -0.2010807 0.0000000 2.9598988 8 Si 3.1768628 0.0000000 -0.3003686 0.0000000 3.1671685 0.0000000 -0.2490896 0.0000000 3.0410737 9 O -1.6927329 0.3445000 0.0131790 0.5551629 -1.9201386 -0.5148830 0.1554260 -0.5124603 -2.3755742 10 O -1.6927329 -0.3445000 0.0131790 -0.5551629 -1.9201386 0.5148830 0.1554260 0.5124603 -2.3755742 11 O -2.0849838 -0.5074237 -0.2187670 -0.6480318 -1.9727467 -0.0358259 -0.3487216 -0.1840670 -1.9098495 12 O -1.6806710 0.0000000 -0.4180126 0.0000000 -1.7069770 0.0000000 -0.4305484 0.0000000 -2.7414644 13 O -2.0849838 0.5074237 -0.2187670 0.6480318 -1.9727467 0.0358259 -0.3487216 0.1840670 -1.9098495 14 O -1.6927329 0.3445000 0.0131790 0.5551629 -1.9201386 -0.5148830 0.1554260 -0.5124603 -2.3755742 15 O -2.0849838 0.5074237 -0.2187670 0.6480318 -1.9727467 0.0358259 -0.3487216 0.1840670 -1.9098495 16 O -2.1871187 0.0000000 0.5381872 0.0000000 -2.3966701 0.0000000 0.6116465 0.0000000 -1.3980343 17 O -2.1871187 0.0000000 0.5381872 0.0000000 -2.3966701 0.0000000 0.6116465 0.0000000 -1.3980343 18 O -2.5628883 0.0000000 0.4792505 0.0000000 -2.2942778 0.0000000 0.3676920 0.0000000 -1.2354038 19 O -1.6806710 0.0000000 -0.4180126 0.0000000 -1.7069770 0.0000000 -0.4305484 0.0000000 -2.7414644 20 O -2.0849838 -0.5074237 -0.2187670 -0.6480318 -1.9727467 -0.0358259 -0.3487216 -0.1840670 -1.9098495 21 O -1.6927329 -0.3445000 0.0131790 -0.5551629 -1.9201386 0.5148830 0.1554260 0.5124603 -2.3755742 22 O -2.5628883 0.0000000 0.4792505 0.0000000 -2.2942778 0.0000000 0.3676920 0.0000000 -1.2354038 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (zzz) 0.00000007 (zzz) 0.00000007 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 6 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/156) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.313 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.743 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.354 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.057 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.504 ( 0.000 0.000 0.000) 0.000 9.390 ( 0.000 0.000 0.000) 0.000 9.810 ( 0.000 0.000 0.000) 0.000 10.544 ( 0.000 0.000 0.000) 0.000 10.795 ( 0.000 0.000 0.000) 0.000 10.944 ( 0.000 0.000 0.000) 0.000 11.211 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 0.000 0.000) 0.000 12.034 ( 0.000 0.000 0.000) 0.000 12.264 ( 0.000 0.000 0.000) 0.000 12.481 ( 0.000 0.000 0.000) 0.000 12.769 ( 0.000 0.000 0.000) 0.000 13.007 ( 0.000 0.000 0.000) 0.000 13.594 ( 0.000 0.000 0.000) 0.000 14.130 ( 0.000 0.000 0.000) 0.000 14.630 ( 0.000 0.000 0.000) 0.000 14.664 ( 0.000 0.000 0.000) 0.000 15.151 ( 0.000 0.000 0.000) 0.000 15.530 ( 0.000 0.000 0.000) 0.000 16.686 ( 0.000 0.000 0.000) 0.000 17.133 ( 0.000 0.000 0.000) 0.000 18.402 ( 0.000 0.000 0.000) 0.000 18.486 ( 0.000 0.000 0.000) 0.000 24.761 ( 0.000 0.000 0.000) 0.000 25.009 ( 0.000 0.000 0.000) 0.000 26.699 ( 0.000 0.000 0.000) 0.000 26.771 ( 0.000 0.000 0.000) 0.000 28.096 ( 0.000 0.000 0.000) 0.000 28.262 ( 0.000 0.000 0.000) 0.000 28.273 ( 0.000 0.000 0.000) 0.000 28.312 ( 0.000 0.000 0.000) 0.000 28.792 ( 0.000 0.000 0.000) 0.000 28.946 ( 0.000 0.000 0.000) 0.000 28.974 ( 0.000 0.000 0.000) 0.000 29.861 ( 0.000 0.000 0.000) 0.000 30.211 ( 0.000 0.000 0.000) 0.000 30.798 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/156) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 30.202 0.000 29.233) 42.033 0.842 ( 44.507 0.000 3.377) 44.634 1.141 ( 58.107 0.000 10.533) 59.054 3.114 ( -7.712 0.000 1.993) 7.966 3.260 ( 2.138 0.000 0.749) 2.265 3.894 ( 14.393 0.000 0.572) 14.405 4.299 ( -10.848 0.000 2.004) 11.032 4.516 ( -3.315 0.000 -2.395) 4.089 4.841 ( -0.735 0.000 3.290) 3.371 5.051 ( -5.868 0.000 -2.808) 6.505 5.430 ( 6.486 0.000 -2.482) 6.945 5.431 ( -1.068 0.000 0.823) 1.348 5.669 ( -0.924 0.000 -2.077) 2.273 5.749 ( 0.386 0.000 -1.140) 1.204 5.915 ( 3.057 0.000 -3.426) 4.591 5.947 ( -0.352 0.000 -5.790) 5.801 6.020 ( 1.234 0.000 6.005) 6.131 6.355 ( -12.618 0.000 17.025) 21.191 6.657 ( -9.531 0.000 10.690) 14.322 6.904 ( -2.992 0.000 10.506) 10.924 6.941 ( -4.074 0.000 -10.423) 11.190 7.206 ( 4.268 0.000 -0.625) 4.314 7.341 ( -17.449 0.000 8.048) 19.216 7.792 ( 2.021 0.000 -2.894) 3.529 8.029 ( 3.922 0.000 -6.675) 7.742 8.121 ( -9.276 0.000 12.968) 15.945 8.492 ( 0.636 0.000 -1.915) 2.018 8.631 ( 12.571 0.000 -4.362) 13.306 9.219 ( 12.700 0.000 -44.440) 46.219 9.631 ( 1.996 0.000 -23.580) 23.665 9.921 ( 15.908 0.000 -26.446) 30.862 10.562 ( 1.527 0.000 -4.537) 4.787 10.699 ( -22.589 0.000 -1.742) 22.656 10.780 ( -2.842 0.000 3.284) 4.343 11.164 ( -2.887 0.000 -5.318) 6.051 11.360 ( -8.165 0.000 14.556) 16.690 11.766 ( 14.082 0.000 0.074) 14.082 12.150 ( -4.349 0.000 -14.306) 14.953 12.437 ( -1.489 0.000 -6.383) 6.554 12.695 ( 7.301 0.000 0.439) 7.314 12.844 ( -3.297 0.000 13.621) 14.014 13.146 ( 14.755 0.000 -3.730) 15.219 14.177 ( 1.930 0.000 8.485) 8.702 14.247 ( -17.576 0.000 56.687) 59.350 14.671 ( 1.263 0.000 -1.044) 1.639 15.136 ( -2.325 0.000 3.189) 3.947 15.383 ( -23.468 0.000 76.148) 79.682 15.541 ( 1.573 0.000 -1.357) 2.078 16.584 ( -11.640 0.000 6.908) 13.536 17.202 ( 7.913 0.000 -6.274) 10.098 18.325 ( -5.842 0.000 -6.716) 8.901 18.592 ( -3.993 0.000 -7.088) 8.136 24.997 ( -2.892 0.000 4.644) 5.471 25.198 ( -22.444 0.000 57.399) 61.631 26.715 ( 1.177 0.000 1.558) 1.953 26.860 ( 3.165 0.000 -2.321) 3.925 28.108 ( 1.692 0.000 -1.241) 2.098 28.269 ( 1.065 0.000 -0.599) 1.222 28.298 ( 1.212 0.000 3.788) 3.977 28.694 ( -3.479 0.000 12.296) 12.779 28.805 ( -0.080 0.000 4.343) 4.344 29.018 ( 1.716 0.000 7.778) 7.966 29.676 ( 15.621 0.000 -36.871) 40.044 29.875 ( 0.552 0.000 2.394) 2.457 30.716 ( -7.668 0.000 -3.372) 8.377 31.687 ( 26.788 0.000 -85.282) 89.391 ======================= Grid point 2 (3/156) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 31.773 0.000 25.647) 40.832 1.628 ( 39.374 0.000 3.256) 39.509 2.203 ( 52.373 0.000 7.720) 52.939 2.938 ( -12.048 0.000 0.774) 12.072 3.323 ( 3.216 0.000 4.084) 5.198 4.051 ( -18.225 0.000 4.664) 18.813 4.254 ( 23.441 0.000 1.949) 23.521 4.416 ( -4.933 0.000 -4.217) 6.490 4.863 ( -0.057 0.000 5.866) 5.866 4.973 ( -0.984 0.000 -1.451) 1.753 5.417 ( -1.214 0.000 1.114) 1.648 5.449 ( -5.680 0.000 3.733) 6.796 5.610 ( -2.614 0.000 -6.503) 7.009 5.654 ( -6.638 0.000 -18.748) 19.889 5.846 ( 0.378 0.000 -1.076) 1.140 6.006 ( -6.236 0.000 -2.484) 6.712 6.065 ( 7.720 0.000 1.137) 7.804 6.285 ( -0.566 0.000 7.378) 7.400 6.575 ( -8.522 0.000 5.211) 9.989 6.829 ( -1.160 0.000 -9.300) 9.373 6.850 ( -9.230 0.000 16.468) 18.878 7.122 ( -11.380 0.000 5.896) 12.817 7.239 ( 1.807 0.000 -6.063) 6.327 7.628 ( -13.068 0.000 -1.454) 13.148 8.066 ( -5.733 0.000 13.797) 14.941 8.160 ( 12.080 0.000 -10.151) 15.779 8.495 ( 1.899 0.000 -3.827) 4.272 8.833 ( 10.904 0.000 -1.746) 11.043 9.091 ( -2.009 0.000 -27.668) 27.741 9.586 ( 1.520 0.000 -1.840) 2.386 10.033 ( 11.728 0.000 -17.810) 21.325 10.217 ( -28.945 0.000 1.039) 28.964 10.564 ( 0.996 0.000 -2.264) 2.473 10.740 ( -4.366 0.000 6.164) 7.554 11.066 ( -3.441 0.000 -5.448) 6.443 11.349 ( -4.174 0.000 16.643) 17.158 11.956 ( 6.111 0.000 0.551) 6.135 11.992 ( -2.720 0.000 -14.729) 14.978 12.376 ( 0.030 0.000 -8.438) 8.438 12.800 ( -0.126 0.000 11.383) 11.383 12.871 ( 0.286 0.000 2.910) 2.924 13.428 ( 18.303 0.000 -5.531) 19.120 14.266 ( 0.454 0.000 8.366) 8.378 14.315 ( -5.602 0.000 34.145) 34.602 14.702 ( 3.354 0.000 -2.522) 4.196 15.130 ( -0.220 0.000 3.775) 3.782 15.457 ( -9.256 0.000 41.548) 42.566 15.562 ( 1.609 0.000 -1.205) 2.010 16.408 ( -12.870 0.000 9.799) 16.176 17.289 ( 6.035 0.000 -8.061) 10.069 18.130 ( -8.393 0.000 -12.061) 14.694 18.424 ( -7.403 0.000 -12.826) 14.809 24.968 ( -4.178 0.000 7.065) 8.208 25.140 ( -10.658 0.000 20.324) 22.949 26.755 ( 1.950 0.000 1.906) 2.727 26.911 ( 4.431 0.000 -4.288) 6.167 28.139 ( 2.893 0.000 -2.355) 3.730 28.295 ( 2.198 0.000 -0.459) 2.245 28.357 ( 1.797 0.000 5.974) 6.238 28.723 ( 2.127 0.000 0.694) 2.237 28.843 ( 0.188 0.000 7.554) 7.556 29.113 ( 2.003 0.000 10.083) 10.280 29.757 ( 10.381 0.000 -12.561) 16.296 29.905 ( 0.556 0.000 3.759) 3.800 30.491 ( -13.468 0.000 -6.176) 14.817 31.616 ( 10.480 0.000 -44.827) 46.036 ======================= Grid point 3 (4/156) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 33.211 0.000 20.328) 38.939 2.242 ( 22.955 0.000 0.793) 22.969 2.759 ( -3.042 0.000 -0.794) 3.144 3.091 ( 40.483 0.000 4.574) 40.740 3.421 ( 1.542 0.000 9.510) 9.635 3.737 ( -18.155 0.000 6.944) 19.438 4.298 ( -5.077 0.000 -4.115) 6.535 4.706 ( 22.997 0.000 1.589) 23.052 4.909 ( 0.733 0.000 6.885) 6.924 5.001 ( 4.497 0.000 -0.929) 4.592 5.260 ( -15.635 0.000 7.712) 17.434 5.335 ( -10.000 0.000 -25.973) 27.831 5.401 ( -2.557 0.000 -0.508) 2.607 5.533 ( -3.287 0.000 -3.776) 5.006 5.872 ( -4.650 0.000 -4.939) 6.783 5.883 ( 2.571 0.000 1.546) 3.000 6.201 ( -13.674 0.000 1.716) 13.781 6.202 ( 6.211 0.000 1.200) 6.326 6.463 ( -7.358 0.000 11.265) 13.456 6.787 ( 1.216 0.000 -4.217) 4.389 6.856 ( -3.031 0.000 3.212) 4.416 6.985 ( -4.638 0.000 10.138) 11.149 7.205 ( -0.232 0.000 -8.589) 8.592 7.427 ( -6.531 0.000 -2.323) 6.932 8.090 ( -0.039 0.000 10.600) 10.600 8.266 ( 5.037 0.000 -7.801) 9.286 8.520 ( 4.097 0.000 -5.149) 6.580 8.837 ( -7.375 0.000 -23.186) 24.330 8.977 ( 4.944 0.000 0.541) 4.974 9.630 ( 3.000 0.000 1.336) 3.284 9.706 ( -27.883 0.000 2.190) 27.969 10.116 ( 7.881 0.000 -12.685) 14.934 10.569 ( 0.404 0.000 0.191) 0.447 10.697 ( -4.750 0.000 3.158) 5.704 11.016 ( -0.246 0.000 5.210) 5.216 11.407 ( -0.539 0.000 14.196) 14.206 11.863 ( -1.380 0.000 -15.636) 15.697 11.998 ( -0.892 0.000 -0.615) 1.084 12.328 ( -0.184 0.000 -6.855) 6.858 12.841 ( -0.545 0.000 2.599) 2.656 12.883 ( -1.965 0.000 7.934) 8.173 13.701 ( 14.864 0.000 -5.000) 15.682 14.309 ( 0.199 0.000 4.949) 4.953 14.438 ( -2.800 0.000 26.843) 26.989 14.758 ( 4.114 0.000 -1.179) 4.279 15.186 ( 4.629 0.000 1.618) 4.903 15.552 ( -5.009 0.000 28.272) 28.712 15.588 ( 1.855 0.000 -0.396) 1.897 16.257 ( -11.117 0.000 11.737) 16.166 17.310 ( 1.979 0.000 -8.318) 8.550 17.902 ( -7.142 0.000 -13.709) 15.458 18.182 ( -8.981 0.000 -15.086) 17.556 24.941 ( -3.426 0.000 6.633) 7.466 25.074 ( -6.381 0.000 8.294) 10.465 26.805 ( 2.279 0.000 1.618) 2.795 26.956 ( 3.489 0.000 -4.631) 5.799 28.180 ( 3.346 0.000 -2.905) 4.431 28.341 ( 2.779 0.000 0.215) 2.787 28.434 ( 2.474 0.000 6.141) 6.621 28.769 ( 3.133 0.000 -2.345) 3.914 28.910 ( 1.596 0.000 9.244) 9.380 29.201 ( 1.321 0.000 7.982) 8.090 29.864 ( 3.650 0.000 0.299) 3.663 29.963 ( 5.317 0.000 2.651) 5.941 30.173 ( -16.347 0.000 -8.082) 18.236 31.511 ( 4.163 0.000 -30.750) 31.031 ======================= Grid point 4 (5/156) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -1.201 0.000 -7.265) 7.364 2.892 ( 31.906 0.000 13.612) 34.688 2.932 ( 11.485 0.000 2.269) 11.707 3.337 ( -13.727 0.000 12.895) 18.834 3.672 ( 20.601 0.000 2.649) 20.770 3.701 ( 6.659 0.000 10.228) 12.205 4.185 ( -5.072 0.000 -2.369) 5.598 4.847 ( -8.633 0.000 -4.549) 9.758 4.913 ( -8.249 0.000 -16.141) 18.127 5.026 ( -0.920 0.000 -4.567) 4.659 5.124 ( 7.052 0.000 2.233) 7.397 5.210 ( -1.905 0.000 6.466) 6.741 5.350 ( -3.314 0.000 -1.511) 3.642 5.412 ( 1.892 0.000 2.644) 3.251 5.845 ( 4.694 0.000 -2.150) 5.163 5.941 ( 2.570 0.000 1.196) 2.834 5.996 ( -10.340 0.000 4.300) 11.198 6.298 ( 3.699 0.000 0.652) 3.756 6.321 ( -11.370 0.000 -0.451) 11.379 6.757 ( -6.288 0.000 5.251) 8.192 6.814 ( 2.281 0.000 1.773) 2.889 7.084 ( 5.059 0.000 1.816) 5.375 7.130 ( -1.688 0.000 -9.157) 9.311 7.355 ( -2.026 0.000 2.075) 2.900 8.195 ( 5.513 0.000 7.035) 8.938 8.241 ( -2.430 0.000 -4.130) 4.792 8.574 ( -6.536 0.000 -18.675) 19.785 8.576 ( 5.215 0.000 -5.189) 7.357 9.009 ( -2.329 0.000 1.609) 2.831 9.270 ( -20.436 0.000 1.628) 20.501 9.708 ( 4.886 0.000 0.863) 4.962 10.157 ( 3.774 0.000 -7.649) 8.530 10.565 ( -3.429 0.000 -1.421) 3.712 10.610 ( -2.619 0.000 1.075) 2.831 11.137 ( 4.674 0.000 17.130) 17.756 11.489 ( 1.443 0.000 8.276) 8.401 11.734 ( -1.698 0.000 -17.577) 17.659 11.938 ( -4.676 0.000 -0.247) 4.682 12.290 ( -0.011 0.000 -4.082) 4.082 12.803 ( -2.149 0.000 -3.731) 4.306 12.923 ( -0.487 0.000 9.721) 9.733 13.886 ( 8.363 0.000 -3.215) 8.960 14.338 ( 0.633 0.000 1.893) 1.996 14.532 ( -1.628 0.000 15.586) 15.671 14.834 ( 3.258 0.000 3.875) 5.063 15.309 ( 8.591 0.000 -1.418) 8.708 15.611 ( -4.197 0.000 16.557) 17.081 15.616 ( 0.677 0.000 0.072) 0.681 16.157 ( -7.866 0.000 11.599) 14.015 17.267 ( -0.923 0.000 -6.926) 6.987 17.725 ( -3.813 0.000 -10.264) 10.950 17.939 ( -7.459 0.000 -12.865) 14.871 24.929 ( -1.783 0.000 4.525) 4.864 25.017 ( -3.846 0.000 3.309) 5.074 26.855 ( 2.023 0.000 1.375) 2.446 26.976 ( 1.747 0.000 -3.798) 4.180 28.220 ( 2.867 0.000 -2.494) 3.800 28.389 ( 2.046 0.000 0.746) 2.177 28.517 ( 2.616 0.000 4.782) 5.451 28.800 ( 1.980 0.000 -2.562) 3.238 29.026 ( 4.939 0.000 9.688) 10.874 29.256 ( 0.514 0.000 4.328) 4.358 29.820 ( -16.249 0.000 -9.086) 18.617 29.886 ( -0.962 0.000 2.623) 2.794 30.117 ( 7.339 0.000 4.935) 8.844 31.392 ( 0.912 0.000 -20.650) 20.670 ======================= Grid point 5 (6/156) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 1.288 0.000 -5.708) 5.851 2.930 ( -7.409 0.000 4.864) 8.863 3.358 ( 4.337 0.000 3.711) 5.708 3.441 ( 18.624 0.000 4.935) 19.267 3.892 ( 3.878 0.000 1.943) 4.338 3.918 ( 7.821 0.000 8.997) 11.921 4.093 ( -4.239 0.000 0.557) 4.276 4.599 ( -7.431 0.000 -16.943) 18.501 4.699 ( -0.901 0.000 -5.263) 5.340 4.844 ( -19.705 0.000 5.492) 20.456 5.102 ( 3.393 0.000 5.099) 6.125 5.266 ( -3.601 0.000 -3.301) 4.885 5.455 ( 17.554 0.000 -8.924) 19.692 5.614 ( 2.585 0.000 10.582) 10.893 5.825 ( -4.938 0.000 5.641) 7.497 5.960 ( 2.227 0.000 -2.945) 3.692 5.981 ( 1.076 0.000 0.407) 1.150 6.139 ( -5.556 0.000 -2.408) 6.055 6.344 ( 1.193 0.000 0.175) 1.206 6.699 ( -2.890 0.000 2.667) 3.933 6.877 ( 1.911 0.000 4.027) 4.458 7.043 ( -1.810 0.000 -6.295) 6.550 7.132 ( 0.891 0.000 -0.733) 1.154 7.342 ( -1.301 0.000 1.147) 1.734 8.216 ( 1.711 0.000 2.993) 3.448 8.362 ( 8.032 0.000 3.675) 8.833 8.369 ( -5.669 0.000 -11.346) 12.684 8.589 ( -2.661 0.000 -2.884) 3.924 8.930 ( -3.199 0.000 -0.987) 3.348 9.046 ( -6.123 0.000 1.890) 6.408 9.797 ( 3.247 0.000 0.660) 3.314 10.164 ( 0.908 0.000 -2.719) 2.866 10.463 ( -3.606 0.000 -1.235) 3.812 10.615 ( 0.260 0.000 0.791) 0.832 11.347 ( 4.640 0.000 18.488) 19.061 11.549 ( 1.223 0.000 2.299) 2.604 11.580 ( -2.741 0.000 -17.668) 17.880 11.859 ( -3.077 0.000 0.219) 3.085 12.277 ( 0.254 0.000 -1.251) 1.277 12.748 ( -1.383 0.000 -1.602) 2.116 12.965 ( 0.229 0.000 3.423) 3.431 13.968 ( 2.454 0.000 -1.080) 2.682 14.355 ( 0.329 0.000 0.435) 0.545 14.574 ( -0.496 0.000 4.372) 4.400 14.906 ( 1.427 0.000 3.315) 3.609 15.459 ( 8.587 0.000 -2.525) 8.951 15.588 ( -4.365 0.000 1.260) 4.544 15.616 ( -2.131 0.000 5.127) 5.552 16.119 ( -2.538 0.000 5.323) 5.897 17.214 ( -0.924 0.000 -2.887) 3.031 17.639 ( -0.995 0.000 -3.512) 3.650 17.782 ( -2.918 0.000 -5.335) 6.080 24.930 ( -0.362 0.000 1.700) 1.738 24.980 ( -1.468 0.000 0.774) 1.659 26.890 ( 0.926 0.000 0.795) 1.220 26.976 ( 0.364 0.000 -1.712) 1.751 28.247 ( 1.184 0.000 -1.021) 1.563 28.418 ( 0.637 0.000 0.457) 0.784 28.575 ( 1.174 0.000 1.916) 2.247 28.811 ( 0.633 0.000 -1.135) 1.300 29.216 ( 9.537 0.000 9.577) 13.516 29.277 ( 0.034 0.000 1.257) 1.257 29.488 ( -13.703 0.000 -9.437) 16.638 29.882 ( -0.574 0.000 1.054) 1.201 30.244 ( 3.030 0.000 3.062) 4.307 31.305 ( -0.123 0.000 -7.898) 7.899 ======================= Grid point 11 (7/156) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 0.000 34.138 0.000) 34.138 0.894 ( 0.000 43.346 0.000) 43.346 1.400 ( 0.000 65.030 0.000) 65.030 3.090 ( 0.000 -13.632 0.000) 13.632 3.336 ( 0.000 12.845 0.000) 12.845 3.782 ( 0.000 1.865 0.000) 1.865 4.163 ( 0.000 -21.154 0.000) 21.154 4.538 ( 0.000 -1.584 0.000) 1.584 4.853 ( 0.000 0.859 0.000) 0.859 5.136 ( 0.000 -2.753 0.000) 2.753 5.246 ( 0.000 -4.362 0.000) 4.362 5.419 ( 0.000 -2.284 0.000) 2.284 5.623 ( 0.000 -5.269 0.000) 5.269 5.719 ( 0.000 -4.956 0.000) 4.956 5.974 ( 0.000 -1.834 0.000) 1.834 5.980 ( 0.000 -1.323 0.000) 1.323 6.212 ( 0.000 9.954 0.000) 9.954 6.281 ( 0.000 2.784 0.000) 2.784 6.795 ( 0.000 1.076 0.000) 1.076 6.841 ( 0.000 -0.262 0.000) 0.262 7.077 ( 0.000 1.563 0.000) 1.563 7.223 ( 0.000 -2.246 0.000) 2.246 7.243 ( 0.000 -9.401 0.000) 9.401 7.619 ( 0.000 0.946 0.000) 0.946 7.980 ( 0.000 -2.139 0.000) 2.139 8.085 ( 0.000 4.970 0.000) 4.970 8.313 ( 0.000 8.222 0.000) 8.222 8.519 ( 0.000 1.165 0.000) 1.165 9.415 ( 0.000 2.404 0.000) 2.404 9.792 ( 0.000 -1.536 0.000) 1.536 10.205 ( 0.000 -8.732 0.000) 8.732 10.416 ( 0.000 -10.040 0.000) 10.040 10.830 ( 0.000 3.227 0.000) 3.227 11.009 ( 0.000 4.103 0.000) 4.103 11.282 ( 0.000 5.691 0.000) 5.691 11.474 ( 0.000 -0.391 0.000) 0.391 11.592 ( 0.000 3.985 0.000) 3.985 12.048 ( 0.000 1.318 0.000) 1.318 12.242 ( 0.000 -1.979 0.000) 1.979 12.541 ( 0.000 -15.197 0.000) 15.197 13.160 ( 0.000 5.075 0.000) 5.075 13.178 ( 0.000 9.869 0.000) 9.869 13.642 ( 0.000 4.288 0.000) 4.288 14.096 ( 0.000 -3.219 0.000) 3.219 14.628 ( 0.000 -0.142 0.000) 0.142 14.658 ( 0.000 -0.597 0.000) 0.597 15.507 ( 0.000 -1.904 0.000) 1.904 15.533 ( 0.000 -1.291 0.000) 1.291 17.141 ( 0.000 0.923 0.000) 0.923 17.613 ( 0.000 -7.778 0.000) 7.778 18.456 ( 0.000 4.275 0.000) 4.275 18.509 ( 0.000 2.011 0.000) 2.011 24.775 ( 0.000 1.254 0.000) 1.254 24.988 ( 0.000 -1.886 0.000) 1.886 26.693 ( 0.000 -0.400 0.000) 0.400 26.759 ( 0.000 -1.079 0.000) 1.079 28.203 ( 0.000 -0.696 0.000) 0.696 28.303 ( 0.000 -0.890 0.000) 0.890 28.353 ( 0.000 5.502 0.000) 5.502 28.763 ( 0.000 -2.607 0.000) 2.607 28.961 ( 0.000 1.133 0.000) 1.133 28.979 ( 0.000 0.375 0.000) 0.375 29.874 ( 0.000 1.296 0.000) 1.296 30.173 ( 0.000 -3.394 0.000) 3.394 30.827 ( 0.000 2.568 0.000) 2.568 31.086 ( 0.000 -1.596 0.000) 1.596 ======================= Grid point 12 (8/156) ======================= q-point: ( 0.09 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 18.258 24.830 22.602) 38.219 1.082 ( 21.880 25.820 10.994) 35.585 1.842 ( 39.238 49.099 0.446) 62.853 3.115 ( 1.433 -12.250 3.541) 12.832 3.283 ( -5.220 12.677 -0.991) 13.746 3.869 ( 7.614 -4.832 -0.294) 9.023 4.091 ( -5.585 -15.808 2.601) 16.966 4.507 ( -2.486 -1.017 -3.105) 4.106 4.854 ( -0.067 1.200 1.640) 2.033 5.039 ( -5.518 -0.886 -2.707) 6.210 5.312 ( 2.916 -5.855 0.597) 6.569 5.445 ( 3.002 -2.058 -0.228) 3.647 5.616 ( -2.262 -3.873 1.236) 4.652 5.755 ( 3.572 -4.594 -0.802) 5.874 5.897 ( -4.340 0.107 -2.559) 5.040 5.924 ( -0.659 0.880 -6.433) 6.526 6.231 ( 0.414 11.195 3.845) 11.844 6.340 ( -3.269 0.931 7.046) 7.822 6.617 ( -7.984 -1.101 -0.042) 8.059 6.910 ( -0.896 0.115 3.315) 3.436 7.021 ( -4.320 4.451 -1.817) 6.463 7.178 ( -0.829 -0.758 0.535) 1.244 7.311 ( -4.930 -8.604 0.100) 9.917 7.677 ( 8.232 -6.360 -1.058) 10.456 7.851 ( -7.514 -0.785 -0.319) 7.561 8.136 ( -1.845 0.135 4.993) 5.325 8.499 ( 14.121 2.603 -4.328) 14.997 8.639 ( 13.381 0.888 -2.738) 13.687 9.406 ( -2.663 5.965 -3.156) 7.255 9.698 ( -12.711 1.711 -17.707) 21.864 9.915 ( 2.927 -1.739 -24.530) 24.765 10.403 ( -2.435 -10.896 -0.437) 11.173 10.783 ( -11.156 4.532 1.481) 12.132 10.829 ( -9.882 5.429 -2.847) 11.629 11.133 ( -4.632 0.974 -8.337) 9.587 11.373 ( -6.140 0.296 13.051) 14.426 11.785 ( 10.180 1.207 1.340) 10.338 12.120 ( -1.916 -1.865 -7.548) 8.008 12.375 ( 3.320 -4.752 10.049) 11.601 12.578 ( 4.204 -10.732 7.117) 13.547 12.953 ( -2.361 10.282 -12.080) 16.038 13.254 ( 7.302 7.732 1.816) 10.789 13.943 ( 1.965 -12.204 39.677) 41.558 14.134 ( 1.153 -4.469 6.948) 8.341 14.622 ( -0.050 -0.901 1.030) 1.369 14.837 ( 9.246 -5.452 13.552) 17.287 15.417 ( -5.826 0.235 7.701) 9.660 15.637 ( 4.561 -0.547 1.382) 4.797 17.118 ( -22.861 13.643 9.760) 28.356 17.231 ( -5.716 5.413 -4.874) 9.259 18.354 ( -5.664 3.074 -7.520) 9.904 18.542 ( -0.870 -2.118 -6.909) 7.278 24.925 ( -2.185 -7.187 21.646) 22.912 25.004 ( 1.539 -4.193 5.297) 6.929 26.697 ( 1.751 -0.465 0.046) 1.813 26.825 ( 5.345 -2.107 -2.669) 6.335 28.219 ( 1.526 1.448 0.514) 2.165 28.305 ( 0.554 2.555 -0.441) 2.651 28.362 ( 0.188 4.966 2.362) 5.502 28.771 ( -0.911 -2.029 4.042) 4.614 28.839 ( -8.261 6.479 5.404) 11.808 29.018 ( 0.622 -0.172 7.262) 7.290 29.856 ( -4.265 7.307 -10.681) 13.626 29.901 ( -2.039 4.444 -1.773) 5.201 30.751 ( -6.812 3.139 -3.787) 8.402 31.376 ( 26.206 -17.462 -41.419) 52.031 ======================= Grid point 13 (9/156) ======================= q-point: ( 0.18 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 28.387 8.077 9.336) 30.955 1.689 ( 28.920 10.066 22.354) 37.913 2.613 ( 41.854 31.964 2.945) 52.746 3.124 ( -6.466 12.655 1.162) 14.259 3.221 ( 2.710 -6.810 4.436) 8.567 3.795 ( -14.844 -22.419 5.893) 27.526 4.249 ( 17.603 -0.979 -1.163) 17.668 4.427 ( -2.298 0.797 -2.393) 3.412 4.869 ( -1.059 1.222 2.608) 3.069 4.962 ( 0.238 -0.753 -1.713) 1.886 5.351 ( 1.007 -3.068 1.347) 3.498 5.471 ( -2.615 0.819 0.166) 2.745 5.527 ( -6.835 -5.715 -2.311) 9.205 5.681 ( -6.723 -1.485 -13.821) 15.441 5.884 ( 4.517 3.633 0.398) 5.811 5.924 ( 0.369 -4.832 -2.008) 5.245 6.144 ( -4.474 4.022 -3.865) 7.150 6.362 ( -2.013 6.331 9.276) 11.409 6.553 ( -1.723 -1.212 0.870) 2.279 6.857 ( -5.849 1.301 -3.756) 7.072 6.920 ( -7.443 6.145 11.659) 15.136 7.117 ( -6.203 1.358 1.786) 6.596 7.233 ( 0.561 -3.111 -5.935) 6.725 7.603 ( -11.722 -2.032 -1.647) 12.011 7.913 ( 11.706 -11.397 -5.252) 17.161 8.131 ( -3.252 5.160 10.754) 12.363 8.665 ( 8.597 0.638 -6.757) 10.953 8.850 ( 9.343 4.823 -1.629) 10.640 9.099 ( -13.797 1.789 -26.685) 30.093 9.565 ( 1.265 -1.358 1.750) 2.551 9.914 ( 0.246 -7.986 -8.743) 11.844 10.235 ( -14.232 -3.169 0.266) 14.583 10.574 ( -3.603 3.512 -1.786) 5.339 10.748 ( -4.529 1.023 3.617) 5.885 11.023 ( -2.439 -1.400 -7.205) 7.734 11.380 ( -2.935 0.817 13.274) 13.620 11.887 ( 0.249 -2.832 -2.731) 3.942 12.045 ( 0.196 1.483 -5.330) 5.535 12.370 ( -1.869 -1.043 -1.697) 2.732 12.698 ( 0.621 -9.021 11.364) 14.523 12.934 ( 2.159 6.889 -3.995) 8.251 13.456 ( 13.923 2.304 -1.884) 14.237 14.157 ( 0.436 -9.231 22.025) 23.885 14.220 ( 2.587 -5.969 14.267) 15.680 14.635 ( 1.311 -0.837 -0.739) 1.722 15.040 ( 3.210 -5.214 13.777) 15.076 15.430 ( 0.124 0.567 13.569) 13.581 15.700 ( 1.472 2.876 1.748) 3.673 16.699 ( -23.320 20.346 11.651) 33.069 17.265 ( 4.286 -2.012 -6.063) 7.692 18.165 ( -7.774 3.092 -12.528) 15.065 18.401 ( -6.938 -1.779 -12.574) 14.471 24.936 ( -4.134 -2.767 9.154) 10.418 25.052 ( -3.592 -5.862 11.031) 12.998 26.749 ( 3.208 -0.184 0.672) 3.283 26.889 ( 4.108 -1.892 -3.781) 5.895 28.251 ( 1.903 6.567 -1.240) 6.948 28.329 ( 2.477 3.322 -0.293) 4.154 28.393 ( 0.797 3.374 5.001) 6.086 28.767 ( 0.457 3.036 0.909) 3.202 28.827 ( 0.425 -0.835 6.463) 6.531 29.092 ( 1.450 -1.874 9.702) 9.987 29.796 ( 4.513 3.255 -8.980) 10.564 29.908 ( -0.799 0.284 3.023) 3.139 30.550 ( -11.269 5.263 -6.318) 13.950 31.453 ( 11.073 -13.438 -34.857) 38.964 ======================= Grid point 14 (10/156) ======================= q-point: ( 0.27 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 25.894 -4.269 0.949) 26.261 2.344 ( 27.858 6.904 22.007) 36.167 2.990 ( -2.818 19.558 0.217) 19.761 3.321 ( 12.914 3.811 5.407) 14.510 3.365 ( 21.325 8.281 7.643) 24.119 3.563 ( -12.116 -15.904 8.820) 21.853 4.269 ( -4.960 -1.615 -5.567) 7.629 4.678 ( 17.679 -4.001 3.889) 18.539 4.851 ( 1.635 -1.460 -2.334) 3.201 5.036 ( 5.891 1.715 2.187) 6.513 5.219 ( -14.756 -2.636 -2.165) 15.146 5.376 ( -8.659 0.567 -14.910) 17.251 5.398 ( -0.947 -0.638 -1.377) 1.789 5.519 ( -2.658 2.881 -1.740) 4.289 5.866 ( -3.267 -2.095 -3.850) 5.467 5.952 ( 2.337 2.183 2.407) 4.003 6.173 ( 7.337 -0.689 -3.601) 8.202 6.232 ( -16.116 3.985 3.806) 17.032 6.519 ( -6.013 3.227 7.248) 9.955 6.719 ( -7.291 -2.194 5.608) 9.456 6.956 ( 3.605 5.609 -1.497) 6.833 7.014 ( -5.143 3.363 5.501) 8.247 7.213 ( 0.800 -0.263 -7.379) 7.426 7.402 ( -7.169 -2.096 -2.876) 8.004 8.076 ( 9.529 -10.717 -5.168) 15.243 8.168 ( 0.698 6.675 8.989) 11.218 8.690 ( -11.693 2.860 -14.059) 18.509 8.729 ( 2.472 -3.669 -13.470) 14.178 8.983 ( 4.448 0.763 -1.265) 4.687 9.584 ( -9.339 -5.070 0.446) 10.636 9.690 ( -9.511 0.300 2.676) 9.885 10.142 ( 2.961 0.555 -4.724) 5.603 10.554 ( 0.488 -0.510 0.111) 0.715 10.692 ( -4.573 -0.292 1.759) 4.908 10.972 ( 0.268 -2.241 0.654) 2.350 11.426 ( -0.067 -0.720 9.326) 9.354 11.810 ( -2.960 -2.334 -8.687) 9.470 12.018 ( -2.642 0.656 -0.637) 2.796 12.341 ( 0.226 0.976 -2.204) 2.421 12.765 ( -0.694 -9.053 11.090) 14.333 12.923 ( -0.214 7.079 -4.471) 8.376 13.681 ( 11.606 -2.346 -3.242) 12.276 14.251 ( 2.137 -4.925 5.743) 7.861 14.410 ( 2.964 -4.016 25.208) 25.698 14.658 ( 2.629 -1.744 -3.064) 4.398 15.147 ( 1.767 -4.500 8.190) 9.510 15.569 ( 3.921 1.310 16.186) 16.706 15.716 ( -0.318 5.896 0.645) 5.940 16.417 ( -16.591 14.808 11.767) 25.159 17.270 ( 0.513 -3.480 -6.573) 7.455 17.944 ( -6.816 3.456 -14.009) 15.958 18.166 ( -8.778 -1.439 -14.649) 17.138 24.919 ( -3.060 -1.801 6.712) 7.593 25.029 ( -4.237 -3.688 6.005) 8.223 26.808 ( 2.537 0.261 1.072) 2.767 26.930 ( 3.164 -2.162 -4.160) 5.656 28.273 ( 1.971 7.592 -2.484) 8.227 28.380 ( 2.965 3.395 -0.040) 4.508 28.457 ( 2.317 2.150 5.896) 6.690 28.800 ( 2.926 2.572 -2.078) 4.415 28.896 ( 2.163 -1.120 8.456) 8.800 29.179 ( 1.333 -2.195 9.064) 9.421 29.859 ( 2.644 -0.500 0.008) 2.691 29.887 ( -1.106 -4.297 -1.165) 4.588 30.303 ( -10.333 9.676 -5.411) 15.154 31.390 ( 4.066 -10.820 -26.739) 29.130 ======================= Grid point 15 (11/156) ======================= q-point: ( 0.36 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 9.778 1.731 -5.362) 11.285 2.962 ( 26.017 4.317 16.196) 30.949 3.028 ( 4.423 11.652 2.429) 12.698 3.263 ( -8.614 -5.991 10.201) 14.634 3.642 ( 8.571 -4.373 11.392) 14.912 3.828 ( 16.347 11.246 3.343) 20.122 4.140 ( -5.898 -2.809 -1.912) 6.807 4.721 ( -6.807 -5.991 -9.903) 13.428 4.964 ( 1.357 -0.964 -2.590) 3.078 5.022 ( -2.044 1.399 -17.149) 17.327 5.093 ( -8.331 -6.301 12.037) 15.937 5.231 ( 9.257 3.919 0.590) 10.070 5.339 ( -3.568 0.701 -6.025) 7.037 5.503 ( 1.683 5.134 1.719) 5.669 5.803 ( -0.973 -0.581 -0.257) 1.162 5.962 ( -9.653 2.153 2.508) 10.203 6.035 ( 0.719 0.390 5.361) 5.423 6.263 ( 4.411 0.303 -6.890) 8.186 6.406 ( -8.627 4.798 4.619) 10.899 6.646 ( -5.841 -5.764 6.025) 10.181 6.916 ( -1.227 5.148 -0.947) 5.376 7.067 ( 1.616 -0.774 -1.331) 2.232 7.169 ( 0.119 2.248 -5.729) 6.155 7.330 ( -1.195 -2.122 2.001) 3.152 8.169 ( 3.107 -5.358 -3.595) 7.162 8.267 ( 4.917 6.005 5.690) 9.624 8.427 ( -4.404 -8.153 -13.704) 16.543 8.690 ( -1.093 4.292 -6.625) 7.969 9.013 ( -1.124 0.497 0.481) 1.319 9.245 ( -18.257 -2.355 0.499) 18.415 9.740 ( 4.926 3.155 2.198) 6.249 10.174 ( 2.679 1.118 -3.680) 4.687 10.573 ( 0.251 -0.176 0.395) 0.500 10.585 ( -5.838 -1.180 -1.311) 6.099 11.058 ( 4.260 -5.623 11.664) 13.631 11.473 ( 1.112 -5.252 -0.252) 5.374 11.699 ( -2.976 0.262 -7.678) 8.239 11.943 ( -4.909 -0.228 0.217) 4.919 12.351 ( 1.831 4.794 -0.450) 5.152 12.771 ( -4.872 -5.015 3.926) 8.018 12.924 ( 3.066 3.979 -0.059) 5.023 13.815 ( 5.204 -6.669 -2.344) 8.778 14.315 ( 1.823 -1.908 2.872) 3.900 14.612 ( 3.365 2.900 19.068) 19.579 14.696 ( 3.632 -4.950 -2.666) 6.693 15.219 ( 1.856 -8.243 4.392) 9.523 15.692 ( -1.105 7.185 1.352) 7.395 15.748 ( 4.266 5.964 9.742) 12.194 16.235 ( -11.218 9.199 10.231) 17.752 17.210 ( -2.130 -5.091 -6.172) 8.279 17.765 ( -3.952 3.317 -10.798) 11.967 17.932 ( -7.066 -0.625 -11.971) 13.914 24.912 ( -1.569 -1.418 4.357) 4.843 24.988 ( -3.102 -2.534 2.718) 4.841 26.852 ( 1.571 -0.207 1.084) 1.920 26.952 ( 1.885 -2.081 -3.380) 4.394 28.292 ( 1.697 6.375 -2.176) 6.947 28.430 ( 2.219 3.467 0.494) 4.146 28.536 ( 2.547 1.799 4.373) 5.371 28.832 ( 2.027 2.601 -2.334) 4.040 29.016 ( 5.111 -0.881 8.924) 10.322 29.245 ( 0.574 -1.347 5.992) 6.168 29.726 ( -10.357 -3.822 -5.844) 12.491 29.941 ( 1.565 -0.557 0.631) 1.777 30.183 ( -0.760 7.537 1.536) 7.729 31.286 ( 0.662 -9.774 -18.566) 20.992 ======================= Grid point 16 (12/156) ======================= q-point: ( 0.45 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 2.470 11.746 -3.708) 12.562 3.006 ( -4.705 6.256 4.233) 8.899 3.294 ( 4.069 -4.568 3.030) 6.827 3.468 ( 15.978 2.888 5.199) 17.049 3.865 ( 7.554 -3.003 5.609) 9.876 3.956 ( -2.752 -0.327 3.335) 4.337 4.104 ( 1.580 4.186 4.625) 6.434 4.492 ( -6.307 -2.783 -14.363) 15.932 4.798 ( -5.957 3.065 -5.720) 8.809 4.935 ( -11.221 7.351 2.259) 13.604 5.052 ( 4.844 -4.034 4.709) 7.868 5.229 ( -4.415 -4.515 -4.631) 7.831 5.461 ( 12.280 -0.650 -5.446) 13.449 5.610 ( 4.109 0.013 6.399) 7.604 5.807 ( -0.611 -2.562 -0.991) 2.815 5.837 ( -4.975 1.353 3.440) 6.198 6.089 ( -0.472 -0.113 2.630) 2.674 6.228 ( 0.183 8.565 -3.537) 9.268 6.365 ( 0.012 1.509 0.597) 1.623 6.572 ( -4.318 -9.532 2.278) 10.710 6.918 ( 0.662 1.842 1.132) 2.261 7.030 ( -1.503 -1.276 -3.739) 4.227 7.156 ( 0.200 2.019 -1.147) 2.330 7.332 ( -0.542 -0.959 0.940) 1.448 8.196 ( 2.786 -1.589 2.296) 3.944 8.305 ( -2.216 -4.483 -8.745) 10.074 8.417 ( 5.694 4.196 3.197) 7.762 8.622 ( -3.100 2.504 -2.858) 4.904 8.942 ( -4.493 0.955 -1.117) 4.727 9.041 ( -4.526 -0.526 1.280) 4.733 9.837 ( 3.386 3.887 1.135) 5.279 10.187 ( 0.725 2.083 -1.516) 2.676 10.467 ( -3.777 0.178 -1.421) 4.039 10.596 ( 0.425 -1.724 0.672) 1.899 11.234 ( 4.768 -8.573 15.163) 18.059 11.417 ( -2.395 -10.671 -13.379) 17.280 11.643 ( -0.602 4.273 -0.159) 4.319 11.871 ( -2.486 -0.208 0.280) 2.511 12.392 ( 1.956 9.581 0.380) 9.786 12.690 ( -3.523 -4.040 -0.213) 5.364 12.985 ( 1.934 2.383 1.149) 3.276 13.855 ( 0.986 -9.382 -0.731) 9.462 14.348 ( 0.589 -0.399 0.782) 1.057 14.719 ( 1.539 7.935 0.847) 8.127 14.769 ( 2.086 -6.702 5.568) 8.959 15.263 ( 0.785 -13.025 1.461) 13.131 15.670 ( -0.623 9.987 -0.685) 10.030 15.852 ( 1.695 9.639 3.520) 10.401 16.144 ( -4.022 4.502 4.939) 7.800 17.142 ( -1.478 -6.659 -2.911) 7.416 17.673 ( -1.168 2.806 -4.002) 5.025 17.788 ( -2.652 0.440 -4.607) 5.334 24.914 ( -0.308 -1.325 1.638) 2.129 24.957 ( -1.267 -2.022 0.648) 2.473 26.877 ( 0.569 -1.029 0.549) 1.297 26.958 ( 0.571 -1.632 -1.394) 2.221 28.305 ( 0.664 5.320 -0.859) 5.430 28.461 ( 0.828 3.671 0.302) 3.775 28.591 ( 1.124 1.499 1.692) 2.524 28.845 ( 0.626 2.601 -1.011) 2.860 29.187 ( 7.558 -2.679 6.886) 10.570 29.273 ( -0.840 -1.186 3.259) 3.569 29.487 ( -9.162 1.867 -7.931) 12.261 29.946 ( -0.481 3.459 0.481) 3.525 30.226 ( 1.609 -0.096 2.274) 2.787 31.204 ( -0.234 -9.363 -7.158) 11.788 ======================= Grid point 22 (13/156) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.000 34.451 0.000) 34.451 1.798 ( 0.000 43.631 0.000) 43.631 2.574 ( 0.000 21.680 0.000) 21.680 2.754 ( 0.000 6.149 0.000) 6.149 3.505 ( 0.000 -33.990 0.000) 33.990 3.575 ( 0.000 6.393 0.000) 6.393 3.925 ( 0.000 5.759 0.000) 5.759 4.456 ( 0.000 -8.180 0.000) 8.180 4.872 ( 0.000 1.789 0.000) 1.789 5.052 ( 0.000 -4.837 0.000) 4.837 5.192 ( 0.000 -0.935 0.000) 0.935 5.376 ( 0.000 0.311 0.000) 0.311 5.451 ( 0.000 -10.646 0.000) 10.646 5.614 ( 0.000 -5.744 0.000) 5.744 5.932 ( 0.000 -1.260 0.000) 1.260 5.953 ( 0.000 -1.232 0.000) 1.232 6.381 ( 0.000 6.426 0.000) 6.426 6.425 ( 0.000 9.323 0.000) 9.323 6.777 ( 0.000 -2.923 0.000) 2.923 6.794 ( 0.000 -5.174 0.000) 5.174 7.044 ( 0.000 -5.059 0.000) 5.059 7.150 ( 0.000 -4.692 0.000) 4.692 7.169 ( 0.000 5.974 0.000) 5.974 7.531 ( 0.000 -8.473 0.000) 8.473 8.051 ( 0.000 7.116 0.000) 7.116 8.187 ( 0.000 3.393 0.000) 3.393 8.474 ( 0.000 6.479 0.000) 6.479 8.543 ( 0.000 1.092 0.000) 1.092 9.493 ( 0.000 5.270 0.000) 5.270 9.751 ( 0.000 -3.057 0.000) 3.057 10.020 ( 0.000 -6.714 0.000) 6.714 10.192 ( 0.000 -10.616 0.000) 10.616 10.918 ( 0.000 4.878 0.000) 4.878 11.056 ( 0.000 -0.023 0.000) 0.023 11.395 ( 0.000 4.416 0.000) 4.416 11.470 ( 0.000 -0.155 0.000) 0.155 11.717 ( 0.000 8.137 0.000) 8.137 12.076 ( 0.000 0.450 0.000) 0.450 12.193 ( 0.000 -2.482 0.000) 2.482 12.230 ( 0.000 -13.319 0.000) 13.319 13.285 ( 0.000 6.201 0.000) 6.201 13.341 ( 0.000 5.296 0.000) 5.296 13.749 ( 0.000 5.659 0.000) 5.659 14.002 ( 0.000 -5.641 0.000) 5.641 14.626 ( 0.000 -0.007 0.000) 0.007 14.643 ( 0.000 -0.745 0.000) 0.745 15.469 ( 0.000 -1.295 0.000) 1.295 15.498 ( 0.000 -1.932 0.000) 1.932 17.179 ( 0.000 3.002 0.000) 3.002 17.432 ( 0.000 -8.765 0.000) 8.765 18.540 ( 0.000 3.177 0.000) 3.177 18.555 ( 0.000 1.968 0.000) 1.968 24.813 ( 0.000 2.382 0.000) 2.382 24.936 ( 0.000 -3.020 0.000) 3.020 26.689 ( 0.000 0.146 0.000) 0.146 26.731 ( 0.000 -1.529 0.000) 1.529 28.210 ( 0.000 1.155 0.000) 1.155 28.277 ( 0.000 -1.533 0.000) 1.533 28.475 ( 0.000 5.963 0.000) 5.963 28.692 ( 0.000 -4.162 0.000) 4.162 28.983 ( 0.000 0.856 0.000) 0.856 28.988 ( 0.000 0.442 0.000) 0.442 29.917 ( 0.000 2.803 0.000) 2.803 30.085 ( 0.000 -4.708 0.000) 4.708 30.894 ( 0.000 3.660 0.000) 3.660 31.039 ( 0.000 -2.877 0.000) 2.877 ======================= Grid point 23 (14/156) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 11.972 29.788 17.535) 36.581 1.783 ( -0.915 38.419 4.573) 38.701 2.709 ( 8.514 -12.835 3.575) 15.812 2.892 ( 17.267 34.806 0.482) 38.857 3.369 ( -12.642 -29.889 3.261) 32.616 3.576 ( 0.107 4.658 -4.025) 6.157 4.016 ( 10.010 4.630 -1.207) 11.095 4.448 ( 0.041 -6.156 -3.611) 7.137 4.886 ( 1.988 2.402 0.366) 3.139 5.040 ( -3.714 1.292 0.660) 3.987 5.203 ( 3.716 -5.768 0.369) 6.871 5.379 ( 0.961 -1.862 0.555) 2.167 5.466 ( -0.774 -9.454 -0.289) 9.490 5.647 ( 2.716 -6.050 0.998) 6.707 5.892 ( -3.576 0.774 0.807) 3.747 5.945 ( -0.803 0.211 -0.056) 0.832 6.381 ( -3.397 5.617 0.577) 6.590 6.461 ( 2.012 7.274 2.692) 8.013 6.610 ( -7.246 -0.106 -6.480) 9.721 6.854 ( 2.024 -6.457 -0.546) 6.789 7.052 ( 2.973 -4.649 -7.242) 9.105 7.113 ( -2.660 -3.131 1.160) 4.269 7.202 ( -0.024 4.417 2.580) 5.115 7.541 ( 0.078 -8.338 2.667) 8.754 7.993 ( -7.402 10.995 -4.082) 13.869 8.166 ( 5.055 2.424 -2.360) 6.083 8.531 ( 1.224 0.384 -3.388) 3.623 8.645 ( 12.181 -1.506 -0.451) 12.282 9.499 ( -1.040 4.181 2.498) 4.980 9.667 ( -10.993 -3.448 -7.375) 13.679 9.874 ( -5.933 -0.016 -6.921) 9.116 10.170 ( -3.963 -11.264 1.838) 12.081 10.868 ( -6.096 4.075 1.022) 7.403 10.938 ( -10.905 2.957 -3.870) 11.943 11.219 ( -7.891 6.091 -13.569) 16.837 11.368 ( -4.907 -0.768 4.181) 6.492 11.818 ( 5.246 2.406 2.657) 6.353 12.052 ( -1.018 -5.850 -7.775) 9.783 12.283 ( 2.879 -2.636 14.322) 14.844 12.382 ( 4.040 -6.875 17.694) 19.408 13.183 ( -0.969 10.920 -14.581) 18.243 13.386 ( 3.352 3.625 1.906) 5.293 13.850 ( 3.838 0.328 14.826) 15.318 14.013 ( 0.181 -6.473 3.993) 7.608 14.637 ( 1.020 1.877 2.948) 3.641 14.758 ( 6.930 -3.343 7.957) 11.069 15.434 ( -2.030 1.756 4.549) 5.282 15.582 ( 5.536 -3.969 0.250) 6.816 17.195 ( 0.651 1.720 0.892) 2.044 17.301 ( -13.546 -1.267 3.311) 14.002 18.437 ( -6.149 4.163 -7.824) 10.787 18.524 ( -2.949 -0.302 -7.317) 7.895 24.854 ( 0.276 -0.267 8.216) 8.225 24.939 ( 0.056 -3.029 1.292) 3.294 26.701 ( 2.242 0.847 -0.618) 2.475 26.777 ( 4.466 -2.410 -1.869) 5.408 28.247 ( 3.516 1.689 1.367) 4.133 28.315 ( 3.742 -0.851 0.093) 3.839 28.481 ( 0.204 5.991 1.137) 6.101 28.702 ( 0.629 -4.212 1.610) 4.553 28.932 ( -4.247 3.009 1.840) 5.521 29.007 ( -0.646 -0.920 4.991) 5.116 29.917 ( -0.855 2.353 1.204) 2.778 29.989 ( -6.822 1.017 -1.647) 7.091 30.836 ( -4.302 4.897 -5.085) 8.267 31.107 ( 10.755 -9.357 -16.897) 22.107 ======================= Grid point 24 (15/156) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 8.430 24.251 5.138) 26.184 2.017 ( 19.304 19.964 23.307) 36.255 2.891 ( 7.184 -18.680 11.185) 22.927 3.157 ( -10.476 -27.279 4.975) 29.642 3.316 ( 23.977 26.880 1.014) 36.035 3.545 ( 0.091 13.919 -3.740) 14.413 4.228 ( 12.742 -0.201 -4.644) 13.563 4.419 ( -0.462 -2.730 -0.298) 2.785 4.933 ( -1.967 5.353 -1.368) 5.865 4.975 ( 2.496 2.675 1.489) 3.949 5.302 ( 3.587 -4.634 3.737) 6.951 5.373 ( -6.825 -9.047 -3.329) 11.811 5.417 ( 3.067 -1.936 -6.588) 7.521 5.679 ( -0.088 -2.949 -0.120) 2.952 5.822 ( -4.465 -0.136 -0.798) 4.537 5.944 ( 0.434 0.641 0.920) 1.202 6.235 ( -6.644 4.921 -5.345) 9.845 6.438 ( -7.150 -1.522 5.486) 9.140 6.571 ( 1.858 4.484 0.372) 4.868 6.843 ( -3.810 -3.563 0.696) 5.263 7.056 ( -3.140 4.340 2.419) 5.878 7.103 ( 6.762 -5.568 -7.304) 11.405 7.186 ( -2.455 5.150 -0.209) 5.709 7.516 ( -5.712 -6.944 -0.795) 9.027 7.869 ( 1.153 7.742 -8.545) 11.588 8.267 ( 3.518 5.639 5.206) 8.443 8.529 ( 3.205 -8.518 -11.554) 14.708 8.808 ( 5.187 -9.142 -5.452) 11.841 9.256 ( -16.412 10.829 -8.928) 21.595 9.544 ( -0.865 -1.655 2.427) 3.062 9.793 ( -5.069 -1.732 1.738) 5.631 10.078 ( -6.762 -9.930 5.590) 13.251 10.697 ( -7.971 5.998 -3.414) 10.543 10.776 ( -6.162 1.196 0.423) 6.291 11.060 ( -2.203 4.999 -10.626) 11.948 11.338 ( -1.001 -4.770 0.294) 4.882 11.873 ( -1.878 1.512 4.791) 5.363 12.026 ( -0.331 -3.273 1.100) 3.469 12.344 ( -2.007 -0.425 7.502) 7.777 12.507 ( -0.457 -8.150 12.523) 14.949 13.136 ( 3.657 11.690 -11.641) 16.898 13.486 ( 6.900 -0.836 -0.899) 7.008 14.027 ( 4.647 -3.296 12.477) 13.716 14.084 ( 4.491 -5.988 10.329) 12.756 14.683 ( 1.542 4.526 3.306) 5.813 14.927 ( 4.066 -5.846 11.361) 13.408 15.471 ( 1.831 3.395 8.261) 9.117 15.674 ( 3.813 -4.098 1.885) 5.906 17.026 ( -17.687 10.291 7.097) 21.658 17.219 ( 0.097 -2.319 -1.697) 2.875 18.243 ( -7.701 4.003 -12.901) 15.548 18.363 ( -7.343 -1.820 -12.625) 14.718 24.886 ( -2.190 -1.248 7.696) 8.098 24.953 ( -0.700 -3.762 3.587) 5.245 26.758 ( 3.924 1.049 -0.668) 4.116 26.841 ( 3.870 -2.556 -2.727) 5.380 28.339 ( 5.030 2.925 1.636) 6.044 28.391 ( 4.372 1.372 -0.842) 4.659 28.497 ( 0.235 6.264 2.757) 6.848 28.738 ( 2.031 -4.273 2.544) 5.372 28.887 ( -1.759 4.491 3.361) 5.878 29.040 ( 0.058 -3.015 8.028) 8.576 29.865 ( -2.281 2.946 -3.310) 4.984 29.914 ( -3.109 0.197 1.503) 3.458 30.693 ( -6.482 8.300 -7.739) 13.069 31.154 ( 7.043 -14.059 -20.764) 26.046 ======================= Grid point 25 (16/156) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 16.214 9.325 1.155) 18.740 2.545 ( 21.747 12.016 23.132) 33.947 2.978 ( -5.768 -23.202 9.585) 25.758 3.189 ( 9.552 -14.679 13.432) 22.072 3.519 ( -0.081 23.082 1.784) 23.151 3.760 ( 21.224 16.144 -1.211) 26.694 4.259 ( -3.407 0.637 -5.702) 6.673 4.524 ( 6.253 -10.001 4.896) 12.770 4.879 ( 1.613 2.705 -5.014) 5.921 5.074 ( -1.291 -1.619 4.977) 5.391 5.154 ( -5.114 1.029 -10.860) 12.048 5.355 ( -2.240 -3.001 -13.100) 13.625 5.396 ( 2.088 2.490 -0.059) 3.250 5.667 ( -3.033 9.002 2.740) 9.887 5.753 ( -0.038 -8.275 -0.463) 8.288 5.933 ( -2.609 -2.501 2.329) 4.299 6.192 ( 4.349 1.980 -3.657) 6.018 6.311 ( -9.956 0.570 1.534) 10.090 6.567 ( -3.707 3.406 3.723) 6.262 6.724 ( -10.897 0.350 7.256) 13.096 7.062 ( 2.366 4.715 -1.844) 5.589 7.115 ( -4.339 5.057 -2.768) 7.216 7.174 ( 4.506 -2.137 -4.942) 7.021 7.351 ( -7.634 -3.065 -3.930) 9.117 7.932 ( 9.085 -1.142 -6.243) 11.082 8.350 ( 2.120 6.731 5.607) 9.014 8.422 ( -5.003 -13.008 -19.213) 23.735 8.762 ( -3.203 -4.755 0.422) 5.748 9.084 ( -1.650 8.856 -3.260) 9.580 9.443 ( -12.108 -7.783 -1.996) 14.531 9.746 ( -0.203 5.074 7.470) 9.033 10.070 ( 0.779 -7.267 7.624) 10.561 10.590 ( -2.343 3.590 -3.298) 5.409 10.686 ( -4.395 -0.547 -0.302) 4.439 10.984 ( -0.486 3.875 -5.903) 7.078 11.318 ( 0.354 -8.644 -5.579) 10.294 11.834 ( -5.632 3.890 6.104) 9.171 11.999 ( -4.743 -2.471 3.517) 6.401 12.365 ( 1.350 1.700 3.944) 4.502 12.574 ( 1.110 -8.391 9.315) 12.586 13.123 ( 1.689 11.667 -9.100) 14.893 13.588 ( 5.215 -7.130 -3.802) 9.617 14.166 ( 5.318 -1.863 6.876) 8.890 14.295 ( 7.830 -5.789 14.061) 17.103 14.732 ( 1.805 6.615 3.314) 7.616 15.031 ( 0.396 -6.373 8.755) 10.836 15.600 ( 5.063 2.123 11.731) 12.952 15.745 ( 2.049 -2.224 4.481) 5.406 16.760 ( -15.820 15.670 5.533) 22.944 17.177 ( -3.306 -5.569 -3.111) 7.185 18.021 ( -6.948 3.561 -14.064) 16.086 18.130 ( -8.417 -1.957 -14.054) 16.498 24.886 ( -2.093 -0.891 5.538) 5.987 24.949 ( -2.079 -3.566 3.494) 5.408 26.818 ( 2.728 0.764 -0.134) 2.836 26.881 ( 2.684 -2.274 -2.989) 4.617 28.423 ( 2.875 5.174 0.233) 5.924 28.456 ( 3.481 3.071 -0.942) 4.737 28.530 ( 1.449 5.623 3.807) 6.944 28.800 ( 3.042 -3.901 1.313) 5.118 28.918 ( 2.289 4.028 4.828) 6.691 29.111 ( 1.394 -4.236 9.606) 10.590 29.831 ( -3.082 -0.989 -2.710) 4.222 29.846 ( -1.468 -0.697 -0.299) 1.653 30.529 ( -6.126 11.971 -6.682) 15.016 31.110 ( 2.192 -15.056 -18.634) 24.057 ======================= Grid point 26 (17/156) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 17.553 4.787 -0.772) 18.210 2.936 ( 2.174 -14.486 12.207) 19.068 3.100 ( 17.602 6.246 12.614) 22.538 3.425 ( 3.978 4.860 6.005) 8.689 3.577 ( 6.699 9.845 10.208) 15.685 4.015 ( 0.862 3.475 1.705) 3.965 4.160 ( 0.193 6.257 1.018) 6.342 4.597 ( 1.215 -8.332 -1.646) 8.579 4.861 ( -7.321 -6.357 -2.552) 10.025 4.976 ( 5.971 -4.794 -8.563) 11.487 5.072 ( -5.281 4.181 -10.008) 12.064 5.251 ( -0.640 -2.531 -4.123) 4.880 5.427 ( 0.206 7.609 -1.903) 7.846 5.606 ( -1.940 4.584 -1.903) 5.329 5.792 ( 1.084 -0.519 3.325) 3.536 5.958 ( 3.212 -6.448 7.010) 10.051 6.088 ( -12.435 7.962 1.646) 14.857 6.279 ( 5.292 -0.480 -4.521) 6.977 6.497 ( -6.650 3.675 2.321) 7.944 6.567 ( -10.367 -1.504 4.573) 11.430 6.996 ( -3.889 2.482 -5.578) 7.238 7.052 ( -2.374 -0.852 -3.599) 4.395 7.201 ( 1.464 1.132 -2.483) 3.097 7.284 ( 0.480 -2.124 0.875) 2.347 8.068 ( 8.379 -3.071 -3.958) 9.763 8.229 ( -1.302 -9.199 -12.312) 15.424 8.442 ( 3.055 9.038 6.155) 11.354 8.723 ( -2.730 -1.713 -0.312) 3.238 9.040 ( -1.818 2.314 -2.367) 3.777 9.180 ( -13.393 -3.630 -1.493) 13.956 9.842 ( 5.031 6.675 5.451) 9.979 10.156 ( 2.920 -4.150 6.173) 7.991 10.542 ( -2.066 -0.165 -2.122) 2.966 10.598 ( -4.003 0.208 -2.394) 4.669 10.981 ( 1.703 -0.457 1.888) 2.584 11.272 ( -0.212 -11.403 -10.258) 15.339 11.768 ( -4.719 4.534 4.509) 7.947 11.914 ( -5.848 -2.377 2.215) 6.690 12.445 ( 4.250 4.085 4.436) 7.378 12.651 ( 0.808 -5.597 6.658) 8.736 13.094 ( 1.158 11.333 -6.750) 13.242 13.623 ( 1.560 -11.403 -3.571) 12.051 14.292 ( 4.072 0.698 4.554) 6.148 14.490 ( 5.676 -7.049 6.794) 11.317 14.806 ( 3.902 6.899 4.898) 9.318 15.059 ( -1.528 -6.608 4.750) 8.280 15.754 ( 3.551 1.450 6.826) 7.830 15.834 ( 3.699 1.067 11.547) 12.172 16.527 ( -12.331 16.397 1.739) 20.590 17.067 ( -5.414 -8.764 -5.295) 11.583 17.836 ( -4.442 3.108 -10.794) 12.079 17.915 ( -6.149 -1.013 -10.477) 12.190 24.884 ( -1.223 -0.886 3.569) 3.876 24.928 ( -1.955 -2.791 2.088) 3.996 26.851 ( 0.977 0.256 0.212) 1.032 26.904 ( 1.768 -2.217 -2.340) 3.676 28.448 ( 0.474 7.348 -0.289) 7.369 28.507 ( 2.601 3.322 -0.193) 4.223 28.589 ( 2.287 3.601 2.706) 5.051 28.846 ( 1.633 -3.225 -0.764) 3.694 29.023 ( 4.793 2.840 6.601) 8.638 29.194 ( 1.394 -3.447 7.444) 8.321 29.704 ( -6.207 1.543 -4.671) 7.920 29.873 ( 2.177 -4.822 0.593) 5.324 30.402 ( -4.214 12.707 -3.323) 13.794 31.019 ( -0.533 -15.105 -13.662) 20.374 ======================= Grid point 27 (18/156) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 8.834 10.210 0.213) 13.503 3.045 ( 3.813 -5.498 4.371) 7.992 3.303 ( -0.732 7.130 -0.147) 7.169 3.548 ( 6.799 2.232 5.207) 8.850 3.777 ( 4.733 -2.000 1.500) 5.352 3.924 ( -4.347 -1.373 8.761) 9.876 4.252 ( 2.676 8.480 4.872) 10.140 4.522 ( -3.285 4.702 -11.924) 13.231 4.821 ( -1.173 -11.596 12.429) 17.039 4.880 ( -0.114 1.041 -14.213) 14.252 5.047 ( -0.588 -0.984 -2.110) 2.402 5.179 ( -4.048 1.233 -4.360) 6.076 5.445 ( 4.708 0.458 -0.527) 4.760 5.572 ( -1.785 -2.927 -1.126) 3.609 5.848 ( 2.385 4.302 3.836) 6.238 5.932 ( -5.118 7.434 1.475) 9.145 6.066 ( 2.647 -2.450 1.361) 3.855 6.306 ( -2.479 -7.514 0.323) 7.920 6.376 ( -2.844 2.995 4.178) 5.874 6.442 ( -3.794 0.385 -5.234) 6.476 6.931 ( -1.017 -0.080 -1.280) 1.637 6.990 ( -1.547 -2.459 -2.018) 3.537 7.206 ( 0.296 2.667 -0.522) 2.733 7.304 ( 0.512 -1.753 0.276) 1.847 8.164 ( 4.251 -1.134 0.614) 4.442 8.213 ( 1.940 -3.756 -5.361) 6.828 8.525 ( 2.138 5.628 3.228) 6.832 8.661 ( -2.460 0.493 -1.170) 2.768 8.964 ( -5.085 1.181 -1.374) 5.398 9.022 ( -2.182 -1.263 -0.157) 2.527 9.957 ( 3.633 7.610 2.516) 8.800 10.225 ( 1.319 0.020 2.201) 2.566 10.465 ( -3.358 -0.063 -1.622) 3.730 10.552 ( -0.472 -2.339 -0.920) 2.558 11.061 ( 3.118 -6.545 8.430) 11.118 11.179 ( -2.289 -10.530 -11.478) 15.744 11.731 ( -1.526 3.845 1.728) 4.483 11.842 ( -2.585 -2.108 0.723) 3.413 12.560 ( 5.125 4.592 3.740) 7.832 12.653 ( -3.234 0.560 0.394) 3.306 13.091 ( 1.245 8.607 -2.050) 8.935 13.616 ( -0.136 -13.187 -1.405) 13.262 14.358 ( 1.216 2.028 1.403) 2.750 14.580 ( 1.835 -7.366 1.378) 7.716 14.906 ( 2.996 4.786 2.640) 6.233 15.049 ( -1.284 -7.024 1.548) 7.306 15.820 ( 0.971 5.609 3.118) 6.490 15.974 ( 3.076 1.910 6.545) 7.480 16.359 ( -5.564 14.650 -0.687) 15.686 16.950 ( -3.049 -11.514 -3.542) 12.427 17.736 ( -1.439 2.849 -4.021) 5.133 17.794 ( -2.174 -0.037 -3.676) 4.271 24.886 ( -0.284 -1.095 1.353) 1.763 24.910 ( -0.862 -2.172 0.570) 2.406 26.861 ( 0.202 -0.173 0.101) 0.284 26.916 ( 0.594 -2.235 -0.847) 2.463 28.449 ( -0.005 7.844 -0.116) 7.845 28.541 ( 1.062 3.356 -0.003) 3.520 28.633 ( 1.073 2.579 1.039) 2.980 28.856 ( 0.225 -3.404 -0.585) 3.461 29.142 ( 3.556 0.214 3.915) 5.294 29.239 ( -0.115 -1.871 2.719) 3.303 29.584 ( -3.142 6.715 -3.499) 8.198 29.909 ( 0.978 -6.530 0.669) 6.637 30.340 ( -1.408 10.830 -0.644) 10.940 30.943 ( -0.669 -14.983 -5.325) 15.915 ======================= Grid point 33 (19/156) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 0.000 -30.995 0.000) 30.995 2.094 ( 0.000 30.995 0.000) 30.995 2.689 ( 0.000 -41.614 0.000) 41.614 2.689 ( 0.000 41.614 0.000) 41.614 3.461 ( 0.000 -20.771 0.000) 20.771 3.461 ( 0.000 20.771 0.000) 20.771 4.161 ( 0.000 -16.691 0.000) 16.691 4.161 ( 0.000 16.691 0.000) 16.691 4.950 ( 0.000 -4.873 0.000) 4.873 4.950 ( 0.000 4.873 0.000) 4.873 5.245 ( 0.000 -7.322 0.000) 7.322 5.245 ( 0.000 7.322 0.000) 7.322 5.469 ( 0.000 -7.253 0.000) 7.253 5.469 ( 0.000 7.253 0.000) 7.253 5.931 ( 0.000 -0.796 0.000) 0.796 5.931 ( 0.000 0.796 0.000) 0.796 6.513 ( 0.000 -3.693 0.000) 3.693 6.513 ( 0.000 3.693 0.000) 3.693 6.707 ( 0.000 -1.313 0.000) 1.313 6.707 ( 0.000 1.313 0.000) 1.313 7.050 ( 0.000 -4.002 0.000) 4.002 7.050 ( 0.000 4.002 0.000) 4.002 7.335 ( 0.000 -9.374 0.000) 9.374 7.335 ( 0.000 9.374 0.000) 9.374 8.181 ( 0.000 -4.039 0.000) 4.039 8.181 ( 0.000 4.039 0.000) 4.039 8.553 ( 0.000 -0.991 0.000) 0.991 8.553 ( 0.000 0.991 0.000) 0.991 9.631 ( 0.000 -7.484 0.000) 7.484 9.631 ( 0.000 7.484 0.000) 7.484 10.013 ( 0.000 -5.565 0.000) 5.565 10.013 ( 0.000 5.565 0.000) 5.565 11.013 ( 0.000 -3.751 0.000) 3.751 11.013 ( 0.000 3.751 0.000) 3.751 11.456 ( 0.000 -1.541 0.000) 1.541 11.456 ( 0.000 1.541 0.000) 1.541 11.923 ( 0.000 -11.381 0.000) 11.381 11.923 ( 0.000 11.381 0.000) 11.381 12.147 ( 0.000 -1.717 0.000) 1.717 12.147 ( 0.000 1.717 0.000) 1.717 13.378 ( 0.000 -1.842 0.000) 1.842 13.378 ( 0.000 1.842 0.000) 1.842 13.874 ( 0.000 -6.318 0.000) 6.318 13.874 ( 0.000 6.318 0.000) 6.318 14.630 ( 0.000 -0.413 0.000) 0.413 14.630 ( 0.000 0.413 0.000) 0.413 15.465 ( 0.000 -0.913 0.000) 0.913 15.465 ( 0.000 0.913 0.000) 0.913 17.274 ( 0.000 -6.164 0.000) 6.164 17.274 ( 0.000 6.164 0.000) 6.164 18.576 ( 0.000 -0.239 0.000) 0.239 18.576 ( 0.000 0.239 0.000) 0.239 24.871 ( 0.000 -3.107 0.000) 3.107 24.871 ( 0.000 3.107 0.000) 3.107 26.702 ( 0.000 -1.097 0.000) 1.097 26.702 ( 0.000 1.097 0.000) 1.097 28.242 ( 0.000 -1.768 0.000) 1.768 28.242 ( 0.000 1.768 0.000) 1.768 28.593 ( 0.000 -5.277 0.000) 5.277 28.593 ( 0.000 5.277 0.000) 5.277 28.993 ( 0.000 -0.070 0.000) 0.070 28.993 ( 0.000 0.070 0.000) 0.070 29.990 ( 0.000 -4.210 0.000) 4.210 29.990 ( 0.000 4.210 0.000) 4.210 30.971 ( 0.000 -3.626 0.000) 3.626 30.971 ( 0.000 3.626 0.000) 3.626 ======================= Grid point 35 (20/156) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 7.258 -28.322 10.345) 31.014 2.194 ( 7.258 28.322 10.345) 31.014 2.603 ( -9.370 -39.503 3.872) 40.783 2.603 ( -9.370 39.503 3.872) 40.783 3.530 ( 8.673 -15.334 -4.554) 18.196 3.530 ( 8.673 15.334 -4.554) 18.196 4.213 ( 5.594 -14.047 -1.943) 15.244 4.213 ( 5.594 14.047 -1.943) 15.244 4.983 ( 3.310 -6.570 1.530) 7.514 4.983 ( 3.310 6.570 1.530) 7.514 5.219 ( -2.764 -8.968 0.363) 9.391 5.219 ( -2.764 8.968 0.363) 9.391 5.492 ( 2.002 -7.566 -0.375) 7.835 5.492 ( 2.002 7.566 -0.375) 7.835 5.927 ( -1.354 -1.770 2.774) 3.558 5.927 ( -1.354 1.770 2.774) 3.558 6.496 ( -5.035 -4.217 -0.198) 6.570 6.496 ( -5.035 4.217 -0.198) 6.570 6.679 ( 1.598 -7.694 -4.387) 9.000 6.679 ( 1.598 7.694 -4.387) 9.000 7.044 ( 1.281 -3.162 -3.442) 4.846 7.044 ( 1.281 3.162 -3.442) 4.846 7.355 ( -0.146 -8.953 3.805) 9.729 7.355 ( -0.146 8.953 3.805) 9.729 8.170 ( 1.563 -4.058 -8.275) 9.348 8.170 ( 1.563 4.058 -8.275) 9.348 8.569 ( 1.182 -4.146 0.679) 4.365 8.569 ( 1.182 4.146 0.679) 4.365 9.587 ( -4.602 -4.121 -1.268) 6.306 9.587 ( -4.602 4.121 -1.268) 6.306 9.960 ( -5.613 -8.065 1.132) 9.891 9.960 ( -5.613 8.065 1.132) 9.891 10.940 ( -7.553 -2.273 -1.261) 7.987 10.940 ( -7.553 2.273 -1.261) 7.987 11.329 ( -6.694 -3.594 -7.730) 10.839 11.329 ( -6.694 3.594 -7.730) 10.839 11.906 ( 1.485 -6.374 -2.005) 6.845 11.906 ( 1.485 6.374 -2.005) 6.845 12.288 ( 2.794 -2.539 17.364) 17.770 12.288 ( 2.794 2.539 17.364) 17.770 13.367 ( 1.270 -5.623 -5.253) 7.799 13.367 ( 1.270 5.623 -5.253) 7.799 13.898 ( 1.353 -4.074 5.523) 6.995 13.898 ( 1.353 4.074 5.523) 6.995 14.690 ( 4.007 -3.086 4.892) 7.036 14.690 ( 4.007 3.086 4.892) 7.036 15.494 ( 2.228 -3.939 2.449) 5.145 15.494 ( 2.228 3.939 2.449) 5.145 17.245 ( -3.936 -3.036 2.188) 5.431 17.245 ( -3.936 3.036 2.188) 5.431 18.504 ( -5.053 -2.020 -7.619) 9.363 18.504 ( -5.053 2.020 -7.619) 9.363 24.881 ( -0.150 -2.392 2.986) 3.829 24.881 ( -0.150 2.392 2.986) 3.829 26.731 ( 3.285 -1.925 -1.150) 3.978 26.731 ( 3.285 1.925 -1.150) 3.978 28.286 ( 4.198 -1.810 0.997) 4.679 28.286 ( 4.198 1.810 0.997) 4.679 28.601 ( 0.598 -5.422 0.862) 5.523 28.601 ( 0.598 5.422 0.862) 5.523 28.980 ( -2.038 -1.759 2.720) 3.827 28.980 ( -2.038 1.759 2.720) 3.827 29.968 ( -2.700 -2.235 0.802) 3.595 29.968 ( -2.700 2.235 0.802) 3.595 30.951 ( 0.738 -6.245 -8.447) 10.530 30.951 ( 0.738 6.245 -8.447) 10.530 ======================= Grid point 37 (21/156) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 1.411 -17.349 8.858) 19.531 2.436 ( 1.411 17.349 8.858) 19.531 2.502 ( 4.586 -21.289 14.207) 26.002 2.502 ( 4.586 21.289 14.207) 26.002 3.695 ( 12.420 -4.022 -5.105) 14.018 3.695 ( 12.420 4.022 -5.105) 14.018 4.296 ( 3.796 -7.204 -1.512) 8.282 4.296 ( 3.796 7.204 -1.512) 8.282 5.053 ( -1.611 -0.506 4.116) 4.449 5.053 ( -1.611 0.506 4.116) 4.449 5.189 ( 4.455 -2.827 -4.619) 7.013 5.189 ( 4.455 2.827 -4.619) 7.013 5.515 ( 0.912 -8.737 -1.696) 8.947 5.515 ( 0.912 8.737 -1.696) 8.947 5.907 ( -3.089 -4.174 2.202) 5.640 5.907 ( -3.089 4.174 2.202) 5.640 6.347 ( -7.383 -5.701 -2.130) 9.567 6.347 ( -7.383 5.701 -2.130) 9.567 6.704 ( -0.029 -7.660 1.369) 7.781 6.704 ( -0.029 7.660 1.369) 7.781 7.073 ( 4.506 -1.367 -4.257) 6.348 7.073 ( 4.506 1.367 -4.257) 6.348 7.345 ( -3.004 -8.869 0.736) 9.392 7.345 ( -3.004 8.869 0.736) 9.392 8.131 ( 1.779 -14.624 -14.295) 20.527 8.131 ( 1.779 14.624 -14.295) 20.527 8.585 ( -0.479 -10.631 1.844) 10.801 8.585 ( -0.479 10.631 1.844) 10.801 9.450 ( -8.614 -7.243 -2.561) 11.542 9.450 ( -8.614 7.243 -2.561) 11.542 9.876 ( -4.926 -8.425 6.933) 11.971 9.876 ( -4.926 8.425 6.933) 11.971 10.776 ( -7.693 -1.634 -1.846) 8.078 10.776 ( -7.693 1.634 -1.846) 8.078 11.203 ( -1.826 -7.627 -9.286) 12.155 11.203 ( -1.826 7.627 -9.286) 12.155 11.938 ( -0.644 -4.295 6.172) 7.547 11.938 ( -0.644 4.295 6.172) 7.547 12.380 ( -1.544 -3.998 11.144) 11.940 12.380 ( -1.544 3.998 11.144) 11.940 13.373 ( 3.603 -9.791 -7.806) 13.030 13.373 ( 3.603 9.791 -7.806) 13.030 14.007 ( 5.316 -1.399 9.890) 11.315 14.007 ( 5.316 1.399 9.890) 11.315 14.799 ( 3.275 -6.257 7.002) 9.945 14.799 ( 3.275 6.257 7.002) 9.945 15.567 ( 2.997 -5.514 5.194) 8.146 15.567 ( 2.997 5.514 5.194) 8.146 17.160 ( -7.065 -3.833 2.738) 8.492 17.160 ( -7.065 3.833 2.738) 8.492 18.316 ( -7.934 -2.895 -12.855) 15.381 18.316 ( -7.934 2.895 -12.855) 15.381 24.893 ( -1.074 -1.827 4.154) 4.663 24.893 ( -1.074 1.827 4.154) 4.663 26.791 ( 3.937 -2.111 -1.674) 4.771 26.791 ( 3.937 2.111 -1.674) 4.771 28.387 ( 5.592 -1.491 1.057) 5.883 28.387 ( 5.592 1.491 1.057) 5.883 28.628 ( 1.642 -6.070 1.699) 6.514 28.628 ( 1.642 6.070 1.699) 6.514 28.971 ( -1.177 -3.633 5.287) 6.522 28.971 ( -1.177 3.633 5.287) 6.522 29.907 ( -3.998 -1.070 -0.178) 4.142 29.907 ( -3.998 1.070 -0.178) 4.142 30.892 ( -0.074 -11.032 -12.070) 16.353 30.892 ( -0.074 11.032 -12.070) 16.353 ======================= Grid point 39 (22/156) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 2.653 -21.260 5.693) 22.169 2.447 ( 2.653 21.260 5.693) 22.169 2.872 ( 16.586 -14.915 19.283) 29.485 2.872 ( 16.586 14.915 19.283) 29.485 3.888 ( 9.987 -7.028 -2.088) 12.389 3.888 ( 9.987 7.028 -2.088) 12.389 4.317 ( -0.860 -6.940 1.087) 7.077 4.317 ( -0.860 6.940 1.087) 7.077 4.961 ( -5.971 -5.575 -2.399) 8.514 4.961 ( -5.971 5.575 -2.399) 8.514 5.263 ( 3.216 -5.452 -11.073) 12.754 5.263 ( 3.216 5.452 -11.073) 12.754 5.536 ( 3.306 -10.380 2.997) 11.298 5.536 ( 3.306 10.380 2.997) 11.298 5.846 ( -4.407 -6.529 1.847) 8.091 5.846 ( -4.407 6.529 1.847) 8.091 6.256 ( -2.086 -4.023 -0.479) 4.557 6.256 ( -2.086 4.023 -0.479) 4.557 6.669 ( -5.571 -5.033 3.468) 8.270 6.669 ( -5.571 5.033 3.468) 8.270 7.123 ( 2.238 -1.450 -4.940) 5.614 7.123 ( 2.238 1.450 -4.940) 5.614 7.256 ( -4.683 -6.069 -2.628) 8.104 7.256 ( -4.683 6.069 -2.628) 8.104 8.068 ( 2.051 -13.486 -13.332) 19.074 8.068 ( 2.051 13.486 -13.332) 19.074 8.592 ( -0.250 -10.444 4.091) 11.220 8.592 ( -0.250 10.444 4.091) 11.220 9.273 ( -8.832 -8.676 -2.726) 12.677 9.273 ( -8.832 8.676 -2.726) 12.677 9.893 ( 0.875 -8.640 9.818) 13.107 9.893 ( 0.875 8.640 9.818) 13.107 10.658 ( -4.347 -2.351 -2.290) 5.447 10.658 ( -4.347 2.351 -2.290) 5.447 11.125 ( -0.749 -8.947 -8.950) 12.677 11.125 ( -0.749 8.947 -8.950) 12.677 11.926 ( -5.586 -4.343 7.541) 10.341 11.926 ( -5.586 4.343 7.541) 10.341 12.432 ( 2.079 -5.084 7.176) 9.036 12.432 ( 2.079 5.084 7.176) 9.036 13.380 ( 2.405 -12.222 -8.183) 14.904 13.380 ( 2.405 12.222 -8.183) 14.904 14.191 ( 7.391 -3.780 9.539) 12.645 14.191 ( 7.391 3.780 9.539) 12.645 14.884 ( 1.451 -7.561 6.334) 9.970 14.884 ( 1.451 7.561 6.334) 9.970 15.668 ( 3.500 -4.196 8.867) 10.415 15.668 ( 3.500 4.196 8.867) 10.415 17.023 ( -9.237 -9.678 0.578) 13.391 17.023 ( -9.237 9.678 0.578) 13.391 18.084 ( -7.773 -2.555 -13.902) 16.131 18.084 ( -7.773 2.555 -13.902) 16.131 24.893 ( -1.608 -1.630 3.736) 4.381 24.893 ( -1.608 1.630 3.736) 4.381 26.841 ( 2.622 -1.520 -1.553) 3.406 26.841 ( 2.622 1.520 -1.553) 3.406 28.480 ( 3.782 -0.763 0.851) 3.951 28.480 ( 3.782 0.763 0.851) 3.951 28.677 ( 2.363 -7.307 1.303) 7.789 28.677 ( 2.363 7.307 1.303) 7.789 29.015 ( 1.744 -4.818 7.091) 8.748 29.015 ( 1.744 4.818 7.091) 8.748 29.831 ( -3.481 -0.617 -1.571) 3.869 29.831 ( -3.481 0.617 -1.571) 3.869 30.801 ( -1.793 -14.221 -11.371) 18.296 30.801 ( -1.793 14.221 -11.371) 18.296 ======================= Grid point 41 (23/156) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 11.965 -13.332 4.962) 18.588 2.619 ( 11.965 13.332 4.962) 18.588 3.278 ( 15.124 -9.692 13.525) 22.486 3.278 ( 15.124 9.692 13.525) 22.486 3.937 ( -6.474 -12.430 4.302) 14.660 3.937 ( -6.474 12.430 4.302) 14.660 4.349 ( 4.826 -12.020 2.251) 13.147 4.349 ( 4.826 12.020 2.251) 13.147 4.860 ( -1.624 -4.732 -8.125) 9.542 4.860 ( -1.624 4.732 -8.125) 9.542 5.171 ( -2.788 -4.614 -9.577) 10.990 5.171 ( -2.788 4.614 -9.577) 10.990 5.597 ( -1.000 -6.542 -2.967) 7.252 5.597 ( -1.000 6.542 -2.967) 7.252 5.828 ( 1.288 -4.608 8.423) 9.688 5.828 ( 1.288 4.608 8.423) 9.688 6.224 ( -2.445 -4.668 -0.800) 5.330 6.224 ( -2.445 4.668 -0.800) 5.330 6.550 ( -8.467 -1.334 1.050) 8.636 6.550 ( -8.467 1.334 1.050) 8.636 7.030 ( -5.115 -1.227 -6.133) 8.079 7.030 ( -5.115 1.227 -6.133) 8.079 7.237 ( 1.765 -2.317 -0.526) 2.960 7.237 ( 1.765 2.317 -0.526) 2.960 8.078 ( 6.008 -4.297 -6.784) 10.029 8.078 ( 6.008 4.297 -6.784) 10.029 8.621 ( 0.096 -7.480 3.910) 8.440 8.621 ( 0.096 7.480 3.910) 8.440 9.104 ( -7.445 -3.573 -2.928) 8.762 9.104 ( -7.445 3.573 -2.928) 8.762 10.008 ( 4.622 -8.710 8.696) 13.147 10.008 ( 4.622 8.710 8.696) 13.147 10.573 ( -3.574 -2.194 -2.837) 5.063 10.573 ( -3.574 2.194 -2.837) 5.063 11.063 ( -0.632 -7.870 -6.555) 10.262 11.063 ( -0.632 7.870 -6.555) 10.262 11.853 ( -5.734 -3.484 4.321) 7.980 11.853 ( -5.734 3.484 4.321) 7.980 12.539 ( 4.180 -5.152 6.392) 9.213 12.539 ( 4.180 5.152 6.392) 9.213 13.359 ( 0.675 -13.481 -6.641) 15.043 13.359 ( 0.675 13.481 -6.641) 15.043 14.359 ( 5.313 -5.323 5.522) 9.330 14.359 ( 5.313 5.323 5.522) 9.330 14.934 ( 0.620 -5.794 4.074) 7.110 14.934 ( 0.620 5.794 4.074) 7.110 15.804 ( 4.261 -2.934 11.433) 12.549 15.804 ( 4.261 2.934 11.433) 12.549 16.841 ( -9.467 -13.148 -3.502) 16.576 16.841 ( -9.467 13.148 -3.502) 16.576 17.887 ( -5.197 -1.802 -10.160) 11.553 17.887 ( -5.197 1.802 -10.160) 11.553 24.885 ( -1.302 -1.135 2.497) 3.036 24.885 ( -1.302 1.135 2.497) 3.036 26.867 ( 1.185 -1.322 -1.035) 2.055 26.867 ( 1.185 1.322 -1.035) 2.055 28.536 ( 1.964 -1.031 1.196) 2.520 28.536 ( 1.964 1.031 1.196) 2.520 28.715 ( 1.282 -7.820 -0.179) 7.926 28.715 ( 1.282 7.820 -0.179) 7.926 29.110 ( 3.346 -4.536 6.525) 8.622 29.110 ( 3.346 4.536 6.525) 8.622 29.771 ( -1.834 -4.483 -1.796) 5.166 29.771 ( -1.834 4.483 -1.796) 5.166 30.696 ( -2.673 -15.323 -8.186) 17.577 30.696 ( -2.673 15.323 -8.186) 17.577 ======================= Grid point 43 (24/156) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 10.810 -8.941 2.641) 14.275 2.878 ( 10.810 8.941 2.641) 14.275 3.466 ( -0.906 -7.414 0.634) 7.496 3.466 ( -0.906 7.414 0.634) 7.496 3.860 ( -1.723 -5.595 6.907) 9.054 3.860 ( -1.723 5.595 6.906) 9.054 4.466 ( 3.606 -11.747 5.180) 13.336 4.466 ( 3.606 11.747 5.180) 13.336 4.762 ( -2.325 -8.672 -10.843) 14.078 4.762 ( -2.325 8.672 -10.843) 14.078 5.130 ( 1.566 -5.749 -0.933) 6.031 5.130 ( 1.566 5.749 -0.933) 6.031 5.504 ( -4.197 -3.837 -2.251) 6.116 5.504 ( -4.197 3.837 -2.251) 6.116 5.953 ( 6.204 -5.688 4.156) 9.387 5.953 ( 6.204 5.688 4.156) 9.387 6.123 ( -7.799 -8.596 0.133) 11.607 6.123 ( -7.799 8.596 0.133) 11.607 6.438 ( -2.531 -1.916 -1.537) 3.527 6.438 ( -2.531 1.916 -1.537) 3.527 6.943 ( -1.634 -1.586 -1.778) 2.890 6.943 ( -1.634 1.586 -1.778) 2.890 7.260 ( 0.778 -2.419 -0.207) 2.549 7.260 ( 0.778 2.419 -0.207) 2.549 8.162 ( 4.454 -1.098 -1.820) 4.935 8.162 ( 4.454 1.098 -1.820) 4.935 8.627 ( -1.147 -3.668 1.554) 4.146 8.627 ( -1.147 3.668 1.554) 4.146 8.993 ( -2.802 -1.488 -1.341) 3.444 8.993 ( -2.802 1.488 -1.341) 3.444 10.132 ( 3.322 -8.141 4.272) 9.775 10.132 ( 3.322 8.141 4.272) 9.775 10.496 ( -2.495 -2.848 -2.121) 4.340 10.496 ( -2.495 2.848 -2.121) 4.340 11.026 ( -0.259 -3.505 -2.410) 4.261 11.026 ( -0.259 3.505 -2.410) 4.261 11.795 ( -2.220 -2.464 1.302) 3.563 11.795 ( -2.220 2.464 1.302) 3.563 12.632 ( 2.080 -2.922 2.896) 4.610 12.632 ( 2.080 2.922 2.896) 4.610 13.332 ( -0.055 -13.515 -2.752) 13.792 13.332 ( -0.055 13.515 -2.752) 13.792 14.443 ( 1.645 -5.799 1.552) 6.224 14.443 ( 1.645 5.799 1.552) 6.224 14.960 ( 0.325 -2.284 1.398) 2.698 14.960 ( 0.325 2.284 1.398) 2.698 15.937 ( 2.732 -4.783 6.659) 8.642 15.937 ( 2.732 4.783 6.659) 8.642 16.675 ( -4.850 -14.777 -3.575) 15.958 16.675 ( -4.850 14.777 -3.575) 15.958 17.780 ( -1.757 -1.372 -3.583) 4.220 17.780 ( -1.757 1.372 -3.583) 4.220 24.879 ( -0.484 -0.588 0.873) 1.158 24.879 ( -0.484 0.588 0.873) 1.158 26.875 ( 0.305 -1.461 -0.355) 1.535 26.875 ( 0.305 1.461 -0.355) 1.535 28.567 ( 0.696 -1.858 0.719) 2.110 28.567 ( 0.696 1.858 0.719) 2.110 28.725 ( 0.225 -6.916 -0.451) 6.934 28.725 ( 0.225 6.916 -0.451) 6.934 29.189 ( 1.619 -2.932 2.705) 4.306 29.189 ( 1.619 2.932 2.705) 4.306 29.744 ( -0.411 -8.377 -0.751) 8.420 29.744 ( -0.411 8.377 -0.751) 8.420 30.620 ( -1.359 -15.314 -3.074) 15.679 30.620 ( -1.359 15.314 -3.074) 15.679 ======================= Grid point 77 (25/156) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -15.880 0.000 33.756) 37.305 0.834 ( -10.673 0.000 39.407) 40.827 1.354 ( 6.676 0.000 63.552) 63.902 3.121 ( 4.458 0.000 -4.211) 6.132 3.303 ( -0.951 0.000 5.028) 5.117 3.697 ( 2.947 0.000 -5.483) 6.224 4.344 ( 3.545 0.000 -4.357) 5.617 4.512 ( -1.307 0.000 -3.717) 3.940 4.879 ( 2.272 0.000 3.592) 4.250 5.169 ( -8.720 0.000 0.726) 8.750 5.422 ( 1.371 0.000 -1.757) 2.228 5.430 ( -2.586 0.000 3.748) 4.554 5.695 ( -2.440 0.000 1.227) 2.731 5.730 ( -4.878 0.000 -9.967) 11.096 5.878 ( -0.229 0.000 2.156) 2.168 5.911 ( -3.273 0.000 -1.045) 3.436 5.949 ( 2.838 0.000 -3.872) 4.801 6.698 ( 3.829 0.000 1.736) 4.204 6.761 ( 14.760 0.000 -2.684) 15.002 6.884 ( -6.501 0.000 -11.546) 13.250 7.152 ( 31.979 0.000 -2.626) 32.086 7.158 ( 0.449 0.000 0.315) 0.548 7.508 ( -4.173 0.000 -7.312) 8.418 7.655 ( 9.898 0.000 -0.614) 9.917 8.009 ( 1.265 0.000 -2.886) 3.151 8.228 ( 13.446 0.000 2.605) 13.696 8.249 ( -64.527 0.000 -8.049) 65.027 8.473 ( -2.178 0.000 -1.162) 2.469 8.671 ( -11.443 0.000 14.301) 18.315 9.506 ( -2.946 0.000 -3.933) 4.914 9.872 ( -5.207 0.000 5.329) 7.451 10.556 ( -2.146 0.000 1.075) 2.400 10.691 ( 6.002 0.000 -18.833) 19.766 10.864 ( 4.167 0.000 4.748) 6.318 11.171 ( -4.493 0.000 -2.490) 5.137 11.429 ( 12.913 0.000 -0.720) 12.933 11.778 ( -3.641 0.000 15.421) 15.845 12.057 ( -6.739 0.000 -8.260) 10.661 12.517 ( 15.157 0.000 10.361) 18.359 12.594 ( -9.317 0.000 10.360) 13.934 12.952 ( -0.257 0.000 -0.895) 0.931 12.971 ( -4.018 0.000 -3.318) 5.211 14.277 ( 3.718 0.000 12.161) 12.717 14.641 ( -1.282 0.000 -0.462) 1.362 14.645 ( 3.059 0.000 1.456) 3.388 15.146 ( 4.442 0.000 -0.443) 4.464 15.484 ( -0.459 0.000 -4.286) 4.310 16.294 ( 55.303 0.000 -0.417) 55.305 16.600 ( 8.724 0.000 -6.536) 10.901 17.231 ( -8.711 0.000 7.600) 11.560 18.319 ( -2.430 0.000 -7.450) 7.837 18.434 ( 1.559 0.000 -5.137) 5.368 25.043 ( 0.319 0.000 3.185) 3.201 25.988 ( 76.742 0.000 -2.937) 76.798 26.700 ( 2.429 0.000 0.135) 2.433 26.778 ( -6.469 0.000 -0.490) 6.487 28.093 ( -1.162 0.000 -0.203) 1.180 28.244 ( 0.003 0.000 -1.511) 1.511 28.278 ( 1.279 0.000 0.451) 1.357 28.297 ( 1.519 0.000 -1.250) 1.967 28.889 ( 1.521 0.000 9.056) 9.183 29.020 ( -1.720 0.000 3.980) 4.336 29.838 ( -7.045 0.000 -2.085) 7.347 30.156 ( -41.373 0.000 1.427) 41.398 30.637 ( -51.964 0.000 -0.318) 51.965 30.687 ( -0.181 0.000 -10.515) 10.517 ======================= Grid point 78 (26/156) ======================= q-point: ( 0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 28.472 0.000 20.600) 35.143 1.204 ( 22.861 0.000 26.305) 34.851 2.008 ( 22.671 0.000 48.853) 53.857 3.117 ( -3.994 0.000 -1.493) 4.263 3.346 ( 2.133 0.000 7.664) 7.956 3.862 ( 17.469 0.000 -2.436) 17.638 4.294 ( -6.363 0.000 -2.421) 6.807 4.419 ( -5.050 0.000 -6.076) 7.901 4.940 ( 1.304 0.000 5.635) 5.784 5.020 ( -5.527 0.000 0.065) 5.528 5.427 ( 0.332 0.000 -1.328) 1.369 5.451 ( 0.680 0.000 3.207) 3.278 5.490 ( -9.110 0.000 -23.346) 25.060 5.649 ( -2.909 0.000 -0.545) 2.960 5.852 ( -0.734 0.000 1.345) 1.532 5.978 ( 5.113 0.000 4.615) 6.888 6.033 ( 5.692 0.000 -3.047) 6.456 6.471 ( -15.575 0.000 2.019) 15.705 6.747 ( -1.898 0.000 -6.430) 6.704 6.901 ( -8.094 0.000 5.084) 9.558 7.143 ( -9.429 0.000 6.642) 11.534 7.146 ( -0.291 0.000 -4.366) 4.376 7.465 ( -8.718 0.000 -7.107) 11.248 7.651 ( 5.706 0.000 -0.990) 5.791 7.776 ( 0.004 0.000 -14.885) 14.885 8.344 ( -3.679 0.000 1.373) 3.927 8.384 ( 25.297 0.000 -16.017) 29.941 8.526 ( 0.074 0.000 9.072) 9.073 8.602 ( 4.479 0.000 2.817) 5.291 9.503 ( 3.862 0.000 -3.796) 5.415 9.836 ( -2.108 0.000 3.826) 4.368 10.527 ( -11.855 0.000 -13.059) 17.638 10.535 ( -0.507 0.000 0.489) 0.704 10.903 ( -3.242 0.000 1.167) 3.446 11.099 ( -2.008 0.000 5.236) 5.608 11.523 ( 1.139 0.000 1.716) 2.060 11.875 ( -6.052 0.000 -11.060) 12.608 11.993 ( 9.978 0.000 16.675) 19.432 12.399 ( -14.140 0.000 4.781) 14.927 12.800 ( 10.280 0.000 6.472) 12.147 12.931 ( -2.014 0.000 -0.116) 2.017 13.046 ( 12.775 0.000 -5.842) 14.047 14.366 ( -0.334 0.000 6.237) 6.246 14.623 ( 0.758 0.000 -2.983) 3.078 14.750 ( 1.942 0.000 19.217) 19.315 15.189 ( -0.381 0.000 1.923) 1.960 15.471 ( 2.613 0.000 -5.237) 5.853 16.324 ( -20.651 0.000 8.406) 22.296 16.635 ( -1.520 0.000 -3.249) 3.587 17.177 ( -1.370 0.000 4.792) 4.984 18.146 ( -9.390 0.000 -9.007) 13.012 18.400 ( -5.517 0.000 -9.430) 10.925 25.051 ( -1.428 0.000 3.030) 3.350 26.059 ( -35.241 0.000 13.056) 37.581 26.756 ( 3.083 0.000 -0.372) 3.105 26.822 ( 1.169 0.000 1.309) 1.755 28.084 ( 0.469 0.000 -0.921) 1.034 28.249 ( 1.503 0.000 -1.209) 1.929 28.310 ( 6.393 0.000 -2.626) 6.912 28.767 ( 32.849 0.000 -25.141) 41.365 28.891 ( -5.433 0.000 4.026) 6.762 28.975 ( 0.696 0.000 11.652) 11.673 29.390 ( -5.160 0.000 16.301) 17.099 29.957 ( 0.957 0.000 5.702) 5.782 30.544 ( -7.239 0.000 -13.002) 14.882 30.751 ( 18.873 0.000 -13.629) 23.280 ======================= Grid point 79 (27/156) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 34.119 0.000 12.032) 36.179 1.827 ( 29.302 0.000 14.564) 32.722 2.731 ( 28.823 0.000 31.067) 42.379 2.959 ( -12.555 0.000 1.012) 12.596 3.478 ( 5.666 0.000 11.231) 12.580 4.099 ( -13.837 0.000 -0.005) 13.837 4.243 ( 23.845 0.000 -1.901) 23.921 4.285 ( -4.175 0.000 -7.774) 8.824 4.993 ( 0.451 0.000 5.209) 5.229 4.994 ( 1.161 0.000 4.451) 4.600 5.145 ( -10.903 0.000 -26.069) 28.258 5.416 ( -0.735 0.000 -1.719) 1.869 5.465 ( 0.416 0.000 -3.171) 3.199 5.583 ( -5.847 0.000 3.385) 6.756 5.870 ( 1.348 0.000 1.783) 2.235 5.932 ( -11.761 0.000 -1.820) 11.901 6.110 ( 6.446 0.000 2.785) 7.022 6.395 ( 1.878 0.000 -1.076) 2.165 6.679 ( -15.108 0.000 4.378) 15.729 6.737 ( 2.292 0.000 1.100) 2.543 7.097 ( -1.005 0.000 -7.262) 7.331 7.101 ( -8.459 0.000 7.067) 11.022 7.228 ( -8.239 0.000 2.136) 8.512 7.501 ( -10.374 0.000 -9.454) 14.036 7.935 ( 16.233 0.000 -9.389) 18.753 8.267 ( -4.330 0.000 1.372) 4.542 8.487 ( -4.818 0.000 7.123) 8.600 8.541 ( 5.944 0.000 -19.288) 20.183 8.816 ( 11.921 0.000 -0.428) 11.929 9.592 ( 5.790 0.000 0.475) 5.810 9.841 ( 2.399 0.000 -1.518) 2.839 10.152 ( -21.522 0.000 -6.966) 22.621 10.546 ( 1.287 0.000 0.473) 1.371 10.792 ( -5.862 0.000 -4.716) 7.523 11.172 ( 1.220 0.000 16.918) 16.962 11.548 ( 0.163 0.000 1.859) 1.866 11.706 ( -4.465 0.000 -13.288) 14.018 12.154 ( -9.043 0.000 14.376) 16.984 12.272 ( 3.399 0.000 2.282) 4.094 12.870 ( -3.475 0.000 -1.900) 3.961 12.976 ( 4.606 0.000 5.983) 7.551 13.295 ( 18.200 0.000 -7.182) 19.566 14.376 ( -1.048 0.000 3.063) 3.237 14.619 ( 1.253 0.000 -3.937) 4.132 14.916 ( -0.343 0.000 25.064) 25.066 15.177 ( -0.968 0.000 0.857) 1.293 15.504 ( 3.905 0.000 -3.972) 5.570 16.051 ( -14.973 0.000 8.551) 17.243 16.539 ( -6.988 0.000 0.241) 6.992 17.210 ( 1.470 0.000 2.402) 2.816 17.909 ( -10.215 0.000 -6.742) 12.239 18.178 ( -10.442 0.000 -9.898) 14.388 25.030 ( -2.437 0.000 1.660) 2.948 25.582 ( -25.898 0.000 14.974) 29.916 26.818 ( 4.359 0.000 -4.022) 5.931 26.834 ( -0.366 0.000 5.530) 5.542 28.098 ( 1.857 0.000 -1.417) 2.336 28.284 ( 3.000 0.000 -0.554) 3.050 28.411 ( 5.760 0.000 -1.094) 5.863 28.750 ( -2.509 0.000 1.564) 2.956 29.058 ( 0.001 0.000 12.857) 12.857 29.135 ( 13.283 0.000 -14.026) 19.317 29.594 ( 15.049 0.000 4.587) 15.733 30.009 ( 0.365 0.000 6.065) 6.076 30.278 ( -12.327 0.000 -14.118) 18.742 30.945 ( 13.519 0.000 -16.597) 21.407 ======================= Grid point 80 (28/156) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 10.008 0.000 5.729) 11.532 2.411 ( 32.307 0.000 7.162) 33.092 2.774 ( -1.246 0.000 1.881) 2.257 3.395 ( 26.290 0.000 17.590) 31.632 3.676 ( 6.404 0.000 13.702) 15.125 3.823 ( -15.696 0.000 1.099) 15.734 4.185 ( -2.122 0.000 -6.230) 6.582 4.605 ( 18.602 0.000 -10.101) 21.168 4.771 ( -10.536 0.000 -23.082) 25.373 5.055 ( 1.158 0.000 4.958) 5.091 5.068 ( -2.452 0.000 7.713) 8.094 5.372 ( -2.655 0.000 -2.907) 3.937 5.429 ( 1.205 0.000 1.953) 2.295 5.512 ( -4.654 0.000 6.330) 7.857 5.787 ( -3.047 0.000 -2.440) 3.903 5.917 ( 2.360 0.000 2.013) 3.101 6.191 ( -18.019 0.000 -5.556) 18.856 6.233 ( 5.308 0.000 1.806) 5.607 6.514 ( -8.316 0.000 -3.530) 9.034 6.819 ( 3.675 0.000 5.270) 6.425 6.955 ( -8.910 0.000 5.042) 10.238 7.030 ( -0.992 0.000 -6.886) 6.957 7.151 ( -3.920 0.000 4.968) 6.328 7.375 ( 0.663 0.000 -2.843) 2.919 8.126 ( 9.202 0.000 -4.274) 10.146 8.231 ( -0.031 0.000 0.708) 0.709 8.445 ( -3.228 0.000 -12.978) 13.374 8.469 ( -0.458 0.000 2.623) 2.663 8.982 ( 6.295 0.000 -0.188) 6.297 9.672 ( 2.009 0.000 3.902) 4.389 9.699 ( -24.285 0.000 -3.021) 24.472 9.917 ( 7.859 0.000 -6.008) 9.893 10.573 ( 0.585 0.000 -0.672) 0.891 10.669 ( -4.266 0.000 -2.292) 4.842 11.335 ( 3.362 0.000 20.133) 20.412 11.541 ( -3.634 0.000 -15.508) 15.928 11.544 ( -0.813 0.000 -1.244) 1.486 12.050 ( -6.207 0.000 3.207) 6.986 12.350 ( -1.558 0.000 11.347) 11.453 12.787 ( -3.447 0.000 -3.584) 4.972 13.055 ( 0.434 0.000 5.306) 5.324 13.575 ( 16.893 0.000 -7.015) 18.292 14.371 ( -1.239 0.000 1.722) 2.121 14.622 ( 1.306 0.000 -2.648) 2.952 15.017 ( -3.878 0.000 18.182) 18.591 15.188 ( 2.649 0.000 -1.227) 2.919 15.556 ( 3.919 0.000 -2.187) 4.488 15.852 ( -10.147 0.000 -3.085) 10.605 16.403 ( -8.030 0.000 -0.361) 8.038 17.241 ( -0.069 0.000 3.567) 3.568 17.731 ( -6.335 0.000 -0.652) 6.369 17.949 ( -8.297 0.000 -5.845) 10.149 24.989 ( -2.521 0.000 -0.200) 2.529 25.290 ( -15.429 0.000 8.853) 17.789 26.847 ( 1.920 0.000 -1.409) 2.382 26.894 ( 2.640 0.000 2.783) 3.836 28.131 ( 2.818 0.000 -1.625) 3.253 28.345 ( 3.691 0.000 0.224) 3.697 28.499 ( 4.273 0.000 -0.329) 4.286 28.750 ( 1.160 0.000 0.521) 1.272 29.140 ( 0.491 0.000 12.723) 12.732 29.215 ( 4.510 0.000 -7.732) 8.951 29.858 ( 10.070 0.000 0.156) 10.071 29.942 ( -14.666 0.000 -13.863) 20.181 30.052 ( 1.726 0.000 4.374) 4.702 31.064 ( 9.329 0.000 -8.524) 12.637 ======================= Grid point 81 (29/156) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -9.464 0.000 -4.896) 10.655 2.981 ( 27.255 0.000 -0.203) 27.256 2.986 ( 11.606 0.000 2.387) 11.849 3.547 ( -13.816 0.000 6.260) 15.168 3.844 ( 13.507 0.000 9.341) 16.422 3.873 ( 6.284 0.000 3.069) 6.994 4.094 ( -4.561 0.000 -10.641) 11.577 4.556 ( -1.238 0.000 0.578) 1.366 4.727 ( -0.242 0.000 -13.328) 13.331 5.032 ( 3.961 0.000 -0.491) 3.991 5.106 ( 1.635 0.000 1.554) 2.255 5.290 ( -3.806 0.000 -2.731) 4.685 5.314 ( -18.430 0.000 2.532) 18.603 5.632 ( 4.864 0.000 11.166) 12.179 5.771 ( 7.902 0.000 -4.111) 8.908 5.958 ( -2.003 0.000 -5.188) 5.561 5.970 ( 1.796 0.000 1.877) 2.597 6.270 ( -14.201 0.000 -2.822) 14.479 6.318 ( 2.931 0.000 1.260) 3.190 6.845 ( -6.952 0.000 2.904) 7.534 6.883 ( 0.861 0.000 -2.051) 2.224 7.016 ( 1.606 0.000 4.433) 4.715 7.146 ( 0.109 0.000 2.034) 2.037 7.389 ( -0.541 0.000 0.470) 0.717 8.229 ( 3.776 0.000 3.462) 5.123 8.281 ( 5.317 0.000 0.003) 5.317 8.330 ( -2.358 0.000 -3.792) 4.466 8.499 ( 2.767 0.000 -0.949) 2.925 9.024 ( -2.356 0.000 -0.066) 2.357 9.281 ( -18.594 0.000 -0.759) 18.610 9.747 ( 3.774 0.000 3.390) 5.073 10.016 ( 6.914 0.000 -5.891) 9.083 10.511 ( -4.101 0.000 -3.225) 5.217 10.649 ( -0.405 0.000 3.337) 3.362 11.336 ( -4.194 0.000 -16.567) 17.090 11.515 ( 0.025 0.000 -4.467) 4.467 11.573 ( 5.474 0.000 18.477) 19.270 11.961 ( -5.569 0.000 1.232) 5.704 12.373 ( -3.330 0.000 11.897) 12.355 12.712 ( -1.820 0.000 -4.108) 4.493 13.066 ( -2.191 0.000 3.597) 4.212 13.794 ( 11.400 0.000 -5.652) 12.724 14.351 ( -1.221 0.000 -0.828) 1.475 14.624 ( -0.407 0.000 -0.945) 1.029 15.003 ( -5.566 0.000 5.589) 7.888 15.265 ( 7.228 0.000 -2.636) 7.693 15.609 ( 2.370 0.000 -0.483) 2.419 15.634 ( -7.451 0.000 -14.670) 16.454 16.239 ( -8.417 0.000 -4.658) 9.620 17.260 ( -1.085 0.000 6.746) 6.832 17.673 ( -1.979 0.000 5.035) 5.410 17.839 ( -3.042 0.000 4.623) 5.534 24.942 ( -1.818 0.000 -2.037) 2.730 25.115 ( -8.902 0.000 4.188) 9.838 26.873 ( 1.679 0.000 -1.178) 2.051 26.955 ( 1.943 0.000 3.345) 3.869 28.176 ( 3.164 0.000 -1.566) 3.530 28.409 ( 2.622 0.000 1.078) 2.835 28.555 ( 2.168 0.000 -1.101) 2.432 28.784 ( 2.024 0.000 0.663) 2.130 29.224 ( 1.913 0.000 -7.112) 7.365 29.246 ( 3.312 0.000 11.345) 11.819 29.593 ( -14.408 0.000 -12.502) 19.076 29.923 ( -1.093 0.000 0.661) 1.278 30.139 ( 5.661 0.000 -3.791) 6.814 31.203 ( 7.871 0.000 4.498) 9.066 ======================= Grid point 82 (30/156) ======================= q-point: ( 0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 5.904 0.000 -10.823) 12.329 3.022 ( -8.197 0.000 3.429) 8.885 3.307 ( 9.764 0.000 -13.214) 16.430 3.431 ( -4.551 0.000 2.596) 5.239 3.876 ( -7.209 0.000 -15.611) 17.195 3.974 ( 5.313 0.000 -1.951) 5.659 4.025 ( 1.299 0.000 6.644) 6.770 4.561 ( -2.607 0.000 -13.232) 13.487 4.739 ( 9.224 0.000 22.648) 24.454 4.913 ( -12.435 0.000 4.369) 13.181 5.086 ( -2.695 0.000 -4.844) 5.544 5.256 ( 1.145 0.000 1.465) 1.860 5.287 ( 12.256 0.000 -5.086) 13.270 5.672 ( -0.774 0.000 -6.108) 6.156 5.909 ( -7.975 0.000 5.037) 9.433 5.977 ( 7.125 0.000 5.311) 8.887 5.993 ( -0.236 0.000 0.527) 0.577 6.049 ( -2.245 0.000 -5.557) 5.994 6.353 ( 0.479 0.000 0.254) 0.543 6.699 ( -8.551 0.000 -4.807) 9.810 6.863 ( -0.561 0.000 -1.434) 1.540 7.109 ( 2.869 0.000 9.201) 9.638 7.180 ( 1.853 0.000 4.295) 4.678 7.358 ( -2.610 0.000 1.396) 2.960 8.240 ( -2.363 0.000 1.153) 2.629 8.397 ( 4.688 0.000 -0.785) 4.753 8.435 ( 8.513 0.000 14.936) 17.191 8.509 ( -0.022 0.000 -4.554) 4.554 8.911 ( -3.865 0.000 -0.825) 3.952 9.084 ( -6.314 0.000 1.621) 6.519 9.815 ( 0.932 0.000 1.129) 1.464 10.094 ( 5.820 0.000 -6.017) 8.371 10.449 ( -0.657 0.000 0.410) 0.775 10.649 ( -1.900 0.000 3.133) 3.664 11.154 ( -3.657 0.000 -17.102) 17.489 11.490 ( 0.231 0.000 -5.897) 5.902 11.782 ( 4.363 0.000 18.002) 18.523 11.873 ( -3.670 0.000 0.024) 3.670 12.390 ( -2.643 0.000 11.234) 11.541 12.679 ( 1.101 0.000 -4.200) 4.342 13.020 ( -4.396 0.000 0.952) 4.498 13.918 ( 5.797 0.000 -3.842) 6.955 14.320 ( -0.500 0.000 -4.271) 4.300 14.561 ( -5.631 0.000 -4.507) 7.212 14.917 ( -3.749 0.000 -2.078) 4.287 15.405 ( 9.563 0.000 -2.594) 9.908 15.426 ( -2.708 0.000 -21.182) 21.354 15.613 ( -2.760 0.000 1.028) 2.945 16.047 ( -7.128 0.000 -10.460) 12.658 17.299 ( -0.050 0.000 9.492) 9.492 17.715 ( 1.334 0.000 9.961) 10.050 17.888 ( 1.609 0.000 13.673) 13.767 24.898 ( -1.230 0.000 -3.495) 3.705 25.013 ( -4.267 0.000 1.122) 4.412 26.887 ( 0.450 0.000 -0.710) 0.840 27.006 ( 1.206 0.000 4.047) 4.223 28.222 ( 2.706 0.000 -1.171) 2.948 28.443 ( 0.009 0.000 1.777) 1.777 28.556 ( -0.716 0.000 -2.940) 3.026 28.826 ( 1.671 0.000 1.399) 2.179 29.202 ( 0.907 0.000 -7.862) 7.914 29.277 ( -12.084 0.000 -10.762) 16.181 29.413 ( 8.103 0.000 9.342) 12.367 29.887 ( -2.219 0.000 -0.600) 2.298 30.166 ( 1.486 0.000 -8.056) 8.192 31.403 ( 7.204 0.000 14.758) 16.423 ======================= Grid point 83 (31/156) ======================= q-point: (-0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 17.613 0.000 -7.133) 19.003 2.881 ( -5.798 0.000 1.350) 5.953 3.071 ( -20.473 0.000 -26.214) 33.262 3.297 ( -11.094 0.000 -1.953) 11.265 3.665 ( -6.351 0.000 -11.428) 13.074 3.986 ( -7.446 0.000 6.785) 10.074 4.085 ( 7.141 0.000 -0.157) 7.143 4.644 ( 17.568 0.000 -13.365) 22.074 4.858 ( 0.077 0.000 9.967) 9.967 4.918 ( -1.973 0.000 -3.340) 3.879 5.159 ( 10.054 0.000 22.324) 24.483 5.306 ( 2.829 0.000 1.492) 3.199 5.396 ( -2.372 0.000 -7.780) 8.134 5.570 ( -2.823 0.000 -2.826) 3.995 5.726 ( -7.682 0.000 -0.485) 7.697 5.950 ( -5.452 0.000 0.172) 5.455 5.966 ( -2.251 0.000 -1.600) 2.762 6.187 ( 8.893 0.000 1.457) 9.011 6.340 ( -1.778 0.000 -0.666) 1.899 6.555 ( 0.262 0.000 -11.495) 11.498 6.864 ( -0.501 0.000 5.140) 5.164 7.219 ( 2.817 0.000 8.975) 9.407 7.265 ( 2.996 0.000 7.116) 7.721 7.285 ( -7.113 0.000 -0.752) 7.152 8.252 ( 2.035 0.000 5.704) 6.056 8.255 ( -11.374 0.000 -6.647) 13.174 8.609 ( 8.285 0.000 -1.565) 8.431 8.726 ( 10.074 0.000 21.704) 23.928 8.950 ( 3.271 0.000 0.795) 3.367 9.015 ( 1.866 0.000 -0.667) 1.981 9.776 ( -4.582 0.000 -1.882) 4.954 10.142 ( 4.789 0.000 -9.558) 10.691 10.507 ( 4.916 0.000 3.410) 5.983 10.629 ( -2.291 0.000 4.345) 4.912 11.010 ( -2.387 0.000 -9.889) 10.173 11.413 ( -4.341 0.000 -8.441) 9.492 11.871 ( 3.672 0.000 0.525) 3.709 11.948 ( 2.345 0.000 16.076) 16.247 12.420 ( -1.787 0.000 11.162) 11.305 12.687 ( 2.844 0.000 -7.400) 7.928 12.929 ( -5.167 0.000 -0.578) 5.199 13.961 ( 1.028 0.000 -1.827) 2.097 14.266 ( -1.144 0.000 -12.833) 12.884 14.380 ( -7.371 0.000 -7.881) 10.791 14.867 ( -1.482 0.000 0.235) 1.500 15.266 ( 0.448 0.000 -24.724) 24.728 15.495 ( -8.427 0.000 0.181) 8.429 15.559 ( 5.491 0.000 -1.923) 5.818 15.890 ( -0.534 0.000 -12.966) 12.977 17.374 ( 1.288 0.000 10.324) 10.404 17.834 ( 3.463 0.000 13.326) 13.769 18.050 ( 5.141 0.000 17.447) 18.189 24.850 ( -1.239 0.000 -4.695) 4.856 24.974 ( -0.412 0.000 -0.575) 0.708 26.878 ( -1.199 0.000 -0.109) 1.204 27.047 ( 0.271 0.000 4.384) 4.393 28.255 ( 1.315 0.000 -0.304) 1.350 28.433 ( -2.288 0.000 1.898) 2.973 28.496 ( -3.096 0.000 -4.702) 5.629 28.854 ( 0.283 0.000 1.626) 1.651 29.027 ( -8.785 0.000 -8.602) 12.296 29.159 ( 0.095 0.000 -8.858) 8.859 29.657 ( 13.047 0.000 6.722) 14.677 29.848 ( -0.993 0.000 -2.028) 2.258 30.109 ( -1.997 0.000 -6.899) 7.183 31.634 ( 6.202 0.000 19.637) 20.593 ======================= Grid point 84 (32/156) ======================= q-point: (-0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -31.887 0.000 -29.392) 43.367 2.506 ( 0.929 0.000 7.588) 7.645 2.898 ( -0.256 0.000 -2.147) 2.163 3.077 ( 2.119 0.000 -9.786) 10.012 3.514 ( -3.079 0.000 -7.742) 8.332 3.804 ( -22.858 0.000 12.257) 25.937 4.215 ( 7.072 0.000 0.184) 7.075 4.771 ( 1.873 0.000 -20.279) 20.366 4.844 ( -1.779 0.000 -5.131) 5.430 4.987 ( 6.635 0.000 7.121) 9.733 5.224 ( -8.707 0.000 2.066) 8.949 5.332 ( 2.813 0.000 -2.487) 3.755 5.492 ( -0.525 0.000 6.047) 6.070 5.527 ( 9.734 0.000 24.677) 26.528 5.729 ( 9.570 0.000 -13.538) 16.579 5.907 ( -2.525 0.000 -1.951) 3.191 5.938 ( 4.720 0.000 1.396) 4.922 6.280 ( -4.141 0.000 -1.371) 4.362 6.313 ( 2.692 0.000 0.633) 2.766 6.575 ( 10.797 0.000 -11.388) 15.693 6.907 ( -0.261 0.000 10.447) 10.450 7.075 ( -14.470 0.000 -1.265) 14.525 7.315 ( 1.524 0.000 8.439) 8.576 7.360 ( 3.521 0.000 2.748) 4.466 8.018 ( -8.362 0.000 -9.927) 12.980 8.360 ( 3.914 0.000 6.941) 7.968 8.675 ( -1.995 0.000 3.602) 4.118 8.961 ( 2.012 0.000 -2.667) 3.341 9.041 ( 7.817 0.000 24.594) 25.806 9.224 ( 18.636 0.000 -2.678) 18.828 9.653 ( -5.116 0.000 -6.102) 7.963 10.162 ( 5.372 0.000 -11.839) 13.001 10.587 ( 0.065 0.000 2.017) 2.018 10.672 ( 2.560 0.000 10.989) 11.283 10.970 ( 1.898 0.000 0.436) 1.947 11.247 ( -5.839 0.000 -12.304) 13.619 11.981 ( 5.820 0.000 3.023) 6.558 12.072 ( 0.906 0.000 14.329) 14.358 12.467 ( -0.845 0.000 11.391) 11.422 12.650 ( 0.261 0.000 -14.041) 14.044 12.861 ( -1.713 0.000 -0.607) 1.818 13.925 ( -4.902 0.000 0.429) 4.921 14.077 ( -4.849 0.000 -22.194) 22.718 14.277 ( -2.210 0.000 -4.175) 4.724 14.843 ( -2.273 0.000 1.082) 2.518 15.121 ( 0.736 0.000 -25.130) 25.141 15.289 ( -10.577 0.000 -4.930) 11.670 15.591 ( -0.707 0.000 -2.256) 2.364 15.907 ( 9.152 0.000 -8.970) 12.814 17.458 ( 0.518 0.000 9.772) 9.786 17.995 ( 4.854 0.000 13.311) 14.169 18.274 ( 7.121 0.000 17.047) 18.475 24.799 ( -0.530 0.000 -6.039) 6.062 24.982 ( 1.507 0.000 -0.865) 1.738 26.843 ( -2.548 0.000 0.065) 2.549 27.067 ( -1.300 0.000 4.588) 4.769 28.261 ( -0.892 0.000 0.843) 1.228 28.392 ( -3.167 0.000 1.496) 3.502 28.396 ( -3.935 0.000 -5.987) 7.165 28.849 ( -1.874 0.000 0.304) 1.899 28.857 ( -4.768 0.000 -6.465) 8.033 29.096 ( -0.934 0.000 -8.356) 8.408 29.828 ( 0.333 0.000 -2.660) 2.681 29.956 ( 15.942 0.000 3.908) 16.414 30.025 ( -3.427 0.000 -3.118) 4.633 31.866 ( 5.365 0.000 21.295) 21.960 ======================= Grid point 85 (33/156) ======================= q-point: (-0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -33.362 0.000 -25.772) 42.157 2.305 ( -28.638 0.000 7.257) 29.543 2.806 ( 1.665 0.000 3.158) 3.570 3.254 ( -46.560 0.000 16.010) 49.236 3.275 ( 7.109 0.000 -5.103) 8.751 3.553 ( 18.606 0.000 -10.313) 21.273 4.339 ( 6.638 0.000 -0.258) 6.643 4.519 ( -14.187 0.000 -15.300) 20.865 4.797 ( -0.543 0.000 -3.382) 3.425 5.021 ( -4.077 0.000 0.620) 4.124 5.254 ( 8.850 0.000 6.525) 10.995 5.356 ( 2.060 0.000 -2.943) 3.592 5.617 ( 6.535 0.000 3.787) 7.553 5.781 ( 2.701 0.000 10.219) 10.570 5.892 ( 2.144 0.000 7.217) 7.529 5.952 ( 12.228 0.000 1.955) 12.383 6.061 ( 17.633 0.000 -16.175) 23.927 6.177 ( -6.076 0.000 -1.689) 6.306 6.299 ( -3.840 0.000 4.876) 6.207 6.757 ( 1.518 0.000 -11.186) 11.288 6.823 ( 1.837 0.000 -0.159) 1.844 6.978 ( -0.096 0.000 12.526) 12.526 7.366 ( -1.696 0.000 6.380) 6.602 7.429 ( 4.794 0.000 -2.865) 5.585 7.848 ( -2.280 0.000 -11.898) 12.115 8.424 ( -3.014 0.000 7.462) 8.048 8.629 ( -4.993 0.000 5.044) 7.098 8.967 ( -1.213 0.000 -0.273) 1.244 9.241 ( 0.775 0.000 8.044) 8.081 9.617 ( 27.229 0.000 -6.261) 27.939 9.618 ( 4.839 0.000 5.649) 7.439 10.198 ( 6.033 0.000 -9.311) 11.094 10.584 ( -1.031 0.000 2.363) 2.578 10.791 ( 1.101 0.000 15.490) 15.529 11.074 ( 5.946 0.000 6.462) 8.781 11.086 ( -2.010 0.000 -13.777) 13.923 12.075 ( 0.638 0.000 5.682) 5.718 12.159 ( 0.240 0.000 10.101) 10.104 12.523 ( -0.843 0.000 10.608) 10.642 12.546 ( -0.639 0.000 -17.463) 17.474 12.836 ( -0.185 0.000 -2.628) 2.634 13.781 ( -12.231 0.000 2.690) 12.523 13.860 ( -4.420 0.000 -20.722) 21.188 14.205 ( -2.259 0.000 -5.643) 6.078 14.784 ( -3.669 0.000 -2.562) 4.475 14.995 ( 0.448 0.000 -17.491) 17.497 15.097 ( -5.411 0.000 -7.562) 9.298 15.558 ( -0.392 0.000 -2.919) 2.945 16.053 ( 11.487 0.000 -6.182) 13.045 17.500 ( -2.653 0.000 8.852) 9.241 18.166 ( 5.625 0.000 9.951) 11.431 18.493 ( 6.071 0.000 12.751) 14.122 24.758 ( 0.416 0.000 -6.994) 7.007 25.008 ( 1.551 0.000 -0.124) 1.556 26.790 ( -3.128 0.000 -0.242) 3.138 27.052 ( -3.594 0.000 4.516) 5.772 28.232 ( -2.948 0.000 1.451) 3.286 28.292 ( -2.866 0.000 -6.595) 7.191 28.343 ( -2.926 0.000 0.813) 3.037 28.773 ( -1.089 0.000 -3.549) 3.712 28.781 ( -4.472 0.000 -3.498) 5.678 29.034 ( -1.256 0.000 -4.269) 4.450 29.825 ( 0.950 0.000 -2.310) 2.498 29.961 ( -2.661 0.000 1.327) 2.974 30.264 ( 16.040 0.000 0.644) 16.053 32.095 ( 5.491 0.000 20.619) 21.338 ======================= Grid point 86 (34/156) ======================= q-point: (-0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -29.342 0.000 -5.995) 29.949 1.730 ( -39.247 0.000 13.026) 41.352 2.405 ( -57.780 0.000 20.105) 61.178 2.921 ( 8.109 0.000 -1.452) 8.238 3.287 ( -0.560 0.000 0.429) 0.706 3.912 ( 22.883 0.000 -8.392) 24.374 4.138 ( -17.599 0.000 -9.621) 20.057 4.447 ( 5.511 0.000 -1.184) 5.637 4.784 ( 0.985 0.000 -1.338) 1.662 5.021 ( 2.851 0.000 3.931) 4.857 5.376 ( 2.064 0.000 -2.355) 3.132 5.423 ( 5.568 0.000 2.134) 5.963 5.758 ( 4.937 0.000 3.768) 6.211 5.799 ( -1.368 0.000 2.777) 3.096 5.975 ( -3.182 0.000 0.983) 3.330 6.005 ( 1.019 0.000 4.429) 4.544 6.052 ( -6.270 0.000 1.143) 6.373 6.223 ( -5.216 0.000 -1.735) 5.497 6.461 ( 23.953 0.000 -8.605) 25.452 6.607 ( -0.484 0.000 0.085) 0.491 7.040 ( 11.662 0.000 -1.550) 11.765 7.052 ( 0.174 0.000 10.493) 10.495 7.304 ( -6.874 0.000 -2.163) 7.207 7.531 ( 11.646 0.000 -10.443) 15.642 7.822 ( 6.401 0.000 -6.697) 9.264 8.325 ( -12.031 0.000 5.570) 13.258 8.574 ( -4.030 0.000 3.502) 5.339 8.907 ( -7.070 0.000 5.693) 9.077 9.253 ( 2.829 0.000 -6.511) 7.099 9.816 ( 5.188 0.000 14.535) 15.434 10.096 ( 30.643 0.000 -10.736) 32.469 10.281 ( 9.239 0.000 -5.191) 10.597 10.591 ( 0.535 0.000 1.031) 1.161 10.893 ( -0.394 0.000 10.145) 10.152 11.032 ( 5.098 0.000 -10.570) 11.735 11.218 ( 3.926 0.000 8.240) 9.128 12.052 ( -8.113 0.000 7.899) 11.323 12.183 ( -1.220 0.000 -6.785) 6.894 12.389 ( -4.657 0.000 -16.213) 16.869 12.565 ( -1.073 0.000 8.761) 8.826 12.852 ( 2.950 0.000 4.014) 4.981 13.525 ( -17.966 0.000 4.040) 18.414 13.667 ( -4.680 0.000 -6.914) 8.349 14.152 ( -0.504 0.000 -0.034) 0.506 14.704 ( -2.397 0.000 -3.392) 4.154 14.913 ( -0.940 0.000 -8.290) 8.344 15.018 ( 1.767 0.000 -6.949) 7.170 15.542 ( 0.330 0.000 -2.987) 3.005 16.235 ( 12.765 0.000 -5.737) 13.995 17.467 ( -6.871 0.000 8.143) 10.654 18.306 ( 4.572 0.000 4.026) 6.092 18.624 ( 1.654 0.000 4.326) 4.631 24.727 ( 0.612 0.000 -4.580) 4.621 25.031 ( 0.391 0.000 1.890) 1.930 26.734 ( -2.625 0.000 -0.642) 2.703 26.992 ( -5.734 0.000 3.572) 6.756 28.180 ( -3.543 0.000 1.217) 3.746 28.220 ( -0.493 0.000 -6.003) 6.023 28.299 ( -2.162 0.000 -0.211) 2.172 28.655 ( -5.868 0.000 -6.138) 8.492 28.766 ( 1.097 0.000 0.642) 1.271 29.000 ( -1.110 0.000 0.090) 1.114 29.831 ( 1.028 0.000 -1.743) 2.024 29.962 ( 0.650 0.000 6.344) 6.377 30.523 ( 13.013 0.000 -3.101) 13.378 32.313 ( 6.237 0.000 11.951) 13.481 ======================= Grid point 87 (35/156) ======================= q-point: (-0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -7.237 0.000 41.455) 42.082 1.125 ( -38.697 0.000 26.345) 46.814 1.513 ( -54.990 0.000 33.698) 64.494 3.042 ( 7.219 0.000 -4.811) 8.675 3.291 ( -0.410 0.000 3.162) 3.189 3.817 ( -10.861 0.000 -7.274) 13.072 4.212 ( 14.509 0.000 -5.930) 15.674 4.513 ( 2.853 0.000 -2.263) 3.642 4.818 ( 2.591 0.000 1.079) 2.806 5.162 ( 6.327 0.000 7.765) 10.016 5.401 ( 2.034 0.000 -1.847) 2.748 5.474 ( -0.297 0.000 -0.093) 0.312 5.773 ( -5.752 0.000 1.810) 6.030 5.793 ( -1.684 0.000 3.516) 3.898 5.918 ( -4.730 0.000 -2.612) 5.403 5.972 ( 0.217 0.000 -0.377) 0.435 6.012 ( -3.775 0.000 -1.138) 3.942 6.145 ( 7.959 0.000 8.982) 12.001 6.724 ( 8.467 0.000 3.263) 9.074 6.768 ( 11.453 0.000 2.043) 11.634 7.080 ( -4.808 0.000 -4.789) 6.786 7.146 ( -3.243 0.000 0.200) 3.249 7.240 ( 14.129 0.000 -1.766) 14.239 7.683 ( 10.084 0.000 -12.069) 15.727 7.977 ( 12.279 0.000 -0.288) 12.282 8.107 ( -12.472 0.000 1.683) 12.585 8.525 ( -3.119 0.000 1.104) 3.309 8.795 ( -10.921 0.000 11.636) 15.959 9.244 ( -1.638 0.000 -14.540) 14.632 9.887 ( -4.015 0.000 1.638) 4.336 10.236 ( -26.831 0.000 -45.271) 52.625 10.526 ( 24.279 0.000 -17.275) 29.798 10.601 ( -2.089 0.000 -2.876) 3.554 10.769 ( -2.817 0.000 -6.963) 7.511 11.156 ( 13.553 0.000 -2.884) 13.857 11.250 ( -3.374 0.000 -0.274) 3.385 11.898 ( -13.805 0.000 10.144) 17.131 12.104 ( 2.743 0.000 12.996) 13.282 12.270 ( -1.619 0.000 -1.735) 2.373 12.602 ( -0.759 0.000 8.141) 8.177 12.951 ( 2.983 0.000 -2.009) 3.596 13.208 ( -18.465 0.000 2.859) 18.685 13.979 ( 32.295 0.000 37.100) 49.187 14.260 ( 15.041 0.000 27.814) 31.621 14.666 ( -0.470 0.000 -0.947) 1.057 14.910 ( 9.630 0.000 12.041) 15.418 15.059 ( 5.835 0.000 -4.105) 7.135 15.521 ( -0.658 0.000 -3.195) 3.262 16.434 ( 13.027 0.000 -6.367) 14.500 17.361 ( -9.996 0.000 7.894) 12.738 18.364 ( 1.099 0.000 -3.068) 3.259 18.579 ( -6.268 0.000 -6.275) 8.869 24.821 ( 14.309 0.000 15.004) 20.734 25.058 ( 1.135 0.000 7.147) 7.237 26.696 ( -0.907 0.000 -0.708) 1.151 26.897 ( -6.366 0.000 1.365) 6.510 28.128 ( -2.700 0.000 0.568) 2.759 28.205 ( 2.399 0.000 -3.624) 4.346 28.264 ( -1.197 0.000 -1.164) 1.670 28.494 ( -8.112 0.000 -6.021) 10.102 28.813 ( 1.803 0.000 5.204) 5.508 28.998 ( -0.018 0.000 2.896) 2.896 29.841 ( 1.122 0.000 -0.946) 1.468 30.080 ( 7.167 0.000 9.029) 11.528 30.677 ( 7.191 0.000 -7.013) 10.044 32.244 ( -23.676 0.000 -35.766) 42.892 ======================= Grid point 88 (36/156) ======================= q-point: ( 0.00 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 1.598 30.218 18.783) 35.616 1.226 ( 3.501 24.600 32.770) 41.125 1.874 ( -7.774 44.497 39.796) 60.201 3.137 ( 2.415 -8.649 4.277) 9.946 3.305 ( -0.361 8.441 -3.082) 8.993 3.718 ( 2.154 1.946 -4.581) 5.423 4.133 ( 3.693 -19.036 -2.109) 19.505 4.476 ( -1.499 -3.310 -5.578) 6.657 4.877 ( 0.821 -0.348 2.268) 2.437 5.140 ( -7.550 -2.019 -0.619) 7.840 5.277 ( 3.130 -8.624 3.290) 9.746 5.378 ( 0.996 -3.692 -3.154) 4.957 5.672 ( -0.703 -1.865 2.325) 3.062 5.767 ( 0.139 -3.455 5.213) 6.256 5.853 ( -5.521 4.362 -10.251) 12.434 5.968 ( -3.212 1.760 0.595) 3.710 6.114 ( 1.745 11.235 -5.256) 12.525 6.480 ( 12.053 -10.509 4.132) 16.516 6.738 ( -7.168 -0.049 -1.827) 7.397 6.947 ( -1.352 0.453 -6.000) 6.167 7.011 ( 6.124 -1.343 5.589) 8.399 7.195 ( 4.654 -4.580 -2.266) 6.912 7.362 ( -10.685 -11.719 6.334) 17.077 7.531 ( 10.184 -0.565 -7.107) 12.431 7.949 ( 13.124 -3.891 -1.785) 13.805 8.082 ( -27.377 1.330 -2.206) 27.498 8.332 ( 12.326 7.414 1.410) 14.453 8.659 ( -9.872 0.177 11.540) 15.187 9.164 ( -2.034 19.452 -25.313) 31.988 9.636 ( -12.175 10.517 -16.004) 22.693 9.850 ( -4.070 -2.125 4.554) 6.467 10.408 ( 0.491 -9.387 -2.045) 9.620 10.800 ( 3.916 5.724 -12.903) 14.649 10.859 ( 3.080 -0.098 2.144) 3.754 11.121 ( -5.328 0.541 -7.300) 9.054 11.548 ( 8.244 5.591 2.523) 10.275 11.754 ( -1.941 -1.989 13.606) 13.886 12.021 ( -3.242 -3.509 -7.851) 9.190 12.425 ( 11.584 -3.405 14.071) 18.542 12.695 ( -1.768 -10.252 7.157) 12.627 12.832 ( -5.854 14.589 -2.418) 15.905 13.198 ( -2.115 9.263 -3.873) 10.260 14.217 ( 2.806 -6.264 11.481) 13.376 14.400 ( 0.036 -20.985 13.621) 25.018 14.643 ( 3.143 -0.047 2.101) 3.781 14.878 ( 15.763 -11.988 24.331) 31.371 15.432 ( 9.967 -2.652 -5.266) 11.580 15.598 ( 2.566 -8.582 4.602) 10.070 17.121 ( 2.609 5.009 -4.643) 7.311 17.459 ( 4.297 9.972 -5.827) 12.323 18.321 ( -4.570 2.497 -9.621) 10.940 18.448 ( -1.685 1.381 -5.611) 6.019 25.017 ( 1.626 -2.554 3.460) 4.598 25.256 ( 18.887 -26.528 25.434) 41.320 26.681 ( 0.492 -0.563 -0.835) 1.121 26.756 ( -3.971 -1.447 -0.436) 4.248 28.182 ( 1.987 -1.407 -2.015) 3.160 28.283 ( 0.099 -0.857 -1.645) 1.857 28.334 ( 2.411 7.206 -1.486) 7.743 28.674 ( 10.364 10.672 -9.574) 17.691 28.927 ( 4.264 4.215 6.186) 8.615 29.047 ( 1.684 2.156 4.470) 5.241 29.867 ( -0.447 2.052 -1.539) 2.604 30.161 ( -13.036 -1.739 -0.630) 13.167 30.711 ( -3.722 2.931 -10.950) 11.931 30.790 ( -32.833 7.598 -13.399) 36.267 ======================= Grid point 89 (37/156) ======================= q-point: ( 0.09 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 13.312 23.733 18.464) 32.885 1.573 ( 18.784 24.925 22.662) 38.570 2.294 ( 20.742 27.796 36.780) 50.553 3.231 ( 1.589 3.668 0.751) 4.067 3.251 ( -1.285 -3.388 4.736) 5.963 3.836 ( 11.628 -3.461 -1.533) 12.228 4.116 ( -3.784 -15.848 -0.086) 16.293 4.393 ( -2.358 -1.913 -7.035) 7.662 4.920 ( 1.899 -1.763 3.945) 4.720 4.986 ( -6.433 -1.279 -2.550) 7.037 5.342 ( 0.231 -3.677 1.467) 3.966 5.384 ( 0.993 -5.305 -6.107) 8.150 5.628 ( -8.349 3.354 -13.335) 16.086 5.671 ( -1.064 1.997 2.286) 3.216 5.812 ( 1.512 1.089 2.507) 3.123 5.934 ( -0.955 -1.722 3.238) 3.789 6.198 ( 5.071 9.999 -3.189) 11.656 6.417 ( -9.572 -3.651 0.474) 10.255 6.687 ( -1.906 -4.284 0.488) 4.714 6.876 ( -4.006 0.836 -1.996) 4.553 7.061 ( 0.844 -6.849 1.147) 6.996 7.182 ( -4.072 1.333 0.662) 4.336 7.336 ( -1.924 -9.682 -1.806) 10.035 7.623 ( 2.471 -3.892 -4.129) 6.188 7.727 ( -6.610 1.342 -6.460) 9.339 8.210 ( 14.516 -7.325 -1.936) 16.374 8.513 ( -4.322 3.587 3.853) 6.811 8.619 ( 9.898 1.685 0.623) 10.059 8.904 ( -8.004 25.350 -20.023) 33.280 9.515 ( 2.304 1.173 -3.329) 4.216 9.830 ( -1.806 -0.139 4.039) 4.427 10.378 ( -3.127 -7.781 -2.845) 8.855 10.674 ( -8.316 6.639 -7.378) 12.949 10.888 ( -2.872 -1.420 2.105) 3.833 10.992 ( -2.793 -4.911 -2.606) 6.222 11.534 ( -4.712 -3.926 2.585) 6.656 11.923 ( 0.557 4.938 -7.502) 8.999 12.001 ( 7.997 0.328 15.477) 17.424 12.498 ( -11.791 6.683 5.436) 14.603 12.754 ( 5.125 -3.294 6.384) 8.824 12.807 ( 4.882 -2.986 -1.020) 5.813 13.219 ( 6.647 9.138 -4.805) 12.279 14.303 ( -1.291 -6.044 6.695) 9.111 14.438 ( 2.257 -15.451 8.226) 17.649 14.697 ( -0.134 -1.234 8.892) 8.978 15.161 ( 2.789 -4.787 10.525) 11.894 15.500 ( 4.450 1.899 -0.289) 4.847 15.749 ( 3.828 -20.167 7.619) 21.896 17.100 ( -3.122 10.510 -8.501) 13.874 17.276 ( -13.748 11.231 5.930) 18.717 18.143 ( -8.146 0.467 -10.606) 13.381 18.366 ( -5.280 -2.147 -8.890) 10.561 25.033 ( -1.317 -1.658 3.089) 3.745 25.525 ( -7.972 -30.876 21.241) 38.315 26.703 ( 2.953 -2.463 0.840) 3.936 26.760 ( 3.875 -1.435 -3.282) 5.277 28.211 ( 1.774 1.829 -1.083) 2.768 28.281 ( 1.194 2.233 -1.696) 3.048 28.373 ( 3.233 5.153 -1.239) 6.209 28.826 ( 7.730 -2.831 -1.674) 8.400 28.962 ( -7.678 4.430 7.121) 11.371 29.133 ( 6.780 7.734 -0.473) 10.296 29.571 ( -10.078 18.534 -3.843) 21.444 29.969 ( -0.459 1.120 4.748) 4.900 30.567 ( -5.572 2.340 -13.325) 14.631 30.746 ( 14.173 -0.413 -14.128) 20.016 ======================= Grid point 90 (38/156) ======================= q-point: ( 0.18 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 20.034 6.587 14.462) 25.571 2.120 ( 26.130 17.991 15.899) 35.486 2.930 ( 26.599 18.242 21.167) 38.579 3.124 ( -6.306 13.704 0.566) 15.096 3.405 ( 6.519 -6.891 12.040) 15.328 3.903 ( -9.453 -18.902 5.084) 21.737 4.146 ( 8.322 -4.006 -6.843) 11.495 4.376 ( 8.633 4.253 -3.242) 10.155 4.875 ( -4.297 -4.278 -5.089) 7.916 4.982 ( 1.565 -2.648 1.659) 3.495 5.224 ( -6.530 4.312 -10.111) 12.785 5.359 ( 0.302 -3.736 -3.112) 4.872 5.464 ( -5.293 -3.044 -3.347) 6.963 5.647 ( -5.091 6.641 5.010) 9.753 5.864 ( 0.226 -3.211 -1.589) 3.590 5.914 ( -0.095 2.002 0.681) 2.117 6.130 ( -4.053 0.842 2.177) 4.677 6.455 ( 5.229 5.415 -2.088) 7.812 6.593 ( -9.042 -4.006 2.227) 10.138 6.817 ( -0.541 3.994 1.228) 4.214 7.081 ( 0.818 -3.391 -4.258) 5.504 7.106 ( -9.210 0.885 2.474) 9.577 7.182 ( -5.143 -3.741 0.562) 6.384 7.485 ( -9.423 -1.730 -7.738) 12.316 7.805 ( 11.474 -7.200 -3.709) 14.045 8.351 ( -3.489 4.152 8.355) 9.961 8.415 ( 2.913 -9.652 -18.718) 21.260 8.693 ( -4.359 14.622 -4.866) 16.015 8.834 ( 9.679 2.458 -0.448) 9.996 9.580 ( 4.560 -1.698 -1.660) 5.141 9.814 ( -2.423 -0.889 0.203) 2.588 10.195 ( -12.937 2.092 -4.168) 13.752 10.558 ( -1.171 1.526 0.338) 1.953 10.777 ( -5.901 -1.147 -4.778) 7.679 11.021 ( 2.010 -8.992 8.416) 12.479 11.461 ( -3.131 -9.153 -3.795) 10.392 11.864 ( -3.229 12.185 -1.870) 12.744 12.178 ( -4.505 0.685 17.985) 18.553 12.347 ( -2.201 6.730 0.365) 7.090 12.821 ( 2.447 -5.903 -1.011) 6.470 12.897 ( 1.400 -2.737 2.922) 4.241 13.370 ( 13.182 4.607 -6.048) 15.217 14.311 ( -0.452 -6.117 4.523) 7.621 14.533 ( 3.691 -7.977 0.145) 8.790 14.766 ( -1.051 -6.253 16.764) 17.923 15.200 ( -0.624 -0.570 2.196) 2.353 15.619 ( 6.354 6.768 3.066) 9.777 15.800 ( -1.653 -13.290 5.259) 14.388 16.840 ( -16.002 17.678 -2.286) 23.954 17.227 ( -0.896 1.635 4.191) 4.587 17.921 ( -8.910 1.244 -8.155) 12.143 18.157 ( -9.790 -1.791 -9.804) 13.970 25.014 ( -2.401 -1.422 1.928) 3.392 25.389 ( -15.481 -14.581 14.246) 25.597 26.781 ( 3.838 -2.961 2.509) 5.458 26.807 ( 3.439 -1.216 -3.790) 5.260 28.220 ( 0.526 7.480 -1.423) 7.633 28.320 ( 3.514 2.832 -0.409) 4.532 28.438 ( 4.507 2.612 -1.106) 5.325 28.816 ( -5.074 4.316 4.285) 7.921 28.967 ( 3.801 -3.537 2.891) 5.943 29.236 ( 3.675 4.237 1.822) 5.897 29.634 ( 11.401 4.361 -0.743) 12.229 29.973 ( -3.191 -2.610 1.819) 4.506 30.352 ( -7.962 6.002 -11.409) 15.152 30.894 ( 11.669 -4.637 -15.262) 19.763 ======================= Grid point 91 (39/156) ======================= q-point: ( 0.27 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 15.466 -4.283 6.937) 17.483 2.670 ( 24.984 13.174 10.220) 30.037 2.998 ( -2.916 19.220 0.764) 19.455 3.502 ( 15.556 3.899 10.116) 18.961 3.623 ( 11.204 -3.696 11.310) 16.343 3.741 ( -8.138 -6.001 8.800) 13.404 4.158 ( 0.045 -0.983 -3.199) 3.347 4.591 ( 8.374 -1.819 -15.387) 17.613 4.718 ( -0.642 -0.354 -11.601) 11.624 4.959 ( -2.447 -5.250 2.820) 6.443 5.185 ( -1.021 4.685 0.116) 4.796 5.332 ( 0.305 -3.118 2.132) 3.790 5.360 ( -4.259 -4.944 1.264) 6.647 5.567 ( -5.585 5.332 4.134) 8.758 5.817 ( -1.160 1.068 -0.472) 1.646 5.978 ( 4.384 4.689 0.216) 6.423 6.117 ( -1.033 -4.302 -3.548) 5.671 6.293 ( -14.687 3.921 1.807) 15.308 6.521 ( -3.634 0.707 -4.953) 6.184 6.825 ( -3.093 -0.369 2.731) 4.142 6.953 ( -4.498 0.398 1.407) 4.729 7.055 ( -0.940 1.328 -2.182) 2.722 7.150 ( -2.083 -0.483 2.004) 2.931 7.344 ( -0.452 -2.433 -3.304) 4.128 7.989 ( 10.484 -8.442 -1.821) 13.583 8.265 ( -2.697 -2.326 -8.147) 8.891 8.378 ( -1.383 -0.219 0.748) 1.587 8.633 ( -1.383 10.592 -1.902) 10.850 8.973 ( 5.690 -0.607 -0.462) 5.741 9.545 ( -11.610 -8.671 -4.006) 15.035 9.737 ( -2.103 3.757 3.164) 5.343 10.044 ( 0.520 8.230 -3.779) 9.071 10.575 ( 1.099 -0.133 0.792) 1.361 10.649 ( -4.986 -1.537 -3.371) 6.211 11.144 ( 4.856 -11.972 10.180) 16.448 11.366 ( -2.826 -9.980 -9.856) 14.309 11.788 ( -4.743 12.646 2.397) 13.717 12.094 ( -8.879 2.551 5.940) 10.983 12.399 ( 0.347 3.955 9.606) 10.394 12.823 ( -1.115 3.826 -4.452) 5.975 12.926 ( 0.727 -10.182 4.410) 11.119 13.577 ( 13.051 -1.362 -6.458) 14.625 14.343 ( 0.516 -2.851 3.763) 4.749 14.578 ( 3.468 -3.215 -3.585) 5.934 14.846 ( -1.409 -8.984 13.458) 16.243 15.201 ( 0.733 -1.733 -1.606) 2.474 15.697 ( -0.046 5.369 -3.466) 6.391 15.806 ( 0.948 1.433 4.590) 4.901 16.558 ( -13.836 12.102 -1.604) 18.451 17.220 ( -2.502 -2.030 2.890) 4.328 17.753 ( -5.612 2.034 -1.781) 6.230 17.941 ( -7.668 -0.752 -5.405) 9.411 24.975 ( -2.502 -1.164 0.206) 2.768 25.208 ( -11.718 -6.818 8.108) 15.797 26.837 ( 2.104 -0.890 -1.845) 2.936 26.864 ( 3.575 -2.286 1.707) 4.574 28.226 ( 1.427 7.759 -1.779) 8.087 28.387 ( 3.624 3.516 0.576) 5.082 28.512 ( 4.102 1.289 -0.817) 4.377 28.796 ( 0.214 3.908 1.866) 4.336 29.051 ( 3.628 -4.851 2.568) 6.580 29.294 ( 1.080 3.760 4.047) 5.628 29.810 ( -4.724 -6.195 -6.485) 10.136 29.854 ( 3.572 -1.088 -1.175) 3.915 30.204 ( -2.987 9.269 -2.967) 10.180 30.993 ( 8.143 -6.555 -8.102) 13.226 ======================= Grid point 92 (40/156) ======================= q-point: ( 0.36 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 2.261 6.400 -1.994) 7.075 3.058 ( 6.861 11.232 1.792) 13.283 3.128 ( 20.073 9.620 1.795) 22.331 3.469 ( -10.840 -7.612 8.311) 15.638 3.787 ( 5.495 -6.059 -0.658) 8.206 3.991 ( 12.244 10.207 9.127) 18.369 4.119 ( -4.168 2.491 -6.640) 8.226 4.444 ( -2.205 -5.430 -3.318) 6.735 4.776 ( -0.325 0.975 -10.531) 10.581 4.942 ( 4.383 -5.982 1.934) 7.663 5.186 ( 2.404 0.785 -4.005) 4.737 5.214 ( -7.092 4.331 -1.778) 8.498 5.359 ( -8.991 -4.504 6.734) 12.102 5.588 ( 5.366 -1.870 7.119) 9.108 5.812 ( -0.413 4.579 0.391) 4.614 5.962 ( -4.554 1.890 -4.083) 6.402 6.086 ( 6.607 7.285 -2.422) 10.129 6.159 ( -6.676 -5.432 0.938) 8.658 6.391 ( -4.289 2.746 -3.026) 5.924 6.720 ( -7.739 -7.793 -0.548) 10.996 6.954 ( -0.398 1.874 3.196) 3.726 7.033 ( 0.033 1.569 1.717) 2.326 7.141 ( 0.287 -0.198 0.011) 0.349 7.355 ( 0.450 -2.980 -0.233) 3.023 8.153 ( 7.350 -5.544 1.076) 9.269 8.220 ( 2.322 -4.821 -0.169) 5.354 8.391 ( 1.644 5.737 2.434) 6.445 8.594 ( -1.508 6.518 -2.325) 7.083 9.018 ( -1.297 -0.660 -0.266) 1.480 9.236 ( -15.406 -3.955 -1.523) 15.978 9.789 ( 3.631 4.098 2.964) 6.226 10.076 ( 4.371 5.098 -5.181) 8.482 10.517 ( -4.395 0.451 -3.056) 5.372 10.625 ( -0.018 -2.252 3.306) 4.000 11.224 ( -2.046 -9.869 -15.370) 18.380 11.315 ( 5.006 -10.302 8.742) 14.408 11.742 ( -3.082 8.222 6.083) 10.682 11.973 ( -6.958 0.566 1.953) 7.249 12.454 ( -0.815 6.182 10.210) 11.964 12.740 ( -4.522 2.185 -3.468) 6.104 12.976 ( 1.938 -5.624 1.991) 6.272 13.738 ( 8.364 -6.011 -4.712) 11.327 14.358 ( -0.511 0.245 0.930) 1.089 14.633 ( 4.501 -0.334 -2.539) 5.179 14.857 ( -3.602 -7.638 3.036) 8.974 15.203 ( 1.546 -7.749 -5.490) 9.621 15.615 ( -2.245 6.178 -9.474) 11.531 15.857 ( 1.437 12.362 1.301) 12.513 16.313 ( -11.379 6.856 -4.690) 14.088 17.193 ( -2.419 -6.096 5.266) 8.411 17.700 ( -1.559 2.368 4.932) 5.689 17.840 ( -2.923 0.014 4.100) 5.035 24.930 ( -1.857 -0.944 -1.582) 2.616 25.073 ( -7.470 -3.674 3.816) 9.158 26.859 ( 1.507 -1.142 -1.570) 2.457 26.931 ( 2.338 -1.994 2.698) 4.089 28.248 ( 2.118 6.407 -1.842) 6.995 28.451 ( 2.499 3.504 1.342) 4.509 28.565 ( 2.283 0.979 -1.507) 2.906 28.827 ( 1.620 3.508 1.509) 4.148 29.129 ( 4.453 -4.607 -2.332) 6.819 29.338 ( 0.224 3.007 7.073) 7.689 29.544 ( -11.550 -1.952 -11.074) 16.120 29.948 ( 1.936 -0.020 -0.382) 1.974 30.175 ( 0.949 4.654 -3.314) 5.791 31.111 ( 6.951 -8.507 3.649) 11.576 ======================= Grid point 93 (41/156) ======================= q-point: ( 0.45 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 4.946 16.505 -7.590) 18.828 3.096 ( -6.174 5.978 3.678) 9.348 3.311 ( 0.907 0.280 -5.342) 5.426 3.442 ( 2.023 2.053 -1.857) 3.429 3.851 ( 4.361 -7.707 -3.797) 9.635 3.896 ( -9.540 1.941 -14.258) 17.265 4.165 ( -0.307 7.978 7.835) 11.186 4.466 ( 4.136 -5.330 -5.680) 8.819 4.716 ( 0.823 -1.330 8.348) 8.494 5.027 ( -2.692 4.638 1.540) 5.579 5.080 ( -1.386 1.279 6.581) 6.846 5.211 ( 2.705 0.631 -4.365) 5.174 5.353 ( 7.154 0.128 -1.064) 7.234 5.666 ( -2.328 -1.015 -2.346) 3.457 5.807 ( 1.956 -4.487 2.214) 5.372 5.917 ( -6.997 0.049 4.384) 8.257 6.026 ( -1.512 -0.695 -4.061) 4.388 6.168 ( 3.341 6.846 -5.225) 9.238 6.372 ( 1.321 1.435 1.405) 2.404 6.559 ( -7.515 -9.895 -3.746) 12.977 6.939 ( -1.446 3.347 0.306) 3.659 7.091 ( 2.037 -1.176 7.701) 8.052 7.165 ( 1.859 -1.225 2.476) 3.330 7.345 ( -1.272 -1.189 0.939) 1.978 8.224 ( 0.140 -1.224 1.996) 2.345 8.365 ( 7.054 -3.946 10.574) 13.309 8.459 ( 2.832 3.738 1.266) 4.858 8.547 ( -0.453 2.925 -3.736) 4.767 8.923 ( -3.871 0.883 -0.722) 4.035 9.077 ( -4.401 -0.761 2.011) 4.898 9.851 ( 0.643 3.405 0.228) 3.472 10.114 ( 3.870 1.874 -7.019) 8.232 10.456 ( -0.650 0.482 0.901) 1.211 10.631 ( -1.501 -1.674 3.116) 3.843 11.079 ( -2.742 -5.932 -13.985) 15.437 11.445 ( 4.311 -5.727 1.367) 7.297 11.751 ( -1.597 -0.561 9.834) 9.978 11.887 ( -2.869 -0.062 1.658) 3.314 12.493 ( -2.235 8.282 8.727) 12.238 12.648 ( -2.105 -2.689 -3.284) 4.737 13.000 ( -0.169 0.248 -0.337) 0.451 13.821 ( 3.533 -8.476 -2.359) 9.481 14.344 ( -0.593 1.069 -1.736) 2.123 14.660 ( -1.621 7.830 -8.233) 11.477 14.772 ( -2.762 -9.824 -2.141) 10.427 15.170 ( 0.414 -12.773 -11.290) 17.053 15.559 ( 3.417 7.866 -8.899) 12.359 15.854 ( -2.545 13.540 -1.797) 13.894 16.092 ( -7.562 5.810 -8.536) 12.798 17.217 ( 0.059 -7.410 9.094) 11.730 17.748 ( 1.545 2.652 9.832) 10.300 17.881 ( 1.403 -0.676 12.380) 12.477 24.888 ( -1.292 -0.795 -3.031) 3.390 24.986 ( -3.757 -2.419 0.980) 4.575 26.870 ( 0.518 -1.334 -0.902) 1.691 26.982 ( 1.244 -2.192 3.266) 4.126 28.277 ( 2.154 5.081 -1.552) 5.733 28.486 ( 0.169 3.553 1.772) 3.974 28.570 ( -0.297 1.404 -2.846) 3.188 28.865 ( 1.227 3.104 1.982) 3.882 29.157 ( 1.571 -4.107 -8.523) 9.591 29.249 ( -9.426 -2.194 -7.930) 12.512 29.466 ( 4.955 5.168 7.702) 10.515 29.943 ( -0.986 2.990 -0.824) 3.255 30.162 ( 0.531 1.431 -6.406) 6.585 31.290 ( 6.608 -10.531 13.259) 18.177 ======================= Grid point 94 (42/156) ======================= q-point: (-0.45 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 10.338 9.962 -6.758) 15.868 2.959 ( -8.733 5.643 -2.714) 10.745 3.116 ( -17.029 5.047 -16.064) 23.948 3.309 ( -10.657 1.662 -2.435) 11.057 3.635 ( -9.265 -2.647 -11.956) 15.356 3.942 ( 6.240 -4.594 -0.154) 7.750 4.128 ( -4.394 3.984 5.153) 7.857 4.637 ( 16.603 -1.542 -11.603) 20.314 4.807 ( 1.361 -1.365 11.049) 11.216 4.975 ( -2.155 3.101 -2.353) 4.449 5.194 ( 6.318 2.502 17.949) 19.192 5.299 ( 4.347 0.076 1.004) 4.462 5.450 ( 0.735 5.109 -5.631) 7.639 5.540 ( -4.531 -3.132 0.589) 5.540 5.761 ( -6.186 0.614 -2.987) 6.897 5.857 ( -0.226 -1.883 3.564) 4.037 6.001 ( -1.455 0.517 -4.116) 4.396 6.191 ( 3.932 -0.081 -4.200) 5.753 6.386 ( -0.019 1.974 0.676) 2.087 6.478 ( 1.756 -4.095 -6.323) 7.735 6.930 ( -0.493 3.988 3.048) 5.044 7.175 ( 0.892 -2.362 6.415) 6.894 7.237 ( 2.752 -2.405 5.973) 7.002 7.313 ( -3.050 1.245 1.833) 3.770 8.243 ( 0.380 -0.705 5.895) 5.949 8.305 ( -9.261 4.545 -6.390) 12.135 8.569 ( 3.054 -5.901 8.765) 10.999 8.671 ( 10.144 -1.869 5.872) 11.869 8.965 ( 6.611 1.030 0.758) 6.734 9.049 ( 0.697 2.107 3.327) 3.999 9.797 ( -5.160 2.021 -3.081) 6.340 10.116 ( 2.703 -2.337 -11.578) 12.117 10.516 ( 4.925 0.688 3.780) 6.246 10.619 ( -1.951 -0.734 4.107) 4.606 10.973 ( -1.257 -2.438 -6.766) 7.301 11.443 ( -3.036 1.689 -5.624) 6.610 11.825 ( 4.556 -5.477 6.647) 9.744 11.904 ( 0.551 -2.946 8.409) 8.927 12.466 ( -4.838 2.644 6.364) 8.420 12.631 ( 1.461 -3.404 -5.742) 6.833 12.974 ( -1.707 5.733 -0.112) 5.983 13.847 ( 0.752 -8.648 -1.384) 8.790 14.311 ( -1.438 0.040 -3.835) 4.096 14.451 ( -8.718 6.506 -18.065) 21.088 14.766 ( -0.436 -5.524 1.663) 5.786 15.087 ( 0.078 -10.395 -15.789) 18.904 15.614 ( 6.227 3.484 -4.694) 8.541 15.698 ( -9.347 7.057 -10.896) 15.997 15.993 ( 1.246 13.959 -5.371) 15.009 17.296 ( 1.640 -7.006 10.052) 12.362 17.869 ( 3.750 2.703 12.714) 13.529 18.032 ( 5.052 -1.543 16.436) 17.264 24.843 ( -1.220 -0.542 -4.143) 4.353 24.950 ( -0.405 -2.119 -0.613) 2.242 26.865 ( -0.681 -0.998 -0.371) 1.264 27.016 ( 0.122 -2.694 3.628) 4.521 28.303 ( 1.500 4.379 -1.004) 4.737 28.477 ( -2.080 3.395 0.870) 4.075 28.522 ( -2.708 2.773 -3.021) 4.914 28.889 ( -0.096 2.656 1.986) 3.318 29.009 ( -7.433 -1.728 -9.036) 11.827 29.142 ( -0.333 -1.280 -8.702) 8.802 29.641 ( 8.117 0.128 6.311) 10.282 29.928 ( 0.322 3.248 -1.179) 3.471 30.125 ( 0.275 4.252 -4.969) 6.545 31.502 ( 5.782 -12.259 17.868) 22.427 ======================= Grid point 95 (43/156) ======================= q-point: (-0.36 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -22.167 1.868 -19.273) 29.433 2.557 ( -12.379 2.569 -2.378) 12.864 2.956 ( 5.637 1.760 -6.225) 8.581 3.112 ( -6.858 8.391 -1.611) 10.956 3.422 ( -6.291 -8.276 -9.355) 13.985 3.909 ( -16.834 8.404 8.905) 20.816 4.177 ( 8.320 -2.483 0.916) 8.731 4.721 ( -0.230 -5.378 -12.358) 13.480 4.879 ( 0.989 3.017 -2.071) 3.791 5.013 ( 5.491 3.851 4.283) 7.958 5.229 ( -10.813 -1.789 1.694) 11.090 5.366 ( 1.005 2.652 -3.901) 4.823 5.447 ( 7.167 -0.537 13.194) 15.025 5.583 ( 1.328 2.176 11.004) 11.295 5.784 ( 12.387 5.475 -3.391) 13.961 5.898 ( 4.520 -0.406 -4.187) 6.175 5.950 ( 0.143 0.195 -0.504) 0.559 6.235 ( 3.916 -1.023 -8.419) 9.341 6.381 ( -4.623 3.739 4.884) 7.694 6.517 ( 8.640 -4.529 -6.435) 11.686 6.942 ( -1.702 2.943 1.557) 3.740 7.115 ( -7.595 3.593 3.364) 9.051 7.318 ( 1.579 -1.762 5.570) 6.052 7.344 ( 2.986 0.088 5.403) 6.174 8.097 ( -7.265 7.123 -9.158) 13.689 8.291 ( -2.135 -5.224 6.903) 8.917 8.667 ( 4.863 -2.099 5.470) 7.614 8.868 ( 6.116 -7.395 6.247) 11.451 9.077 ( 2.553 2.254 11.731) 12.215 9.225 ( 16.533 -0.227 -0.689) 16.549 9.651 ( -6.292 0.216 -7.936) 10.130 10.086 ( 3.271 -6.614 -13.205) 15.127 10.602 ( -0.145 1.342 2.157) 2.545 10.654 ( 3.038 -1.456 8.477) 9.122 10.967 ( 2.364 0.565 2.200) 3.279 11.309 ( -5.293 5.070 -9.613) 12.089 11.963 ( 5.860 -2.202 1.660) 6.477 11.986 ( 0.812 -8.106 14.571) 16.694 12.433 ( -2.820 -3.500 5.981) 7.482 12.581 ( -0.837 -5.287 -11.650) 12.821 12.963 ( -0.011 10.840 1.359) 10.925 13.818 ( -3.248 -7.203 -2.496) 8.286 14.177 ( -8.457 5.401 -18.181) 20.767 14.243 ( -2.877 -2.799 -4.925) 6.353 14.752 ( -2.456 -4.716 2.194) 5.752 14.982 ( -0.315 -6.343 -16.980) 18.129 15.449 ( -8.186 5.109 -14.711) 17.593 15.689 ( 3.264 2.806 -1.028) 4.425 16.042 ( 8.155 17.451 -5.986) 20.171 17.383 ( 0.931 -6.600 9.099) 11.280 18.032 ( 5.195 2.911 12.694) 14.022 18.251 ( 7.141 -2.072 16.347) 17.958 24.797 ( -0.537 -0.095 -5.198) 5.227 24.956 ( 1.340 -2.325 -0.873) 2.822 26.840 ( -1.836 -0.174 -0.218) 1.857 27.029 ( -1.359 -3.202 3.830) 5.173 28.314 ( 0.265 4.549 -0.540) 4.588 28.416 ( -3.424 2.263 -4.764) 6.289 28.455 ( -3.737 5.084 1.812) 6.565 28.846 ( -4.435 -1.178 -6.399) 7.874 28.882 ( -2.269 2.920 -0.254) 3.707 29.073 ( -1.198 -2.012 -7.939) 8.277 29.784 ( 4.388 -2.074 0.600) 4.890 29.933 ( -0.032 -2.395 -0.260) 2.410 30.168 ( 7.724 11.749 -0.055) 14.060 31.712 ( 4.512 -14.131 19.195) 24.259 ======================= Grid point 96 (44/156) ======================= q-point: (-0.27 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -29.734 11.230 -22.264) 38.806 2.223 ( -29.481 -5.029 7.977) 30.953 2.995 ( 0.638 13.450 0.090) 13.465 3.172 ( 5.786 -6.624 -4.173) 9.736 3.358 ( 8.036 -13.526 -8.387) 17.830 3.500 ( -31.050 16.102 11.934) 36.957 4.337 ( 7.918 -0.009 -0.192) 7.920 4.511 ( -13.298 -1.001 -11.081) 17.339 4.841 ( -1.147 4.432 -1.830) 4.930 5.049 ( -5.503 1.178 3.019) 6.386 5.235 ( 9.663 -0.601 2.928) 10.115 5.354 ( 0.915 -1.970 -3.898) 4.463 5.552 ( 1.891 -1.546 4.704) 5.301 5.774 ( 5.130 -1.698 10.319) 11.648 5.900 ( 3.329 -3.094 0.699) 4.598 5.965 ( 0.974 0.327 4.857) 4.964 6.154 ( 15.947 6.553 -3.717) 17.637 6.230 ( 8.944 6.245 -15.592) 19.029 6.296 ( -7.095 2.126 7.967) 10.878 6.686 ( 9.690 -8.130 0.121) 12.649 6.830 ( -4.177 6.431 -7.850) 10.974 7.095 ( -0.242 7.032 8.222) 10.822 7.353 ( -1.157 -2.022 4.617) 5.172 7.431 ( 4.262 0.496 -0.014) 4.291 7.944 ( -2.533 8.547 -10.136) 13.498 8.223 ( -9.327 -10.851 7.212) 16.023 8.788 ( 3.022 4.988 2.717) 6.434 8.960 ( 0.879 1.836 2.283) 3.058 9.223 ( 2.548 -3.618 15.483) 16.103 9.521 ( 5.360 -6.223 -3.202) 8.815 9.602 ( 20.455 -3.325 -5.055) 21.331 10.079 ( 4.386 -10.462 -11.260) 15.984 10.600 ( -0.949 1.833 2.266) 3.065 10.758 ( 1.668 -2.495 10.236) 10.667 11.067 ( 4.501 0.987 6.482) 7.953 11.168 ( -2.436 6.947 -10.637) 12.936 12.034 ( -0.821 -3.997 8.093) 9.064 12.087 ( 1.785 -5.755 5.565) 8.203 12.432 ( -2.576 -5.310 4.646) 7.511 12.491 ( 1.299 -9.570 -12.047) 15.440 12.969 ( -0.173 14.558 -0.603) 14.571 13.687 ( -9.231 -5.285 -2.642) 10.960 13.928 ( -8.041 3.462 -13.397) 16.004 14.161 ( -2.498 -4.006 -4.571) 6.571 14.705 ( -3.738 -3.977 0.795) 5.516 14.872 ( -0.761 -3.585 -14.141) 14.608 15.252 ( -3.010 5.346 -13.884) 15.179 15.711 ( -0.236 4.640 -0.039) 4.646 16.213 ( 14.909 18.630 -6.427) 24.712 17.430 ( -1.906 -6.110 7.814) 10.101 18.204 ( 5.739 3.136 9.601) 11.617 18.468 ( 6.181 -2.211 12.352) 13.988 24.761 ( 0.324 0.475 -5.633) 5.662 24.980 ( 1.458 -2.573 -0.087) 2.959 26.796 ( -2.765 0.596 -0.379) 2.854 27.012 ( -3.241 -3.393 3.651) 5.945 28.305 ( -1.504 5.565 0.168) 5.767 28.315 ( -2.765 2.363 -6.683) 7.609 28.404 ( -3.532 5.162 2.272) 6.655 28.763 ( -1.153 -1.104 -3.640) 3.975 28.808 ( -4.180 2.458 -4.272) 6.462 29.017 ( -1.047 -1.561 -3.087) 3.614 29.827 ( 1.727 0.231 -1.717) 2.446 29.925 ( -0.746 -2.572 1.838) 3.248 30.373 ( 12.795 9.484 0.627) 15.939 31.896 ( 2.563 -17.574 18.028) 25.307 ======================= Grid point 97 (45/156) ======================= q-point: (-0.18 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -23.344 19.635 -4.414) 30.821 1.680 ( -34.984 1.404 10.894) 36.668 2.765 ( -39.341 27.900 13.591) 50.108 3.089 ( -2.127 0.713 0.298) 2.263 3.216 ( 2.115 5.694 2.069) 6.417 3.658 ( 19.456 -21.046 -7.032) 29.511 4.167 ( -15.087 1.804 -8.586) 17.452 4.458 ( 4.748 0.974 -0.531) 4.876 4.826 ( 0.481 3.724 -0.790) 3.837 5.030 ( 0.788 0.200 3.925) 4.008 5.318 ( 0.882 -5.930 -0.123) 5.997 5.411 ( 4.135 -0.544 -2.710) 4.974 5.618 ( 1.622 -5.837 4.701) 7.668 5.851 ( 2.378 -3.113 0.045) 3.918 5.940 ( -7.095 -3.871 6.678) 10.484 5.971 ( 0.968 -1.434 2.377) 2.940 6.144 ( -1.168 8.275 -6.567) 10.629 6.267 ( 1.020 3.482 3.401) 4.972 6.542 ( 14.992 5.204 -2.198) 16.021 6.711 ( 3.699 10.508 -3.899) 11.802 6.921 ( 8.892 -5.928 0.920) 10.726 7.154 ( 2.317 4.366 4.218) 6.498 7.332 ( -3.904 0.154 1.853) 4.325 7.499 ( 8.154 -1.288 -10.820) 13.609 7.882 ( -0.634 2.287 -4.814) 5.367 8.096 ( -6.922 -6.739 5.585) 11.159 8.778 ( -6.177 4.588 4.281) 8.805 8.904 ( -8.372 3.432 3.390) 9.662 9.289 ( 2.879 3.259 -6.668) 7.960 9.729 ( 10.381 -9.070 15.144) 20.479 9.981 ( 18.199 -11.948 -6.099) 22.608 10.140 ( 14.210 -11.883 -11.392) 21.746 10.612 ( 1.585 3.485 1.445) 4.092 10.826 ( -0.322 -3.550 3.947) 5.319 11.118 ( 3.710 7.071 -5.784) 9.860 11.172 ( 2.606 0.965 4.864) 5.602 12.012 ( -7.448 -3.799 6.328) 10.486 12.112 ( -0.690 -2.866 -0.260) 2.959 12.339 ( -4.271 -3.583 -9.001) 10.588 12.532 ( 3.426 -16.206 5.504) 17.454 12.948 ( -0.237 18.188 -3.938) 18.611 13.502 ( -10.998 -0.996 8.206) 13.758 13.729 ( -5.928 4.102 -5.423) 9.021 14.108 ( -1.200 -3.863 -0.607) 4.090 14.641 ( -2.743 -3.075 -0.681) 4.177 14.779 ( -1.951 -2.721 -8.292) 8.943 15.182 ( 4.025 5.254 -10.959) 12.802 15.685 ( -2.357 3.746 -0.407) 4.445 16.499 ( 21.332 22.493 -6.502) 31.674 17.409 ( -5.323 -4.988 6.905) 10.045 18.343 ( 4.445 3.198 3.995) 6.779 18.600 ( 1.783 -1.841 4.705) 5.358 24.740 ( 0.758 1.309 -3.118) 3.465 25.004 ( 0.543 -2.546 1.836) 3.185 26.740 ( -2.993 0.624 -0.500) 3.098 26.957 ( -5.052 -3.081 2.679) 6.496 28.223 ( -2.366 1.154 -4.821) 5.493 28.293 ( -0.037 7.917 -1.124) 7.996 28.353 ( -2.906 3.515 0.238) 4.567 28.698 ( -3.418 3.831 -6.110) 7.981 28.760 ( 1.480 -0.150 0.690) 1.640 28.994 ( -0.690 -0.564 0.731) 1.152 29.842 ( 1.193 1.026 -1.606) 2.248 29.951 ( 1.932 -0.868 4.912) 5.349 30.590 ( 11.109 6.195 -2.432) 12.950 31.996 ( -3.562 -25.195 10.972) 27.710 ======================= Grid point 98 (46/156) ======================= q-point: (-0.09 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -5.932 21.553 29.599) 37.092 1.186 ( -25.044 19.225 15.500) 35.172 2.139 ( -38.404 43.496 25.020) 63.189 3.091 ( 0.946 -7.723 1.115) 7.860 3.286 ( 3.511 9.587 -0.584) 10.227 3.804 ( -4.239 -4.627 -6.656) 9.148 4.014 ( 8.531 -13.600 -4.390) 16.644 4.503 ( 1.522 -1.171 -3.212) 3.742 4.848 ( 1.529 2.092 0.714) 2.688 5.109 ( 4.247 -3.413 4.759) 7.234 5.326 ( -2.473 -8.259 1.529) 8.756 5.395 ( -1.542 -2.239 -4.129) 4.944 5.657 ( -0.108 -5.798 4.107) 7.106 5.807 ( -7.179 -5.252 2.152) 9.151 5.918 ( 4.625 -0.037 0.407) 4.643 5.974 ( -2.278 1.436 -4.062) 4.873 6.173 ( 8.371 7.565 5.132) 12.396 6.238 ( -4.682 9.032 -3.972) 10.921 6.744 ( 9.082 1.143 7.099) 11.584 6.818 ( 4.985 4.939 -1.815) 7.249 7.022 ( 1.830 -3.778 -3.171) 5.261 7.202 ( -2.958 1.888 1.930) 4.005 7.291 ( 6.791 1.558 -4.131) 8.100 7.586 ( 3.761 -8.291 -10.615) 13.984 7.809 ( -1.495 -7.770 1.595) 8.072 8.130 ( 6.966 6.412 2.374) 9.760 8.577 ( -20.209 2.568 1.045) 20.399 8.768 ( -9.905 -2.704 9.775) 14.177 9.272 ( 1.772 2.736 -12.736) 13.147 9.856 ( -2.031 -2.734 3.432) 4.835 10.074 ( -4.172 -11.629 -21.826) 25.080 10.368 ( 9.256 -11.549 -6.950) 16.351 10.709 ( 10.304 6.580 -5.911) 13.580 10.792 ( 2.193 2.642 -6.434) 7.293 11.206 ( 1.790 4.832 -5.820) 7.773 11.271 ( 12.603 5.158 4.214) 14.254 11.863 ( -12.519 -3.276 9.597) 16.111 12.100 ( -1.717 -0.447 5.874) 6.136 12.222 ( -0.667 -4.287 -2.658) 5.088 12.640 ( 2.638 -16.531 7.367) 18.290 12.915 ( -0.666 18.143 -4.893) 18.803 13.351 ( -11.190 5.981 0.713) 12.709 13.896 ( 19.342 -4.417 37.905) 42.783 14.123 ( 0.787 -5.879 7.253) 9.370 14.607 ( -0.740 -2.206 -0.960) 2.517 14.706 ( -1.658 -2.090 -0.706) 2.760 15.255 ( 10.324 3.129 -7.750) 13.283 15.626 ( -3.577 0.899 -0.302) 3.701 16.902 ( 26.907 22.978 -8.933) 36.494 17.353 ( -3.213 -0.875 6.416) 7.229 18.398 ( 0.960 3.367 -3.132) 4.697 18.570 ( -5.170 -0.139 -4.149) 6.631 24.802 ( 7.179 -0.383 9.336) 11.784 25.028 ( 0.167 -2.567 5.208) 5.809 26.692 ( -1.579 0.026 -0.479) 1.650 26.864 ( -6.462 -2.723 1.086) 7.096 28.177 ( 0.140 -0.599 -3.377) 3.432 28.296 ( 0.522 6.789 -0.861) 6.863 28.311 ( -0.304 3.182 -2.022) 3.783 28.628 ( 1.102 9.424 -7.649) 12.187 28.821 ( 3.110 1.726 4.992) 6.129 29.003 ( 0.367 0.338 3.275) 3.313 29.853 ( 1.177 1.259 -0.936) 1.961 30.069 ( 7.210 -1.171 5.893) 9.386 30.721 ( 5.980 3.938 -6.483) 9.659 31.740 ( -31.946 -30.656 -10.531) 45.511 ======================= Grid point 99 (47/156) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 8.254 29.392 20.080) 36.541 1.873 ( 3.081 37.378 10.563) 38.964 2.753 ( -3.430 0.478 13.978) 14.401 2.902 ( -2.371 22.079 14.792) 26.681 3.450 ( 6.802 -21.806 -2.826) 23.016 3.526 ( -5.491 -2.934 -5.941) 8.606 3.919 ( -0.486 5.353 0.489) 5.398 4.374 ( -1.309 -7.081 -7.154) 10.151 4.860 ( 0.310 -0.181 -0.869) 0.941 5.116 ( 3.663 -5.090 5.554) 8.377 5.137 ( -4.451 -1.171 -5.079) 6.854 5.317 ( 3.146 -1.283 -3.061) 4.573 5.553 ( -1.685 -7.485 6.247) 9.894 5.665 ( -0.516 -5.961 3.935) 7.161 5.956 ( -2.039 3.704 -1.220) 4.401 5.995 ( -0.493 1.135 5.498) 5.635 6.337 ( 1.140 10.226 -6.281) 12.055 6.424 ( 4.367 3.117 1.986) 5.721 6.697 ( -7.028 -3.984 -4.641) 9.317 6.846 ( -2.664 -10.658 2.036) 11.173 6.992 ( -4.317 -0.732 -4.869) 6.548 7.122 ( 4.351 -1.489 -1.176) 4.746 7.218 ( 0.952 -1.115 4.308) 4.551 7.469 ( 5.180 -6.058 -6.020) 9.989 7.958 ( 6.529 4.872 -7.109) 10.812 8.123 ( -17.157 0.824 -7.315) 18.670 8.480 ( 6.906 6.283 1.108) 9.401 8.642 ( -5.492 -1.862 7.937) 9.830 9.396 ( 4.900 7.913 -10.909) 14.341 9.713 ( -7.055 -5.362 -10.794) 13.965 9.865 ( -2.015 6.121 0.642) 6.476 10.213 ( 0.780 -9.394 1.437) 9.535 10.879 ( 2.334 1.990 -3.356) 4.547 10.889 ( 2.688 2.725 -10.779) 11.438 11.213 ( -8.765 7.005 -12.405) 16.726 11.548 ( -6.966 -5.877 -2.039) 9.339 11.749 ( 9.216 2.327 8.959) 13.062 11.919 ( 2.846 -5.490 -3.591) 7.151 12.401 ( 9.367 1.023 16.044) 18.606 12.535 ( 3.215 -5.336 13.283) 14.671 13.134 ( -7.106 12.948 -5.136) 15.638 13.335 ( -0.822 3.666 -3.000) 4.808 14.035 ( 1.851 -6.419 13.933) 15.451 14.132 ( -0.554 -7.851 12.324) 14.623 14.648 ( 3.234 0.699 1.898) 3.815 14.744 ( 8.305 -4.062 10.440) 13.945 15.420 ( 7.843 0.929 -3.230) 8.532 15.511 ( -1.724 -2.829 0.799) 3.408 17.199 ( 0.377 4.184 1.251) 4.383 17.452 ( 3.247 -6.086 2.085) 7.206 18.411 ( -5.724 4.559 -11.006) 13.217 18.478 ( -3.758 1.061 -6.964) 7.984 24.945 ( 4.592 -2.821 7.673) 9.377 24.999 ( 0.520 -4.553 8.326) 9.504 26.676 ( -0.171 0.146 -1.114) 1.137 26.722 ( -2.109 -1.751 -0.926) 2.894 28.180 ( 2.382 0.973 -2.528) 3.607 28.252 ( 1.092 -1.837 -2.008) 2.933 28.484 ( 0.304 7.012 0.987) 7.088 28.707 ( 1.331 -2.778 1.012) 3.243 29.008 ( 1.941 3.058 4.559) 5.823 29.075 ( 2.864 0.194 6.064) 6.709 29.919 ( 1.342 3.071 -0.329) 3.368 30.089 ( -1.778 -4.456 0.061) 4.798 30.779 ( -2.558 3.387 -10.568) 11.389 30.867 ( -13.628 0.525 -13.332) 19.072 ======================= Grid point 100 (48/156) ======================= q-point: ( 0.09 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 2.131 34.660 11.195) 36.485 2.061 ( 12.591 22.727 23.952) 35.338 2.900 ( 9.488 -0.937 13.783) 16.759 3.058 ( 7.970 15.491 12.998) 21.735 3.386 ( -5.243 -7.746 -3.058) 9.841 3.506 ( 0.660 -16.222 1.193) 16.279 3.977 ( 7.074 4.370 -1.522) 8.453 4.343 ( 2.993 -3.580 -5.823) 7.463 4.888 ( 3.450 -0.154 -1.839) 3.912 5.016 ( -5.051 3.709 -3.854) 7.357 5.225 ( 3.430 -7.863 3.364) 9.214 5.337 ( 1.056 1.104 -2.950) 3.322 5.506 ( -7.641 -8.546 1.801) 11.604 5.678 ( 1.116 -5.355 -0.366) 5.482 5.921 ( -1.480 6.277 1.434) 6.606 5.960 ( -4.169 3.993 3.334) 6.666 6.351 ( -9.641 3.535 -2.847) 10.656 6.430 ( 7.997 6.011 -2.666) 10.353 6.624 ( -2.110 -2.802 3.123) 4.697 6.799 ( 1.783 -11.934 -4.609) 12.917 6.936 ( 0.334 1.384 -2.821) 3.160 7.151 ( -1.890 -8.013 2.288) 8.545 7.254 ( -1.031 4.970 1.845) 5.400 7.508 ( 2.074 -6.497 -5.669) 8.868 7.804 ( -8.848 4.993 -10.543) 14.641 8.063 ( 8.672 -6.797 -8.804) 14.104 8.567 ( -5.980 2.149 5.263) 8.251 8.639 ( 7.476 -0.135 0.856) 7.526 9.312 ( -7.157 13.319 -16.333) 22.257 9.536 ( -1.576 0.032 -4.106) 4.398 9.863 ( -1.431 4.307 4.885) 6.667 10.205 ( -2.364 -8.914 1.959) 9.428 10.790 ( -6.798 3.964 -7.701) 11.011 10.861 ( -2.803 -0.748 -2.168) 3.622 10.988 ( -6.204 4.420 -8.211) 11.200 11.368 ( -7.194 -10.366 -5.114) 13.614 11.997 ( 8.045 0.894 7.242) 10.861 12.001 ( 4.951 0.181 8.753) 10.058 12.553 ( -3.165 0.917 9.633) 10.181 12.677 ( 1.563 -4.129 10.489) 11.380 12.959 ( -4.156 14.454 -5.570) 16.037 13.345 ( 3.804 1.718 -5.023) 6.531 14.146 ( -2.298 -7.221 7.518) 10.674 14.174 ( 4.567 -8.800 12.235) 15.747 14.713 ( 1.985 2.789 3.853) 5.154 14.990 ( 7.145 -9.635 11.427) 16.567 15.520 ( 3.255 0.364 4.998) 5.976 15.566 ( 7.574 -2.163 -1.561) 8.030 17.218 ( 0.098 4.792 0.951) 4.886 17.400 ( -10.335 -0.598 5.063) 11.524 18.195 ( -8.466 4.209 -13.559) 16.530 18.329 ( -7.080 -1.667 -10.332) 12.636 24.995 ( -0.939 -1.592 3.804) 4.229 25.105 ( -0.061 -10.991 13.236) 17.204 26.682 ( 2.277 0.053 -1.040) 2.503 26.729 ( 3.211 -1.636 -2.616) 4.454 28.239 ( 5.456 1.446 -1.915) 5.960 28.292 ( 4.171 -0.593 -1.959) 4.647 28.498 ( 0.850 6.503 0.582) 6.584 28.745 ( 1.619 -4.766 2.137) 5.468 29.040 ( -2.961 3.587 8.607) 9.784 29.165 ( 1.559 -1.589 9.260) 9.524 29.868 ( -6.504 8.157 -6.936) 12.528 29.991 ( -3.565 0.466 1.334) 3.835 30.633 ( -3.721 3.529 -13.701) 14.629 30.732 ( 5.206 -1.081 -14.490) 15.435 ======================= Grid point 101 (49/156) ======================= q-point: ( 0.18 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 3.032 22.608 12.160) 25.849 2.491 ( 18.134 17.742 19.407) 31.941 3.160 ( 2.778 -16.764 8.419) 18.964 3.213 ( 6.998 -9.408 4.770) 12.658 3.432 ( 9.185 12.992 3.983) 16.402 3.548 ( 4.577 0.053 9.339) 10.401 4.119 ( 8.574 3.882 -3.115) 9.914 4.428 ( 8.662 -0.248 -0.655) 8.690 4.866 ( -3.412 2.906 -11.119) 11.988 4.966 ( 0.654 1.917 -0.096) 2.028 5.238 ( -1.513 -4.473 -4.012) 6.196 5.285 ( -6.649 -4.299 -0.536) 7.935 5.386 ( -2.599 0.335 1.279) 2.915 5.725 ( 3.204 -7.919 0.309) 8.549 5.835 ( -7.760 8.012 4.202) 11.919 5.980 ( 2.389 2.440 2.057) 3.987 6.158 ( -7.552 3.187 -1.395) 8.315 6.497 ( -4.915 -6.255 1.009) 8.019 6.602 ( 1.427 6.884 -0.855) 7.082 6.829 ( 2.526 -4.550 -3.514) 6.279 6.981 ( 5.657 -1.081 -3.472) 6.725 7.082 ( -6.062 -3.103 0.174) 6.812 7.190 ( -4.683 3.990 -0.568) 6.178 7.419 ( -6.557 -4.715 -6.706) 10.498 7.734 ( 4.936 0.977 -3.360) 6.051 8.122 ( 4.604 -14.753 -13.946) 20.817 8.496 ( -4.343 7.177 6.429) 10.569 8.755 ( 4.197 -3.547 -0.448) 5.513 9.092 ( -6.195 15.453 -6.902) 18.023 9.505 ( -1.557 -5.499 -5.376) 7.847 9.857 ( -2.325 5.192 4.172) 7.055 10.165 ( -3.120 -5.337 2.941) 6.846 10.624 ( -5.782 4.327 -2.822) 7.753 10.749 ( -5.776 -1.771 -4.188) 7.351 10.920 ( 0.694 0.400 -2.098) 2.246 11.241 ( -3.136 -11.057 -6.904) 13.408 12.073 ( -1.536 6.731 6.520) 9.496 12.174 ( -0.598 -0.755 15.943) 15.972 12.475 ( -7.039 4.433 4.968) 9.690 12.672 ( -2.083 -6.741 4.244) 8.234 12.961 ( 3.496 9.121 -4.860) 10.911 13.399 ( 6.134 -3.403 -6.819) 9.783 14.190 ( 2.381 -3.546 6.676) 7.926 14.337 ( 5.656 -8.957 8.769) 13.752 14.762 ( 0.889 4.465 3.337) 5.644 15.102 ( 0.970 -8.505 2.979) 9.063 15.648 ( 5.155 -1.076 6.477) 8.348 15.703 ( 7.707 0.622 3.660) 8.555 17.116 ( -13.281 8.915 -1.438) 16.060 17.262 ( -6.469 0.926 6.094) 8.935 17.967 ( -7.610 3.227 -10.779) 13.583 18.110 ( -9.042 -2.749 -10.344) 14.011 24.985 ( -2.299 -0.856 2.988) 3.866 25.123 ( -5.322 -9.557 9.775) 14.670 26.744 ( 4.509 -0.597 -0.407) 4.567 26.777 ( 3.720 -1.534 -3.197) 5.139 28.332 ( 5.224 3.455 -2.016) 6.579 28.367 ( 5.327 1.288 -1.247) 5.621 28.524 ( 1.819 5.586 -0.177) 5.877 28.785 ( 1.149 -5.558 2.439) 6.177 29.024 ( -3.554 6.451 7.995) 10.870 29.248 ( 0.493 -2.655 10.916) 11.245 29.760 ( 0.744 6.452 -6.111) 8.918 29.922 ( -5.443 -2.264 -2.317) 6.334 30.490 ( -3.100 6.843 -10.224) 12.687 30.772 ( 7.046 -6.678 -12.795) 16.062 ======================= Grid point 102 (50/156) ======================= q-point: ( 0.27 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 9.251 11.913 8.499) 17.313 2.929 ( 18.531 11.456 13.185) 25.465 3.141 ( -2.861 -21.188 5.305) 22.028 3.442 ( 6.080 -4.860 8.950) 11.862 3.539 ( 5.582 12.787 0.704) 13.970 3.851 ( 17.248 6.851 6.702) 19.732 4.217 ( 2.118 7.467 4.083) 8.770 4.545 ( 1.400 -2.576 -10.137) 10.552 4.752 ( 1.284 0.711 -6.920) 7.074 4.907 ( -4.216 0.936 -2.108) 4.806 5.127 ( -5.638 -7.169 -4.056) 9.982 5.231 ( -3.081 -4.476 4.798) 7.249 5.397 ( 2.772 6.150 1.068) 6.830 5.676 ( -6.797 0.528 -0.705) 6.854 5.821 ( 1.259 3.186 4.419) 5.591 6.017 ( -0.859 -1.978 3.923) 4.476 6.112 ( 4.490 4.594 -3.236) 7.192 6.339 ( -11.593 -1.387 1.115) 11.728 6.562 ( -4.527 3.596 -5.653) 8.086 6.766 ( -7.760 -5.257 -5.314) 10.774 6.977 ( -1.462 1.730 -1.796) 2.890 7.058 ( 0.304 -1.000 -0.643) 1.227 7.140 ( 0.807 0.845 -1.056) 1.575 7.289 ( -2.415 -3.154 -3.277) 5.149 7.865 ( 9.585 -2.685 0.426) 9.963 8.081 ( 0.993 -11.045 -8.812) 14.164 8.500 ( -0.196 8.468 5.924) 10.336 8.774 ( -2.012 -0.083 0.616) 2.106 9.013 ( 0.007 6.532 -3.624) 7.469 9.366 ( -9.841 -8.452 -5.411) 14.056 9.857 ( 0.409 7.825 3.842) 8.727 10.155 ( 0.698 0.378 0.883) 1.187 10.560 ( -1.380 -0.330 0.362) 1.465 10.628 ( -4.562 -0.742 -4.463) 6.424 10.957 ( 3.447 -4.302 1.283) 5.660 11.157 ( -1.698 -9.609 -6.455) 11.700 12.008 ( -8.890 7.772 6.055) 13.271 12.124 ( -10.834 0.333 8.065) 13.510 12.480 ( 1.578 3.731 8.201) 9.147 12.715 ( 2.404 -8.891 4.567) 10.280 12.966 ( 1.634 10.057 -5.817) 11.732 13.471 ( 6.410 -9.172 -7.003) 13.201 14.294 ( 3.879 -0.435 5.823) 7.011 14.471 ( 4.671 -6.819 3.607) 9.018 14.790 ( 1.168 3.303 0.218) 3.511 15.092 ( -1.246 -7.972 -3.574) 8.824 15.747 ( 3.568 3.807 0.984) 5.310 15.890 ( 6.939 1.472 9.529) 11.879 16.819 ( -16.671 11.996 -2.463) 20.686 17.156 ( -8.185 -4.275 1.102) 9.299 17.808 ( -4.665 3.046 -3.574) 6.619 17.916 ( -6.281 -1.709 -4.755) 8.060 24.954 ( -2.596 -0.478 1.394) 2.985 25.062 ( -6.195 -6.235 5.850) 10.559 26.816 ( 2.668 -0.934 -2.795) 3.975 26.823 ( 3.835 -1.407 0.485) 4.114 28.389 ( 2.855 6.584 -2.549) 7.615 28.458 ( 4.438 2.448 0.335) 5.079 28.560 ( 2.545 3.965 -0.849) 4.787 28.820 ( 1.218 -4.084 2.076) 4.740 29.037 ( 1.250 5.247 2.867) 6.109 29.308 ( -1.071 -3.049 9.100) 9.657 29.739 ( -5.119 -0.120 -6.527) 8.296 29.826 ( 2.116 -1.857 -1.113) 3.027 30.398 ( -2.137 9.462 -5.110) 10.964 30.814 ( 4.933 -10.011 -7.283) 13.326 ======================= Grid point 103 (51/156) ======================= q-point: ( 0.36 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 13.057 10.495 4.163) 17.262 3.145 ( -1.305 -14.964 7.630) 16.847 3.288 ( 11.350 5.417 6.334) 14.081 3.504 ( 0.653 15.677 2.555) 15.897 3.659 ( 5.861 -0.332 -3.795) 6.990 4.158 ( 10.449 2.221 5.833) 12.171 4.215 ( -6.760 6.880 -0.291) 9.650 4.412 ( -2.417 1.454 -7.589) 8.096 4.720 ( -2.347 -3.997 -7.601) 8.903 4.891 ( 3.627 -1.695 1.688) 4.345 5.104 ( 0.774 -8.318 8.520) 11.933 5.183 ( -1.201 -2.010 -0.833) 2.485 5.415 ( -4.178 7.004 -0.036) 8.156 5.574 ( -1.799 -0.600 -0.941) 2.117 5.868 ( 1.113 1.868 3.507) 4.127 6.013 ( -0.805 -0.616 -3.611) 3.751 6.124 ( -10.077 4.320 0.852) 10.997 6.233 ( 6.909 5.566 0.252) 8.875 6.415 ( -5.393 -0.212 -6.830) 8.704 6.547 ( -10.862 -8.194 -5.483) 14.669 6.958 ( -1.249 -0.435 2.039) 2.430 7.032 ( -1.908 -2.161 1.837) 3.418 7.161 ( 1.805 2.176 -2.576) 3.825 7.284 ( 1.893 -3.484 -1.343) 4.186 8.058 ( 9.806 -2.925 2.387) 10.508 8.112 ( 5.376 -4.883 2.435) 7.660 8.540 ( 1.093 7.876 2.808) 8.433 8.704 ( -5.114 2.935 -0.959) 5.974 9.004 ( -0.456 -0.101 -1.563) 1.631 9.138 ( -10.326 -5.025 -2.533) 11.760 9.917 ( 3.373 8.084 1.782) 8.939 10.176 ( 1.716 2.457 -3.637) 4.713 10.515 ( -4.132 -1.059 -1.554) 4.540 10.567 ( -0.330 -2.571 1.285) 2.893 11.019 ( 2.129 -6.874 -5.826) 9.259 11.128 ( 1.921 -8.047 4.180) 9.270 11.879 ( -8.167 4.750 4.452) 10.445 11.970 ( -8.785 -0.795 2.581) 9.191 12.567 ( 2.029 4.403 7.050) 8.556 12.729 ( -3.666 -3.375 0.758) 5.040 13.001 ( 5.218 8.751 -1.646) 10.321 13.538 ( 4.838 -12.705 -4.243) 14.241 14.370 ( 1.010 1.617 2.955) 3.517 14.558 ( 3.339 -5.825 1.527) 6.886 14.806 ( 2.298 1.672 -6.140) 6.765 15.028 ( -1.390 -8.134 -8.189) 11.626 15.781 ( 0.736 9.298 -4.040) 10.165 16.029 ( 2.490 2.394 4.463) 5.643 16.520 ( -13.389 12.630 -3.260) 18.692 17.024 ( -5.918 -9.877 2.642) 11.814 17.757 ( -1.284 2.777 3.932) 4.982 17.833 ( -2.481 -0.737 3.220) 4.131 24.913 ( -2.117 -0.386 -0.396) 2.188 24.987 ( -4.838 -3.954 2.703) 6.807 26.839 ( 1.508 -0.461 -1.728) 2.339 26.884 ( 2.449 -2.267 0.999) 3.484 28.409 ( 1.465 8.145 -2.707) 8.707 28.524 ( 2.419 2.627 0.940) 3.693 28.599 ( 2.301 2.815 -1.333) 3.873 28.853 ( 0.946 -3.537 2.011) 4.177 29.087 ( 3.594 2.500 -2.937) 5.271 29.305 ( -3.845 -4.690 2.147) 6.433 29.605 ( -3.498 6.568 -2.317) 7.794 29.887 ( 2.647 -5.208 0.522) 5.865 30.339 ( -1.611 10.434 -2.807) 10.924 30.876 ( 4.352 -13.404 1.378) 14.160 ======================= Grid point 104 (52/156) ======================= q-point: ( 0.45 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 5.885 15.798 -0.938) 16.885 3.153 ( -3.703 -4.441 4.209) 7.152 3.342 ( -2.903 4.928 3.933) 6.941 3.557 ( -0.281 5.118 -3.123) 6.002 3.711 ( 4.622 -0.992 -6.753) 8.243 3.953 ( -16.131 2.893 -9.933) 19.164 4.232 ( -2.544 -1.348 1.058) 3.068 4.435 ( 8.865 -0.675 -8.729) 12.459 4.715 ( 2.880 1.952 7.497) 8.265 5.014 ( 5.847 -0.239 0.896) 5.920 5.139 ( -3.940 -4.673 12.990) 14.356 5.213 ( 1.426 4.261 6.966) 8.289 5.384 ( 6.895 2.775 -5.516) 9.255 5.565 ( -0.653 -6.655 0.446) 6.702 5.826 ( -6.679 4.612 -7.126) 10.801 5.957 ( -1.718 3.434 1.663) 4.184 6.028 ( -0.206 -0.237 -1.214) 1.254 6.257 ( -3.992 -0.789 -10.315) 11.088 6.323 ( -1.957 -4.657 -0.288) 5.060 6.431 ( 2.330 -0.455 1.021) 2.584 6.948 ( -0.833 -0.975 1.915) 2.305 7.048 ( 0.633 -3.871 6.771) 7.825 7.180 ( 2.125 3.128 -1.535) 4.081 7.309 ( 0.878 -2.242 0.559) 2.472 8.205 ( 3.490 -0.274 4.170) 5.445 8.278 ( 6.593 -3.778 9.498) 12.164 8.552 ( -2.422 4.407 -0.874) 5.104 8.605 ( -1.724 2.061 -3.899) 4.735 8.945 ( -2.149 1.447 -0.375) 2.617 9.046 ( -1.301 -2.262 2.225) 3.430 9.954 ( -0.319 6.387 -2.649) 6.922 10.151 ( -0.339 0.548 -9.129) 9.152 10.465 ( -0.374 0.592 2.057) 2.173 10.580 ( -0.014 -3.415 3.045) 4.576 10.980 ( -0.315 -1.735 -5.673) 5.941 11.254 ( 5.409 -11.161 8.176) 14.855 11.780 ( -5.225 2.366 2.529) 6.269 11.863 ( -3.994 -1.820 1.151) 4.538 12.610 ( -2.797 0.149 -1.950) 3.412 12.637 ( -3.035 3.553 1.103) 4.801 13.095 ( 4.128 8.872 2.190) 10.027 13.595 ( 3.108 -12.609 -0.299) 12.989 14.370 ( -1.547 2.225 -0.710) 2.801 14.591 ( -1.080 -7.371 -0.815) 7.495 14.791 ( 2.334 3.686 -11.415) 12.220 14.954 ( 0.041 -7.701 -10.446) 12.978 15.724 ( -1.309 8.556 -9.820) 13.090 15.984 ( -6.814 -0.255 -8.072) 10.566 16.360 ( -2.711 17.452 2.235) 17.802 17.010 ( 0.124 -12.243 8.512) 14.911 17.803 ( 1.663 2.295 9.036) 9.470 17.863 ( 1.195 -0.971 9.876) 9.996 24.874 ( -1.490 -0.348 -1.888) 2.430 24.927 ( -2.733 -2.807 0.443) 3.943 26.850 ( 0.717 -0.166 -0.939) 1.193 26.925 ( 1.212 -3.036 1.516) 3.603 28.415 ( 1.124 7.536 -2.698) 8.083 28.552 ( 0.368 1.865 -0.418) 1.947 28.621 ( 0.653 3.722 -0.637) 3.832 28.875 ( 0.037 -4.499 1.930) 4.896 29.099 ( 0.502 0.996 -7.529) 7.612 29.210 ( -4.016 -1.799 -5.286) 6.878 29.605 ( 1.339 7.670 5.294) 9.415 29.910 ( -0.002 -5.475 -0.582) 5.505 30.313 ( 0.486 12.433 -1.294) 12.510 30.995 ( 5.015 -16.947 9.227) 19.937 ======================= Grid point 105 (53/156) ======================= q-point: (-0.45 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -5.767 10.618 -4.579) 12.922 2.994 ( -14.041 -3.334 -2.753) 14.692 3.267 ( -17.312 7.013 -7.846) 20.259 3.417 ( -0.897 7.952 -0.274) 8.007 3.577 ( -15.525 -1.345 -13.667) 20.727 3.827 ( 12.438 -5.584 -1.148) 13.682 4.219 ( -0.971 4.734 1.189) 4.977 4.539 ( 6.786 -7.989 -7.014) 12.612 4.843 ( 2.115 4.838 10.057) 11.358 5.063 ( 3.725 5.537 2.953) 7.298 5.219 ( 2.703 -2.678 13.090) 13.632 5.289 ( -1.335 -1.976 2.318) 3.326 5.486 ( -1.010 1.714 3.467) 3.998 5.566 ( 6.336 3.764 -2.851) 7.902 5.708 ( 1.701 -1.766 -4.618) 5.228 5.938 ( -3.260 -4.294 -8.233) 9.841 5.968 ( -2.352 6.064 3.055) 7.186 6.215 ( 6.562 2.668 -7.567) 10.365 6.336 ( 3.023 -2.853 0.004) 4.157 6.470 ( 0.676 -0.962 -1.264) 1.726 6.971 ( 2.442 0.852 1.260) 2.877 7.122 ( 1.482 -4.320 9.004) 10.096 7.220 ( 2.006 2.263 1.383) 3.325 7.318 ( -0.856 -0.788 2.995) 3.213 8.235 ( -2.625 0.396 6.487) 7.009 8.404 ( -0.170 -7.260 11.318) 13.448 8.428 ( -5.780 5.950 -5.941) 10.203 8.642 ( 5.530 -2.311 -2.975) 6.691 8.996 ( 6.607 2.045 1.615) 7.102 9.070 ( 1.727 -0.277 4.745) 5.057 9.861 ( -6.125 4.096 -6.413) 9.768 10.052 ( -2.185 -3.831 -13.779) 14.468 10.528 ( 4.057 0.635 4.241) 5.903 10.601 ( 0.221 -1.388 3.135) 3.436 10.969 ( 1.250 3.375 0.398) 3.621 11.376 ( 2.105 -9.991 5.590) 11.640 11.734 ( -0.710 -0.086 2.366) 2.472 11.844 ( 0.786 -2.985 1.454) 3.412 12.487 ( -5.857 1.005 -3.497) 6.895 12.597 ( -2.920 -1.478 -4.350) 5.444 13.175 ( 2.328 12.363 5.505) 13.732 13.648 ( 2.018 -10.149 1.829) 10.509 14.304 ( -4.038 0.735 -4.485) 6.079 14.478 ( -6.993 -4.049 -11.391) 13.966 14.756 ( 0.288 3.134 -6.474) 7.199 14.911 ( 2.119 -6.244 -10.581) 12.467 15.654 ( 0.730 1.731 -9.532) 9.715 15.753 ( -8.732 -0.046 -14.182) 16.655 16.399 ( 3.542 21.136 3.093) 21.653 17.100 ( 2.793 -11.863 9.125) 15.225 17.923 ( 4.220 2.182 11.771) 12.694 17.995 ( 4.862 -1.828 14.101) 15.027 24.836 ( -1.053 0.043 -2.885) 3.071 24.897 ( -0.473 -2.665 -0.890) 2.850 26.853 ( 0.092 0.268 -0.494) 0.569 26.948 ( 0.158 -3.567 1.921) 4.054 28.419 ( 1.153 6.191 -2.638) 6.827 28.531 ( -1.497 1.497 -2.699) 3.430 28.613 ( -1.713 5.327 1.167) 5.716 28.868 ( -1.577 -5.547 -1.278) 5.907 29.021 ( -3.062 3.473 -5.423) 7.131 29.119 ( -2.298 -1.022 -7.405) 7.820 29.684 ( 3.237 3.734 4.915) 6.970 29.891 ( -1.163 -4.784 -0.780) 4.985 30.353 ( 4.163 15.850 1.139) 16.427 31.160 ( 5.105 -19.602 13.227) 24.192 ======================= Grid point 106 (54/156) ======================= q-point: (-0.36 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( -12.860 3.038 -2.720) 13.491 2.624 ( -21.299 3.590 -13.180) 25.303 2.873 ( -12.467 -5.229 -5.759) 14.695 3.200 ( -13.156 -12.305 -13.073) 22.258 3.479 ( 1.731 21.633 0.615) 21.711 4.036 ( 3.682 -0.484 1.145) 3.887 4.190 ( 0.504 6.352 3.473) 7.257 4.563 ( -1.161 -9.097 -2.181) 9.427 4.932 ( 3.599 1.999 4.695) 6.244 5.094 ( -4.826 -3.366 4.361) 7.324 5.215 ( -3.380 7.817 -1.145) 8.593 5.402 ( 1.757 1.610 0.031) 2.383 5.457 ( 5.421 -0.090 8.019) 9.680 5.640 ( 0.364 2.665 -0.426) 2.723 5.773 ( -0.889 -5.190 1.676) 5.526 5.867 ( 4.757 -4.914 1.601) 7.024 6.066 ( 10.434 10.936 -0.533) 15.125 6.287 ( 7.404 5.451 -12.652) 15.640 6.399 ( 1.838 -3.905 3.113) 5.321 6.460 ( 1.722 1.027 -3.176) 3.756 7.022 ( 2.147 4.536 -3.076) 5.886 7.188 ( -0.072 1.065 7.417) 7.494 7.258 ( 1.116 -1.210 2.975) 3.400 7.349 ( 0.958 -0.598 7.503) 7.588 8.190 ( -7.434 -1.031 6.216) 9.745 8.303 ( -3.967 9.820 -6.234) 12.290 8.523 ( 8.873 -11.614 12.713) 19.371 8.708 ( 2.433 -7.466 -1.138) 7.934 9.123 ( 2.330 2.108 5.692) 6.502 9.204 ( 12.039 -1.674 1.143) 12.209 9.683 ( -7.014 3.186 -10.237) 12.811 9.929 ( -1.195 -7.765 -13.786) 15.867 10.623 ( 0.565 -0.077 3.944) 3.985 10.630 ( 3.622 -0.273 2.257) 4.277 11.034 ( 3.496 6.422 5.907) 9.399 11.381 ( -2.630 -1.252 -0.266) 2.925 11.791 ( 3.173 -6.401 6.467) 9.636 11.894 ( 3.432 -4.405 0.790) 5.640 12.373 ( -4.209 -0.802 -3.455) 5.504 12.488 ( -4.298 -4.169 -7.512) 9.606 13.249 ( 1.249 14.644 7.240) 16.384 13.673 ( -0.968 -6.726 1.192) 6.899 14.175 ( -5.957 -2.158 -6.175) 8.848 14.231 ( -9.336 -1.064 -16.684) 19.148 14.725 ( -0.998 1.783 -2.062) 2.903 14.875 ( 1.051 -4.263 -11.131) 11.966 15.511 ( -6.226 2.157 -13.902) 15.385 15.653 ( 2.635 -3.891 -6.389) 7.931 16.508 ( 7.394 22.885 0.274) 24.052 17.202 ( 2.510 -10.887 7.067) 13.220 18.092 ( 6.024 2.702 11.988) 13.686 18.199 ( 7.202 -2.659 14.644) 16.535 24.803 ( -0.287 0.857 -3.443) 3.560 24.896 ( 0.904 -3.170 -1.113) 3.479 26.846 ( -0.747 0.932 -0.358) 1.247 26.953 ( -1.088 -3.797 2.139) 4.492 28.421 ( 0.927 5.084 -2.662) 5.813 28.471 ( -2.854 2.490 -4.051) 5.546 28.575 ( -3.528 5.813 2.242) 7.160 28.796 ( -3.187 -3.871 -5.771) 7.645 28.951 ( -3.014 3.163 -1.456) 4.605 29.029 ( -2.427 -1.825 -5.970) 6.698 29.771 ( 3.743 0.748 2.052) 4.334 29.870 ( -0.737 -3.317 0.305) 3.411 30.472 ( 7.198 17.266 2.864) 18.924 31.329 ( 3.802 -21.408 14.030) 25.877 ======================= Grid point 107 (55/156) ======================= q-point: (-0.27 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -21.458 18.522 -14.372) 31.782 2.202 ( -21.615 4.506 4.163) 22.469 2.799 ( 4.626 -18.972 -6.361) 20.538 2.953 ( -4.878 -21.301 -8.464) 23.434 3.502 ( 0.070 23.070 0.784) 23.083 3.874 ( -18.396 14.404 7.545) 24.552 4.328 ( 7.007 -0.918 -1.745) 7.279 4.472 ( -7.700 -2.698 1.675) 8.329 4.970 ( -1.592 6.555 0.217) 6.749 5.021 ( -4.378 -2.560 3.413) 6.113 5.231 ( 4.869 -2.244 -0.791) 5.419 5.316 ( -2.864 2.134 -6.864) 7.737 5.568 ( -1.834 -0.367 4.514) 4.887 5.723 ( 4.133 -4.028 7.195) 9.224 5.782 ( 2.372 -3.374 1.385) 4.350 5.950 ( 0.379 -2.598 3.697) 4.535 6.182 ( 3.862 1.016 -3.968) 5.630 6.348 ( 0.002 -0.333 4.398) 4.410 6.465 ( 8.839 8.730 -4.897) 13.354 6.587 ( 15.057 1.475 -4.933) 15.912 7.004 ( -0.407 9.442 -4.429) 10.437 7.218 ( -1.027 3.781 4.160) 5.714 7.287 ( -1.373 -3.004 5.223) 6.180 7.422 ( 2.524 -2.408 2.788) 4.466 8.074 ( -8.290 3.871 4.765) 10.316 8.211 ( -2.079 11.632 -3.650) 12.367 8.715 ( -0.721 -8.926 0.379) 8.963 8.892 ( 17.740 -20.871 17.207) 32.348 9.147 ( -1.354 6.528 2.656) 7.177 9.439 ( 7.092 -4.309 -3.853) 9.149 9.544 ( 6.439 1.737 -10.096) 12.100 9.858 ( 2.467 -9.747 -11.011) 14.911 10.648 ( 1.505 2.185 0.661) 2.734 10.712 ( 3.140 -1.734 3.265) 4.851 11.150 ( 3.971 6.765 8.152) 11.313 11.316 ( -2.463 5.396 -2.893) 6.599 11.898 ( 2.097 -7.806 9.694) 12.622 11.956 ( 3.516 -6.237 -1.314) 7.279 12.290 ( -2.396 -3.797 -4.943) 6.678 12.368 ( -3.767 -4.508 -6.615) 8.848 13.301 ( -0.128 15.060 4.989) 15.865 13.608 ( -6.392 -2.505 -0.048) 6.865 13.967 ( -8.186 0.220 -12.992) 15.357 14.056 ( -3.600 -5.460 -3.454) 7.397 14.685 ( -2.224 1.611 -1.745) 3.253 14.811 ( -0.547 -2.896 -10.074) 10.496 15.355 ( -2.004 5.613 -11.548) 12.995 15.661 ( 0.879 -6.710 -3.172) 7.474 16.676 ( 12.046 21.236 -2.126) 24.507 17.269 ( 0.565 -9.238 5.123) 10.579 18.275 ( 6.430 3.553 9.290) 11.844 18.413 ( 6.783 -2.892 11.371) 13.552 24.784 ( 0.482 1.835 -3.152) 3.679 24.912 ( 1.249 -3.714 -0.338) 3.933 26.818 ( -2.203 1.547 -0.361) 2.716 26.933 ( -2.584 -3.833 1.908) 5.001 28.375 ( -4.220 3.385 -5.308) 7.579 28.418 ( 0.063 3.852 -1.955) 4.321 28.516 ( -4.341 5.271 1.451) 6.981 28.720 ( -1.263 -3.226 -3.577) 4.979 28.874 ( -2.796 3.496 -4.060) 6.043 28.979 ( -1.037 -1.872 -0.611) 2.225 29.836 ( 2.775 0.634 -0.445) 2.881 29.879 ( 1.164 -1.701 1.733) 2.693 30.630 ( 8.008 15.167 2.357) 17.312 31.455 ( 0.406 -22.963 12.298) 26.052 ======================= Grid point 108 (56/156) ======================= q-point: (-0.18 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -15.003 27.542 -3.313) 31.538 1.896 ( -14.110 18.720 5.004) 23.970 2.766 ( -3.478 -21.285 -0.200) 21.568 3.034 ( 14.454 -29.366 -5.728) 33.228 3.401 ( -18.646 26.885 7.104) 33.480 3.642 ( -6.042 16.664 5.655) 18.606 4.217 ( -11.612 3.637 -4.831) 13.092 4.467 ( 1.319 -1.311 1.866) 2.634 4.912 ( -2.356 3.673 -1.619) 4.654 5.024 ( 0.138 0.392 4.269) 4.289 5.199 ( -1.359 -5.190 -3.856) 6.607 5.339 ( 2.688 -6.192 -4.221) 7.961 5.542 ( -3.036 -1.652 5.488) 6.486 5.755 ( -4.570 -7.397 4.147) 9.634 5.838 ( 2.530 -1.333 1.123) 3.073 5.939 ( -0.220 -2.364 0.809) 2.508 6.290 ( 8.752 4.973 -4.079) 10.861 6.368 ( 0.773 5.251 3.977) 6.632 6.608 ( 7.228 1.422 2.214) 7.692 6.816 ( 8.738 -3.655 -1.948) 9.670 6.979 ( 2.107 11.868 -5.332) 13.180 7.200 ( -1.753 -0.740 0.689) 2.024 7.274 ( -4.833 -3.202 7.189) 9.235 7.438 ( 0.824 -6.140 -7.191) 9.492 7.973 ( -3.962 13.540 -1.028) 14.145 8.201 ( 1.425 10.600 2.795) 11.054 8.695 ( -3.188 -7.944 5.350) 10.095 8.922 ( -14.762 -11.658 1.508) 18.871 9.379 ( 1.871 5.312 -7.175) 9.121 9.483 ( 23.028 -6.380 5.673) 24.560 9.755 ( 9.051 -6.624 -1.071) 11.267 9.925 ( 13.667 -9.975 -8.970) 19.151 10.701 ( 5.224 3.930 -1.776) 6.774 10.787 ( 4.547 -0.947 -1.519) 4.887 11.261 ( 2.722 6.870 5.629) 9.289 11.295 ( 2.879 7.832 0.201) 8.347 11.913 ( -4.785 -4.871 2.017) 7.120 12.041 ( 3.981 -7.102 1.515) 8.281 12.203 ( -2.764 -5.624 -9.446) 11.336 12.291 ( -2.302 -5.488 4.898) 7.708 13.289 ( -1.034 12.637 -5.892) 13.981 13.496 ( -7.019 -0.021 7.475) 10.254 13.809 ( -2.788 3.713 -1.986) 5.050 14.009 ( -1.346 -5.307 1.699) 5.733 14.631 ( -2.045 1.529 -1.973) 3.227 14.736 ( -2.011 -2.215 -6.413) 7.077 15.294 ( 2.143 6.531 -8.623) 11.027 15.634 ( -2.269 -6.754 -1.542) 7.289 16.915 ( 15.953 15.154 -3.094) 22.220 17.287 ( -1.463 -6.369 4.093) 7.711 18.423 ( 4.852 4.244 4.026) 7.600 18.560 ( 3.217 -2.042 4.939) 6.238 24.783 ( 1.017 2.768 -1.009) 3.117 24.934 ( 0.863 -3.887 1.387) 4.216 26.763 ( -3.431 1.665 -0.323) 3.828 26.882 ( -4.170 -3.789 1.110) 5.743 28.266 ( -3.941 2.818 -4.756) 6.789 28.374 ( -4.010 -0.740 -2.215) 4.640 28.465 ( -0.705 7.496 0.052) 7.529 28.699 ( -0.603 -3.057 -0.171) 3.120 28.840 ( 2.179 5.719 -2.369) 6.562 28.975 ( 0.267 -1.329 1.479) 2.006 29.871 ( 1.849 1.694 -1.095) 2.736 29.932 ( 3.364 -0.998 2.207) 4.145 30.769 ( 6.254 11.005 -0.652) 12.675 31.467 ( -6.832 -23.459 6.939) 25.400 ======================= Grid point 109 (57/156) ======================= q-point: (-0.09 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -3.193 30.988 12.757) 33.663 1.788 ( -1.648 34.106 6.241) 34.711 2.740 ( -1.736 -22.238 6.462) 23.222 3.049 ( -21.708 39.653 13.470) 47.171 3.282 ( 13.476 -28.891 -3.602) 32.082 3.619 ( -1.839 6.778 -0.757) 7.064 4.000 ( -8.299 6.945 -2.119) 11.027 4.449 ( -2.084 -5.182 -4.077) 6.915 4.877 ( -1.081 1.156 -0.848) 1.795 5.046 ( 0.963 -3.129 2.082) 3.880 5.203 ( 0.718 -2.806 0.788) 3.002 5.303 ( -0.886 -6.305 -5.350) 8.316 5.542 ( -1.397 -4.209 5.363) 6.959 5.677 ( -4.260 -6.948 3.612) 8.914 5.916 ( 4.462 0.140 2.843) 5.293 5.964 ( 0.820 -1.415 1.992) 2.578 6.344 ( 2.470 8.510 -1.969) 9.077 6.410 ( -1.153 6.922 -2.425) 7.425 6.751 ( 5.839 -0.956 4.671) 7.538 6.835 ( -2.504 -4.414 -1.453) 5.279 7.039 ( 7.007 4.812 -6.486) 10.692 7.159 ( -9.599 -5.197 0.876) 10.951 7.197 ( -0.839 -4.957 2.101) 5.449 7.422 ( 3.778 -7.563 -7.307) 11.174 7.924 ( 1.487 14.846 -6.258) 16.179 8.280 ( 2.358 6.280 6.999) 9.695 8.582 ( -17.353 -2.639 -5.466) 18.384 8.680 ( -4.504 -5.483 6.871) 9.877 9.370 ( 4.124 7.028 -9.524) 12.534 9.758 ( 3.147 -8.318 1.758) 9.065 9.893 ( 6.795 -2.687 -5.943) 9.418 10.128 ( 9.160 -10.856 -1.056) 14.243 10.811 ( 7.704 3.562 -4.289) 9.510 10.856 ( 6.828 2.353 -9.537) 11.963 11.339 ( 2.178 7.208 -1.863) 7.757 11.422 ( 11.115 7.304 0.287) 13.304 11.780 ( -9.871 -3.701 3.678) 11.165 11.993 ( -3.635 -9.837 -13.463) 17.066 12.184 ( 2.654 1.647 10.939) 11.376 12.379 ( 3.375 -8.536 15.110) 17.680 13.226 ( -0.177 11.160 -8.556) 14.063 13.419 ( -6.186 0.894 2.199) 6.625 13.881 ( 3.919 2.127 18.363) 18.896 14.029 ( 1.465 -4.064 6.047) 7.432 14.602 ( 0.175 0.991 -0.821) 1.299 14.672 ( -1.363 -1.705 -0.875) 2.351 15.321 ( 5.702 4.246 -5.741) 9.138 15.568 ( -3.819 -5.314 -0.651) 6.576 17.157 ( 8.566 5.498 -2.234) 10.421 17.312 ( 4.877 -3.107 3.478) 6.748 18.487 ( 1.462 4.433 -2.896) 5.494 18.576 ( -2.332 0.158 -2.735) 3.598 24.823 ( 2.873 2.178 4.443) 5.721 24.961 ( 0.397 -3.687 3.692) 5.233 26.703 ( -2.450 1.088 -0.477) 2.723 26.799 ( -5.136 -3.238 0.148) 6.074 28.189 ( -1.304 1.653 -3.613) 4.182 28.286 ( -3.147 -2.039 -2.299) 4.398 28.471 ( 0.528 7.471 0.641) 7.517 28.690 ( 0.007 -2.029 0.155) 2.035 28.915 ( 5.529 5.116 0.991) 7.598 29.006 ( 1.415 -0.180 3.597) 3.870 29.894 ( 1.531 2.614 -0.761) 3.124 30.027 ( 5.263 -2.864 1.877) 6.279 30.831 ( 2.294 6.539 -5.455) 8.819 31.258 ( -17.885 -16.604 -3.312) 24.628 ======================= Grid point 110 (58/156) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 5.607 -24.633 14.132) 28.947 2.260 ( 5.607 24.633 14.132) 28.947 2.718 ( 3.388 -36.941 3.784) 37.289 2.718 ( 3.388 36.941 3.784) 37.289 3.476 ( -6.175 -13.435 0.792) 14.808 3.476 ( -6.175 13.435 0.792) 14.808 4.138 ( -1.067 -14.543 -1.301) 14.640 4.138 ( -1.067 14.543 -1.301) 14.640 4.933 ( 0.945 -7.617 -1.673) 7.856 4.933 ( 0.945 7.617 -1.673) 7.856 5.235 ( 1.945 -7.005 -0.943) 7.331 5.235 ( 1.945 7.005 -0.943) 7.331 5.529 ( -2.229 -5.445 5.254) 7.888 5.529 ( -2.229 5.445 5.254) 7.888 6.001 ( 0.485 -0.826 5.426) 5.510 6.001 ( 0.485 0.826 5.426) 5.510 6.501 ( 3.710 -1.422 -2.085) 4.487 6.501 ( 3.710 1.422 -2.085) 4.487 6.638 ( -7.480 -4.193 -4.595) 9.729 6.638 ( -7.480 4.193 -4.595) 9.729 7.034 ( -1.817 -4.255 -1.292) 4.804 7.034 ( -1.817 4.255 -1.292) 4.804 7.317 ( 5.612 -7.462 -1.457) 9.450 7.317 ( 5.612 7.462 -1.457) 9.450 8.080 ( -6.039 -4.986 -9.869) 12.599 8.080 ( -6.039 4.986 -9.869) 12.599 8.584 ( 0.141 -3.775 3.368) 5.061 8.584 ( 0.141 3.775 3.368) 5.061 9.560 ( 0.977 -8.071 -7.697) 11.195 9.560 ( 0.977 8.071 -7.697) 11.195 10.023 ( -0.286 -8.656 2.999) 9.165 10.023 ( -0.286 8.656 2.999) 9.165 10.912 ( 2.059 -0.531 -7.575) 7.868 10.912 ( 2.059 0.531 -7.575) 7.868 11.381 ( -9.425 -8.793 -11.294) 17.138 11.381 ( -9.425 8.793 -11.294) 17.138 11.819 ( 7.251 -4.096 4.399) 9.419 11.819 ( 7.251 4.096 4.399) 9.419 12.449 ( 6.424 -3.267 16.163) 17.697 12.449 ( 6.424 3.267 16.163) 17.697 13.328 ( -2.685 -4.961 -3.689) 6.740 13.328 ( -2.685 4.961 -3.689) 6.740 14.008 ( -0.901 -3.210 10.402) 10.923 14.008 ( -0.901 3.210 10.402) 10.923 14.678 ( 4.665 -2.276 4.100) 6.615 14.678 ( 4.665 2.276 4.100) 6.615 15.456 ( 2.762 -2.371 -0.145) 3.643 15.456 ( 2.762 2.371 -0.145) 3.643 17.311 ( 1.604 -6.521 3.179) 7.430 17.311 ( 1.604 6.521 3.179) 7.430 18.476 ( -5.046 -1.503 -8.920) 10.358 18.476 ( -5.046 1.503 -8.920) 10.358 24.937 ( 1.271 -1.637 5.844) 6.200 24.937 ( 1.271 1.637 5.844) 6.200 26.690 ( -0.918 -1.163 -1.135) 1.866 26.690 ( -0.918 1.163 -1.135) 1.866 28.212 ( 1.946 -1.918 -2.451) 3.671 28.212 ( 1.946 1.918 -2.451) 3.671 28.616 ( -0.119 -5.589 2.188) 6.003 28.616 ( -0.119 5.589 2.188) 6.003 29.058 ( 1.519 -1.709 5.825) 6.258 29.058 ( 1.519 1.709 5.825) 6.258 29.996 ( 0.854 -4.258 0.135) 4.345 29.996 ( 0.854 4.258 0.135) 4.345 30.842 ( -5.588 -2.447 -11.286) 12.829 30.842 ( -5.588 2.447 -11.286) 12.829 ======================= Grid point 112 (59/156) ======================= q-point: ( 0.09 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 9.901 -17.437 17.501) 26.615 2.510 ( 9.901 17.437 17.501) 26.615 2.720 ( -5.797 -32.455 7.472) 33.805 2.720 ( -5.797 32.455 7.472) 33.805 3.453 ( 4.813 -6.959 -2.391) 8.793 3.453 ( 4.813 6.959 -2.391) 8.793 4.183 ( 5.984 -12.186 -0.006) 13.576 4.183 ( 5.984 12.186 -0.006) 13.576 4.966 ( 4.537 -7.694 -5.362) 10.418 4.966 ( 4.537 7.694 -5.362) 10.418 5.233 ( -3.226 -8.914 2.995) 9.942 5.233 ( -3.226 8.914 2.995) 9.942 5.517 ( -1.615 -7.820 1.957) 8.221 5.517 ( -1.615 7.820 1.957) 8.221 6.004 ( -2.739 -0.985 3.683) 4.694 6.004 ( -2.739 0.985 3.683) 4.694 6.449 ( -8.508 -5.857 -3.914) 11.046 6.449 ( -8.508 5.857 -3.914) 11.046 6.621 ( 8.322 -5.074 -0.724) 9.774 6.621 ( 8.322 5.074 -0.724) 9.774 7.008 ( -0.572 -5.394 0.002) 5.425 7.008 ( -0.572 5.394 0.002) 5.425 7.372 ( 0.422 -6.302 -2.006) 6.627 7.372 ( 0.422 6.302 -2.006) 6.627 7.924 ( -2.216 -6.491 -13.728) 15.346 7.924 ( -2.216 6.491 -13.728) 15.346 8.613 ( 0.541 -2.108 3.573) 4.184 8.613 ( 0.541 2.108 3.573) 4.184 9.489 ( -3.243 -4.858 -8.232) 10.094 9.489 ( -3.243 4.858 -8.232) 10.094 10.013 ( -2.623 -9.169 4.857) 10.702 10.013 ( -2.623 9.169 4.857) 10.702 10.842 ( -4.693 -1.447 -6.442) 8.100 10.842 ( -4.693 1.447 -6.442) 8.100 11.149 ( -6.881 -10.033 -9.296) 15.311 11.149 ( -6.881 10.033 -9.296) 15.311 12.000 ( 6.914 -0.360 9.432) 11.701 12.000 ( 6.914 0.360 9.432) 11.701 12.598 ( -1.270 -3.243 11.241) 11.769 12.598 ( -1.270 3.243 11.241) 11.769 13.247 ( -1.986 -10.934 -5.252) 12.291 13.247 ( -1.986 10.934 -5.252) 12.291 14.073 ( 2.031 -0.781 9.284) 9.535 14.073 ( 2.031 0.781 9.284) 9.535 14.814 ( 5.493 -6.871 5.453) 10.350 14.814 ( 5.493 6.871 5.453) 10.350 15.537 ( 5.371 -1.185 2.415) 6.007 15.537 ( 5.371 1.185 2.415) 6.007 17.324 ( -3.271 -5.189 4.779) 7.776 17.324 ( -3.271 5.189 4.779) 7.776 18.280 ( -8.568 -3.359 -12.600) 15.603 18.280 ( -8.568 3.359 -12.600) 15.603 24.989 ( -0.348 -1.686 6.605) 6.826 24.989 ( -0.348 1.686 6.605) 6.826 26.697 ( 2.651 -1.248 -1.917) 3.502 26.697 ( 2.651 1.248 -1.917) 3.502 28.270 ( 5.690 -1.389 -2.162) 6.243 28.270 ( 5.690 1.389 -2.162) 6.243 28.631 ( 0.345 -6.117 1.965) 6.434 28.631 ( 0.345 6.117 1.965) 6.434 29.112 ( -0.755 -3.227 9.584) 10.140 29.112 ( -0.755 3.227 9.584) 10.140 29.969 ( -3.520 -2.680 -1.769) 4.764 29.969 ( -3.520 2.680 -1.769) 4.764 30.697 ( -0.978 -2.407 -13.952) 14.192 30.697 ( -0.978 2.407 -13.952) 14.192 ======================= Grid point 114 (60/156) ======================= q-point: ( 0.18 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -6.044 -28.436 8.317) 30.238 2.599 ( -6.044 28.436 8.317) 30.238 2.877 ( 12.805 -16.243 17.240) 26.926 2.877 ( 12.805 16.243 17.240) 26.926 3.602 ( 12.549 -2.661 -2.592) 13.087 3.602 ( 12.549 2.661 -2.592) 13.087 4.318 ( 6.593 -10.577 3.525) 12.952 4.318 ( 6.593 10.577 3.525) 12.952 4.964 ( 0.137 -5.637 -15.219) 16.230 4.964 ( 0.137 5.637 -15.219) 16.230 5.185 ( -4.995 -4.025 8.713) 10.819 5.185 ( -4.995 4.025 8.713) 10.819 5.514 ( 1.355 -10.183 0.150) 10.273 5.514 ( 1.355 10.183 0.150) 10.273 5.970 ( -3.411 -3.642 4.345) 6.617 5.970 ( -3.411 3.642 4.345) 6.617 6.299 ( -5.419 -10.080 -2.504) 11.715 6.299 ( -5.419 10.080 -2.504) 11.715 6.730 ( 2.411 -4.929 -1.303) 5.640 6.730 ( 2.411 4.929 -1.303) 5.640 7.015 ( 1.598 -2.837 -0.907) 3.380 7.015 ( 1.598 2.837 -0.907) 3.380 7.300 ( -4.924 -6.169 -5.182) 9.442 7.300 ( -4.924 6.169 -5.182) 9.442 7.852 ( 2.446 -10.097 -9.404) 14.013 7.852 ( 2.446 10.097 -9.404) 14.013 8.644 ( 0.440 -6.688 3.593) 7.605 8.644 ( 0.440 6.688 3.593) 7.605 9.352 ( -6.271 -9.563 -6.869) 13.340 9.352 ( -6.271 9.563 -6.869) 13.340 10.008 ( -1.277 -8.514 5.783) 10.371 10.008 ( -1.277 8.514 5.783) 10.371 10.701 ( -5.828 -2.886 -4.564) 7.945 10.701 ( -5.828 2.886 -4.564) 7.945 11.028 ( -1.599 -8.789 -6.876) 11.274 11.028 ( -1.599 8.789 -6.876) 11.274 12.151 ( 0.486 -1.744 12.042) 12.178 12.151 ( 0.486 1.744 12.042) 12.178 12.557 ( -6.197 -4.399 6.391) 9.930 12.557 ( -6.197 4.399 6.391) 9.930 13.216 ( 2.327 -12.864 -7.098) 14.875 13.216 ( 2.327 12.864 -7.098) 14.875 14.199 ( 5.359 -4.070 8.156) 10.574 14.199 ( 5.359 4.070 8.156) 10.574 14.908 ( 2.253 -8.964 1.349) 9.341 14.908 ( 2.253 8.964 1.349) 9.341 15.677 ( 6.991 -2.406 5.845) 9.425 15.677 ( 6.991 2.406 5.845) 9.425 17.239 ( -9.384 -3.386 3.408) 10.543 17.239 ( -9.384 3.386 3.408) 10.543 18.043 ( -8.310 -3.677 -11.344) 14.535 18.043 ( -8.310 3.677 -11.344) 14.535 25.000 ( -2.538 -2.783 5.403) 6.587 25.000 ( -2.538 2.783 5.403) 6.587 26.750 ( 4.101 -0.941 -2.098) 4.702 26.750 ( 4.101 0.941 -2.098) 4.702 28.373 ( 6.694 -0.711 -2.116) 7.056 28.373 ( 6.694 0.711 -2.116) 7.056 28.655 ( 1.176 -6.638 1.190) 6.845 28.655 ( 1.176 6.638 1.190) 6.845 29.155 ( -1.663 -5.779 11.309) 12.808 29.155 ( -1.663 5.779 11.309) 12.808 29.866 ( -4.598 -3.635 -4.837) 7.599 29.866 ( -4.598 3.635 -4.837) 7.599 30.631 ( 1.628 -6.792 -10.935) 12.975 30.631 ( 1.628 6.792 -10.935) 12.975 ======================= Grid point 116 (61/156) ======================= q-point: ( 0.27 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 1.602 -23.913 8.852) 25.549 2.604 ( 1.602 23.913 8.852) 25.549 3.207 ( 12.827 -12.721 11.126) 21.216 3.207 ( 12.827 12.721 11.126) 21.216 3.838 ( 13.639 -8.257 -1.653) 16.029 3.838 ( 13.639 8.257 -1.653) 16.029 4.424 ( 0.354 -9.784 6.669) 11.845 4.424 ( 0.354 9.784 6.669) 11.845 4.815 ( -4.585 -6.972 -11.424) 14.147 4.815 ( -4.585 6.972 -11.424) 14.147 5.133 ( -4.721 -4.991 2.550) 7.328 5.133 ( -4.721 4.991 2.550) 7.328 5.558 ( 1.978 -8.565 -0.784) 8.826 5.558 ( 1.978 8.565 -0.784) 8.826 5.948 ( -2.527 -5.282 5.866) 8.288 5.948 ( -2.527 5.282 5.866) 8.288 6.233 ( -0.419 -6.918 -0.683) 6.965 6.233 ( -0.419 6.918 -0.683) 6.965 6.652 ( -7.604 -4.943 -7.821) 11.976 6.652 ( -7.604 4.943 -7.821) 11.976 7.022 ( -0.954 -2.300 -2.343) 3.419 7.022 ( -0.954 2.300 -2.343) 3.419 7.204 ( -0.827 -4.579 -2.964) 5.517 7.204 ( -0.827 4.579 -2.964) 5.517 7.895 ( 6.209 -5.672 -1.944) 8.631 7.895 ( 6.209 5.672 -1.944) 8.631 8.674 ( 0.237 -7.574 3.701) 8.433 8.674 ( 0.237 7.574 3.701) 8.433 9.189 ( -7.256 -8.801 -5.409) 12.623 9.189 ( -7.256 8.801 -5.409) 12.623 10.044 ( 1.590 -9.092 4.312) 10.188 10.044 ( 1.590 9.092 4.312) 10.188 10.592 ( -3.631 -2.544 -3.302) 5.528 10.592 ( -3.631 2.544 -3.302) 5.528 10.986 ( 0.433 -6.040 -3.737) 7.116 10.986 ( 0.433 6.040 -3.737) 7.116 12.107 ( -10.909 -2.250 7.874) 13.640 12.107 ( -10.909 2.250 7.874) 13.640 12.569 ( 2.529 -5.327 6.669) 8.902 12.569 ( 2.529 5.327 6.669) 8.902 13.222 ( 3.151 -13.541 -7.035) 15.582 13.222 ( 3.151 13.541 -7.035) 15.582 14.344 ( 5.181 -4.810 5.820) 9.157 14.344 ( 5.181 4.810 5.820) 9.157 14.918 ( 0.304 -7.991 -4.398) 9.126 14.918 ( 0.304 7.991 -4.398) 9.126 15.847 ( 6.611 -4.611 7.337) 10.900 15.847 ( 6.611 4.611 7.337) 10.900 17.030 ( -13.671 -8.094 -1.070) 15.924 17.030 ( -13.671 8.094 -1.070) 15.924 17.870 ( -4.989 -2.728 -4.399) 7.188 17.870 ( -4.989 2.728 -4.399) 7.188 24.971 ( -3.402 -2.469 3.300) 5.345 24.971 ( -3.402 2.469 3.300) 5.345 26.807 ( 3.296 -0.157 -1.571) 3.655 26.807 ( 3.296 0.157 -1.571) 3.655 28.470 ( 5.140 -1.414 -1.962) 5.681 28.470 ( 5.140 1.414 -1.962) 5.681 28.686 ( 1.553 -7.323 0.509) 7.503 28.686 ( 1.553 7.323 0.509) 7.503 29.188 ( -1.361 -7.586 7.313) 10.625 29.188 ( -1.361 7.586 7.313) 10.625 29.777 ( -1.949 -2.681 -3.280) 4.663 29.777 ( -1.949 2.681 -3.280) 4.663 30.601 ( 0.922 -10.187 -6.366) 12.048 30.601 ( 0.922 10.187 -6.366) 12.048 ======================= Grid point 118 (62/156) ======================= q-point: ( 0.36 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 9.108 -17.773 8.489) 21.701 2.764 ( 9.108 17.773 8.489) 21.701 3.439 ( 6.826 -7.751 2.252) 10.571 3.439 ( 6.826 7.751 2.252) 10.571 4.007 ( 3.142 -16.282 1.739) 16.673 4.007 ( 3.142 16.282 1.739) 16.673 4.375 ( -5.015 -6.930 -6.955) 11.026 4.375 ( -5.015 6.930 -6.955) 11.026 4.745 ( 0.551 -7.838 4.128) 8.876 4.745 ( 0.551 7.838 4.128) 8.876 5.107 ( 1.319 -5.009 3.542) 6.275 5.107 ( 1.319 5.009 3.542) 6.275 5.531 ( -3.283 -3.873 -3.422) 6.123 5.531 ( -3.283 3.873 -3.422) 6.123 5.943 ( -0.608 -4.753 1.987) 5.188 5.943 ( -0.608 4.753 1.987) 5.188 6.247 ( -2.685 -5.023 2.495) 6.218 6.247 ( -2.685 5.023 2.495) 6.218 6.426 ( -6.449 -2.912 -10.869) 12.969 6.426 ( -6.449 2.912 -10.869) 12.969 6.975 ( -2.359 -2.373 0.539) 3.389 6.975 ( -2.359 2.373 0.539) 3.389 7.216 ( 2.473 -3.040 -1.747) 4.291 7.216 ( 2.473 3.040 -1.747) 4.291 8.043 ( 8.928 -1.469 3.561) 9.724 8.043 ( 8.928 1.469 3.561) 9.724 8.682 ( -2.017 -4.842 1.611) 5.487 8.682 ( -2.017 4.842 1.611) 5.487 9.042 ( -5.168 -3.753 -2.935) 7.029 9.042 ( -5.168 3.753 -2.935) 7.029 10.103 ( 2.635 -8.483 -0.264) 8.887 10.103 ( 2.635 8.483 -0.264) 8.887 10.521 ( -2.633 -2.046 -1.167) 3.533 10.521 ( -2.633 2.046 -1.167) 3.533 10.994 ( 1.644 -3.848 0.215) 4.190 10.994 ( 1.644 3.848 0.215) 4.190 11.943 ( -9.654 -1.876 3.407) 10.408 11.943 ( -9.654 1.876 3.407) 10.408 12.651 ( 1.238 -3.937 4.147) 5.851 12.651 ( 1.238 3.937 4.147) 5.851 13.251 ( 4.037 -13.956 -3.418) 14.925 13.251 ( 4.037 13.956 -3.418) 14.925 14.441 ( 2.222 -4.975 2.918) 6.181 14.441 ( 2.222 4.975 2.918) 6.181 14.883 ( 0.867 -5.563 -8.839) 10.479 14.883 ( 0.867 5.563 -8.839) 10.479 15.966 ( 1.940 -7.266 1.418) 7.653 15.966 ( 1.940 7.266 1.418) 7.653 16.790 ( -10.299 -12.539 -0.038) 16.227 16.790 ( -10.299 12.539 -0.038) 16.227 17.806 ( -1.759 -1.893 3.031) 3.983 17.806 ( -1.759 1.893 3.031) 3.983 24.926 ( -2.971 -1.769 1.152) 3.645 24.926 ( -2.971 1.769 1.152) 3.645 26.846 ( 1.954 -1.198 -0.783) 2.422 26.846 ( 1.954 1.198 -0.783) 2.422 28.529 ( 2.785 -2.512 -2.261) 4.379 28.529 ( 2.785 2.512 -2.261) 4.379 28.712 ( 0.930 -7.780 0.656) 7.862 28.712 ( 0.930 7.780 0.656) 7.862 29.192 ( -0.612 -5.900 -0.299) 5.939 29.192 ( -0.612 5.900 -0.299) 5.939 29.755 ( -0.106 -7.192 1.023) 7.266 29.755 ( -0.106 7.192 1.023) 7.266 30.590 ( 0.859 -13.433 -1.249) 13.519 30.590 ( 0.859 13.433 -1.249) 13.519 ======================= Grid point 120 (63/156) ======================= q-point: ( 0.45 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 3.963 -12.134 4.071) 13.398 2.959 ( 3.963 12.134 4.071) 13.398 3.474 ( -0.638 -6.811 0.400) 6.853 3.474 ( -0.638 6.811 0.400) 6.853 3.906 ( -14.927 -9.549 -2.204) 17.857 3.906 ( -14.927 9.549 -2.204) 17.857 4.290 ( 6.000 -8.887 -13.345) 17.119 4.290 ( 6.000 8.887 -13.345) 17.119 4.869 ( 5.920 -10.971 11.745) 17.127 4.869 ( 5.920 10.971 11.745) 17.127 5.196 ( 1.433 -5.507 7.484) 9.402 5.196 ( 1.433 5.507 7.484) 9.402 5.453 ( 0.142 -4.092 -3.038) 5.099 5.453 ( 0.142 4.092 -3.038) 5.099 5.944 ( -0.949 -5.362 -6.486) 8.469 5.944 ( -0.949 5.362 -6.486) 8.469 6.093 ( -6.205 -7.759 -0.174) 9.936 6.093 ( -6.205 7.759 -0.174) 9.936 6.388 ( 1.807 -4.087 -2.806) 5.276 6.388 ( 1.807 4.087 -2.806) 5.276 6.965 ( 0.179 -3.017 3.139) 4.358 6.965 ( 0.179 3.017 3.139) 4.358 7.252 ( 1.936 -3.258 -0.074) 3.790 7.252 ( 1.936 3.258 -0.074) 3.790 8.220 ( 5.449 -1.755 6.824) 8.907 8.220 ( 5.449 1.755 6.824) 8.907 8.615 ( -3.848 -1.311 -2.765) 4.916 8.615 ( -3.848 1.311 -2.765) 4.916 8.990 ( -0.087 -2.805 1.076) 3.005 8.990 ( -0.087 2.805 1.076) 3.005 10.093 ( -1.831 -5.943 -7.320) 9.605 10.093 ( -1.831 5.943 -7.320) 9.605 10.503 ( 0.542 -3.251 2.661) 4.236 10.503 ( 0.542 3.251 2.661) 4.236 11.046 ( 2.498 -7.620 3.891) 8.913 11.046 ( 2.498 7.620 3.891) 8.913 11.824 ( -4.880 -1.891 1.082) 5.344 11.824 ( -4.880 1.891 1.082) 5.344 12.642 ( -2.940 -1.964 -1.830) 3.980 12.642 ( -2.940 1.964 -1.830) 3.980 13.327 ( 4.523 -12.613 2.360) 13.605 13.327 ( 4.523 12.613 2.360) 13.605 14.454 ( -1.485 -5.708 -0.940) 5.972 14.454 ( -1.485 5.708 -0.940) 5.973 14.847 ( 1.924 -3.052 -10.675) 11.268 14.847 ( 1.924 3.052 -10.675) 11.268 15.899 ( -5.561 -7.234 -9.867) 13.439 15.899 ( -5.561 7.234 -9.867) 13.439 16.716 ( -0.650 -15.989 6.927) 17.437 16.716 ( -0.650 15.989 6.927) 17.437 17.840 ( 1.396 -1.359 8.567) 8.786 17.840 ( 1.396 1.359 8.567) 8.786 24.883 ( -1.921 -1.322 -0.581) 2.403 24.883 ( -1.921 1.322 -0.581) 2.403 26.870 ( 0.996 -1.982 -0.123) 2.222 26.870 ( 0.996 1.982 -0.123) 2.222 28.542 ( 0.635 -3.423 -3.091) 4.655 28.542 ( 0.635 3.423 -3.091) 4.655 28.730 ( 0.466 -7.111 0.988) 7.194 28.730 ( 0.466 7.111 0.988) 7.194 29.160 ( -1.240 -3.189 -4.992) 6.052 29.160 ( -1.240 3.189 -4.992) 6.052 29.767 ( -0.109 -7.679 2.542) 8.090 29.767 ( -0.109 7.679 2.542) 8.090 30.629 ( 2.778 -17.297 3.874) 17.942 30.629 ( 2.778 17.297 3.874) 17.942 ======================= Grid point 122 (64/156) ======================= q-point: (-0.45 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -14.216 -9.463 -1.424) 17.137 2.849 ( -14.216 9.463 -1.424) 17.137 3.403 ( -17.451 -6.095 -6.807) 19.698 3.403 ( -17.451 6.095 -6.807) 19.698 3.699 ( 7.554 -7.930 -4.267) 11.754 3.699 ( 7.554 7.930 -4.267) 11.754 4.352 ( 4.026 -8.496 -3.201) 9.932 4.352 ( 4.026 8.496 -3.201) 9.932 5.004 ( -1.127 -9.737 7.923) 12.603 5.004 ( -1.127 9.737 7.923) 12.603 5.230 ( 2.672 -4.432 7.632) 9.221 5.230 ( 2.672 4.432 7.632) 9.221 5.570 ( 9.107 -3.135 4.794) 10.758 5.570 ( 9.107 3.135 4.794) 10.758 5.764 ( -7.659 -7.512 -13.015) 16.867 5.764 ( -7.659 7.512 -13.015) 16.867 6.159 ( 7.077 -8.055 3.895) 11.408 6.159 ( 7.077 8.055 3.895) 11.408 6.387 ( 1.427 -5.814 -5.941) 8.434 6.387 ( 1.427 5.814 -5.941) 8.434 7.022 ( 3.483 -4.273 4.054) 6.843 7.022 ( 3.483 4.273 4.054) 6.843 7.281 ( 0.269 -2.680 3.159) 4.151 7.281 ( 0.269 2.680 3.159) 4.151 8.277 ( -3.727 -4.007 8.169) 9.833 8.277 ( -3.727 4.007 8.169) 9.833 8.559 ( 0.271 -5.573 -4.853) 7.395 8.559 ( 0.271 5.573 -4.853) 7.395 9.042 ( 4.154 -2.102 3.369) 5.747 9.042 ( 4.154 2.102 3.369) 5.747 9.958 ( -5.727 -4.958 -11.111) 13.447 9.958 ( -5.727 4.958 -11.111) 13.447 10.558 ( 2.670 -2.255 3.340) 4.834 10.558 ( 2.670 2.255 3.340) 4.834 11.128 ( 2.852 -11.245 6.447) 13.273 11.128 ( 2.852 11.245 6.447) 13.273 11.781 ( -0.434 -3.075 -0.105) 3.108 11.781 ( -0.434 3.075 -0.105) 3.108 12.539 ( -5.342 -3.492 -5.426) 8.376 12.539 ( -5.342 3.492 -5.426) 8.376 13.428 ( 3.289 -11.336 6.096) 13.285 13.428 ( 3.289 11.336 6.096) 13.285 14.368 ( -5.447 -5.174 -7.051) 10.303 14.368 ( -5.447 5.174 -7.051) 10.303 14.819 ( 1.846 -3.131 -9.277) 9.963 14.819 ( 1.846 3.131 -9.277) 9.963 15.713 ( -5.565 -3.289 -12.808) 14.346 15.713 ( -5.565 3.289 -12.808) 14.346 16.801 ( 3.928 -17.057 7.057) 18.873 16.801 ( 3.928 17.057 7.057) 18.873 17.960 ( 4.593 -1.602 12.088) 13.030 17.960 ( 4.593 1.602 12.088) 13.030 24.851 ( -0.728 -1.556 -1.654) 2.385 24.851 ( -0.728 1.556 -1.654) 2.385 26.882 ( 0.333 -2.472 0.298) 2.512 26.882 ( 0.333 2.472 0.298) 2.512 28.522 ( -0.322 -2.859 -3.328) 4.399 28.522 ( -0.322 2.859 -3.328) 4.399 28.733 ( -0.817 -6.457 -0.112) 6.509 28.733 ( -0.817 6.457 -0.112) 6.509 29.087 ( -2.946 -2.367 -5.530) 6.698 29.087 ( -2.946 2.367 -5.530) 6.698 29.781 ( 0.190 -5.351 2.151) 5.770 29.781 ( 0.190 5.351 2.151) 5.770 30.735 ( 4.800 -20.309 7.175) 22.067 30.735 ( 4.800 20.309 7.175) 22.067 ======================= Grid point 124 (65/156) ======================= q-point: (-0.36 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -13.894 -6.898 -0.420) 15.518 2.567 ( -13.894 6.898 -0.420) 15.518 2.947 ( -20.884 -10.808 -15.303) 28.056 2.947 ( -20.884 10.808 -15.303) 28.056 3.875 ( 8.033 -14.454 -1.411) 16.596 3.875 ( 8.033 14.454 -1.411) 16.596 4.370 ( -1.210 -9.260 3.202) 9.873 4.370 ( -1.210 9.260 3.202) 9.873 4.989 ( -2.101 -4.185 5.261) 7.043 4.989 ( -2.101 4.185 5.261) 7.043 5.387 ( 5.015 -4.951 7.283) 10.134 5.387 ( 5.015 4.951 7.283) 10.134 5.536 ( -6.048 -9.857 -9.159) 14.752 5.536 ( -6.048 9.857 -9.159) 14.752 5.773 ( 6.686 -4.309 4.763) 9.271 5.773 ( 6.686 4.309 4.763) 9.271 6.254 ( -0.890 -7.157 1.691) 7.408 6.254 ( -0.890 7.157 1.691) 7.408 6.439 ( 10.894 -4.210 -7.416) 13.835 6.439 ( 10.894 4.210 -7.416) 13.835 7.119 ( 4.582 -4.746 0.886) 6.657 7.119 ( 4.582 4.746 0.886) 6.657 7.309 ( -0.651 -3.146 7.272) 7.950 7.309 ( -0.651 3.146 7.272) 7.950 8.266 ( -1.672 -8.944 9.482) 13.141 8.266 ( -1.672 8.944 9.482) 13.141 8.531 ( -0.325 -9.749 -4.498) 10.742 8.531 ( -0.325 9.749 -4.498) 10.742 9.165 ( 6.579 -1.986 2.976) 7.489 9.165 ( 6.579 1.986 2.976) 7.489 9.782 ( -4.893 -6.157 -12.046) 14.386 9.782 ( -4.893 6.157 -12.046) 14.386 10.623 ( 2.586 -0.445 2.156) 3.396 10.623 ( 2.586 0.445 2.156) 3.396 11.222 ( 2.525 -10.746 7.602) 13.403 11.222 ( 2.525 10.746 7.602) 13.403 11.797 ( 2.285 -4.335 -0.848) 4.973 11.797 ( 2.285 4.335 -0.848) 4.973 12.404 ( -5.144 -3.353 -5.959) 8.556 12.404 ( -5.144 3.353 -5.959) 8.556 13.510 ( 0.802 -9.920 7.398) 12.401 13.510 ( 0.802 9.920 7.398) 12.401 14.179 ( -8.182 -2.463 -11.905) 14.654 14.179 ( -8.182 2.463 -11.905) 14.654 14.791 ( 0.521 -3.904 -7.197) 8.204 14.791 ( 0.521 3.904 -7.197) 8.204 15.570 ( -2.066 -3.681 -10.465) 11.284 15.570 ( -2.066 3.681 -10.465) 11.284 16.921 ( 5.212 -16.593 4.110) 17.871 16.921 ( 5.212 16.593 4.110) 17.871 18.145 ( 6.874 -2.521 12.745) 14.698 18.145 ( 6.874 2.521 12.745) 14.698 24.836 ( 0.295 -2.359 -1.933) 3.064 24.836 ( 0.295 2.359 -1.933) 3.064 26.883 ( -0.579 -2.698 0.479) 2.801 26.883 ( -0.579 2.698 0.479) 2.801 28.492 ( -0.963 -1.078 -3.041) 3.367 28.492 ( -0.963 1.078 -3.041) 3.367 28.692 ( -2.707 -5.637 -2.324) 6.671 28.692 ( -2.707 5.637 -2.324) 6.671 28.998 ( -3.372 -1.504 -3.312) 4.960 28.998 ( -3.372 1.504 -3.312) 4.960 29.807 ( 1.486 -2.573 1.542) 3.347 29.807 ( 1.486 2.573 1.542) 3.347 30.876 ( 5.032 -21.339 7.966) 23.327 30.876 ( 5.032 21.339 7.966) 23.327 ======================= Grid point 126 (66/156) ======================= q-point: (-0.27 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -4.749 -11.055 0.957) 12.070 2.394 ( -4.749 11.055 0.957) 12.070 2.518 ( -16.017 -16.376 -12.431) 26.062 2.518 ( -16.017 16.376 -12.431) 26.062 3.901 ( -3.870 -12.443 -0.526) 13.042 3.901 ( -3.870 12.443 -0.526) 13.042 4.381 ( -1.144 -5.938 5.834) 8.403 4.381 ( -1.144 5.938 5.834) 8.403 5.008 ( 0.602 -1.419 2.334) 2.797 5.008 ( 0.602 1.419 2.334) 2.797 5.291 ( -7.085 -6.266 -6.783) 11.639 5.291 ( -7.085 6.266 -6.783) 11.639 5.581 ( 2.868 -5.241 5.954) 8.434 5.581 ( 2.868 5.241 5.954) 8.434 5.857 ( 0.812 -5.804 1.590) 6.073 5.857 ( 0.812 5.804 1.590) 6.073 6.254 ( 3.094 -5.461 0.264) 6.283 6.254 ( 3.094 5.461 0.264) 6.283 6.600 ( 8.720 -3.712 -2.953) 9.926 6.600 ( 8.720 3.712 -2.953) 9.926 7.171 ( 0.938 -5.759 -0.749) 5.882 7.171 ( 0.938 5.759 -0.749) 5.882 7.333 ( -1.838 -4.934 5.074) 7.313 7.333 ( -1.838 4.934 5.074) 7.313 8.336 ( 0.361 -16.737 9.456) 19.227 8.336 ( 0.361 16.737 9.456) 19.227 8.520 ( 2.581 -8.332 -2.063) 8.964 8.520 ( 2.581 8.332 -2.063) 8.964 9.305 ( 8.082 -7.446 0.392) 10.996 9.305 ( 8.082 7.446 0.392) 10.996 9.670 ( 1.349 -8.333 -10.155) 13.205 9.670 ( 1.349 8.333 -10.155) 13.205 10.683 ( 3.392 -1.312 0.400) 3.659 10.683 ( 3.392 1.312 0.400) 3.659 11.306 ( 1.494 -6.296 7.144) 9.639 11.306 ( 1.494 6.296 7.144) 9.639 11.844 ( 3.250 -3.233 -0.829) 4.658 11.844 ( 3.250 3.233 -0.829) 4.658 12.288 ( -3.967 -2.646 -5.085) 6.971 12.288 ( -3.967 2.646 -5.085) 6.971 13.532 ( -3.039 -6.608 4.481) 8.542 13.532 ( -3.039 6.608 4.481) 8.542 13.973 ( -5.848 -1.751 -8.511) 10.474 13.973 ( -5.848 1.751 -8.511) 10.474 14.744 ( -1.139 -3.437 -5.976) 6.987 14.744 ( -1.139 3.437 -5.976) 6.987 15.498 ( -0.161 -7.989 -7.206) 10.760 15.498 ( -0.161 7.989 -7.206) 10.760 17.036 ( 5.564 -13.749 1.712) 14.931 17.036 ( 5.564 13.749 1.712) 14.931 18.348 ( 7.100 -3.391 10.060) 12.771 18.348 ( 7.100 3.391 10.060) 12.771 24.837 ( 0.901 -3.241 -1.292) 3.604 24.837 ( 0.901 3.241 -1.292) 3.604 26.863 ( -2.131 -2.815 0.392) 3.553 26.863 ( -2.131 2.815 0.392) 3.553 28.435 ( -3.463 -1.750 -3.487) 5.216 28.435 ( -3.463 1.750 -3.487) 5.216 28.629 ( -1.936 -5.318 -2.023) 6.010 28.629 ( -1.936 5.318 -2.023) 6.010 28.937 ( -1.641 -2.432 -1.148) 3.150 28.937 ( -1.641 2.432 -1.148) 3.150 29.852 ( 2.598 -0.969 0.793) 2.884 29.852 ( 2.598 0.969 0.793) 2.884 30.999 ( 3.123 -20.259 6.499) 21.504 30.999 ( 3.123 20.259 6.499) 21.504 ======================= Grid point 128 (67/156) ======================= q-point: (-0.18 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -8.900 -23.780 -3.877) 25.685 2.237 ( -8.900 23.780 -3.877) 25.685 2.414 ( 5.528 -24.755 1.501) 25.409 2.414 ( 5.528 24.755 1.501) 25.409 3.780 ( -9.273 -6.324 2.661) 11.535 3.780 ( -9.273 6.324 2.661) 11.535 4.354 ( -5.708 -8.744 2.950) 10.851 4.354 ( -5.708 8.744 2.950) 10.851 4.997 ( -2.001 -4.931 -1.944) 5.665 4.997 ( -2.001 4.931 -1.944) 5.665 5.190 ( -0.926 -6.198 -1.634) 6.476 5.190 ( -0.926 6.198 -1.634) 6.476 5.589 ( -4.210 -6.424 4.179) 8.744 5.589 ( -4.210 6.424 4.179) 8.744 5.878 ( 1.872 -3.286 0.022) 3.782 5.878 ( 1.872 3.286 0.022) 3.782 6.381 ( 8.389 -3.508 1.143) 9.164 6.381 ( 8.389 3.508 1.143) 9.164 6.699 ( 3.436 -7.233 0.181) 8.010 6.699 ( 3.436 7.233 0.181) 8.010 7.147 ( -2.664 -4.249 -1.113) 5.137 7.147 ( -2.664 4.249 -1.113) 5.137 7.299 ( -2.965 -5.914 -0.690) 6.651 7.299 ( -2.965 5.914 -0.690) 6.651 8.337 ( -4.557 -9.509 4.723) 11.554 8.337 ( -4.557 9.509 4.723) 11.554 8.566 ( 1.397 -5.808 -0.723) 6.017 8.566 ( 1.397 5.808 -0.723) 6.017 9.467 ( 8.487 -1.580 -1.282) 8.728 9.467 ( 8.487 1.580 -1.282) 8.728 9.737 ( 11.607 -6.058 -4.659) 13.897 9.737 ( 11.607 6.058 -4.659) 13.897 10.761 ( 6.315 -1.906 -2.942) 7.223 10.761 ( 6.315 1.906 -2.942) 7.223 11.374 ( 2.163 -1.817 5.970) 6.605 11.374 ( 2.163 1.817 5.970) 6.605 11.883 ( 1.321 -3.969 -3.938) 5.745 11.883 ( 1.321 3.969 -3.938) 5.745 12.203 ( -2.916 -3.042 0.716) 4.274 12.203 ( -2.916 3.042 0.716) 4.274 13.460 ( -4.458 -4.391 -2.201) 6.634 13.460 ( -4.458 4.391 -2.201) 6.634 13.899 ( -0.817 -5.051 3.130) 5.999 13.899 ( -0.817 5.051 3.130) 5.999 14.681 ( -2.049 -2.866 -4.164) 5.454 14.681 ( -2.049 2.866 -4.164) 5.454 15.460 ( -0.183 -8.992 -4.593) 10.098 15.460 ( -0.183 8.992 -4.593) 10.098 17.143 ( 5.423 -8.015 0.743) 9.706 17.143 ( 5.423 8.015 0.743) 9.706 18.505 ( 4.699 -3.407 4.515) 7.353 18.505 ( 4.699 3.407 4.515) 7.353 24.852 ( 1.073 -3.809 0.452) 3.982 24.852 ( 1.073 3.809 0.452) 3.982 26.810 ( -3.721 -2.930 0.077) 4.736 26.810 ( -3.721 2.930 0.077) 4.736 28.330 ( -4.926 -3.020 -3.893) 6.968 28.330 ( -4.926 3.020 -3.893) 6.968 28.606 ( -0.400 -5.821 0.383) 5.848 28.606 ( -0.400 5.821 0.383) 5.848 28.932 ( 1.469 -3.055 0.342) 3.407 28.932 ( 1.469 3.055 0.342) 3.407 29.906 ( 2.963 -1.525 0.083) 3.334 29.906 ( 2.963 1.525 0.083) 3.334 31.053 ( -0.701 -16.572 2.487) 16.772 31.053 ( -0.701 16.572 2.487) 16.772 ======================= Grid point 130 (68/156) ======================= q-point: (-0.09 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -1.290 -26.605 6.264) 27.362 2.153 ( -1.290 26.605 6.264) 27.362 2.573 ( 9.328 -33.677 1.926) 34.998 2.573 ( 9.328 33.677 1.926) 34.998 3.620 ( -10.172 -11.878 3.399) 16.004 3.620 ( -10.172 11.878 3.399) 16.004 4.230 ( -7.413 -14.493 -0.485) 16.286 4.230 ( -7.413 14.493 -0.485) 16.286 4.950 ( -1.521 -5.586 -1.342) 5.942 4.950 ( -1.521 5.586 -1.342) 5.942 5.199 ( 2.178 -2.316 -1.248) 3.415 5.199 ( 2.178 2.316 -1.248) 3.415 5.543 ( -3.145 -4.580 4.533) 7.170 5.543 ( -3.145 4.580 4.533) 7.170 5.933 ( 2.978 -1.357 3.329) 4.668 5.933 ( 2.978 1.357 3.329) 4.668 6.481 ( 2.012 -2.161 -1.353) 3.248 6.481 ( 2.012 2.161 -1.353) 3.248 6.734 ( -0.785 -2.227 0.434) 2.400 6.734 ( -0.785 2.227 0.434) 2.400 7.085 ( -2.055 -3.258 -3.429) 5.157 7.085 ( -2.055 3.258 -3.429) 5.157 7.255 ( 0.846 -8.150 -2.273) 8.504 7.255 ( 0.846 8.150 -2.273) 8.504 8.240 ( -6.916 -12.074 -2.125) 14.076 8.240 ( -6.916 12.074 -2.125) 14.076 8.569 ( -0.150 -4.131 1.066) 4.269 8.569 ( -0.150 4.131 1.066) 4.269 9.554 ( 4.050 -10.085 -5.286) 12.085 9.554 ( 4.050 10.085 -5.286) 12.085 9.943 ( 8.629 -6.356 1.138) 10.778 9.943 ( 8.629 6.356 1.138) 10.778 10.865 ( 7.650 -1.422 -6.907) 10.404 10.865 ( 7.650 1.422 -6.907) 10.404 11.469 ( 4.048 -3.826 1.928) 5.894 11.469 ( 4.048 3.826 1.928) 5.894 11.799 ( -3.644 -6.805 -10.087) 12.702 11.799 ( -3.644 6.805 -10.087) 12.702 12.250 ( 3.001 -4.491 14.634) 15.599 12.250 ( 3.001 4.491 14.634) 15.599 13.384 ( -1.793 -4.440 -3.671) 6.034 13.384 ( -1.793 4.440 -3.671) 6.034 13.947 ( 0.519 -3.759 9.923) 10.624 13.947 ( 0.519 3.759 9.923) 10.624 14.634 ( -0.679 -1.891 -0.846) 2.180 14.634 ( -0.679 1.891 -0.846) 2.180 15.438 ( 0.401 -6.566 -2.365) 6.990 15.438 ( 0.401 6.566 -2.365) 6.990 17.240 ( 4.411 -3.556 1.348) 5.824 17.240 ( 4.411 3.556 1.348) 5.824 18.558 ( 0.127 -2.139 -2.523) 3.310 18.558 ( 0.127 2.139 -2.523) 3.310 24.884 ( 1.268 -3.531 3.225) 4.947 24.884 ( 1.268 3.531 3.225) 4.947 26.739 ( -3.638 -2.372 -0.396) 4.361 26.739 ( -3.638 2.372 -0.396) 4.361 28.236 ( -2.498 -2.563 -3.193) 4.797 28.236 ( -2.498 2.563 -3.193) 4.797 28.608 ( -0.269 -5.505 1.731) 5.777 28.608 ( -0.269 5.505 1.731) 5.777 28.987 ( 3.103 -1.953 2.581) 4.484 28.987 ( 3.103 1.953 2.581) 4.484 29.958 ( 2.764 -3.449 -0.043) 4.420 29.958 ( 2.764 3.449 -0.043) 4.420 30.996 ( -4.970 -9.680 -4.168) 11.652 30.996 ( -4.970 9.680 -4.168) 11.652 ======================= Grid point 154 (69/156) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -11.594 0.000 30.806) 32.915 1.603 ( -11.139 0.000 34.550) 36.301 2.508 ( -1.325 0.000 41.410) 41.432 3.007 ( 7.309 0.000 -7.557) 10.513 3.441 ( 1.626 0.000 8.473) 8.627 3.618 ( 8.484 0.000 4.259) 9.493 4.246 ( 4.497 0.000 -4.170) 6.133 4.430 ( -2.593 0.000 -3.416) 4.289 4.973 ( 3.010 0.000 4.872) 5.727 5.183 ( -12.278 0.000 -0.003) 12.278 5.269 ( -4.874 0.000 -22.494) 23.016 5.411 ( -2.869 0.000 -6.122) 6.761 5.519 ( 3.810 0.000 3.325) 5.057 5.736 ( -2.470 0.000 0.660) 2.556 5.817 ( 0.390 0.000 -6.727) 6.738 5.916 ( -3.802 0.000 1.913) 4.257 6.010 ( 0.418 0.000 4.999) 5.017 6.574 ( 21.522 0.000 -12.840) 25.061 6.698 ( -1.312 0.000 -4.626) 4.809 6.727 ( -8.608 0.000 -2.422) 8.942 7.130 ( -3.446 0.000 -2.836) 4.463 7.133 ( 12.193 0.000 1.555) 12.291 7.361 ( -1.400 0.000 -4.028) 4.264 7.633 ( 3.461 0.000 -1.417) 3.740 7.956 ( -11.361 0.000 -5.636) 12.682 8.064 ( -9.452 0.000 -5.709) 11.043 8.257 ( 10.380 0.000 -0.101) 10.380 8.455 ( -2.191 0.000 -0.316) 2.213 9.025 ( -12.322 0.000 18.758) 22.443 9.425 ( -3.067 0.000 -3.401) 4.580 9.993 ( -3.657 0.000 5.504) 6.609 10.282 ( 9.774 0.000 -20.046) 22.302 10.580 ( -1.669 0.000 1.109) 2.004 10.872 ( 2.346 0.000 -4.261) 4.864 11.205 ( 1.743 0.000 5.728) 5.988 11.429 ( 9.562 0.000 0.458) 9.573 11.948 ( -12.130 0.000 -2.405) 12.366 12.062 ( -0.638 0.000 11.781) 11.798 12.678 ( 10.742 0.000 4.960) 11.832 12.796 ( 6.572 0.000 0.924) 6.636 12.932 ( 0.841 0.000 -0.849) 1.195 12.944 ( -21.597 0.000 7.522) 22.870 14.438 ( -0.919 0.000 1.934) 2.141 14.582 ( -1.167 0.000 -3.510) 3.699 14.912 ( 11.740 0.000 23.190) 25.992 15.137 ( 8.107 0.000 -0.256) 8.111 15.367 ( -1.680 0.000 -6.516) 6.729 16.241 ( 17.715 0.000 -5.802) 18.641 16.471 ( 6.873 0.000 -5.303) 8.681 17.386 ( -7.287 0.000 6.612) 9.840 18.135 ( -2.848 0.000 -9.140) 9.573 18.299 ( -0.294 0.000 -7.181) 7.187 25.129 ( -0.111 0.000 4.685) 4.687 25.907 ( 31.952 0.000 -4.529) 32.271 26.706 ( 4.953 0.000 0.525) 4.981 26.763 ( -6.801 0.000 -0.860) 6.855 28.093 ( -1.703 0.000 0.246) 1.721 28.208 ( 0.467 0.000 -1.812) 1.871 28.272 ( 1.179 0.000 -1.023) 1.561 28.289 ( 0.770 0.000 0.529) 0.934 29.115 ( -1.374 0.000 4.724) 4.920 29.148 ( 2.019 0.000 15.621) 15.751 29.785 ( -8.328 0.000 -2.824) 8.794 30.191 ( -15.011 0.000 1.753) 15.113 30.385 ( -0.558 0.000 -17.997) 18.005 30.628 ( -16.325 0.000 -0.490) 16.332 ======================= Grid point 155 (70/156) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 13.473 0.000 28.681) 31.688 1.778 ( 7.903 0.000 27.502) 28.615 2.781 ( 10.982 0.000 19.690) 22.546 3.051 ( 1.331 0.000 -5.569) 5.726 3.557 ( 4.208 0.000 11.013) 11.789 3.925 ( 15.965 0.000 13.639) 20.998 4.217 ( -4.032 0.000 -2.693) 4.848 4.309 ( -7.973 0.000 -4.541) 9.175 4.943 ( -8.202 0.000 -22.341) 23.799 5.045 ( -1.986 0.000 1.099) 2.270 5.066 ( 0.319 0.000 1.766) 1.795 5.382 ( 0.417 0.000 -3.043) 3.071 5.544 ( -5.429 0.000 5.783) 7.932 5.641 ( -4.874 0.000 -0.111) 4.875 5.892 ( -0.535 0.000 2.537) 2.593 5.906 ( 12.991 0.000 -11.480) 17.336 6.063 ( 3.234 0.000 2.572) 4.132 6.436 ( -15.500 0.000 -4.185) 16.055 6.717 ( 3.159 0.000 2.497) 4.026 6.849 ( 10.658 0.000 -11.225) 15.479 7.048 ( -2.747 0.000 -4.187) 5.008 7.181 ( -10.331 0.000 -0.557) 10.346 7.282 ( 0.305 0.000 -2.369) 2.389 7.561 ( -8.408 0.000 -4.772) 9.668 7.692 ( -0.349 0.000 0.788) 0.862 8.214 ( 10.219 0.000 -4.540) 11.182 8.276 ( -3.132 0.000 -5.013) 5.911 8.580 ( 12.378 0.000 0.235) 12.380 8.888 ( -14.827 0.000 17.605) 23.017 9.437 ( 6.558 0.000 -1.409) 6.708 9.960 ( -4.590 0.000 6.471) 7.934 10.213 ( -4.214 0.000 -16.525) 17.054 10.562 ( -1.205 0.000 1.584) 1.991 10.801 ( -4.036 0.000 -5.852) 7.108 11.340 ( 5.436 0.000 9.544) 10.984 11.513 ( 1.802 0.000 -2.374) 2.980 11.710 ( -11.716 0.000 -2.430) 11.965 12.239 ( 8.811 0.000 8.550) 12.278 12.638 ( -16.764 0.000 11.165) 20.141 12.884 ( 7.773 0.000 0.793) 7.813 12.913 ( -0.684 0.000 -0.962) 1.180 12.948 ( 9.851 0.000 0.147) 9.852 14.426 ( -0.848 0.000 1.531) 1.750 14.549 ( -0.067 0.000 -3.688) 3.689 15.213 ( -1.511 0.000 -0.076) 1.513 15.222 ( 4.916 0.000 23.558) 24.065 15.339 ( 5.299 0.000 -6.752) 8.583 16.195 ( -8.534 0.000 -15.799) 17.957 16.505 ( 1.175 0.000 -7.384) 7.477 17.337 ( -3.296 0.000 8.729) 9.330 17.990 ( -6.700 0.000 -5.407) 8.609 18.224 ( -5.296 0.000 -6.913) 8.709 25.113 ( -3.647 0.000 2.610) 4.484 26.037 ( -9.902 0.000 -8.968) 13.360 26.708 ( 1.295 0.000 -2.334) 2.669 26.881 ( 8.550 0.000 2.456) 8.896 28.077 ( -0.281 0.000 0.299) 0.411 28.223 ( 2.246 0.000 -1.181) 2.537 28.226 ( 4.067 0.000 -3.969) 5.683 28.477 ( 13.899 0.000 -5.870) 15.087 29.012 ( -9.968 0.000 5.497) 11.383 29.269 ( 0.173 0.000 16.501) 16.502 29.632 ( -1.593 0.000 7.631) 7.795 30.097 ( -0.236 0.000 7.136) 7.140 30.205 ( -6.290 0.000 -19.081) 20.091 30.655 ( 8.053 0.000 0.611) 8.077 ======================= Grid point 156 (71/156) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 22.487 0.000 21.225) 30.922 2.166 ( 17.425 0.000 16.988) 24.336 2.966 ( -8.738 0.000 -0.759) 8.771 3.172 ( 22.119 0.000 8.885) 23.837 3.687 ( 4.025 0.000 2.396) 4.684 4.056 ( -12.337 0.000 -6.866) 14.119 4.171 ( -3.303 0.000 3.291) 4.662 4.237 ( 10.743 0.000 2.033) 10.934 4.664 ( -6.917 0.000 -13.888) 15.515 5.092 ( 0.147 0.000 1.621) 1.628 5.147 ( 9.674 0.000 7.238) 12.082 5.363 ( -0.801 0.000 -2.593) 2.714 5.408 ( -8.860 0.000 -0.718) 8.889 5.628 ( 1.561 0.000 1.519) 2.178 5.921 ( 1.480 0.000 3.485) 3.786 5.964 ( -7.042 0.000 1.718) 7.249 6.161 ( 5.627 0.000 2.043) 5.986 6.204 ( -3.551 0.000 -11.469) 12.006 6.722 ( -15.805 0.000 -2.256) 15.965 6.788 ( 2.631 0.000 -1.516) 3.036 7.012 ( 0.437 0.000 3.207) 3.236 7.112 ( 0.130 0.000 -11.264) 11.265 7.201 ( -0.277 0.000 1.354) 1.382 7.325 ( -11.503 0.000 -5.193) 12.621 7.887 ( 14.009 0.000 5.344) 14.994 8.187 ( -2.058 0.000 -6.044) 6.385 8.303 ( 3.855 0.000 -5.289) 6.545 8.719 ( -10.323 0.000 10.887) 15.003 8.811 ( 8.955 0.000 1.346) 9.055 9.610 ( 10.525 0.000 2.403) 10.796 9.900 ( -5.676 0.000 4.378) 7.169 9.953 ( -14.072 0.000 -11.634) 18.258 10.546 ( -0.920 0.000 -1.993) 2.195 10.713 ( -2.695 0.000 -0.339) 2.716 11.407 ( -2.641 0.000 -11.119) 11.429 11.495 ( -0.673 0.000 -6.001) 6.039 11.588 ( -1.602 0.000 16.965) 17.041 12.267 ( -9.338 0.000 5.316) 10.745 12.607 ( 0.563 0.000 17.335) 17.345 12.826 ( -4.841 0.000 -2.051) 5.257 13.030 ( 5.723 0.000 -1.108) 5.829 13.161 ( 15.189 0.000 -3.892) 15.679 14.423 ( -1.420 0.000 1.890) 2.364 14.542 ( 1.960 0.000 -2.716) 3.349 15.153 ( -1.786 0.000 -3.766) 4.168 15.339 ( -5.342 0.000 12.960) 14.018 15.421 ( 6.103 0.000 -3.373) 6.973 15.878 ( -12.724 0.000 -19.886) 23.609 16.429 ( -3.815 0.000 -8.372) 9.200 17.364 ( -0.783 0.000 9.997) 10.028 17.861 ( -5.429 0.000 0.583) 5.460 18.065 ( -7.648 0.000 0.158) 7.650 25.042 ( -4.567 0.000 -0.684) 4.618 25.702 ( -19.283 0.000 -1.972) 19.384 26.740 ( 3.553 0.000 -2.986) 4.641 26.976 ( 0.457 0.000 6.782) 6.798 28.086 ( 1.067 0.000 0.300) 1.108 28.274 ( 3.809 0.000 -0.430) 3.833 28.333 ( 9.254 0.000 -5.994) 11.026 28.641 ( 8.764 0.000 -10.679) 13.815 28.970 ( 2.479 0.000 1.539) 2.918 29.358 ( -1.510 0.000 15.736) 15.809 29.738 ( 5.829 0.000 5.689) 8.145 29.935 ( -10.158 0.000 -18.199) 20.842 30.134 ( -1.407 0.000 4.980) 5.175 30.859 ( 12.338 0.000 5.945) 13.695 ======================= Grid point 157 (72/156) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -4.418 0.000 7.899) 9.051 2.613 ( 21.163 0.000 11.951) 24.304 2.817 ( 1.670 0.000 1.753) 2.422 3.642 ( 23.218 0.000 4.793) 23.708 3.709 ( -0.878 0.000 -8.712) 8.756 3.797 ( -5.773 0.000 -10.964) 12.391 4.101 ( -8.633 0.000 0.067) 8.633 4.327 ( 4.836 0.000 -15.300) 16.046 4.636 ( 4.896 0.000 14.280) 15.096 5.087 ( -0.376 0.000 -2.591) 2.618 5.233 ( -8.718 0.000 4.681) 9.895 5.320 ( -2.508 0.000 -1.136) 2.754 5.395 ( 8.677 0.000 -2.773) 9.109 5.696 ( 1.042 0.000 8.612) 8.674 5.817 ( -7.216 0.000 5.074) 8.822 5.968 ( -13.628 0.000 -10.554) 17.237 5.976 ( 1.701 0.000 3.541) 3.928 6.269 ( 4.535 0.000 1.118) 4.671 6.451 ( -11.270 0.000 -3.694) 11.859 6.794 ( 2.017 0.000 -4.968) 5.362 6.995 ( -7.250 0.000 -1.445) 7.392 7.100 ( 2.874 0.000 10.781) 11.158 7.152 ( -2.707 0.000 -4.608) 5.344 7.292 ( 7.970 0.000 -4.866) 9.338 8.145 ( 2.275 0.000 -6.634) 7.013 8.171 ( 11.179 0.000 9.650) 14.768 8.324 ( 1.285 0.000 0.545) 1.396 8.603 ( -7.827 0.000 8.011) 11.200 8.966 ( 6.773 0.000 -1.272) 6.891 9.589 ( -18.812 0.000 -7.084) 20.101 9.787 ( 3.205 0.000 6.882) 7.591 9.837 ( 0.934 0.000 -3.637) 3.756 10.504 ( -1.232 0.000 -3.837) 4.029 10.705 ( 0.159 0.000 3.520) 3.524 11.224 ( -6.943 0.000 -12.320) 14.141 11.429 ( -0.933 0.000 -8.533) 8.584 11.743 ( 4.224 0.000 17.166) 17.678 12.127 ( -9.036 0.000 4.883) 10.271 12.687 ( -4.530 0.000 17.652) 18.224 12.724 ( -4.416 0.000 -2.321) 4.989 13.084 ( 1.633 0.000 -2.616) 3.084 13.429 ( 16.953 0.000 -6.266) 18.074 14.383 ( -3.320 0.000 -0.661) 3.385 14.582 ( 2.724 0.000 -0.286) 2.739 15.131 ( 2.606 0.000 -4.649) 5.330 15.207 ( -11.173 0.000 -2.396) 11.427 15.507 ( -12.794 0.000 -24.166) 27.344 15.512 ( 5.784 0.000 -1.860) 6.076 16.272 ( -7.279 0.000 -9.433) 11.915 17.416 ( -0.869 0.000 10.678) 10.714 17.813 ( -2.221 0.000 6.927) 7.274 18.004 ( -2.544 0.000 10.324) 10.632 24.952 ( -3.811 0.000 -3.232) 4.997 25.380 ( -15.156 0.000 -0.108) 15.156 26.791 ( 3.773 0.000 -2.227) 4.382 27.021 ( -0.029 0.000 7.104) 7.104 28.117 ( 2.065 0.000 0.229) 2.078 28.351 ( 4.571 0.000 0.325) 4.583 28.450 ( 6.624 0.000 -3.777) 7.625 28.696 ( 4.986 0.000 -8.098) 9.510 29.037 ( 4.308 0.000 -4.152) 5.983 29.413 ( -2.140 0.000 11.877) 12.069 29.632 ( -11.416 0.000 -14.074) 18.122 29.863 ( 5.361 0.000 -0.094) 5.362 30.101 ( -3.505 0.000 0.350) 3.522 31.158 ( 12.822 0.000 14.582) 19.418 ======================= Grid point 158 (73/156) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -20.846 0.000 -1.223) 20.882 2.966 ( 12.658 0.000 -2.271) 12.860 3.010 ( 9.757 0.000 -0.234) 9.760 3.553 ( -6.319 0.000 -5.452) 8.346 3.750 ( 2.236 0.000 -12.920) 13.112 3.927 ( -6.821 0.000 0.582) 6.845 4.002 ( 12.271 0.000 5.364) 13.392 4.243 ( 1.095 0.000 -27.280) 27.302 4.902 ( 7.146 0.000 19.529) 20.795 5.060 ( 0.958 0.000 -0.345) 1.018 5.142 ( -5.464 0.000 7.550) 9.319 5.275 ( -1.536 0.000 0.972) 1.818 5.354 ( -10.577 0.000 1.190) 10.644 5.566 ( -4.960 0.000 -8.968) 10.248 5.833 ( 7.436 0.000 1.099) 7.516 5.957 ( 4.490 0.000 6.682) 8.050 6.007 ( -0.260 0.000 0.833) 0.872 6.217 ( -12.508 0.000 -3.575) 13.009 6.327 ( 1.969 0.000 -0.910) 2.169 6.812 ( -10.652 0.000 -5.392) 11.938 6.840 ( 4.123 0.000 2.589) 4.868 7.163 ( 3.467 0.000 0.266) 3.478 7.213 ( 1.845 0.000 10.637) 10.795 7.381 ( 3.804 0.000 -1.185) 3.984 8.193 ( 7.705 0.000 -7.299) 10.613 8.317 ( 0.097 0.000 6.978) 6.979 8.475 ( 10.374 0.000 14.092) 17.499 8.530 ( -4.676 0.000 2.259) 5.193 9.011 ( -2.529 0.000 -1.001) 2.720 9.239 ( -13.486 0.000 -3.050) 13.827 9.797 ( 2.125 0.000 -5.009) 5.441 9.898 ( 2.106 0.000 -1.283) 2.466 10.471 ( -0.608 0.000 0.143) 0.624 10.737 ( 0.159 0.000 4.054) 4.057 11.037 ( -5.691 0.000 -8.505) 10.233 11.379 ( 1.491 0.000 -7.814) 7.955 11.929 ( 5.050 0.000 14.317) 15.181 11.990 ( -8.704 0.000 1.869) 8.902 12.646 ( -2.664 0.000 -2.344) 3.549 12.686 ( -6.591 0.000 16.330) 17.610 13.062 ( -1.608 0.000 -4.096) 4.400 13.662 ( 12.864 0.000 -6.598) 14.457 14.298 ( -4.393 0.000 -4.228) 6.097 14.589 ( -2.800 0.000 -3.063) 4.150 14.978 ( -8.551 0.000 -7.673) 11.489 15.149 ( -7.672 0.000 -26.301) 27.397 15.198 ( 7.847 0.000 -4.165) 8.884 15.598 ( 4.096 0.000 -0.605) 4.140 16.053 ( -9.836 0.000 -10.486) 14.377 17.463 ( -1.189 0.000 10.589) 10.656 17.863 ( 0.787 0.000 12.152) 12.177 18.080 ( 1.189 0.000 15.622) 15.667 24.872 ( -2.287 0.000 -4.319) 4.887 25.154 ( -9.912 0.000 -0.470) 9.924 26.843 ( 2.962 0.000 -1.019) 3.132 27.065 ( 0.285 0.000 6.028) 6.034 28.160 ( 2.572 0.000 0.059) 2.572 28.433 ( 3.633 0.000 1.158) 3.814 28.512 ( 2.087 0.000 -2.093) 2.956 28.736 ( 5.133 0.000 -7.823) 9.356 29.062 ( 1.759 0.000 -4.706) 5.024 29.305 ( -9.840 0.000 -13.025) 16.324 29.499 ( -1.038 0.000 10.901) 10.951 29.908 ( -0.087 0.000 -1.983) 1.985 30.044 ( -0.653 0.000 -3.707) 3.764 31.477 ( 10.640 0.000 18.369) 21.228 ======================= Grid point 159 (74/156) ======================= q-point: (-0.55 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -0.460 0.000 -10.097) 10.108 2.959 ( -6.869 0.000 -20.760) 21.867 3.067 ( -3.271 0.000 1.060) 3.438 3.426 ( -5.651 0.000 -3.508) 6.651 3.638 ( -5.710 0.000 -6.040) 8.312 3.944 ( 6.102 0.000 -0.851) 6.161 4.061 ( -2.291 0.000 -12.095) 12.310 4.223 ( 11.434 0.000 -4.041) 12.127 4.911 ( -3.656 0.000 -5.187) 6.346 5.088 ( -6.461 0.000 11.026) 12.780 5.206 ( 3.072 0.000 2.851) 4.191 5.251 ( 0.698 0.000 -0.432) 0.821 5.378 ( 8.678 0.000 21.640) 23.316 5.521 ( 0.912 0.000 -6.927) 6.987 5.953 ( -6.245 0.000 -2.069) 6.579 5.975 ( -2.267 0.000 -2.665) 3.499 6.011 ( 2.574 0.000 -2.831) 3.826 6.030 ( 1.702 0.000 3.263) 3.680 6.337 ( 0.138 0.000 -1.657) 1.663 6.555 ( -12.974 0.000 -5.608) 14.134 6.959 ( 3.672 0.000 10.766) 11.375 7.201 ( 0.937 0.000 -3.051) 3.192 7.302 ( 1.629 0.000 8.694) 8.845 7.448 ( 1.861 0.000 6.513) 6.774 8.304 ( 6.048 0.000 -8.512) 10.442 8.358 ( -0.934 0.000 9.798) 9.843 8.415 ( -5.379 0.000 -4.363) 6.926 8.797 ( 13.865 0.000 17.847) 22.600 8.903 ( -3.149 0.000 0.188) 3.154 9.107 ( -4.181 0.000 0.513) 4.213 9.809 ( 5.004 0.000 -12.876) 13.814 9.854 ( -4.985 0.000 -5.601) 7.498 10.499 ( 2.201 0.000 4.154) 4.701 10.752 ( -1.301 0.000 5.525) 5.676 10.944 ( -0.822 0.000 -1.826) 2.002 11.371 ( 0.631 0.000 -5.042) 5.082 11.855 ( -4.853 0.000 -1.353) 5.038 12.092 ( 3.888 0.000 11.544) 12.181 12.591 ( -1.621 0.000 -4.033) 4.347 12.673 ( -5.246 0.000 14.705) 15.612 12.982 ( -3.808 0.000 -4.866) 6.179 13.809 ( 8.154 0.000 -6.446) 10.394 14.162 ( -6.336 0.000 -10.199) 12.007 14.419 ( -8.656 0.000 -9.106) 12.564 14.849 ( -0.870 0.000 -13.073) 13.102 14.945 ( -1.124 0.000 -11.774) 11.827 15.350 ( 10.936 0.000 -2.982) 11.335 15.612 ( -4.004 0.000 -1.983) 4.468 15.817 ( -7.322 0.000 -8.624) 11.313 17.511 ( -0.327 0.000 9.512) 9.518 17.976 ( 2.412 0.000 13.290) 13.507 18.222 ( 3.219 0.000 16.352) 16.666 24.815 ( -1.343 0.000 -4.116) 4.329 25.013 ( -5.137 0.000 -1.016) 5.236 26.879 ( 1.197 0.000 -0.073) 1.200 27.105 ( 0.363 0.000 4.829) 4.843 28.206 ( 2.483 0.000 -0.230) 2.493 28.485 ( 0.811 0.000 2.171) 2.317 28.497 ( -2.221 0.000 -2.009) 2.994 28.777 ( 4.598 0.000 -8.171) 9.375 29.052 ( 0.194 0.000 -3.363) 3.369 29.057 ( -8.771 0.000 -10.242) 13.484 29.592 ( 4.612 0.000 7.710) 8.984 29.859 ( -2.739 0.000 -1.963) 3.370 30.027 ( 0.845 0.000 -4.594) 4.671 31.761 ( 8.287 0.000 17.396) 19.269 ======================= Grid point 160 (75/156) ======================= q-point: (-0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 25.659 0.000 -13.656) 29.066 2.515 ( -23.199 0.000 -24.260) 33.567 2.963 ( -8.755 0.000 5.199) 10.183 3.281 ( -10.114 0.000 0.177) 10.115 3.497 ( -6.052 0.000 -4.756) 7.697 4.018 ( 3.118 0.000 -6.453) 7.167 4.066 ( 7.617 0.000 -1.861) 7.841 4.420 ( 11.319 0.000 -4.369) 12.132 4.820 ( -2.489 0.000 -3.882) 4.612 5.085 ( -1.941 0.000 11.179) 11.347 5.246 ( 2.390 0.000 -2.187) 3.239 5.293 ( 3.388 0.000 -4.733) 5.820 5.417 ( -7.210 0.000 -4.860) 8.695 5.692 ( 8.578 0.000 21.319) 22.980 5.796 ( -8.010 0.000 3.827) 8.877 5.914 ( -1.889 0.000 -2.483) 3.119 5.959 ( -4.545 0.000 -1.719) 4.859 6.186 ( 10.983 0.000 -4.160) 11.744 6.306 ( -2.158 0.000 -2.839) 3.566 6.357 ( -4.098 0.000 -1.604) 4.401 7.086 ( 1.204 0.000 14.805) 14.853 7.168 ( -1.825 0.000 -5.572) 5.864 7.389 ( 2.511 0.000 7.137) 7.566 7.481 ( -4.189 0.000 7.995) 9.026 8.089 ( -13.842 0.000 -9.362) 16.710 8.422 ( 1.276 0.000 10.572) 10.649 8.516 ( 12.153 0.000 -6.991) 14.020 8.952 ( 6.713 0.000 -0.487) 6.731 9.032 ( -4.240 0.000 1.908) 4.650 9.174 ( 14.691 0.000 17.992) 23.228 9.653 ( -9.749 0.000 -13.696) 16.811 9.827 ( 5.914 0.000 -11.890) 13.280 10.581 ( 3.053 0.000 3.447) 4.605 10.792 ( 2.008 0.000 7.422) 7.689 10.968 ( 1.902 0.000 4.706) 5.076 11.271 ( -8.589 0.000 -4.484) 9.689 11.867 ( 7.049 0.000 -0.850) 7.100 12.208 ( 1.919 0.000 8.034) 8.261 12.520 ( -2.655 0.000 -6.999) 7.486 12.684 ( -3.295 0.000 13.424) 13.822 12.883 ( -3.553 0.000 -3.848) 5.237 13.883 ( 4.349 0.000 -5.976) 7.391 13.953 ( -7.590 0.000 -11.525) 13.800 14.256 ( -3.734 0.000 -7.968) 8.799 14.741 ( 0.554 0.000 -17.879) 17.887 14.919 ( 0.154 0.000 -0.004) 0.155 15.393 ( -12.605 0.000 -9.017) 15.498 15.528 ( 7.896 0.000 -0.680) 7.925 15.733 ( 0.129 0.000 -2.035) 2.039 17.571 ( 0.814 0.000 7.816) 7.858 18.102 ( 2.832 0.000 11.014) 11.372 18.391 ( 4.782 0.000 13.780) 14.586 24.763 ( -1.847 0.000 -3.307) 3.788 24.959 ( -0.319 0.000 -0.616) 0.693 26.881 ( -1.033 0.000 0.248) 1.062 27.137 ( 0.104 0.000 3.957) 3.959 28.242 ( 1.626 0.000 -0.750) 1.790 28.417 ( -4.897 0.000 -2.272) 5.398 28.488 ( -2.254 0.000 3.110) 3.841 28.787 ( 2.127 0.000 -8.909) 9.159 28.870 ( -5.993 0.000 -6.233) 8.647 29.036 ( -0.264 0.000 -1.082) 1.113 29.759 ( 10.010 0.000 3.093) 10.477 29.808 ( -1.401 0.000 -1.560) 2.096 30.007 ( -0.252 0.000 -3.136) 3.146 31.992 ( 6.672 0.000 13.395) 14.964 ======================= Grid point 161 (76/156) ======================= q-point: (-0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -26.870 0.000 -9.150) 28.386 2.541 ( 30.034 0.000 -7.648) 30.993 2.859 ( -4.569 0.000 3.893) 6.003 3.042 ( -16.240 0.000 4.199) 16.774 3.387 ( -2.519 0.000 -4.300) 4.983 4.003 ( -7.113 0.000 1.149) 7.205 4.186 ( 7.266 0.000 -2.990) 7.857 4.421 ( -9.336 0.000 -9.190) 13.100 4.779 ( -0.580 0.000 -1.030) 1.182 5.113 ( -2.153 0.000 4.518) 5.005 5.270 ( 2.229 0.000 -2.947) 3.695 5.304 ( 2.576 0.000 4.434) 5.128 5.393 ( 12.471 0.000 -10.330) 16.194 5.677 ( -6.978 0.000 6.414) 9.478 5.844 ( -0.193 0.000 1.964) 1.974 5.948 ( 3.349 0.000 -0.126) 3.352 5.966 ( 4.526 0.000 10.971) 11.868 6.227 ( -3.936 0.000 -3.722) 5.417 6.337 ( 11.288 0.000 -9.454) 14.724 6.407 ( 6.288 0.000 6.687) 9.179 7.037 ( -10.723 0.000 -1.321) 10.804 7.179 ( -0.852 0.000 13.678) 13.705 7.410 ( -5.670 0.000 1.029) 5.762 7.463 ( 0.235 0.000 4.746) 4.752 7.803 ( -9.672 0.000 -9.444) 13.518 8.527 ( 2.524 0.000 9.327) 9.663 8.682 ( 8.614 0.000 -3.385) 9.255 8.937 ( -3.257 0.000 1.097) 3.437 9.169 ( 14.964 0.000 -2.439) 15.161 9.361 ( -11.781 0.000 -10.627) 15.866 9.535 ( 15.028 0.000 7.925) 16.989 9.879 ( 6.815 0.000 -9.718) 11.869 10.621 ( 0.013 0.000 1.184) 1.184 10.917 ( 4.824 0.000 6.789) 8.328 11.054 ( 4.244 0.000 5.395) 6.865 11.063 ( -9.608 0.000 -4.508) 10.613 12.038 ( 9.639 0.000 2.149) 9.876 12.248 ( -1.458 0.000 2.707) 3.075 12.422 ( -2.773 0.000 -6.297) 6.881 12.715 ( -2.407 0.000 12.009) 12.247 12.823 ( -1.075 0.000 -0.635) 1.249 13.788 ( -4.868 0.000 -4.071) 6.345 13.887 ( -0.448 0.000 -4.767) 4.788 14.165 ( -1.349 0.000 -5.977) 6.128 14.660 ( 0.994 0.000 -12.043) 12.084 14.918 ( -0.664 0.000 0.564) 0.871 15.109 ( -11.170 0.000 -9.430) 14.619 15.564 ( -2.655 0.000 -0.112) 2.657 15.820 ( 9.414 0.000 -1.048) 9.472 17.628 ( 0.291 0.000 6.136) 6.143 18.210 ( 2.832 0.000 6.671) 7.247 18.550 ( 4.560 0.000 8.198) 9.381 24.714 ( -1.400 0.000 -1.963) 2.411 24.983 ( 2.401 0.000 1.180) 2.676 26.846 ( -2.872 0.000 -0.028) 2.872 27.154 ( -1.030 0.000 3.559) 3.705 28.251 ( 0.024 0.000 -1.459) 1.459 28.303 ( -5.741 0.000 -2.274) 6.175 28.445 ( -4.436 0.000 2.765) 5.228 28.740 ( -1.130 0.000 -8.732) 8.805 28.773 ( -1.997 0.000 -1.084) 2.272 29.031 ( -0.272 0.000 0.754) 0.802 29.791 ( 0.146 0.000 -0.684) 0.700 29.979 ( 13.330 0.000 -1.641) 13.430 29.986 ( -0.425 0.000 -1.017) 1.103 32.166 ( 5.506 0.000 6.670) 8.649 ======================= Grid point 162 (77/156) ======================= q-point: (-0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -20.823 0.000 19.869) 28.781 2.534 ( -25.844 0.000 14.098) 29.439 2.853 ( -1.959 0.000 0.488) 2.018 3.190 ( 26.328 0.000 -4.252) 26.669 3.367 ( 6.145 0.000 -5.207) 8.055 3.609 ( -41.060 0.000 15.715) 43.965 4.154 ( -8.269 0.000 -18.032) 19.837 4.292 ( 6.937 0.000 -3.907) 7.962 4.777 ( 0.183 0.000 1.381) 1.393 5.083 ( -1.817 0.000 5.806) 6.084 5.296 ( 2.643 0.000 -2.532) 3.660 5.423 ( 4.308 0.000 8.258) 9.314 5.606 ( 7.751 0.000 -11.251) 13.663 5.758 ( 19.260 0.000 -2.184) 19.383 5.856 ( 0.122 0.000 3.142) 3.144 6.014 ( -2.787 0.000 -5.389) 6.067 6.055 ( 8.050 0.000 5.917) 9.990 6.163 ( -2.119 0.000 3.628) 4.202 6.458 ( -1.155 0.000 1.178) 1.650 6.581 ( 8.384 0.000 1.395) 8.499 6.852 ( -2.501 0.000 2.687) 3.671 7.216 ( -3.037 0.000 6.769) 7.418 7.313 ( -2.551 0.000 -7.735) 8.145 7.375 ( -8.494 0.000 -6.206) 10.520 7.713 ( 2.359 0.000 1.977) 3.078 8.562 ( -5.830 0.000 4.938) 7.640 8.720 ( -4.214 0.000 3.628) 5.561 8.967 ( 5.514 0.000 0.169) 5.517 9.139 ( -3.563 0.000 -9.593) 10.234 9.467 ( 20.959 0.000 -7.302) 22.195 9.829 ( 15.589 0.000 -7.701) 17.387 9.932 ( 2.909 0.000 0.742) 3.002 10.618 ( -0.621 0.000 0.577) 0.848 10.921 ( -2.894 0.000 -1.446) 3.235 10.933 ( -4.026 0.000 -7.333) 8.366 11.201 ( 6.887 0.000 3.830) 7.880 12.196 ( 4.384 0.000 5.342) 6.911 12.210 ( -3.126 0.000 3.821) 4.937 12.357 ( -1.936 0.000 -1.666) 2.554 12.728 ( -3.817 0.000 8.823) 9.614 12.833 ( 1.473 0.000 0.814) 1.683 13.752 ( 0.560 0.000 9.724) 9.740 13.796 ( -7.464 0.000 -2.137) 7.764 14.162 ( 3.044 0.000 3.317) 4.502 14.627 ( 1.453 0.000 -5.988) 6.162 14.902 ( -1.294 0.000 0.591) 1.422 14.908 ( -4.148 0.000 -8.309) 9.287 15.506 ( -2.263 0.000 -1.652) 2.802 15.996 ( 10.037 0.000 -0.375) 10.044 17.646 ( -2.358 0.000 4.892) 5.431 18.281 ( 2.191 0.000 1.041) 2.425 18.634 ( 1.193 0.000 0.267) 1.222 24.702 ( 0.799 0.000 1.062) 1.330 25.050 ( 2.981 0.000 4.168) 5.124 26.784 ( -3.587 0.000 -0.532) 3.626 27.135 ( -3.680 0.000 3.359) 4.982 28.195 ( -4.256 0.000 -2.282) 4.829 28.227 ( -1.460 0.000 -1.618) 2.179 28.367 ( -5.089 0.000 0.827) 5.156 28.647 ( -3.483 0.000 -6.943) 7.768 28.784 ( 1.591 0.000 4.895) 5.147 29.032 ( -0.427 0.000 1.560) 1.618 29.799 ( 0.758 0.000 -0.018) 0.758 29.993 ( 1.475 0.000 1.742) 2.282 30.202 ( 13.632 0.000 -6.431) 15.073 32.255 ( 2.593 0.000 -4.629) 5.305 ======================= Grid point 163 (78/156) ======================= q-point: (-0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -9.901 0.000 42.982) 44.107 2.114 ( -31.071 0.000 22.381) 38.292 2.857 ( 3.501 0.000 -4.825) 5.961 2.897 ( -47.943 0.000 26.256) 54.661 3.339 ( 0.779 0.000 4.220) 4.292 3.734 ( 26.701 0.000 -7.853) 27.832 3.866 ( -11.266 0.000 -15.457) 19.127 4.385 ( 5.943 0.000 -3.988) 7.157 4.809 ( 1.751 0.000 3.455) 3.873 5.168 ( 5.548 0.000 9.243) 10.780 5.330 ( 2.452 0.000 -2.208) 3.299 5.514 ( 0.163 0.000 5.627) 5.630 5.675 ( 8.866 0.000 -9.569) 13.045 5.836 ( -4.903 0.000 -9.826) 10.981 5.917 ( -0.458 0.000 1.282) 1.361 6.041 ( 12.094 0.000 -1.503) 12.187 6.125 ( -5.187 0.000 2.266) 5.660 6.155 ( -15.387 0.000 -2.830) 15.645 6.437 ( 16.209 0.000 10.052) 19.073 6.739 ( 6.645 0.000 8.122) 10.494 7.051 ( 15.277 0.000 1.392) 15.340 7.071 ( -9.061 0.000 -13.683) 16.411 7.240 ( 4.245 0.000 -15.554) 16.123 7.254 ( -4.406 0.000 4.616) 6.381 7.834 ( 7.572 0.000 5.001) 9.074 8.376 ( -14.059 0.000 -0.766) 14.079 8.639 ( -6.201 0.000 2.906) 6.849 9.061 ( 0.808 0.000 8.544) 8.582 9.072 ( -1.131 0.000 -11.852) 11.906 9.812 ( 24.169 0.000 -14.985) 28.438 9.838 ( -1.658 0.000 -21.318) 21.383 10.084 ( 4.459 0.000 3.553) 5.701 10.589 ( -1.804 0.000 -5.048) 5.361 10.737 ( -5.919 0.000 -7.517) 9.568 10.963 ( 6.935 0.000 3.190) 7.634 11.277 ( 0.297 0.000 -0.962) 1.006 12.237 ( -5.540 0.000 9.392) 10.905 12.241 ( 2.262 0.000 1.295) 2.606 12.320 ( -3.684 0.000 11.449) 12.027 12.695 ( -2.892 0.000 3.227) 4.333 12.864 ( 2.380 0.000 -2.188) 3.233 13.590 ( -14.959 0.000 1.461) 15.030 13.995 ( 14.375 0.000 23.397) 27.460 14.337 ( 9.659 0.000 13.770) 16.820 14.637 ( 1.904 0.000 -0.950) 2.128 14.871 ( 4.767 0.000 -5.775) 7.488 14.930 ( 5.685 0.000 9.432) 11.013 15.467 ( -0.513 0.000 -3.561) 3.598 16.172 ( 9.961 0.000 -0.858) 9.998 17.600 ( -5.882 0.000 4.344) 7.312 18.292 ( 0.143 0.000 -5.111) 5.113 18.583 ( -4.414 0.000 -7.196) 8.442 24.782 ( 6.614 0.000 6.180) 9.052 25.141 ( 2.990 0.000 8.515) 9.025 26.719 ( -2.826 0.000 -0.847) 2.950 27.056 ( -7.135 0.000 2.591) 7.591 28.136 ( -0.400 0.000 -2.044) 2.083 28.183 ( -2.419 0.000 -0.901) 2.581 28.285 ( -3.697 0.000 -0.938) 3.814 28.535 ( -4.807 0.000 -4.537) 6.610 28.876 ( 3.182 0.000 9.706) 10.214 29.039 ( 0.090 0.000 2.156) 2.158 29.812 ( 0.751 0.000 -0.075) 0.755 30.070 ( 4.783 0.000 4.435) 6.523 30.373 ( 10.888 0.000 -11.106) 15.553 32.128 ( -10.501 0.000 -22.750) 25.056 ======================= Grid point 164 (79/156) ======================= q-point: (-0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -16.502 0.000 33.380) 37.236 1.748 ( -26.552 0.000 31.318) 41.058 2.407 ( -25.636 0.000 48.125) 54.528 2.916 ( 7.171 0.000 -7.533) 10.401 3.381 ( 0.651 0.000 5.486) 5.525 3.616 ( -5.557 0.000 -9.640) 11.126 4.087 ( 16.308 0.000 -5.219) 17.122 4.446 ( 2.915 0.000 -3.461) 4.525 4.882 ( 3.238 0.000 4.793) 5.784 5.323 ( 2.312 0.000 6.159) 6.578 5.347 ( 1.486 0.000 -4.641) 4.873 5.480 ( -4.916 0.000 0.023) 4.916 5.623 ( -7.264 0.000 -18.789) 20.144 5.803 ( 6.022 0.000 -1.116) 6.125 5.841 ( -9.919 0.000 -5.413) 11.300 5.952 ( -0.096 0.000 5.853) 5.853 6.021 ( -6.334 0.000 2.003) 6.643 6.258 ( 15.095 0.000 -2.517) 15.304 6.768 ( 7.490 0.000 6.501) 9.917 6.831 ( -6.977 0.000 -12.589) 14.393 6.914 ( 8.708 0.000 3.383) 9.342 7.201 ( -3.761 0.000 1.090) 3.916 7.233 ( 10.834 0.000 -2.487) 11.116 7.418 ( 18.852 0.000 -7.238) 20.193 8.033 ( 11.155 0.000 3.704) 11.754 8.109 ( -13.433 0.000 -1.144) 13.482 8.541 ( -5.747 0.000 0.691) 5.789 8.723 ( -26.577 0.000 -29.703) 39.857 9.088 ( -6.449 0.000 15.812) 17.077 9.575 ( -11.159 0.000 -6.920) 13.130 10.045 ( -5.086 0.000 1.866) 5.417 10.120 ( 21.078 0.000 -20.079) 29.112 10.592 ( 1.479 0.000 -1.387) 2.028 10.751 ( 7.781 0.000 1.502) 7.924 11.184 ( 13.480 0.000 4.308) 14.152 11.230 ( -3.430 0.000 -1.603) 3.786 12.127 ( -11.787 0.000 11.446) 16.430 12.154 ( -8.238 0.000 -2.912) 8.737 12.460 ( 7.094 0.000 11.857) 13.817 12.704 ( 2.802 0.000 0.624) 2.871 12.901 ( 2.859 0.000 -1.516) 3.236 13.288 ( -20.074 0.000 4.688) 20.615 14.366 ( 7.372 0.000 14.180) 15.982 14.573 ( 10.173 0.000 8.113) 13.012 14.637 ( -0.648 0.000 -1.982) 2.085 14.981 ( 9.318 0.000 -2.821) 9.735 15.430 ( -1.004 0.000 -4.971) 5.071 15.529 ( 43.592 0.000 27.385) 51.480 16.341 ( 9.651 0.000 -2.678) 10.015 17.497 ( -8.228 0.000 4.841) 9.546 18.223 ( -1.959 0.000 -9.508) 9.708 18.419 ( -6.542 0.000 -8.640) 10.837 25.016 ( 11.044 0.000 5.424) 12.304 25.333 ( 16.134 0.000 13.978) 21.347 26.681 ( -0.627 0.000 -0.744) 0.973 26.918 ( -8.975 0.000 0.671) 9.000 28.133 ( -2.632 0.000 -0.050) 2.632 28.162 ( 4.346 0.000 -0.862) 4.430 28.229 ( -1.472 0.000 -1.918) 2.418 28.415 ( -6.285 0.000 -2.176) 6.651 29.008 ( 3.191 0.000 13.289) 13.667 29.070 ( 1.598 0.000 3.271) 3.641 29.826 ( 0.840 0.000 -0.689) 1.087 30.203 ( 5.875 0.000 3.972) 7.091 30.443 ( 5.719 0.000 -15.174) 16.216 31.476 ( -43.036 0.000 -30.653) 52.836 ======================= Grid point 165 (80/156) ======================= q-point: ( 0.00 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -3.021 16.171 25.286) 30.166 1.892 ( -5.361 20.046 30.146) 36.598 2.725 ( -4.564 20.181 32.695) 38.692 3.118 ( 3.614 8.839 -9.026) 13.140 3.344 ( 1.906 -8.947 10.092) 13.621 3.686 ( 5.982 6.712 6.144) 10.889 4.092 ( 5.383 -15.278 -1.557) 16.273 4.348 ( -3.150 -6.962 -5.666) 9.513 4.934 ( 0.990 -5.143 1.745) 5.520 5.057 ( -8.158 -3.971 -8.222) 12.245 5.287 ( 0.089 -2.069 -4.313) 4.785 5.383 ( 2.440 -6.726 3.824) 8.113 5.538 ( -4.889 7.693 -11.596) 14.750 5.732 ( -3.104 -3.115 0.511) 4.427 5.868 ( 2.783 6.064 1.261) 6.790 5.973 ( 1.439 3.548 -3.590) 5.249 6.082 ( -4.791 6.559 4.464) 9.268 6.433 ( 9.548 -4.744 -6.021) 12.244 6.687 ( -7.030 -3.548 -4.372) 9.006 6.828 ( 0.460 5.731 -3.809) 6.897 7.090 ( -1.485 -5.109 0.157) 5.323 7.136 ( 8.706 -1.275 -1.476) 8.922 7.337 ( -1.752 -1.449 -3.260) 3.974 7.489 ( 4.592 -10.265 0.508) 11.257 7.926 ( 5.774 -7.542 -1.702) 9.650 7.940 ( -17.658 -1.764 -9.819) 20.281 8.354 ( 9.259 7.710 0.464) 12.057 8.715 ( -5.681 15.616 -8.704) 18.759 8.989 ( -7.453 -1.883 12.086) 14.324 9.492 ( -5.906 4.692 -2.992) 8.115 9.951 ( -1.246 -2.400 3.727) 4.605 10.277 ( 6.009 -0.552 -9.670) 11.398 10.634 ( 0.177 4.244 -2.788) 5.081 10.868 ( 3.537 -1.215 -3.286) 4.978 11.012 ( -1.599 -7.997 -1.397) 8.274 11.615 ( 7.204 3.238 3.626) 8.691 11.850 ( -6.197 -4.003 -3.890) 8.340 12.057 ( -0.395 -0.517 10.736) 10.755 12.648 ( 7.260 -0.885 7.651) 10.584 12.762 ( 1.409 -2.068 1.608) 2.974 12.936 ( -2.292 4.905 5.090) 7.431 13.116 ( -9.714 9.004 -1.099) 13.290 14.405 ( -1.401 -3.237 3.323) 4.845 14.469 ( -0.619 -9.701 0.343) 9.727 14.785 ( 7.405 -7.033 12.499) 16.140 15.236 ( 4.606 -1.110 9.468) 10.587 15.309 ( 10.461 -2.176 -5.704) 12.112 15.713 ( 8.035 -18.381 5.976) 20.932 16.939 ( 4.562 17.646 -10.734) 21.152 17.475 ( -2.714 6.408 4.161) 8.108 18.115 ( -4.347 -0.661 -9.517) 10.483 18.305 ( -2.206 0.437 -7.443) 7.775 25.102 ( 0.504 -2.265 4.505) 5.068 25.578 ( 17.627 -22.138 7.383) 29.246 26.671 ( 1.204 -1.684 -0.003) 2.070 26.739 ( -5.161 -2.019 -1.202) 5.671 28.133 ( 2.320 -1.925 -2.222) 3.745 28.251 ( -0.186 -0.659 -1.194) 1.376 28.307 ( 1.911 10.689 -1.046) 10.909 28.532 ( 5.438 14.921 -3.895) 16.352 29.140 ( 0.931 1.387 8.892) 9.047 29.165 ( 2.748 2.378 10.766) 11.363 29.805 ( -6.454 2.017 -3.928) 7.820 30.148 ( -9.082 -3.635 -1.850) 9.956 30.429 ( -3.646 3.642 -14.984) 15.846 30.635 ( -14.742 0.361 -3.393) 15.132 ======================= Grid point 166 (81/156) ======================= q-point: ( 0.09 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 10.954 15.809 24.058) 30.801 2.054 ( 6.958 21.752 23.339) 32.654 2.895 ( 7.443 10.840 10.502) 16.828 3.152 ( 3.616 6.975 -1.975) 8.100 3.486 ( 4.577 -5.310 13.486) 15.199 3.895 ( 9.758 -0.395 9.090) 13.342 4.108 ( -3.350 -13.854 0.848) 14.278 4.257 ( -1.038 -3.085 -4.736) 5.747 4.807 ( -6.485 -6.770 -14.249) 17.056 5.030 ( 1.535 -1.341 4.336) 4.791 5.227 ( -2.918 8.349 -3.574) 9.539 5.327 ( -1.914 -2.233 -3.381) 4.481 5.532 ( -2.999 -2.992 3.315) 5.379 5.686 ( 1.039 1.893 -0.478) 2.211 5.866 ( -1.769 4.175 0.198) 4.538 5.952 ( -1.076 0.958 -3.467) 3.754 6.152 ( 10.216 7.492 -2.032) 12.830 6.373 ( -11.089 -4.023 -2.289) 12.016 6.636 ( 2.873 -3.550 -5.102) 6.847 6.870 ( 3.482 2.946 2.273) 5.097 7.018 ( -2.065 -11.342 -4.662) 12.435 7.199 ( -7.769 4.882 -0.396) 9.184 7.252 ( -0.839 -2.841 -2.245) 3.717 7.502 ( -3.603 -5.278 -5.355) 8.338 7.665 ( -0.989 -2.070 -1.532) 2.759 8.101 ( 8.300 -8.732 -6.384) 13.634 8.446 ( -0.050 11.509 -4.845) 12.487 8.651 ( 5.186 5.888 0.294) 7.851 8.905 ( -9.926 2.583 11.921) 15.726 9.450 ( 3.063 0.633 -2.309) 3.888 9.933 ( -3.638 -1.045 3.763) 5.337 10.250 ( -3.086 2.153 -8.162) 8.988 10.595 ( -2.309 2.992 -0.498) 3.812 10.795 ( -4.653 -0.393 -5.735) 7.396 11.059 ( 3.313 -13.674 2.809) 14.348 11.554 ( -9.700 -12.617 -0.157) 15.915 11.839 ( 2.618 16.560 -0.583) 16.776 12.245 ( 11.776 -0.410 8.157) 14.331 12.646 ( -11.448 1.331 4.879) 12.515 12.845 ( 0.573 -0.898 4.229) 4.361 12.887 ( -0.844 0.399 8.605) 8.656 13.084 ( 6.948 7.295 -7.504) 12.562 14.377 ( -1.342 -4.946 1.824) 5.440 14.483 ( 0.940 -4.620 -0.733) 4.772 14.956 ( 2.430 -13.749 11.544) 18.116 15.236 ( -2.723 -1.323 -2.409) 3.869 15.487 ( 9.494 4.814 0.119) 10.646 15.841 ( 1.913 -16.286 2.016) 16.521 16.857 ( -4.353 18.428 -13.567) 23.294 17.415 ( -5.711 6.129 6.995) 10.914 17.971 ( -5.897 -1.372 -5.466) 8.157 18.202 ( -5.758 -1.913 -6.140) 8.632 25.095 ( -3.213 -1.508 2.569) 4.382 25.737 ( -4.231 -22.997 0.990) 23.404 26.699 ( 1.482 -0.806 -2.232) 2.798 26.743 ( 5.684 -6.319 2.714) 8.922 28.175 ( 3.673 -0.377 -2.465) 4.440 28.247 ( 1.003 3.215 -1.236) 3.587 28.336 ( 2.508 8.294 -1.797) 8.849 28.661 ( 11.789 13.384 -9.227) 20.081 29.066 ( -12.303 6.481 3.993) 14.468 29.292 ( 1.867 2.480 14.382) 14.714 29.641 ( -2.517 1.103 5.826) 6.441 30.034 ( -3.511 -4.225 -2.591) 6.073 30.276 ( -3.047 4.984 -10.741) 12.227 30.630 ( 6.742 -2.228 -0.130) 7.102 ======================= Grid point 167 (82/156) ======================= q-point: ( 0.18 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 10.184 5.012 20.359) 23.310 2.434 ( 19.331 18.488 15.373) 30.852 3.035 ( 2.559 6.607 -4.297) 8.286 3.300 ( 14.272 9.015 5.848) 17.865 3.608 ( 2.312 -6.521 2.781) 7.457 3.985 ( -8.352 -6.987 -2.343) 11.138 4.084 ( 6.358 -2.297 5.218) 8.540 4.286 ( 3.004 -1.515 -4.356) 5.504 4.634 ( -2.685 0.567 -5.717) 6.342 5.062 ( -0.251 -2.319 3.281) 4.026 5.222 ( -0.856 1.667 3.036) 3.568 5.317 ( 3.631 0.644 1.038) 3.831 5.418 ( -7.041 -0.313 -0.925) 7.109 5.692 ( -2.113 6.169 -0.902) 6.583 5.861 ( 0.320 -6.028 -0.649) 6.071 5.940 ( 0.965 1.575 1.744) 2.540 6.164 ( -9.653 0.223 0.222) 9.658 6.321 ( 8.519 7.679 -5.269) 12.621 6.583 ( -6.954 -3.435 -3.785) 8.630 6.883 ( -4.909 -3.690 0.551) 6.166 6.999 ( 2.529 -1.860 2.303) 3.893 7.118 ( -1.511 3.173 -6.579) 7.459 7.152 ( -2.226 -4.028 0.077) 4.603 7.312 ( -9.818 -1.209 -8.357) 12.950 7.808 ( 10.887 -5.010 4.845) 12.927 8.134 ( 2.257 -6.535 -6.859) 9.740 8.418 ( -0.174 10.072 -0.964) 10.119 8.756 ( -3.592 2.681 5.931) 7.434 8.838 ( 3.297 3.182 2.790) 5.364 9.521 ( 3.887 -7.238 -3.602) 8.970 9.865 ( -5.482 0.812 2.760) 6.191 10.092 ( -8.007 7.688 -4.586) 12.011 10.562 ( -1.073 1.433 -1.513) 2.344 10.695 ( -3.446 -1.535 -0.754) 3.847 11.120 ( 2.494 -14.770 -2.411) 15.172 11.396 ( -6.521 -10.412 0.060) 12.286 11.860 ( -0.663 15.937 1.818) 16.054 12.379 ( -9.618 8.928 4.117) 13.754 12.558 ( 4.493 -4.496 12.347) 13.887 12.812 ( -4.067 -0.577 2.132) 4.628 12.945 ( 0.876 -5.064 2.178) 5.582 13.225 ( 12.864 2.971 -7.227) 15.051 14.392 ( 0.473 -3.606 3.689) 5.180 14.489 ( 1.272 -2.497 -2.419) 3.702 15.008 ( -1.893 -16.101 4.579) 16.846 15.163 ( -2.424 -2.255 -5.998) 6.851 15.594 ( 2.874 2.298 -6.310) 7.304 15.836 ( -1.270 1.439 -0.725) 2.051 16.648 ( -9.036 16.369 -11.372) 21.884 17.375 ( -4.330 0.702 7.464) 8.658 17.860 ( -4.365 0.162 1.203) 4.531 18.051 ( -7.112 -1.275 0.676) 7.257 25.031 ( -4.257 -0.804 -0.386) 4.350 25.545 ( -14.289 -13.020 1.020) 19.358 26.731 ( 3.377 -0.746 -2.782) 4.438 26.866 ( 4.373 -7.120 4.831) 9.652 28.199 ( 0.364 6.042 -0.663) 6.089 28.306 ( 5.769 2.145 -1.360) 6.303 28.384 ( 4.578 5.003 -2.978) 7.406 28.765 ( 5.945 11.101 -12.638) 17.841 28.943 ( -1.852 -1.728 4.258) 4.954 29.404 ( 0.680 3.897 13.566) 14.131 29.737 ( 5.479 -0.331 6.345) 8.390 29.854 ( -9.466 -5.580 -14.435) 18.141 30.217 ( -1.469 6.190 -0.281) 6.369 30.805 ( 10.818 -4.937 4.905) 12.863 ======================= Grid point 168 (83/156) ======================= q-point: ( 0.27 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 2.314 -2.676 11.171) 11.718 2.849 ( 16.389 13.991 7.954) 22.970 3.020 ( 1.080 16.655 0.846) 16.712 3.597 ( 8.498 -4.331 -1.978) 9.741 3.634 ( 3.647 -7.604 -9.135) 12.432 3.868 ( 4.263 5.849 -3.070) 7.863 4.094 ( -6.991 0.581 -5.858) 9.140 4.315 ( 5.878 -1.061 -3.697) 7.025 4.683 ( 4.282 4.496 11.271) 12.867 5.080 ( -0.245 -1.725 2.072) 2.707 5.121 ( -8.134 -6.079 -0.516) 10.168 5.309 ( -4.054 -0.646 -0.652) 4.157 5.468 ( 4.658 5.155 -0.847) 6.999 5.652 ( 0.098 -3.185 6.192) 6.964 5.851 ( -2.091 1.462 3.010) 3.946 5.986 ( -1.263 2.071 -0.082) 2.427 5.993 ( -4.959 1.530 -3.946) 6.519 6.328 ( -7.806 3.931 1.483) 8.865 6.416 ( -4.082 -0.688 -4.644) 6.221 6.795 ( -3.486 -4.610 -2.438) 6.273 6.987 ( -4.742 0.598 -3.861) 6.144 7.096 ( 2.025 -0.767 6.584) 6.931 7.135 ( -1.971 -0.956 -1.770) 2.816 7.242 ( 7.624 -3.704 -5.453) 10.079 8.022 ( 8.167 -5.551 3.409) 10.447 8.182 ( 6.011 -4.154 3.897) 8.282 8.407 ( -0.705 7.727 -0.151) 7.761 8.678 ( -6.183 6.282 5.660) 10.475 8.957 ( 6.052 -0.890 -0.959) 6.192 9.430 ( -10.246 -10.353 -6.911) 16.123 9.824 ( -1.674 2.599 4.399) 5.377 9.974 ( -1.484 9.094 -3.523) 9.865 10.523 ( -1.413 1.685 -3.250) 3.924 10.673 ( -0.129 -2.982 2.949) 4.196 11.088 ( -2.073 -10.099 -8.689) 13.483 11.342 ( -0.463 -7.164 1.640) 7.364 11.862 ( -0.694 8.933 5.370) 10.445 12.189 ( -12.001 4.080 3.701) 13.205 12.691 ( -3.153 0.270 14.056) 14.408 12.758 ( -0.542 3.648 -0.744) 3.762 12.953 ( 0.210 -9.474 -1.176) 9.549 13.434 ( 14.437 -1.614 -6.579) 15.947 14.394 ( -2.269 0.701 0.289) 2.393 14.530 ( 4.120 -3.205 -0.064) 5.220 14.955 ( -5.393 -15.221 -1.569) 16.224 15.067 ( -1.349 -6.943 -12.928) 14.737 15.498 ( -4.338 6.858 -14.219) 16.371 15.830 ( 1.491 13.406 -1.993) 13.635 16.402 ( -11.209 11.925 -9.233) 18.790 17.353 ( -3.006 -5.562 8.143) 10.309 17.836 ( -1.635 1.832 7.960) 8.330 17.996 ( -2.593 -0.747 9.834) 10.198 24.948 ( -3.697 -0.236 -2.719) 4.595 25.301 ( -12.573 -6.863 0.650) 14.339 26.779 ( 3.465 -0.967 -2.201) 4.217 26.956 ( 2.282 -5.053 5.405) 7.743 28.204 ( 0.758 6.823 -0.441) 6.880 28.401 ( 4.692 3.747 0.585) 6.033 28.459 ( 5.447 1.297 -3.437) 6.570 28.772 ( 3.529 7.316 -8.173) 11.523 28.980 ( 2.924 -4.690 -1.338) 5.686 29.486 ( -0.446 5.328 12.154) 13.278 29.566 ( -11.290 -4.905 -14.670) 19.150 29.863 ( 5.101 -0.355 0.806) 5.177 30.170 ( -3.333 6.176 -1.094) 7.103 31.068 ( 11.425 -8.297 12.922) 19.140 ======================= Grid point 169 (84/156) ======================= q-point: ( 0.36 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -8.665 11.580 0.754) 14.482 3.087 ( 9.171 12.793 -1.701) 15.833 3.120 ( 4.628 8.156 -1.074) 9.439 3.514 ( -5.734 -3.586 -5.403) 8.656 3.677 ( 6.401 -7.167 -9.666) 13.630 3.902 ( -9.625 1.141 -2.826) 10.096 4.086 ( 13.928 3.780 -6.669) 15.898 4.323 ( -1.135 7.351 -8.436) 11.247 4.865 ( 3.799 -5.535 15.564) 16.950 5.022 ( -0.751 -4.662 2.252) 5.232 5.067 ( -1.624 0.519 -2.164) 2.755 5.260 ( -1.733 3.268 6.574) 7.543 5.427 ( -4.124 1.480 0.949) 4.483 5.696 ( -8.913 6.153 -4.313) 11.658 5.786 ( 4.914 -3.512 2.494) 6.535 5.939 ( 2.661 2.210 3.879) 5.197 6.038 ( 2.081 0.623 -3.380) 4.018 6.150 ( -10.099 -3.718 -2.386) 11.023 6.365 ( -0.327 2.350 -0.103) 2.375 6.682 ( -8.813 -9.036 -1.694) 12.735 6.937 ( 1.764 4.854 -1.026) 5.266 7.129 ( 1.960 -2.882 -0.868) 3.591 7.198 ( 2.193 -1.822 10.137) 10.530 7.337 ( 4.438 -3.407 -0.743) 5.644 8.166 ( 8.532 -1.783 -0.219) 8.719 8.358 ( 2.917 -0.070 6.593) 7.210 8.422 ( 5.015 0.553 5.750) 7.650 8.610 ( -4.568 5.251 3.391) 7.742 9.003 ( -1.980 -1.024 -0.893) 2.402 9.185 ( -8.960 -4.366 -3.055) 10.425 9.825 ( 1.375 2.533 -3.424) 4.475 9.953 ( -0.164 4.500 -4.371) 6.275 10.489 ( -0.959 1.484 0.762) 1.924 10.701 ( 0.518 -3.256 3.080) 4.512 10.980 ( -3.461 -4.195 -5.798) 7.949 11.366 ( 2.921 -2.158 -2.357) 4.330 11.912 ( 0.166 -0.418 8.923) 8.935 12.009 ( -8.792 0.438 1.707) 8.967 12.646 ( -3.908 0.319 -0.033) 3.922 12.752 ( -5.910 3.929 11.278) 13.325 12.957 ( 2.006 -5.369 -3.785) 6.868 13.638 ( 11.326 -4.070 -4.499) 12.849 14.326 ( -3.405 2.348 -4.621) 6.202 14.585 ( 0.211 -0.277 -3.463) 3.480 14.803 ( -6.328 -11.454 -5.347) 14.136 14.952 ( -0.913 -10.600 -18.336) 21.199 15.369 ( 1.224 10.626 -11.417) 15.645 15.842 ( 0.446 12.741 -3.261) 13.159 16.137 ( -11.076 10.354 -8.375) 17.322 17.375 ( -1.133 -7.819 10.150) 12.862 17.891 ( 0.614 2.095 11.877) 12.076 18.062 ( 0.769 -1.615 14.772) 14.880 24.871 ( -2.367 0.046 -3.785) 4.464 25.110 ( -8.691 -3.884 -0.291) 9.524 26.825 ( 2.662 -1.407 -1.195) 3.240 27.019 ( 1.197 -3.953 4.878) 6.392 28.222 ( 1.571 5.397 -0.657) 5.659 28.479 ( 3.041 3.403 1.082) 4.690 28.516 ( 2.639 0.905 -2.176) 3.538 28.798 ( 4.555 5.614 -7.779) 10.620 29.011 ( 1.721 -4.410 -2.647) 5.424 29.283 ( -9.990 -2.585 -12.758) 16.409 29.552 ( 0.175 5.189 10.832) 12.012 29.922 ( 1.742 0.026 -1.865) 2.552 30.098 ( -2.623 6.185 -2.982) 7.350 31.355 ( 9.690 -11.309 16.733) 22.400 ======================= Grid point 170 (85/156) ======================= q-point: (-0.55 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -0.666 22.836 -5.943) 23.606 2.997 ( -9.474 4.708 -19.449) 22.140 3.188 ( -0.918 9.918 1.449) 10.065 3.401 ( -4.270 -2.254 -4.803) 6.810 3.670 ( -6.256 2.804 -6.520) 9.461 3.791 ( 3.258 -7.690 -0.788) 8.389 4.141 ( 3.195 -0.674 -16.252) 16.577 4.339 ( 5.262 11.270 7.174) 14.359 4.980 ( 0.215 -5.844 10.505) 12.023 4.982 ( -2.599 4.829 -6.473) 8.484 5.104 ( 5.488 -3.617 1.753) 6.802 5.336 ( -0.219 0.050 6.946) 6.950 5.428 ( 4.080 3.635 9.765) 11.190 5.560 ( -2.877 3.935 -5.107) 7.060 5.847 ( -0.019 -8.699 0.185) 8.701 5.938 ( -7.090 -0.612 -3.481) 7.922 5.989 ( -2.486 -2.755 -2.353) 4.394 6.082 ( 6.198 3.488 0.856) 7.163 6.383 ( 0.600 2.897 -0.678) 3.035 6.477 ( -10.284 -5.989 -2.596) 12.181 7.001 ( 1.628 1.706 6.614) 7.022 7.156 ( 2.204 -2.012 -0.713) 3.069 7.306 ( 2.687 -1.193 8.834) 9.311 7.405 ( 1.717 -3.274 4.939) 6.170 8.329 ( 7.211 0.073 2.926) 7.782 8.355 ( -2.678 2.669 -4.189) 5.643 8.455 ( -4.679 2.708 -1.609) 5.641 8.703 ( 8.604 -7.055 13.692) 17.643 8.917 ( -2.148 0.986 0.251) 2.377 9.126 ( -0.331 0.842 3.083) 3.213 9.822 ( 3.139 1.202 -11.393) 11.879 9.868 ( -5.665 1.284 -7.361) 9.376 10.514 ( 2.008 1.244 4.293) 4.900 10.718 ( -0.909 -2.949 4.031) 5.077 10.928 ( 0.035 -0.596 0.266) 0.654 11.404 ( 2.000 1.872 -3.155) 4.178 11.837 ( -5.426 -1.427 -0.410) 5.626 12.035 ( 2.609 -5.624 9.792) 11.590 12.567 ( -3.380 -2.256 -4.385) 5.978 12.696 ( -6.717 -1.013 8.467) 10.855 12.967 ( 0.878 4.206 -1.545) 4.566 13.773 ( 5.809 -4.751 -1.996) 7.765 14.212 ( -3.709 3.676 -12.535) 13.579 14.419 ( -8.952 0.337 -11.299) 14.420 14.764 ( 1.619 -6.432 -2.370) 7.043 14.831 ( -0.016 -6.856 -14.827) 16.335 15.404 ( 7.588 4.122 -5.923) 10.472 15.720 ( -9.867 2.627 -10.462) 14.619 15.980 ( -2.423 18.468 -0.836) 18.645 17.427 ( -0.036 -7.629 9.576) 12.244 17.997 ( 2.362 1.602 12.523) 12.844 18.194 ( 3.026 -2.576 15.585) 16.084 24.815 ( -1.443 0.109 -3.670) 3.945 24.985 ( -4.634 -2.518 -0.951) 5.360 26.856 ( 1.203 -1.746 -0.405) 2.158 27.063 ( 0.583 -3.804 3.989) 5.542 28.249 ( 1.909 3.888 -1.023) 4.451 28.495 ( -1.267 0.741 -1.510) 2.106 28.546 ( 0.885 4.220 1.604) 4.601 28.825 ( 3.782 4.226 -8.879) 10.536 28.990 ( -3.440 -4.498 -4.464) 7.211 29.075 ( -4.139 0.659 -6.590) 7.810 29.639 ( 2.970 3.864 7.868) 9.254 29.912 ( -0.769 2.459 -2.049) 3.292 30.054 ( -0.068 5.322 -3.407) 6.319 31.616 ( 7.684 -13.495 16.009) 22.304 ======================= Grid point 171 (86/156) ======================= q-point: (-0.45 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 11.443 13.866 -8.673) 19.960 2.581 ( -18.541 7.886 -22.055) 29.873 3.101 ( -9.521 10.385 5.489) 15.121 3.281 ( -6.526 0.471 -2.058) 6.859 3.468 ( -11.347 -1.971 -3.294) 11.979 3.911 ( 9.604 -5.202 -3.040) 11.338 4.145 ( 4.148 2.725 -6.136) 7.892 4.497 ( 7.033 5.230 0.943) 8.815 4.903 ( -2.250 7.445 -2.165) 8.073 5.050 ( 1.355 -2.211 9.694) 10.035 5.211 ( 5.420 0.090 -2.922) 6.158 5.340 ( -1.165 -0.533 0.445) 1.356 5.431 ( -2.135 2.797 -9.020) 9.682 5.641 ( 6.513 -4.262 9.662) 12.407 5.750 ( -7.033 -3.036 1.906) 7.894 5.888 ( -1.788 -0.802 -1.166) 2.280 5.947 ( 1.299 -2.643 0.540) 2.993 6.184 ( -0.548 -1.774 2.539) 3.146 6.287 ( 0.985 0.947 -6.230) 6.378 6.440 ( 1.916 5.731 2.003) 6.366 7.027 ( -1.974 -5.231 1.210) 5.720 7.218 ( 1.887 4.630 6.436) 8.150 7.400 ( 1.817 -0.709 7.522) 7.771 7.437 ( -2.483 -2.930 6.544) 7.588 8.144 ( -11.711 5.051 -9.001) 15.610 8.410 ( -0.290 -0.990 9.981) 10.034 8.521 ( 10.160 0.171 -6.970) 12.322 8.882 ( 2.108 -10.680 6.890) 12.883 8.972 ( 7.594 1.670 0.272) 7.780 9.217 ( 6.423 1.146 10.218) 12.123 9.659 ( -9.799 0.800 -12.521) 15.920 9.809 ( 3.513 -1.576 -10.645) 11.320 10.594 ( 3.039 1.018 3.226) 4.547 10.742 ( 1.027 -3.852 5.416) 6.725 10.974 ( 2.512 1.234 5.452) 6.128 11.339 ( -6.853 5.268 -3.498) 9.325 11.841 ( 6.271 -2.516 -0.851) 6.810 12.142 ( 2.137 -7.138 9.299) 11.915 12.467 ( -3.799 -4.850 -6.654) 9.068 12.622 ( -5.603 -5.932 4.606) 9.370 12.976 ( 0.133 11.647 1.603) 11.758 13.818 ( -0.198 -4.748 -0.564) 4.785 14.036 ( -3.988 4.685 -17.253) 18.317 14.240 ( -4.478 -1.010 -6.824) 8.225 14.724 ( 1.138 -1.276 -14.352) 14.453 14.804 ( -0.147 -6.877 0.794) 6.924 15.434 ( -11.059 2.003 -11.784) 16.284 15.542 ( 8.353 -1.368 -2.424) 8.804 15.962 ( -0.344 21.245 0.654) 21.258 17.489 ( 0.779 -7.472 7.722) 10.773 18.121 ( 3.219 1.511 10.326) 10.921 18.357 ( 4.813 -3.086 13.152) 14.341 24.767 ( -1.682 0.370 -2.914) 3.385 24.935 ( -0.350 -2.157 -0.602) 2.266 26.860 ( -0.533 -1.564 -0.167) 1.660 27.091 ( 0.005 -4.115 3.260) 5.250 28.273 ( 1.441 2.832 -1.677) 3.593 28.435 ( -3.827 1.810 -1.810) 4.604 28.553 ( -1.817 5.112 3.111) 6.254 28.805 ( 0.132 0.658 -9.851) 9.874 28.863 ( -4.183 0.268 -5.295) 6.753 29.034 ( -0.555 0.072 -0.283) 0.627 29.741 ( 3.431 0.187 3.550) 4.940 29.900 ( 1.270 2.656 -1.492) 3.300 30.056 ( 2.713 8.496 -2.017) 9.144 31.830 ( 6.099 -15.098 12.328) 20.424 ======================= Grid point 172 (87/156) ======================= q-point: (-0.36 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -22.841 7.714 -8.310) 25.500 2.556 ( 16.766 1.155 -4.579) 17.419 2.924 ( -13.655 2.615 5.855) 15.086 3.146 ( -7.335 11.198 2.770) 13.670 3.279 ( -5.326 -8.547 -3.535) 10.673 4.016 ( -0.104 0.471 -3.538) 3.570 4.188 ( 3.614 1.061 0.256) 3.776 4.495 ( -7.580 5.547 -4.527) 10.427 4.854 ( -2.219 6.859 -0.821) 7.256 5.130 ( 0.679 0.624 5.270) 5.351 5.251 ( 1.058 0.143 -5.963) 6.058 5.289 ( -1.234 -3.825 4.023) 5.687 5.512 ( 17.349 10.683 -7.338) 21.655 5.657 ( -4.107 -0.144 3.342) 5.297 5.806 ( 6.936 -6.488 -0.589) 9.516 5.850 ( 0.479 -0.599 0.711) 1.046 6.024 ( 3.112 0.693 6.502) 7.242 6.139 ( -1.147 -5.574 -1.889) 5.996 6.370 ( 7.698 1.688 -3.245) 8.523 6.522 ( 4.481 8.030 5.492) 10.710 6.924 ( -9.316 -6.610 -2.375) 11.667 7.262 ( -3.202 4.642 8.581) 10.268 7.381 ( -3.549 -2.484 1.604) 4.619 7.484 ( 0.448 1.535 5.467) 5.696 7.904 ( -7.596 8.991 -8.133) 14.307 8.454 ( -3.198 -5.450 8.658) 10.718 8.666 ( 10.126 -2.307 -4.150) 11.184 8.935 ( 2.527 -1.367 3.141) 4.256 9.173 ( 14.483 0.475 -1.381) 14.557 9.375 ( -4.098 -2.877 -17.832) 18.521 9.435 ( 2.509 -4.436 12.100) 13.129 9.829 ( 4.738 -4.386 -7.044) 9.555 10.631 ( 0.006 0.856 0.946) 1.276 10.824 ( 3.065 -6.202 4.353) 8.174 11.068 ( 3.607 2.025 5.123) 6.585 11.174 ( -7.284 8.207 -2.947) 11.362 11.988 ( 8.219 -4.632 0.891) 9.477 12.216 ( 0.019 -4.108 7.541) 8.587 12.355 ( -3.127 -6.371 -8.119) 10.784 12.577 ( -2.526 -10.472 6.356) 12.508 12.983 ( -1.209 14.896 2.368) 15.132 13.771 ( -3.833 -1.299 1.801) 4.429 13.889 ( -2.815 -0.398 -12.042) 12.373 14.154 ( -1.825 -1.131 -3.241) 3.888 14.663 ( 0.903 0.311 -10.526) 10.569 14.790 ( -1.934 -6.603 0.524) 6.900 15.172 ( -9.063 3.678 -10.532) 14.373 15.674 ( 5.392 -0.979 -0.315) 5.490 15.992 ( 4.622 22.254 -0.068) 22.729 17.544 ( 0.215 -7.620 5.823) 9.593 18.234 ( 3.413 1.995 6.184) 7.340 18.515 ( 4.809 -3.144 7.833) 9.714 24.725 ( -1.085 1.026 -1.599) 2.188 24.956 ( 2.179 -2.460 1.061) 3.453 26.834 ( -2.054 -0.764 -0.446) 2.236 27.100 ( -1.225 -4.634 2.815) 5.558 28.272 ( -0.317 2.181 -2.761) 3.533 28.347 ( -4.311 3.708 -1.110) 5.794 28.518 ( -4.114 5.617 2.708) 7.471 28.740 ( -0.854 -0.570 -5.250) 5.349 28.776 ( -2.533 1.196 -4.681) 5.455 29.029 ( -0.521 -0.145 1.212) 1.327 29.789 ( 1.154 0.168 0.488) 1.264 29.926 ( 1.546 -2.184 -0.526) 2.727 30.152 ( 9.139 12.571 -1.932) 15.661 31.985 ( 4.401 -16.691 6.179) 18.334 ======================= Grid point 173 (88/156) ======================= q-point: (-0.27 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -18.289 12.331 16.964) 27.826 2.454 ( -27.469 -5.806 13.183) 31.017 2.957 ( 6.865 -0.080 -3.370) 7.648 3.167 ( 13.862 5.290 0.166) 14.838 3.226 ( 0.039 -10.357 -0.112) 10.358 3.774 ( -27.332 11.814 10.096) 31.441 4.183 ( -7.330 2.878 -10.890) 13.439 4.345 ( 2.911 5.477 -5.318) 8.170 4.830 ( -0.645 4.677 0.801) 4.789 5.113 ( -3.043 2.317 3.476) 5.168 5.267 ( 3.707 -3.274 -3.933) 6.319 5.353 ( 2.931 -6.497 7.162) 10.104 5.635 ( 0.330 0.577 0.890) 1.111 5.749 ( 7.893 2.471 -7.095) 10.897 5.912 ( 3.818 -3.406 -1.188) 5.253 6.004 ( 17.656 7.690 -0.429) 19.263 6.063 ( 0.233 0.757 -3.475) 3.564 6.179 ( 4.819 -0.091 7.178) 8.646 6.459 ( -3.440 0.982 5.016) 6.161 6.662 ( 9.294 4.666 -1.367) 10.489 6.736 ( -3.626 -6.058 -0.081) 7.060 7.200 ( -4.698 -1.302 -3.021) 5.735 7.341 ( -1.937 2.135 -1.563) 3.279 7.446 ( -6.091 4.123 -1.240) 7.459 7.820 ( 1.187 9.794 0.547) 9.881 8.371 ( -10.509 -10.081 6.482) 15.940 8.819 ( 6.560 -0.466 0.586) 6.602 8.998 ( 0.434 5.645 0.599) 5.693 9.169 ( -3.186 2.223 -11.328) 11.976 9.460 ( 19.176 -1.045 -7.114) 20.480 9.629 ( 13.363 -18.022 -3.290) 22.675 9.880 ( 2.661 -4.694 1.793) 5.685 10.629 ( -0.436 0.958 0.462) 1.149 10.836 ( -2.544 -5.481 -4.366) 7.455 11.052 ( -2.718 8.272 -3.267) 9.300 11.182 ( 4.033 0.871 3.967) 5.724 12.108 ( 2.912 -5.583 4.899) 7.978 12.248 ( -1.293 0.628 4.453) 4.680 12.269 ( -1.637 -8.789 -2.162) 9.198 12.612 ( 0.992 -12.374 7.971) 14.753 12.944 ( -3.967 13.505 0.017) 14.076 13.755 ( -5.564 -3.712 -0.859) 6.743 13.779 ( 0.933 2.425 7.813) 8.234 14.137 ( 0.642 -1.894 2.637) 3.310 14.628 ( 0.687 0.066 -5.252) 5.297 14.744 ( -2.888 -5.996 -0.923) 6.719 15.002 ( -2.401 5.537 -8.848) 10.710 15.711 ( -0.593 4.447 0.089) 4.487 16.152 ( 12.836 20.248 -0.234) 23.975 17.560 ( -2.094 -7.585 4.301) 8.968 18.313 ( 2.632 2.646 0.844) 3.827 18.606 ( 1.795 -2.504 0.418) 3.109 24.719 ( 0.926 1.610 1.117) 2.167 25.018 ( 2.819 -2.930 3.790) 5.558 26.784 ( -2.961 0.164 -0.883) 3.094 27.075 ( -3.530 -5.097 2.308) 6.616 28.213 ( -3.600 2.063 -2.776) 4.992 28.293 ( -1.159 5.336 -0.865) 5.529 28.440 ( -5.314 5.070 0.513) 7.362 28.667 ( -2.929 2.718 -6.690) 7.792 28.772 ( 1.787 -1.194 4.914) 5.363 29.028 ( -0.447 -0.448 1.613) 1.732 29.809 ( 0.917 0.906 0.028) 1.289 29.956 ( 2.178 -2.512 1.128) 3.510 30.322 ( 11.125 10.484 -5.193) 16.145 32.045 ( 0.271 -18.842 -3.455) 19.158 ======================= Grid point 174 (89/156) ======================= q-point: (-0.18 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -8.012 12.667 38.350) 41.175 2.003 ( -31.488 -4.677 19.057) 37.101 2.956 ( -5.592 12.719 2.113) 14.054 3.230 ( -6.570 -5.619 7.578) 11.496 3.311 ( -19.422 20.264 12.651) 30.788 3.535 ( 19.463 -13.500 -4.238) 24.063 3.934 ( -8.823 5.435 -11.924) 15.798 4.394 ( 3.793 0.648 -4.996) 6.307 4.841 ( 0.947 2.721 2.153) 3.597 5.128 ( 1.741 -2.815 5.430) 6.360 5.306 ( 2.573 -3.008 -3.199) 5.090 5.415 ( -1.204 -8.263 3.645) 9.111 5.665 ( 3.802 -0.620 -3.305) 5.076 5.813 ( 3.150 -1.079 -2.073) 3.922 5.918 ( -1.762 -0.107 -3.435) 3.862 6.016 ( -4.789 -1.701 -4.996) 7.127 6.134 ( 0.558 2.369 6.388) 6.836 6.308 ( -6.807 8.737 0.003) 11.075 6.510 ( 20.060 7.248 3.424) 21.602 6.752 ( 4.882 1.571 4.518) 6.835 6.944 ( 14.082 -7.987 1.260) 16.238 7.079 ( -1.994 -0.603 -13.379) 13.540 7.258 ( -1.431 4.037 -10.222) 11.083 7.335 ( -4.495 3.647 0.324) 5.798 7.893 ( 2.848 3.071 4.610) 6.228 8.203 ( -9.742 -5.993 3.954) 12.102 8.814 ( -8.322 9.022 -1.427) 12.357 8.994 ( -0.235 -5.703 5.803) 8.140 9.070 ( -2.538 -1.305 -15.821) 16.076 9.704 ( 12.898 -8.951 -16.703) 22.923 9.841 ( 12.092 -1.186 -10.355) 15.964 9.995 ( 7.773 -7.013 8.830) 13.695 10.607 ( -1.432 1.714 -5.424) 5.866 10.716 ( -2.842 -1.202 -4.743) 5.659 11.043 ( 3.679 6.421 -1.963) 7.657 11.258 ( 2.364 0.805 3.086) 3.969 12.152 ( -2.694 -8.231 -2.073) 8.905 12.184 ( -4.283 -7.553 5.337) 10.192 12.308 ( -0.543 1.227 15.383) 15.441 12.688 ( 1.836 -8.210 5.813) 10.226 12.872 ( -1.406 9.413 -2.827) 9.928 13.592 ( -10.585 -1.024 -1.543) 10.746 14.021 ( 12.786 2.000 24.000) 27.267 14.233 ( 5.441 -7.809 12.941) 16.064 14.617 ( -0.910 -1.969 -1.026) 2.399 14.699 ( 0.458 -5.014 0.454) 5.056 14.986 ( 5.817 5.796 -6.649) 10.566 15.676 ( -2.758 4.643 -0.338) 5.411 16.433 ( 18.196 23.221 -0.363) 29.503 17.522 ( -4.514 -6.668 3.611) 8.825 18.329 ( 0.244 3.145 -4.984) 5.898 18.571 ( -3.410 -0.899 -6.589) 7.473 24.790 ( 5.327 0.930 5.451) 7.678 25.102 ( 2.616 -3.533 7.507) 8.699 26.723 ( -2.817 0.482 -1.051) 3.045 26.998 ( -6.243 -4.944 1.229) 8.058 28.141 ( -2.111 1.112 -2.253) 3.282 28.278 ( -0.045 7.309 -0.756) 7.348 28.348 ( -4.537 3.683 -0.580) 5.872 28.577 ( -2.763 4.923 -4.570) 7.263 28.870 ( 3.586 -0.567 9.525) 10.193 29.038 ( 0.503 -0.191 2.150) 2.216 29.823 ( 0.836 1.066 -0.276) 1.383 30.031 ( 4.815 -2.911 2.731) 6.254 30.462 ( 8.756 7.769 -9.345) 14.979 31.891 ( -12.524 -20.159 -16.999) 29.193 ======================= Grid point 175 (90/156) ======================= q-point: (-0.09 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -22.789 7.517 22.955) 33.207 1.771 ( -4.743 9.245 40.077) 41.402 2.748 ( -20.784 26.676 28.550) 44.257 3.125 ( -0.915 13.832 0.205) 13.864 3.290 ( 0.247 -6.684 3.280) 7.450 3.647 ( -1.678 0.861 -4.902) 5.252 3.934 ( 12.449 -10.879 -2.897) 16.785 4.405 ( 0.756 -3.987 -5.228) 6.618 4.884 ( 1.867 -0.175 2.725) 3.308 5.227 ( 4.529 -6.707 5.290) 9.668 5.270 ( -5.149 -6.672 -8.830) 12.206 5.357 ( -3.396 -6.725 0.950) 7.594 5.717 ( 0.727 -1.851 0.245) 2.004 5.760 ( -3.095 4.848 -14.873) 15.946 5.846 ( -3.777 1.028 1.822) 4.317 5.946 ( 1.849 1.000 2.089) 2.964 6.182 ( -5.828 9.835 0.364) 11.438 6.261 ( 8.094 1.003 0.336) 8.163 6.791 ( 4.276 1.509 2.713) 5.284 6.874 ( 0.070 -0.657 -7.961) 7.989 6.927 ( 4.054 0.920 1.903) 4.572 7.136 ( 4.548 -1.276 -3.417) 5.830 7.278 ( 1.626 0.983 -2.773) 3.361 7.349 ( 14.221 -5.706 -6.003) 16.457 7.888 ( -5.520 -10.203 4.088) 12.300 8.178 ( 5.315 8.571 1.174) 10.153 8.490 ( -23.761 -4.353 -10.920) 26.511 8.878 ( -4.467 9.256 -15.435) 18.544 9.021 ( -3.779 -4.485 10.336) 11.884 9.659 ( -6.408 4.238 -8.264) 11.284 9.939 ( 2.367 -5.542 -1.812) 6.293 10.169 ( 11.156 1.345 -7.927) 13.752 10.610 ( 4.413 1.697 -3.373) 5.807 10.747 ( 6.634 -0.431 0.333) 6.657 11.078 ( -0.074 -2.107 -4.705) 5.156 11.382 ( 10.396 6.894 5.062) 13.462 12.020 ( -7.570 -11.474 -4.630) 14.505 12.106 ( -9.796 -2.638 10.946) 14.925 12.452 ( 5.516 0.426 13.638) 14.717 12.732 ( 0.714 -1.457 2.327) 2.837 12.891 ( 3.846 4.393 -0.998) 5.924 13.359 ( -14.607 4.457 1.178) 15.317 14.319 ( 5.106 -4.892 12.344) 14.225 14.500 ( 3.743 -10.132 8.185) 13.553 14.579 ( 4.444 -1.092 1.164) 4.722 14.913 ( 16.735 -13.052 21.012) 29.865 15.113 ( 11.887 2.310 -4.989) 13.097 15.629 ( -1.514 -0.501 0.981) 1.873 16.773 ( 18.584 24.359 -4.168) 30.921 17.471 ( -2.680 -2.441 4.605) 5.861 18.252 ( -3.493 2.957 -9.873) 10.882 18.428 ( -5.718 0.869 -8.545) 10.319 24.982 ( 9.685 -2.582 6.182) 11.777 25.235 ( 7.752 -7.183 12.458) 16.337 26.678 ( -1.357 -0.081 -0.840) 1.598 26.871 ( -7.739 -3.917 -0.353) 8.681 28.117 ( 0.723 -1.106 -1.926) 2.336 28.274 ( -1.097 1.838 -1.504) 2.616 28.287 ( -0.220 9.422 -0.054) 9.425 28.519 ( -0.754 9.480 -3.145) 10.016 29.008 ( 3.733 0.072 12.680) 13.218 29.081 ( 2.330 0.823 3.519) 4.300 29.837 ( 0.999 1.143 -0.937) 1.784 30.148 ( 5.588 -4.288 1.493) 7.201 30.508 ( 3.906 5.358 -12.907) 14.510 31.321 ( -35.765 -12.645 -22.673) 44.193 ======================= Grid point 176 (91/156) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 6.056 28.969 15.054) 33.204 2.311 ( 1.191 20.704 24.758) 32.296 3.015 ( 1.353 -11.721 8.537) 14.564 3.225 ( -5.804 8.540 2.936) 10.735 3.326 ( 1.246 8.381 -0.024) 8.473 3.574 ( 3.501 -19.030 13.777) 23.753 3.976 ( -2.610 10.266 6.272) 12.310 4.199 ( -0.505 -4.857 -9.062) 10.294 4.807 ( -1.226 -4.665 -6.239) 7.886 5.005 ( -2.779 -3.826 -6.140) 7.750 5.235 ( 2.204 -2.103 1.796) 3.537 5.287 ( 5.071 -1.964 3.906) 6.695 5.649 ( -4.823 -2.169 1.085) 5.399 5.675 ( -5.036 1.116 -3.229) 6.086 5.947 ( 1.292 4.772 3.466) 6.038 6.123 ( 2.262 6.479 3.410) 7.663 6.222 ( -2.003 6.956 -2.974) 7.826 6.430 ( 3.706 4.040 -2.033) 5.847 6.576 ( -3.827 -6.989 -6.560) 10.321 6.859 ( -8.046 -14.167 -0.896) 16.317 6.919 ( 0.466 3.465 -1.639) 3.861 7.105 ( 7.881 -2.742 -0.710) 8.374 7.303 ( 0.071 -4.054 2.898) 4.984 7.326 ( 5.918 -2.731 -5.697) 8.656 7.816 ( -0.603 -2.280 -6.839) 7.234 7.894 ( -12.000 -2.853 -12.257) 17.389 8.527 ( 5.091 8.379 3.337) 10.356 8.812 ( -6.390 -4.367 7.008) 10.441 9.115 ( 2.259 11.933 -11.437) 16.683 9.508 ( -2.945 -4.539 -8.490) 10.067 9.988 ( -1.924 6.565 7.502) 10.153 10.247 ( 1.789 -2.802 1.563) 3.674 10.715 ( 2.319 2.922 -5.503) 6.648 10.801 ( 3.678 -3.115 -3.832) 6.158 10.987 ( -5.353 3.531 -9.023) 11.069 11.397 ( -4.406 -15.558 -8.640) 18.334 11.923 ( 8.762 4.740 6.720) 12.017 12.039 ( 1.540 -1.399 10.167) 10.378 12.668 ( 4.692 2.261 9.834) 11.128 12.740 ( 1.119 -0.520 7.318) 7.421 13.084 ( -0.104 8.817 -2.258) 9.102 13.265 ( -6.748 4.220 -2.099) 8.231 14.269 ( 1.249 -7.276 8.609) 11.341 14.310 ( -4.744 -5.722 5.051) 8.986 14.695 ( 5.035 -1.149 2.795) 5.872 14.960 ( 10.517 -14.129 4.897) 18.282 15.411 ( 7.176 5.277 4.065) 9.791 15.551 ( 0.890 -2.757 4.115) 5.032 17.195 ( 2.262 9.460 -2.285) 9.991 17.515 ( 2.803 -3.588 3.562) 5.781 18.161 ( -7.510 4.792 -11.576) 14.607 18.305 ( -4.988 -0.806 -8.704) 10.064 25.057 ( 1.434 -1.350 4.815) 5.202 25.221 ( 4.928 -11.527 9.440) 15.692 26.651 ( -0.322 -0.262 -1.074) 1.152 26.694 ( -2.654 -2.071 -1.663) 3.755 28.125 ( 2.472 0.957 -2.371) 3.557 28.212 ( 0.954 -2.378 -1.621) 3.032 28.519 ( -0.748 9.178 2.306) 9.492 28.715 ( 2.929 2.404 -0.425) 3.813 29.171 ( 3.424 1.975 10.557) 11.273 29.218 ( 5.491 1.491 7.850) 9.695 29.867 ( -2.409 3.829 -5.283) 6.956 30.058 ( -3.011 -4.797 -4.339) 7.134 30.514 ( -5.087 4.101 -12.818) 14.388 30.630 ( -10.781 -1.054 -7.959) 13.442 ======================= Grid point 177 (92/156) ======================= q-point: ( 0.09 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 4.314 27.078 15.388) 31.443 2.497 ( 7.207 19.347 17.500) 27.065 3.110 ( -1.278 1.253 -9.260) 9.431 3.143 ( 7.920 -6.553 6.519) 12.172 3.456 ( 3.792 0.132 12.091) 12.672 3.698 ( 0.628 -19.794 12.385) 23.358 4.006 ( 2.803 10.930 6.663) 13.104 4.211 ( 7.221 1.331 -7.364) 10.400 4.713 ( -2.018 -2.681 -11.273) 11.762 4.968 ( 0.431 -6.696 -2.802) 7.272 5.255 ( 0.422 1.521 0.226) 1.594 5.397 ( -1.108 1.714 8.675) 8.912 5.499 ( -5.690 1.877 -1.939) 6.297 5.652 ( 1.718 -4.244 0.247) 4.585 5.976 ( 0.363 3.377 0.932) 3.522 6.034 ( -8.644 6.933 2.748) 11.417 6.311 ( -4.441 1.674 -6.973) 8.435 6.350 ( 6.448 7.487 0.397) 9.888 6.614 ( 6.465 -0.215 -4.603) 7.939 6.704 ( -7.464 -15.168 -2.667) 17.114 6.938 ( 1.921 3.285 2.700) 4.666 7.159 ( -2.429 -6.271 -2.107) 7.047 7.266 ( -4.768 1.388 -0.926) 5.052 7.367 ( 0.751 -6.503 -6.438) 9.181 7.641 ( -0.368 0.695 -4.049) 4.125 7.894 ( 5.382 -10.134 -5.600) 12.768 8.625 ( 2.734 5.680 1.504) 6.481 8.734 ( -4.348 0.679 5.712) 7.211 9.061 ( -1.774 11.528 -6.900) 13.552 9.423 ( -1.077 -3.923 -6.665) 7.809 9.977 ( -3.421 5.757 4.969) 8.339 10.253 ( -2.411 -2.573 2.350) 4.238 10.667 ( -3.481 3.213 -3.747) 6.039 10.779 ( -4.137 -2.408 -5.522) 7.308 10.881 ( -0.034 -1.431 -2.288) 2.699 11.246 ( -6.007 -15.146 -5.021) 17.050 12.099 ( 5.603 7.684 3.486) 10.128 12.218 ( 10.990 -1.608 7.995) 13.685 12.693 ( -5.893 3.278 4.717) 8.229 12.838 ( 2.675 -1.684 4.879) 5.813 12.968 ( -11.905 8.399 6.390) 15.910 13.197 ( 2.827 2.482 -8.882) 9.646 14.267 ( -1.210 -4.062 4.588) 6.246 14.366 ( 2.822 -6.940 6.417) 9.864 14.773 ( 1.716 -2.510 1.748) 3.507 15.072 ( 1.879 -12.554 -4.409) 13.438 15.547 ( 6.840 3.090 0.293) 7.512 15.678 ( 7.097 -2.891 8.920) 11.759 17.173 ( -3.189 12.599 -5.859) 14.256 17.494 ( -6.547 -0.501 3.687) 7.531 17.974 ( -5.982 2.620 -6.191) 8.999 18.149 ( -6.996 -3.287 -5.802) 9.665 25.071 ( -2.234 -0.229 3.059) 3.795 25.318 ( -0.989 -15.143 6.411) 16.474 26.669 ( 3.003 -1.480 0.005) 3.348 26.679 ( 1.930 -1.104 -1.970) 2.970 28.184 ( 5.796 1.189 -2.980) 6.625 28.250 ( 4.072 -1.242 -1.777) 4.613 28.517 ( -0.496 8.592 1.359) 8.713 28.771 ( 3.135 -1.434 -0.036) 3.448 29.237 ( -4.953 6.774 7.632) 11.343 29.361 ( 3.745 2.261 9.867) 10.794 29.706 ( -5.308 5.695 -4.943) 9.222 29.945 ( -5.028 -4.438 -8.488) 10.818 30.383 ( -1.077 5.158 -7.458) 9.131 30.568 ( 3.709 -3.619 -2.253) 5.650 ======================= Grid point 178 (93/156) ======================= q-point: ( 0.18 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -0.589 16.501 14.219) 21.790 2.802 ( 14.232 16.030 11.713) 24.427 3.089 ( 5.001 -7.801 -8.063) 12.283 3.354 ( 11.150 -6.202 1.321) 12.827 3.548 ( 0.053 3.395 7.274) 8.027 3.774 ( 2.613 -10.924 6.770) 13.115 4.187 ( 10.165 12.170 9.585) 18.529 4.262 ( 3.256 3.444 -15.941) 16.630 4.662 ( 2.147 -0.627 -1.677) 2.795 4.951 ( 0.763 -10.348 -3.344) 10.902 5.248 ( -6.011 6.603 7.469) 11.641 5.388 ( -2.138 2.339 1.880) 3.684 5.413 ( -3.210 1.197 6.150) 7.040 5.723 ( 2.139 -8.114 0.861) 8.435 5.886 ( -5.671 10.668 -2.869) 12.417 5.996 ( 1.528 3.925 -0.990) 4.327 6.169 ( -7.041 0.420 2.035) 7.342 6.463 ( 3.499 5.128 -3.875) 7.318 6.550 ( -7.650 -8.077 -0.436) 11.133 6.674 ( 3.309 -4.330 -8.755) 10.312 7.004 ( -0.956 -0.809 1.133) 1.689 7.041 ( -2.143 -4.213 -2.086) 5.167 7.172 ( -4.044 0.807 -0.691) 4.181 7.270 ( -4.599 -2.979 -7.753) 9.494 7.745 ( 8.515 -0.344 4.824) 9.793 7.959 ( 4.557 -9.032 -1.485) 10.225 8.614 ( -3.303 7.458 3.662) 8.942 8.775 ( 3.258 -0.917 2.281) 4.081 8.979 ( -3.120 9.686 -3.146) 10.651 9.358 ( -1.989 -8.048 -8.410) 11.809 9.937 ( -3.387 6.023 3.479) 7.736 10.192 ( -4.357 0.416 -0.659) 4.426 10.592 ( -2.305 1.140 -1.004) 2.760 10.660 ( -4.922 -1.615 -2.923) 5.948 10.901 ( 2.215 -4.722 -1.145) 5.340 11.151 ( -2.224 -11.965 -0.408) 12.177 12.146 ( -1.973 11.000 -0.291) 11.179 12.436 ( -0.402 -5.566 5.228) 7.647 12.573 ( -2.491 7.521 5.863) 9.857 12.800 ( -7.604 -2.992 10.971) 13.680 12.903 ( -0.063 4.239 -2.159) 4.758 13.225 ( 6.650 -3.652 -9.423) 12.097 14.320 ( 2.834 -1.599 5.995) 6.822 14.444 ( 2.590 -3.477 2.381) 4.947 14.777 ( -1.093 -4.445 -1.868) 4.944 15.013 ( -2.088 -10.317 -10.958) 15.194 15.660 ( 5.274 5.424 -1.246) 7.667 15.860 ( 7.432 -1.286 4.513) 8.790 16.986 ( -11.545 14.823 -8.230) 20.512 17.362 ( -9.802 -2.859 1.926) 10.391 17.881 ( -3.085 2.171 2.340) 4.439 18.011 ( -5.866 -2.626 1.769) 6.666 25.026 ( -3.734 0.790 0.687) 3.878 25.267 ( -7.097 -11.889 3.446) 14.269 26.715 ( 3.370 -0.589 -2.085) 4.006 26.756 ( 5.246 -3.326 1.309) 6.348 28.279 ( 5.725 2.397 -3.001) 6.894 28.329 ( 6.104 0.033 -2.150) 6.471 28.525 ( 0.745 7.916 0.730) 7.984 28.821 ( 2.385 -4.901 0.108) 5.452 29.098 ( -8.441 13.655 -2.229) 16.207 29.466 ( 0.064 -0.205 10.352) 10.354 29.706 ( -0.129 -1.538 -0.665) 1.681 29.773 ( -2.430 -1.959 -8.358) 8.922 30.357 ( 0.143 7.091 -2.067) 7.388 30.671 ( 7.071 -7.518 2.296) 10.573 ======================= Grid point 179 (94/156) ======================= q-point: ( 0.27 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 3.274 11.200 10.403) 15.633 3.105 ( 13.376 9.285 4.418) 16.871 3.171 ( 6.434 -11.102 -2.566) 13.086 3.477 ( 3.526 -7.845 -6.292) 10.657 3.592 ( 0.716 11.767 4.270) 12.538 3.915 ( 10.559 -2.165 -1.188) 10.844 4.150 ( -1.303 6.730 -17.286) 18.596 4.410 ( 5.948 8.643 7.776) 13.059 4.703 ( 1.079 -3.230 1.933) 3.915 4.996 ( 2.372 -7.485 3.753) 8.703 5.129 ( -8.975 7.753 8.174) 14.404 5.314 ( -4.003 1.369 1.381) 4.451 5.498 ( 1.953 -2.066 7.856) 8.354 5.634 ( -7.373 -1.413 -4.265) 8.634 5.879 ( 2.745 4.533 2.009) 5.667 6.024 ( 2.126 2.738 -4.697) 5.837 6.065 ( -4.627 4.002 0.292) 6.124 6.373 ( -10.478 0.365 1.499) 10.591 6.457 ( -4.575 1.795 -0.732) 4.968 6.589 ( -5.343 -12.706 -8.442) 16.164 6.943 ( 2.023 -3.132 -5.199) 6.398 7.063 ( -0.392 -3.479 -2.205) 4.138 7.144 ( -0.691 1.694 3.964) 4.366 7.200 ( 2.403 -0.263 -2.251) 3.304 7.949 ( 8.926 -1.348 6.780) 11.290 8.065 ( 6.735 -5.906 5.539) 10.532 8.582 ( -2.175 8.424 1.378) 8.809 8.797 ( -3.441 2.358 2.013) 4.632 8.949 ( 2.089 1.980 -1.781) 3.385 9.227 ( -6.492 -8.855 -7.691) 13.406 9.911 ( -1.101 5.992 1.255) 6.220 10.113 ( -2.285 2.746 -4.726) 5.925 10.558 ( -2.163 1.013 -1.905) 3.055 10.592 ( -0.884 -3.943 1.957) 4.490 10.928 ( 1.532 -3.145 -1.854) 3.960 11.162 ( 1.620 -9.620 4.988) 10.957 12.047 ( -6.693 8.047 -1.894) 10.637 12.230 ( -14.861 -0.508 1.377) 14.933 12.698 ( -0.641 0.493 9.240) 9.275 12.786 ( -0.816 -5.303 3.445) 6.376 12.890 ( 3.313 8.539 -0.869) 9.200 13.322 ( 9.536 -8.878 -6.396) 14.515 14.402 ( 1.054 0.682 3.820) 4.021 14.500 ( 3.731 -0.628 0.247) 3.792 14.717 ( -2.590 -6.199 -6.169) 9.121 14.886 ( -2.320 -9.198 -14.921) 17.681 15.692 ( 0.496 10.417 -6.921) 12.516 15.973 ( 4.189 0.572 -3.663) 5.594 16.709 ( -13.645 15.685 -4.242) 21.218 17.206 ( -7.512 -8.356 3.732) 11.840 17.879 ( -1.324 2.252 8.550) 8.940 17.972 ( -2.551 -1.690 8.999) 9.505 24.954 ( -3.743 1.219 -1.339) 4.158 25.140 ( -7.915 -7.655 1.237) 11.080 26.765 ( 3.242 -0.053 -1.733) 3.676 26.854 ( 3.976 -4.324 2.251) 6.291 28.335 ( 2.656 5.005 -2.519) 6.201 28.432 ( 6.157 -0.365 -2.881) 6.808 28.554 ( 1.913 7.138 0.942) 7.449 28.862 ( 2.182 -6.311 -0.054) 6.678 28.978 ( -1.910 11.278 -5.447) 12.669 29.405 ( -8.486 -8.273 -5.923) 13.249 29.641 ( -0.065 6.899 3.502) 7.737 29.838 ( 3.783 -2.186 2.053) 4.827 30.337 ( -1.394 9.723 -0.686) 9.847 30.840 ( 7.578 -12.827 8.576) 17.190 ======================= Grid point 180 (95/156) ======================= q-point: ( 0.36 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 6.407 15.308 4.921) 17.309 3.215 ( -0.933 -3.322 -2.589) 4.314 3.334 ( 9.850 -0.435 -3.013) 10.310 3.492 ( 4.937 -4.523 -10.097) 12.115 3.576 ( -2.872 16.249 2.472) 16.685 3.971 ( -4.184 4.626 -6.602) 9.083 4.122 ( 6.445 0.477 -13.860) 15.293 4.435 ( -5.072 -1.771 6.460) 8.402 4.775 ( 4.643 1.340 7.102) 8.590 4.983 ( -3.557 0.492 6.982) 7.851 5.146 ( 4.630 4.628 -3.001) 7.202 5.315 ( 1.820 1.367 8.157) 8.469 5.426 ( -9.443 -0.607 3.544) 10.104 5.585 ( -0.112 -9.174 1.498) 9.297 5.859 ( -6.558 4.642 -5.200) 9.570 6.000 ( -1.945 0.400 3.745) 4.239 6.049 ( 3.389 2.890 -7.550) 8.766 6.169 ( -9.396 5.747 -2.856) 11.378 6.392 ( -0.949 -0.457 1.409) 1.759 6.455 ( -6.316 -12.008 -1.042) 13.607 6.978 ( 2.219 -1.364 -1.506) 3.009 7.053 ( 2.706 -4.362 -2.814) 5.854 7.173 ( 0.668 1.221 6.899) 7.038 7.275 ( 3.995 -2.458 2.458) 5.296 8.146 ( 9.362 0.199 5.198) 10.709 8.268 ( 8.919 -5.148 9.541) 14.038 8.543 ( -2.166 7.355 -1.602) 7.832 8.703 ( -7.448 2.482 0.498) 7.867 8.972 ( -0.631 -1.027 -1.048) 1.597 9.090 ( -2.611 -4.545 -1.540) 5.463 9.902 ( 0.486 4.836 -4.292) 6.484 10.035 ( -2.592 2.073 -8.366) 9.000 10.517 ( -1.518 0.971 2.082) 2.753 10.615 ( 0.996 -4.431 2.379) 5.127 10.937 ( 0.523 1.573 0.339) 1.692 11.254 ( 4.428 -8.556 5.541) 11.114 11.927 ( -5.577 1.554 0.435) 5.806 11.994 ( -10.768 -1.431 -0.538) 10.876 12.656 ( -5.087 0.804 -1.675) 5.416 12.733 ( -4.791 -2.847 1.556) 5.786 13.028 ( 7.301 9.213 4.227) 12.492 13.474 ( 9.257 -10.719 -1.243) 14.217 14.381 ( -2.792 2.948 -3.706) 5.497 14.589 ( 4.803 -1.391 0.920) 5.084 14.601 ( -4.569 -5.208 -10.987) 12.989 14.769 ( -0.147 -7.166 -13.812) 15.561 15.604 ( -2.322 11.623 -12.172) 16.990 15.937 ( -3.757 -1.615 -11.615) 12.314 16.491 ( -8.018 19.793 1.657) 21.419 17.164 ( -2.121 -12.193 8.900) 15.244 17.933 ( 0.372 1.886 11.276) 11.438 18.019 ( 0.064 -2.320 12.887) 13.094 24.882 ( -2.811 1.159 -2.472) 3.919 25.014 ( -6.167 -4.853 -0.286) 7.853 26.807 ( 2.312 0.131 -1.077) 2.554 26.924 ( 2.146 -4.768 2.423) 5.762 28.351 ( 1.203 6.266 -2.728) 6.939 28.497 ( 3.007 -0.767 -3.094) 4.383 28.602 ( 2.268 5.970 1.445) 6.548 28.891 ( 1.324 -6.355 -2.591) 6.989 28.948 ( 1.512 7.489 -4.517) 8.876 29.207 ( -6.488 -4.380 -9.321) 12.172 29.684 ( 0.163 6.676 7.171) 9.799 29.890 ( 1.303 -2.874 -0.181) 3.161 30.308 ( -1.235 13.660 0.323) 13.719 31.039 ( 6.935 -18.162 12.337) 23.025 ======================= Grid point 181 (96/156) ======================= q-point: (-0.55 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -1.465 19.398 -2.621) 19.629 3.103 ( -7.344 0.340 -11.284) 13.468 3.377 ( 2.606 2.576 -5.350) 6.484 3.464 ( -9.711 18.149 -1.107) 20.613 3.625 ( 8.195 -6.421 -0.349) 10.417 3.780 ( -14.212 5.163 -1.665) 15.213 4.091 ( 5.589 -2.951 -11.393) 13.029 4.442 ( -0.458 -7.133 7.402) 10.290 4.916 ( 4.701 2.216 8.274) 9.771 5.044 ( 5.666 3.007 2.344) 6.829 5.160 ( 2.967 7.332 -8.374) 11.519 5.347 ( -1.942 0.882 4.887) 5.333 5.453 ( 5.394 -0.783 7.045) 8.907 5.566 ( -4.279 -4.904 -1.067) 6.596 5.693 ( -3.761 -3.585 -1.223) 5.338 5.877 ( -5.333 -6.134 -10.136) 12.992 6.019 ( -4.596 6.393 -3.888) 8.782 6.157 ( 4.387 3.139 3.851) 6.628 6.340 ( -5.921 -4.213 2.694) 7.750 6.424 ( 2.887 -1.675 0.010) 3.338 6.972 ( -1.134 -1.776 -0.731) 2.230 7.149 ( 6.549 -3.852 2.438) 7.980 7.249 ( 1.868 0.357 9.001) 9.200 7.358 ( 2.567 -1.678 4.868) 5.753 8.333 ( 5.502 1.102 6.161) 8.333 8.421 ( 1.980 1.384 -3.625) 4.356 8.503 ( -2.293 1.645 -1.187) 3.061 8.569 ( -3.286 -4.392 5.091) 7.484 8.954 ( 0.797 2.839 1.312) 3.227 9.111 ( 2.200 -2.469 4.080) 5.252 9.857 ( -0.728 2.069 -9.667) 9.913 9.897 ( -6.304 1.060 -10.501) 12.294 10.539 ( 1.586 1.171 4.365) 4.790 10.644 ( 0.349 -3.832 2.821) 4.772 10.969 ( 1.838 5.444 3.962) 6.980 11.369 ( 4.481 -6.855 2.998) 8.721 11.814 ( -6.306 -0.401 0.274) 6.324 11.896 ( -1.277 -5.767 2.310) 6.342 12.531 ( -5.847 -0.014 -4.709) 7.507 12.640 ( -5.580 -3.116 -1.906) 6.669 13.173 ( 5.453 12.443 5.141) 14.526 13.618 ( 5.727 -9.209 2.621) 11.157 14.271 ( -4.039 2.442 -11.205) 12.158 14.416 ( -7.075 -1.825 -13.235) 15.118 14.667 ( 3.400 -2.262 -0.443) 4.108 14.715 ( 1.942 -4.168 -9.503) 10.557 15.507 ( 0.244 5.825 -10.111) 11.671 15.717 ( -9.776 -2.210 -14.150) 17.340 16.437 ( -1.195 22.858 3.850) 23.211 17.209 ( 0.247 -13.300 8.996) 16.058 18.030 ( 2.351 1.579 11.543) 11.885 18.129 ( 2.672 -3.310 13.710) 14.355 24.824 ( -1.789 0.946 -2.619) 3.310 24.920 ( -3.527 -3.342 -1.013) 4.963 26.833 ( 1.213 0.142 -0.601) 1.361 26.965 ( 0.952 -5.129 2.079) 5.616 28.353 ( 1.061 5.663 -3.011) 6.501 28.504 ( 0.035 -0.342 -2.821) 2.842 28.643 ( 1.119 4.772 1.342) 5.082 28.857 ( -1.827 -5.047 -6.549) 8.467 28.954 ( 0.934 4.663 -2.853) 5.546 29.081 ( -2.422 -0.357 -5.073) 5.633 29.728 ( 0.365 4.447 5.317) 6.942 29.892 ( -0.309 -2.998 -0.972) 3.167 30.313 ( 1.496 18.038 1.388) 18.153 31.236 ( 6.113 -22.047 12.279) 25.966 ======================= Grid point 182 (97/156) ======================= q-point: (-0.45 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -8.426 12.189 -7.811) 16.751 2.821 ( -14.443 9.159 -9.509) 19.568 3.163 ( -14.214 -0.069 -3.017) 14.531 3.398 ( -20.765 2.192 -1.589) 20.941 3.491 ( -0.153 9.401 4.765) 10.541 3.822 ( 12.062 -3.811 0.229) 12.652 4.190 ( 7.494 2.779 -5.038) 9.448 4.497 ( 3.368 -6.494 2.854) 7.853 5.024 ( -0.777 2.497 7.542) 7.982 5.109 ( 3.816 7.691 0.961) 8.639 5.258 ( 6.500 3.715 -2.597) 7.924 5.345 ( -3.318 2.467 -6.781) 7.942 5.405 ( 0.175 -4.706 1.155) 4.849 5.591 ( 4.162 -1.432 -1.576) 4.675 5.705 ( 2.351 -2.061 -2.962) 4.307 5.832 ( 5.450 -7.524 4.349) 10.258 5.932 ( -1.060 7.037 -7.186) 10.114 6.169 ( -3.811 1.209 2.158) 4.544 6.306 ( 1.201 0.110 -1.867) 2.223 6.512 ( 3.830 -1.651 7.126) 8.257 6.944 ( -0.175 0.114 -4.556) 4.561 7.265 ( 1.931 -8.339 5.257) 10.045 7.334 ( 0.988 4.415 9.124) 10.185 7.434 ( 2.054 0.166 7.183) 7.472 8.277 ( -6.856 7.054 -8.285) 12.861 8.394 ( -3.263 -0.001 7.899) 8.546 8.504 ( 4.424 -2.095 -5.428) 7.309 8.649 ( 3.286 -10.560 6.778) 12.971 9.031 ( 6.306 3.876 1.793) 7.615 9.198 ( 3.104 -2.663 5.715) 7.028 9.688 ( -8.790 1.811 -10.636) 13.917 9.770 ( -1.527 -2.014 -9.613) 9.940 10.610 ( 2.809 0.457 3.133) 4.232 10.667 ( 0.440 -2.943 3.035) 4.250 11.052 ( 3.555 6.847 6.168) 9.878 11.412 ( -1.267 -0.973 -0.680) 1.736 11.772 ( 1.991 -3.100 0.494) 3.717 11.925 ( 1.368 -10.378 5.210) 11.692 12.400 ( -5.327 -0.438 -4.330) 6.878 12.518 ( -5.686 -4.349 -2.906) 7.726 13.285 ( 3.318 15.674 4.576) 16.662 13.706 ( 1.599 -5.942 3.986) 7.331 14.093 ( -5.591 1.612 -17.532) 18.473 14.219 ( -6.565 -1.809 -7.165) 9.885 14.699 ( 2.069 -1.216 -7.954) 8.308 14.704 ( 0.975 -2.690 -1.219) 3.110 15.458 ( -8.795 0.368 -11.537) 14.512 15.499 ( 4.003 -1.824 -6.152) 7.563 16.463 ( 1.475 24.616 2.713) 24.809 17.273 ( 1.117 -13.408 6.838) 15.092 18.155 ( 3.938 1.795 9.520) 10.457 18.279 ( 4.876 -4.054 11.579) 13.201 24.782 ( -1.265 1.230 -2.021) 2.683 24.879 ( -0.487 -3.025 -0.710) 3.145 26.843 ( 0.202 0.404 -0.542) 0.706 26.986 ( 0.155 -5.442 1.631) 5.683 28.353 ( 1.022 4.623 -3.367) 5.810 28.471 ( -1.745 0.878 -2.062) 2.840 28.651 ( -1.173 3.690 0.947) 3.986 28.768 ( -2.995 -3.129 -5.813) 7.249 28.926 ( -1.425 4.616 -4.932) 6.903 29.039 ( -1.273 -0.040 0.226) 1.294 29.766 ( 1.044 1.991 3.030) 3.773 29.878 ( -0.404 -2.730 -0.564) 2.817 30.382 ( 5.049 20.800 1.281) 21.442 31.407 ( 5.156 -24.367 9.427) 26.631 ======================= Grid point 183 (98/156) ======================= q-point: (-0.36 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -14.797 14.023 -5.802) 21.195 2.598 ( -6.611 2.920 2.305) 7.586 2.900 ( -22.188 -4.583 7.683) 23.923 2.995 ( -11.129 -14.321 -5.585) 18.978 3.532 ( -0.045 19.372 3.606) 19.705 3.995 ( 6.133 -2.941 -5.309) 8.629 4.267 ( 3.132 6.815 2.210) 7.819 4.559 ( -0.423 -1.044 2.310) 2.570 5.023 ( -3.804 6.902 1.859) 8.097 5.144 ( 1.701 2.452 -2.819) 4.105 5.178 ( -4.920 -5.490 3.160) 8.021 5.270 ( -3.099 1.730 -7.220) 8.045 5.593 ( 4.915 -2.622 1.851) 5.870 5.622 ( 10.680 -6.082 0.765) 12.314 5.813 ( -1.486 -0.144 2.013) 2.506 5.951 ( 17.507 17.288 -12.442) 27.571 5.977 ( 6.573 -4.065 4.703) 9.047 6.119 ( -1.550 4.718 -0.344) 4.979 6.364 ( 6.460 -2.901 -0.309) 7.088 6.574 ( -4.178 -5.420 8.354) 10.799 6.910 ( 0.983 6.901 -7.374) 10.148 7.257 ( -3.266 -5.745 -0.866) 6.665 7.394 ( -1.120 4.218 8.117) 9.216 7.505 ( 0.038 0.103 6.319) 6.320 8.127 ( -3.932 11.183 -6.296) 13.423 8.376 ( -5.972 -0.184 7.949) 9.944 8.564 ( 7.777 -7.783 -5.388) 12.251 8.790 ( 9.428 -13.229 5.150) 17.042 9.185 ( 8.144 0.714 -0.889) 8.224 9.240 ( 0.856 -2.972 -1.606) 3.485 9.479 ( -8.198 4.037 -4.515) 10.193 9.715 ( 1.096 -6.240 -4.423) 7.727 10.647 ( 0.250 0.528 0.658) 0.880 10.713 ( 1.922 -4.019 2.458) 5.088 11.158 ( 3.982 6.874 4.216) 8.993 11.345 ( -3.810 6.410 -1.896) 7.694 11.857 ( 5.597 -7.538 0.627) 9.409 11.988 ( 1.593 -13.083 4.030) 13.782 12.296 ( -3.949 0.624 -0.649) 4.050 12.423 ( -3.593 -5.161 1.219) 6.406 13.326 ( -1.152 16.033 -0.274) 16.077 13.727 ( -2.010 -3.847 3.611) 5.646 13.888 ( -4.917 1.891 -12.088) 13.186 14.105 ( -3.218 -3.950 -0.594) 5.129 14.670 ( 0.400 0.175 -7.462) 7.475 14.701 ( -0.474 -2.314 -1.460) 2.777 15.264 ( -5.289 5.446 -8.702) 11.548 15.565 ( 5.105 -7.486 -2.097) 9.300 16.528 ( 4.713 25.662 1.306) 26.123 17.329 ( 0.921 -13.005 4.672) 13.850 18.282 ( 4.557 2.590 5.585) 7.659 18.434 ( 5.425 -4.316 6.878) 9.766 24.758 ( -0.275 2.202 -0.772) 2.350 24.890 ( 1.578 -3.633 0.696) 4.022 26.833 ( -0.833 1.023 -0.884) 1.588 26.988 ( -1.072 -5.643 1.165) 5.861 28.339 ( -0.426 4.040 -3.910) 5.638 28.423 ( -2.216 2.564 -0.976) 3.527 28.607 ( -3.811 2.348 -1.152) 4.622 28.706 ( -0.900 -2.343 -0.315) 2.530 28.853 ( -2.930 5.749 -4.525) 7.881 29.021 ( -1.486 -1.042 1.333) 2.252 29.803 ( 1.486 1.144 1.332) 2.300 29.879 ( 0.649 -2.294 0.387) 2.415 30.498 ( 7.111 20.479 -0.586) 21.686 31.530 ( 3.228 -25.586 4.572) 26.191 ======================= Grid point 184 (99/156) ======================= q-point: (-0.27 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -13.042 19.923 11.415) 26.407 2.380 ( -23.612 0.102 10.361) 25.785 2.745 ( 6.396 -13.960 0.789) 15.376 2.883 ( -3.465 -19.140 2.957) 19.675 3.546 ( -0.492 20.521 3.102) 20.760 3.944 ( -7.409 2.619 -4.035) 8.834 4.304 ( -4.230 8.815 2.835) 10.180 4.488 ( -4.891 6.068 -2.424) 8.162 4.939 ( -3.389 4.615 -1.524) 5.925 5.120 ( -2.789 -3.786 -1.343) 4.891 5.175 ( 0.300 -3.529 2.453) 4.308 5.239 ( 2.580 -1.878 -0.104) 3.192 5.640 ( 0.079 -0.603 3.241) 3.297 5.781 ( 3.875 -2.104 -3.202) 5.450 5.797 ( 2.045 -2.381 1.421) 3.445 6.021 ( -0.531 -5.974 1.650) 6.221 6.143 ( 4.125 5.382 0.804) 6.829 6.337 ( 21.295 13.330 -3.270) 25.335 6.489 ( -5.644 -4.728 4.977) 8.887 6.529 ( 11.709 -1.681 0.016) 11.829 6.885 ( 0.534 10.108 -7.623) 12.671 7.164 ( -3.378 -2.628 -8.772) 9.760 7.390 ( -2.886 2.504 2.991) 4.853 7.487 ( -5.162 -0.467 1.989) 5.552 8.046 ( -3.716 10.620 -1.477) 11.347 8.300 ( -5.444 5.936 6.966) 10.649 8.689 ( 7.351 -10.760 -2.059) 13.193 9.016 ( 7.111 -23.937 -10.887) 27.241 9.151 ( 1.234 6.457 -1.883) 6.839 9.306 ( 0.905 -1.354 -2.951) 3.371 9.477 ( 13.924 1.570 2.172) 14.180 9.750 ( 2.594 -7.553 3.090) 8.563 10.650 ( 0.307 0.990 -0.470) 1.138 10.732 ( -0.334 -3.869 -1.981) 4.359 11.217 ( 1.512 7.393 -3.847) 8.470 11.299 ( -0.132 8.476 1.824) 8.671 11.951 ( 3.569 -10.486 0.375) 11.083 12.001 ( -1.096 -11.696 -1.486) 11.840 12.273 ( -1.283 1.616 9.189) 9.418 12.422 ( 0.085 -6.074 9.106) 10.946 13.234 ( -5.444 12.861 -6.834) 15.548 13.637 ( -5.206 -7.256 -7.202) 11.473 13.867 ( 2.062 5.730 11.789) 13.269 14.087 ( -0.557 -3.234 4.373) 5.467 14.630 ( -0.692 0.324 -3.718) 3.796 14.673 ( -0.765 -1.780 -3.305) 3.831 15.164 ( -0.803 9.976 -5.508) 11.424 15.627 ( 1.864 -9.042 0.096) 9.233 16.664 ( 9.943 23.738 0.468) 25.741 17.358 ( -0.336 -11.534 3.004) 11.924 18.378 ( 3.673 3.517 0.407) 5.101 18.541 ( 3.326 -3.626 0.484) 4.944 24.768 ( 1.313 3.130 1.413) 3.677 24.939 ( 2.412 -4.421 2.939) 5.831 26.800 ( -2.096 1.602 -1.334) 2.956 26.957 ( -2.969 -5.656 0.399) 6.401 28.276 ( -3.726 3.769 -3.252) 6.218 28.389 ( -1.387 1.775 -1.379) 2.641 28.520 ( -4.100 4.095 -0.381) 5.807 28.721 ( -0.066 -2.825 2.274) 3.627 28.791 ( -0.057 7.080 -1.231) 7.186 29.005 ( -0.792 -2.077 1.269) 2.559 29.835 ( 1.393 1.542 0.318) 2.102 29.908 ( 2.146 -2.045 1.084) 3.156 30.614 ( 6.674 17.431 -3.846) 19.057 31.561 ( -1.386 -25.763 -2.182) 25.892 ======================= Grid point 185 (100/156) ======================= q-point: (-0.18 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -9.848 17.513 24.936) 32.023 2.088 ( -13.418 13.499 13.632) 23.411 2.882 ( -1.038 -19.701 9.407) 21.856 2.952 ( 13.877 -19.963 -0.461) 24.317 3.540 ( -4.077 17.279 5.466) 18.576 3.727 ( -13.329 10.636 -0.990) 17.081 4.141 ( -11.237 14.208 1.482) 18.175 4.407 ( -2.266 0.519 -7.618) 7.965 4.888 ( -1.845 1.495 -0.954) 2.559 5.084 ( -0.746 -1.876 1.970) 2.821 5.208 ( 1.342 -5.255 0.080) 5.424 5.256 ( -1.467 -5.796 -0.331) 5.988 5.644 ( -1.499 -0.782 4.298) 4.619 5.813 ( -2.730 -7.810 1.068) 8.342 5.838 ( 5.264 2.902 -0.956) 6.086 5.996 ( -1.684 -2.893 3.554) 4.882 6.227 ( 4.766 7.690 -1.247) 9.132 6.451 ( -1.245 3.803 2.873) 4.926 6.642 ( 12.416 3.018 1.296) 12.843 6.768 ( 9.909 -6.511 -2.768) 12.175 6.836 ( 1.009 5.518 -7.080) 9.033 7.066 ( 2.733 -1.596 -13.317) 13.688 7.331 ( -3.882 1.820 -2.894) 5.173 7.362 ( -7.974 -1.188 0.447) 8.074 7.940 ( -7.026 8.106 0.530) 10.740 8.313 ( 2.087 12.401 5.257) 13.631 8.758 ( -7.126 -18.581 -10.359) 22.435 8.819 ( -6.276 -8.298 0.634) 10.423 9.139 ( 2.305 8.921 -10.983) 14.336 9.508 ( 14.476 -8.237 -7.527) 18.277 9.798 ( 13.806 -2.163 0.779) 13.997 9.863 ( 10.245 -5.120 9.950) 15.172 10.649 ( 1.009 1.977 -5.375) 5.815 10.700 ( 0.663 -0.581 -3.246) 3.363 11.190 ( 0.678 7.682 -9.336) 12.109 11.346 ( 3.400 5.553 2.646) 7.028 11.903 ( -3.795 -11.188 -6.672) 13.568 12.018 ( -1.997 -8.947 9.215) 12.998 12.351 ( 1.082 2.713 15.204) 15.482 12.528 ( 3.013 -6.176 13.323) 14.990 13.105 ( -2.166 11.334 -8.601) 14.391 13.509 ( -4.465 -6.964 -5.383) 9.870 14.057 ( 7.385 1.453 19.834) 21.214 14.127 ( 0.337 -2.242 8.533) 8.829 14.597 ( -1.492 0.298 -1.740) 2.311 14.651 ( 1.140 -1.496 -1.934) 2.698 15.166 ( 3.510 11.110 -1.874) 11.801 15.624 ( -2.362 -7.441 0.845) 7.853 16.890 ( 14.248 17.738 0.094) 22.752 17.359 ( -0.980 -8.519 2.385) 8.901 18.408 ( 1.014 4.213 -5.189) 6.760 18.546 ( -0.996 -1.710 -5.765) 6.095 24.829 ( 3.516 2.870 4.397) 6.319 25.009 ( 2.329 -5.016 5.666) 7.918 26.743 ( -2.993 1.570 -1.460) 3.682 26.885 ( -4.783 -5.265 -0.741) 7.151 28.187 ( -3.739 3.062 -2.375) 5.385 28.325 ( -4.177 -2.115 -2.164) 5.158 28.489 ( -0.290 8.956 2.211) 9.229 28.695 ( -1.305 3.066 -1.355) 3.597 28.870 ( 5.042 1.891 6.547) 8.477 29.020 ( 1.613 -1.870 1.870) 3.098 29.857 ( 1.236 2.222 -0.408) 2.575 29.970 ( 3.827 -2.881 1.184) 4.935 30.674 ( 3.726 12.675 -7.889) 15.388 31.421 ( -10.687 -22.870 -10.035) 27.165 ======================= Grid point 186 (101/156) ======================= q-point: (-0.09 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -4.975 20.590 17.062) 27.199 2.128 ( -0.192 22.025 27.024) 34.863 2.944 ( 0.516 -19.247 10.401) 21.884 3.174 ( 7.896 -6.715 1.716) 10.506 3.456 ( -10.876 11.006 13.599) 20.600 3.511 ( -5.379 5.830 -6.210) 10.074 4.008 ( -5.336 13.011 4.792) 14.857 4.300 ( -3.269 -4.908 -9.142) 10.879 4.849 ( -1.355 -2.037 -2.141) 3.250 5.112 ( -0.488 -6.364 -1.023) 6.464 5.159 ( -1.252 -1.740 -2.040) 2.960 5.244 ( 0.399 -4.291 0.814) 4.386 5.656 ( -0.782 -2.029 4.984) 5.438 5.770 ( -3.302 -5.097 3.874) 7.204 5.916 ( 2.831 6.184 -3.204) 7.518 6.023 ( 3.284 3.588 2.197) 5.337 6.308 ( 4.658 4.170 -1.772) 6.498 6.372 ( -6.631 8.166 0.397) 10.526 6.726 ( -4.601 -7.155 -7.070) 11.061 6.856 ( 7.005 -3.664 0.625) 7.929 6.900 ( 8.071 0.522 -3.562) 8.837 7.062 ( -2.518 -7.782 -5.890) 10.079 7.264 ( 1.517 -1.776 1.436) 2.742 7.280 ( 0.745 -0.420 -5.749) 5.812 7.839 ( -2.932 6.845 -1.618) 7.620 8.324 ( -17.973 -7.024 -17.926) 26.339 8.419 ( 1.611 8.808 6.365) 10.986 8.844 ( -2.243 -8.205 7.904) 11.612 9.128 ( 3.810 10.753 -11.568) 16.247 9.592 ( 2.748 -9.473 -12.688) 16.071 9.941 ( 2.344 4.589 7.739) 9.297 10.145 ( 9.782 -3.430 2.019) 10.560 10.662 ( 6.065 3.079 -7.298) 9.976 10.738 ( 4.781 -0.413 -2.988) 5.652 11.119 ( -1.822 5.182 -10.996) 12.292 11.437 ( 5.374 -3.940 -4.755) 8.186 11.816 ( -2.146 -3.598 2.690) 4.979 12.013 ( -4.827 -6.058 11.487) 13.855 12.495 ( 4.233 3.344 14.938) 15.882 12.659 ( 2.258 -4.065 11.117) 12.050 13.068 ( 3.163 10.335 -7.171) 12.971 13.397 ( -5.661 -1.890 -2.472) 6.460 14.192 ( 0.164 -4.416 11.023) 11.876 14.310 ( 3.261 -7.030 13.894) 15.909 14.583 ( 3.693 1.356 -0.636) 3.985 14.728 ( 7.261 -5.711 5.662) 10.835 15.260 ( 6.472 8.808 2.330) 11.176 15.571 ( -3.522 -4.724 1.243) 6.022 17.119 ( 9.207 10.315 -1.690) 13.930 17.395 ( 4.323 -4.862 3.917) 7.595 18.339 ( -3.496 4.830 -10.313) 11.913 18.444 ( -4.395 0.239 -8.841) 9.876 24.949 ( 5.637 0.083 6.207) 8.385 25.094 ( 2.412 -6.064 8.434) 10.664 26.684 ( -2.333 0.796 -1.274) 2.775 26.783 ( -5.342 -4.034 -1.612) 6.886 28.126 ( -1.084 1.787 -2.097) 2.960 28.242 ( -2.976 -2.729 -1.644) 4.360 28.508 ( 0.168 9.694 2.755) 10.079 28.683 ( 0.908 4.011 -0.962) 4.223 29.021 ( 5.689 1.500 9.311) 11.014 29.091 ( 4.171 -0.181 4.043) 5.812 29.877 ( 1.465 2.778 -1.350) 3.419 30.050 ( 4.038 -4.905 -0.373) 6.364 30.642 ( -0.596 7.393 -11.531) 13.710 31.046 ( -21.052 -12.555 -14.260) 28.358 ======================= Grid point 187 (102/156) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 9.008 -18.956 13.612) 25.015 2.566 ( 9.008 18.956 13.612) 25.015 2.866 ( 0.674 -23.345 9.170) 25.090 2.866 ( 0.674 23.345 9.170) 25.090 3.477 ( -6.289 -5.832 -0.133) 8.578 3.477 ( -6.289 5.832 -0.133) 8.578 4.152 ( -0.629 -4.722 3.287) 5.787 4.152 ( -0.629 4.722 3.287) 5.787 4.847 ( -1.631 -8.791 -7.753) 11.834 4.847 ( -1.631 8.791 -7.753) 11.834 5.245 ( 4.275 -2.472 2.984) 5.769 5.245 ( 4.275 2.472 2.984) 5.769 5.642 ( -4.969 -2.054 4.756) 7.178 5.642 ( -4.969 2.054 4.756) 7.178 6.094 ( -0.882 -7.001 2.859) 7.613 6.094 ( -0.882 7.001 2.859) 7.613 6.403 ( 3.870 -9.117 -5.450) 11.305 6.403 ( 3.870 9.117 -5.450) 11.305 6.595 ( -5.368 -10.576 -0.839) 11.890 6.595 ( -5.368 10.576 -0.839) 11.890 7.006 ( 2.247 -5.306 -1.546) 5.966 7.006 ( 2.247 5.306 -1.546) 5.966 7.282 ( 4.004 -1.804 -1.796) 4.745 7.282 ( 4.004 1.804 -1.796) 4.745 7.830 ( -7.900 -2.792 -12.003) 14.638 7.830 ( -7.900 2.792 -12.003) 14.638 8.688 ( -0.607 -6.978 6.341) 9.449 8.688 ( -0.607 6.978 6.341) 9.449 9.346 ( 1.853 -9.940 -11.455) 15.279 9.346 ( 1.853 9.940 -11.455) 15.279 10.146 ( -1.176 -6.945 7.531) 10.312 10.146 ( -1.176 6.945 7.531) 10.312 10.758 ( 2.638 -1.710 -6.512) 7.232 10.758 ( 2.638 1.710 -6.512) 7.232 11.123 ( -5.073 -9.865 -11.280) 15.821 11.123 ( -5.073 9.865 -11.280) 15.821 11.996 ( 5.911 -2.717 9.348) 11.389 11.996 ( 5.911 2.717 9.348) 11.389 12.716 ( 3.043 -1.969 9.829) 10.476 12.716 ( 3.043 1.969 9.829) 10.476 13.252 ( -1.950 -5.545 -3.538) 6.860 13.252 ( -1.950 5.545 -3.538) 6.860 14.214 ( -2.832 -2.071 8.582) 9.272 14.214 ( -2.832 2.071 8.582) 9.272 14.747 ( 6.922 -6.290 1.234) 9.434 14.747 ( 6.922 6.290 1.234) 9.434 15.497 ( 3.246 -3.121 4.495) 6.363 15.497 ( 3.246 3.121 4.495) 6.363 17.378 ( 3.145 -8.300 2.650) 9.263 17.378 ( 3.145 8.300 2.650) 9.263 18.259 ( -7.089 -3.740 -10.654) 13.332 18.259 ( -7.089 3.740 -10.654) 13.332 25.073 ( 1.658 -3.422 6.415) 7.457 25.073 ( 1.658 3.422 6.415) 7.457 26.660 ( -1.162 -1.082 -1.592) 2.248 26.660 ( -1.162 1.082 -1.592) 2.248 28.162 ( 1.870 -2.308 -2.099) 3.637 28.162 ( 1.870 2.308 -2.099) 3.637 28.674 ( -0.720 -5.360 3.025) 6.197 28.674 ( -0.720 5.360 3.025) 6.197 29.214 ( 4.991 -1.632 9.047) 10.461 29.214 ( 4.991 1.632 9.047) 10.461 29.957 ( -0.750 -4.731 -5.152) 7.035 29.957 ( -0.750 4.731 -5.152) 7.035 30.588 ( -6.992 -2.914 -10.930) 13.298 30.588 ( -6.992 2.914 -10.930) 13.298 ======================= Grid point 189 (103/156) ======================= q-point: ( 0.09 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -0.204 -21.184 9.523) 23.227 2.814 ( -0.204 21.184 9.523) 23.227 2.867 ( 5.294 -8.918 6.048) 12.006 2.867 ( 5.294 8.918 6.048) 12.006 3.471 ( 3.830 -5.546 4.540) 8.126 3.471 ( 3.830 5.546 4.540) 8.126 4.233 ( 6.308 -5.058 4.720) 9.362 4.233 ( 6.308 5.058 4.720) 9.362 4.761 ( -0.938 -9.496 -12.247) 15.526 4.761 ( -0.938 9.496 -12.247) 15.526 5.352 ( 3.798 -5.542 6.236) 9.166 5.352 ( 3.798 5.542 6.236) 9.166 5.558 ( -6.260 -3.465 3.456) 7.946 5.558 ( -6.260 3.465 3.456) 7.946 6.068 ( -2.358 -3.650 1.742) 4.682 6.068 ( -2.358 3.650 1.742) 4.682 6.373 ( -5.664 -6.736 -3.188) 9.360 6.373 ( -5.664 6.736 -3.188) 9.360 6.591 ( 5.542 -5.141 -2.559) 7.981 6.591 ( 5.542 5.141 -2.559) 7.981 7.020 ( -0.112 -5.523 -0.531) 5.549 7.020 ( -0.112 5.523 -0.531) 5.549 7.283 ( -2.369 -1.469 -5.129) 5.838 7.283 ( -2.369 1.469 -5.129) 5.838 7.716 ( 2.039 -6.480 -4.631) 8.221 7.716 ( 2.039 6.480 -4.631) 8.221 8.708 ( -1.005 -2.651 5.541) 6.224 8.708 ( -1.005 2.651 5.541) 6.224 9.286 ( -0.960 -9.089 -10.473) 13.900 9.286 ( -0.960 9.089 -10.473) 13.900 10.137 ( -3.921 -8.022 5.939) 10.724 10.137 ( -3.921 8.022 5.939) 10.724 10.719 ( -2.896 -2.323 -4.821) 6.085 10.719 ( -2.896 2.323 -4.821) 6.085 10.982 ( -3.256 -9.461 -6.176) 11.758 10.982 ( -3.256 9.461 -6.176) 11.758 12.185 ( 8.498 -1.991 6.609) 10.948 12.185 ( 8.498 1.991 6.609) 10.948 12.775 ( -3.303 -4.022 6.899) 8.641 12.775 ( -3.303 4.022 6.899) 8.641 13.151 ( -5.088 -6.877 -4.295) 9.572 13.151 ( -5.088 6.877 -4.295) 9.572 14.249 ( 1.528 -2.824 7.745) 8.384 14.249 ( 1.528 2.824 7.745) 8.384 14.841 ( 3.246 -8.155 -3.388) 9.408 14.841 ( 3.246 8.155 -3.388) 9.408 15.618 ( 6.828 -3.298 4.845) 8.999 15.618 ( 6.828 3.298 4.845) 8.999 17.392 ( -3.709 -8.358 0.581) 9.162 17.392 ( -3.709 8.358 0.581) 9.162 18.063 ( -7.468 -4.852 -6.343) 10.934 18.063 ( -7.468 4.852 -6.343) 10.934 25.114 ( -1.293 -5.201 4.800) 7.195 25.114 ( -1.293 5.201 4.800) 7.195 26.661 ( 2.274 -0.455 -1.335) 2.676 26.661 ( 2.274 0.455 -1.335) 2.676 28.217 ( 5.569 -1.767 -2.567) 6.382 28.217 ( 5.569 1.767 -2.567) 6.382 28.679 ( -0.582 -6.633 2.459) 7.098 28.679 ( -0.582 6.633 2.459) 7.098 29.341 ( 1.122 -3.511 11.615) 12.186 29.341 ( 1.122 3.511 11.615) 12.186 29.839 ( -5.363 -6.003 -10.957) 13.596 29.839 ( -5.363 6.003 -10.957) 13.596 30.484 ( 0.812 -4.474 -5.055) 6.799 30.484 ( 0.812 4.474 -5.055) 6.799 ======================= Grid point 191 (104/156) ======================= q-point: ( 0.18 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -3.935 -21.084 3.704) 21.765 2.741 ( -3.935 21.084 3.704) 21.765 3.119 ( 10.722 -14.345 6.737) 19.134 3.119 ( 10.722 14.345 6.737) 19.134 3.627 ( 9.415 -3.914 3.818) 10.887 3.627 ( 9.415 3.914 3.818) 10.887 4.384 ( 6.135 -1.741 -1.024) 6.459 4.384 ( 6.135 1.741 -1.024) 6.459 4.689 ( 1.616 -10.155 -6.141) 11.977 4.689 ( 1.616 10.155 -6.141) 11.977 5.402 ( -6.729 -3.316 10.079) 12.564 5.402 ( -6.729 3.316 10.079) 12.564 5.511 ( 1.160 -11.243 1.331) 11.381 5.511 ( 1.160 11.243 1.331) 11.381 6.043 ( -1.364 -2.834 0.580) 3.198 6.043 ( -1.364 2.834 0.580) 3.198 6.252 ( -4.298 -10.639 -1.677) 11.596 6.252 ( -4.298 10.639 -1.677) 11.596 6.620 ( -1.701 -6.271 -6.304) 9.053 6.620 ( -1.701 6.271 -6.304) 9.053 6.991 ( -0.607 -2.255 -4.249) 4.848 6.991 ( -0.607 2.255 -4.249) 4.848 7.202 ( -2.644 -2.824 -1.294) 4.079 7.202 ( -2.644 2.824 -1.294) 4.079 7.801 ( 6.443 -5.544 3.245) 9.098 7.801 ( 6.443 5.544 3.245) 9.098 8.726 ( -0.395 -3.768 4.296) 5.728 8.726 ( -0.395 3.768 4.296) 5.728 9.183 ( -3.540 -9.168 -8.897) 13.257 9.183 ( -3.540 9.168 -8.897) 13.257 10.096 ( -3.099 -8.046 2.151) 8.886 10.096 ( -3.099 8.046 2.151) 8.886 10.622 ( -4.143 -1.945 -2.600) 5.263 10.622 ( -4.143 1.945 -2.600) 5.263 10.941 ( 0.770 -7.306 -1.201) 7.444 10.941 ( 0.770 7.306 -1.201) 7.444 12.317 ( -0.102 -6.232 2.016) 6.551 12.317 ( -0.102 6.232 2.016) 6.551 12.704 ( -6.333 -5.485 9.050) 12.333 12.704 ( -6.333 5.485 9.050) 12.333 13.076 ( 0.847 -9.669 -6.508) 11.686 13.076 ( 0.847 9.669 -6.508) 11.686 14.350 ( 3.878 -4.075 6.606) 8.677 14.350 ( 3.878 4.075 6.606) 8.677 14.820 ( -0.772 -7.008 -9.000) 11.433 14.820 ( -0.772 7.008 -9.000) 11.433 15.783 ( 7.798 -5.546 2.636) 9.926 15.783 ( 7.798 5.546 2.636) 9.926 17.237 ( -11.582 -9.185 -3.305) 15.147 17.237 ( -11.582 9.185 -3.305) 15.147 17.945 ( -4.187 -3.520 2.543) 6.032 17.945 ( -4.187 3.520 2.543) 6.032 25.086 ( -4.071 -5.522 2.447) 7.284 25.086 ( -4.071 5.522 2.447) 7.284 26.716 ( 4.163 -0.821 -0.903) 4.338 26.716 ( 4.163 0.821 -0.903) 4.338 28.315 ( 6.775 -1.233 -3.077) 7.542 28.315 ( 6.775 1.233 -3.077) 7.542 28.689 ( 0.263 -7.465 2.027) 7.740 28.689 ( 0.263 7.465 2.027) 7.740 29.348 ( -6.422 -9.872 3.383) 12.253 29.348 ( -6.422 9.872 3.383) 12.253 29.730 ( 0.539 -2.487 -4.307) 5.003 29.730 ( 0.539 2.487 -4.307) 5.003 30.510 ( 3.032 -7.696 -0.597) 8.293 30.510 ( 3.032 7.696 -0.597) 8.293 ======================= Grid point 193 (105/156) ======================= q-point: ( 0.27 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 4.023 -20.340 5.773) 21.522 2.771 ( 4.023 20.340 5.773) 21.522 3.305 ( 7.620 -8.598 -0.645) 11.507 3.305 ( 7.620 8.598 -0.645) 11.507 3.816 ( 9.769 -7.277 -2.422) 12.420 3.816 ( 9.769 7.277 -2.422) 12.420 4.379 ( -1.652 -11.826 -7.760) 14.241 4.379 ( -1.652 11.826 -7.760) 14.241 4.783 ( 5.556 -11.099 7.009) 14.254 4.783 ( 5.556 11.099 7.009) 14.254 5.298 ( -9.393 -5.524 11.040) 15.513 5.298 ( -9.393 5.524 11.040) 15.513 5.524 ( -1.335 -6.173 -2.364) 6.744 5.524 ( -1.335 6.173 -2.364) 6.744 6.017 ( -2.333 -5.173 2.285) 6.118 6.017 ( -2.333 5.173 2.285) 6.118 6.226 ( 2.107 -12.350 -3.886) 13.117 6.226 ( 2.107 12.350 -3.886) 13.117 6.456 ( -10.039 -2.202 -4.700) 11.301 6.456 ( -10.039 2.202 -4.700) 11.301 6.966 ( 1.097 -4.605 -5.548) 7.293 6.966 ( 1.097 4.605 -5.548) 7.293 7.184 ( -0.027 -1.654 2.642) 3.118 7.184 ( -0.027 1.654 2.642) 3.118 7.968 ( 8.217 -3.073 7.219) 11.361 7.968 ( 8.217 3.073 7.219) 11.361 8.738 ( -1.273 -6.146 2.158) 6.637 8.738 ( -1.273 6.146 2.158) 6.637 9.062 ( -3.863 -7.172 -6.028) 10.134 9.062 ( -3.863 7.172 -6.028) 10.134 10.057 ( -1.039 -6.831 -2.860) 7.478 10.057 ( -1.039 6.831 -2.860) 7.478 10.557 ( -2.150 -0.406 0.117) 2.191 10.557 ( -2.150 0.406 0.117) 2.191 10.978 ( 2.483 -6.965 2.744) 7.887 10.978 ( 2.483 6.965 2.744) 7.887 12.177 ( -11.957 -4.414 -1.574) 12.842 12.177 ( -11.957 4.414 -1.574) 12.842 12.719 ( -0.845 -1.760 6.645) 6.926 12.719 ( -0.845 1.760 6.645) 6.926 13.102 ( 6.042 -11.296 -3.651) 13.320 13.102 ( 6.042 11.296 -3.651) 13.320 14.448 ( 2.589 -3.499 4.181) 6.036 14.448 ( 2.589 3.499 4.181) 6.036 14.725 ( -1.430 -5.470 -12.534) 13.750 14.725 ( -1.430 5.470 -12.534) 13.750 15.889 ( 3.466 -7.723 -4.784) 9.723 15.889 ( 3.466 7.723 -4.784) 9.723 16.999 ( -11.529 -11.918 -0.026) 16.582 16.999 ( -11.529 11.918 -0.026) 16.582 17.928 ( -1.980 -2.382 8.524) 9.069 17.928 ( -1.980 2.382 8.524) 9.069 25.011 ( -4.847 -4.485 0.326) 6.612 25.011 ( -4.847 4.485 0.326) 6.612 26.786 ( 3.679 -2.164 -0.302) 4.279 26.786 ( 3.679 2.164 -0.302) 4.279 28.406 ( 5.321 -2.108 -3.641) 6.783 28.406 ( 5.321 2.108 -3.641) 6.783 28.714 ( 1.057 -7.756 1.976) 8.073 28.714 ( 1.057 7.756 1.976) 8.073 29.210 ( -5.885 -10.522 -5.822) 13.388 29.210 ( -5.885 10.522 -5.822) 13.388 29.766 ( 1.979 -4.858 3.130) 6.108 29.766 ( 1.979 4.858 3.130) 6.108 30.570 ( 2.612 -12.538 3.216) 13.205 30.570 ( 2.612 12.538 3.216) 13.205 ======================= Grid point 195 (106/156) ======================= q-point: ( 0.36 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 6.996 -18.013 5.467) 20.083 2.926 ( 6.996 18.013 5.467) 20.083 3.385 ( 4.750 -4.071 -7.333) 9.639 3.385 ( 4.750 4.071 -7.333) 9.639 3.940 ( 9.035 -10.798 -9.295) 16.870 3.940 ( 9.035 10.798 -9.295) 16.870 4.241 ( -13.219 -12.483 1.355) 18.231 4.241 ( -13.219 12.483 1.355) 18.231 4.903 ( 3.946 -8.278 6.378) 11.170 4.903 ( 3.946 8.278 6.378) 11.170 5.283 ( 0.723 -7.093 10.576) 12.755 5.283 ( 0.722 7.093 10.576) 12.755 5.437 ( -4.398 -2.617 -4.854) 7.053 5.437 ( -4.398 2.617 -4.854) 7.053 5.955 ( -7.514 -3.952 -2.223) 8.777 5.955 ( -7.514 3.952 -2.223) 8.777 6.180 ( -2.318 -8.482 -4.040) 9.677 6.180 ( -2.318 8.482 -4.040) 9.677 6.336 ( -1.717 -4.029 1.134) 4.524 6.336 ( -1.717 4.029 1.134) 4.524 6.972 ( 2.557 -2.303 -2.519) 4.265 6.972 ( 2.557 2.303 -2.519) 4.265 7.224 ( 1.975 -2.674 4.478) 5.577 7.224 ( 1.975 2.674 4.478) 5.577 8.180 ( 9.565 -3.067 7.892) 12.774 8.180 ( 9.565 3.067 7.892) 12.774 8.676 ( -5.765 -4.712 -2.104) 7.738 8.676 ( -5.765 4.712 -2.104) 7.738 9.002 ( -0.268 -3.588 -0.364) 3.616 9.002 ( -0.268 3.588 -0.364) 3.616 10.007 ( -1.385 -4.345 -7.841) 9.071 10.007 ( -1.385 4.345 -7.841) 9.071 10.544 ( -0.373 -2.210 2.781) 3.572 10.544 ( -0.373 2.210 2.781) 3.572 11.056 ( 3.246 -9.006 5.121) 10.857 11.056 ( 3.246 9.006 5.121) 10.857 11.962 ( -9.570 -1.651 -1.803) 9.877 11.962 ( -9.570 1.651 -1.803) 9.877 12.687 ( -4.316 -1.975 -1.164) 4.887 12.687 ( -4.316 1.975 -1.164) 4.887 13.241 ( 8.650 -11.020 2.690) 14.265 13.241 ( 8.650 11.020 2.690) 14.265 14.462 ( -2.247 -5.148 -3.151) 6.440 14.462 ( -2.247 5.148 -3.151) 6.440 14.651 ( 1.898 -4.219 -9.566) 10.626 14.651 ( 1.898 4.219 -9.566) 10.626 15.823 ( -4.060 -8.753 -13.022) 16.207 15.823 ( -4.060 8.753 -13.022) 16.207 16.870 ( -4.830 -16.248 6.407) 18.122 16.870 ( -4.830 16.248 6.407) 18.122 17.973 ( 0.004 -2.059 11.400) 11.584 17.973 ( 0.004 2.059 11.400) 11.584 24.927 ( -4.016 -3.259 -1.074) 5.282 24.927 ( -4.016 3.259 -1.074) 5.282 26.839 ( 2.280 -3.012 0.149) 3.780 26.839 ( 2.280 3.012 0.149) 3.780 28.455 ( 2.779 -3.459 -4.145) 6.072 28.455 ( 2.779 3.459 -4.145) 6.072 28.741 ( 0.461 -7.344 1.479) 7.505 28.741 ( 0.461 7.344 1.479) 7.505 29.098 ( -1.849 -6.321 -6.988) 9.602 29.098 ( -1.849 6.321 -6.988) 9.602 29.808 ( 0.274 -5.016 3.012) 5.857 29.808 ( 0.274 5.016 3.012) 5.857 30.648 ( 2.848 -18.493 6.296) 19.742 30.648 ( 2.848 18.493 6.296) 19.742 ======================= Grid point 197 (107/156) ======================= q-point: (-0.55 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( -4.988 -11.770 -6.172) 14.196 2.958 ( -4.988 11.770 -6.172) 14.196 3.486 ( 10.451 -6.320 1.021) 12.256 3.486 ( 10.451 6.320 1.021) 12.256 3.830 ( -24.198 -6.258 -2.484) 25.117 3.830 ( -24.198 6.258 -2.484) 25.117 4.129 ( 9.529 -13.452 -2.490) 16.671 4.129 ( 9.529 13.452 -2.490) 16.671 5.040 ( 6.286 -6.195 5.103) 10.195 5.040 ( 6.286 6.195 5.103) 10.195 5.300 ( -2.261 -5.801 -2.906) 6.871 5.300 ( -2.261 5.801 -2.906) 6.871 5.468 ( 7.649 -4.044 8.281) 11.976 5.468 ( 7.649 4.044 8.281) 11.976 5.728 ( -10.202 -6.603 -11.207) 16.531 5.728 ( -10.202 6.603 -11.207) 16.531 6.155 ( -1.525 -4.248 0.579) 4.550 6.155 ( -1.525 4.248 0.579) 4.550 6.339 ( 0.959 -4.243 2.024) 4.798 6.339 ( 0.959 4.243 2.024) 4.798 7.014 ( 2.431 -5.783 0.682) 6.310 7.014 ( 2.431 5.783 0.682) 6.310 7.310 ( 3.458 -3.120 6.554) 8.041 7.310 ( 3.458 3.120 6.554) 8.041 8.380 ( 6.900 -3.245 5.741) 9.544 8.380 ( 6.900 3.245 5.741) 9.544 8.531 ( -7.318 -1.030 -3.435) 8.149 8.531 ( -7.318 1.030 -3.435) 8.149 9.034 ( 2.497 -4.430 3.108) 5.960 9.034 ( 2.498 4.430 3.108) 5.960 9.895 ( -4.512 -1.232 -10.655) 11.637 9.895 ( -4.512 1.232 -10.655) 11.637 10.575 ( 1.273 -2.569 3.735) 4.709 10.575 ( 1.273 2.569 3.735) 4.709 11.154 ( 3.588 -11.433 5.864) 13.341 11.154 ( 3.588 11.433 5.864) 13.341 11.826 ( -4.442 -1.585 -0.906) 4.802 11.826 ( -4.442 1.585 -0.906) 4.802 12.571 ( -5.916 -3.255 -4.596) 8.168 12.571 ( -5.916 3.255 -4.596) 8.168 13.415 ( 7.220 -10.510 5.360) 13.831 13.415 ( 7.220 10.510 5.360) 13.831 14.342 ( -5.480 -4.309 -10.666) 12.742 14.342 ( -5.480 4.309 -10.666) 12.742 14.660 ( 3.026 -1.212 -4.794) 5.797 14.660 ( 3.026 1.212 -4.794) 5.797 15.633 ( -6.225 -5.661 -13.555) 15.954 15.633 ( -6.225 5.661 -13.555) 15.954 16.876 ( -0.225 -18.832 7.064) 20.115 16.876 ( -0.225 18.832 7.064) 20.115 18.069 ( 2.443 -2.329 11.923) 12.392 18.069 ( 2.443 2.329 11.923) 12.392 24.859 ( -2.478 -2.400 -1.576) 3.793 24.859 ( -2.478 2.400 -1.576) 3.793 26.871 ( 1.164 -3.442 0.263) 3.643 26.871 ( 1.164 3.442 0.263) 3.643 28.460 ( 0.895 -4.030 -4.185) 5.878 28.460 ( 0.895 4.030 -4.185) 5.878 28.743 ( -0.682 -5.132 -0.475) 5.199 28.743 ( -0.682 5.132 -0.475) 5.199 29.046 ( -0.485 -3.250 -4.398) 5.490 29.046 ( -0.485 3.250 -4.398) 5.490 29.817 ( -0.658 -4.054 1.807) 4.487 29.817 ( -0.658 4.054 1.807) 4.487 30.752 ( 3.990 -23.339 7.102) 24.720 30.752 ( 3.990 23.339 7.102) 24.720 ======================= Grid point 199 (108/156) ======================= q-point: (-0.45 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -10.247 -10.820 -7.741) 16.792 2.752 ( -10.247 10.820 -7.741) 16.792 3.309 ( -30.284 -8.726 1.094) 31.535 3.309 ( -30.284 8.726 1.094) 31.535 3.711 ( 10.469 -8.147 3.228) 13.653 3.711 ( 10.469 8.147 3.228) 13.653 4.307 ( 9.963 -8.886 -1.909) 13.486 4.307 ( 9.963 8.886 -1.909) 13.486 5.113 ( -1.647 -5.260 3.873) 6.737 5.113 ( -1.647 5.260 3.873) 6.737 5.335 ( 6.432 -2.929 0.734) 7.105 5.335 ( 6.432 2.929 0.734) 7.105 5.483 ( -6.646 -9.442 -11.679) 16.423 5.483 ( -6.646 9.442 -11.679) 16.423 5.702 ( 10.393 -3.964 6.963) 13.123 5.702 ( 10.393 3.964 6.963) 13.123 6.133 ( 3.480 -7.749 -8.805) 12.235 6.133 ( 3.480 7.749 -8.805) 12.235 6.369 ( -1.581 -8.007 6.385) 10.363 6.369 ( -1.581 8.007 6.385) 10.363 7.065 ( 2.518 -9.478 0.529) 9.821 7.065 ( 2.518 9.478 0.529) 9.821 7.413 ( 2.186 -2.444 8.638) 9.240 7.413 ( 2.186 2.444 8.638) 9.240 8.395 ( -4.259 -2.838 -3.888) 6.427 8.395 ( -4.259 2.838 -3.888) 6.427 8.485 ( 1.236 -4.125 4.120) 5.960 8.485 ( 1.236 4.125 4.120) 5.960 9.121 ( 4.296 -4.425 3.743) 7.214 9.121 ( 4.296 4.425 3.743) 7.214 9.728 ( -6.175 -2.013 -9.959) 11.890 9.728 ( -6.175 2.013 -9.959) 11.890 10.624 ( 1.603 -1.209 2.826) 3.467 10.624 ( 1.603 1.209 2.826) 3.467 11.252 ( 3.421 -11.374 4.937) 12.862 11.252 ( 3.421 11.374 4.937) 12.862 11.784 ( -0.363 -3.980 0.215) 4.003 11.784 ( -0.363 3.980 0.215) 4.003 12.435 ( -5.620 -3.311 -3.979) 7.641 12.435 ( -5.620 3.311 -3.979) 7.641 13.554 ( 4.171 -9.615 4.924) 11.579 13.554 ( 4.171 9.615 4.924) 11.579 14.151 ( -7.391 -3.988 -11.177) 13.981 14.151 ( -7.391 3.988 -11.177) 13.981 14.681 ( 2.062 -0.287 -4.167) 4.658 14.681 ( 2.062 0.287 -4.167) 4.658 15.470 ( -3.182 -1.073 -9.610) 10.180 15.470 ( -3.182 1.073 -9.610) 10.180 16.929 ( 1.750 -19.733 4.964) 20.423 16.929 ( 1.750 19.733 4.964) 20.423 18.203 ( 4.604 -3.010 9.986) 11.401 18.203 ( 4.604 3.010 9.986) 11.401 24.820 ( -0.803 -2.419 -1.176) 2.807 24.820 ( -0.803 2.419 -1.176) 2.807 26.886 ( 0.404 -3.744 0.089) 3.767 26.886 ( 0.404 3.744 0.089) 3.767 28.444 ( 0.236 -3.488 -3.787) 5.154 28.444 ( 0.236 3.488 -3.787) 5.154 28.709 ( -2.190 -2.439 -1.965) 3.822 28.709 ( -2.190 2.439 -1.965) 3.822 29.011 ( -1.602 -2.918 -1.537) 3.667 29.011 ( -1.602 2.918 -1.537) 3.667 29.818 ( -0.080 -2.854 1.308) 3.140 29.818 ( -0.080 2.854 1.308) 3.140 30.874 ( 4.893 -25.761 5.429) 26.778 30.874 ( 4.893 25.761 5.429) 26.778 ======================= Grid point 201 (109/156) ======================= q-point: (-0.36 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -8.162 -12.587 -1.071) 15.040 2.551 ( -8.162 12.587 -1.071) 15.040 2.806 ( -25.557 -2.844 3.175) 25.910 2.806 ( -25.557 2.844 3.175) 25.910 3.860 ( 4.592 -11.037 -0.617) 11.970 3.860 ( 4.592 11.037 -0.617) 11.970 4.444 ( 4.552 -8.792 3.283) 10.430 4.444 ( 4.552 8.792 3.283) 10.430 5.084 ( -3.852 -2.477 2.991) 5.469 5.084 ( -3.852 2.477 2.991) 5.469 5.275 ( -4.240 -4.579 -9.616) 11.464 5.275 ( -4.240 4.579 -9.616) 11.464 5.526 ( 8.111 -0.576 2.788) 8.596 5.526 ( 8.111 0.576 2.788) 8.596 5.870 ( 3.261 -4.722 2.790) 6.381 5.870 ( 3.261 4.722 2.790) 6.381 6.224 ( 10.068 -6.601 -6.591) 13.725 6.224 ( 10.068 6.601 -6.591) 13.725 6.369 ( 1.100 -12.585 3.327) 13.064 6.369 ( 1.100 12.585 3.327) 13.064 7.097 ( 1.476 -9.180 -3.063) 9.789 7.097 ( 1.476 9.180 -3.063) 9.789 7.475 ( -1.418 -3.013 7.275) 8.001 7.475 ( -1.418 3.013 7.275) 8.001 8.340 ( 0.826 -10.104 -3.742) 10.806 8.340 ( 0.826 10.104 -3.742) 10.806 8.516 ( 0.369 -10.597 4.301) 11.442 8.516 ( 0.369 10.597 4.301) 11.442 9.210 ( 3.488 -1.333 0.444) 3.761 9.210 ( 3.488 1.333 0.444) 3.761 9.584 ( -3.344 -6.021 -4.991) 8.506 9.584 ( -3.344 6.021 -4.991) 8.506 10.661 ( 1.011 -1.222 1.165) 1.968 10.661 ( 1.011 1.222 1.165) 1.968 11.330 ( 2.490 -7.753 2.037) 8.394 11.330 ( 2.490 7.753 2.037) 8.394 11.802 ( 1.712 -4.557 0.695) 4.917 11.802 ( 1.712 4.557 0.695) 4.917 12.337 ( -3.683 -3.157 0.656) 4.895 12.337 ( -3.683 3.157 0.656) 4.895 13.592 ( -2.194 -9.316 -2.303) 9.844 13.592 ( -2.194 9.316 -2.303) 9.844 13.988 ( -4.040 -6.622 -1.925) 7.992 13.988 ( -4.040 6.622 -1.925) 7.992 14.675 ( 0.305 -0.577 -4.395) 4.443 14.675 ( 0.305 0.577 -4.395) 4.443 15.401 ( 0.332 -7.672 -5.156) 9.250 15.401 ( 0.332 7.672 -5.156) 9.250 16.997 ( 3.014 -19.209 2.947) 19.666 16.997 ( 3.014 19.209 2.947) 19.666 18.347 ( 5.479 -3.804 5.864) 8.882 18.347 ( 5.479 3.804 5.864) 8.882 24.816 ( 0.709 -3.309 0.071) 3.385 24.816 ( 0.709 3.309 0.071) 3.385 26.885 ( -0.602 -3.945 -0.334) 4.005 26.885 ( -0.602 3.945 -0.334) 4.005 28.419 ( -0.849 -2.836 -3.574) 4.641 28.419 ( -0.849 2.836 -3.574) 4.641 28.653 ( -2.495 -2.610 -0.744) 3.687 28.653 ( -2.495 2.610 -0.744) 3.687 28.967 ( -2.490 -4.337 -0.366) 5.015 28.967 ( -2.490 4.337 -0.366) 5.015 29.835 ( 1.125 -1.863 1.153) 2.463 29.835 ( 1.125 1.863 1.153) 2.463 30.984 ( 4.351 -25.776 2.026) 26.219 30.984 ( 4.351 25.776 2.026) 26.219 ======================= Grid point 203 (110/156) ======================= q-point: (-0.27 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -11.145 -14.747 3.720) 18.855 2.420 ( -11.145 14.747 3.720) 18.855 2.509 ( -7.031 -5.513 9.803) 13.264 2.509 ( -7.031 5.513 9.803) 13.264 3.875 ( -1.508 -9.650 -2.174) 10.006 3.875 ( -1.508 9.650 -2.174) 10.006 4.486 ( -3.015 -6.613 2.657) 7.738 4.486 ( -3.015 6.613 2.657) 7.738 5.013 ( -2.873 -4.372 -2.532) 5.812 5.013 ( -2.873 4.372 -2.532) 5.812 5.199 ( -1.558 -3.554 0.071) 3.881 5.199 ( -1.558 3.554 0.071) 3.881 5.656 ( 3.718 -4.038 1.713) 5.750 5.656 ( 3.718 4.038 1.713) 5.750 5.887 ( -1.172 -6.108 1.379) 6.370 5.887 ( -1.172 6.108 1.379) 6.370 6.293 ( 3.028 -8.639 2.789) 9.570 6.293 ( 3.028 8.639 2.789) 9.570 6.535 ( 12.142 -3.097 -2.889) 12.859 6.535 ( 12.142 3.097 -2.889) 12.859 7.068 ( -0.630 -6.934 -9.099) 11.457 7.068 ( -0.630 6.934 -9.099) 11.457 7.443 ( -5.696 -2.734 3.896) 7.423 7.443 ( -5.696 2.734 3.896) 7.423 8.353 ( 2.282 -19.310 -5.103) 20.103 8.353 ( 2.282 19.310 -5.103) 20.103 8.557 ( 0.642 -16.172 3.592) 16.578 8.557 ( 0.642 16.172 3.592) 16.578 9.266 ( 5.493 -4.057 -4.994) 8.460 9.266 ( 5.493 4.057 -4.994) 8.460 9.584 ( 4.318 -7.768 3.561) 9.575 9.584 ( 4.318 7.768 3.561) 9.575 10.676 ( 0.783 -1.750 -1.208) 2.266 10.676 ( 0.783 1.750 -1.208) 2.266 11.363 ( 1.332 -4.418 -2.429) 5.214 11.363 ( 1.332 4.418 -2.429) 5.214 11.836 ( 1.099 -3.334 0.416) 3.535 11.836 ( 1.099 3.334 0.416) 3.535 12.325 ( -0.658 -3.511 9.033) 9.713 12.325 ( -0.658 3.511 9.033) 9.713 13.463 ( -5.972 -9.477 -8.750) 14.214 13.463 ( -5.972 9.477 -8.750) 14.214 13.994 ( 0.906 -5.743 8.574) 10.360 13.994 ( 0.906 5.743 8.574) 10.360 14.645 ( -0.498 -1.059 -3.758) 3.936 14.645 ( -0.498 1.059 -3.758) 3.936 15.399 ( 1.261 -12.017 -1.626) 12.192 15.399 ( 1.261 12.017 -1.626) 12.192 17.076 ( 4.144 -16.212 1.625) 16.812 17.076 ( 4.144 16.212 1.625) 16.812 18.459 ( 4.268 -4.143 0.307) 5.957 18.459 ( 4.268 4.143 0.307) 5.957 24.846 ( 1.868 -4.272 2.055) 5.095 24.846 ( 1.868 4.272 2.055) 5.095 26.856 ( -2.204 -3.874 -0.977) 4.563 26.856 ( -2.204 3.874 -0.977) 4.563 28.356 ( -3.660 -3.515 -3.354) 6.082 28.356 ( -3.660 3.515 -3.354) 6.082 28.631 ( -0.338 -5.428 2.152) 5.849 28.631 ( -0.338 5.428 2.152) 5.849 28.930 ( -0.955 -5.371 0.019) 5.455 28.930 ( -0.955 5.371 0.019) 5.455 29.869 ( 1.917 -1.768 0.806) 2.729 29.869 ( 1.917 1.768 0.806) 2.729 31.040 ( 1.522 -23.421 -2.562) 23.610 31.040 ( 1.522 23.421 -2.562) 23.610 ======================= Grid point 205 (111/156) ======================= q-point: (-0.18 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -4.167 -13.315 8.451) 16.312 2.304 ( -4.167 13.315 8.451) 16.312 2.566 ( 2.604 -10.836 13.825) 17.757 2.566 ( 2.604 10.836 13.825) 17.757 3.793 ( -6.086 -4.196 -1.505) 7.544 3.793 ( -6.086 4.196 -1.505) 7.544 4.372 ( -8.530 -6.060 -1.788) 10.615 4.372 ( -8.530 6.060 -1.788) 10.615 4.970 ( -1.683 -7.294 -0.599) 7.510 4.970 ( -1.683 7.294 -0.599) 7.510 5.181 ( -1.177 -1.798 0.699) 2.260 5.181 ( -1.177 1.798 0.699) 2.260 5.672 ( -2.514 -4.325 4.250) 6.564 5.672 ( -2.514 4.325 4.250) 6.564 5.915 ( 3.408 -4.196 3.061) 6.212 5.915 ( 3.408 4.196 3.061) 6.212 6.402 ( 5.550 -7.617 0.771) 9.456 6.402 ( 5.550 7.617 0.771) 9.456 6.684 ( 5.894 -2.471 -2.087) 6.723 6.684 ( 5.894 2.471 -2.087) 6.723 6.969 ( -1.763 -6.644 -11.843) 13.694 6.969 ( -1.763 6.644 -11.843) 13.694 7.343 ( -6.480 -0.462 1.245) 6.615 7.343 ( -6.480 0.462 1.245) 6.615 8.293 ( -5.341 -22.769 -8.412) 24.854 8.293 ( -5.341 22.769 -8.412) 24.854 8.590 ( 1.145 -12.862 4.366) 13.631 8.590 ( 1.145 12.862 4.366) 13.631 9.338 ( 6.489 -9.106 -10.119) 15.081 9.338 ( 6.489 9.106 -10.119) 15.081 9.789 ( 12.997 -1.750 8.373) 15.559 9.789 ( 12.997 1.750 8.373) 15.559 10.682 ( 2.194 -1.204 -4.110) 4.812 10.682 ( 2.194 1.204 -4.110) 4.812 11.348 ( 0.692 -6.063 -8.793) 10.703 11.348 ( 0.692 6.063 -8.793) 10.703 11.844 ( -1.443 -5.717 4.885) 7.657 11.844 ( -1.443 5.717 4.885) 7.657 12.422 ( 2.412 -4.209 15.108) 15.868 12.422 ( 2.412 4.209 15.108) 15.868 13.327 ( -2.463 -10.010 -8.231) 13.191 13.327 ( -2.463 10.010 -8.231) 13.191 14.092 ( 2.219 -1.780 12.135) 12.464 14.092 ( 2.219 1.780 12.135) 12.464 14.619 ( -0.117 -1.539 -2.207) 2.693 14.619 ( -0.117 1.539 -2.207) 2.693 15.415 ( 0.540 -11.952 1.175) 12.022 15.415 ( 0.540 11.952 1.175) 12.022 17.169 ( 5.235 -10.332 1.256) 11.650 17.169 ( 5.235 10.332 1.256) 11.650 18.492 ( 0.946 -3.568 -5.429) 6.566 18.492 ( 0.946 3.568 -5.429) 6.566 24.907 ( 2.577 -4.562 4.419) 6.854 24.907 ( 2.577 4.562 4.419) 6.854 26.794 ( -3.639 -3.412 -1.567) 5.229 26.794 ( -3.639 3.412 -1.567) 5.229 28.259 ( -4.566 -3.673 -2.436) 6.347 28.259 ( -4.566 3.673 -2.436) 6.347 28.650 ( -0.048 -5.945 3.533) 6.916 28.650 ( -0.048 5.945 3.533) 6.916 28.954 ( 3.386 -4.422 1.720) 5.829 28.954 ( 3.386 4.422 1.720) 5.829 29.911 ( 2.324 -2.803 0.125) 3.644 29.911 ( 2.324 2.803 0.125) 3.644 30.992 ( -3.604 -18.068 -7.687) 19.963 30.992 ( -3.604 18.068 -7.687) 19.963 ======================= Grid point 207 (112/156) ======================= q-point: (-0.09 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 3.652 -18.856 11.924) 22.607 2.368 ( 3.652 18.856 11.924) 22.607 2.731 ( 4.971 -19.143 13.506) 23.950 2.731 ( 4.971 19.143 13.506) 23.950 3.641 ( -9.302 -1.206 -1.592) 9.514 3.641 ( -9.302 1.206 -1.592) 9.514 4.214 ( -6.859 -5.783 -0.311) 8.977 4.214 ( -6.859 5.783 -0.311) 8.977 4.920 ( -2.662 -9.479 -2.905) 10.265 4.920 ( -2.662 9.479 -2.905) 10.265 5.180 ( 1.369 -2.537 0.618) 2.948 5.180 ( 1.369 2.537 0.618) 2.948 5.666 ( -2.226 -3.396 6.697) 7.832 5.666 ( -2.226 3.396 6.697) 7.832 6.024 ( 5.119 -3.331 4.108) 7.360 6.024 ( 5.119 3.331 4.108) 7.360 6.427 ( -1.221 -5.254 -4.608) 7.094 6.427 ( -1.221 5.254 -4.608) 7.094 6.696 ( -2.788 -7.573 -3.600) 8.836 6.696 ( -2.788 7.573 -3.600) 8.836 6.947 ( 5.690 -3.286 -5.478) 8.554 6.947 ( 5.690 3.286 -5.478) 8.554 7.257 ( -2.186 -1.009 -0.190) 2.415 7.257 ( -2.186 1.009 -0.190) 2.415 8.080 ( -10.100 -13.588 -11.483) 20.457 8.080 ( -10.100 13.588 -11.483) 20.457 8.646 ( 0.875 -10.678 6.079) 12.318 8.646 ( 0.875 10.678 6.079) 12.318 9.364 ( 4.111 -11.626 -11.554) 16.899 9.364 ( 4.111 11.626 -11.554) 16.899 10.049 ( 7.640 -5.274 7.821) 12.139 10.049 ( 7.640 5.274 7.821) 12.139 10.718 ( 5.287 -1.884 -6.483) 8.575 10.718 ( 5.287 1.884 -6.483) 8.575 11.268 ( -1.761 -8.965 -13.740) 16.500 11.268 ( -1.761 8.965 -13.740) 16.500 11.876 ( 0.210 -6.354 10.816) 12.546 11.876 ( 0.210 6.354 10.816) 12.546 12.575 ( 3.668 -4.078 14.392) 15.402 12.575 ( 3.668 4.078 14.392) 15.402 13.276 ( 1.170 -8.907 -5.925) 10.761 13.276 ( 1.170 8.907 -5.925) 10.761 14.193 ( -0.440 -3.790 11.618) 12.228 14.193 ( -0.440 3.790 11.618) 12.228 14.635 ( 3.497 -3.492 0.279) 4.950 14.635 ( 3.497 3.492 0.279) 4.950 15.439 ( 0.809 -7.833 3.348) 8.557 15.439 ( 0.809 7.833 3.348) 8.557 17.278 ( 5.561 -6.233 1.934) 8.574 17.278 ( 5.561 6.233 1.934) 8.574 18.422 ( -3.419 -2.626 -9.640) 10.560 18.422 ( -3.419 2.626 -9.640) 10.560 24.990 ( 2.754 -3.696 6.252) 7.767 24.990 ( 2.754 3.696 6.252) 7.767 26.716 ( -3.498 -2.369 -1.751) 4.573 26.716 ( -3.498 2.369 -1.751) 4.573 28.179 ( -2.330 -3.047 -1.935) 4.296 28.179 ( -2.330 3.047 -1.935) 4.296 28.666 ( -0.572 -4.927 3.420) 6.025 28.666 ( -0.572 4.927 3.420) 6.025 29.066 ( 6.007 -2.161 5.142) 8.197 29.066 ( 6.007 2.161 5.142) 8.197 29.952 ( 2.373 -4.355 -1.240) 5.112 29.952 ( 2.373 4.355 -1.240) 5.112 30.817 ( -8.515 -9.612 -11.584) 17.295 30.817 ( -8.515 9.612 -11.584) 17.295 ======================= Grid point 231 (113/156) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -5.178 0.000 18.622) 19.329 2.223 ( -9.602 0.000 23.590) 25.469 2.769 ( -0.838 0.000 -6.100) 6.157 2.784 ( 8.370 0.000 -13.309) 15.722 3.625 ( 2.739 0.000 7.073) 7.585 4.153 ( 4.718 0.000 36.924) 37.225 4.214 ( 3.699 0.000 1.229) 3.898 4.403 ( -3.446 0.000 2.027) 3.998 4.744 ( -4.890 0.000 -21.060) 21.620 5.070 ( -7.594 0.000 -16.212) 17.903 5.083 ( 1.827 0.000 3.305) 3.776 5.336 ( -0.517 0.000 -2.553) 2.605 5.416 ( 8.948 0.000 -9.584) 13.112 5.620 ( -1.186 0.000 -0.891) 1.484 5.928 ( -9.508 0.000 8.618) 12.832 5.952 ( -1.997 0.000 1.220) 2.340 6.053 ( -0.206 0.000 -0.060) 0.215 6.328 ( 12.879 0.000 -9.183) 15.818 6.617 ( -3.947 0.000 -4.967) 6.344 6.701 ( 2.329 0.000 2.713) 3.575 7.056 ( -3.326 0.000 -3.271) 4.665 7.219 ( 6.405 0.000 4.784) 7.994 7.343 ( -0.125 0.000 0.405) 0.424 7.617 ( 1.001 0.000 0.663) 1.200 7.758 ( -10.281 0.000 -9.038) 13.689 8.050 ( 2.401 0.000 0.714) 2.505 8.239 ( 3.317 0.000 -0.916) 3.441 8.458 ( -0.481 0.000 0.260) 0.546 9.378 ( -2.272 0.000 -1.079) 2.515 9.410 ( -10.758 0.000 17.371) 20.433 9.883 ( 10.109 0.000 -17.629) 20.322 10.074 ( -0.447 0.000 2.076) 2.124 10.600 ( 0.005 0.000 0.671) 0.671 10.779 ( -0.993 0.000 -3.097) 3.252 11.312 ( 4.256 0.000 3.131) 5.284 11.440 ( 3.570 0.000 0.406) 3.593 11.935 ( -7.654 0.000 0.263) 7.659 12.255 ( -0.632 0.000 6.076) 6.109 12.707 ( 2.117 0.000 -4.449) 4.927 12.732 ( 4.786 0.000 0.901) 4.870 12.921 ( 0.289 0.000 -0.240) 0.376 13.149 ( -8.284 0.000 6.712) 10.662 14.456 ( -0.524 0.000 1.153) 1.267 14.510 ( -0.652 0.000 -3.130) 3.197 15.143 ( 7.719 0.000 0.853) 7.766 15.245 ( -4.160 0.000 -4.345) 6.016 15.430 ( 8.735 0.000 22.506) 24.142 16.028 ( 0.879 0.000 -13.674) 13.702 16.395 ( 2.351 0.000 -1.901) 3.024 17.483 ( -2.681 0.000 2.483) 3.654 17.994 ( -1.054 0.000 -3.685) 3.833 18.177 ( -0.358 0.000 -3.626) 3.644 25.211 ( -0.432 0.000 2.585) 2.621 25.826 ( 9.995 0.000 -2.561) 10.318 26.720 ( 5.654 0.000 0.703) 5.698 26.745 ( -6.182 0.000 -0.821) 6.236 28.102 ( -1.054 0.000 0.470) 1.154 28.176 ( 0.548 0.000 -1.050) 1.184 28.258 ( 0.244 0.000 -0.324) 0.405 28.298 ( 0.444 0.000 0.225) 0.498 29.191 ( -0.282 0.000 2.152) 2.170 29.512 ( 1.671 0.000 18.542) 18.617 29.737 ( -3.735 0.000 -1.422) 3.997 29.982 ( -1.065 0.000 -19.712) 19.740 30.219 ( -4.276 0.000 0.784) 4.347 30.620 ( -3.808 0.000 -0.255) 3.817 ======================= Grid point 232 (114/156) ======================= q-point: ( 0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 12.809 0.000 16.515) 20.900 2.284 ( 0.958 0.000 20.107) 20.130 2.851 ( 13.117 0.000 -3.392) 13.548 2.851 ( 8.255 0.000 -13.969) 16.226 3.655 ( -1.625 0.000 -3.021) 3.431 4.143 ( -10.758 0.000 -7.882) 13.336 4.315 ( -4.593 0.000 8.027) 9.249 4.367 ( -3.543 0.000 9.436) 10.080 4.615 ( 0.110 0.000 -0.208) 0.236 4.995 ( 6.899 0.000 -2.212) 7.245 5.097 ( -0.858 0.000 -1.712) 1.915 5.336 ( 1.069 0.000 -0.197) 1.087 5.583 ( 13.936 0.000 -9.291) 16.749 5.627 ( 1.765 0.000 -1.429) 2.271 5.731 ( -13.272 0.000 8.679) 15.858 5.956 ( 0.730 0.000 3.354) 3.432 6.091 ( 4.118 0.000 0.639) 4.167 6.447 ( -4.343 0.000 4.102) 5.974 6.543 ( 5.751 0.000 -13.718) 14.874 6.722 ( -0.170 0.000 -3.574) 3.578 7.053 ( 2.683 0.000 5.172) 5.826 7.160 ( -13.392 0.000 -3.269) 13.785 7.239 ( -4.908 0.000 -3.543) 6.053 7.510 ( -11.998 0.000 -2.065) 12.174 7.793 ( 11.077 0.000 11.138) 15.709 8.150 ( 7.607 0.000 -1.714) 7.798 8.175 ( -5.209 0.000 -4.360) 6.792 8.576 ( 10.215 0.000 -0.615) 10.234 9.249 ( -17.859 0.000 16.688) 24.442 9.463 ( 9.747 0.000 3.402) 10.324 9.871 ( 0.189 0.000 -15.783) 15.784 10.045 ( -4.089 0.000 1.249) 4.276 10.571 ( -3.286 0.000 -0.619) 3.344 10.751 ( -0.943 0.000 1.041) 1.405 11.321 ( -2.367 0.000 -6.623) 7.033 11.430 ( -2.137 0.000 -5.433) 5.838 11.860 ( -3.727 0.000 11.937) 12.505 12.405 ( 9.721 0.000 6.435) 11.658 12.623 ( -4.405 0.000 -6.075) 7.503 12.829 ( 5.698 0.000 -5.808) 8.136 12.897 ( -1.405 0.000 -0.580) 1.520 13.160 ( 0.668 0.000 13.301) 13.318 14.472 ( -0.251 0.000 2.728) 2.740 14.486 ( 0.834 0.000 -1.634) 1.834 15.115 ( -3.844 0.000 -8.159) 9.019 15.285 ( 5.730 0.000 1.260) 5.867 15.520 ( -7.159 0.000 -6.732) 9.827 15.855 ( -9.226 0.000 -6.007) 11.009 16.376 ( -2.072 0.000 -4.605) 5.050 17.489 ( 0.427 0.000 5.412) 5.429 17.939 ( -3.017 0.000 0.683) 3.094 18.153 ( -1.178 0.000 0.687) 1.363 25.144 ( -6.916 0.000 0.044) 6.916 25.811 ( -5.580 0.000 -11.650) 12.917 26.675 ( -0.083 0.000 -0.896) 0.900 26.915 ( 11.579 0.000 0.954) 11.619 28.095 ( -0.315 0.000 1.338) 1.374 28.173 ( -2.370 0.000 -1.372) 2.739 28.203 ( 2.881 0.000 -0.741) 2.975 28.409 ( 6.771 0.000 -1.732) 6.989 29.097 ( -7.700 0.000 2.536) 8.107 29.611 ( -2.018 0.000 10.220) 10.418 29.746 ( 2.343 0.000 3.918) 4.565 29.818 ( -4.600 0.000 -11.665) 12.540 30.220 ( -0.286 0.000 4.095) 4.105 30.736 ( 13.111 0.000 7.593) 15.151 ======================= Grid point 233 (115/156) ======================= q-point: ( 0.18 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 8.661 0.000 13.024) 15.641 2.492 ( 16.863 0.000 10.315) 19.767 2.892 ( 2.764 0.000 -7.702) 8.183 3.172 ( 22.904 0.000 -2.265) 23.015 3.555 ( -3.941 0.000 -9.198) 10.007 3.809 ( -16.207 0.000 -12.284) 20.336 4.192 ( -3.705 0.000 -12.950) 13.470 4.288 ( -8.243 0.000 1.135) 8.321 4.785 ( 7.982 0.000 22.954) 24.302 5.048 ( -1.598 0.000 -5.095) 5.340 5.160 ( 8.707 0.000 0.376) 8.715 5.348 ( -0.513 0.000 1.380) 1.472 5.457 ( -11.896 0.000 1.007) 11.939 5.739 ( 4.639 0.000 9.285) 10.379 5.805 ( 8.251 0.000 -9.046) 12.244 6.004 ( 1.436 0.000 3.642) 3.914 6.186 ( 5.282 0.000 -0.104) 5.283 6.281 ( -16.936 0.000 11.924) 20.713 6.530 ( -2.029 0.000 -12.083) 12.252 6.701 ( 1.824 0.000 -2.360) 2.983 6.933 ( -3.364 0.000 -6.290) 7.133 7.128 ( -3.953 0.000 -7.802) 8.747 7.177 ( 4.930 0.000 8.679) 9.981 7.249 ( -11.155 0.000 -3.273) 11.625 8.060 ( -3.339 0.000 -5.955) 6.827 8.133 ( 14.662 0.000 16.130) 21.798 8.290 ( 6.682 0.000 4.784) 8.218 8.751 ( 9.062 0.000 -2.123) 9.307 9.016 ( -16.635 0.000 12.371) 20.731 9.691 ( 10.096 0.000 3.069) 10.552 9.706 ( -8.626 0.000 -11.195) 14.133 9.947 ( -6.551 0.000 1.544) 6.730 10.493 ( -3.505 0.000 -2.011) 4.041 10.742 ( -1.024 0.000 0.781) 1.288 11.212 ( -4.217 0.000 -4.608) 6.246 11.325 ( -3.294 0.000 -9.900) 10.434 11.921 ( 0.558 0.000 13.434) 13.445 12.397 ( -10.591 0.000 5.577) 11.970 12.749 ( 15.631 0.000 -2.543) 15.836 12.782 ( -4.490 0.000 -2.838) 5.312 12.938 ( 5.252 0.000 -6.858) 8.638 13.271 ( 1.813 0.000 13.510) 13.631 14.437 ( -3.005 0.000 -0.576) 3.059 14.546 ( 3.086 0.000 3.056) 4.343 15.013 ( -0.854 0.000 -9.073) 9.113 15.181 ( -13.426 0.000 -27.904) 30.966 15.386 ( 5.343 0.000 -0.052) 5.344 15.582 ( -18.289 0.000 -7.439) 19.744 16.270 ( -5.722 0.000 -6.094) 8.360 17.548 ( 1.308 0.000 6.985) 7.107 17.930 ( -0.052 0.000 6.860) 6.860 18.172 ( 0.357 0.000 8.856) 8.863 24.999 ( -7.106 0.000 -3.436) 7.893 25.570 ( -11.823 0.000 -9.462) 15.143 26.701 ( 3.094 0.000 -0.777) 3.190 27.078 ( 4.815 0.000 2.752) 5.546 28.108 ( 0.678 0.000 1.713) 1.842 28.201 ( 7.409 0.000 -5.443) 9.193 28.268 ( 4.523 0.000 -0.119) 4.525 28.497 ( 4.705 0.000 -3.285) 5.738 29.029 ( -1.887 0.000 2.657) 3.259 29.496 ( -6.878 0.000 -15.406) 16.871 29.752 ( -4.988 0.000 13.801) 14.675 29.808 ( 2.372 0.000 1.556) 2.837 30.185 ( -4.674 0.000 -0.000) 4.674 31.129 ( 18.247 0.000 19.035) 26.368 ======================= Grid point 234 (116/156) ======================= q-point: ( 0.27 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -12.174 0.000 8.588) 14.898 2.762 ( 9.396 0.000 -5.537) 10.906 2.839 ( 2.093 0.000 0.587) 2.174 3.441 ( 3.163 0.000 -17.146) 17.435 3.533 ( -5.535 0.000 -9.396) 10.905 3.561 ( 19.938 0.000 -6.541) 20.983 4.109 ( 2.679 0.000 -4.970) 5.646 4.129 ( -9.732 0.000 2.378) 10.018 4.961 ( -1.490 0.000 -4.272) 4.525 5.113 ( 7.737 0.000 18.548) 20.097 5.227 ( -1.597 0.000 -1.340) 2.085 5.347 ( -0.385 0.000 6.800) 6.811 5.359 ( 2.558 0.000 -1.709) 3.076 5.693 ( -13.761 0.000 -7.644) 15.741 5.851 ( 1.430 0.000 3.422) 3.709 6.024 ( -0.897 0.000 -0.297) 0.945 6.079 ( -9.430 0.000 9.954) 13.712 6.259 ( 3.445 0.000 -1.577) 3.789 6.334 ( -11.016 0.000 -5.344) 12.244 6.799 ( 7.318 0.000 6.746) 9.953 6.915 ( -8.801 0.000 -5.948) 10.622 7.057 ( 12.244 0.000 -2.819) 12.564 7.164 ( 3.287 0.000 -6.901) 7.644 7.310 ( 3.607 0.000 8.113) 8.879 7.994 ( 1.094 0.000 -7.776) 7.852 8.415 ( 6.124 0.000 7.091) 9.370 8.502 ( 9.561 0.000 20.925) 23.006 8.747 ( -11.207 0.000 4.887) 12.226 8.940 ( 4.755 0.000 -0.574) 4.790 9.439 ( -14.090 0.000 -6.411) 15.480 9.680 ( -5.756 0.000 -11.242) 12.630 9.964 ( 1.430 0.000 9.557) 9.664 10.461 ( 1.448 0.000 -0.103) 1.452 10.737 ( 0.864 0.000 -0.385) 0.946 11.118 ( -5.619 0.000 2.083) 5.993 11.222 ( -0.004 0.000 -10.933) 10.933 12.029 ( 2.944 0.000 10.593) 10.994 12.230 ( -11.296 0.000 4.158) 12.037 12.686 ( -4.142 0.000 -2.006) 4.603 12.941 ( 3.885 0.000 3.527) 5.247 12.956 ( 2.191 0.000 -8.884) 9.150 13.410 ( 6.673 0.000 7.406) 9.969 14.349 ( -6.105 0.000 -2.842) 6.734 14.585 ( -1.827 0.000 -2.650) 3.219 14.802 ( -6.771 0.000 -26.453) 27.306 14.992 ( 4.907 0.000 -8.263) 9.610 15.162 ( -17.416 0.000 -12.712) 21.562 15.487 ( 6.002 0.000 -0.571) 6.029 16.100 ( -8.755 0.000 -6.328) 10.802 17.608 ( 0.159 0.000 7.017) 7.019 18.009 ( 1.772 0.000 11.065) 11.206 18.269 ( 1.989 0.000 13.651) 13.795 24.865 ( -4.531 0.000 -4.845) 6.634 25.310 ( -11.019 0.000 -5.887) 12.493 26.765 ( 4.070 0.000 -0.358) 4.086 27.143 ( 0.711 0.000 4.097) 4.158 28.138 ( 1.393 0.000 1.756) 2.241 28.332 ( 10.493 0.000 -7.465) 12.878 28.359 ( 5.319 0.000 0.501) 5.343 28.540 ( 2.513 0.000 -3.542) 4.343 29.033 ( 0.192 0.000 1.332) 1.346 29.258 ( -7.811 0.000 -15.629) 17.472 29.743 ( -5.847 0.000 13.861) 15.043 29.850 ( 1.994 0.000 -1.192) 2.323 30.080 ( -5.434 0.000 -1.959) 5.776 31.551 ( 13.218 0.000 21.624) 25.344 ======================= Grid point 235 (117/156) ======================= q-point: ( 0.36 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -31.623 0.000 4.237) 31.906 2.736 ( -1.192 0.000 -24.010) 24.039 2.989 ( 8.447 0.000 -1.294) 8.545 3.422 ( -2.901 0.000 -5.673) 6.371 3.485 ( 9.714 0.000 -13.041) 16.261 3.751 ( 7.743 0.000 -8.320) 11.366 3.994 ( -7.001 0.000 4.783) 8.479 4.212 ( 3.980 0.000 9.137) 9.966 4.890 ( -2.441 0.000 -5.551) 6.064 5.209 ( -0.892 0.000 0.739) 1.158 5.242 ( 4.575 0.000 0.066) 4.575 5.345 ( -7.678 0.000 -3.917) 8.620 5.418 ( -5.199 0.000 -1.804) 5.503 5.548 ( 8.761 0.000 23.288) 24.881 5.862 ( 0.981 0.000 1.864) 2.107 5.974 ( -2.634 0.000 -3.752) 4.584 6.050 ( -0.777 0.000 -1.657) 1.830 6.108 ( -9.755 0.000 -3.235) 10.278 6.295 ( 1.564 0.000 -1.800) 2.384 6.698 ( -10.105 0.000 -5.035) 11.290 7.017 ( 8.843 0.000 13.161) 15.856 7.137 ( 0.724 0.000 -3.514) 3.588 7.360 ( 14.488 0.000 0.309) 14.491 7.400 ( 1.186 0.000 6.694) 6.798 8.006 ( 6.431 0.000 -10.616) 12.412 8.542 ( 1.248 0.000 13.606) 13.664 8.559 ( -11.455 0.000 0.699) 11.476 8.786 ( 9.476 0.000 13.934) 16.851 8.995 ( -0.758 0.000 -0.425) 0.869 9.172 ( -9.330 0.000 -3.052) 9.817 9.524 ( -1.028 0.000 -13.736) 13.775 9.969 ( -5.289 0.000 2.672) 5.925 10.525 ( 2.724 0.000 5.019) 5.711 10.775 ( 2.739 0.000 1.382) 3.068 11.039 ( -5.100 0.000 5.407) 7.432 11.210 ( 5.389 0.000 -8.164) 9.782 12.034 ( -12.527 0.000 2.010) 12.687 12.150 ( 3.930 0.000 7.375) 8.357 12.602 ( -3.767 0.000 -3.298) 5.007 12.917 ( -0.140 0.000 -8.058) 8.059 12.960 ( -3.963 0.000 7.373) 8.371 13.576 ( 7.890 0.000 0.680) 7.919 14.182 ( -8.079 0.000 -7.153) 10.791 14.369 ( -9.298 0.000 -20.987) 22.955 14.639 ( -2.215 0.000 -10.727) 10.953 14.933 ( -2.845 0.000 -1.982) 3.467 15.089 ( 10.545 0.000 -5.832) 12.050 15.583 ( 4.297 0.000 -0.765) 4.364 15.884 ( -10.471 0.000 -5.247) 11.712 17.640 ( -0.930 0.000 5.929) 6.002 18.112 ( 1.809 0.000 10.462) 10.617 18.393 ( 1.933 0.000 13.378) 13.517 24.781 ( -1.736 0.000 -4.141) 4.490 25.108 ( -8.020 0.000 -3.467) 8.737 26.834 ( 3.438 0.000 0.061) 3.438 27.169 ( -0.263 0.000 3.559) 3.569 28.177 ( 1.654 0.000 1.432) 2.188 28.457 ( 4.619 0.000 1.165) 4.763 28.462 ( 7.987 0.000 -5.934) 9.950 28.545 ( 0.815 0.000 -4.113) 4.193 29.037 ( -6.793 0.000 -12.000) 13.789 29.041 ( -0.011 0.000 0.625) 0.625 29.721 ( -4.442 0.000 9.916) 10.866 29.855 ( -0.297 0.000 -2.817) 2.833 29.993 ( -2.373 0.000 -1.515) 2.816 31.862 ( 7.759 0.000 17.374) 19.028 ======================= Grid point 236 (118/156) ======================= q-point: ( 0.45 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -12.056 0.000 -2.581) 12.329 2.485 ( -8.468 0.000 -22.076) 23.644 3.077 ( 1.594 0.000 0.011) 1.594 3.342 ( -2.587 0.000 -3.466) 4.325 3.550 ( 1.778 0.000 -4.139) 4.505 3.800 ( 3.726 0.000 -5.945) 7.016 3.953 ( 0.241 0.000 1.855) 1.871 4.307 ( 2.123 0.000 5.741) 6.121 4.813 ( -2.422 0.000 -3.592) 4.332 5.201 ( 0.352 0.000 -0.290) 0.456 5.209 ( -2.356 0.000 -3.141) 3.926 5.306 ( -2.266 0.000 8.503) 8.799 5.416 ( 3.740 0.000 -3.747) 5.295 5.828 ( 6.197 0.000 15.716) 16.894 5.895 ( -0.966 0.000 -5.991) 6.069 5.911 ( -0.756 0.000 -0.745) 1.061 5.927 ( -2.141 0.000 -0.855) 2.306 6.044 ( -0.581 0.000 -0.888) 1.061 6.284 ( -0.975 0.000 -3.844) 3.965 6.513 ( -7.679 0.000 -0.337) 7.686 7.110 ( -0.518 0.000 -4.359) 4.390 7.246 ( 5.848 0.000 14.662) 15.785 7.445 ( 0.389 0.000 4.605) 4.621 7.560 ( 5.418 0.000 3.601) 6.505 8.068 ( 5.954 0.000 -12.916) 14.222 8.342 ( -9.436 0.000 -1.929) 9.631 8.631 ( -1.709 0.000 16.010) 16.101 8.917 ( -3.488 0.000 1.002) 3.629 9.012 ( 10.625 0.000 -2.867) 11.005 9.103 ( -0.767 0.000 -0.860) 1.152 9.502 ( 5.250 0.000 -3.984) 6.591 9.825 ( -9.621 0.000 -3.069) 10.099 10.596 ( 1.669 0.000 4.150) 4.473 10.827 ( 1.106 0.000 3.165) 3.353 11.030 ( 0.116 0.000 5.705) 5.706 11.285 ( 4.693 0.000 -3.399) 5.795 11.835 ( -7.898 0.000 -0.317) 7.905 12.253 ( 2.909 0.000 5.100) 5.872 12.500 ( -4.036 0.000 -6.408) 7.573 12.866 ( -1.077 0.000 -3.876) 4.023 12.931 ( -3.992 0.000 8.024) 8.962 13.688 ( 5.420 0.000 -3.491) 6.447 13.994 ( -8.161 0.000 -3.927) 9.056 14.129 ( -2.674 0.000 -17.213) 17.420 14.561 ( -0.638 0.000 -6.143) 6.176 14.925 ( 0.452 0.000 0.904) 1.011 15.278 ( 12.403 0.000 -3.460) 12.876 15.542 ( -9.456 0.000 -2.777) 9.855 15.738 ( -1.450 0.000 -0.893) 1.703 17.656 ( -0.555 0.000 4.164) 4.200 18.197 ( 1.410 0.000 7.122) 7.260 18.497 ( 1.746 0.000 9.142) 9.308 24.744 ( -0.398 0.000 -2.407) 2.440 24.982 ( -3.877 0.000 -1.617) 4.201 26.881 ( 1.430 0.000 0.181) 1.441 27.183 ( -0.174 0.000 2.380) 2.386 28.211 ( 1.309 0.000 0.591) 1.436 28.495 ( -3.331 0.000 2.202) 3.994 28.529 ( 2.019 0.000 1.911) 2.780 28.564 ( 6.326 0.000 -9.751) 11.623 28.872 ( -4.629 0.000 -7.177) 8.541 29.042 ( -0.192 0.000 0.497) 0.533 29.722 ( -0.142 0.000 4.751) 4.753 29.816 ( -1.560 0.000 -1.870) 2.436 29.971 ( 0.126 0.000 -1.192) 1.199 32.055 ( 4.325 0.000 10.094) 10.981 ======================= Grid point 237 (119/156) ======================= q-point: (-0.45 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 22.193 0.000 -8.458) 23.750 2.228 ( -10.497 0.000 -0.581) 10.513 3.053 ( -4.789 0.000 2.857) 5.576 3.295 ( -2.060 0.000 1.211) 2.390 3.473 ( -9.011 0.000 2.208) 9.277 3.829 ( 4.074 0.000 -7.555) 8.583 4.010 ( 5.740 0.000 -3.216) 6.580 4.393 ( 5.480 0.000 -1.855) 5.786 4.777 ( -0.044 0.000 -0.219) 0.224 5.181 ( -0.198 0.000 -1.549) 1.562 5.210 ( 0.885 0.000 -1.096) 1.409 5.306 ( -4.137 0.000 7.290) 8.382 5.398 ( -3.006 0.000 -0.319) 3.023 5.845 ( 0.747 0.000 0.053) 0.749 5.859 ( -0.135 0.000 0.088) 0.161 5.906 ( -2.327 0.000 -0.239) 2.339 6.026 ( 2.265 0.000 5.336) 5.797 6.064 ( 4.391 0.000 -3.879) 5.859 6.226 ( -1.637 0.000 -2.630) 3.098 6.456 ( 0.246 0.000 5.750) 5.755 7.080 ( -0.538 0.000 -2.037) 2.107 7.365 ( -1.148 0.000 7.766) 7.850 7.486 ( 1.565 0.000 0.940) 1.825 7.582 ( -5.281 0.000 1.746) 5.562 7.920 ( -11.891 0.000 -3.036) 12.272 8.373 ( 12.114 0.000 -5.180) 13.175 8.686 ( -2.323 0.000 13.996) 14.187 8.938 ( 5.241 0.000 -0.900) 5.318 9.074 ( -2.672 0.000 1.894) 3.275 9.093 ( 6.242 0.000 -19.596) 20.566 9.565 ( -5.999 0.000 -0.213) 6.003 9.724 ( 7.593 0.000 2.728) 8.068 10.630 ( 0.317 0.000 0.793) 0.854 10.874 ( 2.861 0.000 0.480) 2.901 11.071 ( 0.875 0.000 2.153) 2.324 11.237 ( -8.998 0.000 0.846) 9.037 11.844 ( 9.270 0.000 -1.072) 9.332 12.319 ( 0.434 0.000 4.838) 4.858 12.392 ( -2.501 0.000 -5.092) 5.673 12.839 ( -0.595 0.000 0.016) 0.595 12.924 ( -2.380 0.000 8.097) 8.440 13.733 ( 3.310 0.000 -7.017) 7.758 13.879 ( -4.195 0.000 4.761) 6.346 14.047 ( 2.276 0.000 -8.813) 9.102 14.533 ( 0.666 0.000 -2.994) 3.068 14.933 ( -0.139 0.000 0.284) 0.317 15.258 ( -13.214 0.000 -2.664) 13.480 15.519 ( 9.201 0.000 -0.046) 9.201 15.728 ( -0.084 0.000 0.428) 0.436 17.676 ( 0.590 0.000 2.177) 2.256 18.247 ( 0.690 0.000 2.486) 2.580 18.568 ( 1.857 0.000 2.658) 3.242 24.723 ( -0.982 0.000 -0.467) 1.087 24.958 ( 1.492 0.000 0.604) 1.610 26.884 ( -1.189 0.000 -0.041) 1.190 27.194 ( 0.118 0.000 1.298) 1.304 28.226 ( 0.320 0.000 -0.777) 0.840 28.425 ( -6.107 0.000 3.448) 7.013 28.542 ( -2.116 0.000 1.333) 2.501 28.597 ( 3.206 0.000 -7.686) 8.328 28.793 ( -0.987 0.000 -0.308) 1.034 29.043 ( 0.046 0.000 0.473) 0.476 29.782 ( 5.349 0.000 -0.935) 5.431 29.793 ( -0.309 0.000 0.208) 0.373 29.968 ( 0.260 0.000 -0.855) 0.894 32.148 ( 2.056 0.000 1.431) 2.505 ======================= Grid point 238 (120/156) ======================= q-point: (-0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -8.316 0.000 25.933) 27.234 2.329 ( 37.077 0.000 -9.834) 38.359 2.956 ( -7.557 0.000 2.745) 8.040 3.211 ( -14.540 0.000 11.879) 18.776 3.353 ( -1.432 0.000 1.249) 1.900 3.826 ( 0.861 0.000 -11.123) 11.156 4.100 ( 6.905 0.000 -5.020) 8.537 4.363 ( -10.971 0.000 -3.574) 11.539 4.799 ( 1.160 0.000 2.857) 3.084 5.182 ( -1.255 0.000 2.947) 3.203 5.224 ( 1.788 0.000 -1.422) 2.285 5.263 ( 3.661 0.000 1.375) 3.911 5.416 ( 3.143 0.000 2.044) 3.749 5.817 ( -5.388 0.000 6.605) 8.524 5.881 ( 0.946 0.000 1.518) 1.788 5.957 ( -4.778 0.000 -11.471) 12.426 5.964 ( 8.141 0.000 1.892) 8.358 6.161 ( 10.068 0.000 -6.194) 11.821 6.236 ( 0.083 0.000 4.160) 4.161 6.576 ( 7.228 0.000 7.567) 10.465 7.051 ( -3.636 0.000 3.078) 4.764 7.291 ( -7.429 0.000 -8.933) 11.619 7.395 ( -14.106 0.000 -2.063) 14.256 7.462 ( -3.488 0.000 -0.198) 3.493 7.788 ( -3.656 0.000 8.365) 9.129 8.594 ( 14.121 0.000 -3.438) 14.534 8.705 ( -3.628 0.000 4.010) 5.408 8.978 ( -3.650 0.000 1.756) 4.051 9.026 ( 0.005 0.000 -14.692) 14.692 9.137 ( 11.267 0.000 -0.130) 11.268 9.470 ( 1.690 0.000 -8.529) 8.695 9.928 ( 8.074 0.000 6.613) 10.437 10.621 ( -0.908 0.000 -2.067) 2.257 10.873 ( -2.382 0.000 -7.695) 8.056 11.069 ( -9.165 0.000 4.548) 10.232 11.116 ( 4.716 0.000 -0.349) 4.729 12.059 ( 12.842 0.000 -0.196) 12.844 12.264 ( -3.384 0.000 -4.350) 5.511 12.435 ( 2.223 0.000 10.564) 10.795 12.835 ( -0.451 0.000 0.652) 0.792 12.933 ( -2.930 0.000 7.987) 8.508 13.720 ( 1.278 0.000 -10.331) 10.410 13.912 ( 1.256 0.000 14.877) 14.930 14.109 ( 7.221 0.000 2.292) 7.576 14.546 ( 1.862 0.000 -0.134) 1.866 14.924 ( -0.632 0.000 -0.147) 0.649 15.009 ( -12.331 0.000 0.389) 12.337 15.570 ( -3.556 0.000 0.501) 3.591 15.823 ( 9.711 0.000 1.261) 9.792 17.697 ( 0.514 0.000 0.400) 0.652 18.252 ( -0.026 0.000 -2.605) 2.605 18.587 ( 0.540 0.000 -4.483) 4.515 24.716 ( 0.131 0.000 1.871) 1.876 25.032 ( 4.978 0.000 3.404) 6.030 26.841 ( -3.255 0.000 -0.404) 3.280 27.200 ( -0.351 0.000 0.592) 0.688 28.213 ( -0.679 0.000 -1.956) 2.071 28.322 ( -7.790 0.000 4.368) 8.931 28.474 ( -5.238 0.000 -0.108) 5.240 28.586 ( 0.188 0.000 -5.404) 5.407 28.834 ( 2.776 0.000 6.997) 7.527 29.048 ( 0.128 0.000 0.280) 0.308 29.804 ( 0.450 0.000 1.832) 1.887 29.893 ( 9.102 0.000 -6.482) 11.174 29.977 ( 1.366 0.000 0.136) 1.373 32.140 ( -0.904 0.000 -8.456) 8.504 ======================= Grid point 239 (121/156) ======================= q-point: (-0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -7.032 0.000 39.103) 39.730 2.768 ( 0.134 0.000 0.322) 0.349 2.829 ( -7.282 0.000 1.005) 7.351 3.150 ( 15.891 0.000 6.129) 17.032 3.385 ( 1.669 0.000 5.142) 5.406 3.672 ( -11.635 0.000 -11.810) 16.578 3.999 ( -24.211 0.000 5.886) 24.916 4.201 ( 7.592 0.000 -4.375) 8.762 4.845 ( 1.308 0.000 4.950) 5.120 5.225 ( 4.344 0.000 5.271) 6.830 5.257 ( 2.339 0.000 -1.605) 2.837 5.349 ( 3.405 0.000 -7.758) 8.472 5.565 ( 8.995 0.000 5.467) 10.526 5.718 ( -7.192 0.000 -19.838) 21.101 5.828 ( 4.013 0.000 4.968) 6.386 5.957 ( 2.114 0.000 4.790) 5.236 6.146 ( 8.638 0.000 1.365) 8.745 6.229 ( -3.103 0.000 1.795) 3.585 6.350 ( 14.881 0.000 -4.677) 15.599 6.770 ( 7.289 0.000 8.849) 11.465 6.941 ( -12.459 0.000 6.710) 14.151 7.038 ( -10.258 0.000 -14.574) 17.822 7.157 ( -5.177 0.000 -5.841) 7.805 7.392 ( -4.792 0.000 0.797) 4.858 7.833 ( 2.058 0.000 7.519) 7.796 8.561 ( -10.574 0.000 -5.336) 11.844 8.775 ( 1.843 0.000 1.495) 2.373 8.927 ( -3.012 0.000 -15.566) 15.854 8.958 ( 6.763 0.000 -1.332) 6.893 9.371 ( 13.408 0.000 -0.761) 13.429 9.534 ( 8.907 0.000 -3.714) 9.650 10.069 ( 4.299 0.000 1.929) 4.712 10.546 ( -4.751 0.000 -8.045) 9.343 10.749 ( -3.817 0.000 -3.492) 5.173 11.009 ( -1.635 0.000 8.670) 8.822 11.201 ( 4.531 0.000 -3.401) 5.665 12.190 ( -1.432 0.000 -5.392) 5.579 12.267 ( 9.495 0.000 0.982) 9.546 12.548 ( 1.400 0.000 13.223) 13.297 12.829 ( -0.454 0.000 0.957) 1.059 12.883 ( -8.432 0.000 6.133) 10.427 13.652 ( -1.146 0.000 -11.658) 11.714 14.119 ( 8.866 0.000 21.875) 23.603 14.318 ( 9.794 0.000 9.356) 13.545 14.601 ( 2.907 0.000 2.938) 4.133 14.851 ( -5.806 0.000 3.355) 6.705 14.949 ( 4.538 0.000 5.594) 7.203 15.486 ( -4.688 0.000 -0.462) 4.710 16.015 ( 9.528 0.000 2.235) 9.787 17.689 ( -1.414 0.000 -0.846) 1.647 18.212 ( -1.088 0.000 -7.375) 7.455 18.523 ( -2.580 0.000 -9.996) 10.323 24.766 ( 3.565 0.000 4.433) 5.689 25.170 ( 6.547 0.000 6.964) 9.559 26.770 ( -3.909 0.000 -0.643) 3.962 27.179 ( -2.721 0.000 0.518) 2.770 28.183 ( -1.074 0.000 -2.364) 2.597 28.208 ( -7.200 0.000 3.579) 8.040 28.370 ( -5.770 0.000 -0.392) 5.783 28.542 ( -2.055 0.000 -2.913) 3.565 28.965 ( 4.760 0.000 12.083) 12.987 29.050 ( 0.162 0.000 -0.063) 0.173 29.819 ( -0.198 0.000 1.582) 1.595 30.012 ( 9.808 0.000 -11.582) 15.177 30.034 ( 4.314 0.000 2.224) 4.854 31.986 ( -7.517 0.000 -19.061) 20.490 ======================= Grid point 240 (122/156) ======================= q-point: (-0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -14.749 0.000 30.003) 33.432 2.561 ( -20.283 0.000 16.816) 26.348 2.737 ( -1.238 0.000 -4.808) 4.965 3.280 ( -22.133 0.000 -2.628) 22.288 3.429 ( 3.361 0.000 3.977) 5.207 3.651 ( 25.011 0.000 1.697) 25.069 3.742 ( -10.977 0.000 17.422) 20.592 4.314 ( 6.894 0.000 -2.386) 7.296 4.912 ( 2.228 0.000 6.101) 6.495 5.240 ( -2.251 0.000 -11.065) 11.291 5.283 ( -0.255 0.000 -3.805) 3.813 5.455 ( 14.380 0.000 -4.081) 14.948 5.477 ( -4.694 0.000 -16.044) 16.717 5.649 ( -3.243 0.000 6.367) 7.145 5.933 ( 0.087 0.000 -7.692) 7.693 6.016 ( 0.815 0.000 3.460) 3.555 6.157 ( -5.390 0.000 1.582) 5.618 6.212 ( -1.423 0.000 8.652) 8.768 6.653 ( 18.735 0.000 -4.089) 19.176 6.773 ( -0.837 0.000 1.500) 1.718 6.789 ( -7.459 0.000 -10.737) 13.074 6.995 ( 8.990 0.000 3.041) 9.490 7.165 ( 7.433 0.000 4.160) 8.518 7.293 ( -5.736 0.000 -1.867) 6.032 7.945 ( 5.735 0.000 5.340) 7.836 8.313 ( -12.647 0.000 -4.538) 13.437 8.658 ( -12.632 0.000 -25.142) 28.137 8.698 ( -8.150 0.000 2.835) 8.629 9.184 ( 14.491 0.000 -0.335) 14.495 9.584 ( 11.370 0.000 -3.204) 11.813 9.650 ( 0.158 0.000 2.821) 2.825 10.066 ( -1.849 0.000 -6.962) 7.203 10.473 ( 3.712 0.000 -1.337) 3.945 10.725 ( 0.801 0.000 1.528) 1.725 11.112 ( 5.867 0.000 9.922) 11.527 11.221 ( 0.539 0.000 -3.429) 3.471 12.135 ( -0.474 0.000 -7.654) 7.669 12.406 ( 2.929 0.000 5.526) 6.254 12.632 ( -1.285 0.000 12.678) 12.743 12.709 ( -10.945 0.000 -0.363) 10.951 12.843 ( 1.474 0.000 0.999) 1.781 13.527 ( -6.003 0.000 -8.529) 10.430 14.403 ( 5.932 0.000 6.179) 8.566 14.572 ( 12.802 0.000 20.023) 23.766 14.624 ( -1.073 0.000 1.136) 1.563 14.851 ( 2.817 0.000 4.514) 5.321 15.298 ( 24.061 0.000 19.969) 31.269 15.409 ( -3.105 0.000 -2.045) 3.718 16.186 ( 7.849 0.000 2.204) 8.153 17.634 ( -3.875 0.000 -1.196) 4.056 18.122 ( -2.465 0.000 -10.251) 10.543 18.384 ( -4.742 0.000 -10.871) 11.860 24.906 ( 8.457 0.000 5.430) 10.050 25.352 ( 7.312 0.000 11.037) 13.239 26.702 ( -2.884 0.000 -0.628) 2.951 27.094 ( -7.448 0.000 0.851) 7.496 28.131 ( -2.303 0.000 1.481) 2.738 28.149 ( -0.989 0.000 -2.076) 2.299 28.270 ( -4.760 0.000 -0.413) 4.778 28.477 ( -3.714 0.000 -1.039) 3.857 29.061 ( 1.445 0.000 -0.239) 1.465 29.146 ( 5.239 0.000 15.857) 16.700 29.818 ( -0.426 0.000 0.263) 0.501 30.087 ( 7.691 0.000 -15.949) 17.707 30.149 ( 5.897 0.000 3.087) 6.656 31.600 ( -20.154 0.000 -25.669) 32.635 ======================= Grid point 241 (123/156) ======================= q-point: (-0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -20.715 0.000 18.985) 28.099 2.331 ( -17.689 0.000 22.039) 28.260 2.729 ( 4.979 0.000 -9.222) 10.480 2.937 ( -13.061 0.000 -4.818) 13.921 3.518 ( 2.965 0.000 7.783) 8.329 3.836 ( 1.508 0.000 36.522) 36.553 4.035 ( 15.515 0.000 1.033) 15.549 4.401 ( 3.118 0.000 -0.467) 3.152 4.977 ( -1.312 0.000 -6.768) 6.894 5.036 ( -2.588 0.000 -13.152) 13.404 5.253 ( 2.815 0.000 -15.686) 15.936 5.378 ( -1.547 0.000 -4.048) 4.334 5.487 ( -13.951 0.000 1.697) 14.054 5.650 ( 2.114 0.000 -4.111) 4.622 5.872 ( 7.401 0.000 -1.831) 7.624 6.003 ( -2.965 0.000 -0.552) 3.016 6.085 ( -3.539 0.000 2.081) 4.105 6.252 ( -1.720 0.000 6.883) 7.094 6.670 ( -1.071 0.000 -1.625) 1.946 6.700 ( 1.635 0.000 -13.823) 13.919 7.009 ( 11.254 0.000 9.231) 14.556 7.169 ( -5.604 0.000 -4.251) 7.034 7.190 ( 12.119 0.000 1.124) 12.171 7.444 ( 15.892 0.000 4.102) 16.413 8.057 ( -12.237 0.000 -6.723) 13.962 8.101 ( 8.265 0.000 3.042) 8.807 8.220 ( -17.653 0.000 -15.378) 23.412 8.558 ( -8.120 0.000 0.951) 8.176 9.393 ( 3.443 0.000 10.238) 10.802 9.526 ( -10.663 0.000 -1.643) 10.789 9.754 ( 13.125 0.000 -12.118) 17.864 10.049 ( 1.889 0.000 -0.362) 1.923 10.567 ( 4.039 0.000 -0.470) 4.067 10.777 ( 3.044 0.000 -0.038) 3.045 11.220 ( 1.660 0.000 1.893) 2.518 11.302 ( 8.144 0.000 6.541) 10.446 12.063 ( -3.123 0.000 -6.871) 7.548 12.352 ( -12.739 0.000 9.647) 15.980 12.639 ( 5.784 0.000 -5.542) 8.010 12.669 ( -1.163 0.000 9.004) 9.079 12.889 ( 2.794 0.000 0.100) 2.796 13.333 ( -11.078 0.000 -2.411) 11.337 14.459 ( 0.369 0.000 0.546) 0.659 14.556 ( -2.091 0.000 -4.233) 4.722 14.981 ( 7.788 0.000 3.528) 8.550 15.031 ( 15.709 0.000 28.645) 32.669 15.338 ( -3.103 0.000 -3.646) 4.788 15.855 ( 22.161 0.000 5.119) 22.745 16.321 ( 5.827 0.000 0.782) 5.879 17.547 ( -4.747 0.000 -0.144) 4.749 18.029 ( -0.434 0.000 -7.844) 7.856 18.245 ( -3.664 0.000 -7.403) 8.260 25.109 ( 9.112 0.000 3.375) 9.717 25.579 ( 10.623 0.000 10.923) 15.237 26.669 ( -0.084 0.000 -0.242) 0.256 26.924 ( -10.951 0.000 -0.017) 10.951 28.122 ( -0.925 0.000 -1.047) 1.397 28.158 ( 4.533 0.000 0.265) 4.541 28.199 ( -2.525 0.000 -0.643) 2.606 28.393 ( -5.349 0.000 -0.117) 5.350 29.115 ( 4.522 0.000 0.782) 4.589 29.340 ( 4.161 0.000 18.299) 18.766 29.803 ( -1.139 0.000 -1.758) 2.095 30.081 ( 3.631 0.000 -19.009) 19.353 30.253 ( 2.971 0.000 0.714) 3.056 30.990 ( -28.139 0.000 -17.446) 33.109 ======================= Grid point 242 (124/156) ======================= q-point: ( 0.00 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -1.570 9.197 17.880) 20.168 2.404 ( -6.306 13.596 15.751) 21.742 2.848 ( -3.052 9.014 -6.060) 11.282 2.969 ( 6.650 11.736 -8.735) 16.070 3.604 ( 3.462 -0.109 11.325) 11.843 3.976 ( 0.130 -9.342 3.708) 10.052 4.190 ( 6.936 -8.238 16.912) 20.049 4.285 ( -5.701 -10.026 1.023) 11.578 4.739 ( -6.414 -1.317 -10.132) 12.064 5.022 ( 3.069 -4.073 0.307) 5.109 5.213 ( -1.622 11.291 -6.336) 13.049 5.293 ( -1.631 -1.386 -4.963) 5.405 5.456 ( 6.084 0.278 -2.858) 6.728 5.728 ( 2.461 7.918 -4.515) 9.442 5.774 ( -5.738 -4.567 0.574) 7.356 5.976 ( -1.396 2.210 1.039) 2.813 6.177 ( -6.453 5.976 3.904) 9.623 6.307 ( 8.993 0.390 -5.312) 10.452 6.577 ( -3.119 -3.517 -4.065) 6.214 6.816 ( 2.990 6.939 2.146) 7.855 7.026 ( -3.791 -4.217 -3.519) 6.674 7.197 ( 6.016 -2.126 4.219) 7.650 7.324 ( 0.497 -1.431 0.175) 1.525 7.484 ( 1.122 -10.785 0.083) 10.844 7.700 ( -9.465 -4.416 -9.082) 13.841 7.933 ( 3.441 -8.118 0.314) 8.823 8.355 ( 2.868 10.100 -0.126) 10.500 8.612 ( -1.491 10.867 -1.949) 11.141 9.219 ( -4.616 -8.287 7.381) 12.019 9.465 ( -3.213 -1.884 0.046) 3.725 9.931 ( 2.643 6.021 -4.606) 8.028 10.155 ( 2.409 6.166 -1.040) 6.701 10.618 ( 0.155 1.643 0.154) 1.658 10.776 ( -0.809 -0.493 -3.333) 3.465 11.027 ( 1.766 -13.361 0.994) 13.514 11.681 ( 5.197 -12.181 2.278) 13.438 11.783 ( -5.226 9.128 -2.196) 10.745 12.256 ( -1.419 -0.657 6.905) 7.080 12.744 ( 2.984 4.038 -2.558) 5.635 12.754 ( 1.150 2.175 2.521) 3.522 12.928 ( 2.356 0.655 -1.614) 2.931 13.210 ( -7.706 4.636 4.974) 10.277 14.409 ( -1.426 -4.061 -0.574) 4.342 14.467 ( 0.254 -2.958 -0.454) 3.003 15.024 ( 4.856 -10.898 7.721) 14.211 15.185 ( 1.664 -9.680 -4.596) 10.844 15.395 ( 3.021 2.094 4.787) 6.036 15.829 ( 4.051 -9.270 4.531) 11.085 16.731 ( 0.165 20.873 -7.594) 22.212 17.550 ( -1.271 4.749 2.214) 5.392 17.970 ( -1.616 -1.497 -3.740) 4.341 18.180 ( -1.042 0.044 -3.672) 3.817 25.180 ( -0.076 -2.601 2.340) 3.499 25.645 ( 6.807 -14.486 0.751) 16.023 26.682 ( 3.175 -2.554 1.018) 4.201 26.710 ( -4.768 -2.659 -1.439) 5.646 28.102 ( 0.756 -2.399 -0.745) 2.623 28.236 ( -0.126 -0.919 -0.347) 0.990 28.292 ( 0.630 13.235 -0.347) 13.255 28.488 ( 1.572 12.197 -0.888) 12.330 29.233 ( 0.786 3.873 2.461) 4.656 29.499 ( 1.898 -1.150 17.776) 17.914 29.730 ( -3.174 -0.467 -3.272) 4.582 29.949 ( -2.653 -3.026 -16.022) 16.520 30.255 ( -3.140 3.329 -1.567) 4.837 30.599 ( -3.570 -1.923 -0.618) 4.102 ======================= Grid point 243 (125/156) ======================= q-point: ( 0.09 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 11.354 7.895 11.327) 17.876 2.479 ( 4.155 14.853 15.965) 22.198 2.829 ( 4.025 5.610 -4.124) 8.042 3.061 ( 10.268 9.597 -9.699) 17.076 3.646 ( -3.278 1.359 -1.949) 4.049 3.966 ( -3.160 -12.749 -4.690) 13.947 4.181 ( -4.455 -6.688 3.049) 8.595 4.330 ( -0.160 -9.766 5.847) 11.384 4.664 ( -0.078 3.435 7.815) 8.537 5.042 ( 0.351 -4.801 -5.259) 7.129 5.193 ( 3.600 15.543 -1.678) 16.042 5.290 ( 1.321 -1.992 2.479) 3.444 5.562 ( 3.975 -5.316 -9.559) 11.638 5.668 ( -0.103 2.345 -1.155) 2.616 5.734 ( -2.999 5.513 5.383) 8.269 5.963 ( -0.469 0.730 2.200) 2.365 6.142 ( 2.823 3.973 0.770) 4.934 6.406 ( -0.255 -0.504 2.595) 2.656 6.504 ( -1.066 -0.890 -4.298) 4.517 6.853 ( 1.493 2.126 -5.972) 6.513 7.016 ( 1.657 -2.741 6.005) 6.806 7.160 ( -9.577 1.582 -4.057) 10.521 7.203 ( -6.240 -3.061 -3.150) 7.631 7.418 ( -9.143 -7.918 -3.279) 12.532 7.733 ( 9.909 -4.155 9.816) 14.554 8.003 ( 4.866 -7.972 -3.102) 9.842 8.368 ( 0.918 12.109 -3.264) 12.575 8.656 ( 5.878 6.298 0.653) 8.640 9.183 ( -9.727 -5.410 14.061) 17.933 9.408 ( 0.621 -4.803 -3.312) 5.867 9.930 ( -0.045 5.156 -2.346) 5.665 10.131 ( -3.486 6.918 -3.726) 8.596 10.586 ( -3.391 1.280 -1.036) 3.769 10.741 ( -1.563 -1.023 0.720) 2.002 11.046 ( 0.719 -13.414 -2.886) 13.740 11.537 ( -9.885 -9.189 -1.634) 13.595 11.870 ( 4.213 8.763 2.716) 10.095 12.388 ( 10.939 -1.712 4.772) 12.056 12.657 ( -8.333 3.753 -1.489) 9.259 12.828 ( 4.050 0.430 -4.319) 5.937 12.940 ( 1.794 3.212 -4.757) 6.013 13.174 ( -2.862 0.843 13.218) 13.550 14.417 ( 1.631 -4.532 2.333) 5.352 14.462 ( -0.403 -1.367 -0.785) 1.627 15.044 ( -3.411 -8.925 -5.731) 11.141 15.134 ( -3.064 -12.901 -3.488) 13.710 15.460 ( 2.504 0.882 -4.182) 4.954 15.833 ( -2.996 -2.109 -4.619) 5.896 16.654 ( -4.514 20.211 -3.158) 20.949 17.525 ( -3.099 2.365 2.882) 4.848 17.931 ( -1.431 -0.322 1.847) 2.359 18.148 ( -1.486 -0.519 1.440) 2.133 25.123 ( -5.997 -1.626 -0.161) 6.216 25.652 ( -3.723 -13.381 -7.534) 15.801 26.667 ( 0.474 -0.657 -0.833) 1.162 26.804 ( 7.952 -7.318 2.804) 11.165 28.123 ( 2.937 -1.036 -2.079) 3.744 28.237 ( 0.354 3.133 0.201) 3.160 28.308 ( 1.684 10.808 -1.010) 10.985 28.529 ( 4.015 11.365 -3.828) 12.647 29.127 ( -9.557 3.119 1.637) 10.186 29.612 ( -0.485 0.090 12.547) 12.557 29.708 ( -0.619 -2.937 -9.329) 9.800 29.816 ( -2.163 -0.965 0.283) 2.385 30.251 ( 0.184 3.063 2.693) 4.083 30.697 ( 11.324 -3.577 6.688) 13.629 ======================= Grid point 244 (126/156) ======================= q-point: ( 0.18 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 8.819 -0.033 8.706) 12.392 2.723 ( 11.522 16.170 10.019) 22.240 2.905 ( 7.520 2.339 -7.605) 10.948 3.249 ( 16.064 4.308 -6.063) 17.703 3.515 ( -5.954 -1.085 -7.765) 9.845 3.765 ( -9.559 -3.949 -12.664) 16.351 4.162 ( -1.081 -1.471 -1.627) 2.445 4.306 ( -3.115 -0.084 0.412) 3.144 4.806 ( 5.729 0.384 17.413) 18.336 5.012 ( 0.298 -3.291 -5.470) 6.391 5.278 ( 5.828 8.247 -4.168) 10.925 5.325 ( -0.009 2.427 5.985) 6.459 5.428 ( -10.918 -2.496 0.695) 11.222 5.703 ( 2.077 -3.771 3.299) 5.423 5.804 ( 5.599 3.081 -1.250) 6.512 5.979 ( 0.082 -3.014 1.062) 3.197 6.249 ( 1.833 2.713 4.904) 5.897 6.308 ( -7.685 3.205 4.620) 9.522 6.476 ( -1.795 2.923 -4.868) 5.955 6.821 ( -3.354 -10.373 -4.180) 11.676 6.941 ( -1.663 13.252 -5.079) 14.289 7.093 ( -2.328 -3.699 -6.489) 7.823 7.118 ( -5.401 -7.047 -1.718) 9.043 7.215 ( -1.838 -0.420 4.605) 4.976 7.980 ( 5.357 -4.098 7.203) 9.868 8.109 ( 9.862 -4.558 5.466) 12.162 8.393 ( 3.183 9.183 0.776) 9.749 8.782 ( 6.912 2.453 -0.371) 7.344 9.026 ( -14.145 0.719 11.489) 18.237 9.413 ( -0.149 -13.172 -6.630) 14.748 9.936 ( 0.523 5.664 5.171) 7.687 9.992 ( -8.097 6.835 -6.342) 12.349 10.505 ( -2.937 1.189 -2.841) 4.256 10.716 ( -1.813 -2.387 0.621) 3.061 11.031 ( -0.075 -9.712 -2.444) 10.016 11.389 ( -5.323 -2.200 -2.355) 6.223 11.929 ( 0.966 2.731 4.375) 5.247 12.464 ( -12.084 4.121 1.622) 12.870 12.647 ( 13.121 -4.553 1.162) 13.937 12.800 ( -3.033 0.935 -4.339) 5.376 12.972 ( 4.422 1.140 -5.954) 7.504 13.242 ( 1.292 -2.908 12.579) 12.975 14.435 ( -2.270 -0.190 -0.931) 2.461 14.488 ( 3.531 -3.892 3.536) 6.334 14.892 ( -4.941 -9.120 -16.584) 19.561 15.012 ( -6.408 -15.772 -5.864) 18.006 15.378 ( -5.739 8.185 -14.856) 17.906 15.751 ( 0.204 6.204 -5.700) 8.427 16.506 ( -10.488 18.833 -2.968) 21.760 17.491 ( -2.011 -4.873 4.044) 6.644 17.961 ( 0.894 2.455 8.343) 8.742 18.166 ( 0.008 -0.593 9.042) 9.061 24.994 ( -6.380 -0.231 -3.204) 7.143 25.469 ( -9.759 -8.751 -7.249) 14.979 26.697 ( 2.883 -0.374 -0.595) 2.967 26.957 ( 5.977 -8.729 3.567) 11.164 28.177 ( 3.403 1.864 -2.031) 4.379 28.264 ( 3.989 5.609 -1.451) 7.034 28.348 ( 3.458 7.439 -0.712) 8.235 28.568 ( 3.500 7.889 -5.535) 10.253 29.024 ( -3.413 -0.438 2.966) 4.543 29.485 ( -7.265 -1.813 -17.710) 19.228 29.705 ( -1.256 -1.588 11.592) 11.768 29.850 ( 0.304 1.599 5.855) 6.077 30.231 ( -3.460 4.551 0.531) 5.742 31.043 ( 16.241 -7.906 16.997) 24.803 ======================= Grid point 245 (127/156) ======================= q-point: ( 0.27 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -6.512 -3.008 6.980) 10.009 2.901 ( 5.098 8.722 -9.702) 14.007 3.004 ( 8.208 10.370 -3.663) 13.724 3.387 ( 2.235 -3.168 -10.029) 10.753 3.459 ( 1.432 -1.558 -7.845) 8.125 3.635 ( 10.647 3.681 -10.479) 15.385 4.096 ( -6.713 -0.435 3.953) 7.802 4.288 ( 3.017 11.658 -1.213) 12.103 4.965 ( -0.415 -4.940 -3.357) 5.987 5.011 ( 2.070 -2.757 9.853) 10.439 5.249 ( -8.602 0.881 3.241) 9.234 5.320 ( 2.856 -0.807 1.818) 3.480 5.419 ( 4.505 7.320 6.041) 10.505 5.744 ( -1.851 -0.669 -0.461) 2.021 5.829 ( -2.618 0.989 -0.553) 2.853 5.955 ( -1.253 -5.409 -3.767) 6.709 6.105 ( -8.837 2.366 8.414) 12.429 6.298 ( -13.230 1.681 -3.227) 13.722 6.370 ( 1.780 5.768 0.528) 6.059 6.791 ( -0.437 -7.912 0.745) 7.959 6.866 ( -2.049 -1.350 -5.739) 6.242 7.056 ( 3.031 -2.397 -1.309) 4.080 7.119 ( 10.222 0.672 -3.343) 10.776 7.318 ( 3.174 0.366 8.595) 9.170 8.030 ( 2.298 2.676 -3.163) 4.738 8.372 ( 10.698 -5.191 7.976) 14.318 8.482 ( 1.325 0.981 12.311) 12.421 8.803 ( -8.284 3.815 5.248) 10.522 8.949 ( 3.921 0.675 0.582) 4.021 9.285 ( -8.347 -10.471 -5.769) 14.581 9.773 ( -8.976 5.067 -10.146) 14.463 9.991 ( -0.282 2.047 5.305) 5.693 10.487 ( 2.014 2.360 0.053) 3.103 10.700 ( 0.363 -3.117 0.149) 3.141 11.014 ( -1.415 -5.696 0.975) 5.949 11.302 ( -2.008 3.262 -4.232) 5.708 11.989 ( 2.240 -3.258 6.173) 7.331 12.246 ( -12.789 0.086 1.399) 12.865 12.700 ( -4.720 0.677 -4.018) 6.236 12.818 ( 5.694 -4.036 -4.231) 8.162 12.996 ( -0.449 -0.682 3.209) 3.311 13.389 ( 8.581 -2.646 5.289) 10.422 14.349 ( -5.882 0.136 -4.601) 7.469 14.543 ( -0.575 -2.935 -3.283) 4.441 14.708 ( -1.513 -5.822 -15.861) 16.964 14.841 ( -7.512 -15.824 -8.248) 19.362 15.177 ( -1.520 12.568 -15.505) 20.017 15.761 ( 2.452 9.676 -3.216) 10.487 16.258 ( -12.887 16.717 -5.012) 21.694 17.511 ( -0.015 -8.180 6.483) 10.438 18.044 ( 1.113 2.539 11.065) 11.407 18.252 ( 1.316 -1.485 13.337) 13.484 24.871 ( -4.300 0.691 -4.413) 6.200 25.250 ( -9.679 -5.383 -4.963) 12.137 26.754 ( 3.537 -0.784 -0.238) 3.631 27.057 ( 2.613 -7.012 3.743) 8.367 28.203 ( 0.781 4.652 0.162) 4.719 28.364 ( 8.005 2.168 -4.764) 9.564 28.421 ( 4.574 5.282 0.300) 6.993 28.591 ( 2.976 5.741 -5.294) 8.357 29.013 ( -0.349 -1.791 2.197) 2.856 29.239 ( -7.800 -2.099 -15.428) 17.414 29.741 ( -2.375 0.728 10.017) 10.320 29.879 ( 0.461 1.405 1.507) 2.111 30.150 ( -5.044 7.062 -0.466) 8.691 31.423 ( 12.072 -11.801 19.642) 25.900 ======================= Grid point 246 (128/156) ======================= q-point: ( 0.36 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -16.787 12.126 2.138) 20.819 2.796 ( -3.395 5.710 -25.025) 25.892 3.135 ( 7.029 11.672 -0.755) 13.646 3.371 ( -2.473 -3.980 -6.425) 7.952 3.454 ( 9.714 -1.260 -9.337) 13.532 3.790 ( 8.213 2.874 -8.573) 12.215 3.990 ( -8.270 1.161 6.638) 10.668 4.388 ( 3.951 13.236 6.998) 15.485 4.913 ( -1.069 0.081 -4.192) 4.326 5.046 ( -0.289 -6.321 4.056) 7.516 5.190 ( -0.403 -4.303 3.247) 5.406 5.391 ( 1.032 0.344 0.401) 1.160 5.511 ( -4.967 4.114 -0.075) 6.450 5.596 ( -3.035 6.276 6.951) 9.845 5.831 ( 1.874 -3.943 1.650) 4.667 5.903 ( -1.447 -5.265 -5.991) 8.106 6.062 ( -7.402 -1.653 -5.321) 9.265 6.085 ( -1.435 2.427 5.028) 5.764 6.369 ( -1.064 5.250 0.744) 5.408 6.634 ( -9.114 -5.826 -2.887) 11.196 7.011 ( 7.245 -2.445 3.719) 8.503 7.092 ( 4.255 -2.763 0.994) 5.170 7.339 ( 10.706 -1.349 3.330) 11.293 7.409 ( 1.401 0.471 7.448) 7.593 8.068 ( 6.223 5.301 -8.429) 11.742 8.506 ( -6.803 -2.644 7.063) 10.157 8.552 ( 2.891 -1.662 5.093) 6.088 8.750 ( 0.884 -2.106 8.859) 9.148 8.998 ( -2.646 -0.548 0.613) 2.771 9.140 ( -1.403 -1.820 -0.008) 2.298 9.584 ( -2.652 4.808 -13.860) 14.908 9.958 ( -5.316 -1.200 0.287) 5.458 10.547 ( 2.031 1.748 4.561) 5.290 10.737 ( 2.411 -3.264 1.715) 4.406 10.997 ( -1.862 -2.043 4.583) 5.352 11.281 ( 3.334 4.842 -4.870) 7.634 12.017 ( -11.736 -1.762 1.088) 11.917 12.090 ( 2.816 -6.475 5.933) 9.223 12.584 ( -4.808 -1.698 -5.485) 7.489 12.808 ( -1.579 -7.015 -7.086) 10.095 13.017 ( -1.277 5.058 8.570) 10.033 13.581 ( 9.714 -1.262 -0.132) 9.797 14.178 ( -7.775 -0.014 -8.019) 11.169 14.360 ( -7.995 -0.775 -19.178) 20.792 14.617 ( -1.589 -1.738 -7.916) 8.258 14.770 ( 1.791 -9.091 0.376) 9.274 15.167 ( 7.282 6.529 -8.115) 12.709 15.742 ( -3.913 2.988 -4.706) 6.810 16.037 ( -6.966 19.737 -2.226) 21.049 17.549 ( -0.381 -8.174 5.975) 10.132 18.131 ( 1.118 1.504 10.155) 10.327 18.362 ( 1.370 -2.791 12.917) 13.286 24.790 ( -1.872 0.908 -3.785) 4.319 25.070 ( -7.221 -3.417 -3.124) 8.578 26.813 ( 2.888 -1.530 0.044) 3.269 27.106 ( 0.734 -5.516 3.063) 6.352 28.219 ( 0.870 3.635 0.327) 3.752 28.465 ( 5.432 -0.214 -3.321) 6.370 28.498 ( 3.344 3.491 -0.299) 4.843 28.616 ( 3.449 6.787 -4.510) 8.849 29.000 ( -4.270 -2.899 -5.482) 7.530 29.048 ( -1.980 0.199 -4.598) 5.010 29.752 ( -2.077 2.300 7.371) 7.995 29.887 ( 0.091 1.320 -1.116) 1.731 30.062 ( -3.917 8.454 -0.379) 9.325 31.708 ( 7.206 -14.242 15.979) 22.585 ======================= Grid point 247 (129/156) ======================= q-point: ( 0.45 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -6.218 27.966 -0.075) 28.649 2.523 ( -8.700 5.655 -22.489) 24.768 3.215 ( 1.582 8.421 0.410) 8.578 3.297 ( -2.307 -1.140 -4.004) 4.759 3.554 ( 4.118 0.619 -4.729) 6.301 3.824 ( -1.353 2.459 1.183) 3.046 3.917 ( 1.300 -1.929 -3.087) 3.865 4.469 ( 1.481 11.780 4.687) 12.765 4.892 ( 0.057 6.994 -1.047) 7.072 5.106 ( 3.208 -3.830 4.444) 6.686 5.232 ( 0.732 -7.195 5.536) 9.108 5.340 ( -4.620 6.469 -5.865) 9.879 5.383 ( -1.310 -1.058 -2.524) 3.034 5.646 ( 0.264 -10.106 1.127) 10.172 5.826 ( -3.223 -6.136 -4.713) 8.381 5.881 ( 1.338 -3.143 0.688) 3.484 5.961 ( -1.638 -1.486 2.486) 3.327 6.134 ( 3.724 5.682 3.114) 7.473 6.347 ( -2.675 5.018 -3.019) 6.439 6.488 ( -4.715 -0.813 2.899) 5.594 7.021 ( -1.012 -7.185 -4.289) 8.429 7.291 ( 7.385 2.993 12.526) 14.846 7.462 ( 0.949 0.596 5.502) 5.615 7.504 ( 3.780 -4.367 3.675) 6.846 8.123 ( 4.269 4.902 -12.099) 13.734 8.345 ( -7.276 0.225 -1.817) 7.503 8.615 ( -2.157 -1.410 12.791) 13.048 8.860 ( 5.308 -9.643 -0.260) 11.010 8.937 ( -1.511 1.940 2.263) 3.342 9.178 ( 2.227 2.868 -1.765) 4.038 9.533 ( 4.235 2.669 -5.074) 7.128 9.813 ( -8.849 -1.220 -3.765) 9.694 10.605 ( 1.474 0.715 3.636) 3.988 10.777 ( 0.553 -3.985 2.524) 4.750 11.026 ( 1.231 0.545 5.994) 6.143 11.341 ( 4.065 4.112 -2.850) 6.446 11.823 ( -7.547 -1.055 -0.472) 7.635 12.190 ( 3.449 -7.373 5.645) 9.906 12.460 ( -4.600 -2.933 -6.803) 8.720 12.722 ( -3.315 -9.880 -3.201) 10.902 13.048 ( -0.792 10.218 6.927) 12.370 13.708 ( 5.728 0.102 -5.383) 7.861 13.991 ( -7.909 0.029 -3.356) 8.591 14.153 ( -2.247 2.223 -14.132) 14.481 14.563 ( -0.089 0.266 -5.467) 5.474 14.810 ( 1.281 -7.319 1.168) 7.522 15.297 ( 10.163 1.341 -4.146) 11.058 15.554 ( -11.224 -1.448 -4.544) 12.195 15.983 ( -0.473 21.745 0.265) 21.752 17.573 ( -0.321 -7.728 4.159) 8.782 18.207 ( 1.210 0.762 6.851) 6.999 18.457 ( 1.550 -3.637 8.790) 9.638 24.752 ( -0.551 0.736 -2.201) 2.386 24.957 ( -3.515 -2.356 -1.499) 4.489 26.852 ( 1.246 -2.112 0.049) 2.453 27.128 ( 0.102 -4.965 2.015) 5.359 28.236 ( 0.863 2.346 -0.168) 2.505 28.490 ( -1.716 -0.196 1.648) 2.387 28.550 ( 3.882 1.939 -4.212) 6.047 28.654 ( 2.587 7.271 -2.296) 8.052 28.859 ( -4.241 -1.109 -6.783) 8.076 29.044 ( 0.085 0.438 0.658) 0.795 29.769 ( -0.008 2.140 4.361) 4.858 29.869 ( -0.656 3.235 -1.810) 3.764 30.017 ( -0.725 7.972 -0.375) 8.013 31.887 ( 4.035 -15.587 9.341) 18.615 ======================= Grid point 248 (130/156) ======================= q-point: (-0.45 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 11.168 26.560 -0.644) 28.820 2.266 ( -8.870 5.782 -4.220) 11.398 3.211 ( -4.738 12.648 3.984) 14.082 3.232 ( -1.615 -5.675 -0.959) 5.977 3.478 ( -10.778 1.342 2.763) 11.208 3.834 ( 2.932 -0.023 -2.873) 4.105 3.992 ( 9.043 0.493 -6.668) 11.247 4.525 ( 3.149 8.499 -0.688) 9.090 4.892 ( -0.631 10.553 0.519) 10.585 5.179 ( 0.960 -1.335 4.166) 4.479 5.219 ( -3.727 -0.517 -4.979) 6.241 5.285 ( 1.236 -0.064 2.421) 2.719 5.353 ( -0.576 -2.988 0.538) 3.090 5.667 ( 3.795 -10.271 -2.104) 11.150 5.766 ( -1.161 -7.688 0.149) 7.777 5.877 ( -1.084 -1.821 0.366) 2.151 5.996 ( 3.168 -1.954 0.420) 3.746 6.205 ( -6.188 -1.820 -1.700) 6.670 6.260 ( 4.420 8.285 3.743) 10.109 6.508 ( 2.591 6.693 2.507) 7.602 6.980 ( -1.297 -8.595 -1.642) 8.846 7.415 ( -1.805 3.907 5.232) 6.774 7.502 ( -1.143 -1.729 1.369) 2.485 7.527 ( -1.133 -2.301 2.061) 3.290 7.987 ( -9.343 5.961 -2.675) 11.401 8.375 ( 10.272 -0.019 -5.242) 11.532 8.642 ( -3.102 -3.549 11.068) 12.030 8.914 ( 3.366 -7.553 -4.046) 9.206 8.992 ( 5.700 1.228 -0.653) 5.868 9.152 ( -0.667 2.513 -8.507) 8.896 9.579 ( -6.796 0.758 -0.924) 6.901 9.709 ( 6.594 -1.497 2.550) 7.227 10.636 ( 0.366 0.498 0.550) 0.827 10.808 ( 1.744 -5.044 0.706) 5.383 11.080 ( 1.096 1.297 2.069) 2.677 11.304 ( -7.123 5.069 0.039) 8.743 11.823 ( 7.805 -1.888 -0.517) 8.047 12.274 ( 1.562 -9.284 3.219) 9.949 12.343 ( -3.305 -0.320 -3.114) 4.552 12.673 ( -1.294 -11.361 1.781) 11.572 13.072 ( -0.869 12.287 5.098) 13.331 13.717 ( 1.068 -1.378 -9.113) 9.278 13.900 ( -2.910 1.180 6.830) 7.517 14.083 ( 1.190 2.793 -7.261) 7.870 14.541 ( 0.721 0.782 -3.296) 3.464 14.821 ( -0.644 -7.155 0.233) 7.188 15.276 ( -11.296 1.034 -3.046) 11.745 15.516 ( 9.939 -2.527 -0.101) 10.256 15.979 ( -0.359 22.174 0.651) 22.187 17.594 ( 0.412 -7.723 2.139) 8.024 18.256 ( 1.039 0.768 2.243) 2.589 18.525 ( 1.968 -3.843 2.515) 4.997 24.732 ( -0.792 0.834 -0.369) 1.208 24.934 ( 1.316 -2.196 0.555) 2.619 26.856 ( -0.812 -2.056 -0.238) 2.223 27.138 ( -0.064 -5.054 1.054) 5.163 28.244 ( 0.238 1.761 -0.918) 2.000 28.446 ( -4.642 1.736 3.049) 5.819 28.567 ( 0.630 0.840 -3.907) 4.046 28.668 ( -0.226 7.357 -1.442) 7.500 28.782 ( -1.073 -1.048 -0.814) 1.706 29.048 ( -0.125 0.527 0.509) 0.743 29.794 ( 0.342 0.489 1.551) 1.662 29.867 ( 2.054 3.319 -1.553) 4.201 30.027 ( 2.309 9.531 -1.011) 9.859 31.974 ( 1.824 -16.232 1.339) 16.389 ======================= Grid point 249 (131/156) ======================= q-point: (-0.36 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -6.230 5.217 21.040) 22.554 2.448 ( 21.306 9.980 -2.869) 23.702 3.077 ( -12.789 6.265 5.123) 15.135 3.224 ( -4.196 -2.750 7.297) 8.855 3.301 ( -7.061 3.276 4.515) 8.999 3.834 ( 0.220 0.668 -9.497) 9.523 4.123 ( 8.795 2.946 -5.624) 10.848 4.490 ( -10.198 9.357 -1.304) 13.902 4.860 ( -1.520 5.001 1.306) 5.388 5.136 ( 0.771 -4.161 -4.904) 6.478 5.191 ( -0.598 0.596 1.238) 1.499 5.365 ( 2.853 -0.066 2.248) 3.633 5.432 ( 9.386 7.313 2.139) 12.089 5.742 ( -0.641 -6.720 1.130) 6.845 5.770 ( 5.671 -6.421 0.394) 8.575 5.881 ( 1.735 -0.937 1.732) 2.625 6.032 ( -1.590 0.355 -4.147) 4.456 6.131 ( 4.497 -2.624 0.251) 5.213 6.377 ( 4.790 8.925 1.366) 10.221 6.590 ( 5.569 2.286 1.181) 6.135 6.933 ( -5.866 -9.326 4.246) 11.807 7.267 ( -11.142 -2.840 -7.784) 13.886 7.413 ( -7.583 1.886 -1.775) 8.013 7.508 ( -2.307 2.826 -2.151) 4.235 7.884 ( -3.176 8.573 6.991) 11.509 8.566 ( 9.939 -2.929 -2.644) 10.694 8.622 ( -2.781 -6.175 3.827) 7.779 8.944 ( 3.422 -4.915 -8.549) 10.437 9.035 ( 0.558 1.281 -6.451) 6.601 9.170 ( 6.930 2.601 -0.103) 7.402 9.451 ( -1.643 -0.833 -3.132) 3.634 9.887 ( 6.768 -3.769 6.918) 10.386 10.628 ( -0.653 0.607 -1.867) 2.069 10.810 ( -1.585 -4.787 -4.515) 6.769 11.078 ( -1.629 0.974 -2.849) 3.423 11.193 ( -2.987 6.668 3.506) 8.104 12.015 ( 11.430 -4.089 1.145) 12.193 12.208 ( -3.329 -7.846 -6.157) 10.514 12.396 ( 2.303 -1.522 10.859) 11.204 12.691 ( 0.504 -9.544 4.678) 10.640 13.065 ( -3.414 9.962 3.322) 11.043 13.665 ( -0.573 -4.018 -8.267) 9.210 13.961 ( 1.728 3.360 15.664) 16.114 14.105 ( 4.795 -0.044 -0.580) 4.830 14.550 ( 1.706 0.432 -0.722) 1.902 14.789 ( -2.588 -7.358 -0.734) 7.834 15.066 ( -9.919 4.265 0.544) 10.811 15.681 ( 5.939 -0.935 1.334) 6.159 16.006 ( 4.338 22.628 1.119) 23.067 17.608 ( 0.136 -8.084 0.252) 8.089 18.271 ( 0.672 1.444 -2.747) 3.175 18.549 ( 1.042 -3.359 -4.339) 5.585 24.729 ( 0.375 1.293 1.811) 2.256 25.001 ( 4.528 -2.840 3.124) 6.191 26.822 ( -2.504 -1.318 -0.653) 2.904 27.135 ( -0.954 -5.658 0.295) 5.745 28.233 ( -0.745 1.941 -1.063) 2.334 28.367 ( -5.984 3.690 3.366) 7.794 28.523 ( -3.440 2.055 -1.879) 4.426 28.626 ( -1.880 5.733 -3.535) 6.993 28.821 ( 2.769 -1.341 6.953) 7.604 29.046 ( -0.249 -0.109 0.096) 0.288 29.807 ( 0.499 0.498 0.777) 1.050 29.904 ( 2.810 -0.391 -1.793) 3.356 30.093 ( 6.256 12.038 -3.099) 13.916 31.963 ( -1.186 -16.359 -7.644) 18.095 ======================= Grid point 250 (132/156) ======================= q-point: (-0.27 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -5.130 5.226 34.983) 35.741 2.679 ( -7.763 -6.639 5.361) 11.536 2.909 ( -0.757 2.026 1.641) 2.715 3.211 ( 3.724 6.535 6.522) 9.956 3.323 ( 2.889 -2.269 6.508) 7.473 3.697 ( -8.135 2.240 -12.189) 14.824 4.181 ( -19.811 14.287 4.226) 24.788 4.227 ( 5.541 2.677 -3.540) 7.100 4.874 ( 0.419 2.284 3.457) 4.165 5.148 ( 2.260 -6.211 -2.665) 7.127 5.232 ( 2.590 -0.913 1.800) 3.284 5.403 ( 3.630 2.009 -6.091) 7.370 5.548 ( -0.791 0.338 0.612) 1.056 5.778 ( 3.109 -3.147 4.757) 6.496 5.833 ( 2.386 8.453 -10.999) 14.076 5.922 ( 2.254 -4.312 -1.430) 5.072 6.092 ( 11.055 1.684 5.208) 12.336 6.306 ( 12.462 -1.388 2.253) 12.740 6.418 ( 0.047 9.101 -5.054) 10.410 6.730 ( 7.301 -3.871 4.766) 9.539 6.792 ( -10.540 -8.093 4.530) 14.040 7.056 ( -5.327 -5.105 -5.579) 9.250 7.215 ( -9.226 7.879 -8.927) 15.063 7.433 ( -4.530 2.415 -1.939) 5.487 7.920 ( 1.421 7.518 6.519) 10.052 8.448 ( -11.454 -7.027 -0.052) 13.438 8.785 ( 8.472 -3.325 -7.936) 12.075 8.920 ( 0.664 -1.552 -9.393) 9.543 8.974 ( -3.191 2.646 -2.675) 4.934 9.284 ( 9.722 -6.017 -7.042) 13.428 9.573 ( 11.972 2.383 5.662) 13.456 10.019 ( 4.006 -4.463 4.395) 7.435 10.568 ( -4.318 1.745 -6.965) 8.379 10.719 ( -2.806 -2.247 -2.733) 4.516 11.028 ( -1.361 1.184 0.588) 1.897 11.232 ( 3.282 3.984 1.842) 5.480 12.110 ( -2.453 -7.824 -5.778) 10.031 12.229 ( 9.363 -5.359 3.156) 11.240 12.513 ( 1.797 -1.602 13.253) 13.470 12.733 ( 0.686 -4.296 4.148) 6.011 12.975 ( -8.520 5.205 2.419) 10.273 13.591 ( -1.128 -5.355 -10.291) 11.656 14.145 ( 6.905 1.959 16.888) 18.350 14.274 ( 9.019 -3.506 12.067) 15.468 14.596 ( 2.709 -0.425 2.061) 3.430 14.732 ( -2.189 -9.428 0.560) 9.695 14.951 ( -3.883 8.183 4.666) 10.188 15.720 ( -1.448 5.994 0.945) 6.239 16.180 ( 12.718 19.847 2.638) 23.719 17.594 ( -1.502 -8.338 -1.196) 8.556 18.243 ( -0.361 2.433 -7.244) 7.650 18.500 ( -1.669 -2.031 -9.661) 10.012 24.779 ( 3.348 1.344 4.141) 5.492 25.127 ( 5.944 -3.930 6.258) 9.483 26.763 ( -3.250 -0.400 -0.927) 3.403 27.098 ( -3.364 -6.703 -0.286) 7.505 28.198 ( -3.267 1.772 0.608) 3.766 28.290 ( -3.508 6.290 1.298) 7.318 28.432 ( -5.215 3.968 -0.733) 6.594 28.571 ( -2.123 4.188 -2.327) 5.241 28.951 ( 4.864 -1.478 11.717) 12.772 29.043 ( 0.176 -0.719 -0.288) 0.794 29.818 ( 0.158 0.274 0.264) 0.412 29.953 ( 4.320 -2.073 -2.483) 5.396 30.194 ( 7.313 11.298 -5.525) 14.548 31.815 ( -7.519 -15.642 -16.851) 24.190 ======================= Grid point 251 (133/156) ======================= q-point: (-0.18 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -17.442 2.771 21.005) 27.443 2.474 ( -13.724 -3.921 29.232) 32.531 2.906 ( 0.399 13.741 -6.132) 15.052 3.348 ( 3.173 -7.027 7.298) 10.616 3.362 ( -11.842 4.064 -11.441) 16.960 3.598 ( 14.526 -2.599 5.232) 15.657 3.933 ( -12.695 16.308 16.180) 26.246 4.299 ( 4.271 -1.768 -3.010) 5.516 4.908 ( 0.652 -1.014 4.032) 4.208 5.146 ( -0.794 -6.169 -10.659) 12.341 5.241 ( -0.580 -4.385 1.499) 4.670 5.464 ( -5.127 -2.214 -2.855) 6.272 5.477 ( 8.261 3.986 -8.503) 12.508 5.750 ( -3.882 8.647 -2.676) 9.849 5.866 ( 2.740 -3.962 -6.386) 7.999 5.949 ( 0.751 -3.548 3.335) 4.927 6.250 ( -7.170 3.074 2.775) 8.280 6.313 ( 1.461 9.319 3.815) 10.175 6.598 ( 14.391 -2.521 -8.131) 16.721 6.734 ( 4.946 -1.906 1.299) 5.457 6.899 ( 3.376 1.260 1.436) 3.880 7.023 ( 2.108 -7.696 1.067) 8.051 7.048 ( 3.572 5.098 -3.080) 6.945 7.326 ( -4.981 1.439 -3.096) 6.038 7.988 ( 1.436 1.820 3.386) 4.104 8.237 ( -10.227 -2.862 -1.332) 10.703 8.613 ( -13.644 -3.870 -20.531) 24.953 8.792 ( -4.284 6.605 -2.238) 8.184 9.129 ( 9.833 -5.454 5.059) 12.330 9.411 ( 9.102 -8.061 -10.700) 16.196 9.821 ( 8.178 7.562 6.869) 13.086 10.067 ( 0.395 -0.317 -3.363) 3.401 10.476 ( 1.900 0.793 -1.973) 2.852 10.708 ( 1.294 -1.409 0.777) 2.064 11.031 ( 0.433 -3.755 -0.631) 3.832 11.317 ( 4.971 4.973 3.494) 7.852 12.029 ( -2.668 -9.052 -5.350) 10.848 12.379 ( 1.438 -4.240 8.275) 9.409 12.608 ( -0.033 0.076 10.912) 10.912 12.739 ( -2.515 3.301 -1.380) 4.373 12.851 ( -3.060 0.347 2.958) 4.270 13.492 ( -3.479 -3.679 -8.893) 10.233 14.372 ( 5.930 -2.830 8.213) 10.518 14.510 ( 9.105 -3.655 12.158) 15.623 14.581 ( -3.606 -3.913 -0.479) 5.343 14.865 ( 10.711 -15.945 9.651) 21.497 15.019 ( 6.521 11.436 14.217) 19.376 15.682 ( -2.626 5.130 1.252) 5.897 16.458 ( 15.299 22.339 2.124) 27.158 17.548 ( -2.134 -7.195 -1.085) 7.583 18.164 ( -2.437 3.252 -10.091) 10.879 18.380 ( -3.928 -0.393 -10.816) 11.514 24.905 ( 7.256 0.182 5.218) 8.939 25.287 ( 6.148 -5.683 9.645) 12.772 26.702 ( -2.711 0.042 -0.869) 2.847 27.003 ( -6.837 -7.256 -0.858) 10.006 28.133 ( -3.701 0.914 1.280) 4.022 28.262 ( -0.323 7.550 -0.662) 7.586 28.341 ( -4.292 5.419 0.013) 6.913 28.523 ( -2.170 5.449 -0.584) 5.895 29.058 ( 2.193 -0.355 -0.358) 2.250 29.132 ( 5.405 -1.395 15.443) 16.421 29.816 ( -0.055 0.091 -1.100) 1.105 30.022 ( 5.538 -3.280 -5.901) 8.732 30.273 ( 5.245 8.722 -5.907) 11.768 31.459 ( -18.460 -12.619 -22.208) 31.515 ======================= Grid point 252 (134/156) ======================= q-point: (-0.09 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -17.873 2.632 18.712) 26.010 2.456 ( -10.915 9.335 23.607) 27.633 2.893 ( 4.042 13.811 -8.544) 16.735 3.057 ( -11.371 9.025 -9.125) 17.147 3.460 ( 3.308 -4.450 11.603) 12.860 3.905 ( 9.749 -7.519 0.959) 12.349 3.934 ( 0.852 4.942 27.065) 27.526 4.334 ( 0.255 -6.463 -0.502) 6.488 4.928 ( -2.258 -7.872 -4.992) 9.591 4.994 ( -2.271 0.278 -10.465) 10.712 5.261 ( 2.135 0.158 -3.880) 4.431 5.354 ( -4.163 -1.907 -2.304) 5.126 5.494 ( -4.350 -0.448 -6.107) 7.512 5.681 ( 2.202 5.637 -2.033) 6.384 5.857 ( -1.115 2.199 -2.460) 3.483 5.982 ( 0.724 -2.679 0.644) 2.849 6.166 ( 1.477 6.709 -1.851) 7.115 6.320 ( -5.887 5.033 5.870) 9.719 6.641 ( 2.247 -3.871 -11.797) 12.617 6.791 ( -0.984 4.887 -1.616) 5.240 7.005 ( 8.702 0.412 6.747) 11.019 7.125 ( 1.628 -4.688 -0.196) 4.966 7.177 ( 6.478 -1.113 -2.039) 6.882 7.364 ( 12.176 -5.927 2.012) 13.690 7.952 ( -6.058 -8.720 2.201) 10.843 8.030 ( -12.371 -3.615 -16.204) 20.705 8.320 ( -3.923 8.793 0.097) 9.629 8.696 ( -4.318 9.641 -3.774) 11.217 9.255 ( -2.664 -9.777 10.113) 14.316 9.474 ( 6.191 -4.909 -12.195) 14.531 9.906 ( 0.974 10.948 0.551) 11.005 10.086 ( 4.429 3.171 -0.919) 5.524 10.573 ( 5.342 0.447 -0.189) 5.364 10.761 ( 3.571 -1.785 0.058) 3.993 11.014 ( -0.932 -8.450 -0.953) 8.555 11.478 ( 10.056 2.888 4.018) 11.208 11.934 ( -5.562 -7.187 -3.475) 9.730 12.332 ( -10.334 -2.552 9.307) 14.140 12.670 ( 2.312 3.372 4.715) 6.241 12.719 ( 2.090 4.658 -0.473) 5.127 12.882 ( 2.587 -0.555 1.257) 2.929 13.353 ( -7.317 1.042 -3.597) 8.219 14.443 ( 0.300 -1.587 0.981) 1.890 14.482 ( -2.899 -5.555 -2.967) 6.933 14.809 ( 10.433 -9.026 14.561) 20.059 15.076 ( 9.352 -10.227 2.067) 14.012 15.289 ( 6.641 4.508 12.893) 15.187 15.693 ( 3.399 -5.084 5.840) 8.456 16.694 ( 9.360 22.262 -4.016) 24.481 17.534 ( 0.740 -1.488 1.489) 2.231 18.046 ( -2.969 1.924 -8.770) 9.457 18.251 ( -3.209 0.488 -7.717) 8.372 25.083 ( 7.950 -1.981 3.641) 8.966 25.467 ( 7.080 -9.302 10.041) 15.410 26.664 ( -0.792 -0.405 -0.384) 0.969 26.850 ( -8.541 -5.762 -1.642) 10.433 28.099 ( -0.578 -1.356 0.173) 1.484 28.249 ( -0.789 2.178 -0.914) 2.490 28.292 ( -1.062 11.133 0.518) 11.196 28.489 ( -1.268 9.031 0.202) 9.121 29.131 ( 5.681 1.441 1.217) 5.986 29.328 ( 4.382 -1.292 17.791) 18.368 29.798 ( -0.701 -0.168 -3.426) 3.501 30.047 ( 2.812 -2.992 -13.003) 13.636 30.306 ( 1.499 4.657 -4.047) 6.349 30.922 ( -24.278 -6.085 -15.307) 29.339 ======================= Grid point 253 (135/156) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 4.010 21.932 13.284) 25.953 2.695 ( -3.907 13.762 7.906) 16.345 2.993 ( 0.135 0.185 -4.903) 4.909 3.109 ( 0.275 1.992 -2.744) 3.402 3.578 ( 2.865 -11.120 11.756) 16.434 3.783 ( 1.743 -10.193 3.387) 10.882 4.030 ( 1.526 1.892 -4.871) 5.444 4.210 ( -5.631 7.933 8.504) 12.922 4.648 ( -2.863 -7.132 -2.902) 8.215 4.885 ( 0.960 -9.887 -6.437) 11.837 5.249 ( 0.210 1.279 1.625) 2.078 5.412 ( 5.172 -2.592 3.729) 6.883 5.558 ( -3.258 15.058 -0.234) 15.408 5.730 ( -3.009 1.082 3.263) 4.569 5.892 ( 0.976 4.469 -11.269) 12.162 6.137 ( 4.375 13.553 2.315) 14.429 6.251 ( -8.200 -0.467 2.725) 8.653 6.340 ( 3.333 2.646 -5.054) 6.607 6.490 ( 0.404 -4.389 -1.415) 4.629 6.842 ( -6.399 -12.855 -0.479) 14.367 6.904 ( 3.326 2.147 0.048) 3.959 7.115 ( 4.928 -6.587 1.355) 8.337 7.271 ( 3.343 -3.995 0.118) 5.210 7.310 ( -0.894 -3.205 -2.063) 3.915 7.632 ( -6.907 -1.133 -6.656) 9.659 7.771 ( 0.561 -6.997 -1.869) 7.264 8.607 ( 1.930 12.864 3.710) 13.527 8.817 ( -1.789 7.630 -4.644) 9.110 9.077 ( -1.772 -4.405 5.318) 7.129 9.340 ( 0.763 -9.007 -6.957) 11.406 10.109 ( -2.995 9.565 3.171) 10.512 10.273 ( 3.221 4.076 1.077) 5.305 10.656 ( 0.757 1.633 -0.843) 1.988 10.727 ( 1.247 -4.520 -2.892) 5.509 10.865 ( -1.606 -1.139 -2.529) 3.205 11.263 ( -1.601 -20.084 -3.640) 20.474 12.018 ( 3.457 8.240 2.363) 9.243 12.219 ( 0.215 -2.878 5.628) 6.325 12.808 ( 0.772 2.790 3.670) 4.674 12.861 ( -1.529 3.531 5.015) 6.321 12.980 ( 4.841 7.343 -6.536) 10.958 13.278 ( -5.230 0.437 1.684) 5.511 14.341 ( -2.122 -1.614 1.098) 2.883 14.403 ( 0.311 -3.048 1.952) 3.633 14.785 ( 2.081 -9.245 6.033) 11.233 14.922 ( 4.686 -12.797 -5.724) 14.781 15.493 ( 0.944 5.586 1.991) 6.005 15.694 ( 2.875 -4.740 6.621) 8.635 17.121 ( 0.959 16.289 -3.348) 16.657 17.575 ( 1.385 -3.934 1.753) 4.524 17.989 ( -3.516 3.999 -4.363) 6.884 18.164 ( -2.427 -1.910 -3.965) 5.026 25.135 ( 0.414 -0.867 2.206) 2.406 25.350 ( 2.436 -12.148 3.032) 12.755 26.640 ( 0.408 -1.267 0.119) 1.336 26.660 ( -1.794 -1.946 -1.398) 2.993 28.091 ( 0.939 1.051 -0.847) 1.644 28.190 ( 0.324 -2.738 -0.529) 2.808 28.567 ( -1.216 11.189 1.822) 11.401 28.695 ( 2.323 6.301 -1.092) 6.804 29.334 ( 4.282 5.166 4.670) 8.175 29.467 ( 3.679 -1.832 14.877) 15.435 29.729 ( -3.394 0.715 -6.889) 7.713 29.865 ( -4.303 -4.697 -12.458) 13.992 30.346 ( -2.268 5.040 -3.132) 6.353 30.541 ( -3.012 -3.653 -1.549) 4.981 ======================= Grid point 254 (136/156) ======================= q-point: ( 0.09 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 3.589 16.420 0.451) 16.813 2.770 ( 7.806 13.099 9.929) 18.196 2.948 ( -2.357 0.559 -2.564) 3.527 3.162 ( 6.725 0.583 -3.678) 7.688 3.651 ( 0.454 -11.846 2.970) 12.221 3.773 ( -2.395 -1.794 -4.721) 5.589 4.040 ( 1.994 -1.453 -5.469) 6.000 4.250 ( 3.782 8.219 11.736) 14.819 4.646 ( 1.587 -5.806 4.521) 7.528 4.866 ( 1.205 -11.687 -4.343) 12.526 5.290 ( 3.084 2.905 1.071) 4.370 5.454 ( 0.291 -1.905 -3.826) 4.284 5.559 ( -1.524 13.250 4.416) 14.050 5.726 ( 0.951 3.143 6.322) 7.124 5.848 ( 0.141 3.892 -6.960) 7.976 6.043 ( -8.463 7.281 -1.664) 11.288 6.236 ( 1.966 4.350 2.715) 5.492 6.422 ( 0.137 1.817 3.468) 3.917 6.477 ( 3.588 -5.053 -6.291) 8.831 6.723 ( -6.789 -6.835 3.730) 10.330 6.989 ( 4.060 -3.063 -0.152) 5.088 7.065 ( -6.324 -8.299 -5.693) 11.886 7.232 ( -4.321 1.899 -2.471) 5.327 7.265 ( -3.580 -4.442 -1.904) 6.015 7.678 ( 9.111 -0.444 7.579) 11.859 7.839 ( 6.920 -7.305 -0.591) 10.080 8.641 ( 0.490 13.085 -1.650) 13.197 8.784 ( 0.083 5.164 1.341) 5.336 9.075 ( -2.994 -3.791 6.869) 8.398 9.273 ( -2.963 -8.093 -7.133) 11.187 10.066 ( -4.133 7.579 4.224) 9.611 10.258 ( -4.032 3.427 -3.175) 6.171 10.615 ( -3.589 1.256 -2.251) 4.419 10.697 ( -2.160 -3.193 -1.367) 4.091 10.864 ( 1.415 -2.827 0.861) 3.277 11.205 ( -2.718 -17.368 1.450) 17.639 12.085 ( 3.281 8.876 -4.279) 10.386 12.331 ( 8.566 -3.838 1.442) 9.497 12.778 ( -6.768 6.927 4.457) 10.661 12.863 ( 0.371 2.688 -1.935) 3.333 12.999 ( 2.813 2.602 -8.830) 9.625 13.169 ( -9.339 -1.883 9.863) 13.713 14.354 ( 1.772 -0.798 3.932) 4.386 14.431 ( 1.597 -1.636 0.072) 2.287 14.798 ( -2.857 -10.530 0.989) 10.956 14.880 ( -2.487 -11.025 -12.046) 16.518 15.550 ( 4.260 5.939 -1.115) 7.394 15.769 ( 3.500 -3.974 -2.398) 5.813 17.056 ( -5.767 17.207 -2.822) 18.366 17.519 ( -7.059 -4.160 -1.428) 8.317 17.960 ( 0.146 3.532 4.316) 5.579 18.123 ( -1.686 -2.200 3.142) 4.190 25.103 ( -4.069 0.384 -0.237) 4.094 25.361 ( -2.043 -12.716 -1.922) 13.022 26.653 ( 1.445 -0.591 -0.472) 1.631 26.690 ( 4.239 -3.475 1.898) 5.801 28.130 ( 4.373 1.488 -2.016) 5.040 28.225 ( 3.584 -2.107 -0.702) 4.217 28.551 ( -1.374 10.563 1.656) 10.780 28.735 ( 3.216 5.119 -3.220) 6.850 29.246 ( -11.180 8.570 -3.927) 14.623 29.589 ( -0.127 -4.169 2.937) 5.102 29.661 ( -2.265 0.173 -7.239) 7.587 29.770 ( 1.076 -3.095 7.922) 8.573 30.343 ( 1.338 5.581 1.717) 5.991 30.598 ( 7.342 -5.721 4.689) 10.422 ======================= Grid point 255 (137/156) ======================= q-point: ( 0.18 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 4.013 6.420 0.165) 7.573 2.905 ( 3.141 -5.121 -8.102) 10.087 2.993 ( 8.731 9.271 3.144) 13.118 3.275 ( 7.249 -1.006 -5.210) 8.983 3.643 ( -2.164 1.704 0.587) 2.817 3.699 ( 2.830 6.782 -13.296) 15.192 4.047 ( 0.328 -5.036 1.975) 5.420 4.403 ( 5.269 7.384 4.575) 10.160 4.720 ( 3.143 -7.118 5.844) 9.731 4.928 ( 5.776 -5.571 3.032) 8.578 5.313 ( -1.520 2.140 -5.887) 6.446 5.422 ( 0.201 1.929 0.972) 2.169 5.588 ( -0.613 7.999 10.555) 13.258 5.683 ( -6.753 7.924 -2.762) 10.771 5.872 ( 1.606 -1.018 4.934) 5.288 5.934 ( -1.286 3.809 -4.101) 5.742 6.277 ( -7.188 -0.553 8.570) 11.199 6.373 ( 4.811 0.221 -5.283) 7.149 6.533 ( 0.722 -7.689 -0.917) 7.777 6.629 ( -7.387 2.904 2.986) 8.480 6.882 ( -6.740 -10.287 -6.773) 14.040 7.003 ( -2.720 -5.463 -6.668) 9.039 7.169 ( -0.620 6.147 -0.720) 6.220 7.225 ( 1.295 0.855 5.802) 6.006 7.922 ( 8.513 -1.459 10.009) 13.221 7.995 ( 9.764 -5.174 4.912) 12.092 8.612 ( -1.282 10.972 -3.401) 11.559 8.829 ( 2.442 1.479 3.030) 4.163 9.031 ( -7.453 -0.437 7.892) 10.863 9.171 ( -2.026 -9.782 -9.006) 13.450 10.006 ( -5.717 3.475 2.625) 7.187 10.120 ( -6.519 2.353 -6.132) 9.254 10.540 ( -1.318 2.168 -3.153) 4.047 10.651 ( -2.483 -3.348 0.818) 4.248 10.908 ( 1.800 -1.171 3.037) 3.720 11.211 ( 0.830 -12.150 5.095) 13.201 12.056 ( -2.077 8.352 -7.387) 11.341 12.409 ( -3.819 -7.177 -6.056) 10.138 12.724 ( 0.531 8.452 7.014) 10.996 12.841 ( -0.092 3.527 -3.420) 4.914 12.954 ( -2.474 -2.510 -5.512) 6.543 13.147 ( 1.086 -6.274 9.314) 11.282 14.428 ( 1.386 0.193 1.913) 2.370 14.453 ( 2.313 0.554 0.781) 2.503 14.691 ( -5.484 -8.652 -10.986) 15.021 14.742 ( -4.019 -9.909 -8.148) 13.444 15.568 ( -0.157 8.995 -9.544) 13.116 15.803 ( 4.418 -0.865 -7.682) 8.904 16.895 ( -10.752 16.820 -0.527) 19.970 17.365 ( -6.996 -7.196 -0.010) 10.036 18.020 ( 0.824 3.251 9.742) 10.303 18.144 ( -0.592 -1.706 9.624) 9.792 25.007 ( -5.071 1.932 -2.525) 5.985 25.261 ( -6.322 -10.006 -3.604) 12.372 26.693 ( 2.927 0.272 -0.009) 2.940 26.800 ( 5.673 -5.795 2.654) 8.532 28.214 ( 6.020 2.062 -2.918) 7.001 28.296 ( 4.599 -0.999 -0.852) 4.783 28.549 ( 0.334 10.002 1.218) 10.081 28.758 ( 2.102 5.656 -5.562) 8.207 29.044 ( -7.660 4.476 -1.004) 8.929 29.395 ( -8.104 -6.715 -15.874) 19.047 29.723 ( 1.449 2.859 8.718) 9.289 29.850 ( 1.043 -1.555 6.422) 6.689 30.371 ( -0.284 8.722 3.046) 9.243 30.830 ( 10.988 -11.805 12.274) 20.267 ======================= Grid point 256 (138/156) ======================= q-point: ( 0.27 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 1.727 6.348 2.624) 7.083 2.996 ( 13.884 -5.452 -14.505) 20.806 3.069 ( 3.289 3.021 -13.087) 13.828 3.300 ( 0.792 -5.434 -7.222) 9.073 3.596 ( -1.708 8.548 -1.260) 8.807 3.762 ( 9.581 8.485 -8.476) 15.350 4.082 ( -0.299 2.536 8.665) 9.034 4.493 ( 3.895 3.698 0.839) 5.437 4.823 ( 2.147 -1.924 6.981) 7.553 5.026 ( 2.203 -1.393 0.494) 2.653 5.235 ( -3.490 1.303 -1.885) 4.175 5.400 ( -4.533 6.115 5.050) 9.135 5.564 ( -3.579 -1.428 -0.333) 3.868 5.658 ( -0.156 0.104 8.785) 8.787 5.862 ( -0.032 -0.949 -7.060) 7.123 5.933 ( -2.221 8.545 1.892) 9.029 6.140 ( -7.314 -0.744 3.750) 8.253 6.373 ( -13.888 4.416 -1.658) 14.668 6.473 ( -5.061 -0.311 1.297) 5.233 6.539 ( 0.619 -11.348 4.752) 12.319 6.797 ( 4.913 -3.329 -7.562) 9.613 6.947 ( 1.918 -5.860 -5.939) 8.561 7.220 ( 4.029 5.272 5.632) 8.703 7.319 ( 2.494 -0.333 8.537) 8.900 8.075 ( 5.307 1.636 3.642) 6.642 8.238 ( 9.723 -6.632 9.974) 15.427 8.568 ( -1.864 6.815 -1.301) 7.184 8.843 ( -5.477 -1.396 1.038) 5.747 8.968 ( 0.214 1.374 3.102) 3.400 9.092 ( -2.382 -6.934 -2.607) 7.781 9.859 ( -7.154 3.809 -8.273) 11.582 10.008 ( -3.282 -1.158 -3.752) 5.118 10.544 ( 1.751 2.559 0.777) 3.197 10.630 ( -0.352 -3.075 1.967) 3.667 10.961 ( 1.334 1.597 4.624) 5.071 11.271 ( 1.802 -6.859 4.612) 8.459 11.962 ( -2.709 2.253 -5.081) 6.183 12.194 ( -12.565 -4.891 -4.332) 14.163 12.695 ( -4.409 0.572 -5.782) 7.294 12.818 ( -4.331 -0.741 -3.881) 5.862 12.988 ( 7.450 3.171 6.718) 10.521 13.290 ( 8.857 -6.655 4.933) 12.127 14.364 ( -4.767 1.616 -7.778) 9.264 14.495 ( -2.588 -2.157 -8.824) 9.445 14.570 ( 2.472 -5.572 -1.694) 6.327 14.635 ( -2.789 -5.351 -5.167) 7.944 15.448 ( -2.538 12.798 -15.259) 20.076 15.810 ( 0.768 -2.799 -8.803) 9.269 16.681 ( -11.318 20.358 0.088) 23.293 17.306 ( -1.965 -11.200 5.070) 12.450 18.095 ( 0.117 2.448 11.215) 11.480 18.210 ( -0.115 -2.544 12.633) 12.887 24.903 ( -4.136 2.564 -3.438) 5.958 25.114 ( -6.997 -6.982 -3.375) 10.445 26.749 ( 2.999 0.738 0.229) 3.097 26.906 ( 3.978 -6.677 2.549) 8.180 28.285 ( 3.177 3.152 -2.332) 5.047 28.375 ( 4.909 -0.971 -1.901) 5.353 28.576 ( 1.838 8.881 0.197) 9.071 28.751 ( 1.953 6.914 -6.030) 9.380 28.969 ( -1.740 -1.355 1.757) 2.820 29.165 ( -6.646 -4.984 -13.013) 15.438 29.783 ( 0.105 2.962 5.764) 6.482 29.883 ( -0.053 -0.952 2.097) 2.304 30.371 ( -2.058 13.868 4.046) 14.592 31.099 ( 8.536 -18.310 14.915) 25.111 ======================= Grid point 257 (139/156) ======================= q-point: ( 0.36 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 0.978 14.177 -3.512) 14.638 2.945 ( -0.721 7.125 -19.641) 20.906 3.173 ( 6.581 -6.989 -11.051) 14.638 3.322 ( 12.296 -4.279 -7.749) 15.151 3.595 ( 0.192 14.181 2.076) 14.333 3.845 ( 5.190 1.664 -7.159) 8.997 4.075 ( -9.603 8.309 9.075) 15.608 4.571 ( 1.811 -0.874 5.483) 5.840 4.871 ( 1.852 1.419 2.991) 3.793 5.047 ( 1.971 0.825 -1.419) 2.565 5.148 ( -5.821 2.883 5.196) 8.318 5.384 ( 0.142 -1.306 -1.900) 2.310 5.518 ( -2.625 -1.330 3.241) 4.377 5.656 ( -5.789 -6.391 2.322) 8.930 5.788 ( -4.106 3.689 -1.655) 5.763 5.824 ( -6.219 -0.732 -4.374) 7.639 6.091 ( -10.789 4.766 -4.774) 12.724 6.135 ( 2.348 1.620 0.651) 2.926 6.447 ( -0.644 -0.242 8.700) 8.727 6.499 ( -5.962 -4.767 1.093) 7.712 6.910 ( 4.733 -4.697 -5.771) 8.819 7.021 ( 10.364 -5.049 3.327) 11.999 7.340 ( 3.300 1.599 8.258) 9.035 7.409 ( 1.833 -0.532 8.668) 8.875 8.185 ( 6.649 5.227 -2.759) 8.896 8.410 ( 1.291 -6.232 3.410) 7.220 8.545 ( 1.334 2.114 1.887) 3.132 8.708 ( -7.291 -2.735 0.642) 7.813 8.991 ( -1.414 0.996 3.113) 3.561 9.105 ( 3.543 -2.124 3.610) 5.486 9.696 ( -2.992 5.742 -13.058) 14.575 9.911 ( -4.813 -3.473 -5.150) 7.858 10.580 ( 0.727 1.278 3.527) 3.821 10.663 ( 1.604 -3.337 2.536) 4.487 11.016 ( 1.314 4.704 6.099) 7.814 11.330 ( 2.858 -2.177 1.656) 3.956 11.920 ( -0.282 -6.662 -0.794) 6.715 11.961 ( -10.118 -3.470 -1.668) 10.826 12.559 ( -5.549 0.264 -6.674) 8.684 12.692 ( -5.553 -4.615 -6.092) 9.447 13.162 ( 6.058 8.283 7.538) 12.733 13.495 ( 10.217 -6.509 2.541) 12.378 14.202 ( -6.334 2.528 -9.663) 11.827 14.334 ( -4.967 -2.054 -14.378) 15.350 14.586 ( -0.039 -0.897 -3.061) 3.190 14.639 ( 2.910 -3.901 1.572) 5.115 15.341 ( 0.696 9.698 -11.505) 15.063 15.697 ( -6.576 -5.354 -9.495) 12.731 16.535 ( -5.195 24.334 1.633) 24.936 17.322 ( -0.593 -13.484 5.542) 14.591 18.164 ( 0.213 1.760 9.979) 10.135 18.289 ( 0.224 -3.917 11.838) 12.471 24.822 ( -2.441 2.318 -3.008) 4.515 24.981 ( -5.434 -4.766 -2.543) 7.663 26.798 ( 2.142 0.639 0.230) 2.248 26.972 ( 1.766 -6.724 1.982) 7.229 28.304 ( 0.765 4.152 -1.671) 4.541 28.439 ( 3.295 -2.039 -2.068) 4.392 28.605 ( 1.929 6.350 -2.019) 6.937 28.766 ( 2.209 5.130 -3.009) 6.344 28.936 ( -2.731 -1.901 -4.076) 5.261 29.042 ( -0.129 -1.225 -3.300) 3.523 29.802 ( -0.903 2.462 3.384) 4.281 29.884 ( -0.346 -1.138 -0.262) 1.218 30.356 ( -2.050 18.919 4.030) 19.451 31.310 ( 5.276 -22.924 12.553) 26.663 ======================= Grid point 258 (140/156) ======================= q-point: ( 0.45 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -4.678 11.587 -8.797) 15.282 2.833 ( -2.166 12.878 -9.883) 16.377 3.211 ( 4.764 7.836 -7.045) 11.564 3.505 ( 1.951 9.507 0.813) 9.739 3.586 ( 2.422 4.314 -1.476) 5.163 3.873 ( -9.660 -0.256 3.073) 10.140 3.922 ( 3.892 4.704 -1.185) 6.219 4.564 ( -4.120 -9.491 2.881) 10.740 4.993 ( 8.227 1.761 1.482) 8.543 5.103 ( 3.081 3.604 2.760) 5.486 5.135 ( 1.421 2.669 5.871) 6.604 5.346 ( -1.588 -3.505 -4.247) 5.731 5.463 ( -10.137 0.443 -5.757) 11.666 5.521 ( 0.957 4.172 1.911) 4.688 5.664 ( -5.798 -8.240 -7.840) 12.766 5.806 ( 2.315 -4.306 4.460) 6.618 5.935 ( -4.472 0.792 -1.410) 4.756 6.169 ( 1.563 -2.336 -3.079) 4.169 6.389 ( -5.627 0.726 0.267) 5.680 6.558 ( 4.490 2.733 11.918) 13.026 6.887 ( -1.482 -1.996 -6.977) 7.407 7.256 ( 8.524 -8.827 6.175) 13.737 7.435 ( 2.223 1.917 8.390) 8.889 7.495 ( 1.754 0.591 6.863) 7.108 8.241 ( 1.065 5.563 -9.846) 11.359 8.346 ( -2.396 -0.302 -2.820) 3.713 8.583 ( -2.980 -1.299 6.991) 7.710 8.673 ( 2.398 -7.393 1.616) 7.938 9.004 ( 1.048 4.511 3.735) 5.950 9.190 ( 2.501 -1.823 1.661) 3.512 9.603 ( 0.660 3.979 -7.928) 8.895 9.769 ( -6.812 -3.070 -5.909) 9.527 10.619 ( 1.203 0.656 2.907) 3.214 10.694 ( 0.284 -3.504 1.942) 4.017 11.088 ( 2.171 5.963 6.026) 8.751 11.391 ( 2.693 -1.017 -0.323) 2.897 11.798 ( -5.388 -1.088 -1.277) 5.643 11.951 ( 1.531 -12.347 2.700) 12.731 12.430 ( -4.381 0.362 -4.740) 6.465 12.560 ( -4.590 -5.710 -5.020) 8.881 13.297 ( 3.913 12.271 6.605) 14.475 13.654 ( 6.227 -4.957 -1.472) 8.094 14.025 ( -6.953 3.716 -6.080) 9.955 14.185 ( -2.599 -0.258 -9.826) 10.167 14.575 ( 0.870 1.008 -3.616) 3.853 14.686 ( 1.416 -4.632 0.832) 4.914 15.336 ( 4.427 2.608 -5.798) 7.747 15.494 ( -9.098 -3.875 -6.706) 11.948 16.494 ( -1.090 25.301 1.528) 25.371 17.344 ( -0.201 -14.269 3.827) 14.775 18.227 ( 0.949 1.376 6.599) 6.808 18.363 ( 1.141 -4.852 7.931) 9.367 24.777 ( -1.011 1.772 -1.745) 2.685 24.894 ( -2.667 -3.405 -1.321) 4.522 26.827 ( 0.957 0.355 -0.001) 1.021 27.001 ( 0.498 -6.658 1.200) 6.784 28.303 ( 0.385 3.963 -1.475) 4.246 28.464 ( 0.588 -2.516 -1.038) 2.785 28.619 ( 1.283 4.236 -3.209) 5.467 28.760 ( -1.279 -0.213 -1.282) 1.823 28.882 ( 0.017 5.644 -3.595) 6.691 29.051 ( 0.633 -0.403 0.554) 0.932 29.803 ( -0.592 1.562 1.925) 2.549 29.873 ( -0.356 -1.415 -0.789) 1.659 30.357 ( 0.098 22.334 2.346) 22.457 31.448 ( 3.151 -25.534 7.417) 26.775 ======================= Grid point 259 (141/156) ======================= q-point: (-0.45 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -5.256 10.151 0.352) 11.436 2.734 ( -5.071 15.038 0.494) 15.877 3.126 ( -9.748 4.365 0.918) 10.720 3.452 ( -15.629 4.903 4.253) 16.923 3.570 ( 0.545 9.563 2.130) 9.812 3.831 ( 3.368 -0.289 1.076) 3.547 4.054 ( 12.152 5.303 -7.333) 15.152 4.564 ( 3.086 -8.428 2.143) 9.228 5.067 ( -1.164 2.512 -3.983) 4.851 5.142 ( -1.594 2.996 2.058) 3.969 5.222 ( 0.490 0.478 -1.792) 1.919 5.276 ( -4.208 -3.053 -0.019) 5.199 5.376 ( 9.697 3.535 0.041) 10.322 5.555 ( 2.003 -3.160 -0.004) 3.741 5.615 ( 5.628 1.245 -4.142) 7.098 5.833 ( 0.193 -1.605 -1.373) 2.121 5.936 ( 3.162 -3.397 2.274) 5.168 6.144 ( -2.564 -5.108 -1.893) 6.021 6.347 ( 0.718 3.197 3.608) 4.874 6.707 ( 3.165 -0.195 10.001) 10.492 6.793 ( -2.422 1.826 -9.727) 10.189 7.326 ( -3.118 -11.270 -0.131) 11.695 7.507 ( -0.755 3.878 4.091) 5.687 7.554 ( 1.563 1.467 2.570) 3.346 8.137 ( -4.282 7.657 -2.405) 9.097 8.354 ( 4.755 -2.396 -4.642) 7.064 8.577 ( -3.297 -1.886 6.850) 7.832 8.719 ( 2.774 -8.962 -1.244) 9.464 9.068 ( 3.478 4.818 0.526) 5.965 9.193 ( -0.293 0.900 -3.437) 3.565 9.584 ( -6.211 0.015 -1.788) 6.463 9.662 ( 3.171 -2.905 1.324) 4.500 10.647 ( 0.387 0.459 0.287) 0.666 10.711 ( 0.776 -3.697 0.742) 3.850 11.149 ( 1.367 5.790 1.432) 6.119 11.388 ( -2.632 1.489 -0.812) 3.131 11.777 ( 3.405 -2.005 0.517) 3.986 11.987 ( 0.731 -14.569 0.111) 14.588 12.361 ( -1.464 1.326 1.116) 2.268 12.488 ( -1.354 -6.149 0.883) 6.358 13.363 ( -0.647 13.740 2.268) 13.941 13.675 ( -0.616 -2.894 -7.896) 8.433 13.936 ( -1.503 3.091 5.701) 6.657 14.112 ( -0.979 -0.976 -3.649) 3.902 14.568 ( 0.780 1.807 -3.351) 3.887 14.699 ( -0.217 -4.645 -0.332) 4.662 15.300 ( -7.120 1.546 -2.942) 7.857 15.434 ( 6.796 -4.586 -0.394) 8.208 16.501 ( 0.954 25.813 0.833) 25.844 17.364 ( 0.427 -14.376 1.851) 14.501 18.278 ( 1.657 1.537 1.889) 2.945 18.426 ( 2.209 -5.162 2.151) 6.012 24.759 ( -0.307 1.857 -0.122) 1.886 24.875 ( 0.873 -3.241 0.406) 3.381 26.832 ( -0.267 0.434 -0.430) 0.667 27.009 ( -0.140 -6.735 0.423) 6.750 28.301 ( 0.225 3.648 -1.298) 3.878 28.453 ( -1.348 -1.781 0.070) 2.235 28.606 ( -0.739 3.250 -2.606) 4.231 28.738 ( -0.510 -2.097 1.250) 2.494 28.857 ( -1.683 8.605 -1.327) 8.868 29.055 ( -0.680 -0.478 0.486) 0.963 29.809 ( 0.269 0.994 1.118) 1.520 29.868 ( 0.356 -1.437 -0.333) 1.518 30.391 ( 2.966 23.190 -0.652) 23.388 31.518 ( 1.602 -26.436 0.972) 26.502 ======================= Grid point 260 (142/156) ======================= q-point: (-0.36 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -4.107 11.729 15.108) 19.563 2.678 ( -3.105 10.432 6.195) 12.524 2.989 ( -9.716 -11.164 5.035) 15.633 3.117 ( -19.353 -4.768 11.537) 23.030 3.602 ( -0.091 16.885 2.531) 17.074 3.853 ( 0.333 0.887 -6.623) 6.690 4.237 ( 10.030 8.454 -5.168) 14.099 4.616 ( -2.743 0.090 1.382) 3.073 4.954 ( -3.158 3.403 -5.543) 7.231 5.074 ( -2.983 -1.769 -3.782) 5.132 5.208 ( 1.017 1.152 -0.314) 1.569 5.282 ( 0.359 -4.689 6.067) 7.676 5.616 ( 5.687 0.004 -0.954) 5.767 5.626 ( 9.063 -4.187 -0.911) 10.025 5.721 ( 7.430 6.958 -2.960) 10.601 5.879 ( 8.476 2.281 0.801) 8.814 6.046 ( 8.770 -0.344 0.047) 8.777 6.083 ( -2.418 1.600 0.931) 3.045 6.441 ( 5.314 -1.827 5.429) 7.814 6.678 ( -3.697 -6.032 -7.475) 10.292 6.778 ( -1.147 5.441 3.437) 6.537 7.165 ( -10.210 -6.883 -7.566) 14.452 7.470 ( -3.599 3.304 -2.304) 5.402 7.547 ( -1.948 0.703 -3.117) 3.742 8.090 ( -1.896 9.950 3.489) 10.714 8.459 ( 7.347 -7.903 -3.330) 11.292 8.521 ( -5.317 -1.454 5.120) 7.523 8.778 ( 5.374 -9.710 -5.160) 12.239 9.081 ( 1.236 3.153 -5.393) 6.368 9.202 ( 0.964 -0.355 -3.229) 3.388 9.484 ( -1.782 4.496 5.046) 6.989 9.777 ( 4.467 -6.733 7.321) 10.904 10.640 ( -0.437 0.501 -1.656) 1.784 10.715 ( -0.557 -3.833 -1.917) 4.322 11.144 ( -0.544 5.765 -5.076) 7.700 11.333 ( -2.195 4.892 0.640) 5.400 11.885 ( 5.722 -8.318 2.083) 10.308 11.975 ( 0.264 -10.334 -2.597) 10.659 12.398 ( 2.049 1.115 8.127) 8.455 12.529 ( 2.355 -5.804 8.129) 10.262 13.288 ( -6.613 10.322 -3.638) 12.787 13.577 ( -4.193 -4.551 -7.328) 9.592 14.025 ( 3.397 2.920 14.086) 14.781 14.108 ( 1.830 -0.146 0.962) 2.072 14.567 ( 1.071 1.291 -1.719) 2.402 14.674 ( -1.879 -4.120 -1.559) 4.790 15.192 ( -4.255 7.819 2.103) 9.147 15.571 ( 6.499 -8.040 2.910) 10.740 16.548 ( 4.301 26.038 0.327) 26.393 17.379 ( 0.450 -13.861 -0.002) 13.869 18.307 ( 1.821 2.175 -3.170) 4.254 18.462 ( 2.139 -4.706 -4.075) 6.582 24.770 ( 1.100 2.670 1.773) 3.389 24.925 ( 3.452 -4.199 2.516) 5.990 26.812 ( -1.438 0.928 -0.991) 1.978 26.997 ( -1.380 -6.937 -0.369) 7.083 28.291 ( -0.834 3.491 -0.671) 3.652 28.416 ( -2.739 -0.386 0.275) 2.780 28.569 ( -2.041 4.103 -0.192) 4.586 28.752 ( -0.379 -0.868 1.044) 1.410 28.819 ( -1.020 6.472 3.132) 7.262 29.035 ( -1.462 -1.477 -0.056) 2.079 29.825 ( 0.776 1.167 0.527) 1.497 29.883 ( 1.363 -1.387 -0.008) 1.945 30.448 ( 4.612 21.405 -4.033) 22.265 31.511 ( -0.878 -25.776 -6.020) 26.484 ======================= Grid point 261 (143/156) ======================= q-point: (-0.27 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -1.942 9.769 23.441) 25.469 2.590 ( -17.774 -0.489 11.838) 21.361 2.828 ( -1.560 -6.957 7.986) 10.706 3.072 ( -0.335 -12.429 13.226) 18.153 3.612 ( -0.083 17.261 2.637) 17.461 3.761 ( -4.905 3.692 -9.813) 11.575 4.294 ( 1.023 4.802 -8.804) 10.080 4.460 ( -12.286 8.734 3.123) 15.394 4.911 ( -1.611 1.433 -1.620) 2.697 5.052 ( 2.328 -3.017 -2.664) 4.649 5.212 ( -1.782 -0.330 0.286) 1.835 5.340 ( 0.845 -5.501 7.065) 8.994 5.659 ( 4.653 6.123 -7.124) 10.483 5.718 ( 0.457 -0.839 4.480) 4.581 5.796 ( 4.058 -4.862 -1.718) 6.562 6.038 ( -0.287 8.662 -4.064) 9.572 6.125 ( 11.372 -2.846 1.043) 11.769 6.329 ( 19.383 7.084 2.130) 20.746 6.554 ( -6.028 -3.714 -1.627) 7.265 6.582 ( 7.015 -3.723 3.464) 8.664 6.731 ( -2.589 2.949 -3.973) 5.585 6.949 ( -6.384 -4.762 -8.429) 11.597 7.355 ( -5.686 5.245 -5.799) 9.668 7.462 ( -4.687 0.174 -4.359) 6.403 8.076 ( -3.278 6.187 2.586) 7.464 8.384 ( -5.784 1.313 -1.008) 6.016 8.605 ( 4.692 -11.017 -5.908) 13.353 8.829 ( 3.737 -7.306 -1.336) 8.315 9.052 ( -3.351 3.925 -5.906) 7.843 9.184 ( 6.096 -3.359 -7.884) 10.517 9.634 ( 10.590 4.115 11.181) 15.941 9.900 ( 4.201 -6.747 7.753) 11.103 10.603 ( -2.468 1.492 -4.134) 5.041 10.673 ( -1.060 -2.056 -2.349) 3.297 11.085 ( -1.307 5.202 -6.924) 8.758 11.325 ( 0.548 1.999 -0.306) 2.095 11.902 ( -1.418 -8.009 -0.537) 8.151 12.080 ( 7.498 -8.205 5.997) 12.630 12.514 ( 3.421 1.338 11.458) 12.032 12.648 ( 3.434 -4.265 11.027) 12.312 13.110 ( -9.083 7.862 -5.552) 13.234 13.453 ( -3.313 -7.631 -8.829) 12.131 14.180 ( 4.320 1.275 10.226) 11.174 14.217 ( 5.484 -1.598 12.932) 14.138 14.587 ( 1.659 -0.311 0.001) 1.688 14.618 ( -2.464 -2.694 -2.578) 4.470 15.182 ( -0.048 13.095 7.874) 15.281 15.672 ( 1.461 -7.549 4.382) 8.850 16.677 ( 9.997 23.312 0.560) 25.371 17.378 ( -0.075 -12.121 -1.354) 12.196 18.299 ( 0.849 2.957 -7.583) 8.183 18.444 ( 0.340 -3.272 -9.024) 9.605 24.825 ( 3.184 3.173 3.675) 5.807 25.023 ( 4.707 -5.595 4.824) 8.760 26.769 ( -2.457 1.305 -1.450) 3.137 26.948 ( -3.576 -7.000 -1.299) 7.968 28.250 ( -3.810 3.058 0.579) 4.920 28.364 ( -2.994 -0.566 -0.667) 3.119 28.541 ( -1.518 7.905 2.390) 8.397 28.709 ( -2.571 6.258 -1.013) 6.841 28.905 ( 4.663 -2.167 9.260) 10.592 29.015 ( -0.191 -2.318 -0.024) 2.326 29.838 ( 0.500 1.615 -0.461) 1.752 29.916 ( 2.489 -1.727 -0.608) 3.090 30.493 ( 3.877 17.484 -6.943) 19.208 31.396 ( -5.873 -23.154 -12.542) 26.979 ======================= Grid point 262 (144/156) ======================= q-point: (-0.18 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -15.693 3.538 14.289) 21.517 2.569 ( -2.230 8.778 27.504) 28.957 2.921 ( 5.325 -11.165 1.406) 12.449 3.191 ( 3.306 -9.992 13.524) 17.136 3.545 ( -10.693 12.037 -6.590) 17.396 3.654 ( 1.700 8.985 0.847) 9.183 4.196 ( -4.065 1.055 -9.192) 10.106 4.312 ( -7.796 8.265 9.147) 14.586 4.849 ( -3.261 -2.452 -3.974) 5.696 5.053 ( -1.574 -4.387 -7.125) 8.513 5.180 ( -0.017 0.435 4.182) 4.205 5.353 ( -4.488 -5.596 5.302) 8.920 5.683 ( 1.091 11.356 -2.148) 11.609 5.793 ( 6.595 -2.138 -1.245) 7.044 5.837 ( 0.370 -1.013 -0.188) 1.095 5.996 ( -1.040 6.677 -4.160) 7.936 6.251 ( 1.444 -2.276 3.784) 4.646 6.467 ( -0.176 5.625 -1.852) 5.925 6.598 ( 0.885 -2.453 -10.322) 10.646 6.671 ( 8.846 -1.280 -1.264) 9.027 6.788 ( 8.550 -8.598 1.875) 12.270 6.895 ( 5.698 -1.605 0.834) 5.979 7.223 ( -3.996 6.709 -5.462) 9.529 7.335 ( -5.730 -0.503 -3.715) 6.848 7.975 ( -8.480 0.548 1.291) 8.595 8.262 ( -6.556 -1.198 -14.155) 15.645 8.542 ( -4.354 1.395 0.236) 4.578 8.898 ( 1.477 -1.565 -0.598) 2.233 9.008 ( 2.047 -0.626 1.900) 2.862 9.269 ( 8.852 -6.431 -12.744) 16.797 9.923 ( 12.110 2.876 8.669) 15.168 10.035 ( 6.405 -2.719 4.573) 8.327 10.526 ( -0.955 3.944 -3.354) 5.264 10.671 ( 1.402 -2.244 -0.944) 2.809 11.017 ( -1.448 2.788 -7.008) 7.680 11.321 ( 0.378 -6.099 -4.555) 7.621 11.901 ( -0.119 0.421 5.727) 5.744 12.230 ( 1.644 -9.226 10.336) 13.952 12.645 ( 2.704 2.712 11.623) 12.237 12.767 ( 2.136 -1.928 9.799) 10.213 12.935 ( -3.841 8.900 -8.054) 12.603 13.363 ( -0.263 -8.669 -8.885) 12.416 14.319 ( 2.740 -1.375 9.077) 9.581 14.410 ( 6.348 -5.242 13.515) 15.825 14.537 ( -2.713 0.438 -3.929) 4.795 14.663 ( 5.328 -5.523 2.539) 8.083 15.287 ( 3.853 12.997 13.320) 19.005 15.675 ( -3.540 -4.254 4.195) 6.944 16.898 ( 12.705 17.606 0.191) 21.713 17.377 ( 1.625 -8.793 -0.456) 8.954 18.237 ( -1.512 3.795 -10.370) 11.146 18.364 ( -2.076 -1.387 -10.796) 11.081 24.929 ( 5.189 2.406 4.747) 7.433 25.146 ( 4.530 -7.216 6.861) 10.939 26.710 ( -2.783 1.029 -1.469) 3.311 26.853 ( -5.444 -6.335 -2.247) 8.649 28.172 ( -4.776 2.675 0.872) 5.543 28.295 ( -4.065 -2.022 -0.693) 4.593 28.545 ( 0.040 11.261 2.297) 11.493 28.676 ( -0.958 6.999 0.856) 7.116 29.038 ( 4.483 -1.639 0.688) 4.823 29.085 ( 5.740 -2.991 12.827) 14.368 29.835 ( 0.218 1.967 -2.409) 3.117 29.958 ( 3.069 -3.053 -2.982) 5.257 30.491 ( 1.052 12.266 -8.437) 14.925 31.134 ( -13.128 -17.352 -15.902) 26.950 ======================= Grid point 263 (145/156) ======================= q-point: (-0.09 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -5.566 14.362 16.094) 22.277 2.679 ( -3.365 11.807 21.546) 24.799 2.994 ( 3.183 -9.513 -3.598) 10.657 3.220 ( -5.583 3.915 -10.618) 12.620 3.431 ( 1.091 -0.640 15.734) 15.785 3.710 ( 2.345 -1.085 4.720) 5.381 4.081 ( -2.929 -0.570 -6.116) 6.805 4.261 ( -6.007 6.468 11.028) 14.126 4.752 ( -3.577 -7.274 -7.342) 10.936 4.940 ( -2.664 -5.643 -8.757) 10.753 5.257 ( 1.110 -0.141 4.481) 4.618 5.293 ( -1.299 -1.808 6.331) 6.711 5.663 ( -2.412 13.074 -6.415) 14.762 5.757 ( -3.135 1.128 0.221) 3.339 5.934 ( 2.088 -0.782 -2.235) 3.157 5.992 ( 6.248 8.907 -0.212) 10.882 6.287 ( 1.731 1.692 -0.561) 2.485 6.419 ( -6.425 6.495 2.066) 9.367 6.511 ( 0.066 -8.526 -9.313) 12.626 6.812 ( 6.663 -0.868 -3.716) 7.678 6.928 ( 4.777 -10.965 3.198) 12.380 6.998 ( 1.102 -4.703 0.395) 4.846 7.193 ( 3.105 2.828 -0.551) 4.236 7.278 ( 2.689 -2.284 -0.978) 3.662 7.828 ( -7.252 -2.080 -0.424) 7.556 7.944 ( -14.282 -4.590 -16.384) 22.215 8.547 ( 0.881 12.218 6.020) 13.649 8.876 ( -0.520 5.892 -6.219) 8.582 9.066 ( -0.487 -6.438 6.719) 9.318 9.332 ( 6.385 -8.525 -11.726) 15.841 10.114 ( 1.274 7.628 6.611) 10.174 10.157 ( 7.435 3.111 -0.424) 8.070 10.581 ( 6.681 0.687 -0.165) 6.719 10.700 ( 2.236 -3.440 -1.010) 4.226 10.940 ( -2.511 0.869 -6.397) 6.926 11.294 ( 1.001 -15.144 -6.633) 16.563 11.953 ( 0.513 6.294 7.826) 10.056 12.240 ( -5.902 -6.004 9.269) 12.522 12.745 ( 1.238 3.356 8.958) 9.646 12.839 ( -0.010 0.935 7.060) 7.121 12.914 ( 6.009 9.075 -7.480) 13.207 13.326 ( 0.344 -4.579 -5.025) 6.807 14.372 ( -1.300 -2.654 5.003) 5.810 14.426 ( -4.053 -1.334 -0.781) 4.338 14.646 ( 7.799 -5.584 8.563) 12.858 14.806 ( 8.269 -11.602 0.976) 14.280 15.441 ( 2.819 7.375 10.729) 13.320 15.635 ( -2.513 -2.225 5.911) 6.797 17.072 ( 6.667 14.173 -2.747) 15.902 17.466 ( 6.833 -5.437 3.081) 9.260 18.117 ( -4.368 4.607 -10.092) 11.923 18.253 ( -2.875 -0.719 -8.701) 9.192 25.057 ( 5.298 0.230 4.006) 6.646 25.262 ( 3.336 -9.292 7.076) 12.146 26.659 ( -1.866 0.110 -0.938) 2.091 26.738 ( -5.083 -4.384 -2.529) 7.173 28.107 ( -2.456 1.747 0.169) 3.018 28.221 ( -3.201 -2.702 -0.399) 4.208 28.562 ( 0.452 11.684 1.357) 11.771 28.675 ( -0.069 6.918 1.277) 7.035 29.166 ( 8.278 1.886 3.584) 9.215 29.284 ( 5.694 -2.936 15.471) 16.745 29.812 ( -0.444 1.765 -5.717) 6.000 29.967 ( 0.909 -4.443 -8.289) 9.448 30.430 ( -2.012 7.002 -7.343) 10.344 30.765 ( -15.749 -8.434 -11.549) 21.273 ======================= Grid point 264 (146/156) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 8.204 -18.746 7.992) 21.968 2.796 ( 8.204 18.746 7.992) 21.968 2.975 ( -5.702 -13.825 0.176) 14.955 2.975 ( -5.702 13.825 0.176) 14.955 3.502 ( -0.880 -10.861 2.023) 11.083 3.502 ( -0.880 10.861 2.023) 11.083 4.269 ( 1.113 -10.831 6.767) 12.819 4.269 ( 1.113 10.831 6.767) 12.819 4.640 ( -2.931 -11.253 -9.759) 15.181 4.640 ( -2.931 11.253 -9.759) 15.181 5.327 ( 2.668 -5.242 3.058) 6.630 5.327 ( 2.668 5.242 3.058) 6.630 5.729 ( -3.598 -2.810 3.853) 5.974 5.729 ( -3.598 2.810 3.853) 5.974 6.089 ( -0.415 -12.936 -3.198) 13.332 6.089 ( -0.415 12.936 -3.198) 13.332 6.356 ( 3.767 -5.849 1.223) 7.064 6.356 ( 3.767 5.849 1.223) 7.064 6.550 ( -3.689 -13.800 -3.058) 14.608 6.550 ( -3.689 13.800 -3.058) 14.608 6.971 ( 2.737 -5.411 -1.214) 6.184 6.971 ( 2.737 5.411 -1.214) 6.184 7.257 ( 0.730 -1.796 -0.556) 2.017 7.257 ( 0.730 1.796 -0.556) 2.017 7.659 ( -3.459 -3.520 -3.974) 6.336 7.659 ( -3.459 3.520 -3.974) 6.336 8.826 ( -1.163 -6.894 5.991) 9.207 8.826 ( -1.163 6.894 5.991) 9.207 9.134 ( 1.575 -9.300 -7.796) 12.237 9.134 ( 1.575 9.300 -7.796) 12.237 10.272 ( -0.934 -4.808 3.467) 6.001 10.272 ( -0.934 4.808 3.467) 6.001 10.673 ( 1.746 -0.447 -1.499) 2.344 10.673 ( 1.746 0.447 -1.499) 2.344 10.946 ( -1.875 -9.384 -5.190) 10.886 10.946 ( -1.875 9.384 -5.190) 10.886 12.142 ( 2.319 -4.502 4.011) 6.460 12.142 ( 2.319 4.502 4.011) 6.460 12.860 ( 0.705 -1.921 3.858) 4.367 12.860 ( 0.705 1.921 3.858) 4.367 13.189 ( -0.723 -8.937 -2.085) 9.206 13.189 ( -0.723 8.937 -2.085) 9.206 14.348 ( -1.853 -1.951 3.938) 4.770 14.348 ( -1.853 1.951 3.938) 4.770 14.728 ( 3.536 -4.293 -1.754) 5.832 14.728 ( 3.536 4.293 -1.754) 5.832 15.601 ( 1.481 -4.684 3.734) 6.171 15.601 ( 1.481 4.684 3.734) 6.171 17.407 ( 1.891 -11.320 0.359) 11.482 17.407 ( 1.891 11.320 0.359) 11.482 18.093 ( -3.584 -4.816 -4.409) 7.448 18.093 ( -3.584 4.816 -4.409) 7.448 25.172 ( 0.770 -4.925 2.643) 5.642 25.172 ( 0.770 4.925 2.643) 5.642 26.633 ( -0.530 -0.547 -0.779) 1.090 26.633 ( -0.530 0.547 -0.779) 1.090 28.132 ( 0.694 -2.618 -0.720) 2.802 28.132 ( 0.694 2.618 -0.720) 2.802 28.724 ( -0.528 -3.432 1.411) 3.748 28.724 ( -0.528 3.432 1.411) 3.748 29.421 ( 6.226 -2.956 10.011) 12.154 29.421 ( 6.226 2.956 10.011) 12.154 29.774 ( -4.633 -3.637 -10.552) 12.085 29.774 ( -4.633 3.637 -10.552) 12.085 30.451 ( -2.435 -4.894 -2.635) 6.068 30.451 ( -2.435 4.894 -2.635) 6.068 ======================= Grid point 266 (147/156) ======================= q-point: ( 0.09 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -5.065 -13.397 -6.825) 15.866 2.790 ( -5.065 13.397 -6.826) 15.866 3.050 ( 8.200 -11.297 6.713) 15.489 3.050 ( 8.200 11.297 6.713) 15.489 3.559 ( 4.742 -7.394 1.837) 8.974 3.559 ( 4.742 7.394 1.837) 8.974 4.305 ( -0.306 -13.302 -1.419) 13.381 4.305 ( -0.306 13.302 -1.419) 13.381 4.608 ( 3.686 -10.489 2.195) 11.333 4.608 ( 3.686 10.489 2.195) 11.333 5.384 ( 3.103 -4.983 -2.962) 6.575 5.384 ( 3.103 4.983 -2.962) 6.575 5.715 ( -2.485 -4.113 9.016) 10.217 5.715 ( -2.485 4.113 9.016) 10.217 6.040 ( -2.611 -10.497 -2.707) 11.150 6.040 ( -2.611 10.497 -2.707) 11.150 6.317 ( -4.932 -5.533 -2.578) 7.848 6.317 ( -4.932 5.533 -2.578) 7.848 6.573 ( 3.136 -10.946 1.934) 11.549 6.573 ( 3.136 10.946 1.934) 11.549 6.946 ( -2.636 -2.766 -4.876) 6.194 6.946 ( -2.636 2.766 -4.876) 6.194 7.237 ( -1.584 -0.479 -0.110) 1.658 7.237 ( -1.584 0.479 -0.110) 1.658 7.718 ( 8.111 -4.109 3.795) 9.853 7.718 ( 8.111 4.109 3.795) 9.853 8.826 ( -2.300 -2.904 4.548) 5.865 8.826 ( -2.300 2.904 4.548) 5.865 9.096 ( -0.878 -6.994 -6.219) 9.400 9.096 ( -0.878 6.994 -6.219) 9.400 10.220 ( -6.188 -6.247 1.702) 8.956 10.220 ( -6.188 6.247 1.702) 8.956 10.647 ( -2.607 -1.902 -2.531) 4.101 10.647 ( -2.607 1.902 -2.531) 4.101 10.924 ( 1.031 -8.492 1.270) 8.649 10.924 ( 1.031 8.492 1.270) 8.649 12.231 ( 5.629 -5.730 -2.388) 8.380 12.231 ( 5.629 5.730 -2.388) 8.380 12.881 ( -0.207 -2.219 1.734) 2.824 12.881 ( -0.207 2.219 1.734) 2.824 13.087 ( -8.349 -5.517 -0.476) 10.018 13.087 ( -8.349 5.517 -0.476) 10.018 14.382 ( 2.351 -2.871 4.453) 5.796 14.382 ( 2.351 2.871 4.453) 5.796 14.717 ( -1.694 -3.208 -6.876) 7.774 14.717 ( -1.694 3.208 -6.876) 7.774 15.671 ( 4.864 -5.413 -1.164) 7.370 15.671 ( 4.864 5.413 -1.164) 7.370 17.353 ( -6.659 -11.378 -2.886) 13.496 17.353 ( -6.659 11.378 -2.886) 13.496 18.052 ( -1.006 -4.456 4.524) 6.429 18.052 ( -1.006 4.456 4.524) 6.429 25.164 ( -2.453 -6.023 -0.175) 6.506 25.164 ( -2.453 6.023 -0.175) 6.506 26.651 ( 2.478 -0.606 0.411) 2.583 26.651 ( 2.478 0.606 0.411) 2.583 28.174 ( 4.455 -2.492 -1.465) 5.311 28.174 ( 4.455 2.492 -1.465) 5.311 28.722 ( -0.551 -5.347 1.377) 5.549 28.722 ( -0.551 5.347 1.377) 5.549 29.443 ( -6.964 -9.103 -8.373) 14.194 29.443 ( -6.964 9.103 -8.373) 14.194 29.703 ( 1.996 -3.052 5.806) 6.856 29.703 ( 1.996 3.052 5.806) 6.856 30.470 ( 3.623 -6.368 2.740) 7.822 30.470 ( 3.623 6.368 2.740) 7.822 ======================= Grid point 268 (148/156) ======================= q-point: ( 0.18 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 1.566 -11.083 -6.694) 13.042 2.705 ( 1.566 11.083 -6.694) 13.042 3.189 ( 4.615 -7.998 -2.446) 9.553 3.189 ( 4.615 7.998 -2.446) 9.553 3.663 ( 5.372 -5.901 0.044) 7.980 3.663 ( 5.372 5.901 0.044) 7.980 4.282 ( 1.414 -17.593 -2.958) 17.896 4.282 ( 1.414 17.593 -2.958) 17.896 4.764 ( 7.555 -9.252 8.278) 14.533 4.764 ( 7.555 9.252 8.278) 14.533 5.392 ( 1.009 -4.216 -6.340) 7.680 5.392 ( 1.009 4.216 -6.340) 7.680 5.711 ( -6.779 -6.930 10.564) 14.338 5.711 ( -6.779 6.930 10.564) 14.338 5.992 ( 1.107 -7.029 -3.442) 7.904 5.992 ( 1.107 7.029 -3.442) 7.904 6.239 ( -3.586 -2.987 2.032) 5.091 6.239 ( -3.586 2.987 2.032) 5.091 6.570 ( -4.376 -7.176 0.455) 8.418 6.570 ( -4.376 7.176 0.455) 8.418 6.870 ( -1.783 -6.538 -5.394) 8.661 6.870 ( -1.783 6.538 -5.394) 8.661 7.232 ( 0.703 -0.739 3.031) 3.198 7.232 ( 0.703 0.739 3.031) 3.198 7.922 ( 9.285 -1.657 7.537) 12.074 7.922 ( 9.285 1.657 7.537) 12.074 8.800 ( -2.650 -5.665 0.933) 6.323 8.800 ( -2.650 5.665 0.933) 6.323 9.035 ( -2.201 -2.510 -2.877) 4.407 9.035 ( -2.201 2.510 -2.877) 4.407 10.088 ( -7.247 -3.924 -2.877) 8.729 10.088 ( -7.247 3.924 -2.877) 8.729 10.592 ( -1.734 -2.592 -0.436) 3.149 10.592 ( -1.734 2.592 -0.436) 3.149 10.985 ( 2.957 -8.163 5.242) 10.142 10.985 ( 2.957 8.163 5.242) 10.142 12.239 ( -2.552 -8.846 -8.327) 12.414 12.239 ( -2.552 8.846 -8.327) 12.414 12.861 ( -4.331 -4.463 -0.071) 6.219 12.861 ( -4.331 4.463 -0.071) 6.219 12.991 ( 0.887 -8.023 3.098) 8.646 12.991 ( 0.887 8.023 3.098) 8.646 14.458 ( 2.648 -1.455 2.447) 3.888 14.458 ( 2.648 1.455 2.447) 3.888 14.605 ( -3.951 -2.021 -9.280) 10.286 14.605 ( -3.951 2.021 -9.280) 10.286 15.728 ( 3.556 -6.032 -7.825) 10.501 15.728 ( 3.556 6.032 -7.825) 10.501 17.181 ( -9.340 -10.954 -0.983) 14.429 17.181 ( -9.340 10.954 -0.983) 14.429 18.091 ( -0.383 -3.267 10.027) 10.553 18.091 ( -0.383 3.267 10.027) 10.553 25.089 ( -4.697 -6.197 -2.135) 8.063 25.089 ( -4.697 6.197 -2.135) 8.063 26.718 ( 4.059 -2.346 1.067) 4.808 26.718 ( 4.059 2.346 1.067) 4.808 28.260 ( 5.755 -2.182 -2.081) 6.497 28.260 ( 5.755 2.182 -2.081) 6.497 28.727 ( 0.347 -6.451 1.280) 6.586 28.727 ( 0.347 6.451 1.280) 6.586 29.219 ( -8.494 -9.849 -11.095) 17.096 29.219 ( -8.494 9.849 -11.095) 17.096 29.795 ( 2.038 -3.481 6.526) 7.672 29.795 ( 2.038 3.481 6.526) 7.672 30.583 ( 4.709 -11.441 7.191) 14.311 30.583 ( 4.709 11.441 7.191) 14.311 ======================= Grid point 270 (149/156) ======================= q-point: ( 0.27 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 10.336 -11.875 -5.356) 16.630 2.779 ( 10.336 11.875 -5.356) 16.630 3.178 ( 0.528 -5.978 -13.416) 14.697 3.178 ( 0.528 5.978 -13.416) 14.697 3.743 ( 3.950 -6.643 -0.723) 7.762 3.743 ( 3.950 6.643 -0.723) 7.762 4.342 ( 3.715 -15.340 3.707) 16.213 4.342 ( 3.715 15.340 3.707) 16.213 4.918 ( 3.667 -7.449 4.994) 9.689 4.918 ( 3.667 7.449 4.994) 9.689 5.352 ( -0.834 -8.483 -5.702) 10.256 5.352 ( -0.834 8.483 -5.702) 10.256 5.599 ( -9.954 -6.809 8.173) 14.568 5.599 ( -9.954 6.809 8.173) 14.568 6.009 ( -0.275 -10.998 -6.284) 12.669 6.009 ( -0.275 10.998 -6.284) 12.669 6.187 ( -4.139 -14.454 6.416) 16.347 6.187 ( -4.139 14.454 6.416) 16.347 6.477 ( -6.226 -3.270 3.663) 7.929 6.477 ( -6.226 3.270 3.663) 7.929 6.826 ( 2.512 -5.217 -6.079) 8.395 6.826 ( 2.512 5.217 -6.079) 8.395 7.296 ( 2.108 -2.152 7.319) 7.914 7.296 ( 2.108 2.152 7.319) 7.914 8.125 ( 7.991 -3.835 6.858) 11.207 8.125 ( 7.991 3.835 6.858) 11.207 8.732 ( -4.157 -7.985 -3.370) 9.612 8.732 ( -4.157 7.985 -3.370) 9.612 9.007 ( -0.286 -2.341 2.150) 3.192 9.007 ( -0.286 2.341 2.150) 3.192 9.945 ( -4.786 -4.237 -7.690) 10.000 9.945 ( -4.786 4.237 -7.690) 10.000 10.584 ( 0.028 -1.634 2.104) 2.664 10.584 ( 0.028 1.634 2.104) 2.664 11.081 ( 3.287 -9.090 6.746) 11.787 11.081 ( 3.287 9.090 6.746) 11.787 12.068 ( -8.612 -6.600 -7.812) 13.370 12.068 ( -8.612 6.600 -7.812) 13.370 12.746 ( -5.738 -4.044 -4.820) 8.516 12.746 ( -5.738 4.044 -4.820) 8.516 13.130 ( 8.850 -8.275 6.084) 13.557 13.130 ( 8.850 8.275 6.084) 13.557 14.420 ( -4.013 -3.720 -10.594) 11.924 14.420 ( -4.013 3.720 -10.594) 11.924 14.555 ( 1.549 -2.391 0.743) 2.944 14.555 ( 1.549 2.391 0.743) 2.944 15.682 ( -1.382 -9.184 -12.827) 15.836 15.682 ( -1.382 9.184 -12.827) 15.836 17.043 ( -6.276 -14.611 3.106) 16.203 17.043 ( -6.276 14.611 3.106) 16.203 18.151 ( -0.651 -2.934 11.800) 12.176 18.151 ( -0.651 2.934 11.800) 12.176 24.983 ( -4.920 -5.258 -2.803) 7.727 24.983 ( -4.920 5.258 -2.803) 7.727 26.796 ( 3.463 -3.829 1.179) 5.296 26.796 ( 3.463 3.829 1.179) 5.296 28.340 ( 4.385 -2.203 -2.443) 5.482 28.340 ( 4.385 2.203 -2.443) 5.482 28.746 ( 0.694 -6.378 0.310) 6.424 28.746 ( 0.694 6.378 0.310) 6.424 29.039 ( -4.043 -6.651 -8.094) 11.229 29.039 ( -4.043 6.651 -8.094) 11.229 29.845 ( 0.257 -2.645 3.059) 4.052 29.845 ( 0.257 2.645 3.059) 4.052 30.709 ( 3.187 -18.279 9.400) 20.800 30.709 ( 3.187 18.279 9.400) 20.800 ======================= Grid point 272 (150/156) ======================= q-point: ( 0.36 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 0.704 -12.018 -10.155) 15.749 2.890 ( 0.704 12.018 -10.155) 15.749 3.181 ( 14.957 -7.719 -10.323) 19.745 3.181 ( 14.957 7.719 -10.323) 19.745 3.807 ( 3.844 -5.729 -1.524) 7.065 3.807 ( 3.844 5.729 -1.524) 7.065 4.359 ( -8.987 -15.943 7.414) 19.746 4.359 ( -8.987 15.943 7.414) 19.746 4.974 ( 3.262 -6.488 1.104) 7.345 4.974 ( 3.262 6.488 1.104) 7.345 5.293 ( -2.738 -7.749 -3.614) 8.978 5.293 ( -2.738 7.749 -3.614) 8.978 5.534 ( -1.538 -3.967 7.589) 8.700 5.534 ( -1.538 3.967 7.589) 8.700 5.831 ( -12.422 -2.765 -4.944) 13.652 5.831 ( -12.422 2.765 -4.944) 13.652 6.166 ( -3.060 -0.354 -2.472) 3.949 6.166 ( -3.060 0.354 -2.472) 3.949 6.424 ( -1.793 -3.163 6.940) 7.835 6.424 ( -1.793 3.163 6.940) 7.835 6.908 ( 7.675 -4.370 -1.129) 8.904 6.908 ( 7.675 4.370 -1.129) 8.904 7.383 ( 1.807 -1.960 9.215) 9.593 7.383 ( 1.807 1.960 9.215) 9.593 8.287 ( 6.373 -5.198 1.266) 8.321 8.287 ( 6.373 5.198 1.266) 8.321 8.626 ( -4.823 -4.754 -1.882) 7.029 8.626 ( -4.823 4.754 -1.882) 7.029 9.044 ( 1.728 -3.409 4.447) 5.863 9.044 ( 1.728 3.409 4.447) 5.863 9.815 ( -3.538 -5.488 -10.187) 12.100 9.815 ( -3.538 5.488 -10.187) 12.100 10.609 ( 0.704 -1.845 3.115) 3.688 10.609 ( 0.704 1.845 3.115) 3.688 11.181 ( 2.984 -9.847 6.431) 12.133 11.181 ( 2.984 9.847 6.431) 12.133 11.890 ( -6.145 -2.559 -4.214) 7.878 11.890 ( -6.145 2.559 -4.214) 7.878 12.603 ( -5.846 -3.658 -6.630) 9.567 12.603 ( -5.846 3.658 -6.630) 9.567 13.337 ( 9.300 -8.289 5.724) 13.710 13.337 ( 9.300 8.289 5.724) 13.710 14.272 ( -4.541 -3.679 -10.816) 12.294 14.272 ( -4.541 3.679 -10.816) 12.294 14.588 ( 1.564 -1.218 0.046) 1.983 14.588 ( 1.564 1.218 0.046) 1.983 15.543 ( -4.372 -9.119 -12.026) 15.713 15.543 ( -4.372 9.119 -12.026) 15.713 16.988 ( -2.815 -18.958 4.105) 19.601 16.988 ( -2.815 18.958 4.105) 19.601 18.213 ( -0.247 -3.089 10.639) 11.081 18.213 ( -0.247 3.089 10.639) 11.081 24.888 ( -3.658 -3.976 -2.446) 5.930 24.888 ( -3.658 3.976 -2.446) 5.930 26.851 ( 1.937 -4.450 0.904) 4.936 26.851 ( 1.937 4.450 0.904) 4.936 28.383 ( 2.104 -3.323 -2.430) 4.623 28.383 ( 2.104 3.323 -2.430) 4.623 28.737 ( -0.788 -5.666 -2.385) 6.198 28.737 ( -0.788 5.666 -2.385) 6.198 28.985 ( 1.176 -4.170 -2.863) 5.193 28.985 ( 1.176 4.170 -2.863) 5.193 29.850 ( -0.809 -2.047 0.953) 2.398 29.850 ( -0.809 2.047 0.953) 2.398 30.811 ( 1.878 -24.028 8.389) 25.519 30.811 ( 1.878 24.028 8.389) 25.519 ======================= Grid point 274 (151/156) ======================= q-point: ( 0.45 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -4.891 -10.519 -10.224) 15.462 2.754 ( -4.891 10.519 -10.224) 15.462 3.497 ( 18.605 -7.690 -1.307) 20.174 3.497 ( 18.605 7.690 -1.307) 20.174 3.806 ( -7.914 -8.127 -1.073) 11.395 3.806 ( -7.914 8.127 -1.073) 11.395 4.158 ( -8.948 -20.934 4.478) 23.202 4.158 ( -8.948 20.934 4.478) 23.202 5.094 ( 7.278 -5.083 1.259) 8.966 5.094 ( 7.278 5.083 1.259) 8.966 5.234 ( -0.506 -5.540 -1.832) 5.857 5.234 ( -0.506 5.540 -1.832) 5.857 5.515 ( -8.078 -5.516 -6.266) 11.617 5.515 ( -8.078 5.516 -6.266) 11.617 5.678 ( 1.549 -7.897 8.420) 11.647 5.678 ( 1.549 7.897 8.420) 11.647 6.046 ( -5.018 -8.193 -7.457) 12.162 6.046 ( -5.018 8.193 -7.457) 12.162 6.470 ( 0.782 -6.848 5.369) 8.737 6.470 ( 0.782 6.848 5.369) 8.737 7.025 ( 4.016 -11.544 1.275) 12.289 7.025 ( 4.016 11.544 1.275) 12.289 7.485 ( 3.095 -1.715 8.584) 9.284 7.485 ( 3.095 1.715 8.584) 9.284 8.324 ( -0.394 -2.206 -6.366) 6.749 8.324 ( -0.394 2.206 -6.366) 6.749 8.579 ( -0.865 -1.602 3.550) 3.990 8.579 ( -0.865 1.602 3.550) 3.990 9.111 ( 2.444 -5.176 3.974) 6.968 9.111 ( 2.444 5.176 3.974) 6.968 9.691 ( -3.579 -4.230 -8.265) 9.950 9.691 ( -3.579 4.230 -8.265) 9.950 10.641 ( 0.761 -1.680 2.346) 2.985 10.641 ( 0.761 1.680 2.346) 2.985 11.264 ( 2.303 -9.652 4.271) 10.803 11.264 ( 2.303 9.652 4.271) 10.803 11.800 ( -2.104 -2.329 -1.135) 3.338 11.800 ( -2.104 2.329 -1.135) 3.338 12.469 ( -4.503 -3.225 -4.892) 7.390 12.469 ( -4.503 3.225 -4.892) 7.390 13.515 ( 6.408 -8.483 3.919) 11.331 13.515 ( 6.408 8.483 3.919) 11.331 14.126 ( -4.762 -4.900 -7.842) 10.401 14.126 ( -4.762 4.900 -7.842) 10.401 14.611 ( 1.282 -2.626 -1.012) 3.093 14.611 ( 1.282 2.626 -1.012) 3.093 15.407 ( -3.270 -4.130 -7.328) 9.025 15.407 ( -3.270 4.130 -7.328) 9.025 16.980 ( -0.689 -20.824 2.886) 21.034 16.980 ( -0.689 20.824 2.886) 21.034 18.275 ( 0.901 -3.365 7.012) 7.829 18.275 ( 0.900 3.365 7.012) 7.829 24.826 ( -1.749 -2.933 -1.378) 3.683 24.826 ( -1.749 2.933 -1.378) 3.683 26.879 ( 0.743 -4.533 0.409) 4.612 26.879 ( 0.743 4.533 0.409) 4.612 28.391 ( 0.616 -4.189 -2.068) 4.712 28.391 ( 0.616 4.189 -2.068) 4.712 28.706 ( -0.820 -3.798 -2.362) 4.547 28.706 ( -0.820 3.798 -2.362) 4.547 29.004 ( 1.104 -4.425 -0.323) 4.571 29.004 ( 1.104 4.425 -0.323) 4.571 29.838 ( -0.710 -1.766 0.323) 1.931 29.838 ( -0.710 1.766 0.323) 1.931 30.884 ( 1.746 -27.474 4.956) 27.972 30.884 ( 1.746 27.474 4.956) 27.972 ======================= Grid point 276 (152/156) ======================= q-point: (-0.45 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -3.141 -12.103 -0.533) 12.515 2.642 ( -3.141 12.103 -0.533) 12.515 3.409 ( -27.685 -9.550 6.335) 29.963 3.409 ( -27.685 9.550 6.335) 29.963 3.774 ( 6.328 -6.980 2.272) 9.691 3.774 ( 6.328 6.980 2.272) 9.691 4.253 ( 14.419 -15.302 -3.698) 21.348 4.253 ( 14.419 15.302 -3.698) 21.348 5.169 ( -0.329 -5.856 -2.454) 6.358 5.169 ( -0.328 5.856 -2.454) 6.358 5.205 ( -3.640 -1.536 -3.039) 4.984 5.205 ( -3.640 1.536 -3.039) 4.984 5.430 ( 5.472 -4.437 2.177) 7.373 5.430 ( 5.472 4.437 2.177) 7.373 5.809 ( 5.376 -4.017 0.449) 6.726 5.809 ( 5.376 4.017 0.449) 6.726 5.959 ( 2.571 -10.220 -3.671) 11.160 5.959 ( 2.571 10.220 -3.671) 11.160 6.487 ( -1.951 -10.475 3.306) 11.156 6.487 ( -1.951 10.475 3.306) 11.156 7.058 ( -0.412 -14.069 -1.221) 14.128 7.058 ( -0.412 14.069 -1.221) 14.128 7.561 ( 0.166 -1.113 3.052) 3.253 7.561 ( 0.166 1.113 3.052) 3.253 8.275 ( -0.025 -5.245 -3.238) 6.164 8.275 ( -0.025 5.245 -3.238) 6.164 8.587 ( -1.119 -3.290 2.906) 4.530 8.587 ( -1.119 3.290 2.906) 4.530 9.165 ( 1.585 -3.669 -0.295) 4.008 9.165 ( 1.585 3.669 -0.295) 4.008 9.603 ( -2.159 -2.177 -0.931) 3.204 9.603 ( -2.159 2.177 -0.931) 3.204 10.661 ( 0.417 -1.242 0.485) 1.398 10.661 ( 0.417 1.242 0.485) 1.398 11.309 ( 0.990 -8.171 0.232) 8.234 11.309 ( 0.990 8.171 0.232) 8.234 11.788 ( 0.692 -4.258 0.233) 4.320 11.788 ( 0.692 4.258 0.233) 4.320 12.400 ( -1.290 -2.748 0.983) 3.191 12.400 ( -1.290 2.748 0.983) 3.191 13.580 ( -0.954 -6.894 -2.157) 7.286 13.580 ( -0.954 6.894 -2.157) 7.286 14.036 ( -1.429 -5.582 0.600) 5.794 14.036 ( -1.429 5.582 0.600) 5.794 14.619 ( 0.447 -3.174 -1.882) 3.717 14.619 ( 0.447 3.174 -1.882) 3.717 15.349 ( 0.025 -3.273 -1.705) 3.691 15.349 ( 0.025 3.273 -1.705) 3.691 16.995 ( 0.923 -21.150 1.310) 21.210 16.995 ( 0.923 21.150 1.310) 21.210 18.331 ( 2.144 -3.690 1.846) 4.650 18.331 ( 2.144 3.690 1.846) 4.650 24.809 ( 0.297 -2.896 0.167) 2.916 24.809 ( 0.297 2.896 0.167) 2.916 26.885 ( -0.080 -4.615 -0.193) 4.620 26.885 ( -0.080 4.615 -0.193) 4.620 28.385 ( -0.005 -4.142 -1.511) 4.409 28.385 ( -0.005 4.142 -1.511) 4.409 28.680 ( -1.048 -3.417 -0.236) 3.582 28.680 ( -1.048 3.417 -0.236) 3.582 29.003 ( -1.261 -4.857 0.067) 5.019 29.003 ( -1.261 4.857 0.067) 5.019 29.835 ( 0.282 -1.493 0.471) 1.591 29.835 ( 0.282 1.493 0.471) 1.591 30.936 ( 2.030 -28.332 0.254) 28.405 30.936 ( 2.030 28.332 0.254) 28.405 ======================= Grid point 278 (153/156) ======================= q-point: (-0.36 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -1.427 -13.376 10.191) 16.877 2.637 ( -1.427 13.376 10.191) 16.877 2.969 ( -24.269 -8.589 10.295) 27.726 2.969 ( -24.269 8.589 10.295) 27.726 3.832 ( 0.960 -4.616 -2.163) 5.187 3.832 ( 0.960 4.616 -2.163) 5.187 4.469 ( 7.883 -12.110 -1.930) 14.578 4.469 ( 7.883 12.110 -1.930) 14.578 5.022 ( -5.068 -3.426 -5.126) 7.981 5.022 ( -5.068 3.426 -5.126) 7.981 5.233 ( 1.069 -0.918 2.749) 3.089 5.233 ( 1.069 0.918 2.749) 3.089 5.572 ( 6.120 -0.344 1.900) 6.418 5.572 ( 6.120 0.344 1.900) 6.418 5.858 ( 4.871 -5.059 -4.092) 8.128 5.858 ( 4.871 5.059 -4.092) 8.128 6.121 ( 12.448 -3.324 -0.739) 12.906 6.121 ( 12.448 3.324 -0.739) 12.906 6.463 ( -1.614 -8.058 3.393) 8.891 6.463 ( -1.614 8.058 3.393) 8.891 6.986 ( -4.590 -10.120 -6.886) 13.073 6.986 ( -4.590 10.120 -6.886) 13.073 7.531 ( -2.706 -2.152 -3.145) 4.674 7.531 ( -2.706 2.152 -3.145) 4.674 8.276 ( 0.074 -8.652 -0.299) 8.658 8.276 ( 0.074 8.652 -0.299) 8.658 8.591 ( 0.493 -7.388 2.257) 7.741 8.591 ( 0.493 7.388 2.257) 7.741 9.156 ( -0.189 -3.565 -5.162) 6.277 9.156 ( -0.189 3.565 -5.162) 6.277 9.620 ( 1.785 -7.807 7.392) 10.899 9.620 ( 1.785 7.807 7.392) 10.899 10.659 ( -0.341 -1.643 -1.426) 2.203 10.659 ( -0.341 1.643 -1.426) 2.203 11.300 ( -0.554 -7.512 -4.426) 8.736 11.300 ( -0.554 7.512 -4.426) 8.736 11.823 ( 2.580 -4.050 1.868) 5.153 11.823 ( 2.580 4.050 1.868) 5.153 12.440 ( 2.287 -3.009 8.048) 8.891 12.440 ( 2.287 3.009 8.048) 8.891 13.465 ( -7.132 -6.644 -6.897) 11.941 13.465 ( -7.132 6.644 -6.897) 11.941 14.083 ( 2.568 -2.298 7.793) 8.521 14.083 ( 2.568 2.298 7.793) 8.521 14.606 ( -0.294 -2.515 -2.031) 3.246 14.606 ( -0.294 2.515 -2.031) 3.246 15.380 ( 2.333 -9.776 3.389) 10.607 15.380 ( 2.333 9.777 3.389) 10.607 17.030 ( 2.478 -20.039 -0.045) 20.192 17.030 ( 2.478 20.039 -0.045) 20.192 18.369 ( 2.546 -3.913 -3.702) 5.958 18.369 ( 2.546 3.913 -3.702) 5.958 24.839 ( 2.202 -3.882 1.991) 4.887 24.839 ( 2.202 3.882 1.991) 4.887 26.871 ( -1.208 -4.726 -0.910) 4.962 26.871 ( -1.208 4.726 -0.910) 4.962 28.367 ( -1.383 -3.508 -1.013) 3.904 28.367 ( -1.383 3.508 -1.013) 3.904 28.673 ( -0.240 -5.032 2.649) 5.692 28.673 ( -0.240 5.032 2.649) 5.692 28.965 ( -2.534 -5.506 0.035) 6.061 28.965 ( -2.534 5.506 0.035) 6.061 29.853 ( 1.159 -1.446 0.495) 1.918 29.853 ( 1.159 1.446 0.495) 1.918 30.954 ( 1.289 -26.660 -4.742) 27.109 30.954 ( 1.289 26.660 -4.742) 27.109 ======================= Grid point 280 (154/156) ======================= q-point: (-0.27 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -12.024 -4.640 10.772) 16.797 2.595 ( -12.024 4.640 10.772) 16.797 2.810 ( -1.844 -10.135 18.623) 21.282 2.810 ( -1.844 10.135 18.623) 21.282 3.805 ( -1.422 -1.739 -4.411) 4.950 3.805 ( -1.422 1.739 -4.411) 4.950 4.452 ( -5.578 -8.132 -5.205) 11.151 4.452 ( -5.578 8.132 -5.205) 11.151 4.975 ( -0.100 -4.390 -1.040) 4.513 4.975 ( -0.100 4.390 -1.040) 4.513 5.246 ( -1.471 -3.481 3.633) 5.242 5.246 ( -1.471 3.481 3.633) 5.242 5.678 ( 5.547 -2.353 0.142) 6.027 5.678 ( 5.547 2.353 0.142) 6.027 5.922 ( 1.581 -10.792 2.039) 11.096 5.922 ( 1.581 10.792 2.039) 11.096 6.296 ( 7.635 -11.477 -2.920) 14.090 6.296 ( 7.635 11.477 -2.920) 14.090 6.528 ( 6.341 -5.364 1.078) 8.375 6.528 ( 6.341 5.364 1.078) 8.375 6.844 ( -3.570 -5.767 -9.606) 11.759 6.844 ( -3.570 5.767 -9.606) 11.759 7.436 ( -5.051 -2.609 -4.699) 7.376 7.436 ( -5.051 2.609 -4.699) 7.376 8.240 ( -2.799 -11.198 -5.031) 12.592 8.240 ( -2.799 11.198 -5.031) 12.592 8.637 ( 2.028 -9.975 4.597) 11.169 8.637 ( 2.028 9.975 4.597) 11.169 9.124 ( 1.707 -2.978 -7.597) 8.337 9.124 ( 1.707 2.978 -7.597) 8.337 9.753 ( 6.603 -6.984 10.285) 14.077 9.753 ( 6.603 6.984 10.285) 14.077 10.634 ( -0.780 -1.680 -2.561) 3.160 10.634 ( -0.780 1.680 -2.561) 3.160 11.238 ( -1.864 -8.312 -7.918) 11.631 11.238 ( -1.864 8.312 -7.918) 11.631 11.909 ( 3.965 -6.955 6.447) 10.279 11.909 ( 3.965 6.955 6.447) 10.279 12.564 ( 4.033 -3.449 11.727) 12.872 12.564 ( 4.033 3.449 11.727) 12.872 13.284 ( -6.757 -8.499 -8.143) 13.572 13.284 ( -6.757 8.499 -8.143) 13.572 14.198 ( 3.660 -0.601 10.271) 10.920 14.198 ( 3.660 0.601 10.271) 10.920 14.588 ( -0.284 -0.516 -1.887) 1.976 14.588 ( -0.284 0.516 -1.887) 1.976 15.457 ( 1.950 -12.530 7.434) 14.700 15.457 ( 1.950 12.530 7.434) 14.700 17.087 ( 4.323 -16.350 -0.767) 16.930 17.087 ( 4.323 16.350 -0.767) 16.930 18.369 ( 1.462 -3.755 -8.336) 9.259 18.369 ( 1.462 3.755 -8.336) 9.259 24.911 ( 3.643 -4.965 3.796) 7.235 24.911 ( 3.643 4.965 3.796) 7.235 26.827 ( -2.804 -4.401 -1.663) 5.477 26.827 ( -2.804 4.401 -1.663) 5.477 28.317 ( -3.715 -3.110 -0.361) 4.858 28.317 ( -3.715 3.110 -0.361) 4.858 28.702 ( 0.534 -6.191 3.999) 7.389 28.702 ( 0.534 6.191 3.999) 7.389 28.940 ( 0.360 -4.500 1.645) 4.805 28.940 ( 0.360 4.500 1.645) 4.805 29.877 ( 1.353 -1.990 -0.313) 2.427 29.877 ( 1.353 1.990 -0.313) 2.427 30.912 ( -1.472 -22.475 -9.060) 24.277 30.912 ( -1.472 22.475 -9.060) 24.277 ======================= Grid point 282 (155/156) ======================= q-point: (-0.18 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -3.292 -12.039 10.771) 16.485 2.513 ( -3.292 12.039 10.771) 16.485 2.937 ( 0.509 -12.412 19.079) 22.766 2.937 ( 0.509 12.412 19.079) 22.766 3.722 ( -4.834 -5.407 -4.769) 8.680 3.722 ( -4.834 5.407 -4.769) 8.680 4.304 ( -5.809 -8.776 -3.544) 11.105 4.304 ( -5.809 8.776 -3.544) 11.105 4.920 ( -4.187 -7.628 -5.517) 10.303 4.920 ( -4.187 7.628 -5.517) 10.303 5.245 ( -1.800 -4.702 6.140) 7.940 5.245 ( -1.800 4.702 6.140) 7.940 5.767 ( 2.073 -0.885 3.885) 4.492 5.767 ( 2.073 0.885 3.885) 4.492 5.961 ( 3.252 -9.032 0.651) 9.621 5.961 ( 3.252 9.032 0.651) 9.621 6.363 ( 1.576 -12.516 -6.325) 14.111 6.363 ( 1.576 12.516 -6.325) 14.111 6.602 ( 3.715 -6.320 -3.857) 8.284 6.602 ( 3.715 6.320 -3.857) 8.284 6.816 ( 3.693 -5.958 -1.222) 7.116 6.816 ( 3.693 5.958 -1.222) 7.116 7.309 ( -5.093 -2.176 -3.736) 6.681 7.309 ( -5.093 2.176 -3.736) 6.681 8.096 ( -8.232 -10.092 -9.259) 15.979 8.096 ( -8.232 10.092 -9.259) 15.979 8.715 ( 2.311 -11.197 6.769) 13.287 8.715 ( 2.311 11.197 6.769) 13.287 9.125 ( 3.967 -7.322 -9.215) 12.420 9.125 ( 3.967 7.322 -9.215) 12.420 9.975 ( 10.862 -2.648 7.996) 13.745 9.975 ( 10.862 2.648 7.996) 13.745 10.611 ( 0.306 -3.629 -2.392) 4.357 10.611 ( 0.306 3.629 -2.392) 4.357 11.140 ( -2.702 -8.617 -9.444) 13.067 11.140 ( -2.702 8.617 -9.444) 13.067 12.027 ( 2.201 -9.413 10.935) 14.595 12.027 ( 2.201 9.413 10.935) 14.595 12.708 ( 3.204 -3.189 11.464) 12.323 12.708 ( 3.204 3.189 11.464) 12.323 13.152 ( -0.974 -11.011 -8.717) 14.077 13.152 ( -0.974 11.011 -8.717) 14.077 14.330 ( 2.783 -2.326 10.641) 11.242 14.330 ( 2.783 2.326 10.641) 11.242 14.577 ( 0.948 -3.107 -2.144) 3.892 14.577 ( 0.948 3.107 -2.144) 3.892 15.528 ( -0.112 -9.692 9.266) 13.410 15.528 ( -0.112 9.692 9.266) 13.410 17.181 ( 6.449 -10.645 -0.121) 12.446 17.181 ( 6.449 10.645 -0.121) 12.446 18.315 ( -0.888 -3.324 -10.733) 11.271 18.315 ( -0.888 3.324 -10.733) 11.271 25.011 ( 4.123 -5.446 4.999) 8.464 25.011 ( 4.123 5.446 4.999) 8.464 26.753 ( -3.809 -3.309 -2.117) 5.472 26.753 ( -3.809 3.309 -2.117) 5.472 28.236 ( -4.830 -3.224 0.115) 5.808 28.236 ( -4.830 3.224 0.115) 5.808 28.721 ( -0.578 -4.044 2.274) 4.675 28.721 ( -0.578 4.044 2.274) 4.675 29.027 ( 6.257 -1.713 6.311) 9.051 29.027 ( 6.257 1.713 6.311) 9.051 29.892 ( 1.087 -3.209 -2.504) 4.213 29.892 ( 1.087 3.209 -2.504) 4.213 30.783 ( -5.649 -15.827 -11.199) 20.194 30.783 ( -5.649 15.827 -11.199) 20.194 ======================= Grid point 284 (156/156) ======================= q-point: (-0.09 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 5.072 -18.940 10.672) 22.323 2.603 ( 5.072 18.940 10.672) 22.323 3.023 ( -2.101 -15.171 10.493) 18.566 3.023 ( -2.101 15.171 10.493) 18.566 3.583 ( -6.850 -12.068 -2.518) 14.103 3.583 ( -6.850 12.068 -2.518) 14.103 4.234 ( -1.421 -11.462 2.568) 11.832 4.234 ( -1.421 11.462 2.568) 11.832 4.780 ( -5.037 -8.608 -9.915) 14.064 4.780 ( -5.037 8.608 -9.915) 14.064 5.268 ( 0.059 -1.377 6.875) 7.012 5.268 ( 0.059 1.377 6.875) 7.012 5.777 ( -3.008 -1.086 2.856) 4.288 5.777 ( -3.008 1.086 2.856) 4.288 6.056 ( 6.067 -8.038 -1.645) 10.204 6.056 ( 6.067 8.038 -1.645) 10.204 6.311 ( -0.509 -7.873 -3.905) 8.803 6.311 ( -0.509 7.873 -3.905) 8.803 6.632 ( -0.469 -12.339 -2.696) 12.639 6.632 ( -0.469 12.339 -2.696) 12.639 6.892 ( 5.018 -4.599 -0.212) 6.810 6.892 ( 5.018 4.599 -0.212) 6.810 7.241 ( -0.429 -1.720 -0.633) 1.882 7.241 ( -0.429 1.720 -0.633) 1.882 7.854 ( -10.852 -3.598 -9.225) 14.691 7.854 ( -10.852 3.598 -9.225) 14.691 8.789 ( 0.857 -10.365 6.782) 12.417 8.789 ( 0.857 10.365 6.782) 12.417 9.139 ( 3.547 -9.226 -8.969) 13.347 9.139 ( 3.547 9.226 -8.969) 13.347 10.193 ( 7.259 -0.483 4.667) 8.643 10.193 ( 7.259 0.483 4.667) 8.643 10.628 ( 3.019 -3.525 -1.603) 4.910 10.628 ( 3.019 3.525 -1.603) 4.910 11.033 ( -2.578 -8.515 -8.722) 12.459 11.033 ( -2.578 8.515 -8.722) 12.459 12.099 ( -1.193 -7.252 9.622) 12.107 12.099 ( -1.193 7.252 9.622) 12.107 12.807 ( 1.144 -2.537 7.921) 8.396 12.807 ( 1.144 2.537 7.921) 8.396 13.155 ( 5.113 -11.295 -5.535) 13.578 13.155 ( 5.113 11.295 -5.535) 13.578 14.378 ( -3.155 -2.643 5.539) 6.901 14.378 ( -3.155 2.643 5.539) 6.901 14.634 ( 5.794 -4.536 0.549) 7.379 14.634 ( 5.794 4.536 0.549) 7.379 15.567 ( -1.099 -4.622 7.563) 8.931 15.567 ( -1.099 4.622 7.563) 8.931 17.311 ( 6.837 -9.378 1.365) 11.685 17.311 ( 6.837 9.378 1.365) 11.685 18.209 ( -3.342 -3.615 -9.862) 11.022 18.209 ( -3.342 3.615 -9.862) 11.022 25.110 ( 3.190 -5.019 4.740) 7.605 25.110 ( 3.190 5.019 4.740) 7.605 26.676 ( -3.024 -1.735 -1.844) 3.944 26.676 ( -3.024 1.735 -1.844) 3.944 28.159 ( -3.216 -3.012 -0.068) 4.407 28.159 ( -3.216 3.012 -0.068) 4.407 28.722 ( -0.403 -2.948 1.508) 3.336 28.722 ( -0.403 2.948 1.508) 3.336 29.216 ( 8.330 -3.092 9.849) 13.265 29.216 ( 8.330 3.092 9.849) 13.265 29.875 ( -0.334 -4.106 -6.826) 7.973 29.875 ( -0.334 4.106 -6.826) 7.973 30.590 ( -7.620 -8.235 -8.994) 14.379 30.590 ( -7.620 8.235 -8.994) 14.379 =================== 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 3/30492 10.0 4949.770 5386.471 4622.155 0.000 7.398 0.000 3/30492 20.0 1075.892 1027.673 1279.113 0.000 24.805 0.000 3/30492 30.0 361.707 339.578 426.503 0.000 5.455 0.000 3/30492 40.0 168.791 155.623 190.003 0.000 1.631 0.000 3/30492 50.0 96.191 87.862 104.876 0.000 0.580 0.000 3/30492 60.0 62.653 56.877 66.999 0.000 0.255 0.000 3/30492 70.0 44.738 40.408 47.278 0.000 0.144 0.000 3/30492 80.0 34.091 30.656 35.762 0.000 0.103 0.000 3/30492 90.0 27.236 24.397 28.439 0.000 0.089 0.000 3/30492 100.0 22.541 20.125 23.472 0.000 0.085 0.000 3/30492 110.0 19.166 17.065 19.929 0.000 0.085 0.000 3/30492 120.0 16.645 14.788 17.298 0.000 0.087 0.000 3/30492 130.0 14.701 13.038 15.279 0.000 0.089 0.000 3/30492 140.0 13.162 11.658 13.688 0.000 0.091 0.000 3/30492 150.0 11.917 10.546 12.404 0.000 0.094 0.000 3/30492 160.0 10.891 9.632 11.350 0.000 0.096 0.000 3/30492 170.0 10.031 8.869 10.468 0.000 0.097 0.000 3/30492 180.0 9.302 8.224 9.721 0.000 0.099 0.000 3/30492 190.0 8.675 7.670 9.079 0.000 0.100 0.000 3/30492 200.0 8.131 7.191 8.523 0.000 0.101 0.000 3/30492 210.0 7.655 6.772 8.035 0.000 0.101 0.000 3/30492 220.0 7.234 6.402 7.605 0.000 0.102 0.000 3/30492 230.0 6.859 6.074 7.221 0.000 0.102 0.000 3/30492 240.0 6.524 5.780 6.878 0.000 0.102 0.000 3/30492 250.0 6.221 5.516 6.568 0.000 0.102 0.000 3/30492 260.0 5.947 5.276 6.287 0.000 0.102 0.000 3/30492 270.0 5.698 5.059 6.032 0.000 0.102 0.000 3/30492 280.0 5.470 4.860 5.797 0.000 0.102 0.000 3/30492 290.0 5.261 4.677 5.582 0.000 0.101 0.000 3/30492 300.0 5.068 4.509 5.384 0.000 0.101 0.000 3/30492 310.0 4.889 4.354 5.200 0.000 0.100 0.000 3/30492 320.0 4.723 4.210 5.029 0.000 0.100 0.000 3/30492 330.0 4.569 4.075 4.870 0.000 0.099 0.000 3/30492 340.0 4.426 3.950 4.722 0.000 0.098 0.000 3/30492 350.0 4.291 3.833 4.583 0.000 0.098 0.000 3/30492 360.0 4.165 3.723 4.452 0.000 0.097 0.000 3/30492 370.0 4.046 3.620 4.329 0.000 0.096 0.000 3/30492 380.0 3.935 3.523 4.214 0.000 0.096 0.000 3/30492 390.0 3.830 3.431 4.104 0.000 0.095 0.000 3/30492 400.0 3.730 3.344 4.001 0.000 0.094 0.000 3/30492 410.0 3.636 3.262 3.902 0.000 0.093 0.000 3/30492 420.0 3.546 3.184 3.809 0.000 0.093 0.000 3/30492 430.0 3.461 3.109 3.721 0.000 0.092 0.000 3/30492 440.0 3.380 3.039 3.636 0.000 0.091 0.000 3/30492 450.0 3.304 2.971 3.556 0.000 0.090 0.000 3/30492 460.0 3.230 2.907 3.479 0.000 0.089 0.000 3/30492 470.0 3.160 2.846 3.405 0.000 0.088 0.000 3/30492 480.0 3.093 2.787 3.335 0.000 0.088 0.000 3/30492 490.0 3.029 2.731 3.268 0.000 0.087 0.000 3/30492 500.0 2.967 2.677 3.203 0.000 0.086 0.000 3/30492 510.0 2.908 2.625 3.141 0.000 0.085 0.000 3/30492 520.0 2.852 2.575 3.082 0.000 0.084 0.000 3/30492 530.0 2.797 2.527 3.024 0.000 0.084 0.000 3/30492 540.0 2.745 2.481 2.969 0.000 0.083 0.000 3/30492 550.0 2.695 2.437 2.916 0.000 0.082 0.000 3/30492 560.0 2.646 2.394 2.865 0.000 0.081 0.000 3/30492 570.0 2.600 2.353 2.815 0.000 0.080 0.000 3/30492 580.0 2.555 2.313 2.768 0.000 0.080 0.000 3/30492 590.0 2.511 2.275 2.722 0.000 0.079 0.000 3/30492 600.0 2.469 2.237 2.677 0.000 0.078 0.000 3/30492 610.0 2.429 2.202 2.634 0.000 0.077 0.000 3/30492 620.0 2.389 2.167 2.592 0.000 0.076 0.000 3/30492 630.0 2.351 2.133 2.552 0.000 0.076 0.000 3/30492 640.0 2.314 2.100 2.513 0.000 0.075 0.000 3/30492 650.0 2.279 2.069 2.475 0.000 0.074 0.000 3/30492 660.0 2.244 2.038 2.438 0.000 0.073 0.000 3/30492 670.0 2.211 2.008 2.402 0.000 0.073 0.000 3/30492 680.0 2.178 1.979 2.368 0.000 0.072 0.000 3/30492 690.0 2.147 1.951 2.334 0.000 0.071 0.000 3/30492 700.0 2.116 1.924 2.301 0.000 0.071 0.000 3/30492 710.0 2.086 1.898 2.270 0.000 0.070 0.000 3/30492 720.0 2.057 1.872 2.239 0.000 0.069 0.000 3/30492 730.0 2.029 1.847 2.209 0.000 0.069 0.000 3/30492 740.0 2.002 1.822 2.179 0.000 0.068 0.000 3/30492 750.0 1.975 1.798 2.151 0.000 0.067 0.000 3/30492 760.0 1.949 1.775 2.123 0.000 0.067 0.000 3/30492 770.0 1.924 1.753 2.096 0.000 0.066 0.000 3/30492 780.0 1.900 1.731 2.070 0.000 0.066 0.000 3/30492 790.0 1.876 1.709 2.044 0.000 0.065 0.000 3/30492 800.0 1.852 1.688 2.019 0.000 0.064 0.000 3/30492 810.0 1.829 1.668 1.994 0.000 0.064 0.000 3/30492 820.0 1.807 1.648 1.970 0.000 0.063 0.000 3/30492 830.0 1.786 1.628 1.947 0.000 0.063 0.000 3/30492 840.0 1.764 1.609 1.924 0.000 0.062 0.000 3/30492 850.0 1.744 1.591 1.902 0.000 0.061 0.000 3/30492 860.0 1.723 1.573 1.880 0.000 0.061 0.000 3/30492 870.0 1.704 1.555 1.859 0.000 0.060 0.000 3/30492 880.0 1.684 1.538 1.838 0.000 0.060 0.000 3/30492 890.0 1.666 1.521 1.818 0.000 0.059 0.000 3/30492 900.0 1.647 1.504 1.798 0.000 0.059 0.000 3/30492 910.0 1.629 1.488 1.779 0.000 0.058 0.000 3/30492 920.0 1.611 1.472 1.760 0.000 0.058 0.000 3/30492 930.0 1.594 1.457 1.741 0.000 0.057 0.000 3/30492 940.0 1.577 1.441 1.723 0.000 0.057 0.000 3/30492 950.0 1.561 1.426 1.705 0.000 0.056 0.000 3/30492 960.0 1.545 1.412 1.688 0.000 0.056 0.000 3/30492 970.0 1.529 1.397 1.670 0.000 0.055 0.000 3/30492 980.0 1.513 1.383 1.654 0.000 0.055 0.000 3/30492 990.0 1.498 1.370 1.637 0.000 0.055 0.000 3/30492 1000.0 1.483 1.356 1.621 0.000 0.054 0.000 3/30492 Thermal conductivity related properties were written into "kappa-m1167.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:26:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|