----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:05:18]------------------------- Compiled with OpenMP support (max 48 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/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.699816680485646 0.000000000000000 0.000000000000000 b 0.000000000000000 8.888952200000000 0.000000000000000 c -3.917875529892320 0.000000000000000 6.886060983803479 Atomic positions (fractional): *1 P 0.06719528860262 0.10948249786850 0.05781865412108 30.974 2 P 0.93280471139738 0.89051750213150 0.94218134587892 30.974 3 P 0.06719528860262 0.39051750213150 0.55781865412108 30.974 4 P 0.93280471139738 0.60948249786850 0.44218134587892 30.974 *5 Cl 0.75809747169322 0.96691088555938 0.30534115588016 35.453 6 Cl 0.75809747169322 0.53308911444062 0.80534115588016 35.453 7 Cl 0.24190252830678 0.46691088555938 0.19465884411984 35.453 8 Cl 0.24190252830678 0.03308911444062 0.69465884411984 35.453 *9 Cl 0.41920111739065 0.80269820781323 0.41980120142193 35.453 10 Cl 0.58079888260935 0.30269820781323 0.08019879857807 35.453 11 Cl 0.58079888260935 0.19730179218676 0.58019879857807 35.453 12 Cl 0.41920111739065 0.69730179218677 0.91980120142193 35.453 *13 Cd 0.56692663821337 0.58138941145037 0.26976674675155 112.411 14 Cd 0.43307336178663 0.08138941145037 0.23023325324845 112.411 15 Cd 0.43307336178663 0.41861058854963 0.73023325324845 112.411 16 Cd 0.56692663821337 0.91861058854963 0.76976674675155 112.411 *17 Cd 0.03006527177977 0.70054444208125 0.20433741721717 112.411 18 Cd 0.96993472822023 0.20054444208125 0.29566258278283 112.411 19 Cd 0.96993472822023 0.29945555791875 0.79566258278283 112.411 20 Cd 0.03006527177977 0.79945555791875 0.70433741721717 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.699816680485646 0.000000000000000 0.000000000000000 b 0.000000000000000 8.888952200000000 0.000000000000000 c -3.917875529892320 0.000000000000000 6.886060983803479 Atomic positions (fractional): *1 P 0.06719528860262 0.10948249786850 0.05781865412108 30.974 > 1 2 P 0.93280471139738 0.89051750213150 0.94218134587892 30.974 > 2 3 P 0.06719528860262 0.39051750213150 0.55781865412108 30.974 > 3 4 P 0.93280471139738 0.60948249786850 0.44218134587892 30.974 > 4 *5 Cl 0.75809747169322 0.96691088555938 0.30534115588016 35.453 > 5 6 Cl 0.75809747169322 0.53308911444062 0.80534115588016 35.453 > 6 7 Cl 0.24190252830678 0.46691088555938 0.19465884411984 35.453 > 7 8 Cl 0.24190252830678 0.03308911444062 0.69465884411984 35.453 > 8 *9 Cl 0.41920111739065 0.80269820781323 0.41980120142193 35.453 > 9 10 Cl 0.58079888260935 0.30269820781323 0.08019879857807 35.453 > 10 11 Cl 0.58079888260935 0.19730179218676 0.58019879857807 35.453 > 11 12 Cl 0.41920111739065 0.69730179218677 0.91980120142193 35.453 > 12 *13 Cd 0.56692663821337 0.58138941145037 0.26976674675155 112.411 > 13 14 Cd 0.43307336178663 0.08138941145037 0.23023325324845 112.411 > 14 15 Cd 0.43307336178663 0.41861058854963 0.73023325324845 112.411 > 15 16 Cd 0.56692663821337 0.91861058854963 0.76976674675155 112.411 > 16 *17 Cd 0.03006527177977 0.70054444208125 0.20433741721717 112.411 > 17 18 Cd 0.96993472822023 0.20054444208125 0.29566258278283 112.411 > 18 19 Cd 0.96993472822023 0.29945555791875 0.79566258278283 112.411 > 19 20 Cd 0.03006527177977 0.79945555791875 0.70433741721717 112.411 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.399633360971292 0.000000000000000 0.000000000000000 b 0.000000000000000 8.888952200000000 0.000000000000000 c -7.835751059784640 0.000000000000000 13.772121967606958 Atomic positions (fractional): *1 P 0.03359764430131 0.10948249786850 0.02890932706054 30.974 > 1 2 P 0.53359764430131 0.10948249786850 0.02890932706054 30.974 > 1 3 P 0.03359764430131 0.10948249786850 0.52890932706054 30.974 > 1 4 P 0.53359764430131 0.10948249786850 0.52890932706054 30.974 > 1 5 P 0.46640235569869 0.89051750213150 0.47109067293946 30.974 > 2 6 P 0.96640235569869 0.89051750213150 0.47109067293946 30.974 > 2 7 P 0.46640235569869 0.89051750213150 0.97109067293946 30.974 > 2 8 P 0.96640235569869 0.89051750213150 0.97109067293946 30.974 > 2 9 P 0.03359764430131 0.39051750213150 0.27890932706054 30.974 > 3 10 P 0.53359764430131 0.39051750213150 0.27890932706054 30.974 > 3 11 P 0.03359764430131 0.39051750213150 0.77890932706054 30.974 > 3 12 P 0.53359764430131 0.39051750213150 0.77890932706054 30.974 > 3 13 P 0.46640235569869 0.60948249786850 0.22109067293946 30.974 > 4 14 P 0.96640235569869 0.60948249786850 0.22109067293946 30.974 > 4 15 P 0.46640235569869 0.60948249786850 0.72109067293946 30.974 > 4 16 P 0.96640235569869 0.60948249786850 0.72109067293946 30.974 > 4 *17 Cl 0.37904873584661 0.96691088555938 0.15267057794008 35.453 > 5 18 Cl 0.87904873584661 0.96691088555938 0.15267057794008 35.453 > 5 19 Cl 0.37904873584661 0.96691088555938 0.65267057794008 35.453 > 5 20 Cl 0.87904873584661 0.96691088555938 0.65267057794008 35.453 > 5 21 Cl 0.37904873584661 0.53308911444062 0.40267057794008 35.453 > 6 22 Cl 0.87904873584661 0.53308911444062 0.40267057794008 35.453 > 6 23 Cl 0.37904873584661 0.53308911444062 0.90267057794008 35.453 > 6 24 Cl 0.87904873584661 0.53308911444062 0.90267057794008 35.453 > 6 25 Cl 0.12095126415339 0.46691088555938 0.09732942205992 35.453 > 7 26 Cl 0.62095126415339 0.46691088555938 0.09732942205992 35.453 > 7 27 Cl 0.12095126415339 0.46691088555938 0.59732942205992 35.453 > 7 28 Cl 0.62095126415339 0.46691088555938 0.59732942205992 35.453 > 7 29 Cl 0.12095126415339 0.03308911444062 0.34732942205992 35.453 > 8 30 Cl 0.62095126415339 0.03308911444062 0.34732942205992 35.453 > 8 31 Cl 0.12095126415339 0.03308911444062 0.84732942205992 35.453 > 8 32 Cl 0.62095126415339 0.03308911444062 0.84732942205992 35.453 > 8 *33 Cl 0.20960055869532 0.80269820781323 0.20990060071097 35.453 > 9 34 Cl 0.70960055869532 0.80269820781323 0.20990060071097 35.453 > 9 35 Cl 0.20960055869532 0.80269820781323 0.70990060071097 35.453 > 9 36 Cl 0.70960055869532 0.80269820781323 0.70990060071097 35.453 > 9 37 Cl 0.29039944130468 0.30269820781323 0.04009939928903 35.453 > 10 38 Cl 0.79039944130468 0.30269820781323 0.04009939928903 35.453 > 10 39 Cl 0.29039944130468 0.30269820781323 0.54009939928903 35.453 > 10 40 Cl 0.79039944130468 0.30269820781323 0.54009939928903 35.453 > 10 41 Cl 0.29039944130468 0.19730179218676 0.29009939928903 35.453 > 11 42 Cl 0.79039944130468 0.19730179218676 0.29009939928903 35.453 > 11 43 Cl 0.29039944130468 0.19730179218676 0.79009939928903 35.453 > 11 44 Cl 0.79039944130468 0.19730179218676 0.79009939928903 35.453 > 11 45 Cl 0.20960055869532 0.69730179218677 0.45990060071097 35.453 > 12 46 Cl 0.70960055869532 0.69730179218677 0.45990060071097 35.453 > 12 47 Cl 0.20960055869532 0.69730179218677 0.95990060071097 35.453 > 12 48 Cl 0.70960055869532 0.69730179218677 0.95990060071097 35.453 > 12 *49 Cd 0.28346331910669 0.58138941145037 0.13488337337577 112.411 > 13 50 Cd 0.78346331910669 0.58138941145037 0.13488337337577 112.411 > 13 51 Cd 0.28346331910669 0.58138941145037 0.63488337337577 112.411 > 13 52 Cd 0.78346331910669 0.58138941145037 0.63488337337577 112.411 > 13 53 Cd 0.21653668089331 0.08138941145037 0.11511662662423 112.411 > 14 54 Cd 0.71653668089331 0.08138941145037 0.11511662662423 112.411 > 14 55 Cd 0.21653668089331 0.08138941145037 0.61511662662423 112.411 > 14 56 Cd 0.71653668089331 0.08138941145037 0.61511662662423 112.411 > 14 57 Cd 0.21653668089331 0.41861058854963 0.36511662662423 112.411 > 15 58 Cd 0.71653668089331 0.41861058854963 0.36511662662423 112.411 > 15 59 Cd 0.21653668089331 0.41861058854963 0.86511662662423 112.411 > 15 60 Cd 0.71653668089331 0.41861058854963 0.86511662662423 112.411 > 15 61 Cd 0.28346331910669 0.91861058854963 0.38488337337577 112.411 > 16 62 Cd 0.78346331910669 0.91861058854963 0.38488337337577 112.411 > 16 63 Cd 0.28346331910669 0.91861058854963 0.88488337337577 112.411 > 16 64 Cd 0.78346331910669 0.91861058854963 0.88488337337577 112.411 > 16 *65 Cd 0.01503263588988 0.70054444208125 0.10216870860859 112.411 > 17 66 Cd 0.51503263588988 0.70054444208125 0.10216870860859 112.411 > 17 67 Cd 0.01503263588988 0.70054444208125 0.60216870860859 112.411 > 17 68 Cd 0.51503263588988 0.70054444208125 0.60216870860859 112.411 > 17 69 Cd 0.48496736411012 0.20054444208125 0.14783129139141 112.411 > 18 70 Cd 0.98496736411012 0.20054444208125 0.14783129139141 112.411 > 18 71 Cd 0.48496736411012 0.20054444208125 0.64783129139141 112.411 > 18 72 Cd 0.98496736411012 0.20054444208125 0.64783129139141 112.411 > 18 73 Cd 0.48496736411012 0.29945555791875 0.39783129139141 112.411 > 19 74 Cd 0.98496736411012 0.29945555791875 0.39783129139141 112.411 > 19 75 Cd 0.48496736411012 0.29945555791875 0.89783129139141 112.411 > 19 76 Cd 0.98496736411012 0.29945555791875 0.89783129139141 112.411 > 19 77 Cd 0.01503263588988 0.79945555791875 0.35216870860859 112.411 > 20 78 Cd 0.51503263588988 0.79945555791875 0.35216870860859 112.411 > 20 79 Cd 0.01503263588988 0.79945555791875 0.85216870860859 112.411 > 20 80 Cd 0.51503263588988 0.79945555791875 0.85216870860859 112.411 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7890170 0.0000000 -0.0088537 0.0000000 5.8861905 0.0000000 -0.0088529 0.0000000 5.7432005 -------------------------- Born effective charges -------------------------- 1 P -0.9358425 0.1544014 0.2733538 0.0676952 -0.5926440 0.2083234 0.2046235 0.2040655 -1.0809372 2 P -0.9358425 0.1544014 0.2733538 0.0676952 -0.5926440 0.2083234 0.2046235 0.2040655 -1.0809372 3 P -0.9358425 -0.1544014 0.2733538 -0.0676952 -0.5926440 -0.2083234 0.2046235 -0.2040655 -1.0809372 4 P -0.9358425 -0.1544014 0.2733538 -0.0676952 -0.5926440 -0.2083234 0.2046235 -0.2040655 -1.0809372 5 Cl -1.9584605 -0.0013681 -0.1915784 0.0755564 -1.7062188 0.2848852 -0.0063395 0.2542442 -1.0602244 6 Cl -1.9584605 0.0013681 -0.1915784 -0.0755564 -1.7062188 -0.2848852 -0.0063395 -0.2542442 -1.0602244 7 Cl -1.9584605 0.0013681 -0.1915784 -0.0755564 -1.7062188 -0.2848852 -0.0063395 -0.2542442 -1.0602244 8 Cl -1.9584605 -0.0013681 -0.1915784 0.0755564 -1.7062188 0.2848852 -0.0063395 0.2542442 -1.0602244 9 Cl -1.5606963 0.0920294 -0.2604737 0.0283592 -1.5874399 -0.3511667 -0.1547579 -0.2301172 -1.9402006 10 Cl -1.5606963 -0.0920294 -0.2604737 -0.0283592 -1.5874399 0.3511667 -0.1547579 0.2301172 -1.9402006 11 Cl -1.5606963 0.0920294 -0.2604737 0.0283592 -1.5874399 -0.3511667 -0.1547579 -0.2301172 -1.9402006 12 Cl -1.5606963 -0.0920294 -0.2604737 -0.0283592 -1.5874399 0.3511667 -0.1547579 0.2301172 -1.9402006 13 Cd 2.4195567 0.0012400 0.2524326 -0.0994438 2.0103603 0.1573291 0.1115297 0.1546559 2.1532852 14 Cd 2.4195567 -0.0012400 0.2524326 0.0994438 2.0103603 -0.1573291 0.1115297 -0.1546559 2.1532852 15 Cd 2.4195567 0.0012400 0.2524326 -0.0994438 2.0103603 0.1573291 0.1115297 0.1546559 2.1532852 16 Cd 2.4195567 -0.0012400 0.2524326 0.0994438 2.0103603 -0.1573291 0.1115297 -0.1546559 2.1532852 17 Cd 2.0354426 -0.0312293 -0.0737342 0.0536646 1.8759424 -0.3771547 -0.1550557 -0.2996947 1.9280771 18 Cd 2.0354426 0.0312293 -0.0737342 -0.0536646 1.8759424 0.3771547 -0.1550557 0.2996947 1.9280771 19 Cd 2.0354426 -0.0312293 -0.0737342 0.0536646 1.8759424 -0.3771547 -0.1550557 -0.2996947 1.9280771 20 Cd 2.0354426 0.0312293 -0.0737342 -0.0536646 1.8759424 0.3771547 -0.1550557 0.2996947 1.9280771 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 640 - Time: 0.323 Solver_block: 200 / 640 - Time: 0.311 Solver_block: 300 / 640 - Time: 0.297 Solver_block: 400 / 640 - Time: 0.294 Solver_block: 500 / 640 - Time: 0.296 Solver_block: 600 / 640 - Time: 0.296 Solver_block: 640 / 640 - Time: 0.150 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.010 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:05:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:05:37]------------------------- Compiled with OpenMP support (max 48 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/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.699816680485646 0.000000000000000 0.000000000000000 b 0.000000000000000 8.888952200000000 0.000000000000000 c -3.917875529892320 0.000000000000000 6.886060983803479 Atomic positions (fractional): 1 P 0.06719528860262 0.10948249786850 0.05781865412108 30.974 2 P 0.93280471139738 0.89051750213150 0.94218134587892 30.974 3 P 0.06719528860262 0.39051750213150 0.55781865412108 30.974 4 P 0.93280471139738 0.60948249786850 0.44218134587892 30.974 5 Cl 0.75809747169322 0.96691088555938 0.30534115588016 35.453 6 Cl 0.75809747169322 0.53308911444062 0.80534115588016 35.453 7 Cl 0.24190252830678 0.46691088555938 0.19465884411984 35.453 8 Cl 0.24190252830678 0.03308911444062 0.69465884411984 35.453 9 Cl 0.41920111739065 0.80269820781323 0.41980120142193 35.453 10 Cl 0.58079888260935 0.30269820781323 0.08019879857807 35.453 11 Cl 0.58079888260935 0.19730179218676 0.58019879857807 35.453 12 Cl 0.41920111739065 0.69730179218677 0.91980120142193 35.453 13 Cd 0.56692663821337 0.58138941145037 0.26976674675155 112.411 14 Cd 0.43307336178663 0.08138941145037 0.23023325324845 112.411 15 Cd 0.43307336178663 0.41861058854963 0.73023325324845 112.411 16 Cd 0.56692663821337 0.91861058854963 0.76976674675155 112.411 17 Cd 0.03006527177977 0.70054444208125 0.20433741721717 112.411 18 Cd 0.96993472822023 0.20054444208125 0.29566258278283 112.411 19 Cd 0.96993472822023 0.29945555791875 0.79566258278283 112.411 20 Cd 0.03006527177977 0.79945555791875 0.70433741721717 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.399633360971292 0.000000000000000 0.000000000000000 b 0.000000000000000 8.888952200000000 0.000000000000000 c -7.835751059784640 0.000000000000000 13.772121967606958 Atomic positions (fractional): 1 P 0.03359764430131 0.10948249786850 0.02890932706054 30.974 > 1 2 P 0.53359764430131 0.10948249786850 0.02890932706054 30.974 > 1 3 P 0.03359764430131 0.10948249786850 0.52890932706054 30.974 > 1 4 P 0.53359764430131 0.10948249786850 0.52890932706054 30.974 > 1 5 P 0.46640235569869 0.89051750213150 0.47109067293946 30.974 > 5 6 P 0.96640235569869 0.89051750213150 0.47109067293946 30.974 > 5 7 P 0.46640235569869 0.89051750213150 0.97109067293946 30.974 > 5 8 P 0.96640235569869 0.89051750213150 0.97109067293946 30.974 > 5 9 P 0.03359764430131 0.39051750213150 0.27890932706054 30.974 > 9 10 P 0.53359764430131 0.39051750213150 0.27890932706054 30.974 > 9 11 P 0.03359764430131 0.39051750213150 0.77890932706054 30.974 > 9 12 P 0.53359764430131 0.39051750213150 0.77890932706054 30.974 > 9 13 P 0.46640235569869 0.60948249786850 0.22109067293946 30.974 > 13 14 P 0.96640235569869 0.60948249786850 0.22109067293946 30.974 > 13 15 P 0.46640235569869 0.60948249786850 0.72109067293946 30.974 > 13 16 P 0.96640235569869 0.60948249786850 0.72109067293946 30.974 > 13 17 Cl 0.37904873584661 0.96691088555938 0.15267057794008 35.453 > 17 18 Cl 0.87904873584661 0.96691088555938 0.15267057794008 35.453 > 17 19 Cl 0.37904873584661 0.96691088555938 0.65267057794008 35.453 > 17 20 Cl 0.87904873584661 0.96691088555938 0.65267057794008 35.453 > 17 21 Cl 0.37904873584661 0.53308911444062 0.40267057794008 35.453 > 21 22 Cl 0.87904873584661 0.53308911444062 0.40267057794008 35.453 > 21 23 Cl 0.37904873584661 0.53308911444062 0.90267057794008 35.453 > 21 24 Cl 0.87904873584661 0.53308911444062 0.90267057794008 35.453 > 21 25 Cl 0.12095126415339 0.46691088555938 0.09732942205992 35.453 > 25 26 Cl 0.62095126415339 0.46691088555938 0.09732942205992 35.453 > 25 27 Cl 0.12095126415339 0.46691088555938 0.59732942205992 35.453 > 25 28 Cl 0.62095126415339 0.46691088555938 0.59732942205992 35.453 > 25 29 Cl 0.12095126415339 0.03308911444062 0.34732942205992 35.453 > 29 30 Cl 0.62095126415339 0.03308911444062 0.34732942205992 35.453 > 29 31 Cl 0.12095126415339 0.03308911444062 0.84732942205992 35.453 > 29 32 Cl 0.62095126415339 0.03308911444062 0.84732942205992 35.453 > 29 33 Cl 0.20960055869532 0.80269820781323 0.20990060071097 35.453 > 33 34 Cl 0.70960055869532 0.80269820781323 0.20990060071097 35.453 > 33 35 Cl 0.20960055869532 0.80269820781323 0.70990060071097 35.453 > 33 36 Cl 0.70960055869532 0.80269820781323 0.70990060071097 35.453 > 33 37 Cl 0.29039944130468 0.30269820781323 0.04009939928903 35.453 > 37 38 Cl 0.79039944130468 0.30269820781323 0.04009939928903 35.453 > 37 39 Cl 0.29039944130468 0.30269820781323 0.54009939928903 35.453 > 37 40 Cl 0.79039944130468 0.30269820781323 0.54009939928903 35.453 > 37 41 Cl 0.29039944130468 0.19730179218676 0.29009939928903 35.453 > 41 42 Cl 0.79039944130468 0.19730179218676 0.29009939928903 35.453 > 41 43 Cl 0.29039944130468 0.19730179218676 0.79009939928903 35.453 > 41 44 Cl 0.79039944130468 0.19730179218676 0.79009939928903 35.453 > 41 45 Cl 0.20960055869532 0.69730179218677 0.45990060071097 35.453 > 45 46 Cl 0.70960055869532 0.69730179218677 0.45990060071097 35.453 > 45 47 Cl 0.20960055869532 0.69730179218677 0.95990060071097 35.453 > 45 48 Cl 0.70960055869532 0.69730179218677 0.95990060071097 35.453 > 45 49 Cd 0.28346331910669 0.58138941145037 0.13488337337577 112.411 > 49 50 Cd 0.78346331910669 0.58138941145037 0.13488337337577 112.411 > 49 51 Cd 0.28346331910669 0.58138941145037 0.63488337337577 112.411 > 49 52 Cd 0.78346331910669 0.58138941145037 0.63488337337577 112.411 > 49 53 Cd 0.21653668089331 0.08138941145037 0.11511662662423 112.411 > 53 54 Cd 0.71653668089331 0.08138941145037 0.11511662662423 112.411 > 53 55 Cd 0.21653668089331 0.08138941145037 0.61511662662423 112.411 > 53 56 Cd 0.71653668089331 0.08138941145037 0.61511662662423 112.411 > 53 57 Cd 0.21653668089331 0.41861058854963 0.36511662662423 112.411 > 57 58 Cd 0.71653668089331 0.41861058854963 0.36511662662423 112.411 > 57 59 Cd 0.21653668089331 0.41861058854963 0.86511662662423 112.411 > 57 60 Cd 0.71653668089331 0.41861058854963 0.86511662662423 112.411 > 57 61 Cd 0.28346331910669 0.91861058854963 0.38488337337577 112.411 > 61 62 Cd 0.78346331910669 0.91861058854963 0.38488337337577 112.411 > 61 63 Cd 0.28346331910669 0.91861058854963 0.88488337337577 112.411 > 61 64 Cd 0.78346331910669 0.91861058854963 0.88488337337577 112.411 > 61 65 Cd 0.01503263588988 0.70054444208125 0.10216870860859 112.411 > 65 66 Cd 0.51503263588988 0.70054444208125 0.10216870860859 112.411 > 65 67 Cd 0.01503263588988 0.70054444208125 0.60216870860859 112.411 > 65 68 Cd 0.51503263588988 0.70054444208125 0.60216870860859 112.411 > 65 69 Cd 0.48496736411012 0.20054444208125 0.14783129139141 112.411 > 69 70 Cd 0.98496736411012 0.20054444208125 0.14783129139141 112.411 > 69 71 Cd 0.48496736411012 0.20054444208125 0.64783129139141 112.411 > 69 72 Cd 0.98496736411012 0.20054444208125 0.64783129139141 112.411 > 69 73 Cd 0.48496736411012 0.29945555791875 0.39783129139141 112.411 > 73 74 Cd 0.98496736411012 0.29945555791875 0.39783129139141 112.411 > 73 75 Cd 0.48496736411012 0.29945555791875 0.89783129139141 112.411 > 73 76 Cd 0.98496736411012 0.29945555791875 0.89783129139141 112.411 > 73 77 Cd 0.01503263588988 0.79945555791875 0.35216870860859 112.411 > 77 78 Cd 0.51503263588988 0.79945555791875 0.35216870860859 112.411 > 77 79 Cd 0.01503263588988 0.79945555791875 0.85216870860859 112.411 > 77 80 Cd 0.51503263588988 0.79945555791875 0.85216870860859 112.411 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7890170 0.0000000 -0.0088537 0.0000000 5.8861905 0.0000000 -0.0088529 0.0000000 5.7432005 -------------------------- Born effective charges -------------------------- 1 P -0.9358425 0.1544014 0.2733538 0.0676952 -0.5926440 0.2083234 0.2046235 0.2040655 -1.0809372 2 P -0.9358425 0.1544014 0.2733538 0.0676952 -0.5926440 0.2083234 0.2046235 0.2040655 -1.0809372 3 P -0.9358425 -0.1544014 0.2733538 -0.0676952 -0.5926440 -0.2083234 0.2046235 -0.2040655 -1.0809372 4 P -0.9358425 -0.1544014 0.2733538 -0.0676952 -0.5926440 -0.2083234 0.2046235 -0.2040655 -1.0809372 5 Cl -1.9584605 -0.0013681 -0.1915784 0.0755564 -1.7062188 0.2848852 -0.0063395 0.2542442 -1.0602244 6 Cl -1.9584605 0.0013681 -0.1915784 -0.0755564 -1.7062188 -0.2848852 -0.0063395 -0.2542442 -1.0602244 7 Cl -1.9584605 0.0013681 -0.1915784 -0.0755564 -1.7062188 -0.2848852 -0.0063395 -0.2542442 -1.0602244 8 Cl -1.9584605 -0.0013681 -0.1915784 0.0755564 -1.7062188 0.2848852 -0.0063395 0.2542442 -1.0602244 9 Cl -1.5606963 0.0920294 -0.2604737 0.0283592 -1.5874399 -0.3511667 -0.1547579 -0.2301172 -1.9402006 10 Cl -1.5606963 -0.0920294 -0.2604737 -0.0283592 -1.5874399 0.3511667 -0.1547579 0.2301172 -1.9402006 11 Cl -1.5606963 0.0920294 -0.2604737 0.0283592 -1.5874399 -0.3511667 -0.1547579 -0.2301172 -1.9402006 12 Cl -1.5606963 -0.0920294 -0.2604737 -0.0283592 -1.5874399 0.3511667 -0.1547579 0.2301172 -1.9402006 13 Cd 2.4195567 0.0012400 0.2524326 -0.0994438 2.0103603 0.1573291 0.1115297 0.1546559 2.1532852 14 Cd 2.4195567 -0.0012400 0.2524326 0.0994438 2.0103603 -0.1573291 0.1115297 -0.1546559 2.1532852 15 Cd 2.4195567 0.0012400 0.2524326 -0.0994438 2.0103603 0.1573291 0.1115297 0.1546559 2.1532852 16 Cd 2.4195567 -0.0012400 0.2524326 0.0994438 2.0103603 -0.1573291 0.1115297 -0.1546559 2.1532852 17 Cd 2.0354426 -0.0312293 -0.0737342 0.0536646 1.8759424 -0.3771547 -0.1550557 -0.2996947 1.9280771 18 Cd 2.0354426 0.0312293 -0.0737342 -0.0536646 1.8759424 0.3771547 -0.1550557 0.2996947 1.9280771 19 Cd 2.0354426 -0.0312293 -0.0737342 0.0536646 1.8759424 -0.3771547 -0.1550557 -0.2996947 1.9280771 20 Cd 2.0354426 0.0312293 -0.0737342 -0.0536646 1.8759424 0.3771547 -0.1550557 0.2996947 1.9280771 ---------------------------------------------------------------------------- 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 65, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) 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 09:05:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:05:48]------------------------- Compiled with OpenMP support (max 48 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/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.699816680485646 0.000000000000000 0.000000000000000 b 0.000000000000000 8.888952200000000 0.000000000000000 c -3.917875529892320 0.000000000000000 6.886060983803479 Atomic positions (fractional): 1 P 0.06719528860262 0.10948249786850 0.05781865412108 30.974 2 P 0.93280471139738 0.89051750213150 0.94218134587892 30.974 3 P 0.06719528860262 0.39051750213150 0.55781865412108 30.974 4 P 0.93280471139738 0.60948249786850 0.44218134587892 30.974 5 Cl 0.75809747169322 0.96691088555938 0.30534115588016 35.453 6 Cl 0.75809747169322 0.53308911444062 0.80534115588016 35.453 7 Cl 0.24190252830678 0.46691088555938 0.19465884411984 35.453 8 Cl 0.24190252830678 0.03308911444062 0.69465884411984 35.453 9 Cl 0.41920111739065 0.80269820781323 0.41980120142193 35.453 10 Cl 0.58079888260935 0.30269820781323 0.08019879857807 35.453 11 Cl 0.58079888260935 0.19730179218676 0.58019879857807 35.453 12 Cl 0.41920111739065 0.69730179218677 0.91980120142193 35.453 13 Cd 0.56692663821337 0.58138941145037 0.26976674675155 112.411 14 Cd 0.43307336178663 0.08138941145037 0.23023325324845 112.411 15 Cd 0.43307336178663 0.41861058854963 0.73023325324845 112.411 16 Cd 0.56692663821337 0.91861058854963 0.76976674675155 112.411 17 Cd 0.03006527177977 0.70054444208125 0.20433741721717 112.411 18 Cd 0.96993472822023 0.20054444208125 0.29566258278283 112.411 19 Cd 0.96993472822023 0.29945555791875 0.79566258278283 112.411 20 Cd 0.03006527177977 0.79945555791875 0.70433741721717 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.399633360971292 0.000000000000000 0.000000000000000 b 0.000000000000000 8.888952200000000 0.000000000000000 c -7.835751059784640 0.000000000000000 13.772121967606958 Atomic positions (fractional): 1 P 0.03359764430131 0.10948249786850 0.02890932706054 30.974 > 1 2 P 0.53359764430131 0.10948249786850 0.02890932706054 30.974 > 1 3 P 0.03359764430131 0.10948249786850 0.52890932706054 30.974 > 1 4 P 0.53359764430131 0.10948249786850 0.52890932706054 30.974 > 1 5 P 0.46640235569869 0.89051750213150 0.47109067293946 30.974 > 5 6 P 0.96640235569869 0.89051750213150 0.47109067293946 30.974 > 5 7 P 0.46640235569869 0.89051750213150 0.97109067293946 30.974 > 5 8 P 0.96640235569869 0.89051750213150 0.97109067293946 30.974 > 5 9 P 0.03359764430131 0.39051750213150 0.27890932706054 30.974 > 9 10 P 0.53359764430131 0.39051750213150 0.27890932706054 30.974 > 9 11 P 0.03359764430131 0.39051750213150 0.77890932706054 30.974 > 9 12 P 0.53359764430131 0.39051750213150 0.77890932706054 30.974 > 9 13 P 0.46640235569869 0.60948249786850 0.22109067293946 30.974 > 13 14 P 0.96640235569869 0.60948249786850 0.22109067293946 30.974 > 13 15 P 0.46640235569869 0.60948249786850 0.72109067293946 30.974 > 13 16 P 0.96640235569869 0.60948249786850 0.72109067293946 30.974 > 13 17 Cl 0.37904873584661 0.96691088555938 0.15267057794008 35.453 > 17 18 Cl 0.87904873584661 0.96691088555938 0.15267057794008 35.453 > 17 19 Cl 0.37904873584661 0.96691088555938 0.65267057794008 35.453 > 17 20 Cl 0.87904873584661 0.96691088555938 0.65267057794008 35.453 > 17 21 Cl 0.37904873584661 0.53308911444062 0.40267057794008 35.453 > 21 22 Cl 0.87904873584661 0.53308911444062 0.40267057794008 35.453 > 21 23 Cl 0.37904873584661 0.53308911444062 0.90267057794008 35.453 > 21 24 Cl 0.87904873584661 0.53308911444062 0.90267057794008 35.453 > 21 25 Cl 0.12095126415339 0.46691088555938 0.09732942205992 35.453 > 25 26 Cl 0.62095126415339 0.46691088555938 0.09732942205992 35.453 > 25 27 Cl 0.12095126415339 0.46691088555938 0.59732942205992 35.453 > 25 28 Cl 0.62095126415339 0.46691088555938 0.59732942205992 35.453 > 25 29 Cl 0.12095126415339 0.03308911444062 0.34732942205992 35.453 > 29 30 Cl 0.62095126415339 0.03308911444062 0.34732942205992 35.453 > 29 31 Cl 0.12095126415339 0.03308911444062 0.84732942205992 35.453 > 29 32 Cl 0.62095126415339 0.03308911444062 0.84732942205992 35.453 > 29 33 Cl 0.20960055869532 0.80269820781323 0.20990060071097 35.453 > 33 34 Cl 0.70960055869532 0.80269820781323 0.20990060071097 35.453 > 33 35 Cl 0.20960055869532 0.80269820781323 0.70990060071097 35.453 > 33 36 Cl 0.70960055869532 0.80269820781323 0.70990060071097 35.453 > 33 37 Cl 0.29039944130468 0.30269820781323 0.04009939928903 35.453 > 37 38 Cl 0.79039944130468 0.30269820781323 0.04009939928903 35.453 > 37 39 Cl 0.29039944130468 0.30269820781323 0.54009939928903 35.453 > 37 40 Cl 0.79039944130468 0.30269820781323 0.54009939928903 35.453 > 37 41 Cl 0.29039944130468 0.19730179218676 0.29009939928903 35.453 > 41 42 Cl 0.79039944130468 0.19730179218676 0.29009939928903 35.453 > 41 43 Cl 0.29039944130468 0.19730179218676 0.79009939928903 35.453 > 41 44 Cl 0.79039944130468 0.19730179218676 0.79009939928903 35.453 > 41 45 Cl 0.20960055869532 0.69730179218677 0.45990060071097 35.453 > 45 46 Cl 0.70960055869532 0.69730179218677 0.45990060071097 35.453 > 45 47 Cl 0.20960055869532 0.69730179218677 0.95990060071097 35.453 > 45 48 Cl 0.70960055869532 0.69730179218677 0.95990060071097 35.453 > 45 49 Cd 0.28346331910669 0.58138941145037 0.13488337337577 112.411 > 49 50 Cd 0.78346331910669 0.58138941145037 0.13488337337577 112.411 > 49 51 Cd 0.28346331910669 0.58138941145037 0.63488337337577 112.411 > 49 52 Cd 0.78346331910669 0.58138941145037 0.63488337337577 112.411 > 49 53 Cd 0.21653668089331 0.08138941145037 0.11511662662423 112.411 > 53 54 Cd 0.71653668089331 0.08138941145037 0.11511662662423 112.411 > 53 55 Cd 0.21653668089331 0.08138941145037 0.61511662662423 112.411 > 53 56 Cd 0.71653668089331 0.08138941145037 0.61511662662423 112.411 > 53 57 Cd 0.21653668089331 0.41861058854963 0.36511662662423 112.411 > 57 58 Cd 0.71653668089331 0.41861058854963 0.36511662662423 112.411 > 57 59 Cd 0.21653668089331 0.41861058854963 0.86511662662423 112.411 > 57 60 Cd 0.71653668089331 0.41861058854963 0.86511662662423 112.411 > 57 61 Cd 0.28346331910669 0.91861058854963 0.38488337337577 112.411 > 61 62 Cd 0.78346331910669 0.91861058854963 0.38488337337577 112.411 > 61 63 Cd 0.28346331910669 0.91861058854963 0.88488337337577 112.411 > 61 64 Cd 0.78346331910669 0.91861058854963 0.88488337337577 112.411 > 61 65 Cd 0.01503263588988 0.70054444208125 0.10216870860859 112.411 > 65 66 Cd 0.51503263588988 0.70054444208125 0.10216870860859 112.411 > 65 67 Cd 0.01503263588988 0.70054444208125 0.60216870860859 112.411 > 65 68 Cd 0.51503263588988 0.70054444208125 0.60216870860859 112.411 > 65 69 Cd 0.48496736411012 0.20054444208125 0.14783129139141 112.411 > 69 70 Cd 0.98496736411012 0.20054444208125 0.14783129139141 112.411 > 69 71 Cd 0.48496736411012 0.20054444208125 0.64783129139141 112.411 > 69 72 Cd 0.98496736411012 0.20054444208125 0.64783129139141 112.411 > 69 73 Cd 0.48496736411012 0.29945555791875 0.39783129139141 112.411 > 73 74 Cd 0.98496736411012 0.29945555791875 0.39783129139141 112.411 > 73 75 Cd 0.48496736411012 0.29945555791875 0.89783129139141 112.411 > 73 76 Cd 0.98496736411012 0.29945555791875 0.89783129139141 112.411 > 73 77 Cd 0.01503263588988 0.79945555791875 0.35216870860859 112.411 > 77 78 Cd 0.51503263588988 0.79945555791875 0.35216870860859 112.411 > 77 79 Cd 0.01503263588988 0.79945555791875 0.85216870860859 112.411 > 77 80 Cd 0.51503263588988 0.79945555791875 0.85216870860859 112.411 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7890170 0.0000000 -0.0088537 0.0000000 5.8861905 0.0000000 -0.0088529 0.0000000 5.7432005 -------------------------- Born effective charges -------------------------- 1 P -0.9358425 0.1544014 0.2733538 0.0676952 -0.5926440 0.2083234 0.2046235 0.2040655 -1.0809372 2 P -0.9358425 0.1544014 0.2733538 0.0676952 -0.5926440 0.2083234 0.2046235 0.2040655 -1.0809372 3 P -0.9358425 -0.1544014 0.2733538 -0.0676952 -0.5926440 -0.2083234 0.2046235 -0.2040655 -1.0809372 4 P -0.9358425 -0.1544014 0.2733538 -0.0676952 -0.5926440 -0.2083234 0.2046235 -0.2040655 -1.0809372 5 Cl -1.9584605 -0.0013681 -0.1915784 0.0755564 -1.7062188 0.2848852 -0.0063395 0.2542442 -1.0602244 6 Cl -1.9584605 0.0013681 -0.1915784 -0.0755564 -1.7062188 -0.2848852 -0.0063395 -0.2542442 -1.0602244 7 Cl -1.9584605 0.0013681 -0.1915784 -0.0755564 -1.7062188 -0.2848852 -0.0063395 -0.2542442 -1.0602244 8 Cl -1.9584605 -0.0013681 -0.1915784 0.0755564 -1.7062188 0.2848852 -0.0063395 0.2542442 -1.0602244 9 Cl -1.5606963 0.0920294 -0.2604737 0.0283592 -1.5874399 -0.3511667 -0.1547579 -0.2301172 -1.9402006 10 Cl -1.5606963 -0.0920294 -0.2604737 -0.0283592 -1.5874399 0.3511667 -0.1547579 0.2301172 -1.9402006 11 Cl -1.5606963 0.0920294 -0.2604737 0.0283592 -1.5874399 -0.3511667 -0.1547579 -0.2301172 -1.9402006 12 Cl -1.5606963 -0.0920294 -0.2604737 -0.0283592 -1.5874399 0.3511667 -0.1547579 0.2301172 -1.9402006 13 Cd 2.4195567 0.0012400 0.2524326 -0.0994438 2.0103603 0.1573291 0.1115297 0.1546559 2.1532852 14 Cd 2.4195567 -0.0012400 0.2524326 0.0994438 2.0103603 -0.1573291 0.1115297 -0.1546559 2.1532852 15 Cd 2.4195567 0.0012400 0.2524326 -0.0994438 2.0103603 0.1573291 0.1115297 0.1546559 2.1532852 16 Cd 2.4195567 -0.0012400 0.2524326 0.0994438 2.0103603 -0.1573291 0.1115297 -0.1546559 2.1532852 17 Cd 2.0354426 -0.0312293 -0.0737342 0.0536646 1.8759424 -0.3771547 -0.1550557 -0.2996947 1.9280771 18 Cd 2.0354426 0.0312293 -0.0737342 -0.0536646 1.8759424 0.3771547 -0.1550557 0.2996947 1.9280771 19 Cd 2.0354426 -0.0312293 -0.0737342 0.0536646 1.8759424 -0.3771547 -0.1550557 -0.2996947 1.9280771 20 Cd 2.0354426 0.0312293 -0.0737342 -0.0536646 1.8759424 0.3771547 -0.1550557 0.2996947 1.9280771 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 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: 0.53, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 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 0.559 ( 0.000 0.000 0.000) 0.000 0.939 ( 0.000 0.000 0.000) 0.000 1.095 ( 0.000 0.000 0.000) 0.000 1.106 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.446 ( 0.000 0.000 0.000) 0.000 1.509 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 1.819 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.127 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.772 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.322 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 8.998 ( 0.000 0.000 0.000) 0.000 9.559 ( 0.000 0.000 0.000) 0.000 9.854 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 10.047 ( 0.000 0.000 0.000) 0.000 10.682 ( 0.000 0.000 0.000) 0.000 10.900 ( 0.000 0.000 0.000) 0.000 11.072 ( 0.000 0.000 0.000) 0.000 14.141 ( 0.000 0.000 0.000) 0.000 14.177 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 18.686 0.000 1.534) 18.749 0.424 ( 15.066 0.000 10.678) 18.467 0.702 ( 10.183 0.000 5.167) 11.419 0.842 ( 31.385 0.000 10.190) 32.997 0.926 ( 0.236 0.000 0.988) 1.016 1.102 ( 2.650 0.000 -2.437) 3.600 1.147 ( -1.708 0.000 0.498) 1.779 1.180 ( 6.087 0.000 1.943) 6.389 1.378 ( -2.654 0.000 0.359) 2.679 1.479 ( 1.237 0.000 -1.614) 2.033 1.548 ( -3.004 0.000 5.891) 6.612 1.700 ( 1.053 0.000 3.338) 3.500 1.833 ( 0.290 0.000 -0.151) 0.327 1.852 ( -2.872 0.000 -2.535) 3.831 1.950 ( 2.484 0.000 -4.096) 4.791 2.071 ( -1.243 0.000 2.060) 2.406 2.129 ( -1.640 0.000 -3.972) 4.298 2.235 ( -3.350 0.000 -3.106) 4.568 2.303 ( -3.592 0.000 6.559) 7.478 2.440 ( 1.459 0.000 0.063) 1.460 2.518 ( -1.795 0.000 0.536) 1.873 2.563 ( 4.296 0.000 5.359) 6.868 2.761 ( -0.316 0.000 2.782) 2.800 2.799 ( -1.452 0.000 1.771) 2.290 2.952 ( 3.259 0.000 1.142) 3.454 3.242 ( -1.093 0.000 -0.476) 1.192 3.279 ( -7.339 0.000 0.320) 7.346 3.406 ( -4.119 0.000 -3.615) 5.481 3.490 ( 0.048 0.000 -0.748) 0.749 3.594 ( -3.758 0.000 0.294) 3.770 3.823 ( -3.408 0.000 0.247) 3.417 4.094 ( 1.859 0.000 -0.202) 1.870 4.124 ( 0.309 0.000 -0.005) 0.309 4.144 ( -1.557 0.000 -0.439) 1.617 4.383 ( 10.087 0.000 -21.443) 23.697 4.741 ( -1.627 0.000 -0.904) 1.862 4.971 ( 7.952 0.000 5.482) 9.658 5.029 ( -1.938 0.000 0.743) 2.075 5.212 ( -3.907 0.000 11.674) 12.310 5.252 ( -0.643 0.000 -0.313) 0.715 5.922 ( 0.130 0.000 1.397) 1.403 6.034 ( -3.858 0.000 -1.721) 4.224 6.182 ( -5.746 0.000 6.267) 8.502 6.239 ( -2.466 0.000 3.667) 4.419 6.352 ( -3.878 0.000 -1.546) 4.175 6.858 ( 6.335 0.000 3.964) 7.473 7.301 ( 1.282 0.000 -3.637) 3.857 7.527 ( 10.552 0.000 -1.031) 10.602 7.603 ( -7.841 0.000 -2.976) 8.387 7.896 ( 2.114 0.000 -0.835) 2.273 8.997 ( 0.027 0.000 -0.253) 0.254 9.729 ( 6.166 0.000 -11.125) 12.719 9.864 ( 0.787 0.000 0.257) 0.828 9.958 ( -6.483 0.000 7.787) 10.132 10.044 ( 0.016 0.000 -0.493) 0.493 10.678 ( -0.203 0.000 -0.347) 0.402 10.900 ( 0.019 0.000 0.056) 0.059 11.067 ( -0.313 0.000 -0.307) 0.438 14.138 ( -0.179 0.000 -0.125) 0.218 14.176 ( -0.053 0.000 -0.079) 0.095 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 14.970 0.000 1.515) 15.047 0.746 ( 8.447 0.000 7.474) 11.279 0.879 ( -1.795 0.000 -0.931) 2.022 0.950 ( 8.723 0.000 3.407) 9.364 1.008 ( -1.205 0.000 -3.144) 3.367 1.114 ( -1.358 0.000 0.505) 1.449 1.317 ( 2.844 0.000 5.670) 6.343 1.382 ( 3.509 0.000 -1.827) 3.956 1.467 ( 1.614 0.000 1.295) 2.069 1.475 ( 7.836 0.000 0.105) 7.836 1.599 ( 4.166 0.000 4.224) 5.933 1.796 ( 0.173 0.000 -0.627) 0.650 1.831 ( 3.477 0.000 -5.006) 6.095 1.844 ( 11.323 0.000 9.930) 15.060 2.018 ( 4.611 0.000 1.114) 4.744 2.051 ( 3.266 0.000 -2.919) 4.380 2.052 ( -4.269 0.000 -2.168) 4.788 2.218 ( 2.079 0.000 1.529) 2.581 2.305 ( -0.261 0.000 2.676) 2.689 2.415 ( -3.799 0.000 0.190) 3.804 2.520 ( 0.288 0.000 1.944) 1.965 2.623 ( -1.452 0.000 -0.643) 1.588 2.772 ( -3.148 0.000 1.490) 3.483 2.785 ( -2.313 0.000 4.210) 4.804 2.990 ( -0.677 0.000 -1.013) 1.219 3.189 ( -0.223 0.000 0.812) 0.842 3.204 ( -1.969 0.000 -1.448) 2.444 3.258 ( -5.791 0.000 -5.134) 7.739 3.473 ( -0.620 0.000 -1.587) 1.704 3.508 ( -5.548 0.000 0.728) 5.595 3.754 ( -4.019 0.000 0.295) 4.030 4.100 ( -2.161 0.000 -0.711) 2.275 4.105 ( 0.831 0.000 -1.080) 1.363 4.154 ( 1.194 0.000 1.437) 1.868 4.342 ( 3.212 0.000 -9.222) 9.766 4.726 ( 0.983 0.000 -0.017) 0.983 5.016 ( -0.520 0.000 1.201) 1.309 5.144 ( 2.270 0.000 1.611) 2.783 5.256 ( -1.259 0.000 5.414) 5.558 5.287 ( 5.216 0.000 3.664) 6.374 5.885 ( -6.561 0.000 -0.697) 6.598 5.974 ( 0.930 0.000 0.224) 0.957 6.079 ( -9.995 0.000 -2.230) 10.241 6.146 ( -4.685 0.000 1.841) 5.033 6.360 ( 1.818 0.000 2.293) 2.926 7.036 ( 5.843 0.000 4.176) 7.182 7.298 ( 1.522 0.000 -2.211) 2.684 7.459 ( -2.960 0.000 -1.068) 3.147 7.739 ( 10.544 0.000 1.981) 10.728 7.872 ( -2.558 0.000 -3.144) 4.053 8.994 ( -0.050 0.000 -0.359) 0.362 9.718 ( 1.323 0.000 -4.209) 4.412 9.882 ( 0.687 0.000 0.196) 0.714 9.914 ( -3.812 0.000 2.698) 4.670 10.038 ( 0.050 0.000 -0.697) 0.699 10.668 ( -0.348 0.000 -0.461) 0.578 10.902 ( 0.125 0.000 0.135) 0.184 11.057 ( -0.366 0.000 -0.376) 0.525 14.132 ( -0.236 0.000 -0.163) 0.286 14.174 ( -0.078 0.000 -0.106) 0.131 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -1.833 0.000 0.623) 1.936 0.891 ( 2.069 0.000 2.379) 3.153 0.949 ( 9.214 0.000 -0.295) 9.219 0.969 ( 0.166 0.000 -1.826) 1.834 1.034 ( 0.406 0.000 -0.217) 0.460 1.081 ( -3.257 0.000 0.358) 3.276 1.362 ( 0.483 0.000 -1.599) 1.671 1.488 ( -0.902 0.000 -0.036) 0.902 1.489 ( 4.916 0.000 6.025) 7.777 1.615 ( 6.481 0.000 3.928) 7.578 1.631 ( 0.007 0.000 -0.562) 0.562 1.827 ( 1.416 0.000 -5.112) 5.305 1.831 ( 1.184 0.000 1.842) 2.190 1.910 ( -6.836 0.000 -2.448) 7.261 1.947 ( -0.185 0.000 -1.356) 1.368 2.126 ( 4.424 0.000 3.449) 5.610 2.282 ( -3.739 0.000 -3.182) 4.910 2.288 ( 6.391 0.000 4.238) 7.668 2.385 ( 7.504 0.000 3.750) 8.389 2.406 ( 2.315 0.000 2.527) 3.427 2.528 ( -1.817 0.000 0.433) 1.868 2.541 ( 3.013 0.000 -2.541) 3.941 2.743 ( -5.068 0.000 0.357) 5.080 2.749 ( -0.286 0.000 1.697) 1.721 2.939 ( -2.996 0.000 -1.041) 3.171 3.088 ( -3.979 0.000 -4.050) 5.678 3.181 ( -0.858 0.000 -0.460) 0.974 3.235 ( 1.430 0.000 1.467) 2.049 3.412 ( -2.648 0.000 -0.647) 2.726 3.459 ( -0.919 0.000 0.124) 0.927 3.695 ( -2.019 0.000 0.156) 2.025 4.062 ( -1.013 0.000 -0.360) 1.075 4.110 ( 0.435 0.000 -0.356) 0.562 4.181 ( 0.431 0.000 0.621) 0.756 4.315 ( 0.889 0.000 -2.843) 2.979 4.763 ( 1.644 0.000 0.572) 1.740 5.025 ( 0.113 0.000 0.624) 0.634 5.146 ( -0.489 0.000 -0.195) 0.527 5.278 ( -0.407 0.000 1.704) 1.752 5.423 ( 3.312 0.000 2.081) 3.912 5.759 ( -3.917 0.000 -1.303) 4.128 5.894 ( -5.145 0.000 -1.950) 5.502 6.007 ( 0.886 0.000 1.019) 1.350 6.099 ( -1.842 0.000 0.650) 1.954 6.407 ( 0.843 0.000 1.083) 1.372 7.096 ( -0.465 0.000 0.301) 0.554 7.304 ( 0.598 0.000 -0.715) 0.932 7.531 ( 6.851 0.000 4.328) 8.103 7.742 ( -6.365 0.000 -4.691) 7.907 7.909 ( 4.657 0.000 1.168) 4.802 8.989 ( -0.057 0.000 -0.177) 0.186 9.694 ( -0.342 0.000 -1.212) 1.260 9.885 ( -1.117 0.000 0.641) 1.287 9.891 ( 0.207 0.000 0.049) 0.213 10.033 ( 0.032 0.000 -0.345) 0.347 10.659 ( -0.187 0.000 -0.216) 0.285 10.906 ( 0.092 0.000 0.084) 0.125 11.049 ( -0.154 0.000 -0.165) 0.226 14.128 ( -0.109 0.000 -0.075) 0.133 14.172 ( -0.039 0.000 -0.050) 0.063 ======================= Grid point 7 (5/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 0.000 16.675 0.000) 16.675 0.366 ( 0.000 18.781 0.000) 18.781 0.600 ( 0.000 20.657 0.000) 20.657 0.707 ( 0.000 10.756 0.000) 10.756 0.962 ( 0.000 2.002 0.000) 2.002 1.053 ( 0.000 -2.513 0.000) 2.513 1.144 ( 0.000 2.211 0.000) 2.211 1.154 ( 0.000 -1.047 0.000) 1.047 1.420 ( 0.000 -2.393 0.000) 2.393 1.511 ( 0.000 -3.638 0.000) 3.638 1.549 ( 0.000 3.918 0.000) 3.918 1.607 ( 0.000 -8.165 0.000) 8.165 1.880 ( 0.000 5.942 0.000) 5.942 1.956 ( 0.000 -0.411 0.000) 0.411 1.989 ( 0.000 -5.355 0.000) 5.355 2.014 ( 0.000 3.986 0.000) 3.986 2.219 ( 0.000 1.895 0.000) 1.895 2.302 ( 0.000 -0.754 0.000) 0.754 2.337 ( 0.000 0.330 0.000) 0.330 2.403 ( 0.000 -0.596 0.000) 0.596 2.528 ( 0.000 -1.523 0.000) 1.523 2.536 ( 0.000 8.200 0.000) 8.200 2.715 ( 0.000 -2.829 0.000) 2.829 2.862 ( 0.000 1.991 0.000) 1.991 2.886 ( 0.000 -0.930 0.000) 0.930 3.297 ( 0.000 -3.921 0.000) 3.921 3.483 ( 0.000 1.923 0.000) 1.923 3.501 ( 0.000 1.249 0.000) 1.249 3.633 ( 0.000 0.767 0.000) 0.767 3.736 ( 0.000 1.979 0.000) 1.979 3.846 ( 0.000 -1.291 0.000) 1.291 3.994 ( 0.000 0.395 0.000) 0.395 4.123 ( 0.000 0.069 0.000) 0.069 4.126 ( 0.000 -0.085 0.000) 0.085 4.149 ( 0.000 -1.147 0.000) 1.147 4.622 ( 0.000 -14.472 0.000) 14.472 5.035 ( 0.000 -1.607 0.000) 1.607 5.089 ( 0.000 -0.812 0.000) 0.812 5.253 ( 0.000 0.299 0.000) 0.299 5.641 ( 0.000 0.599 0.000) 0.599 5.882 ( 0.000 -4.047 0.000) 4.047 5.993 ( 0.000 4.044 0.000) 4.044 6.051 ( 0.000 -2.715 0.000) 2.715 6.217 ( 0.000 0.425 0.000) 0.425 6.459 ( 0.000 9.325 0.000) 9.325 6.780 ( 0.000 -1.587 0.000) 1.587 7.047 ( 0.000 3.120 0.000) 3.120 7.352 ( 0.000 2.794 0.000) 2.794 7.719 ( 0.000 -1.127 0.000) 1.127 7.810 ( 0.000 -4.160 0.000) 4.160 9.034 ( 0.000 2.589 0.000) 2.589 9.540 ( 0.000 -3.166 0.000) 3.166 9.753 ( 0.000 -7.923 0.000) 7.923 9.879 ( 0.000 -2.844 0.000) 2.844 10.243 ( 0.000 13.132 0.000) 13.132 10.699 ( 0.000 1.612 0.000) 1.612 10.895 ( 0.000 -0.458 0.000) 0.458 11.039 ( 0.000 -3.509 0.000) 3.509 14.143 ( 0.000 0.281 0.000) 0.281 14.175 ( 0.000 -0.231 0.000) 0.231 ======================= Grid point 8 (6/100) ======================= q-point: ( 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 11.944 9.145 -0.223) 15.045 0.545 ( 15.092 8.906 1.001) 17.552 0.773 ( 7.613 4.086 3.916) 9.487 0.950 ( -1.051 2.571 0.672) 2.857 1.011 ( 14.815 11.975 7.476) 20.464 1.096 ( 9.566 2.106 1.836) 9.965 1.125 ( 0.637 -1.117 0.628) 1.431 1.195 ( 4.750 1.444 1.379) 5.153 1.380 ( -1.825 -0.429 -0.272) 1.894 1.490 ( -0.012 0.313 -2.392) 2.412 1.561 ( 0.011 1.442 1.444) 2.040 1.645 ( 2.734 -6.685 3.073) 7.849 1.811 ( -3.154 3.347 -0.300) 4.609 1.917 ( -1.820 2.670 -3.227) 4.567 1.943 ( 0.770 -1.125 -3.904) 4.136 2.087 ( 2.397 -0.919 3.885) 4.657 2.206 ( -2.087 4.867 -2.466) 5.842 2.213 ( -2.811 0.314 -4.753) 5.531 2.359 ( -3.934 4.544 5.671) 8.264 2.440 ( 1.317 0.158 -0.532) 1.430 2.506 ( -0.009 -0.351 2.909) 2.930 2.594 ( 2.870 2.178 1.178) 3.790 2.727 ( -0.501 -2.604 3.403) 4.314 2.828 ( -2.699 1.921 0.817) 3.412 2.931 ( 2.890 -1.806 1.712) 3.814 3.247 ( -4.713 -3.381 -1.164) 5.916 3.390 ( -9.541 7.088 -1.852) 12.029 3.433 ( -4.573 4.383 -3.167) 7.082 3.511 ( -0.241 3.069 -1.357) 3.365 3.611 ( -4.846 2.129 -0.335) 5.304 3.820 ( -2.947 -0.314 -0.049) 2.964 4.078 ( 2.271 -2.012 0.156) 3.038 4.105 ( -0.307 -1.396 -1.234) 1.888 4.153 ( 0.261 0.854 1.035) 1.367 4.270 ( 10.030 -6.652 -7.770) 14.326 4.603 ( -1.325 -13.469 -0.004) 13.534 4.997 ( 0.130 -0.263 -2.202) 2.222 5.106 ( 0.235 -0.043 0.016) 0.239 5.238 ( -0.699 3.061 -1.753) 3.596 5.302 ( -7.820 8.450 5.923) 12.947 5.899 ( 0.600 -2.306 1.990) 3.104 6.004 ( -4.033 -2.561 -1.065) 4.895 6.192 ( -2.813 0.061 6.507) 7.090 6.237 ( 1.645 -0.724 3.328) 3.782 6.435 ( -4.367 9.414 -2.787) 10.745 6.842 ( 5.553 -1.591 3.454) 6.730 7.243 ( 8.053 -6.553 -1.761) 10.530 7.409 ( 4.012 -3.134 1.042) 5.196 7.623 ( -3.327 0.527 -0.646) 3.430 7.888 ( 3.460 -1.706 -0.149) 3.861 9.027 ( -0.019 3.003 -0.586) 3.059 9.605 ( 4.756 -9.045 -3.780) 10.895 9.786 ( -1.150 -6.614 5.298) 8.552 9.881 ( 0.813 -2.517 -2.048) 3.345 10.241 ( -0.633 13.045 0.680) 13.078 10.690 ( -0.373 1.453 -0.354) 1.542 10.894 ( -0.114 -0.622 0.026) 0.633 11.033 ( -0.315 -3.597 -0.404) 3.634 14.141 ( -0.169 0.293 -0.122) 0.359 14.174 ( -0.060 -0.241 -0.082) 0.261 ======================= Grid point 9 (7/100) ======================= q-point: ( 0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 8.231 -0.230 3.613) 8.992 0.813 ( 12.985 4.593 -0.692) 13.791 0.903 ( 0.943 0.759 -0.041) 1.211 0.948 ( -0.638 0.761 0.212) 1.016 1.092 ( 4.816 7.943 2.008) 9.503 1.121 ( 0.405 0.593 1.097) 1.311 1.319 ( 3.460 -0.206 6.144) 7.054 1.396 ( 3.004 1.829 -1.172) 3.707 1.433 ( -0.058 -2.251 0.081) 2.253 1.501 ( 7.175 1.409 -1.546) 7.474 1.609 ( 2.493 1.422 1.676) 3.323 1.749 ( 3.286 -4.019 0.034) 5.192 1.855 ( 5.732 2.220 3.788) 7.220 1.883 ( 5.848 3.388 0.517) 6.778 1.972 ( 5.153 -2.170 0.625) 5.626 2.105 ( -2.151 4.514 -2.193) 5.460 2.143 ( -1.073 5.775 -0.946) 5.950 2.198 ( 3.261 -0.498 2.846) 4.357 2.351 ( -0.083 4.121 0.446) 4.146 2.412 ( -3.084 -0.530 0.295) 3.144 2.541 ( 0.839 1.933 2.806) 3.509 2.611 ( -1.682 -1.016 -2.064) 2.850 2.751 ( -2.514 -1.648 4.109) 5.091 2.794 ( -2.812 0.394 2.164) 3.570 2.990 ( 1.178 -0.766 0.723) 1.580 3.128 ( -4.397 -4.587 -2.649) 6.885 3.268 ( -2.824 5.307 -1.371) 6.166 3.314 ( -3.924 5.023 -3.407) 7.227 3.483 ( -1.274 1.022 -1.286) 2.079 3.507 ( -5.625 0.618 0.104) 5.660 3.757 ( -3.779 0.135 0.186) 3.786 4.083 ( -1.241 -1.377 -0.295) 1.877 4.097 ( 0.738 -0.877 -0.977) 1.506 4.179 ( 1.118 2.130 1.155) 2.669 4.314 ( 4.125 -2.868 -6.222) 7.997 4.593 ( 0.375 -12.772 0.560) 12.790 4.996 ( -0.084 -1.629 1.050) 1.940 5.105 ( -0.683 -3.628 -0.069) 3.693 5.280 ( 2.454 0.043 2.236) 3.320 5.295 ( 0.027 2.906 4.045) 4.981 5.877 ( -6.252 -0.368 0.109) 6.263 5.953 ( 1.028 -1.936 1.182) 2.490 6.162 ( -4.503 3.492 2.591) 6.260 6.213 ( -6.703 8.986 -2.450) 11.475 6.360 ( 1.048 1.254 1.175) 2.013 6.998 ( 5.099 -3.535 3.493) 7.120 7.286 ( 0.157 -1.705 -2.588) 3.103 7.423 ( 2.005 -4.577 -0.231) 5.002 7.697 ( 5.688 -0.641 2.250) 6.150 7.909 ( 0.708 1.599 -1.656) 2.408 9.022 ( -0.015 3.009 -0.437) 3.040 9.630 ( 1.892 -9.346 -2.134) 9.772 9.789 ( -2.911 -4.522 2.357) 5.872 9.871 ( 0.739 -1.776 -1.785) 2.624 10.235 ( -0.522 13.211 0.273) 13.224 10.681 ( -0.210 1.389 -0.375) 1.454 10.893 ( -0.005 -0.935 0.104) 0.940 11.021 ( -0.356 -3.703 -0.441) 3.746 14.136 ( -0.223 0.319 -0.160) 0.421 14.172 ( -0.087 -0.262 -0.110) 0.297 ======================= Grid point 10 (8/100) ======================= q-point: ( 0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 1.716 -4.278 1.580) 4.872 0.894 ( -1.336 4.538 0.945) 4.824 0.926 ( 0.239 -3.284 -1.402) 3.579 1.007 ( 8.722 2.382 -1.775) 9.214 1.119 ( -2.424 4.278 1.136) 5.047 1.148 ( -0.164 9.551 0.004) 9.553 1.360 ( 0.097 -0.329 -1.813) 1.846 1.438 ( -0.172 -2.848 2.817) 4.010 1.513 ( 4.160 0.584 2.997) 5.160 1.619 ( 4.570 0.183 3.672) 5.865 1.638 ( 2.107 0.765 -0.917) 2.422 1.797 ( 2.107 -1.971 0.594) 2.946 1.843 ( 0.333 1.355 -3.349) 3.628 1.940 ( -4.421 2.807 -4.411) 6.848 2.017 ( -1.283 6.010 0.950) 6.218 2.121 ( 4.225 -0.456 2.976) 5.188 2.253 ( 1.668 -1.295 1.756) 2.747 2.315 ( 0.589 0.731 -0.362) 1.006 2.350 ( 5.093 -1.883 3.710) 6.576 2.415 ( 1.919 1.026 1.216) 2.493 2.498 ( -4.606 -1.658 -4.015) 6.332 2.625 ( 5.416 5.398 1.810) 7.858 2.732 ( -2.138 -0.486 1.851) 2.869 2.764 ( -1.681 0.533 1.018) 2.036 2.983 ( -1.720 3.691 -0.494) 4.101 3.018 ( -3.308 -6.161 -3.111) 7.654 3.221 ( -1.374 4.244 -0.799) 4.532 3.269 ( 0.417 3.028 0.163) 3.061 3.419 ( -3.218 1.291 0.187) 3.472 3.452 ( -0.657 -0.517 -0.566) 1.009 3.699 ( -1.984 0.130 0.066) 1.990 4.056 ( -0.877 -0.528 -0.222) 1.047 4.103 ( 0.475 -0.610 -0.305) 0.831 4.204 ( 0.468 2.178 0.511) 2.286 4.317 ( 1.252 0.033 -2.231) 2.559 4.623 ( 1.176 -13.639 0.808) 13.713 5.012 ( 0.347 -1.393 0.879) 1.683 5.084 ( -0.742 -4.993 -0.501) 5.073 5.287 ( -0.875 0.132 1.008) 1.342 5.376 ( 1.951 -3.621 1.176) 4.278 5.775 ( -3.184 1.831 -0.392) 3.694 5.970 ( -1.058 -0.014 0.022) 1.059 6.071 ( -2.405 11.813 -0.219) 12.057 6.135 ( -1.461 3.591 -0.016) 3.877 6.400 ( 0.822 -0.463 1.070) 1.427 7.049 ( -0.500 -4.927 0.265) 4.959 7.274 ( 0.799 -2.070 -0.586) 2.295 7.535 ( 6.583 -2.658 3.249) 7.807 7.710 ( -4.046 0.624 -2.574) 4.835 7.942 ( 2.733 1.879 0.386) 3.339 9.018 ( -0.048 3.042 -0.175) 3.047 9.637 ( 0.526 -8.665 -0.690) 8.708 9.753 ( -1.699 -3.782 0.433) 4.169 9.870 ( 0.327 -2.205 -0.558) 2.298 10.230 ( -0.182 13.331 0.058) 13.333 10.675 ( -0.095 1.632 -0.173) 1.644 10.895 ( 0.045 -1.130 0.076) 1.133 11.013 ( -0.150 -3.748 -0.188) 3.755 14.131 ( -0.104 0.340 -0.074) 0.363 14.169 ( -0.043 -0.278 -0.052) 0.286 ======================= Grid point 14 (9/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.000 11.324 0.000) 11.324 0.681 ( 0.000 2.205 0.000) 2.205 0.682 ( 0.000 13.914 0.000) 13.914 0.956 ( 0.000 -1.689 0.000) 1.689 1.026 ( 0.000 1.090 0.000) 1.090 1.145 ( 0.000 5.840 0.000) 5.840 1.170 ( 0.000 14.932 0.000) 14.932 1.185 ( 0.000 2.033 0.000) 2.033 1.363 ( 0.000 -3.350 0.000) 3.350 1.408 ( 0.000 -12.059 0.000) 12.059 1.456 ( 0.000 -0.159 0.000) 0.159 1.646 ( 0.000 6.087 0.000) 6.087 1.848 ( 0.000 -9.242 0.000) 9.242 1.902 ( 0.000 -4.803 0.000) 4.803 2.032 ( 0.000 7.260 0.000) 7.260 2.107 ( 0.000 7.308 0.000) 7.308 2.212 ( 0.000 -3.064 0.000) 3.064 2.329 ( 0.000 2.944 0.000) 2.944 2.355 ( 0.000 -0.096 0.000) 0.096 2.422 ( 0.000 3.965 0.000) 3.965 2.468 ( 0.000 -4.858 0.000) 4.858 2.613 ( 0.000 -3.176 0.000) 3.176 2.745 ( 0.000 8.687 0.000) 8.687 2.872 ( 0.000 -0.414 0.000) 0.414 2.898 ( 0.000 2.003 0.000) 2.003 3.179 ( 0.000 -8.462 0.000) 8.462 3.529 ( 0.000 2.397 0.000) 2.397 3.535 ( 0.000 2.008 0.000) 2.008 3.675 ( 0.000 4.085 0.000) 4.085 3.783 ( 0.000 3.219 0.000) 3.219 3.813 ( 0.000 -2.176 0.000) 2.176 3.996 ( 0.000 -0.901 0.000) 0.901 4.113 ( 0.000 -1.355 0.000) 1.355 4.122 ( 0.000 -0.539 0.000) 0.539 4.135 ( 0.000 0.057 0.000) 0.057 4.307 ( 0.000 -16.435 0.000) 16.435 5.007 ( 0.000 -0.942 0.000) 0.942 5.050 ( 0.000 -2.748 0.000) 2.748 5.310 ( 0.000 5.689 0.000) 5.689 5.596 ( 0.000 -6.183 0.000) 6.183 5.848 ( 0.000 1.453 0.000) 1.453 5.988 ( 0.000 -3.891 0.000) 3.891 6.082 ( 0.000 4.874 0.000) 4.874 6.210 ( 0.000 -1.361 0.000) 1.361 6.620 ( 0.000 6.546 0.000) 6.546 6.745 ( 0.000 -2.044 0.000) 2.044 7.156 ( 0.000 8.541 0.000) 8.541 7.398 ( 0.000 0.871 0.000) 0.871 7.689 ( 0.000 -2.005 0.000) 2.005 7.710 ( 0.000 -5.512 0.000) 5.512 9.110 ( 0.000 5.488 0.000) 5.488 9.410 ( 0.000 -9.341 0.000) 9.341 9.698 ( 0.000 0.906 0.000) 0.906 9.813 ( 0.000 -3.917 0.000) 3.917 10.482 ( 0.000 11.937 0.000) 11.937 10.726 ( 0.000 0.448 0.000) 0.448 10.884 ( 0.000 -0.693 0.000) 0.693 10.950 ( 0.000 -5.351 0.000) 5.351 14.151 ( 0.000 0.469 0.000) 0.469 14.169 ( 0.000 -0.419 0.000) 0.419 ======================= Grid point 15 (10/100) ======================= q-point: ( 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 5.104 8.134 -4.905) 10.783 0.705 ( 10.357 7.895 -1.213) 13.080 0.829 ( 5.653 1.156 0.237) 5.774 0.968 ( -0.521 -2.128 3.636) 4.245 1.083 ( 3.100 3.875 2.757) 5.676 1.114 ( 0.298 2.541 -1.052) 2.766 1.198 ( 2.710 -0.072 0.617) 2.780 1.312 ( 9.175 6.070 0.627) 11.019 1.355 ( 0.235 -2.948 -0.132) 2.960 1.477 ( 7.948 -6.091 3.272) 10.535 1.538 ( 4.989 5.690 2.326) 7.917 1.637 ( -0.303 5.623 0.729) 5.678 1.857 ( -2.002 -2.488 -3.033) 4.404 1.929 ( 1.592 -2.096 -0.235) 2.643 1.961 ( -3.008 4.868 -1.890) 6.026 2.032 ( -0.526 -2.329 3.391) 4.147 2.226 ( 1.403 0.579 -3.379) 3.704 2.295 ( 0.136 2.990 -3.766) 4.811 2.405 ( -1.043 1.017 2.241) 2.673 2.481 ( 1.634 3.624 3.536) 5.320 2.513 ( 0.676 0.401 5.647) 5.701 2.606 ( 0.619 -2.160 -2.429) 3.309 2.722 ( -2.188 4.103 3.069) 5.571 2.850 ( -2.693 -0.130 -0.572) 2.756 2.906 ( 0.594 0.214 1.904) 2.006 3.139 ( -3.645 -7.797 -1.212) 8.692 3.467 ( -4.822 3.065 -2.590) 6.273 3.491 ( -4.063 1.330 -1.326) 4.476 3.619 ( -2.434 7.315 -0.860) 7.757 3.692 ( -5.840 5.982 -2.284) 8.666 3.808 ( -1.633 -1.181 -0.912) 2.212 4.021 ( 1.311 -4.488 0.858) 4.753 4.078 ( -0.135 -1.467 -1.468) 2.079 4.165 ( 3.286 -6.143 -2.302) 7.337 4.175 ( 1.948 1.387 1.757) 2.967 4.325 ( 0.711 -12.393 1.950) 12.566 4.987 ( -0.675 -0.355 -1.269) 1.480 5.048 ( -0.789 -3.695 0.514) 3.813 5.308 ( 0.071 4.845 -1.092) 4.967 5.438 ( -8.059 3.007 -2.412) 8.933 5.856 ( 0.814 -1.084 2.808) 3.118 5.947 ( -3.707 -3.457 0.270) 5.076 6.191 ( 2.182 0.648 5.113) 5.597 6.232 ( 0.773 -0.398 2.107) 2.279 6.630 ( -1.507 9.370 -1.366) 9.589 6.805 ( 4.619 -2.257 2.590) 5.757 7.173 ( 3.967 0.417 -0.714) 4.052 7.359 ( -3.837 -4.281 -2.843) 6.413 7.655 ( 2.103 3.438 1.857) 4.438 7.831 ( 4.982 -4.211 1.532) 6.701 9.108 ( 0.190 5.704 -0.534) 5.732 9.419 ( 1.104 -10.198 -0.702) 10.282 9.728 ( 1.165 -0.031 2.004) 2.318 9.820 ( 0.901 -3.612 -0.663) 3.782 10.480 ( -0.258 11.987 0.167) 11.991 10.719 ( -0.359 0.804 -0.310) 0.933 10.878 ( -0.486 -0.983 -0.047) 1.097 10.942 ( -0.400 -5.562 -0.681) 5.618 14.149 ( -0.143 0.488 -0.114) 0.521 14.168 ( -0.080 -0.436 -0.091) 0.453 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 3.525 2.261 0.055) 4.188 0.859 ( 1.156 -4.117 -2.873) 5.152 0.900 ( 10.236 4.532 -1.020) 11.241 1.004 ( -1.591 2.248 3.900) 4.774 1.117 ( 4.747 0.976 -1.152) 4.982 1.234 ( 4.486 3.376 2.655) 6.211 1.306 ( 4.084 0.313 7.437) 8.491 1.390 ( 2.256 -1.861 0.863) 3.049 1.462 ( 5.448 4.325 0.768) 6.999 1.539 ( 1.867 3.223 -6.477) 7.471 1.641 ( -0.114 0.743 -0.772) 1.078 1.663 ( 6.215 -4.577 -1.362) 7.837 1.894 ( 2.347 1.226 0.392) 2.676 1.927 ( 2.294 0.404 -0.933) 2.509 1.983 ( 7.454 4.207 6.755) 10.904 2.127 ( 1.481 -2.453 4.668) 5.477 2.207 ( 0.126 4.585 -3.494) 5.766 2.274 ( 0.979 3.515 -0.546) 3.689 2.391 ( -1.756 -0.892 -0.879) 2.157 2.463 ( -2.279 6.847 0.876) 7.269 2.542 ( -1.401 -1.823 -2.160) 3.154 2.622 ( 1.232 2.286 3.289) 4.191 2.726 ( -3.032 -0.561 4.641) 5.572 2.803 ( -2.250 0.429 0.955) 2.481 2.935 ( -0.244 -4.247 0.927) 4.354 3.040 ( -3.103 -5.055 -2.453) 6.419 3.358 ( -2.527 3.902 -2.179) 5.134 3.404 ( -3.458 2.108 -1.212) 4.227 3.532 ( -6.639 5.685 -3.080) 9.267 3.577 ( -2.940 7.382 -0.133) 7.947 3.749 ( -3.311 -1.018 -0.587) 3.513 4.044 ( 0.456 -4.136 0.307) 4.173 4.078 ( 0.929 -0.696 -0.593) 1.304 4.207 ( 3.617 -9.979 -0.778) 10.643 4.224 ( 1.510 2.284 1.157) 2.972 4.352 ( 0.188 -8.332 0.829) 8.376 4.971 ( -0.341 -0.749 0.233) 0.856 5.030 ( -1.074 -3.790 -0.619) 3.988 5.296 ( -0.030 1.640 -0.154) 1.647 5.337 ( -2.911 1.043 -0.042) 3.092 5.874 ( -4.312 0.028 1.613) 4.604 5.912 ( 0.720 -2.171 2.601) 3.464 6.217 ( -1.788 2.622 2.385) 3.970 6.285 ( 0.676 -0.641 2.728) 2.883 6.521 ( -4.992 13.486 -3.634) 14.832 6.912 ( 2.410 -5.933 1.491) 6.575 7.240 ( 0.427 -2.391 -2.017) 3.157 7.310 ( 5.214 -6.034 0.789) 8.014 7.746 ( 3.437 4.750 2.281) 6.291 7.904 ( 2.465 -2.030 0.167) 3.198 9.106 ( 0.087 5.941 -0.423) 5.957 9.429 ( 0.570 -10.812 -0.381) 10.833 9.752 ( -0.393 -0.099 0.725) 0.830 9.823 ( 0.372 -2.956 -1.003) 3.143 10.477 ( -0.304 12.147 0.178) 12.152 10.712 ( -0.067 1.196 -0.261) 1.226 10.869 ( -0.392 -1.525 0.087) 1.576 10.926 ( -0.354 -5.930 -0.748) 5.987 14.144 ( -0.191 0.532 -0.150) 0.585 14.165 ( -0.112 -0.475 -0.121) 0.502 ======================= Grid point 17 (12/100) ======================= q-point: ( 0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 1.029 -0.926 0.294) 1.415 0.849 ( 0.320 -4.425 -0.942) 4.536 0.999 ( -1.235 5.057 1.363) 5.381 1.033 ( 4.143 0.908 -0.541) 4.276 1.189 ( 2.787 2.557 -0.453) 3.809 1.303 ( 0.912 2.101 1.245) 2.607 1.360 ( -2.198 3.167 -0.927) 3.965 1.423 ( 0.494 1.737 2.249) 2.884 1.517 ( 2.829 0.214 0.705) 2.924 1.614 ( 2.142 -1.807 -3.517) 4.497 1.655 ( 5.350 1.997 3.728) 6.819 1.761 ( 2.450 -2.019 1.553) 3.534 1.888 ( 0.980 3.502 -2.896) 4.649 1.990 ( 0.135 1.127 -0.612) 1.290 2.122 ( 0.524 3.294 2.333) 4.070 2.142 ( 1.182 4.839 -0.402) 4.997 2.234 ( 2.537 -0.961 2.502) 3.690 2.307 ( -2.061 -0.864 0.857) 2.394 2.331 ( 1.475 -0.916 -1.088) 2.049 2.428 ( -3.394 -3.427 -1.579) 5.075 2.487 ( 0.027 4.782 -1.694) 5.073 2.689 ( 0.698 1.144 2.023) 2.427 2.710 ( -1.386 -1.654 3.252) 3.903 2.807 ( 1.518 2.093 1.755) 3.124 2.876 ( -2.684 -5.555 -3.509) 7.098 3.021 ( 0.323 -1.550 0.237) 1.601 3.322 ( -1.212 4.955 -0.831) 5.168 3.338 ( -1.015 3.624 -0.888) 3.867 3.441 ( -1.397 0.980 0.321) 1.736 3.503 ( -3.216 6.184 -0.847) 7.021 3.702 ( -1.151 1.810 -0.053) 2.145 4.041 ( -0.417 -1.621 0.046) 1.674 4.093 ( 0.608 -0.304 -0.034) 0.680 4.252 ( 0.567 2.623 0.372) 2.710 4.282 ( 4.465 -10.539 -0.330) 11.451 4.342 ( -2.238 -7.795 0.647) 8.136 4.979 ( 0.385 -1.727 0.924) 1.996 5.002 ( -0.787 -3.219 -1.080) 3.485 5.280 ( -1.536 -0.503 0.004) 1.616 5.315 ( 0.156 -2.676 0.054) 2.681 5.822 ( -1.956 2.905 0.448) 3.531 5.935 ( -0.282 -2.694 0.917) 2.860 6.207 ( -0.918 4.205 1.111) 4.445 6.289 ( -0.986 4.681 -0.104) 4.784 6.443 ( -0.825 9.330 -0.603) 9.386 6.912 ( -1.080 -9.706 -0.406) 9.774 7.258 ( 1.644 0.745 -0.012) 1.804 7.423 ( 3.666 -7.116 1.113) 8.082 7.788 ( -0.028 5.821 0.166) 5.823 7.948 ( 1.716 -1.442 0.349) 2.268 9.103 ( -0.023 6.065 -0.140) 6.066 9.433 ( 0.119 -11.068 -0.057) 11.069 9.739 ( -0.713 0.758 -0.123) 1.048 9.818 ( 0.051 -2.979 -0.462) 3.015 10.474 ( -0.126 12.284 0.073) 12.285 10.710 ( 0.036 1.473 -0.097) 1.477 10.866 ( -0.104 -1.858 0.100) 1.864 10.915 ( -0.128 -6.134 -0.325) 6.144 14.140 ( -0.089 0.568 -0.069) 0.579 14.162 ( -0.054 -0.506 -0.056) 0.512 ======================= Grid point 21 (13/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.000 -0.223 0.000) 0.223 0.715 ( 0.000 0.223 0.000) 0.223 0.866 ( 0.000 -7.030 0.000) 7.030 0.866 ( 0.000 7.030 0.000) 7.030 1.142 ( 0.000 -7.874 0.000) 7.874 1.142 ( 0.000 7.874 0.000) 7.874 1.215 ( 0.000 -2.922 0.000) 2.922 1.215 ( 0.000 2.922 0.000) 2.922 1.315 ( 0.000 -1.499 0.000) 1.499 1.315 ( 0.000 1.499 0.000) 1.499 1.617 ( 0.000 -12.650 0.000) 12.650 1.617 ( 0.000 12.650 0.000) 12.650 1.791 ( 0.000 -6.255 0.000) 6.255 1.791 ( 0.000 6.255 0.000) 6.255 2.132 ( 0.000 -4.780 0.000) 4.780 2.132 ( 0.000 4.780 0.000) 4.780 2.278 ( 0.000 -8.408 0.000) 8.408 2.278 ( 0.000 8.408 0.000) 8.408 2.385 ( 0.000 -3.030 0.000) 3.030 2.385 ( 0.000 3.030 0.000) 3.030 2.523 ( 0.000 -5.597 0.000) 5.597 2.523 ( 0.000 5.597 0.000) 5.597 2.861 ( 0.000 -1.658 0.000) 1.658 2.861 ( 0.000 1.658 0.000) 1.658 2.998 ( 0.000 -9.658 0.000) 9.658 2.998 ( 0.000 9.658 0.000) 9.658 3.556 ( 0.000 -0.194 0.000) 0.194 3.556 ( 0.000 0.194 0.000) 0.194 3.762 ( 0.000 -3.631 0.000) 3.631 3.762 ( 0.000 3.631 0.000) 3.631 3.894 ( 0.000 -9.104 0.000) 9.104 3.894 ( 0.000 9.104 0.000) 9.104 4.098 ( 0.000 -0.577 0.000) 0.577 4.098 ( 0.000 0.577 0.000) 0.577 4.145 ( 0.000 -1.472 0.000) 1.472 4.145 ( 0.000 1.472 0.000) 1.472 5.009 ( 0.000 -1.261 0.000) 1.261 5.009 ( 0.000 1.261 0.000) 1.261 5.448 ( 0.000 -8.409 0.000) 8.409 5.448 ( 0.000 8.409 0.000) 8.409 5.909 ( 0.000 -4.218 0.000) 4.218 5.909 ( 0.000 4.218 0.000) 4.218 6.163 ( 0.000 -3.571 0.000) 3.571 6.163 ( 0.000 3.571 0.000) 3.571 6.702 ( 0.000 -2.816 0.000) 2.816 6.702 ( 0.000 2.816 0.000) 2.816 7.330 ( 0.000 -8.177 0.000) 8.177 7.330 ( 0.000 8.177 0.000) 8.177 7.658 ( 0.000 -0.431 0.000) 0.431 7.658 ( 0.000 0.431 0.000) 0.431 9.240 ( 0.000 -8.257 0.000) 8.257 9.240 ( 0.000 8.257 0.000) 8.257 9.743 ( 0.000 -3.344 0.000) 3.344 9.743 ( 0.000 3.344 0.000) 3.344 10.670 ( 0.000 -7.204 0.000) 7.204 10.670 ( 0.000 7.204 0.000) 7.204 10.881 ( 0.000 -1.163 0.000) 1.163 10.881 ( 0.000 1.163 0.000) 1.163 14.160 ( 0.000 -0.512 0.000) 0.512 14.160 ( 0.000 0.512 0.000) 0.512 ======================= Grid point 23 (14/100) ======================= q-point: ( 0.14 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 5.900 -4.115 -5.198) 8.875 0.754 ( 5.900 4.115 -5.198) 8.875 0.880 ( 1.111 -6.025 2.378) 6.571 0.880 ( 1.111 6.025 2.378) 6.571 1.163 ( -0.290 -3.386 -0.737) 3.477 1.163 ( -0.290 3.386 -0.737) 3.477 1.233 ( 4.560 -8.629 2.776) 10.147 1.233 ( 4.560 8.629 2.776) 10.147 1.373 ( 6.334 -3.493 0.597) 7.258 1.373 ( 6.334 3.493 0.597) 7.258 1.698 ( 2.203 -4.453 -2.258) 5.458 1.698 ( 2.203 4.453 -2.258) 5.458 1.830 ( 4.364 -4.798 5.682) 8.623 1.830 ( 4.364 4.798 5.682) 8.623 2.024 ( -5.061 -0.737 -2.384) 5.643 2.024 ( -5.061 0.737 -2.384) 5.643 2.266 ( 1.598 -3.783 -2.505) 4.811 2.266 ( 1.598 3.783 -2.505) 4.811 2.472 ( 1.261 -4.284 0.292) 4.475 2.472 ( 1.261 4.284 0.292) 4.475 2.548 ( 1.480 -3.201 5.341) 6.400 2.548 ( 1.480 3.201 5.341) 6.400 2.816 ( -3.730 -3.479 0.207) 5.105 2.816 ( -3.730 3.479 0.207) 5.105 2.981 ( -1.773 -7.745 -0.607) 7.969 2.981 ( -1.773 7.745 -0.607) 7.969 3.499 ( -4.310 -0.505 -1.833) 4.710 3.499 ( -4.310 0.505 -1.833) 4.710 3.761 ( -0.589 -4.596 -1.452) 4.856 3.761 ( -0.589 4.596 -1.452) 4.856 3.841 ( -3.079 -12.073 -1.222) 12.519 3.841 ( -3.079 12.073 -1.222) 12.519 4.075 ( -0.390 -1.831 0.217) 1.884 4.075 ( -0.390 1.831 0.217) 1.884 4.209 ( 3.037 -2.572 1.899) 4.409 4.209 ( 3.037 2.572 1.899) 4.409 4.997 ( -0.877 -1.589 -0.380) 1.854 4.997 ( -0.877 1.589 -0.380) 1.854 5.408 ( -2.749 -4.871 -2.145) 5.991 5.408 ( -2.749 4.871 -2.145) 5.991 5.881 ( -2.064 -3.172 1.872) 4.222 5.881 ( -2.064 3.172 1.872) 4.222 6.214 ( 1.680 -1.388 3.003) 3.710 6.214 ( 1.680 1.388 3.003) 3.710 6.752 ( 2.944 -3.956 1.239) 5.084 6.752 ( 2.944 3.956 1.239) 5.084 7.248 ( -3.505 -6.431 -3.202) 7.994 7.248 ( -3.505 6.431 -3.202) 7.994 7.741 ( 4.869 -5.088 2.488) 7.469 7.741 ( 4.869 5.088 2.488) 7.469 9.242 ( 0.382 -8.453 -0.363) 8.470 9.242 ( 0.382 8.453 -0.363) 8.470 9.758 ( 1.014 -2.765 0.442) 2.978 9.758 ( 1.014 2.765 0.442) 2.978 10.669 ( -0.128 -7.142 0.116) 7.145 10.669 ( -0.128 7.142 0.116) 7.145 10.870 ( -0.644 -1.016 -0.631) 1.358 10.870 ( -0.644 1.016 -0.631) 1.358 14.158 ( -0.110 -0.534 -0.103) 0.555 14.158 ( -0.110 0.534 -0.103) 0.555 ======================= Grid point 25 (15/100) ======================= q-point: ( 0.29 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 1.374 -4.593 -2.667) 5.486 0.773 ( 1.374 4.593 -2.667) 5.486 0.978 ( 4.833 -3.569 2.042) 6.346 0.978 ( 4.833 3.569 2.042) 6.346 1.188 ( 2.758 -4.944 1.003) 5.749 1.188 ( 2.758 4.944 1.003) 5.749 1.354 ( 4.176 -2.393 3.404) 5.896 1.354 ( 4.176 2.393 3.404) 5.896 1.548 ( 8.466 -4.710 2.407) 9.982 1.548 ( 8.466 4.710 2.407) 9.982 1.627 ( -0.762 -2.880 -7.174) 7.768 1.627 ( -0.762 2.880 -7.174) 7.768 1.916 ( 1.065 -1.360 -0.075) 1.729 1.916 ( 1.065 1.360 -0.075) 1.729 2.069 ( 4.781 -3.991 6.545) 9.035 2.069 ( 4.781 3.991 6.545) 9.035 2.274 ( 1.588 -2.680 -2.344) 3.899 2.274 ( 1.588 2.680 -2.344) 3.899 2.434 ( -2.450 -4.980 -2.877) 6.252 2.434 ( -2.450 4.980 -2.877) 6.252 2.619 ( -1.150 -3.953 5.471) 6.846 2.619 ( -1.150 3.953 5.471) 6.846 2.757 ( -3.290 -4.248 0.716) 5.420 2.757 ( -3.290 4.248 0.716) 5.420 2.939 ( -0.687 -4.782 -1.007) 4.935 2.939 ( -0.687 4.782 -1.007) 4.935 3.404 ( -3.016 -1.244 -1.315) 3.517 3.404 ( -3.016 1.244 -1.315) 3.517 3.648 ( -6.959 -4.413 -3.104) 8.805 3.648 ( -6.959 4.413 -3.104) 8.805 3.841 ( 1.981 -13.959 0.711) 14.117 3.841 ( 1.981 13.959 0.711) 14.117 4.086 ( 0.524 -1.955 0.848) 2.195 4.086 ( 0.524 1.955 0.848) 2.195 4.271 ( 1.775 -2.704 1.019) 3.391 4.271 ( 1.775 2.704 1.019) 3.391 4.978 ( -0.663 -1.579 -0.352) 1.749 4.978 ( -0.663 1.579 -0.352) 1.749 5.330 ( -2.719 -1.518 -1.699) 3.548 5.330 ( -2.719 1.518 -1.699) 3.548 5.882 ( -1.342 -0.936 2.889) 3.320 5.882 ( -1.342 0.936 2.889) 3.320 6.259 ( 0.108 -1.869 2.580) 3.188 6.259 ( 0.108 1.869 2.580) 3.188 6.758 ( -2.303 -10.787 -1.791) 11.175 6.758 ( -2.303 10.787 -1.791) 11.175 7.231 ( 3.561 -1.935 -0.001) 4.053 7.231 ( 3.561 1.935 -0.001) 4.053 7.840 ( 3.178 -4.603 1.563) 5.807 7.840 ( 3.178 4.603 1.563) 5.807 9.244 ( 0.216 -8.740 -0.275) 8.747 9.244 ( 0.216 8.740 -0.275) 8.747 9.773 ( 0.222 -2.104 -0.128) 2.119 9.773 ( 0.222 2.104 -0.128) 2.119 10.669 ( -0.078 -7.205 0.193) 7.208 10.669 ( -0.078 7.205 0.193) 7.208 10.851 ( -0.520 -0.671 -0.639) 1.063 10.851 ( -0.520 0.671 -0.639) 1.063 14.154 ( -0.150 -0.582 -0.136) 0.616 14.154 ( -0.150 0.582 -0.136) 0.616 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.43 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.534 -3.153 -0.626) 3.259 0.773 ( 0.534 3.153 -0.626) 3.259 1.045 ( 1.020 -0.089 0.603) 1.189 1.045 ( 1.020 0.089 0.603) 1.189 1.251 ( 1.814 -4.275 0.715) 4.699 1.251 ( 1.814 4.275 0.715) 4.699 1.433 ( 0.313 -1.979 2.269) 3.027 1.433 ( 0.313 1.979 2.269) 3.027 1.555 ( 1.740 -3.690 -4.095) 5.781 1.555 ( 1.740 3.690 -4.095) 5.781 1.711 ( 3.511 -3.302 2.490) 5.425 1.711 ( 3.511 3.302 2.490) 5.425 1.962 ( 2.946 -3.575 -0.243) 4.639 1.962 ( 2.946 3.575 -0.243) 4.639 2.184 ( 1.973 -2.479 2.271) 3.899 2.184 ( 1.973 2.479 2.271) 3.899 2.258 ( -1.146 -4.390 0.165) 4.540 2.258 ( -1.146 4.390 0.165) 4.540 2.347 ( -2.289 -3.222 -3.553) 5.315 2.347 ( -2.289 3.222 -3.553) 5.315 2.628 ( -1.906 -7.888 2.414) 8.467 2.628 ( -1.906 7.888 2.414) 8.467 2.721 ( -0.559 -3.070 0.069) 3.121 2.721 ( -0.559 3.070 0.069) 3.121 2.944 ( 0.972 -5.738 -0.044) 5.820 2.944 ( 0.972 5.738 -0.044) 5.820 3.367 ( -0.580 -0.779 -0.275) 1.009 3.367 ( -0.580 0.779 -0.275) 1.009 3.511 ( -3.727 -4.692 -1.343) 6.141 3.511 ( -3.727 4.692 -1.343) 6.141 3.885 ( 1.336 -15.083 0.584) 15.153 3.885 ( 1.336 15.083 0.584) 15.153 4.103 ( 0.337 -2.259 0.534) 2.345 4.103 ( 0.337 2.259 0.534) 2.345 4.296 ( 0.409 -2.006 0.174) 2.055 4.296 ( 0.409 2.006 0.174) 2.055 4.966 ( -0.205 -0.610 -0.248) 0.689 4.966 ( -0.205 0.610 -0.248) 0.689 5.281 ( -1.226 -0.884 -0.438) 1.574 5.281 ( -1.226 0.884 -0.438) 1.574 5.879 ( -0.889 -3.126 0.895) 3.371 5.879 ( -0.889 3.126 0.895) 3.371 6.277 ( -0.159 -2.981 1.048) 3.163 6.277 ( -0.159 2.981 1.048) 3.163 6.691 ( -1.691 -13.573 -1.199) 13.731 6.691 ( -1.691 13.573 -1.199) 13.731 7.309 ( 2.626 -4.654 0.614) 5.379 7.309 ( 2.626 4.654 0.614) 5.379 7.890 ( 1.105 -4.563 0.504) 4.722 7.890 ( 1.105 4.563 0.504) 4.722 9.244 ( 0.015 -8.907 -0.067) 8.907 9.244 ( 0.015 8.907 -0.067) 8.907 9.768 ( -0.224 -2.205 -0.273) 2.233 9.768 ( -0.224 2.205 -0.273) 2.233 10.670 ( -0.015 -7.424 0.096) 7.424 10.670 ( -0.015 7.424 0.096) 7.424 10.840 ( -0.146 -0.252 -0.238) 0.376 10.840 ( -0.146 0.252 -0.238) 0.376 14.151 ( -0.071 -0.620 -0.063) 0.627 14.151 ( -0.071 0.620 -0.063) 0.627 ======================= Grid point 49 (17/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( -11.345 0.000 14.983) 18.793 0.422 ( 1.441 0.000 18.448) 18.504 0.638 ( 2.460 0.000 7.327) 7.729 0.667 ( 5.927 0.000 26.728) 27.377 0.913 ( -0.763 0.000 0.377) 0.851 1.104 ( -1.012 0.000 0.739) 1.254 1.108 ( 1.945 0.000 -0.002) 1.945 1.209 ( -2.025 0.000 3.642) 4.167 1.423 ( 2.416 0.000 -1.650) 2.926 1.441 ( -3.291 0.000 0.619) 3.349 1.607 ( -2.893 0.000 -2.992) 4.162 1.822 ( -2.068 0.000 6.508) 6.829 1.824 ( 2.136 0.000 0.088) 2.138 1.892 ( -3.398 0.000 -6.387) 7.235 1.945 ( -5.780 0.000 4.350) 7.234 2.106 ( -0.250 0.000 -4.497) 4.504 2.212 ( -5.059 0.000 -4.976) 7.096 2.319 ( -5.001 0.000 1.502) 5.222 2.364 ( 2.931 0.000 2.852) 4.090 2.467 ( -1.486 0.000 5.791) 5.979 2.488 ( 9.203 0.000 4.128) 10.086 2.548 ( -0.991 0.000 0.535) 1.126 2.723 ( 4.639 0.000 -1.907) 5.016 2.827 ( 0.547 0.000 2.121) 2.191 2.882 ( 2.738 0.000 -2.594) 3.771 3.235 ( 0.655 0.000 -1.653) 1.778 3.410 ( -1.155 0.000 -5.154) 5.282 3.482 ( 2.605 0.000 -1.289) 2.907 3.604 ( -9.181 0.000 -1.451) 9.295 3.650 ( -3.299 0.000 2.761) 4.302 3.853 ( 0.913 0.000 -0.340) 0.974 4.005 ( -5.032 0.000 0.856) 5.105 4.058 ( 1.018 0.000 -1.172) 1.552 4.107 ( 0.154 0.000 -1.710) 1.717 4.146 ( -0.061 0.000 -1.351) 1.352 4.674 ( 3.718 0.000 -8.935) 9.678 4.912 ( 3.845 0.000 5.291) 6.541 5.055 ( -0.043 0.000 0.174) 0.180 5.252 ( -0.029 0.000 -0.904) 0.904 5.473 ( -10.855 0.000 -0.650) 10.874 5.915 ( 1.150 0.000 0.475) 1.244 6.094 ( -2.396 0.000 1.113) 2.642 6.170 ( 11.187 0.000 -2.360) 11.434 6.289 ( 12.170 0.000 -0.713) 12.191 6.421 ( -6.213 0.000 5.523) 8.313 6.772 ( 4.863 0.000 -0.012) 4.863 7.067 ( 6.869 0.000 2.685) 7.376 7.339 ( 1.617 0.000 1.745) 2.379 7.677 ( -3.297 0.000 -4.775) 5.803 7.824 ( 2.685 0.000 -2.276) 3.520 9.062 ( -3.668 0.000 5.756) 6.825 9.566 ( -0.373 0.000 0.515) 0.635 9.800 ( 2.309 0.000 -3.650) 4.319 10.056 ( 2.458 0.000 -5.888) 6.381 10.141 ( -4.589 0.000 7.442) 8.743 10.707 ( -2.414 0.000 2.042) 3.162 10.899 ( 0.132 0.000 -0.118) 0.177 11.038 ( 1.440 0.000 -3.266) 3.569 14.134 ( 0.206 0.000 -0.605) 0.639 14.167 ( 0.454 0.000 -0.944) 1.048 ======================= Grid point 50 (18/100) ======================= q-point: ( 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 10.333 0.000 6.192) 12.046 0.693 ( 7.164 0.000 11.824) 13.825 0.846 ( 8.375 0.000 8.639) 12.032 0.892 ( -1.347 0.000 -0.147) 1.355 1.040 ( -3.256 0.000 0.563) 3.305 1.192 ( 1.183 0.000 8.867) 8.945 1.219 ( 8.294 0.000 1.382) 8.409 1.228 ( 14.068 0.000 8.563) 16.469 1.386 ( -2.607 0.000 0.175) 2.612 1.446 ( 1.814 0.000 -0.691) 1.941 1.579 ( 1.216 0.000 0.729) 1.418 1.750 ( -1.827 0.000 -6.925) 7.162 1.855 ( 0.175 0.000 5.413) 5.416 1.900 ( -3.821 0.000 9.437) 10.182 1.916 ( 5.978 0.000 0.592) 6.007 2.058 ( -6.007 0.000 -1.283) 6.143 2.073 ( 0.074 0.000 -1.082) 1.085 2.258 ( -3.841 0.000 4.734) 6.096 2.368 ( -3.312 0.000 -0.883) 3.428 2.492 ( -1.874 0.000 5.040) 5.377 2.538 ( -1.145 0.000 0.838) 1.418 2.598 ( 2.715 0.000 -2.088) 3.425 2.808 ( 3.914 0.000 1.592) 4.225 2.830 ( -2.009 0.000 0.400) 2.048 2.950 ( 3.887 0.000 -1.345) 4.113 3.213 ( -0.978 0.000 -2.414) 2.604 3.290 ( -12.361 0.000 -0.058) 12.361 3.291 ( -4.167 0.000 -6.456) 7.683 3.497 ( -1.313 0.000 1.145) 1.742 3.607 ( -4.002 0.000 1.406) 4.242 3.829 ( -3.035 0.000 0.356) 3.055 4.075 ( 1.080 0.000 -1.386) 1.757 4.118 ( 1.280 0.000 -2.537) 2.842 4.124 ( 3.176 0.000 -0.218) 3.184 4.129 ( 6.489 0.000 -4.733) 8.031 4.637 ( 3.500 0.000 -8.589) 9.275 5.045 ( -0.982 0.000 0.715) 1.215 5.087 ( 6.157 0.000 4.313) 7.518 5.253 ( 1.552 0.000 1.191) 1.956 5.358 ( -4.475 0.000 2.935) 5.352 5.953 ( 1.710 0.000 1.093) 2.030 6.010 ( -6.777 0.000 -0.102) 6.778 6.251 ( -3.167 0.000 0.712) 3.246 6.289 ( -11.428 0.000 2.447) 11.687 6.318 ( 3.038 0.000 -2.200) 3.751 6.926 ( 9.061 0.000 2.398) 9.373 7.229 ( 5.491 0.000 -1.155) 5.612 7.500 ( 12.590 0.000 0.658) 12.608 7.517 ( -5.702 0.000 -5.024) 7.599 7.841 ( 1.376 0.000 -4.349) 4.562 9.054 ( -3.484 0.000 5.368) 6.400 9.619 ( 4.110 0.000 -1.752) 4.468 9.809 ( 2.757 0.000 -3.838) 4.726 9.998 ( -2.627 0.000 -2.835) 3.865 10.136 ( -4.464 0.000 7.518) 8.743 10.687 ( -1.549 0.000 1.413) 2.097 10.901 ( 0.177 0.000 0.040) 0.181 11.027 ( 1.345 0.000 -3.485) 3.736 14.130 ( 0.073 0.000 -0.643) 0.647 14.165 ( 0.423 0.000 -0.961) 1.050 ======================= Grid point 51 (19/100) ======================= q-point: ( 0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 9.195 0.000 -5.151) 10.540 0.872 ( 3.068 0.000 3.499) 4.654 0.888 ( 0.079 0.000 4.368) 4.368 0.978 ( -1.252 0.000 0.095) 1.255 1.035 ( 2.542 0.000 4.574) 5.233 1.198 ( -3.925 0.000 6.779) 7.833 1.312 ( 1.257 0.000 -3.827) 4.028 1.431 ( 6.702 0.000 4.296) 7.960 1.486 ( 4.024 0.000 0.675) 4.080 1.539 ( 5.872 0.000 4.632) 7.478 1.600 ( 0.544 0.000 -1.053) 1.185 1.708 ( 3.558 0.000 -5.536) 6.581 1.919 ( -2.633 0.000 8.718) 9.107 1.968 ( -1.544 0.000 -0.438) 1.605 1.982 ( 0.169 0.000 -1.208) 1.219 2.106 ( 1.514 0.000 3.478) 3.793 2.183 ( 15.622 0.000 15.987) 22.352 2.275 ( 0.369 0.000 4.413) 4.429 2.285 ( -1.819 0.000 -2.896) 3.420 2.466 ( -4.870 0.000 3.036) 5.739 2.541 ( 0.394 0.000 -0.493) 0.631 2.558 ( -3.092 0.000 -4.734) 5.655 2.774 ( -2.256 0.000 -1.339) 2.624 2.825 ( -4.290 0.000 -0.533) 4.323 2.948 ( 0.045 0.000 -2.010) 2.010 3.105 ( -3.826 0.000 -7.092) 8.059 3.197 ( -1.698 0.000 -0.898) 1.921 3.202 ( 1.206 0.000 -0.213) 1.225 3.460 ( -3.723 0.000 -0.373) 3.742 3.548 ( -4.456 0.000 3.615) 5.738 3.764 ( -4.141 0.000 0.534) 4.175 4.079 ( -1.451 0.000 -1.256) 1.919 4.080 ( 1.303 0.000 -1.483) 1.974 4.178 ( 1.568 0.000 0.842) 1.780 4.201 ( 5.964 0.000 -4.543) 7.497 4.649 ( 6.429 0.000 -7.055) 9.545 5.041 ( -0.574 0.000 0.906) 1.073 5.141 ( 0.254 0.000 -1.239) 1.265 5.316 ( -2.445 0.000 0.362) 2.471 5.370 ( 5.131 0.000 3.641) 6.292 5.853 ( -7.330 0.000 -1.924) 7.578 6.002 ( 0.901 0.000 1.839) 2.048 6.051 ( -11.510 0.000 -0.275) 11.514 6.170 ( -5.254 0.000 0.331) 5.265 6.383 ( 2.603 0.000 -0.054) 2.603 7.079 ( 3.499 0.000 -0.036) 3.499 7.295 ( 1.519 0.000 2.242) 2.708 7.450 ( 3.606 0.000 0.242) 3.614 7.738 ( 12.012 0.000 -1.384) 12.091 7.769 ( -2.799 0.000 -6.623) 7.190 9.047 ( -3.233 0.000 5.304) 6.212 9.660 ( 2.337 0.000 -1.611) 2.838 9.817 ( 2.778 0.000 -4.279) 5.102 9.918 ( -2.629 0.000 -2.439) 3.586 10.135 ( -4.320 0.000 7.849) 8.959 10.678 ( -1.131 0.000 1.459) 1.847 10.906 ( 0.147 0.000 0.173) 0.227 11.017 ( 1.524 0.000 -3.393) 3.719 14.124 ( 0.086 0.000 -0.561) 0.568 14.163 ( 0.438 0.000 -0.906) 1.006 ======================= Grid point 52 (20/100) ======================= q-point: ( 0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 4.282 0.000 -6.952) 8.165 0.897 ( -0.851 0.000 -1.491) 1.717 0.936 ( 0.593 0.000 1.690) 1.791 1.044 ( 4.169 0.000 3.064) 5.173 1.064 ( -1.103 0.000 2.546) 2.774 1.181 ( -6.849 0.000 8.242) 10.716 1.339 ( 3.849 0.000 -0.914) 3.956 1.497 ( -2.323 0.000 -4.959) 5.476 1.514 ( -1.586 0.000 2.482) 2.946 1.602 ( 1.592 0.000 -1.443) 2.149 1.651 ( 0.099 0.000 -2.104) 2.106 1.760 ( 5.837 0.000 1.396) 6.001 1.906 ( -3.705 0.000 3.229) 4.915 1.962 ( -1.880 0.000 6.344) 6.617 1.997 ( -1.251 0.000 6.453) 6.573 2.148 ( -0.085 0.000 -2.388) 2.390 2.251 ( 0.705 0.000 1.249) 1.434 2.342 ( 2.171 0.000 -1.531) 2.656 2.413 ( -6.072 0.000 0.818) 6.127 2.447 ( -1.065 0.000 1.465) 1.811 2.489 ( -1.430 0.000 -3.936) 4.187 2.588 ( 9.692 0.000 6.586) 11.718 2.725 ( -1.165 0.000 -4.482) 4.631 2.730 ( -5.299 0.000 -1.099) 5.411 2.896 ( -1.266 0.000 -2.350) 2.670 3.044 ( 3.083 0.000 0.111) 3.085 3.175 ( -0.122 0.000 -0.182) 0.219 3.219 ( 0.427 0.000 -2.257) 2.297 3.380 ( -1.628 0.000 -1.805) 2.431 3.522 ( -3.247 0.000 4.649) 5.671 3.702 ( -2.461 0.000 0.452) 2.502 4.053 ( -0.086 0.000 -0.588) 0.594 4.092 ( 1.489 0.000 -1.352) 2.011 4.194 ( -0.478 0.000 0.552) 0.730 4.275 ( 5.500 0.000 -0.998) 5.590 4.687 ( 4.963 0.000 -7.665) 9.132 5.034 ( -0.818 0.000 0.110) 0.825 5.132 ( 0.467 0.000 -1.073) 1.170 5.268 ( -1.597 0.000 -2.337) 2.830 5.442 ( -0.027 0.000 -0.273) 0.274 5.747 ( -1.805 0.000 0.269) 1.825 5.917 ( -3.836 0.000 3.745) 5.361 6.012 ( -0.662 0.000 -0.656) 0.932 6.094 ( -2.274 0.000 -0.836) 2.423 6.398 ( 0.115 0.000 -1.692) 1.696 7.080 ( 0.046 0.000 -1.763) 1.763 7.337 ( -0.444 0.000 3.782) 3.808 7.582 ( -0.809 0.000 -2.728) 2.845 7.644 ( 4.350 0.000 -1.364) 4.559 7.872 ( 4.875 0.000 -4.350) 6.534 9.047 ( -2.946 0.000 5.545) 6.279 9.682 ( 1.432 0.000 -0.003) 1.432 9.823 ( 2.689 0.000 -4.210) 4.995 9.862 ( -0.237 0.000 -2.858) 2.868 10.141 ( -4.244 0.000 8.209) 9.241 10.676 ( -0.884 0.000 1.815) 2.019 10.908 ( -0.087 0.000 0.066) 0.110 11.014 ( 1.880 0.000 -3.089) 3.616 14.122 ( 0.251 0.000 -0.410) 0.481 14.163 ( 0.504 0.000 -0.810) 0.954 ======================= Grid point 53 (21/100) ======================= q-point: (-0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 4.045 0.000 -2.987) 5.028 0.817 ( -4.937 0.000 -3.849) 6.260 0.962 ( -1.679 0.000 3.016) 3.452 1.073 ( -3.210 0.000 3.227) 4.552 1.074 ( -5.244 0.000 2.807) 5.949 1.150 ( -3.072 0.000 6.426) 7.123 1.298 ( -5.916 0.000 -9.994) 11.614 1.414 ( 3.298 0.000 2.049) 3.882 1.489 ( -1.298 0.000 -0.916) 1.588 1.532 ( -7.049 0.000 -3.443) 7.845 1.640 ( 1.501 0.000 1.890) 2.414 1.877 ( -3.771 0.000 4.721) 6.042 1.903 ( 6.579 0.000 1.907) 6.850 1.978 ( -5.050 0.000 0.438) 5.069 2.002 ( -5.992 0.000 2.845) 6.633 2.100 ( -0.967 0.000 3.590) 3.718 2.223 ( -6.855 0.000 -1.772) 7.080 2.330 ( -4.712 0.000 -5.151) 6.981 2.338 ( -14.197 0.000 1.172) 14.246 2.342 ( 3.784 0.000 2.201) 4.377 2.498 ( 0.920 0.000 -1.222) 1.530 2.581 ( 0.430 0.000 -0.429) 0.608 2.685 ( 3.273 0.000 -3.779) 5.000 2.691 ( 2.522 0.000 -3.956) 4.691 2.955 ( 3.424 0.000 0.046) 3.424 3.168 ( 5.349 0.000 2.579) 5.938 3.174 ( -0.292 0.000 -2.897) 2.912 3.191 ( 2.953 0.000 0.428) 2.984 3.402 ( 4.564 0.000 -0.283) 4.573 3.523 ( -2.093 0.000 4.681) 5.128 3.698 ( 1.521 0.000 0.372) 1.566 4.065 ( 1.721 0.000 -0.257) 1.740 4.105 ( 1.186 0.000 -0.931) 1.507 4.174 ( -1.927 0.000 0.135) 1.931 4.387 ( 5.003 0.000 3.576) 6.149 4.665 ( 2.751 0.000 -8.721) 9.144 5.016 ( -0.847 0.000 0.072) 0.851 5.138 ( 0.915 0.000 -0.894) 1.279 5.207 ( -1.265 0.000 -4.440) 4.617 5.357 ( -5.935 0.000 -4.219) 7.282 5.793 ( 4.317 0.000 1.802) 4.678 5.982 ( 4.288 0.000 4.770) 6.414 5.983 ( -0.675 0.000 -0.886) 1.114 6.075 ( 1.246 0.000 -0.495) 1.340 6.359 ( -1.281 0.000 -2.860) 3.134 7.053 ( -1.192 0.000 -4.380) 4.539 7.359 ( -1.708 0.000 4.124) 4.464 7.447 ( -2.414 0.000 -3.094) 3.924 7.807 ( 6.784 0.000 1.488) 6.945 7.819 ( -3.544 0.000 -7.243) 8.064 9.054 ( -2.831 0.000 5.887) 6.533 9.724 ( 2.387 0.000 1.037) 2.603 9.826 ( 2.183 0.000 -3.893) 4.463 9.846 ( 1.548 0.000 -2.651) 3.070 10.149 ( -4.398 0.000 8.311) 9.403 10.683 ( -0.626 0.000 1.925) 2.024 10.904 ( -0.217 0.000 -0.137) 0.257 11.021 ( 2.138 0.000 -2.770) 3.499 14.125 ( 0.433 0.000 -0.312) 0.534 14.164 ( 0.560 0.000 -0.754) 0.939 ======================= Grid point 54 (22/100) ======================= q-point: (-0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -11.286 0.000 -2.481) 11.555 0.708 ( -12.658 0.000 1.773) 12.782 0.889 ( -13.560 0.000 -2.201) 13.737 0.897 ( -1.595 0.000 1.351) 2.091 1.089 ( 1.358 0.000 3.754) 3.992 1.145 ( -2.433 0.000 1.682) 2.958 1.226 ( 0.866 0.000 -2.576) 2.717 1.374 ( -4.776 0.000 -1.059) 4.892 1.470 ( -2.427 0.000 -3.866) 4.565 1.496 ( 1.619 0.000 2.460) 2.946 1.521 ( -23.223 0.000 5.841) 23.946 1.772 ( -6.034 0.000 1.662) 6.259 1.870 ( -3.724 0.000 -1.085) 3.879 1.896 ( -2.008 0.000 6.501) 6.804 2.010 ( 0.954 0.000 1.446) 1.732 2.134 ( -0.618 0.000 3.796) 3.846 2.134 ( -2.137 0.000 4.596) 5.069 2.188 ( -0.609 0.000 -6.802) 6.830 2.218 ( -1.029 0.000 1.229) 1.603 2.445 ( 3.098 0.000 2.046) 3.713 2.493 ( -0.142 0.000 0.221) 0.262 2.568 ( -1.243 0.000 -5.291) 5.435 2.689 ( 2.168 0.000 -4.285) 4.803 2.734 ( 3.832 0.000 -1.360) 4.067 2.947 ( 0.055 0.000 -4.798) 4.798 3.210 ( 3.965 0.000 2.318) 4.593 3.211 ( 1.799 0.000 -0.745) 1.947 3.330 ( 6.613 0.000 1.195) 6.720 3.507 ( 5.487 0.000 1.082) 5.592 3.536 ( -1.847 0.000 4.424) 4.794 3.751 ( 3.501 0.000 -0.089) 3.502 4.101 ( 2.503 0.000 -0.723) 2.606 4.111 ( 0.528 0.000 -1.837) 1.911 4.137 ( -2.158 0.000 1.107) 2.425 4.528 ( 4.846 0.000 4.664) 6.726 4.641 ( 4.852 0.000 -8.200) 9.528 5.030 ( 0.475 0.000 5.034) 5.056 5.067 ( -7.201 0.000 -4.915) 8.718 5.127 ( -1.538 0.000 -5.358) 5.575 5.241 ( -0.271 0.000 -1.124) 1.156 5.881 ( 2.940 0.000 -0.537) 2.989 6.001 ( 2.223 0.000 2.425) 3.290 6.046 ( 2.496 0.000 -4.805) 5.415 6.152 ( 3.558 0.000 -0.579) 3.604 6.337 ( 1.078 0.000 3.185) 3.362 6.914 ( -5.473 0.000 -7.271) 9.101 7.359 ( -2.298 0.000 2.952) 3.741 7.487 ( 6.159 0.000 1.499) 6.338 7.618 ( -7.797 0.000 -9.582) 12.354 7.895 ( 2.224 0.000 -0.908) 2.403 9.063 ( -3.121 0.000 6.127) 6.876 9.772 ( 2.497 0.000 -2.532) 3.557 9.819 ( 1.478 0.000 -3.879) 4.151 9.868 ( 2.486 0.000 0.820) 2.618 10.151 ( -4.636 0.000 8.062) 9.300 10.692 ( -0.582 0.000 1.889) 1.977 10.899 ( -0.059 0.000 -0.197) 0.206 11.033 ( 2.119 0.000 -2.630) 3.377 14.130 ( 0.482 0.000 -0.348) 0.595 14.167 ( 0.551 0.000 -0.786) 0.960 ======================= Grid point 55 (23/100) ======================= q-point: (-0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( -13.950 0.000 7.969) 16.066 0.428 ( -17.437 0.000 7.817) 19.109 0.657 ( -9.200 0.000 1.605) 9.339 0.830 ( -26.550 0.000 4.022) 26.853 0.934 ( -6.691 0.000 4.205) 7.902 1.131 ( -2.180 0.000 -1.210) 2.493 1.147 ( -4.517 0.000 -1.280) 4.695 1.190 ( -0.961 0.000 3.785) 3.905 1.375 ( 2.873 0.000 0.011) 2.873 1.499 ( -2.709 0.000 0.539) 2.762 1.614 ( 5.348 0.000 9.997) 11.338 1.736 ( -2.656 0.000 6.702) 7.209 1.825 ( -1.080 0.000 -0.719) 1.298 1.948 ( -0.676 0.000 6.478) 6.514 1.976 ( -1.524 0.000 -2.148) 2.634 2.149 ( 0.115 0.000 9.601) 9.602 2.154 ( 1.871 0.000 -5.911) 6.200 2.236 ( 4.908 0.000 4.529) 6.678 2.265 ( 4.178 0.000 -1.274) 4.368 2.446 ( -4.992 0.000 -3.737) 6.236 2.455 ( -1.894 0.000 1.959) 2.725 2.535 ( 1.321 0.000 2.025) 2.418 2.692 ( 3.137 0.000 -4.221) 5.259 2.785 ( 2.037 0.000 0.725) 2.162 2.907 ( 0.977 0.000 -4.416) 4.522 3.230 ( 1.552 0.000 -1.500) 2.158 3.331 ( 6.254 0.000 4.209) 7.538 3.426 ( 3.478 0.000 -1.761) 3.898 3.551 ( -1.792 0.000 6.176) 6.431 3.605 ( 3.061 0.000 1.495) 3.407 3.812 ( 3.462 0.000 -0.847) 3.564 4.079 ( -1.215 0.000 -1.433) 1.879 4.125 ( -0.475 0.000 -0.351) 0.591 4.133 ( 1.942 0.000 -1.520) 2.466 4.529 ( -6.861 0.000 -16.573) 17.937 4.665 ( 6.301 0.000 -8.059) 10.230 4.898 ( -4.766 0.000 -1.078) 4.886 5.051 ( -0.612 0.000 -0.974) 1.150 5.252 ( 0.922 0.000 -0.426) 1.015 5.281 ( 14.604 0.000 24.926) 28.889 5.900 ( 0.735 0.000 -0.618) 0.960 5.975 ( -3.392 0.000 -8.316) 8.981 6.077 ( 1.828 0.000 2.455) 3.061 6.159 ( 2.669 0.000 -3.250) 4.206 6.431 ( 0.057 0.000 6.261) 6.261 6.770 ( -2.024 0.000 -4.411) 4.853 7.294 ( -10.612 0.000 -11.916) 15.956 7.355 ( -4.690 0.000 -1.645) 4.970 7.637 ( 7.340 0.000 0.468) 7.355 7.872 ( -2.073 0.000 -3.148) 3.769 9.066 ( -3.533 0.000 6.115) 7.063 9.708 ( -4.282 0.000 -8.511) 9.527 9.804 ( 1.516 0.000 -3.861) 4.148 9.975 ( 7.155 0.000 1.379) 7.286 10.148 ( -4.680 0.000 7.678) 8.992 10.705 ( -0.525 0.000 2.876) 2.923 10.898 ( 0.103 0.000 -0.172) 0.201 11.041 ( 1.774 0.000 -2.814) 3.327 14.134 ( 0.380 0.000 -0.479) 0.612 14.168 ( 0.503 0.000 -0.872) 1.006 ======================= Grid point 56 (24/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 0.134 4.968 6.734) 8.369 0.427 ( -7.642 8.516 11.152) 15.978 0.703 ( 2.200 4.082 3.251) 5.663 0.870 ( 6.451 10.749 6.419) 14.084 1.000 ( -1.254 10.345 9.996) 14.440 1.068 ( 0.373 -1.256 0.220) 1.328 1.149 ( 0.486 1.509 0.984) 1.866 1.197 ( -2.899 -0.086 4.755) 5.569 1.410 ( -0.206 -1.768 -0.803) 1.952 1.465 ( -0.411 1.882 0.947) 2.147 1.555 ( -2.211 -4.860 -1.894) 5.665 1.715 ( -0.920 -5.776 6.556) 8.786 1.864 ( -0.488 3.802 0.053) 3.834 1.894 ( -3.184 0.158 -4.436) 5.463 1.986 ( -4.950 0.844 0.731) 5.074 2.115 ( 1.240 -4.662 0.521) 4.852 2.190 ( -2.585 4.612 -0.166) 5.289 2.253 ( -3.232 -2.739 -0.464) 4.262 2.398 ( 5.808 1.618 3.209) 6.830 2.424 ( 3.892 -1.886 1.885) 4.718 2.549 ( 1.271 -0.180 1.346) 1.860 2.562 ( -4.160 4.805 1.994) 6.661 2.705 ( 4.454 -0.953 -0.398) 4.572 2.845 ( 1.682 0.766 -0.543) 1.926 2.881 ( 2.049 0.635 -0.896) 2.325 3.280 ( -0.407 -2.338 -2.198) 3.234 3.433 ( -0.264 3.968 -4.311) 5.865 3.498 ( 1.139 1.427 -1.099) 2.131 3.614 ( -6.165 1.404 -1.221) 6.439 3.676 ( -1.377 2.504 -1.346) 3.159 3.847 ( -2.053 -1.206 -0.241) 2.393 4.007 ( 1.639 0.666 1.049) 2.056 4.079 ( -0.701 0.836 -2.224) 2.477 4.107 ( -1.522 -0.150 -2.354) 2.807 4.146 ( 0.839 0.103 -0.306) 0.899 4.567 ( 2.567 -10.757 -5.472) 12.339 4.956 ( 1.588 2.082 -1.285) 2.917 5.091 ( 1.181 1.431 0.183) 1.865 5.226 ( 0.235 -0.855 -0.861) 1.236 5.512 ( -8.568 2.835 -4.062) 9.896 5.882 ( 1.900 -2.653 0.669) 3.331 6.066 ( -0.963 -1.959 1.909) 2.900 6.152 ( 10.194 -1.850 1.560) 10.477 6.244 ( 4.448 -1.944 2.181) 5.322 6.497 ( -3.559 7.120 3.231) 8.591 6.775 ( 3.708 -0.478 -0.255) 3.747 7.081 ( 2.081 2.117 2.717) 4.024 7.366 ( 1.242 2.477 1.444) 3.125 7.667 ( -3.304 -1.354 -4.794) 5.978 7.793 ( 4.381 -3.171 -1.790) 5.697 9.084 ( -3.421 2.313 4.973) 6.464 9.547 ( -1.943 -3.088 0.187) 3.654 9.772 ( 4.726 -5.811 -2.825) 8.005 9.886 ( -1.617 -4.025 4.004) 5.903 10.279 ( -0.870 8.142 1.061) 8.257 10.722 ( -1.837 1.156 1.665) 2.735 10.889 ( 0.276 -0.961 -0.649) 1.192 11.015 ( 0.695 -2.283 -2.122) 3.194 14.136 ( 0.222 0.257 -0.626) 0.712 14.165 ( 0.437 -0.205 -0.920) 1.039 ======================= Grid point 57 (25/100) ======================= q-point: ( 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 11.178 5.406 1.335) 12.488 0.647 ( 6.650 -2.062 11.822) 13.719 0.816 ( 5.503 -1.014 0.426) 5.611 0.986 ( 0.894 5.194 3.288) 6.212 1.063 ( -0.323 1.373 0.331) 1.448 1.190 ( -1.061 -1.058 5.722) 5.915 1.224 ( 7.496 1.202 2.008) 7.853 1.272 ( 11.838 3.827 6.072) 13.844 1.413 ( -0.322 0.925 2.225) 2.431 1.449 ( -0.600 1.278 -1.949) 2.406 1.556 ( 1.224 -0.689 -0.508) 1.494 1.793 ( -0.136 -5.676 7.814) 9.659 1.808 ( 0.339 3.249 -4.144) 5.277 1.882 ( 2.263 2.997 7.361) 8.264 1.915 ( -1.030 -1.570 0.534) 1.952 2.072 ( -1.364 2.246 -3.821) 4.637 2.175 ( -0.185 6.642 1.654) 6.847 2.230 ( -2.025 -2.228 4.430) 5.357 2.391 ( -3.756 1.868 -1.845) 4.583 2.491 ( -3.060 0.194 4.920) 5.797 2.561 ( -0.615 2.286 1.060) 2.594 2.568 ( 3.269 -2.499 -3.110) 5.157 2.794 ( 3.137 -0.866 2.472) 4.087 2.842 ( -1.605 0.725 0.189) 1.771 2.940 ( 3.719 -0.844 -0.920) 3.923 3.196 ( -5.119 -3.967 -4.586) 7.936 3.342 ( -5.869 3.578 -3.108) 7.544 3.355 ( -7.394 7.991 -2.534) 11.178 3.515 ( -1.685 2.396 1.489) 3.286 3.605 ( -4.373 0.091 0.469) 4.399 3.818 ( -2.237 -1.101 -0.147) 2.498 4.064 ( 1.496 -0.760 -1.261) 2.099 4.084 ( 1.255 -1.983 -0.851) 2.496 4.142 ( 5.565 1.035 -3.204) 6.504 4.158 ( 2.350 1.563 -1.054) 3.013 4.544 ( 2.103 -9.168 -5.395) 10.844 5.006 ( 1.225 -2.073 1.779) 2.994 5.104 ( 0.485 -1.218 -0.388) 1.368 5.243 ( 2.318 0.192 1.781) 2.930 5.376 ( -4.388 1.560 0.935) 4.750 5.937 ( 2.068 -1.275 1.706) 2.969 6.003 ( -6.231 -0.677 0.954) 6.340 6.255 ( -2.314 0.290 0.751) 2.450 6.290 ( 2.924 -1.557 0.488) 3.348 6.388 ( -8.446 8.724 -1.060) 12.189 6.901 ( 7.887 -2.435 2.011) 8.496 7.211 ( 6.487 -1.911 0.015) 6.763 7.405 ( -0.744 -5.144 -1.085) 5.309 7.593 ( 3.960 3.833 -1.705) 5.769 7.842 ( 3.006 -0.295 -4.018) 5.027 9.076 ( -3.143 2.440 4.991) 6.383 9.561 ( 2.438 -5.784 -1.061) 6.366 9.798 ( 1.873 -2.359 -3.614) 4.705 9.897 ( -2.039 -4.490 3.793) 6.222 10.266 ( -1.540 9.278 1.102) 9.469 10.703 ( -1.585 1.467 1.422) 2.586 10.887 ( 0.388 -1.445 -0.784) 1.689 11.003 ( 0.630 -2.393 -2.226) 3.329 14.132 ( 0.097 0.274 -0.663) 0.724 14.163 ( 0.400 -0.220 -0.938) 1.043 ======================= Grid point 58 (26/100) ======================= q-point: ( 0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 9.950 1.784 -6.646) 12.098 0.820 ( 1.108 -3.137 7.601) 8.298 0.880 ( 2.356 -1.080 -0.544) 2.649 0.978 ( -0.436 2.210 1.168) 2.538 1.116 ( 2.089 2.799 0.594) 3.543 1.232 ( -1.939 3.971 6.415) 7.790 1.326 ( 0.036 1.674 -3.557) 3.931 1.443 ( 7.190 0.820 4.490) 8.516 1.478 ( 1.482 -0.210 2.688) 3.077 1.533 ( 8.516 -0.436 4.116) 9.468 1.565 ( 2.374 -2.292 -2.651) 4.232 1.767 ( 1.300 4.589 -3.262) 5.779 1.859 ( -1.518 -4.124 7.590) 8.770 1.940 ( 1.378 -1.479 -1.229) 2.366 2.044 ( 1.664 3.017 0.134) 3.448 2.125 ( 0.712 1.465 4.682) 4.957 2.231 ( 6.004 3.936 9.457) 11.873 2.267 ( 2.728 1.139 2.583) 3.925 2.306 ( -1.162 1.512 0.158) 1.914 2.458 ( -4.516 -0.736 2.040) 5.010 2.516 ( -1.195 -3.496 -5.379) 6.526 2.593 ( 0.894 4.498 1.214) 4.744 2.782 ( -2.857 0.411 -0.825) 3.002 2.816 ( -3.685 -0.550 -0.707) 3.793 2.968 ( 1.626 0.660 -2.309) 2.900 3.043 ( -4.040 -4.750 -5.256) 8.155 3.250 ( -1.150 4.650 -0.499) 4.817 3.259 ( -2.215 5.274 -1.407) 5.891 3.481 ( -3.827 2.552 0.408) 4.618 3.534 ( -4.558 -1.042 3.117) 5.619 3.761 ( -3.665 -0.585 0.140) 3.714 4.066 ( 0.036 -0.578 -1.081) 1.226 4.080 ( 0.328 -0.634 -1.000) 1.229 4.188 ( 2.473 1.362 -0.549) 2.876 4.217 ( 4.613 1.000 -2.683) 5.429 4.554 ( 4.312 -9.364 -4.295) 11.168 5.024 ( -0.272 -1.592 1.194) 2.009 5.089 ( -0.691 -4.502 -1.273) 4.730 5.317 ( -1.367 -0.484 0.017) 1.450 5.342 ( 2.637 -2.130 1.752) 3.816 5.864 ( -6.718 1.190 -1.211) 6.929 5.990 ( -0.024 -1.113 1.830) 2.142 6.151 ( -7.000 7.924 -2.914) 10.967 6.203 ( -5.484 4.204 1.405) 7.051 6.380 ( 2.244 0.189 0.318) 2.274 7.034 ( 3.114 -4.596 -0.183) 5.555 7.267 ( 0.456 -2.348 1.344) 2.744 7.428 ( 6.211 -3.306 0.683) 7.069 7.698 ( 3.510 0.457 -1.940) 4.036 7.839 ( 4.172 3.255 -4.625) 7.027 9.072 ( -2.990 2.624 4.970) 6.366 9.593 ( 2.377 -7.260 -1.513) 7.787 9.770 ( -0.876 -2.297 -2.838) 3.755 9.895 ( -1.424 -2.029 2.544) 3.552 10.251 ( -1.429 9.670 1.459) 9.884 10.695 ( -1.080 1.606 1.573) 2.494 10.887 ( 0.528 -1.918 -0.826) 2.154 10.994 ( 0.781 -2.347 -1.984) 3.171 14.127 ( 0.110 0.299 -0.582) 0.664 14.161 ( 0.415 -0.239 -0.881) 1.003 ======================= Grid point 59 (27/100) ======================= q-point: ( 0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 4.858 2.497 -7.390) 9.189 0.856 ( -1.816 -3.433 2.062) 4.397 0.906 ( 1.384 -1.443 -0.523) 2.067 1.048 ( 3.932 0.466 1.445) 4.215 1.129 ( -0.338 4.381 0.867) 4.479 1.231 ( -4.037 4.473 5.284) 8.014 1.338 ( 2.599 0.034 -0.180) 2.605 1.481 ( -3.941 -0.110 1.369) 4.173 1.539 ( -0.131 0.948 -0.239) 0.986 1.593 ( 2.096 0.029 -1.764) 2.740 1.673 ( 0.288 1.999 -0.982) 2.245 1.803 ( 4.824 3.605 2.735) 6.614 1.894 ( -4.280 -1.151 4.320) 6.189 1.951 ( 1.597 -0.534 6.162) 6.388 2.036 ( -2.616 3.908 0.161) 4.705 2.139 ( 0.884 -0.870 -0.943) 1.557 2.247 ( -0.253 -0.070 0.384) 0.465 2.344 ( 1.676 -0.239 -1.174) 2.060 2.382 ( -5.293 -2.783 -0.775) 6.030 2.427 ( -0.191 -1.818 0.674) 1.948 2.477 ( 2.101 0.729 2.373) 3.252 2.653 ( 2.771 3.548 1.055) 4.624 2.712 ( -4.294 -0.830 -5.061) 6.689 2.737 ( 0.249 0.973 -1.400) 1.723 2.953 ( -0.142 4.097 -2.063) 4.590 2.983 ( 1.952 -5.212 0.013) 5.565 3.219 ( -0.491 4.693 0.726) 4.774 3.260 ( 0.636 3.741 -0.740) 3.867 3.397 ( -2.856 2.436 -1.081) 3.906 3.509 ( -2.796 -1.184 4.361) 5.314 3.704 ( -2.188 -0.099 0.338) 2.217 4.048 ( -0.211 -0.327 -0.494) 0.629 4.092 ( 1.361 -0.027 -0.833) 1.595 4.208 ( -0.029 1.439 -0.103) 1.443 4.282 ( 4.829 0.539 -1.068) 4.975 4.581 ( 2.831 -10.651 -4.997) 12.101 5.020 ( -0.867 -1.615 -0.454) 1.888 5.076 ( 0.324 -4.466 0.082) 4.478 5.272 ( -1.137 -0.302 -2.245) 2.535 5.387 ( -0.010 -4.460 -0.120) 4.462 5.764 ( -2.096 1.987 -0.532) 2.937 5.974 ( -1.448 -0.574 0.315) 1.589 6.056 ( -1.292 8.489 -1.129) 8.661 6.146 ( -1.996 5.560 0.962) 5.985 6.395 ( -0.081 -0.047 -1.289) 1.292 7.033 ( 0.091 -5.016 -1.763) 5.318 7.304 ( -0.180 -2.297 3.281) 4.009 7.564 ( 2.627 -6.848 -1.938) 7.586 7.647 ( 0.864 5.652 -1.753) 5.981 7.903 ( 4.292 1.893 -4.052) 6.199 9.072 ( -2.736 2.629 5.136) 6.385 9.618 ( 1.891 -8.846 -1.245) 9.131 9.729 ( -0.376 -1.233 -1.585) 2.042 9.901 ( -0.640 -0.832 1.985) 2.245 10.244 ( -1.144 9.453 1.839) 9.698 10.695 ( -0.894 1.745 1.860) 2.702 10.887 ( 0.469 -2.122 -0.933) 2.365 10.992 ( 1.075 -2.269 -1.635) 2.996 14.125 ( 0.268 0.314 -0.435) 0.600 14.160 ( 0.487 -0.249 -0.782) 0.954 ======================= Grid point 60 (28/100) ======================= q-point: (-0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 1.231 1.338 -1.775) 2.541 0.821 ( -1.383 0.389 -1.531) 2.100 0.923 ( -0.117 -1.454 0.216) 1.475 1.057 ( -3.536 -1.346 -0.288) 3.795 1.153 ( -1.134 3.948 3.436) 5.355 1.196 ( -4.776 5.474 3.270) 7.967 1.325 ( -6.877 2.186 -5.531) 9.092 1.403 ( 2.874 -0.618 1.975) 3.541 1.505 ( -4.975 2.139 0.622) 5.451 1.565 ( -3.978 2.945 -2.657) 5.617 1.625 ( 1.434 -0.624 1.518) 2.179 1.864 ( -4.479 -2.121 6.170) 7.914 1.940 ( 4.046 2.690 2.783) 5.599 1.958 ( -4.805 -0.126 -3.779) 6.115 2.056 ( -0.113 3.462 4.263) 5.493 2.082 ( -5.015 -0.848 0.443) 5.106 2.205 ( -4.237 -0.706 -0.788) 4.367 2.271 ( -5.449 -1.572 -1.904) 5.982 2.365 ( 2.172 0.811 1.412) 2.714 2.394 ( -4.683 2.500 -0.547) 5.337 2.541 ( -1.400 3.384 -3.540) 5.093 2.574 ( 0.570 -0.676 0.459) 0.996 2.661 ( 2.161 -2.209 -4.402) 5.379 2.714 ( 1.465 2.420 -2.571) 3.823 2.968 ( 1.483 0.153 -2.519) 2.927 3.067 ( 4.797 -5.507 1.310) 7.420 3.241 ( 1.208 5.678 0.970) 5.885 3.275 ( 2.588 5.550 1.088) 6.220 3.405 ( 3.992 0.865 0.164) 4.088 3.518 ( -1.297 -0.239 4.409) 4.602 3.701 ( 1.602 0.194 0.242) 1.632 4.055 ( 1.289 -0.763 -0.341) 1.536 4.107 ( 0.757 -0.082 0.007) 0.762 4.189 ( -1.417 1.556 -0.815) 2.257 4.368 ( 3.335 -1.890 2.267) 4.453 4.550 ( 1.117 -11.518 -6.285) 13.168 4.999 ( -0.600 -1.533 0.128) 1.652 5.090 ( 0.612 -3.654 0.134) 3.708 5.236 ( 0.412 1.754 -3.431) 3.876 5.330 ( -3.932 -1.979 -3.316) 5.511 5.785 ( 3.662 0.024 0.771) 3.743 5.951 ( -0.566 -2.562 -1.744) 3.151 6.072 ( 2.909 5.886 -0.622) 6.596 6.156 ( 1.996 8.075 1.804) 8.512 6.363 ( -0.996 1.221 -1.361) 2.082 7.011 ( -0.723 -4.177 -3.754) 5.663 7.322 ( -1.004 -2.652 3.539) 4.535 7.466 ( -3.545 -0.597 -2.753) 4.528 7.717 ( 0.996 -2.415 -2.350) 3.514 7.895 ( 1.255 2.419 -3.600) 4.515 9.079 ( -2.556 2.615 5.492) 6.598 9.636 ( 1.499 -10.914 -1.289) 11.092 9.733 ( 1.515 0.037 -0.333) 1.552 9.908 ( -0.824 -0.249 1.732) 1.934 10.247 ( -0.935 9.155 2.210) 9.465 10.700 ( -0.760 1.619 1.930) 2.632 10.885 ( 0.395 -1.952 -0.927) 2.197 10.999 ( 1.364 -2.268 -1.430) 3.008 14.128 ( 0.440 0.308 -0.339) 0.635 14.162 ( 0.549 -0.242 -0.722) 0.939 ======================= Grid point 61 (29/100) ======================= q-point: (-0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -8.004 4.531 3.085) 9.701 0.758 ( -9.342 5.209 -2.026) 10.886 0.873 ( -4.040 1.425 -1.162) 4.438 0.942 ( -6.185 1.394 -2.015) 6.653 1.113 ( -2.180 2.017 3.542) 4.622 1.141 ( -2.959 0.300 1.050) 3.154 1.248 ( -1.153 1.579 -0.994) 2.193 1.389 ( -4.085 1.232 -0.306) 4.278 1.474 ( -3.083 -1.382 2.082) 3.968 1.510 ( 0.295 3.431 -3.440) 4.867 1.585 ( -17.404 5.713 5.881) 19.239 1.744 ( -6.654 -3.209 0.234) 7.391 1.821 ( -3.751 -1.159 1.519) 4.209 1.942 ( -1.130 2.190 3.326) 4.139 1.994 ( -0.281 -1.596 1.487) 2.199 2.135 ( -2.958 -3.619 -0.134) 4.676 2.177 ( 3.371 3.809 1.418) 5.281 2.221 ( -1.531 5.954 4.871) 7.843 2.261 ( -0.461 4.194 -5.538) 6.962 2.450 ( 2.753 0.188 1.593) 3.186 2.488 ( -1.631 -0.350 -1.240) 2.078 2.587 ( 0.885 1.885 -4.572) 5.024 2.664 ( 1.565 -2.307 -2.665) 3.857 2.753 ( 3.785 1.812 -1.042) 4.324 2.928 ( -0.295 -1.992 -4.818) 5.222 3.172 ( 4.867 -3.745 1.491) 6.320 3.289 ( 3.662 6.522 0.244) 7.484 3.371 ( 4.906 4.114 1.562) 6.591 3.516 ( 5.823 1.297 1.517) 6.156 3.545 ( -0.801 1.329 4.159) 4.439 3.754 ( 3.490 0.260 -0.025) 3.500 4.076 ( 1.203 -1.936 -0.985) 2.483 4.121 ( 0.222 -0.243 0.664) 0.741 4.146 ( -1.584 1.390 -1.390) 2.525 4.427 ( -0.775 -8.193 2.627) 8.639 4.525 ( 3.572 -11.472 -6.192) 13.517 5.016 ( 0.247 -1.313 3.445) 3.695 5.093 ( 0.132 -2.492 -1.446) 2.884 5.180 ( -0.597 7.636 -5.174) 9.243 5.251 ( 0.064 2.057 -0.185) 2.066 5.858 ( 2.400 -1.930 -1.394) 3.381 5.954 ( 2.706 -3.367 0.755) 4.385 6.095 ( 1.801 3.287 -3.453) 5.096 6.194 ( 1.157 2.169 -4.053) 4.740 6.401 ( 3.376 7.713 5.550) 10.084 6.894 ( -4.910 -1.885 -6.319) 8.221 7.347 ( -2.578 -2.065 2.396) 4.081 7.433 ( 1.203 -5.574 0.640) 5.738 7.603 ( -4.405 1.000 -6.030) 7.534 7.899 ( 0.908 -0.574 -2.498) 2.719 9.090 ( -2.787 2.695 5.758) 6.942 9.654 ( 1.924 -11.703 -0.828) 11.889 9.747 ( -0.211 -1.492 -1.170) 1.907 9.904 ( -1.266 0.005 1.100) 1.677 10.256 ( -0.721 8.986 2.461) 9.344 10.707 ( -0.613 1.448 1.969) 2.520 10.884 ( 0.501 -1.501 -0.733) 1.744 11.010 ( 1.434 -2.266 -1.408) 3.029 14.133 ( 0.484 0.285 -0.376) 0.676 14.165 ( 0.544 -0.223 -0.755) 0.957 ======================= Grid point 62 (30/100) ======================= q-point: (-0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -13.856 10.541 -0.707) 17.424 0.611 ( -10.086 13.328 9.703) 19.326 0.677 ( -7.135 2.208 -1.913) 7.710 0.893 ( -5.029 2.677 -2.847) 6.369 1.027 ( -13.886 9.085 6.404) 17.787 1.111 ( -8.204 1.360 1.498) 8.449 1.146 ( -1.275 -0.123 1.439) 1.927 1.206 ( -3.094 1.111 2.637) 4.214 1.397 ( 1.884 -0.045 -0.066) 1.886 1.495 ( -2.171 -0.323 -0.309) 2.217 1.589 ( 0.717 -2.866 4.045) 5.009 1.688 ( -3.605 -5.167 5.063) 8.082 1.846 ( 1.991 6.140 3.052) 7.140 1.951 ( -0.620 -1.980 -1.410) 2.508 2.018 ( 1.525 0.377 3.990) 4.288 2.046 ( -3.857 -3.150 0.866) 5.055 2.244 ( 0.204 2.878 -2.310) 3.696 2.260 ( 2.953 4.041 0.822) 5.072 2.291 ( 3.564 1.455 1.028) 3.985 2.409 ( -3.437 -2.202 -1.685) 4.416 2.498 ( 1.686 0.641 1.300) 2.223 2.573 ( 0.484 5.261 0.915) 5.362 2.663 ( 2.075 -2.553 -3.279) 4.645 2.813 ( 2.880 2.334 -0.265) 3.716 2.882 ( 0.321 -1.401 -3.349) 3.644 3.263 ( 3.363 -3.515 0.064) 4.865 3.395 ( 7.974 7.184 -1.737) 10.872 3.458 ( 3.561 3.030 -0.475) 4.700 3.582 ( 1.045 3.081 5.308) 6.226 3.620 ( 2.982 2.333 0.796) 3.869 3.821 ( 3.554 0.784 0.150) 3.642 4.057 ( -1.864 -2.857 -1.766) 3.841 4.116 ( 0.105 -0.065 -2.267) 2.270 4.129 ( 0.266 -0.452 0.701) 0.876 4.333 ( -10.613 -9.902 -3.189) 14.861 4.548 ( 4.975 -11.868 -5.048) 13.824 5.012 ( -1.563 1.998 -7.326) 7.753 5.053 ( 1.434 0.320 1.308) 1.967 5.221 ( 1.952 -0.040 -0.909) 2.154 5.415 ( 14.719 8.572 11.480) 20.541 5.862 ( 0.842 -3.160 -1.038) 3.431 5.998 ( -0.633 1.821 -4.286) 4.700 6.067 ( 0.163 -1.225 0.574) 1.363 6.176 ( 2.184 1.256 -2.487) 3.540 6.505 ( -0.082 7.128 4.276) 8.313 6.768 ( -1.490 -0.361 -3.547) 3.864 7.210 ( -11.038 -4.581 -3.744) 12.524 7.382 ( -3.372 2.442 -0.241) 4.170 7.627 ( 6.863 -1.093 0.094) 6.950 7.843 ( -3.007 -3.281 -4.175) 6.102 9.094 ( -3.229 2.568 5.367) 6.769 9.659 ( -5.903 -7.833 -1.767) 9.966 9.705 ( 3.375 -6.585 -1.626) 7.576 9.888 ( -1.633 -0.674 1.441) 2.280 10.271 ( -0.345 8.346 2.143) 8.623 10.721 ( -0.479 1.256 2.307) 2.670 10.888 ( 0.495 -0.995 -0.513) 1.224 11.019 ( 1.125 -2.240 -1.675) 3.015 14.137 ( 0.386 0.263 -0.504) 0.687 14.166 ( 0.492 -0.207 -0.844) 0.998 ======================= Grid point 63 (31/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -0.703 7.091 -4.569) 8.465 0.634 ( -3.379 8.600 2.816) 9.660 0.776 ( -0.273 4.784 -0.575) 4.827 0.986 ( 2.014 3.432 5.310) 6.636 1.074 ( 0.829 1.221 1.302) 1.968 1.136 ( -4.012 0.960 -1.518) 4.396 1.186 ( 0.672 3.848 3.087) 4.979 1.263 ( -1.292 5.052 4.122) 6.647 1.369 ( -0.500 -2.542 0.674) 2.677 1.417 ( 0.059 -9.030 0.599) 9.051 1.512 ( 2.632 4.961 6.827) 8.840 1.684 ( -1.934 1.949 3.058) 4.110 1.837 ( 1.648 -5.093 -0.548) 5.381 1.891 ( 0.771 -4.367 -2.170) 4.937 2.036 ( -5.384 7.915 -0.163) 9.574 2.107 ( -2.211 1.214 0.966) 2.701 2.189 ( -2.446 -1.599 -1.238) 3.174 2.267 ( 0.037 1.016 -1.274) 1.630 2.387 ( 4.370 -1.674 -0.629) 4.722 2.429 ( 4.552 0.168 -0.358) 4.569 2.537 ( 2.592 0.183 5.416) 6.007 2.608 ( -0.639 -0.680 0.719) 1.179 2.763 ( -0.092 7.377 1.035) 7.450 2.854 ( 0.988 0.693 -1.102) 1.634 2.905 ( 0.986 1.609 0.257) 1.905 3.165 ( -0.311 -8.559 -1.833) 8.759 3.504 ( -1.253 2.918 -1.679) 3.592 3.530 ( -0.598 1.572 -1.079) 1.998 3.668 ( -2.561 4.218 -0.623) 4.974 3.740 ( 0.363 4.460 -2.294) 5.028 3.809 ( -2.574 -2.316 -0.800) 3.554 4.012 ( 1.548 -1.570 1.145) 2.484 4.077 ( -1.250 -0.491 -1.713) 2.177 4.102 ( -1.085 -0.318 -2.153) 2.432 4.150 ( 1.700 0.394 0.658) 1.865 4.325 ( 1.491 -12.818 1.066) 12.948 4.978 ( 0.106 0.863 -1.423) 1.667 5.058 ( 0.248 -3.392 0.080) 3.402 5.272 ( 1.370 5.038 -2.342) 5.722 5.508 ( -2.374 -4.097 -5.968) 7.618 5.871 ( -0.094 2.277 2.342) 3.268 6.021 ( -2.227 -3.383 2.535) 4.778 6.141 ( 6.929 1.166 2.904) 7.603 6.217 ( 3.040 -1.557 0.620) 3.471 6.631 ( -0.158 6.073 0.812) 6.129 6.753 ( 2.498 -1.653 0.495) 3.037 7.164 ( -2.963 6.763 0.872) 7.435 7.399 ( -1.837 -0.468 0.039) 1.896 7.632 ( -1.121 -1.422 -3.874) 4.276 7.719 ( 6.900 -4.152 -0.472) 8.067 9.149 ( -2.539 4.743 3.685) 6.521 9.421 ( -1.278 -8.900 0.546) 9.008 9.722 ( 1.465 1.110 1.853) 2.610 9.836 ( -1.782 -3.103 2.774) 4.528 10.449 ( 1.697 9.644 -2.835) 10.194 10.720 ( 0.636 -2.464 -1.512) 2.959 10.877 ( -0.695 0.371 0.204) 0.814 10.962 ( -1.004 -3.062 0.659) 3.289 14.143 ( 0.265 0.427 -0.686) 0.850 14.160 ( 0.389 -0.375 -0.855) 1.012 ======================= Grid point 64 (32/100) ======================= q-point: ( 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 9.273 3.009 -0.686) 9.773 0.712 ( 6.109 6.097 3.925) 9.482 0.799 ( 1.823 0.843 0.023) 2.009 1.047 ( 0.391 -3.762 1.123) 3.946 1.069 ( -0.106 4.106 -0.041) 4.108 1.176 ( 4.931 -0.610 2.783) 5.694 1.266 ( 5.001 3.208 4.510) 7.460 1.325 ( 7.224 2.460 0.927) 7.688 1.385 ( 1.215 -2.688 3.708) 4.738 1.472 ( 2.995 -0.851 -3.211) 4.473 1.583 ( -2.035 2.589 -0.984) 3.437 1.686 ( -1.283 -4.191 5.616) 7.124 1.873 ( -0.164 1.250 -3.389) 3.615 1.883 ( 2.102 0.037 0.055) 2.103 1.971 ( 2.050 5.838 7.585) 9.789 2.121 ( 2.226 1.207 -2.110) 3.296 2.187 ( -0.250 -0.669 4.932) 4.983 2.259 ( 0.080 1.175 1.003) 1.547 2.393 ( 0.223 -1.148 -2.407) 2.676 2.499 ( 1.516 -3.715 -3.773) 5.507 2.566 ( -5.067 7.073 1.750) 8.875 2.630 ( 1.598 4.097 4.053) 5.980 2.789 ( 0.893 0.554 2.378) 2.600 2.844 ( -1.284 -0.515 0.006) 1.384 2.926 ( 1.175 -0.458 -0.290) 1.294 3.084 ( -4.643 -7.554 -4.393) 9.895 3.413 ( -5.519 3.671 -1.972) 6.916 3.461 ( -3.749 2.173 -1.323) 4.531 3.624 ( -2.367 8.653 1.448) 9.088 3.633 ( -5.755 4.044 -2.188) 7.366 3.785 ( -1.050 -2.515 -1.318) 3.028 4.024 ( 0.446 -5.647 -0.646) 5.701 4.060 ( 0.794 0.415 -0.395) 0.979 4.133 ( 3.840 -2.543 -0.853) 4.684 4.193 ( 2.199 2.328 0.014) 3.202 4.350 ( 0.550 -9.217 0.395) 9.242 4.982 ( 0.165 -0.482 0.673) 0.844 5.045 ( -1.059 -3.727 -0.732) 3.943 5.274 ( 1.180 2.853 -1.041) 3.258 5.388 ( -3.669 -0.995 -3.024) 4.858 5.924 ( 1.204 0.279 3.576) 3.784 5.983 ( -4.676 -1.565 2.466) 5.513 6.258 ( -0.053 -0.044 0.926) 0.928 6.267 ( 3.851 -0.703 1.138) 4.077 6.581 ( -4.810 10.538 -2.942) 11.951 6.843 ( 5.492 -3.743 0.722) 6.686 7.180 ( 3.743 -0.533 1.474) 4.058 7.307 ( -4.514 -5.524 -1.747) 7.344 7.670 ( 5.494 4.522 -0.525) 7.135 7.818 ( 5.095 -2.367 -2.587) 6.185 9.146 ( -2.250 4.991 3.897) 6.720 9.418 ( 0.294 -8.693 0.232) 8.701 9.763 ( 0.627 -0.169 0.814) 1.041 9.840 ( -1.390 -2.821 3.091) 4.409 10.448 ( 1.468 9.863 -2.895) 10.383 10.714 ( 0.360 -1.675 -1.092) 2.031 10.861 ( -0.599 -0.339 -0.515) 0.859 10.948 ( -1.162 -3.260 0.722) 3.535 14.139 ( 0.162 0.455 -0.718) 0.866 14.157 ( 0.337 -0.401 -0.877) 1.022 ======================= Grid point 65 (33/100) ======================= q-point: ( 0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 4.867 -0.007 -1.841) 5.203 0.818 ( 0.623 -1.723 -0.127) 1.836 0.855 ( 4.999 3.325 0.594) 6.033 1.050 ( -0.553 0.985 -1.335) 1.749 1.111 ( 4.771 1.463 0.735) 5.044 1.278 ( 2.792 -0.860 1.153) 3.141 1.393 ( -1.948 4.937 -3.885) 6.578 1.451 ( 5.409 0.534 5.019) 7.398 1.484 ( 4.206 -0.271 6.640) 7.865 1.525 ( 3.815 -1.710 -2.583) 4.915 1.555 ( 6.378 3.416 3.812) 8.178 1.773 ( 0.243 -5.262 6.925) 8.700 1.838 ( 1.634 2.509 -1.561) 3.376 1.921 ( 4.653 -0.656 -1.365) 4.893 2.113 ( 1.474 4.684 -2.454) 5.489 2.151 ( 1.521 1.592 3.468) 4.108 2.239 ( -0.002 -0.464 3.600) 3.630 2.297 ( 1.118 -0.731 2.874) 3.169 2.362 ( -1.432 0.634 0.403) 1.617 2.434 ( -1.970 -4.470 -5.298) 7.206 2.498 ( -1.989 8.055 1.027) 8.360 2.690 ( 1.346 4.794 2.164) 5.430 2.774 ( -3.597 -0.932 -0.130) 3.718 2.823 ( -1.542 0.646 0.538) 1.756 2.894 ( -3.676 -6.543 -4.565) 8.785 2.986 ( 1.328 -2.916 -2.636) 4.149 3.333 ( -1.461 4.280 -0.114) 4.524 3.381 ( -3.777 5.297 -0.668) 6.540 3.513 ( -4.980 1.359 1.400) 5.349 3.591 ( -4.625 7.203 1.486) 8.688 3.738 ( -2.182 -0.960 -0.232) 2.395 4.041 ( 1.165 -4.166 -0.533) 4.359 4.069 ( 1.073 0.794 -0.482) 1.419 4.200 ( 3.775 -4.290 -0.090) 5.715 4.228 ( 1.909 2.608 -0.647) 3.296 4.360 ( 0.318 -8.334 -0.206) 8.343 4.990 ( -0.216 -1.755 1.234) 2.156 5.010 ( -1.339 -3.318 -1.225) 3.782 5.296 ( 0.851 -1.119 -0.053) 1.407 5.311 ( -1.771 -1.438 -2.134) 3.124 5.893 ( -5.140 1.781 0.120) 5.441 5.963 ( -1.300 -1.744 1.831) 2.844 6.234 ( -1.796 2.911 -1.238) 3.638 6.301 ( -0.432 0.926 -1.146) 1.535 6.470 ( -2.796 11.389 -0.609) 11.743 6.909 ( 1.077 -8.770 -1.522) 8.966 7.234 ( 1.373 -0.626 1.628) 2.220 7.337 ( 5.917 -5.331 1.538) 8.111 7.754 ( 3.309 4.348 -1.501) 5.666 7.867 ( 4.607 -0.325 -3.505) 5.798 9.145 ( -2.268 5.199 3.893) 6.880 9.427 ( 0.440 -9.313 -0.051) 9.323 9.759 ( -1.134 0.762 0.020) 1.366 9.846 ( -1.474 -3.057 3.114) 4.606 10.443 ( 1.364 10.266 -2.911) 10.758 10.713 ( 0.464 -1.186 -0.657) 1.433 10.849 ( -0.042 -1.014 -0.698) 1.231 10.938 ( -0.925 -3.388 1.107) 3.682 14.135 ( 0.176 0.497 -0.642) 0.831 14.154 ( 0.353 -0.437 -0.815) 0.990 ======================= Grid point 66 (34/100) ======================= q-point: ( 0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 1.597 -0.391 -0.255) 1.664 0.833 ( 1.697 -1.161 -0.986) 2.280 0.892 ( 1.453 2.150 -2.740) 3.774 1.040 ( 1.985 -2.110 -3.401) 4.468 1.201 ( 2.337 3.532 2.035) 4.699 1.309 ( -0.051 1.012 -0.132) 1.022 1.347 ( 0.402 3.331 0.410) 3.380 1.499 ( -3.562 -0.850 0.680) 3.725 1.546 ( 0.101 3.109 4.925) 5.825 1.626 ( 2.383 2.409 0.722) 3.465 1.695 ( 1.758 -0.021 0.925) 1.987 1.798 ( -1.758 -3.973 3.709) 5.712 1.924 ( 2.326 3.030 4.788) 6.125 1.969 ( 1.502 2.476 -0.960) 3.051 2.103 ( -0.513 2.244 -3.667) 4.330 2.155 ( 1.790 4.153 1.099) 4.654 2.253 ( -1.128 0.133 0.060) 1.138 2.313 ( -2.570 -2.636 -0.054) 3.682 2.337 ( 0.056 -2.177 -1.711) 2.770 2.382 ( 1.597 -3.297 0.959) 3.787 2.519 ( 0.088 3.719 2.511) 4.488 2.658 ( -2.105 -1.450 -4.605) 5.267 2.697 ( -3.365 -0.160 -4.285) 5.451 2.810 ( 0.725 4.107 -0.831) 4.252 2.858 ( 1.803 -5.768 1.634) 6.261 2.991 ( 1.459 -1.379 -2.805) 3.450 3.327 ( -0.428 5.141 1.071) 5.269 3.336 ( -0.377 4.211 0.648) 4.277 3.465 ( -3.031 0.877 1.721) 3.594 3.520 ( -2.991 4.638 2.685) 6.137 3.710 ( -1.438 3.168 0.837) 3.578 4.038 ( -0.205 -1.416 -0.327) 1.467 4.091 ( 0.924 0.122 -0.155) 0.945 4.244 ( 0.671 2.174 -1.021) 2.494 4.269 ( 4.021 -5.253 -0.987) 6.688 4.345 ( -1.774 -9.929 -0.593) 10.103 4.979 ( -0.451 -2.003 -0.888) 2.237 5.005 ( 0.186 -2.837 1.461) 3.196 5.258 ( -0.430 -0.667 -1.901) 2.060 5.309 ( 0.265 -3.502 -0.650) 3.571 5.815 ( -2.116 3.215 -1.007) 3.978 5.936 ( -1.496 -2.751 -0.858) 3.247 6.184 ( -0.663 4.864 -2.783) 5.643 6.274 ( -0.081 3.205 -1.679) 3.619 6.451 ( -0.631 8.951 1.332) 9.072 6.894 ( 0.333 -9.670 -1.280) 9.760 7.283 ( 0.266 0.431 2.356) 2.410 7.430 ( 1.977 -6.778 -0.473) 7.076 7.762 ( 1.196 6.071 -2.520) 6.682 7.912 ( 3.241 -1.097 -3.656) 5.007 9.145 ( -2.099 5.193 3.877) 6.812 9.431 ( 0.242 -9.812 -0.228) 9.818 9.743 ( -0.615 1.819 0.701) 2.044 9.854 ( -1.366 -3.417 3.527) 5.097 10.439 ( 1.473 10.478 -2.878) 10.966 10.715 ( 0.431 -1.184 -0.575) 1.385 10.845 ( 0.274 -1.121 -0.495) 1.256 10.937 ( -0.622 -3.384 1.408) 3.717 14.133 ( 0.314 0.522 -0.504) 0.791 14.153 ( 0.441 -0.456 -0.705) 0.948 ======================= Grid point 67 (35/100) ======================= q-point: (-0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -1.946 0.873 3.445) 4.052 0.860 ( 2.999 1.564 -2.409) 4.152 0.897 ( 0.818 -0.268 0.024) 0.861 1.020 ( -0.674 -2.813 -4.101) 5.018 1.216 ( -2.920 2.708 1.960) 4.439 1.285 ( -2.496 2.187 -0.172) 3.323 1.362 ( -4.456 2.486 0.724) 5.154 1.411 ( -2.163 1.150 0.148) 2.454 1.559 ( -5.403 2.977 -2.459) 6.641 1.616 ( 0.978 3.173 7.181) 7.911 1.658 ( -3.330 3.070 -3.004) 5.434 1.791 ( -3.481 -5.129 5.381) 8.208 1.945 ( -2.223 -0.782 -0.731) 2.468 1.968 ( -2.001 -0.713 -1.653) 2.692 2.088 ( -2.438 2.428 0.081) 3.442 2.124 ( -4.572 1.823 -1.751) 5.224 2.223 ( -0.045 3.113 1.802) 3.597 2.286 ( 0.086 2.511 0.551) 2.572 2.369 ( 1.148 0.040 0.061) 1.150 2.429 ( 2.303 1.156 0.269) 2.591 2.534 ( -1.039 -2.768 -2.781) 4.059 2.584 ( 2.036 -2.927 -4.614) 5.831 2.625 ( 1.059 2.695 -3.073) 4.223 2.782 ( -1.328 2.756 -0.539) 3.107 2.904 ( 1.540 -4.533 -1.725) 5.089 3.002 ( 2.527 -2.763 -0.569) 3.787 3.351 ( 0.757 3.918 1.575) 4.291 3.361 ( 2.253 2.990 0.927) 3.857 3.468 ( 2.343 5.062 3.090) 6.377 3.551 ( 1.444 5.261 3.862) 6.684 3.706 ( 0.914 1.567 0.033) 1.815 4.037 ( 0.302 -1.741 -0.343) 1.799 4.098 ( -0.248 -0.713 0.595) 0.961 4.228 ( -0.751 2.253 -1.855) 3.013 4.275 ( -2.803 -15.390 -1.461) 15.711 4.326 ( 1.682 -2.884 -0.705) 3.412 4.975 ( -0.121 -0.709 0.786) 1.065 5.024 ( 0.349 -3.164 1.034) 3.347 5.260 ( 2.271 0.994 -1.616) 2.959 5.301 ( 0.431 -1.184 -1.461) 1.929 5.801 ( 1.805 1.531 -1.354) 2.726 5.897 ( -0.718 -3.105 -2.667) 4.155 6.162 ( 1.119 4.045 -2.617) 4.946 6.253 ( 0.319 0.396 -3.651) 3.686 6.485 ( 2.375 11.875 3.259) 12.541 6.900 ( 1.122 -7.755 -1.877) 8.058 7.285 ( -1.921 -0.803 2.549) 3.291 7.393 ( -3.784 -5.583 -1.446) 6.898 7.751 ( -0.273 4.556 -3.392) 5.687 7.901 ( 0.532 -1.636 -3.942) 4.301 9.151 ( -1.856 5.062 4.175) 6.819 9.435 ( 0.313 -9.989 -0.010) 9.994 9.750 ( -0.007 1.801 1.159) 2.142 9.866 ( -1.611 -3.435 3.666) 5.276 10.438 ( 1.656 10.393 -2.798) 10.890 10.716 ( 0.408 -1.523 -0.777) 1.758 10.848 ( 0.429 -0.688 -0.000) 0.810 10.944 ( -0.293 -3.366 1.488) 3.692 14.136 ( 0.460 0.510 -0.416) 0.803 14.155 ( 0.523 -0.444 -0.638) 0.937 ======================= Grid point 68 (36/100) ======================= q-point: (-0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -3.737 4.896 6.757) 9.143 0.845 ( -4.026 3.535 -3.307) 6.296 0.913 ( 0.199 0.581 1.322) 1.457 0.940 ( -3.551 -1.482 -1.788) 4.243 1.167 ( -3.901 2.452 2.851) 5.419 1.178 ( -7.061 5.537 -1.347) 9.073 1.263 ( -3.853 -0.224 1.549) 4.159 1.389 ( -2.971 -2.275 0.258) 3.751 1.458 ( -4.734 0.613 0.813) 4.843 1.561 ( -3.190 -0.272 -4.054) 5.166 1.680 ( -2.887 0.784 2.004) 3.601 1.718 ( -13.783 6.353 1.940) 15.300 1.855 ( -1.168 2.579 2.508) 3.782 1.936 ( 0.145 -4.027 -2.210) 4.596 1.962 ( -1.027 0.138 2.663) 2.857 2.062 ( -4.922 -3.183 -0.556) 5.888 2.256 ( 1.492 3.541 1.218) 4.031 2.323 ( -0.410 2.001 -6.179) 6.507 2.342 ( 1.694 6.022 4.363) 7.627 2.460 ( 1.148 0.861 -2.941) 3.273 2.479 ( -1.044 -0.263 -2.085) 2.347 2.592 ( 2.609 -3.933 -4.012) 6.194 2.651 ( 2.409 3.724 -0.003) 4.435 2.797 ( 2.404 1.539 0.494) 2.897 2.886 ( 0.288 -1.090 -2.973) 3.180 3.072 ( 4.353 -6.438 0.579) 7.793 3.402 ( 3.506 4.066 1.536) 5.585 3.431 ( 3.940 1.372 1.323) 4.377 3.592 ( 4.234 7.702 2.389) 9.108 3.615 ( 2.630 6.709 3.236) 7.900 3.755 ( 3.856 -0.518 0.168) 3.894 4.030 ( -0.527 -3.409 -0.882) 3.561 4.100 ( -0.666 -1.697 1.546) 2.391 4.182 ( -1.408 1.673 -2.675) 3.456 4.228 ( -1.221 -13.868 0.658) 13.937 4.319 ( -0.946 -6.552 -2.349) 7.025 4.990 ( 0.282 -0.992 1.987) 2.239 5.033 ( -0.005 -3.180 -0.346) 3.199 5.281 ( 1.757 4.081 -2.893) 5.302 5.332 ( 4.894 4.028 1.001) 6.417 5.823 ( 1.059 -1.333 -2.892) 3.356 5.885 ( 3.086 -3.769 0.130) 4.873 6.151 ( 0.575 2.624 -3.618) 4.506 6.209 ( -0.118 -0.196 -3.916) 3.923 6.593 ( 4.106 10.918 3.095) 12.069 6.848 ( -3.157 -3.109 -4.372) 6.225 7.280 ( -5.243 -3.498 0.954) 6.374 7.334 ( 1.793 -4.686 3.685) 6.225 7.667 ( -2.917 5.090 -4.847) 7.610 7.858 ( -1.145 -3.680 -4.077) 5.611 9.161 ( -2.144 4.872 4.385) 6.896 9.442 ( 0.101 -10.318 0.581) 10.335 9.746 ( -1.670 1.511 0.366) 2.282 9.866 ( -2.191 -3.420 2.932) 5.009 10.441 ( 1.794 10.099 -2.736) 10.616 10.716 ( 0.697 -1.993 -1.045) 2.356 10.861 ( 0.526 0.024 0.617) 0.811 10.956 ( -0.089 -3.263 1.415) 3.557 14.140 ( 0.491 0.471 -0.452) 0.817 14.159 ( 0.526 -0.409 -0.671) 0.946 ======================= Grid point 69 (37/100) ======================= q-point: (-0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -7.632 6.549 -5.094) 11.273 0.763 ( -7.818 7.255 1.445) 10.763 0.818 ( -6.851 5.451 4.719) 9.946 0.923 ( 0.304 3.212 1.026) 3.386 1.080 ( -3.302 0.601 1.687) 3.756 1.163 ( -1.327 2.751 2.847) 4.175 1.217 ( -2.164 0.105 1.119) 2.439 1.304 ( -11.029 10.613 1.484) 15.378 1.370 ( -0.748 -2.655 0.978) 2.927 1.458 ( -3.763 -7.544 0.110) 8.432 1.492 ( -4.930 0.538 1.505) 5.183 1.680 ( -1.273 3.761 3.007) 4.981 1.850 ( -2.709 -8.118 -4.415) 9.630 1.912 ( -0.970 -5.184 0.435) 5.292 2.018 ( 4.154 8.371 4.202) 10.246 2.084 ( 1.597 2.355 5.488) 6.182 2.258 ( 0.187 0.413 -1.889) 1.943 2.303 ( 2.729 0.552 -3.674) 4.610 2.343 ( -5.706 0.223 -4.185) 7.079 2.419 ( 1.073 5.312 1.704) 5.681 2.457 ( -0.045 -4.443 -0.298) 4.453 2.604 ( 1.647 -3.625 -1.826) 4.380 2.709 ( 3.475 7.845 1.225) 8.667 2.861 ( 2.528 -0.870 -0.249) 2.685 2.867 ( 0.710 3.600 -0.956) 3.791 3.147 ( 3.068 -8.065 -0.409) 8.638 3.492 ( 3.791 2.921 -0.401) 4.802 3.510 ( 2.815 2.178 0.420) 3.584 3.657 ( 2.418 6.371 2.464) 7.247 3.702 ( 2.993 4.921 -0.983) 5.844 3.829 ( 2.501 -0.248 1.212) 2.790 3.998 ( -1.371 -2.663 -1.056) 3.176 4.110 ( 0.265 -1.487 1.018) 1.821 4.127 ( -1.266 0.602 -2.217) 2.624 4.206 ( -5.012 -5.191 0.373) 7.226 4.281 ( 2.025 -13.786 -1.356) 13.999 5.005 ( -0.613 -0.896 -1.302) 1.695 5.034 ( 1.425 -2.057 0.481) 2.548 5.274 ( 1.483 5.295 -3.321) 6.424 5.490 ( 8.028 -1.463 0.360) 8.168 5.830 ( 2.456 1.043 1.145) 2.904 5.979 ( 3.862 -3.900 2.768) 6.147 6.087 ( -2.322 3.428 -3.618) 5.498 6.184 ( 1.059 -0.635 -2.240) 2.558 6.642 ( -1.059 6.082 0.321) 6.182 6.753 ( -1.675 -1.226 -2.160) 2.996 7.204 ( -3.497 4.033 2.297) 5.811 7.411 ( -0.122 -0.838 1.966) 2.141 7.611 ( 3.212 0.331 -1.928) 3.760 7.757 ( -4.233 -5.345 -5.241) 8.600 9.160 ( -2.688 4.635 3.935) 6.647 9.443 ( -1.222 -10.697 0.906) 10.805 9.709 ( -1.735 2.615 0.454) 3.171 9.849 ( -2.422 -3.479 2.404) 4.873 10.446 ( 1.820 9.786 -2.758) 10.329 10.720 ( 1.002 -2.522 -1.370) 3.040 10.876 ( 0.123 0.516 0.858) 1.009 10.966 ( -0.383 -3.092 1.072) 3.295 14.143 ( 0.403 0.434 -0.573) 0.824 14.160 ( 0.465 -0.378 -0.769) 0.975 ======================= Grid point 70 (38/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -0.568 -5.391 -4.949) 7.340 0.633 ( -0.568 5.391 -4.949) 7.340 0.927 ( -2.211 -8.236 4.300) 9.550 0.927 ( -2.211 8.236 4.300) 9.550 1.156 ( -0.610 -3.051 -1.792) 3.591 1.156 ( -0.610 3.051 -1.792) 3.591 1.237 ( -1.506 -5.659 4.376) 7.311 1.237 ( -1.506 5.659 4.376) 7.311 1.325 ( -0.139 -2.375 0.831) 2.520 1.325 ( -0.139 2.375 0.831) 2.520 1.659 ( 2.474 -7.759 3.109) 8.717 1.659 ( 2.474 7.759 3.109) 8.717 1.801 ( 2.062 -4.182 0.954) 4.759 1.801 ( 2.062 4.182 0.954) 4.759 2.123 ( -6.662 -1.349 -0.885) 6.854 2.123 ( -6.662 1.349 -0.885) 6.854 2.223 ( 0.289 -5.440 -2.107) 5.841 2.223 ( 0.289 5.440 -2.107) 5.841 2.392 ( 5.590 -2.406 -1.688) 6.316 2.392 ( 5.590 2.406 -1.688) 6.316 2.574 ( 1.856 -2.524 4.907) 5.822 2.574 ( 1.856 2.524 4.907) 5.822 2.863 ( -0.657 -0.937 -0.072) 1.147 2.863 ( -0.657 0.937 -0.072) 1.147 2.990 ( 0.081 -8.849 -1.006) 8.906 2.990 ( 0.081 8.849 -1.006) 8.906 3.540 ( -1.267 -0.731 -1.270) 1.937 3.540 ( -1.267 0.731 -1.270) 1.937 3.743 ( -0.173 -3.365 -1.741) 3.793 3.743 ( -0.173 3.365 -1.741) 3.793 3.892 ( -2.105 -9.599 0.080) 9.828 3.892 ( -2.105 9.599 0.080) 9.828 4.088 ( -1.256 -1.183 -0.957) 1.973 4.088 ( -1.256 1.183 -0.957) 1.973 4.175 ( 2.698 -3.143 2.490) 4.833 4.175 ( 2.698 3.143 2.490) 4.833 5.003 ( -0.186 -2.078 -0.447) 2.134 5.003 ( -0.186 2.078 -0.447) 2.134 5.391 ( 0.773 -7.136 -4.310) 8.372 5.391 ( 0.773 7.136 -4.310) 8.372 5.943 ( -1.580 -4.541 2.877) 5.603 5.943 ( -1.580 4.541 2.877) 5.603 6.179 ( 4.159 -2.354 1.036) 4.890 6.179 ( 4.159 2.354 1.036) 4.890 6.712 ( 1.670 -2.895 0.642) 3.403 6.712 ( 1.670 2.895 0.642) 3.403 7.313 ( -5.276 -7.839 -1.347) 9.545 7.313 ( -5.276 7.839 -1.347) 9.545 7.650 ( 5.166 -2.965 -0.898) 6.023 7.650 ( 5.166 2.965 -0.898) 6.023 9.264 ( -1.504 -7.397 2.070) 7.827 9.264 ( -1.504 7.397 2.070) 7.827 9.771 ( -0.888 -3.470 2.744) 4.512 9.771 ( -0.888 3.470 2.744) 4.512 10.618 ( 2.511 -7.827 -4.321) 9.287 10.618 ( 2.511 7.827 -4.321) 9.287 10.908 ( -1.827 -2.535 1.939) 3.678 10.908 ( -1.827 2.535 1.939) 3.678 14.151 ( 0.326 -0.463 -0.769) 0.955 14.151 ( 0.326 0.463 -0.769) 0.955 ======================= Grid point 72 (39/100) ======================= q-point: ( 0.14 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 6.471 -4.788 -1.103) 8.125 0.681 ( 6.471 4.788 -1.103) 8.125 0.930 ( -0.739 -8.218 2.374) 8.586 0.930 ( -0.739 8.218 2.374) 8.586 1.141 ( 3.480 -3.215 -1.145) 4.874 1.141 ( 3.480 3.215 -1.145) 4.874 1.326 ( 2.813 -2.957 3.932) 5.667 1.326 ( 2.813 2.957 3.932) 5.667 1.405 ( 7.711 -5.125 2.263) 9.532 1.405 ( 7.711 5.125 2.263) 9.532 1.630 ( -4.146 -2.520 -1.414) 5.054 1.630 ( -4.146 2.520 -1.414) 5.054 1.884 ( 2.040 -1.030 -1.742) 2.873 1.884 ( 2.040 1.030 -1.742) 2.873 2.077 ( 1.884 -4.756 5.878) 7.792 2.077 ( 1.884 4.756 5.878) 7.792 2.225 ( 1.035 -3.383 -0.634) 3.594 2.225 ( 1.035 3.383 -0.634) 3.594 2.421 ( 0.630 -3.852 -2.802) 4.805 2.421 ( 0.630 3.852 -2.802) 4.805 2.669 ( 1.045 -1.517 4.584) 4.940 2.669 ( 1.045 1.517 4.584) 4.940 2.821 ( -2.606 -2.234 -0.172) 3.437 2.821 ( -2.606 2.234 -0.172) 3.437 2.951 ( -2.220 -4.649 -2.345) 5.660 2.951 ( -2.220 4.649 -2.345) 5.660 3.463 ( -4.315 -1.453 -1.110) 4.686 3.463 ( -4.315 1.453 -1.110) 4.686 3.715 ( -2.164 -4.391 -2.480) 5.488 3.715 ( -2.164 4.391 -2.480) 5.488 3.841 ( -1.843 -12.219 1.035) 12.400 3.841 ( -1.843 12.219 1.035) 12.400 4.082 ( 0.894 -2.003 0.156) 2.199 4.082 ( 0.894 2.003 0.156) 2.199 4.243 ( 2.072 -3.271 1.330) 4.094 4.243 ( 2.072 3.271 1.330) 4.094 4.992 ( -0.762 -1.694 -0.069) 1.859 4.992 ( -0.762 1.694 -0.069) 1.859 5.339 ( -1.182 -3.645 -3.581) 5.245 5.339 ( -1.182 3.645 -3.581) 5.245 5.948 ( -1.919 -1.921 3.778) 4.653 5.948 ( -1.919 1.921 3.778) 4.653 6.259 ( 2.332 -0.248 1.064) 2.575 6.259 ( 2.332 0.248 1.064) 2.575 6.748 ( 1.110 -6.858 -1.793) 7.175 6.748 ( 1.110 6.858 -1.793) 7.175 7.211 ( -2.008 -3.927 -0.055) 4.411 7.211 ( -2.008 3.927 -0.055) 4.411 7.755 ( 5.934 -4.198 -1.115) 7.353 7.755 ( 5.934 4.198 -1.115) 7.353 9.263 ( -1.060 -7.430 2.179) 7.815 9.263 ( -1.060 7.430 2.179) 7.815 9.788 ( -0.662 -2.396 2.392) 3.450 9.788 ( -0.662 2.396 2.392) 3.450 10.619 ( 2.457 -7.799 -4.300) 9.239 10.619 ( 2.457 7.799 -4.300) 9.239 10.889 ( -2.105 -2.749 1.855) 3.928 10.889 ( -2.105 2.749 1.855) 3.928 14.148 ( 0.250 -0.494 -0.796) 0.970 14.148 ( 0.250 0.494 -0.796) 0.970 ======================= Grid point 74 (40/100) ======================= q-point: ( 0.29 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 2.018 -3.208 0.033) 3.790 0.753 ( 2.018 3.208 0.033) 3.790 0.966 ( 2.941 -6.315 -1.890) 7.218 0.966 ( 2.941 6.315 -1.890) 7.218 1.213 ( 3.446 -5.571 0.272) 6.556 1.213 ( 3.446 5.571 0.272) 6.556 1.460 ( 5.395 -0.819 2.196) 5.882 1.460 ( 5.395 0.819 2.196) 5.882 1.484 ( 0.766 -2.033 0.016) 2.172 1.484 ( 0.766 2.033 0.016) 2.172 1.658 ( 4.382 -6.482 5.934) 9.820 1.658 ( 4.382 6.482 5.934) 9.820 1.888 ( 2.906 -2.751 -1.672) 4.337 1.888 ( 2.906 2.751 -1.672) 4.337 2.177 ( 2.607 -0.436 -0.237) 2.654 2.177 ( 2.607 0.436 -0.237) 2.654 2.252 ( 0.984 -2.971 2.498) 4.004 2.252 ( 0.984 2.971 2.498) 4.004 2.368 ( -3.386 -2.052 -2.413) 4.637 2.368 ( -3.386 2.052 -2.413) 4.637 2.691 ( -1.803 -9.809 1.196) 10.045 2.691 ( -1.803 9.809 1.196) 10.045 2.756 ( -3.546 -0.846 -0.930) 3.762 2.756 ( -3.546 0.846 -0.930) 3.762 2.908 ( 0.942 -4.652 -1.853) 5.095 2.908 ( 0.942 4.652 -1.853) 5.095 3.397 ( -2.374 -2.220 0.733) 3.332 3.397 ( -2.374 2.220 0.733) 3.332 3.598 ( -6.265 -5.446 -1.443) 8.426 3.598 ( -6.265 5.446 -1.443) 8.426 3.871 ( 1.749 -12.695 2.039) 12.976 3.871 ( 1.749 12.695 2.039) 12.976 4.105 ( 0.728 -3.306 0.748) 3.466 4.105 ( 0.728 3.306 0.748) 3.466 4.278 ( 1.105 -2.625 -0.217) 2.856 4.278 ( 1.105 2.625 -0.217) 2.856 4.974 ( -0.863 -0.443 -0.014) 0.970 4.974 ( -0.863 0.443 -0.014) 0.970 5.290 ( -0.933 -0.542 -2.007) 2.279 5.290 ( -0.933 0.542 -2.007) 2.279 5.928 ( -3.151 -1.901 1.305) 3.905 5.928 ( -3.151 1.901 1.305) 3.905 6.281 ( 0.069 -2.050 -0.788) 2.197 6.281 ( 0.069 2.050 -0.788) 2.197 6.708 ( -1.649 -12.384 -2.292) 12.702 6.708 ( -1.649 12.384 -2.292) 12.702 7.256 ( 3.766 -2.974 2.116) 5.245 7.256 ( 3.766 2.974 2.116) 5.245 7.831 ( 4.182 -3.362 -2.315) 5.844 7.831 ( 4.182 3.362 -2.315) 5.844 9.266 ( -1.107 -7.621 2.076) 7.976 9.266 ( -1.107 7.621 2.076) 7.976 9.791 ( -1.317 -2.515 1.939) 3.438 9.791 ( -1.317 2.515 1.939) 3.438 10.619 ( 2.422 -7.965 -4.273) 9.358 10.619 ( 2.422 7.965 -4.273) 9.358 10.875 ( -1.707 -3.006 2.237) 4.118 10.875 ( -1.707 3.006 2.237) 4.118 14.145 ( 0.265 -0.540 -0.727) 0.943 14.145 ( 0.265 0.540 -0.727) 0.943 ======================= Grid point 76 (41/100) ======================= q-point: ( 0.43 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 1.023 -2.357 1.329) 2.893 0.786 ( 1.023 2.357 1.329) 2.893 0.971 ( 2.272 -4.657 -5.263) 7.386 0.971 ( 2.272 4.657 -5.263) 7.386 1.268 ( 1.198 -3.425 1.355) 3.873 1.268 ( 1.198 3.425 1.355) 3.873 1.443 ( -0.332 -4.540 -1.181) 4.703 1.443 ( -0.332 4.540 -1.181) 4.703 1.626 ( 1.209 -3.375 7.933) 8.705 1.626 ( 1.209 3.375 7.933) 8.705 1.717 ( -0.756 -3.665 -1.232) 3.940 1.717 ( -0.756 3.665 -1.232) 3.940 1.971 ( 3.209 -2.106 0.777) 3.916 1.971 ( 3.209 2.106 0.777) 3.916 2.188 ( 0.674 -5.234 -0.990) 5.369 2.188 ( 0.674 5.234 -0.990) 5.369 2.254 ( -2.068 -4.174 -2.449) 5.262 2.254 ( -2.068 4.174 -2.449) 5.262 2.326 ( 2.050 -1.961 2.654) 3.885 2.326 ( 2.050 1.961 2.654) 3.885 2.605 ( -3.417 -4.496 -4.294) 7.094 2.605 ( -3.417 4.496 -4.294) 7.094 2.731 ( -0.881 -4.276 0.771) 4.433 2.731 ( -0.881 4.276 0.771) 4.433 2.923 ( 1.918 -5.100 -1.773) 5.730 2.923 ( 1.918 5.100 -1.773) 5.730 3.379 ( -0.980 -1.223 1.213) 1.982 3.379 ( -0.980 1.223 1.213) 1.982 3.509 ( -2.093 -4.378 1.157) 4.989 3.509 ( -2.093 4.378 1.157) 4.989 3.907 ( -0.354 -13.550 1.453) 13.632 3.907 ( -0.354 13.550 1.453) 13.632 4.115 ( -0.648 -3.503 0.535) 3.602 4.115 ( -0.648 3.503 0.535) 3.602 4.285 ( 0.664 -1.893 -1.187) 2.331 4.285 ( 0.664 1.893 -1.187) 2.331 4.968 ( 0.013 -0.900 0.509) 1.034 4.968 ( 0.013 0.900 0.509) 1.034 5.262 ( 0.132 -1.348 -1.316) 1.889 5.262 ( 0.132 1.348 -1.316) 1.889 5.878 ( -1.888 -3.319 -1.016) 3.951 5.878 ( -1.888 3.319 -1.016) 3.951 6.258 ( -0.208 -2.979 -2.683) 4.015 6.258 ( -0.208 2.979 -2.683) 4.015 6.679 ( 0.207 -12.827 0.077) 12.829 6.679 ( 0.207 12.827 0.077) 12.829 7.326 ( 0.943 -4.080 1.025) 4.311 7.326 ( 0.943 4.080 1.025) 4.311 7.861 ( 2.147 -4.244 -3.170) 5.715 7.861 ( 2.147 4.244 -3.170) 5.715 9.266 ( -1.065 -7.686 1.902) 7.989 9.266 ( -1.065 7.686 1.902) 7.989 9.790 ( -1.103 -3.140 2.446) 4.131 9.790 ( -1.103 3.140 2.446) 4.131 10.618 ( 2.351 -8.164 -4.274) 9.510 10.618 ( 2.351 8.164 -4.274) 9.510 10.873 ( -1.309 -3.142 2.576) 4.269 10.873 ( -1.309 3.142 2.576) 4.269 14.144 ( 0.377 -0.565 -0.603) 0.908 14.144 ( 0.377 0.565 -0.603) 0.908 ======================= Grid point 78 (42/100) ======================= q-point: (-0.43 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -0.078 -3.025 3.775) 4.838 0.820 ( -0.078 3.025 3.775) 4.838 0.955 ( 1.451 -3.903 -4.955) 6.473 0.955 ( 1.451 3.903 -4.955) 6.473 1.266 ( -3.171 -2.587 1.656) 4.415 1.266 ( -3.171 2.587 1.656) 4.415 1.413 ( -3.224 -1.439 0.021) 3.530 1.413 ( -3.224 1.439 0.021) 3.530 1.630 ( -4.182 -3.698 -3.415) 6.544 1.630 ( -4.182 3.698 -3.415) 6.544 1.707 ( -0.420 -3.185 7.137) 7.826 1.707 ( -0.420 3.185 7.137) 7.826 1.945 ( -3.342 -1.122 -2.359) 4.242 1.945 ( -3.342 1.122 -2.359) 4.242 2.127 ( -5.016 -1.206 -1.940) 5.512 2.127 ( -5.016 1.206 -1.940) 5.512 2.292 ( 2.676 -2.839 2.388) 4.574 2.292 ( 2.676 2.839 2.388) 4.574 2.406 ( 2.675 -3.840 1.767) 5.002 2.406 ( 2.675 3.840 1.767) 5.002 2.520 ( 1.424 -2.498 -7.224) 7.775 2.520 ( 1.424 2.498 -7.224) 7.775 2.718 ( 0.071 -6.250 -0.361) 6.261 2.718 ( 0.071 6.250 -0.361) 6.261 2.931 ( 0.808 -4.486 -1.009) 4.668 2.931 ( 0.808 4.486 -1.009) 4.668 3.383 ( 0.512 -0.688 0.963) 1.289 3.383 ( 0.512 0.688 0.963) 1.289 3.563 ( 4.825 -4.382 3.456) 7.377 3.563 ( 4.825 4.382 3.456) 7.377 3.885 ( -2.763 -14.707 0.523) 14.973 3.885 ( -2.763 14.707 0.523) 14.973 4.096 ( -1.199 -1.600 0.036) 2.000 4.096 ( -1.199 1.600 0.036) 2.000 4.277 ( -0.223 -2.562 -1.635) 3.047 4.277 ( -0.223 2.562 -1.635) 3.047 4.980 ( 0.029 -1.347 1.137) 1.763 4.980 ( 0.029 1.347 1.137) 1.763 5.280 ( 2.919 -1.129 -0.513) 3.171 5.280 ( 2.919 1.129 -0.513) 3.171 5.841 ( -0.067 -2.686 -2.718) 3.821 5.841 ( -0.067 2.686 -2.718) 3.821 6.225 ( 0.211 -2.643 -3.446) 4.348 6.225 ( 0.211 2.643 -3.446) 4.348 6.717 ( 2.867 -11.631 0.958) 12.017 6.717 ( 2.867 11.631 0.958) 12.017 7.306 ( -3.369 -3.109 0.533) 4.615 7.306 ( -3.369 3.109 0.533) 4.615 7.841 ( -0.193 -4.431 -4.014) 5.982 7.841 ( -0.193 4.431 -4.014) 5.982 9.269 ( -0.853 -7.565 2.098) 7.897 9.269 ( -0.853 7.565 2.098) 7.897 9.799 ( -1.105 -3.309 2.759) 4.448 9.799 ( -1.105 3.309 2.759) 4.448 10.616 ( 2.323 -8.146 -4.265) 9.484 10.616 ( 2.323 8.146 -4.265) 9.484 10.880 ( -0.951 -3.148 2.771) 4.300 10.880 ( -0.951 3.148 2.771) 4.300 14.146 ( 0.490 -0.551 -0.525) 0.905 14.146 ( 0.490 0.551 -0.525) 0.905 ======================= Grid point 80 (43/100) ======================= q-point: (-0.29 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -0.570 -4.430 6.507) 7.892 0.870 ( -0.570 4.430 6.507) 7.892 0.900 ( -2.688 -2.433 -3.489) 5.032 0.900 ( -2.688 2.433 -3.489) 5.032 1.219 ( -3.301 -2.494 2.564) 4.868 1.219 ( -3.301 2.494 2.564) 4.868 1.311 ( -6.363 -5.637 -0.810) 8.539 1.311 ( -6.363 5.637 -0.810) 8.539 1.499 ( -6.920 -3.644 -1.561) 7.975 1.499 ( -6.920 3.644 -1.561) 7.975 1.760 ( -0.718 -4.572 1.470) 4.856 1.760 ( -0.718 4.572 1.470) 4.856 1.873 ( -4.934 -3.173 -0.869) 5.930 1.873 ( -4.934 3.173 -0.869) 5.930 2.002 ( -1.835 -3.637 0.449) 4.099 2.002 ( -1.835 3.637 0.449) 4.099 2.311 ( -1.145 -2.337 -0.515) 2.652 2.311 ( -1.145 2.337 -0.515) 2.652 2.444 ( 1.516 -3.250 -2.238) 4.227 2.444 ( 1.516 3.250 -2.238) 4.227 2.507 ( 1.853 -3.564 -3.272) 5.181 2.507 ( 1.853 3.564 -3.272) 5.181 2.746 ( 3.044 -5.306 -0.118) 6.119 2.746 ( 3.044 5.306 -0.118) 6.119 2.949 ( 1.865 -6.146 0.079) 6.423 2.949 ( 1.865 6.146 0.079) 6.423 3.437 ( 3.783 -0.489 1.526) 4.108 3.437 ( 3.783 0.489 1.526) 4.108 3.709 ( 5.871 -4.058 2.076) 7.433 3.709 ( 5.871 4.058 2.076) 7.433 3.846 ( -1.524 -14.960 1.459) 15.108 3.846 ( -1.524 14.960 1.459) 15.108 4.078 ( -0.860 -0.554 0.252) 1.054 4.078 ( -0.860 0.554 0.252) 1.054 4.236 ( -1.910 -3.184 -2.172) 4.301 4.236 ( -1.910 3.184 -2.172) 4.301 4.991 ( 0.123 -1.173 0.837) 1.446 4.991 ( 0.123 1.173 0.837) 1.446 5.347 ( 4.132 -2.194 -0.471) 4.702 5.347 ( 4.132 2.194 -0.471) 4.702 5.827 ( 1.923 -1.951 -1.797) 3.276 5.827 ( 1.923 1.951 -1.797) 3.276 6.192 ( 0.016 -1.611 -3.473) 3.828 6.192 ( 0.016 1.611 -3.473) 3.828 6.763 ( 0.679 -6.613 -1.245) 6.763 6.763 ( 0.679 6.613 -1.245) 6.763 7.264 ( -1.463 -2.007 3.131) 3.997 7.264 ( -1.463 2.007 3.131) 3.997 7.770 ( -2.418 -5.441 -4.811) 7.655 7.770 ( -2.418 5.441 -4.811) 7.655 9.275 ( -1.156 -7.461 2.343) 7.905 9.275 ( -1.156 7.461 2.343) 7.905 9.797 ( -2.160 -3.552 2.233) 4.719 9.797 ( -2.160 3.552 2.233) 4.719 10.615 ( 2.431 -7.986 -4.248) 9.366 10.615 ( 2.431 7.986 -4.248) 9.366 10.896 ( -0.647 -2.986 2.834) 4.167 10.896 ( -0.647 2.986 2.834) 4.167 14.150 ( 0.506 -0.508 -0.560) 0.909 14.150 ( 0.506 0.508 -0.560) 0.909 ======================= Grid point 82 (44/100) ======================= q-point: (-0.14 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -6.273 -4.153 -4.152) 8.593 0.773 ( -6.273 4.153 -4.152) 8.593 0.922 ( -2.289 -5.273 6.031) 8.332 0.922 ( -2.289 5.273 6.031) 8.332 1.167 ( -3.737 -5.691 1.284) 6.928 1.167 ( -3.737 5.691 1.284) 6.928 1.253 ( -0.888 -6.657 2.959) 7.339 1.253 ( -0.888 6.657 2.959) 7.339 1.376 ( -5.284 -1.071 0.581) 5.422 1.376 ( -5.284 1.071 0.581) 5.422 1.648 ( -5.573 -10.904 -2.917) 12.588 1.648 ( -5.573 10.904 -2.917) 12.588 1.798 ( -0.864 -5.980 0.119) 6.043 1.798 ( -0.864 5.980 0.119) 6.043 2.113 ( 4.620 -0.365 5.631) 7.293 2.113 ( 4.620 0.365 5.631) 7.293 2.286 ( 0.475 -2.551 -2.659) 3.715 2.286 ( 0.475 2.551 -2.659) 3.715 2.367 ( -3.635 -3.448 -5.060) 7.121 2.367 ( -3.635 3.448 -5.060) 7.121 2.524 ( 1.155 -4.972 0.704) 5.153 2.524 ( 1.155 4.972 0.704) 5.153 2.822 ( 4.039 -3.638 0.649) 5.475 2.822 ( 4.039 3.638 0.649) 5.475 2.984 ( 1.353 -8.509 -0.287) 8.621 2.984 ( 1.353 8.509 -0.287) 8.621 3.523 ( 3.269 -0.645 0.377) 3.353 3.523 ( 3.269 0.645 0.377) 3.353 3.763 ( 0.293 -2.020 -1.223) 2.379 3.763 ( 0.293 2.020 -1.223) 2.379 3.885 ( 1.540 -10.045 2.426) 10.448 3.885 ( 1.540 10.045 2.426) 10.448 4.084 ( 1.082 -0.416 1.338) 1.770 4.084 ( 1.082 0.416 1.338) 1.770 4.169 ( -2.576 -1.949 -1.762) 3.680 4.169 ( -2.576 1.949 -1.762) 3.680 5.003 ( 0.480 -0.850 0.101) 0.981 5.003 ( 0.480 0.850 0.101) 0.981 5.395 ( 2.901 -6.932 -3.163) 8.153 5.395 ( 2.901 6.932 -3.163) 8.153 5.893 ( 3.743 -4.681 2.751) 6.595 5.893 ( 3.743 4.681 2.751) 6.595 6.151 ( -0.339 -2.844 -2.693) 3.931 6.151 ( -0.339 2.844 -2.693) 3.931 6.719 ( -1.987 -2.559 -1.398) 3.529 6.719 ( -1.987 2.559 -1.398) 3.529 7.325 ( 2.083 -7.202 3.830) 8.419 7.325 ( 2.083 7.202 3.830) 8.419 7.661 ( -2.768 -4.489 -4.769) 7.111 7.661 ( -2.768 4.489 -4.769) 7.111 9.273 ( -1.711 -7.484 2.195) 7.984 9.273 ( -1.711 7.484 2.195) 7.984 9.774 ( -2.277 -4.091 2.204) 5.175 9.774 ( -2.277 4.091 2.204) 5.175 10.617 ( 2.549 -7.889 -4.276) 9.328 10.617 ( 2.549 7.889 -4.276) 9.328 10.911 ( -0.964 -2.671 2.503) 3.785 10.911 ( -0.964 2.671 2.503) 3.785 14.152 ( 0.431 -0.469 -0.669) 0.924 14.152 ( 0.431 0.469 -0.669) 0.924 ======================= Grid point 98 (45/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -10.792 0.000 8.110) 13.500 0.696 ( 4.312 0.000 7.870) 8.974 0.861 ( 1.121 0.000 12.112) 12.164 0.892 ( 2.700 0.000 4.696) 5.416 1.096 ( 4.515 0.000 -0.968) 4.618 1.100 ( 6.730 0.000 6.780) 9.553 1.154 ( -5.585 0.000 4.788) 7.357 1.332 ( -4.101 0.000 5.988) 7.257 1.384 ( 2.441 0.000 -1.772) 3.017 1.456 ( -3.875 0.000 0.461) 3.902 1.602 ( -1.651 0.000 4.539) 4.830 1.751 ( -4.038 0.000 -5.098) 6.504 1.828 ( 2.605 0.000 -0.872) 2.747 1.876 ( -1.751 0.000 -2.389) 2.962 2.050 ( 1.222 0.000 -0.366) 1.276 2.098 ( -5.955 0.000 9.308) 11.050 2.183 ( -5.607 0.000 3.484) 6.601 2.379 ( 0.026 0.000 3.542) 3.542 2.379 ( 0.824 0.000 -0.648) 1.048 2.512 ( 1.530 0.000 -1.211) 1.951 2.542 ( -1.049 0.000 -1.551) 1.873 2.608 ( -1.759 0.000 6.272) 6.514 2.701 ( 7.223 0.000 0.211) 7.226 2.834 ( 6.997 0.000 -0.661) 7.028 2.859 ( -0.846 0.000 0.367) 0.922 3.192 ( -0.181 0.000 -3.410) 3.415 3.280 ( -0.796 0.000 -5.621) 5.677 3.427 ( 1.948 0.000 -3.842) 4.307 3.588 ( -7.227 0.000 0.553) 7.248 3.741 ( -8.249 0.000 5.388) 9.853 3.850 ( 1.536 0.000 -0.013) 1.536 4.004 ( 3.137 0.000 -4.331) 5.348 4.023 ( -1.920 0.000 1.026) 2.177 4.071 ( 0.721 0.000 -1.450) 1.620 4.111 ( -0.084 0.000 -1.840) 1.842 4.431 ( 6.404 0.000 -13.249) 14.715 5.033 ( 4.498 0.000 5.033) 6.751 5.059 ( -0.057 0.000 0.269) 0.275 5.242 ( 0.787 0.000 0.732) 1.075 5.450 ( -4.107 0.000 -1.699) 4.445 5.937 ( 1.283 0.000 1.909) 2.299 6.124 ( -4.246 0.000 1.731) 4.585 6.126 ( 11.436 0.000 -2.028) 11.615 6.257 ( 3.268 0.000 -2.198) 3.938 6.548 ( -10.519 0.000 6.177) 12.198 6.765 ( 8.857 0.000 -0.823) 8.895 7.142 ( 1.541 0.000 4.458) 4.717 7.400 ( 2.899 0.000 4.171) 5.079 7.549 ( -4.477 0.000 -7.175) 8.457 7.753 ( 2.726 0.000 -4.541) 5.296 9.216 ( -5.710 0.000 8.552) 10.283 9.573 ( -0.051 0.000 -0.164) 0.172 9.736 ( 1.548 0.000 -2.230) 2.715 9.905 ( 5.565 0.000 -7.961) 9.713 10.320 ( -5.676 0.000 9.452) 11.025 10.744 ( -1.782 0.000 0.831) 1.966 10.894 ( 0.513 0.000 -0.413) 0.658 10.946 ( 1.989 0.000 -5.053) 5.430 14.119 ( 0.190 0.000 -0.659) 0.685 14.143 ( 0.636 0.000 -1.278) 1.428 ======================= Grid point 99 (46/100) ======================= q-point: ( 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.715 0.000 3.272) 3.350 0.845 ( 3.859 0.000 3.333) 5.099 0.935 ( 0.027 0.000 2.690) 2.690 1.017 ( 4.379 0.000 4.978) 6.630 1.047 ( -6.074 0.000 1.544) 6.268 1.234 ( 6.213 0.000 0.859) 6.272 1.329 ( -0.944 0.000 6.302) 6.372 1.360 ( 7.869 0.000 2.010) 8.121 1.385 ( -0.989 0.000 -0.019) 0.989 1.456 ( 6.313 0.000 0.162) 6.315 1.623 ( -1.819 0.000 3.055) 3.556 1.643 ( -1.219 0.000 -1.356) 1.823 1.884 ( 5.208 0.000 -2.451) 5.756 1.910 ( 4.912 0.000 -1.330) 5.089 2.089 ( -4.511 0.000 8.817) 9.904 2.096 ( 2.583 0.000 3.365) 4.242 2.202 ( -0.001 0.000 10.812) 10.812 2.328 ( -4.424 0.000 -2.460) 5.062 2.388 ( -2.456 0.000 4.054) 4.740 2.511 ( 0.880 0.000 -2.349) 2.508 2.519 ( 1.035 0.000 0.037) 1.036 2.600 ( -5.116 0.000 3.219) 6.045 2.801 ( -2.988 0.000 -2.925) 4.181 2.828 ( 4.555 0.000 0.978) 4.659 2.932 ( 1.670 0.000 -0.128) 1.675 3.083 ( -2.858 0.000 -9.227) 9.660 3.229 ( -2.169 0.000 0.014) 2.169 3.268 ( -9.602 0.000 -1.878) 9.784 3.523 ( -2.177 0.000 2.251) 3.132 3.674 ( -4.860 0.000 4.333) 6.511 3.828 ( -2.240 0.000 -0.935) 2.427 4.037 ( 1.651 0.000 -2.127) 2.692 4.066 ( 3.889 0.000 -0.989) 4.013 4.085 ( -0.806 0.000 -1.798) 1.970 4.119 ( 5.344 0.000 0.027) 5.344 4.415 ( 7.182 0.000 -11.879) 13.881 5.057 ( -0.431 0.000 0.405) 0.591 5.112 ( 1.397 0.000 -1.028) 1.735 5.324 ( 4.216 0.000 4.679) 6.298 5.365 ( -3.324 0.000 -1.740) 3.752 5.949 ( -3.458 0.000 -0.890) 3.571 6.045 ( -3.936 0.000 2.885) 4.880 6.183 ( -3.573 0.000 -5.871) 6.872 6.280 ( 2.859 0.000 -1.564) 3.259 6.378 ( -10.003 0.000 5.194) 11.271 6.950 ( 9.787 0.000 -0.253) 9.790 7.272 ( 5.027 0.000 4.813) 6.960 7.410 ( -1.446 0.000 -4.850) 5.061 7.537 ( 7.494 0.000 2.469) 7.890 7.720 ( 0.071 0.000 -7.202) 7.203 9.204 ( -5.346 0.000 8.717) 10.226 9.595 ( 2.640 0.000 -1.186) 2.894 9.738 ( 1.516 0.000 -2.820) 3.202 9.890 ( 1.200 0.000 -6.647) 6.755 10.318 ( -5.419 0.000 9.671) 11.085 10.724 ( -1.511 0.000 1.436) 2.084 10.901 ( 0.525 0.000 -0.061) 0.528 10.931 ( 2.377 0.000 -5.354) 5.858 14.116 ( 0.128 0.000 -0.588) 0.602 14.141 ( 0.631 0.000 -1.213) 1.367 ======================= Grid point 100 (47/100) ======================= q-point: ( 0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 2.129 0.000 -0.708) 2.244 0.893 ( 0.242 0.000 -0.912) 0.944 0.987 ( 3.014 0.000 1.882) 3.553 0.996 ( -2.466 0.000 3.541) 4.315 1.097 ( 0.668 0.000 0.344) 0.752 1.238 ( 2.332 0.000 -3.186) 3.948 1.344 ( -2.844 0.000 5.282) 5.999 1.475 ( 2.206 0.000 -0.405) 2.243 1.484 ( 4.695 0.000 0.138) 4.698 1.571 ( 5.979 0.000 -2.091) 6.334 1.637 ( -1.668 0.000 4.163) 4.485 1.700 ( 4.086 0.000 5.294) 6.688 1.938 ( 2.318 0.000 -0.431) 2.358 1.982 ( 4.487 0.000 0.807) 4.559 2.109 ( -2.233 0.000 5.563) 5.994 2.166 ( -2.870 0.000 1.979) 3.486 2.232 ( 1.013 0.000 -0.848) 1.321 2.300 ( -0.115 0.000 -0.914) 0.921 2.412 ( 3.840 0.000 0.972) 3.961 2.488 ( -1.864 0.000 -4.283) 4.671 2.509 ( -4.562 0.000 1.107) 4.694 2.629 ( 2.929 0.000 14.705) 14.994 2.709 ( -2.891 0.000 -5.557) 6.265 2.782 ( -8.171 0.000 -2.306) 8.491 2.923 ( -0.544 0.000 -0.517) 0.751 2.973 ( 1.795 0.000 -5.219) 5.519 3.190 ( 0.530 0.000 -0.787) 0.949 3.191 ( -1.790 0.000 0.382) 1.830 3.466 ( -6.994 0.000 2.275) 7.354 3.639 ( -3.923 0.000 4.417) 5.908 3.768 ( -3.341 0.000 -0.430) 3.369 4.042 ( 1.671 0.000 -2.035) 2.633 4.050 ( -0.652 0.000 -1.564) 1.694 4.142 ( 6.038 0.000 -1.219) 6.160 4.190 ( 1.674 0.000 0.106) 1.677 4.455 ( 8.853 0.000 -10.674) 13.868 5.048 ( -0.741 0.000 -0.269) 0.789 5.108 ( 0.458 0.000 -1.727) 1.787 5.284 ( -2.707 0.000 -2.941) 3.997 5.428 ( 2.137 0.000 1.874) 2.842 5.822 ( -5.983 0.000 -0.733) 6.028 6.030 ( -1.825 0.000 0.593) 1.919 6.037 ( -5.335 0.000 -1.971) 5.687 6.182 ( -7.022 0.000 1.246) 7.131 6.375 ( 0.581 0.000 0.071) 0.585 7.042 ( 2.088 0.000 -3.385) 3.977 7.388 ( 0.936 0.000 6.385) 6.454 7.464 ( 8.863 0.000 0.774) 8.896 7.606 ( -2.882 0.000 -8.693) 9.158 7.695 ( 8.265 0.000 -2.580) 8.658 9.201 ( -5.151 0.000 9.152) 10.502 9.637 ( 3.050 0.000 -0.861) 3.169 9.738 ( 2.110 0.000 -3.216) 3.847 9.825 ( -0.411 0.000 -5.949) 5.963 10.323 ( -5.170 0.000 9.874) 11.146 10.718 ( -1.022 0.000 1.848) 2.112 10.909 ( 0.181 0.000 0.070) 0.194 10.923 ( 2.860 0.000 -5.241) 5.971 14.113 ( 0.187 0.000 -0.444) 0.481 14.141 ( 0.663 0.000 -1.122) 1.304 ======================= Grid point 101 (48/100) ======================= q-point: (-0.57 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 3.760 0.000 2.150) 4.332 0.853 ( -2.425 0.000 -2.229) 3.294 1.012 ( -0.656 0.000 5.073) 5.116 1.069 ( 3.487 0.000 0.578) 3.535 1.096 ( 1.332 0.000 -0.923) 1.620 1.305 ( 4.324 0.000 -2.290) 4.892 1.329 ( -4.257 0.000 3.730) 5.660 1.374 ( -5.392 0.000 -4.917) 7.297 1.587 ( 3.973 0.000 3.912) 5.575 1.589 ( -6.405 0.000 1.075) 6.495 1.597 ( -2.156 0.000 -1.908) 2.878 1.817 ( 3.379 0.000 2.728) 4.342 1.967 ( -0.601 0.000 2.507) 2.579 2.083 ( -3.769 0.000 -1.472) 4.046 2.112 ( -2.021 0.000 2.073) 2.895 2.115 ( 4.189 0.000 5.990) 7.309 2.249 ( -0.366 0.000 -4.888) 4.902 2.293 ( 1.492 0.000 2.084) 2.564 2.378 ( -4.053 0.000 -5.607) 6.919 2.476 ( 0.354 0.000 0.193) 0.403 2.479 ( -1.230 0.000 4.224) 4.400 2.593 ( 0.103 0.000 -6.093) 6.094 2.628 ( -2.269 0.000 -2.886) 3.671 2.769 ( -8.893 0.000 5.332) 10.369 2.893 ( 2.013 0.000 0.740) 2.145 3.047 ( 7.821 0.000 -1.249) 7.920 3.171 ( -2.121 0.000 -1.632) 2.677 3.178 ( -0.392 0.000 0.554) 0.678 3.374 ( -2.604 0.000 3.070) 4.026 3.622 ( -2.956 0.000 4.704) 5.556 3.709 ( -2.078 0.000 0.014) 2.079 4.036 ( 0.679 0.000 -1.041) 1.242 4.058 ( 2.088 0.000 -1.820) 2.770 4.198 ( 0.009 0.000 -0.776) 0.776 4.274 ( 8.142 0.000 0.751) 8.176 4.470 ( 5.287 0.000 -11.910) 13.031 5.027 ( -0.480 0.000 -0.780) 0.915 5.106 ( 1.147 0.000 -1.249) 1.696 5.207 ( -2.402 0.000 -2.805) 3.693 5.413 ( -3.840 0.000 -2.610) 4.643 5.772 ( 0.002 0.000 2.087) 2.087 5.980 ( -0.249 0.000 -0.172) 0.302 5.988 ( -1.367 0.000 -1.239) 1.845 6.107 ( -3.052 0.000 3.180) 4.407 6.360 ( -1.226 0.000 -0.592) 1.361 7.013 ( 0.026 0.000 -5.250) 5.250 7.445 ( -1.835 0.000 6.136) 6.404 7.459 ( -3.151 0.000 -5.843) 6.638 7.660 ( 9.712 0.000 0.406) 9.720 7.749 ( 2.367 0.000 -6.888) 7.283 9.206 ( -4.823 0.000 9.358) 10.528 9.688 ( 2.427 0.000 0.411) 2.461 9.750 ( 2.348 0.000 -2.726) 3.598 9.770 ( 1.709 0.000 -5.858) 6.102 10.333 ( -5.112 0.000 9.922) 11.162 10.722 ( -0.849 0.000 1.989) 2.163 10.907 ( -0.248 0.000 -0.209) 0.324 10.927 ( 3.321 0.000 -4.916) 5.933 14.114 ( 0.326 0.000 -0.332) 0.466 14.142 ( 0.713 0.000 -1.072) 1.288 ======================= Grid point 102 (49/100) ======================= q-point: (-0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -5.335 0.000 -1.208) 5.470 0.765 ( 2.761 0.000 2.670) 3.841 1.062 ( -5.146 0.000 4.391) 6.765 1.089 ( 0.846 0.000 0.964) 1.283 1.104 ( -8.066 0.000 -6.280) 10.223 1.154 ( 0.985 0.000 2.993) 3.151 1.253 ( -7.059 0.000 1.862) 7.300 1.450 ( 3.927 0.000 0.144) 3.929 1.465 ( -2.902 0.000 0.155) 2.907 1.488 ( -4.804 0.000 0.046) 4.804 1.725 ( 3.744 0.000 6.140) 7.192 1.867 ( 1.232 0.000 -3.224) 3.452 1.963 ( -3.869 0.000 2.522) 4.618 2.024 ( -1.988 0.000 3.373) 3.915 2.052 ( -7.710 0.000 3.072) 8.299 2.172 ( -3.440 0.000 -6.005) 6.921 2.185 ( -4.411 0.000 -1.139) 4.556 2.186 ( -2.113 0.000 -2.276) 3.105 2.392 ( 4.993 0.000 3.406) 6.044 2.446 ( -6.081 0.000 2.819) 6.702 2.502 ( 0.780 0.000 0.833) 1.142 2.548 ( -11.908 0.000 3.301) 12.357 2.627 ( 1.597 0.000 -1.976) 2.541 2.633 ( 5.643 0.000 0.086) 5.644 2.884 ( -0.334 0.000 -6.592) 6.600 3.162 ( 2.492 0.000 0.985) 2.680 3.177 ( 0.878 0.000 -0.949) 1.293 3.189 ( 8.014 0.000 -1.623) 8.177 3.443 ( 3.544 0.000 5.042) 6.163 3.629 ( -2.188 0.000 5.519) 5.937 3.704 ( 1.398 0.000 0.016) 1.398 4.049 ( 1.835 0.000 -1.108) 2.143 4.072 ( 1.392 0.000 -2.044) 2.473 4.182 ( -0.843 0.000 -0.437) 0.949 4.422 ( 4.838 0.000 -13.267) 14.122 4.427 ( 6.856 0.000 -0.461) 6.872 5.049 ( 2.717 0.000 3.241) 4.229 5.108 ( -0.981 0.000 -2.129) 2.344 5.132 ( -2.874 0.000 -1.749) 3.364 5.262 ( -5.238 0.000 -4.439) 6.866 5.831 ( 2.660 0.000 1.888) 3.262 5.975 ( 1.026 0.000 -3.248) 3.406 5.987 ( 1.507 0.000 1.504) 2.129 6.112 ( 0.044 0.000 -0.890) 0.891 6.372 ( 0.625 0.000 6.968) 6.996 6.907 ( -3.093 0.000 -9.349) 9.847 7.421 ( 2.360 0.000 0.621) 2.440 7.449 ( -3.490 0.000 3.731) 5.109 7.643 ( -4.547 0.000 -8.163) 9.344 7.801 ( 6.032 0.000 -2.064) 6.376 9.218 ( -4.608 0.000 9.454) 10.517 9.713 ( 1.222 0.000 -2.186) 2.504 9.758 ( 1.426 0.000 -2.584) 2.951 9.783 ( 4.580 0.000 -3.693) 5.884 10.340 ( -5.424 0.000 9.757) 11.163 10.728 ( -0.647 0.000 1.882) 1.990 10.898 ( -0.194 0.000 -0.522) 0.557 10.941 ( 3.451 0.000 -4.517) 5.685 14.117 ( 0.422 0.000 -0.349) 0.548 14.144 ( 0.723 0.000 -1.112) 1.326 ======================= Grid point 103 (50/100) ======================= q-point: (-0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -7.471 0.000 2.554) 7.896 0.751 ( -8.551 0.000 1.954) 8.772 0.892 ( -11.019 0.000 3.130) 11.455 0.906 ( -5.513 0.000 -0.138) 5.515 1.129 ( -5.254 0.000 -2.000) 5.622 1.173 ( 1.468 0.000 4.731) 4.954 1.202 ( -1.217 0.000 -0.720) 1.414 1.362 ( -2.254 0.000 -0.214) 2.264 1.490 ( -4.632 0.000 4.632) 6.551 1.543 ( -0.305 0.000 2.003) 2.026 1.745 ( -15.205 0.000 11.043) 18.792 1.841 ( -0.909 0.000 -0.954) 1.318 1.856 ( -0.749 0.000 6.862) 6.903 1.977 ( -2.380 0.000 -6.454) 6.879 2.028 ( -0.957 0.000 5.996) 6.072 2.050 ( 1.229 0.000 -3.118) 3.351 2.162 ( 2.433 0.000 -1.794) 3.023 2.208 ( 2.515 0.000 3.186) 4.059 2.349 ( -9.098 0.000 9.547) 13.188 2.462 ( -0.260 0.000 -4.121) 4.129 2.484 ( 0.798 0.000 1.774) 1.945 2.541 ( 1.727 0.000 3.795) 4.170 2.602 ( -0.178 0.000 -3.824) 3.828 2.740 ( 4.036 0.000 2.049) 4.527 2.817 ( 1.583 0.000 -7.277) 7.447 3.181 ( 1.518 0.000 -1.793) 2.349 3.251 ( 5.097 0.000 1.214) 5.239 3.303 ( 6.507 0.000 -3.715) 7.492 3.564 ( 3.357 0.000 4.091) 5.292 3.660 ( -1.687 0.000 7.722) 7.904 3.744 ( 2.786 0.000 -0.620) 2.854 4.063 ( 0.346 0.000 -2.432) 2.456 4.074 ( 2.233 0.000 -1.663) 2.785 4.154 ( -2.066 0.000 -0.578) 2.145 4.398 ( 8.557 0.000 -14.235) 16.609 4.467 ( 0.455 0.000 -6.921) 6.936 4.983 ( -5.821 0.000 -2.497) 6.334 5.062 ( -1.670 0.000 -1.186) 2.049 5.223 ( 1.386 0.000 -0.756) 1.578 5.249 ( 9.099 0.000 11.886) 14.969 5.879 ( 1.210 0.000 0.555) 1.332 5.943 ( -0.225 0.000 -4.369) 4.374 6.063 ( 2.905 0.000 3.465) 4.522 6.078 ( 1.098 0.000 -4.497) 4.629 6.508 ( 1.418 0.000 11.149) 11.239 6.747 ( -2.441 0.000 -8.529) 8.872 7.373 ( -6.340 0.000 -3.969) 7.480 7.457 ( -7.309 0.000 -1.315) 7.426 7.522 ( 5.737 0.000 1.990) 6.072 7.835 ( 1.567 0.000 -4.771) 5.022 9.230 ( -4.978 0.000 9.451) 10.682 9.696 ( -0.555 0.000 -2.944) 2.996 9.748 ( 0.727 0.000 -2.889) 2.979 9.826 ( 5.466 0.000 -6.204) 8.268 10.337 ( -5.788 0.000 9.507) 11.130 10.740 ( -0.064 0.000 1.796) 1.797 10.892 ( 0.169 0.000 -0.627) 0.649 10.956 ( 3.050 0.000 -4.213) 5.201 14.121 ( 0.407 0.000 -0.479) 0.628 14.145 ( 0.690 0.000 -1.209) 1.392 ======================= Grid point 104 (51/100) ======================= q-point: (-0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -2.818 0.000 7.530) 8.041 0.690 ( -5.884 0.000 15.427) 16.511 0.788 ( -7.041 0.000 10.376) 12.539 0.800 ( -5.339 0.000 -2.135) 5.750 1.038 ( -2.837 0.000 0.850) 2.962 1.112 ( -3.319 0.000 -2.595) 4.213 1.204 ( -5.291 0.000 5.484) 7.620 1.349 ( -10.042 0.000 11.598) 15.341 1.369 ( 1.368 0.000 -0.811) 1.590 1.513 ( -3.293 0.000 0.926) 3.421 1.657 ( -5.175 0.000 0.286) 5.183 1.783 ( -0.568 0.000 -2.897) 2.952 1.916 ( -2.024 0.000 4.243) 4.701 1.923 ( -3.858 0.000 -2.184) 4.433 2.035 ( 3.054 0.000 -4.472) 5.415 2.095 ( -1.763 0.000 6.802) 7.027 2.262 ( 7.794 0.000 2.794) 8.279 2.278 ( -6.543 0.000 2.502) 7.005 2.320 ( 4.405 0.000 2.590) 5.110 2.465 ( 0.459 0.000 5.946) 5.964 2.513 ( 1.148 0.000 2.731) 2.963 2.592 ( 5.020 0.000 -4.728) 6.896 2.596 ( -1.277 0.000 3.885) 4.089 2.780 ( 2.780 0.000 -6.629) 7.188 2.823 ( 2.292 0.000 2.541) 3.422 3.194 ( 1.632 0.000 -1.549) 2.250 3.337 ( 2.811 0.000 -6.611) 7.184 3.360 ( 6.181 0.000 -1.028) 6.265 3.630 ( 0.257 0.000 1.851) 1.868 3.736 ( -0.465 0.000 9.143) 9.155 3.793 ( 3.570 0.000 -0.764) 3.650 4.036 ( -0.449 0.000 -2.943) 2.977 4.092 ( 1.361 0.000 -1.952) 2.379 4.096 ( -1.519 0.000 -2.393) 2.834 4.272 ( -12.350 0.000 -7.152) 14.271 4.427 ( 9.585 0.000 -13.924) 16.904 4.929 ( -0.175 0.000 3.752) 3.756 5.049 ( 0.434 0.000 0.374) 0.573 5.237 ( 0.703 0.000 -0.830) 1.088 5.506 ( 4.180 0.000 0.340) 4.194 5.902 ( 0.798 0.000 0.967) 1.253 5.938 ( 6.175 0.000 0.645) 6.209 6.129 ( 7.514 0.000 0.419) 7.526 6.134 ( 0.421 0.000 2.910) 2.941 6.597 ( -4.046 0.000 9.212) 10.061 6.678 ( 2.960 0.000 -4.360) 5.270 7.182 ( -8.726 0.000 1.034) 8.787 7.369 ( -2.776 0.000 1.235) 3.039 7.627 ( 3.399 0.000 -1.506) 3.717 7.773 ( -0.741 0.000 -5.962) 6.008 9.230 ( -5.639 0.000 9.036) 10.651 9.621 ( -3.951 0.000 -1.462) 4.213 9.734 ( 1.169 0.000 -2.597) 2.848 9.866 ( 7.419 0.000 -8.585) 11.347 10.328 ( -5.851 0.000 9.377) 11.052 10.757 ( -0.225 0.000 0.940) 0.967 10.891 ( 0.401 0.000 -0.605) 0.725 10.960 ( 2.145 0.000 -4.441) 4.932 14.122 ( 0.311 0.000 -0.612) 0.687 14.144 ( 0.657 0.000 -1.279) 1.438 ======================= Grid point 105 (52/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -4.684 -2.980 7.359) 9.218 0.705 ( 0.237 -0.482 5.775) 5.799 0.791 ( -0.193 -1.723 11.052) 11.187 0.993 ( 2.581 6.748 6.966) 10.036 1.045 ( 1.914 -3.036 -2.138) 4.177 1.148 ( 3.572 4.317 3.450) 6.580 1.193 ( -2.264 1.351 3.431) 4.327 1.331 ( -4.388 -0.543 3.599) 5.702 1.381 ( 2.223 -0.274 -1.511) 2.702 1.480 ( -3.261 0.434 -0.447) 3.320 1.594 ( -2.235 0.748 4.911) 5.447 1.776 ( 0.276 1.534 -0.664) 1.694 1.815 ( -0.053 -0.140 -1.739) 1.746 1.879 ( 0.478 -2.429 -0.018) 2.475 1.983 ( -3.362 1.202 -1.679) 3.946 2.124 ( -3.018 -4.568 5.044) 7.444 2.242 ( -2.929 6.167 4.292) 8.065 2.302 ( -0.752 -3.036 2.064) 3.747 2.414 ( -0.235 -1.641 1.211) 2.053 2.447 ( 5.025 -3.252 -1.213) 6.107 2.573 ( 0.520 2.624 1.125) 2.902 2.626 ( -3.719 1.806 4.372) 6.018 2.705 ( 5.863 1.001 0.026) 5.948 2.827 ( 5.102 -0.122 -0.574) 5.135 2.878 ( 0.373 1.466 0.387) 1.562 3.189 ( -1.172 -3.056 -6.795) 7.543 3.345 ( 0.436 7.151 -2.991) 7.764 3.447 ( 0.675 2.107 -3.313) 3.984 3.607 ( -5.727 2.139 0.930) 6.184 3.718 ( -5.465 -1.245 4.325) 7.080 3.838 ( -1.639 -1.996 -0.858) 2.721 4.011 ( 4.494 1.336 -2.713) 5.416 4.042 ( -1.616 1.009 0.167) 1.912 4.067 ( -0.484 -0.543 -1.222) 1.423 4.124 ( 0.716 1.299 -1.605) 2.185 4.405 ( 4.777 -2.865 -9.362) 10.893 4.989 ( 2.566 -1.900 2.774) 4.230 5.089 ( 0.434 -0.115 -0.520) 0.687 5.230 ( 1.125 -0.437 1.560) 1.972 5.443 ( -3.399 -1.059 -3.162) 4.761 5.921 ( 2.195 -0.640 3.211) 3.942 6.111 ( -2.283 -0.980 2.205) 3.322 6.144 ( 7.943 1.096 -1.243) 8.114 6.248 ( 3.400 -0.972 -1.459) 3.826 6.575 ( -8.280 2.781 4.032) 9.620 6.764 ( 7.118 -0.309 -1.039) 7.200 7.153 ( -0.012 1.288 4.130) 4.326 7.416 ( 0.912 1.096 3.256) 3.554 7.541 ( -2.607 -0.692 -6.755) 7.273 7.733 ( 3.898 -1.968 -3.962) 5.896 9.220 ( -4.764 0.640 7.514) 8.920 9.536 ( -0.579 -4.507 -1.444) 4.768 9.729 ( 2.260 0.386 -0.507) 2.348 9.914 ( 2.088 0.864 -2.224) 3.171 10.331 ( -3.230 1.457 5.196) 6.289 10.733 ( 0.317 -2.213 -1.617) 2.759 10.875 ( -0.577 -0.294 -0.264) 0.700 10.964 ( 0.841 0.915 -2.424) 2.724 14.121 ( 0.218 0.190 -0.698) 0.755 14.141 ( 0.605 -0.131 -1.235) 1.381 ======================= Grid point 106 (53/100) ======================= q-point: ( 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 1.792 0.017 2.477) 3.057 0.818 ( 4.546 -2.118 1.524) 5.242 0.924 ( 0.434 -1.019 10.808) 10.865 1.004 ( -3.653 -0.040 -0.976) 3.782 1.075 ( 2.170 0.401 -0.586) 2.283 1.253 ( 5.406 1.555 1.854) 5.923 1.323 ( 0.063 -0.193 5.365) 5.369 1.349 ( 9.119 -0.597 2.544) 9.487 1.406 ( -1.673 1.874 -1.517) 2.935 1.443 ( 5.436 -1.236 -0.297) 5.582 1.570 ( -1.655 -0.863 4.004) 4.418 1.740 ( -1.242 5.558 -1.800) 5.973 1.870 ( 3.401 -3.097 -1.973) 5.005 1.945 ( 4.973 -2.515 1.448) 5.758 1.959 ( 0.913 1.040 1.278) 1.884 2.167 ( 0.277 -1.981 8.186) 8.427 2.256 ( -0.870 6.775 5.552) 8.803 2.287 ( -1.363 -2.073 -1.058) 2.697 2.418 ( -3.320 0.413 5.460) 6.403 2.449 ( 0.538 -3.142 -5.719) 6.548 2.580 ( -5.330 -1.174 3.422) 6.442 2.587 ( 0.576 4.903 2.337) 5.462 2.811 ( -0.343 0.465 -1.546) 1.651 2.829 ( 2.026 0.451 -0.599) 2.160 2.914 ( 1.189 -1.466 -1.441) 2.375 3.058 ( -3.770 -3.051 -7.735) 9.130 3.298 ( -3.735 5.341 -0.735) 6.558 3.319 ( -6.493 5.781 -1.367) 8.801 3.558 ( -2.417 4.061 3.317) 5.774 3.656 ( -4.964 -1.627 3.928) 6.536 3.806 ( -1.364 -2.093 -1.271) 2.803 4.030 ( 1.313 -0.443 -2.007) 2.439 4.069 ( 0.776 -1.220 -0.760) 1.634 4.107 ( 2.970 3.040 -0.362) 4.266 4.131 ( 4.331 1.012 -1.363) 4.652 4.394 ( 5.012 -2.287 -8.614) 10.225 5.037 ( 0.277 -1.835 1.019) 2.117 5.081 ( -0.065 -2.963 -1.584) 3.360 5.303 ( 3.040 -1.826 3.470) 4.962 5.357 ( -2.741 -1.202 -2.350) 3.805 5.960 ( -3.007 1.078 0.230) 3.203 6.042 ( -4.092 -0.312 2.555) 4.834 6.206 ( -2.164 1.837 -5.054) 5.797 6.274 ( 3.254 -0.563 -1.483) 3.620 6.419 ( -9.247 4.490 3.630) 10.902 6.918 ( 8.583 -3.335 -0.592) 9.228 7.256 ( 4.161 -1.441 4.250) 6.119 7.369 ( -1.474 -3.545 -2.185) 4.418 7.575 ( 6.434 3.249 0.211) 7.211 7.730 ( 1.904 0.757 -6.602) 6.912 9.214 ( -4.642 1.131 7.764) 9.116 9.536 ( 1.846 -5.633 -1.727) 6.175 9.744 ( 0.481 1.084 -1.407) 1.840 9.916 ( 0.668 1.633 -2.337) 2.928 10.327 ( -3.334 1.422 5.564) 6.641 10.723 ( 0.095 -1.186 -0.689) 1.375 10.863 ( 0.118 -1.436 -0.953) 1.728 10.957 ( 0.868 1.026 -1.870) 2.302 14.118 ( 0.161 0.208 -0.627) 0.681 14.140 ( 0.597 -0.147 -1.169) 1.321 ======================= Grid point 107 (54/100) ======================= q-point: ( 0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 3.610 0.462 -1.520) 3.944 0.874 ( 1.240 -0.916 -0.310) 1.573 0.944 ( -1.758 -3.870 1.459) 4.494 1.002 ( -0.142 0.371 2.844) 2.871 1.125 ( 2.587 2.078 1.028) 3.474 1.264 ( 0.808 2.766 -2.588) 3.873 1.334 ( -0.943 -1.069 2.728) 3.077 1.499 ( 4.484 1.292 0.632) 4.709 1.512 ( 4.555 1.830 2.024) 5.310 1.541 ( 2.855 0.256 -1.109) 3.074 1.640 ( 2.616 -0.405 6.035) 6.590 1.763 ( 3.108 5.692 2.108) 6.819 1.913 ( 3.816 -3.293 -0.405) 5.057 1.986 ( 1.249 0.516 1.974) 2.392 2.063 ( 3.199 -2.643 2.362) 4.775 2.142 ( -3.522 -2.392 -0.610) 4.301 2.264 ( -1.454 1.760 1.175) 2.568 2.312 ( -1.139 0.911 -3.702) 3.979 2.415 ( 4.181 -0.135 1.752) 4.535 2.447 ( -1.925 -2.613 0.096) 3.247 2.487 ( -4.044 -1.136 1.813) 4.575 2.678 ( 0.971 2.279 5.578) 6.103 2.719 ( -2.420 1.752 -3.519) 4.617 2.776 ( -7.905 -0.420 -1.231) 8.011 2.901 ( 2.280 -2.122 -4.004) 5.073 2.960 ( 0.034 -1.314 -2.083) 2.463 3.238 ( -0.609 5.142 -0.624) 5.215 3.260 ( -1.808 5.930 1.123) 6.300 3.514 ( -7.149 5.190 3.927) 9.668 3.618 ( -3.812 -1.964 4.209) 6.008 3.759 ( -2.663 -1.066 -0.458) 2.905 4.040 ( 2.054 0.034 -1.709) 2.673 4.051 ( -0.476 -0.181 -1.475) 1.560 4.158 ( 4.431 1.782 -1.178) 4.919 4.202 ( 2.340 0.910 0.027) 2.511 4.419 ( 6.580 -3.751 -8.291) 11.230 5.027 ( -0.997 -2.264 -1.421) 2.853 5.072 ( 0.386 -2.944 0.185) 2.975 5.279 ( -2.268 -0.803 -2.940) 3.799 5.381 ( 1.308 -4.288 1.604) 4.761 5.836 ( -6.168 1.598 -1.192) 6.482 6.014 ( -2.596 -1.450 -0.028) 2.974 6.091 ( -3.679 4.586 -2.760) 6.495 6.219 ( -4.338 3.061 -0.253) 5.315 6.391 ( -0.585 2.337 1.599) 2.891 6.994 ( 1.961 -4.957 -3.384) 6.314 7.343 ( 0.976 -3.171 5.482) 6.408 7.440 ( 7.361 -3.340 0.065) 8.084 7.623 ( -0.641 2.910 -4.828) 5.673 7.739 ( 7.126 2.938 -4.569) 8.960 9.211 ( -4.593 1.144 7.991) 9.288 9.558 ( 2.541 -7.278 -2.114) 7.993 9.726 ( -0.630 1.288 -1.050) 1.777 9.901 ( 0.824 3.929 -2.401) 4.677 10.326 ( -3.377 1.018 6.121) 7.065 10.723 ( 0.248 -0.713 -0.143) 0.768 10.859 ( 0.626 -1.998 -1.263) 2.445 10.956 ( 0.838 1.077 -1.346) 1.917 14.115 ( 0.219 0.228 -0.487) 0.580 14.139 ( 0.632 -0.160 -1.074) 1.257 ======================= Grid point 108 (55/100) ======================= q-point: (-0.57 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 4.562 1.656 1.544) 5.092 0.867 ( -1.539 1.454 -0.508) 2.178 0.960 ( -0.317 -4.556 4.165) 6.181 1.019 ( 1.633 -2.167 -1.279) 3.000 1.173 ( 1.805 4.668 1.705) 5.287 1.287 ( -0.247 -0.317 -0.665) 0.777 1.348 ( 2.270 0.862 0.371) 2.456 1.438 ( -6.686 5.256 -2.986) 9.013 1.583 ( 1.091 -0.567 0.923) 1.537 1.598 ( 1.385 1.600 1.562) 2.630 1.644 ( -6.011 3.942 1.846) 7.422 1.852 ( 3.508 3.651 0.553) 5.093 1.957 ( 1.666 -2.264 -1.786) 3.330 2.014 ( -3.711 -3.317 2.932) 5.776 2.103 ( 2.695 -1.338 5.460) 6.234 2.160 ( -2.045 1.899 2.388) 3.673 2.225 ( -0.141 -1.021 -3.464) 3.614 2.308 ( 4.279 0.631 0.216) 4.331 2.343 ( -5.144 -1.642 -2.767) 6.067 2.442 ( -1.102 -2.685 -0.598) 2.963 2.527 ( 0.507 1.760 -1.102) 2.137 2.577 ( -0.444 -0.621 -2.149) 2.281 2.607 ( -4.104 -1.810 -4.087) 6.069 2.781 ( -4.640 1.359 3.683) 6.078 2.905 ( 1.924 -0.500 -3.246) 3.806 2.985 ( 3.945 -3.768 -0.331) 5.466 3.233 ( 0.816 6.004 0.001) 6.059 3.262 ( -0.110 5.780 0.981) 5.864 3.421 ( -5.282 5.721 4.955) 9.229 3.605 ( -2.591 -1.568 4.640) 5.541 3.709 ( -1.884 -0.213 -0.044) 1.896 4.035 ( 0.286 0.001 -0.746) 0.799 4.068 ( 2.460 0.977 -1.492) 3.039 4.199 ( 0.342 0.207 -1.165) 1.232 4.274 ( 6.205 -0.257 0.215) 6.214 4.423 ( 3.550 -4.919 -9.314) 11.115 4.999 ( 0.164 -2.150 -1.013) 2.382 5.090 ( 0.521 -1.881 1.086) 2.234 5.211 ( -1.462 0.177 -3.178) 3.503 5.368 ( -3.045 -4.038 -1.794) 5.366 5.766 ( -0.739 0.101 0.898) 1.168 5.950 ( -1.901 -2.491 -2.574) 4.055 6.044 ( -0.101 4.613 -0.313) 4.625 6.163 ( -1.398 4.249 -0.151) 4.476 6.383 ( -1.424 3.091 1.663) 3.787 6.970 ( 0.352 -4.428 -4.679) 6.452 7.387 ( -1.713 -3.012 3.236) 4.741 7.484 ( -1.142 -1.709 -2.835) 3.502 7.635 ( 5.135 0.814 -0.650) 5.240 7.792 ( 4.109 2.384 -6.023) 7.671 9.214 ( -4.171 0.953 8.116) 9.174 9.578 ( 2.213 -9.125 -2.627) 9.750 9.718 ( 0.306 2.200 0.608) 2.303 9.901 ( 1.668 5.346 -2.213) 6.022 10.331 ( -3.347 0.551 6.503) 7.334 10.726 ( 0.231 -0.737 -0.116) 0.782 10.859 ( 0.734 -1.941 -1.016) 2.310 10.958 ( 0.964 1.081 -1.426) 2.033 14.116 ( 0.352 0.235 -0.379) 0.568 14.140 ( 0.687 -0.161 -1.020) 1.241 ======================= Grid point 109 (56/100) ======================= q-point: (-0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 2.673 2.078 2.376) 4.136 0.809 ( -3.798 4.239 0.174) 5.694 0.996 ( -3.370 -3.682 5.807) 7.657 1.023 ( -1.484 -2.925 -0.919) 3.406 1.178 ( -2.737 3.524 -3.497) 5.669 1.219 ( -3.294 3.809 1.908) 5.385 1.298 ( -6.319 4.438 0.747) 7.758 1.435 ( 3.956 -0.756 1.102) 4.175 1.495 ( -4.725 1.921 -1.672) 5.368 1.520 ( -3.785 3.439 0.330) 5.125 1.731 ( 3.418 0.143 6.413) 7.268 1.851 ( -1.329 -0.533 -3.589) 3.864 1.959 ( -1.000 -3.125 -1.978) 3.831 1.994 ( -3.234 0.018 5.630) 6.493 2.076 ( -8.403 0.813 1.908) 8.655 2.158 ( -0.408 -0.642 1.840) 1.991 2.185 ( -2.788 1.898 -4.186) 5.376 2.224 ( -2.551 1.693 -2.345) 3.857 2.387 ( -3.503 -1.057 1.850) 4.100 2.410 ( 1.917 -2.013 3.038) 4.118 2.474 ( 0.881 -1.086 -4.017) 4.253 2.553 ( -1.894 -0.403 1.188) 2.272 2.605 ( 1.525 -1.324 -2.856) 3.497 2.716 ( -1.036 5.806 3.826) 7.030 2.864 ( 0.071 -2.118 -6.890) 7.208 3.076 ( 5.904 -4.738 -0.825) 7.615 3.254 ( 0.174 7.054 0.027) 7.056 3.293 ( 4.047 6.276 0.235) 7.471 3.462 ( 2.389 2.734 5.796) 6.839 3.617 ( -1.702 -0.724 4.919) 5.255 3.707 ( 1.616 -0.019 0.407) 1.667 4.041 ( 1.082 -0.565 -0.874) 1.501 4.092 ( 1.582 1.749 -1.635) 2.870 4.179 ( -0.942 -0.352 -0.784) 1.275 4.357 ( 3.983 -5.796 -8.362) 10.926 4.397 ( 3.602 -3.776 -2.723) 5.886 5.038 ( 2.969 -0.949 3.665) 4.811 5.096 ( -1.552 -2.326 0.641) 2.868 5.158 ( -1.296 3.235 -3.962) 5.277 5.251 ( -3.101 -0.527 -3.701) 4.857 5.809 ( 2.480 -1.939 1.375) 3.436 5.913 ( 0.904 -3.864 -1.770) 4.345 6.049 ( 0.945 3.612 -0.944) 3.852 6.140 ( 0.150 2.060 -3.592) 4.143 6.424 ( 1.408 5.611 7.493) 9.466 6.887 ( -2.336 -2.131 -8.079) 8.676 7.397 ( 1.052 -2.046 3.047) 3.818 7.440 ( -2.887 -2.076 0.160) 3.560 7.624 ( -3.303 -0.104 -4.980) 5.977 7.815 ( 4.188 0.516 -4.100) 5.883 9.227 ( -3.853 0.915 8.185) 9.092 9.589 ( 2.357 -9.288 -2.897) 10.011 9.737 ( 0.413 1.692 0.482) 1.807 9.907 ( 1.275 5.338 -2.114) 5.882 10.337 ( -3.393 0.411 6.436) 7.288 10.728 ( 0.363 -1.179 -0.478) 1.323 10.864 ( 0.587 -1.290 -0.308) 1.450 10.963 ( 1.431 0.977 -1.813) 2.508 14.119 ( 0.440 0.224 -0.398) 0.634 14.143 ( 0.701 -0.149 -1.058) 1.278 ======================= Grid point 110 (57/100) ======================= q-point: (-0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -7.702 4.428 -1.474) 9.005 0.814 ( -4.443 5.326 4.053) 8.034 0.885 ( -9.143 1.956 2.493) 9.677 0.939 ( -6.240 1.937 2.456) 6.980 1.127 ( -4.312 0.415 -1.676) 4.645 1.190 ( 0.213 1.521 4.132) 4.409 1.229 ( -2.467 2.742 -1.324) 3.919 1.372 ( -2.978 0.863 -1.151) 3.308 1.509 ( -3.836 0.666 3.246) 5.069 1.538 ( 0.268 -0.167 3.415) 3.430 1.735 ( -12.750 -2.358 4.911) 13.865 1.781 ( -4.549 -3.427 2.565) 6.247 1.882 ( 0.532 3.401 6.296) 7.175 1.962 ( -3.504 -2.669 -2.311) 4.975 2.039 ( -0.238 -0.307 3.071) 3.096 2.080 ( 0.587 3.605 -4.934) 6.139 2.152 ( 0.494 -1.906 -0.878) 2.156 2.243 ( 3.172 1.959 2.042) 4.251 2.342 ( -4.327 1.839 6.115) 7.713 2.438 ( -0.203 -1.886 -2.322) 2.998 2.498 ( 1.201 -0.160 1.791) 2.163 2.534 ( 0.034 -0.264 -0.236) 0.356 2.606 ( 1.707 0.725 -2.311) 2.963 2.774 ( 2.297 2.991 2.581) 4.570 2.810 ( 1.573 -0.148 -5.786) 5.998 3.176 ( 5.660 -5.253 -1.375) 7.843 3.273 ( 3.212 7.846 -1.653) 8.638 3.374 ( 4.382 4.882 -1.125) 6.656 3.579 ( 3.305 1.840 4.343) 5.759 3.645 ( -0.754 -0.902 4.781) 4.924 3.764 ( 2.894 1.567 1.751) 3.728 4.046 ( 0.523 -1.784 -1.620) 2.466 4.086 ( 0.377 1.540 -2.453) 2.920 4.153 ( -1.635 -0.359 -0.138) 1.680 4.341 ( 6.033 -5.680 -10.248) 13.179 4.399 ( -0.615 -6.113 -4.458) 7.590 5.007 ( -4.239 1.316 -4.408) 6.255 5.070 ( -1.639 -0.163 0.988) 1.921 5.175 ( 3.212 -1.469 1.198) 3.729 5.308 ( 8.095 3.921 5.811) 10.708 5.836 ( 0.815 -3.632 -0.431) 3.747 5.945 ( 2.592 -0.600 -1.990) 3.323 6.057 ( 0.842 0.355 0.061) 0.916 6.111 ( 1.530 2.315 -2.577) 3.787 6.554 ( 1.607 4.553 8.582) 9.847 6.749 ( -2.125 0.133 -7.359) 7.661 7.339 ( -6.645 -2.844 -2.357) 7.602 7.466 ( -3.613 0.262 2.242) 4.260 7.521 ( 2.950 0.522 -0.714) 3.079 7.814 ( 0.627 -2.343 -5.497) 6.008 9.238 ( -4.295 0.748 7.878) 9.003 9.610 ( 3.201 -9.143 -3.056) 10.158 9.718 ( -2.445 1.340 -1.040) 2.976 9.902 ( 0.835 4.169 -2.301) 4.835 10.339 ( -3.390 0.698 5.894) 6.835 10.732 ( 0.944 -1.970 -1.048) 2.423 10.875 ( 0.401 -0.235 0.440) 0.640 10.971 ( 1.598 0.802 -2.122) 2.775 14.123 ( 0.423 0.204 -0.525) 0.705 14.144 ( 0.668 -0.133 -1.157) 1.343 ======================= Grid point 111 (58/100) ======================= q-point: (-0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -6.782 -0.407 4.343) 8.063 0.746 ( -8.319 -0.831 8.897) 12.209 0.811 ( -8.971 1.200 -0.921) 9.097 0.863 ( -0.142 11.426 9.443) 14.824 1.068 ( -0.969 1.514 -0.407) 1.843 1.131 ( -4.081 3.418 -1.043) 5.425 1.216 ( -3.810 0.881 4.583) 6.024 1.344 ( -2.867 0.370 4.773) 5.580 1.401 ( -4.894 1.154 2.947) 5.828 1.531 ( -3.128 0.800 2.501) 4.084 1.619 ( -5.947 -3.510 1.435) 7.053 1.764 ( -1.068 -1.477 1.338) 2.261 1.881 ( -0.699 -2.613 0.171) 2.710 1.923 ( -3.529 -0.301 -2.884) 4.568 2.052 ( -0.664 3.937 -2.210) 4.564 2.091 ( 1.670 -4.098 4.858) 6.572 2.252 ( 6.661 -0.621 2.800) 7.252 2.278 ( -2.719 -0.901 1.600) 3.281 2.329 ( -0.802 2.257 3.649) 4.365 2.416 ( -1.373 -3.318 1.894) 4.060 2.528 ( 1.557 0.861 1.608) 2.398 2.581 ( 5.727 -0.658 -3.008) 6.502 2.640 ( 1.268 3.684 3.822) 5.458 2.783 ( 1.415 1.127 -4.452) 4.806 2.842 ( 2.267 1.771 1.844) 3.417 3.231 ( 2.454 -3.585 -3.411) 5.524 3.331 ( 5.153 6.719 -3.861) 9.306 3.425 ( 3.366 4.161 -2.440) 5.882 3.645 ( 0.056 1.597 1.625) 2.279 3.696 ( 0.802 -2.001 4.628) 5.105 3.841 ( 2.408 2.606 2.329) 4.245 4.010 ( -1.558 -2.306 -2.662) 3.851 4.071 ( 0.355 -0.103 -1.846) 1.883 4.124 ( -0.043 1.000 -1.223) 1.580 4.230 ( -9.562 -3.564 -4.775) 11.266 4.391 ( 7.508 -4.130 -9.668) 12.919 4.938 ( -0.259 1.063 0.231) 1.119 5.075 ( 0.742 0.928 0.757) 1.409 5.211 ( 0.964 -1.586 -0.182) 1.865 5.498 ( 4.033 -1.307 -1.725) 4.577 5.864 ( 1.211 -1.530 0.953) 2.172 5.982 ( 5.765 2.997 1.387) 6.644 6.106 ( 2.305 -1.631 2.071) 3.501 6.151 ( 4.249 0.534 0.231) 4.288 6.615 ( -2.804 1.842 5.568) 6.501 6.699 ( 2.262 1.591 -2.633) 3.819 7.195 ( -7.295 1.753 2.349) 7.862 7.392 ( -2.655 2.338 1.064) 3.695 7.620 ( 3.815 -0.822 -1.099) 4.055 7.730 ( -1.330 -4.424 -6.247) 7.770 9.232 ( -4.910 0.368 7.434) 8.916 9.597 ( -2.200 -6.535 -3.635) 7.795 9.684 ( 1.548 0.586 0.527) 1.738 9.899 ( 1.707 2.422 -2.341) 3.776 10.337 ( -3.277 1.141 5.323) 6.355 10.738 ( 1.162 -2.748 -1.816) 3.493 10.883 ( -0.211 0.352 0.415) 0.584 10.973 ( 1.101 0.763 -2.433) 2.777 14.124 ( 0.331 0.188 -0.655) 0.757 14.143 ( 0.631 -0.125 -1.233) 1.390 ======================= Grid point 112 (59/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 1.807 1.682 4.101) 4.787 0.676 ( 0.342 -3.249 1.158) 3.466 0.855 ( -1.814 8.127 9.392) 12.552 1.022 ( -0.927 1.503 -4.186) 4.543 1.093 ( -1.695 2.404 2.417) 3.807 1.175 ( -2.169 -3.160 4.171) 5.665 1.238 ( 0.993 4.508 1.643) 4.900 1.317 ( -3.063 0.029 1.923) 3.617 1.370 ( 1.699 -1.162 -1.151) 2.358 1.435 ( -0.414 -4.356 2.716) 5.150 1.640 ( -2.677 3.309 1.549) 4.529 1.772 ( -2.115 -1.731 3.770) 4.656 1.810 ( 2.977 -1.975 -3.099) 4.729 1.838 ( 1.389 -0.622 -0.311) 1.554 2.046 ( -3.346 3.778 -1.738) 5.337 2.067 ( 0.027 -0.211 0.401) 0.454 2.236 ( 0.679 -1.949 1.623) 2.626 2.315 ( -1.034 -4.530 4.412) 6.408 2.337 ( 1.595 1.382 0.213) 2.121 2.423 ( 3.785 -2.103 0.436) 4.352 2.633 ( 1.736 3.324 3.934) 5.435 2.668 ( 0.283 1.838 3.720) 4.159 2.756 ( 0.517 4.678 -1.791) 5.036 2.839 ( 2.177 1.351 -0.398) 2.593 2.902 ( 0.719 1.011 -0.543) 1.354 3.085 ( -0.834 -7.317 -5.834) 9.395 3.470 ( -0.471 4.956 -1.490) 5.197 3.494 ( -1.466 2.375 -1.922) 3.388 3.654 ( -2.076 1.998 -0.078) 2.883 3.742 ( -1.477 3.481 1.930) 4.245 3.787 ( -3.695 -1.464 -0.752) 4.045 4.015 ( 1.296 -2.789 -1.349) 3.358 4.053 ( -1.901 0.091 -1.395) 2.359 4.057 ( 1.409 0.454 -1.326) 1.987 4.162 ( 1.249 2.860 0.981) 3.271 4.326 ( 2.049 -5.267 -1.307) 5.801 4.975 ( 1.244 0.295 0.925) 1.578 5.049 ( -0.250 -3.184 -0.835) 3.301 5.245 ( 1.163 2.108 -0.156) 2.413 5.394 ( -1.262 -4.109 -4.770) 6.421 5.945 ( 1.235 3.130 4.663) 5.750 6.080 ( -2.527 -2.433 3.005) 4.618 6.164 ( 6.810 1.104 -0.225) 6.902 6.221 ( 4.169 -1.754 -0.574) 4.559 6.642 ( -3.331 3.929 0.218) 5.156 6.748 ( 4.033 -1.426 -1.242) 4.455 7.199 ( -3.417 3.824 2.603) 5.751 7.395 ( -5.953 -3.979 -0.740) 7.198 7.554 ( 4.390 2.658 -2.889) 5.889 7.685 ( 5.641 -3.069 -2.746) 6.985 9.246 ( -2.872 2.305 5.099) 6.290 9.421 ( -0.368 -6.678 -0.547) 6.710 9.771 ( -0.302 3.723 3.080) 4.841 9.911 ( -1.536 -1.776 3.136) 3.917 10.392 ( 0.966 5.190 -1.753) 5.562 10.647 ( 2.910 -6.369 -5.129) 8.680 10.900 ( -2.044 2.335 1.583) 3.484 10.967 ( -0.480 -0.590 -0.187) 0.783 14.126 ( 0.297 0.308 -0.807) 0.913 14.138 ( 0.520 -0.249 -1.117) 1.257 ======================= Grid point 113 (60/100) ======================= q-point: ( 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 2.539 4.374 0.374) 5.071 0.771 ( 4.990 -3.181 1.293) 6.057 0.928 ( -3.603 1.563 9.348) 10.139 1.025 ( 1.595 2.874 -3.151) 4.553 1.045 ( 2.140 -2.921 -0.321) 3.635 1.236 ( 3.667 -3.593 3.212) 6.056 1.332 ( 3.787 0.806 0.051) 3.872 1.373 ( 7.819 2.793 5.293) 9.846 1.410 ( 3.952 -1.430 -0.915) 4.302 1.446 ( -1.209 1.530 -1.571) 2.504 1.598 ( -0.148 3.380 5.727) 6.652 1.780 ( 1.960 -4.796 -2.166) 5.616 1.826 ( 1.102 1.360 -0.649) 1.867 1.862 ( 1.148 -2.589 2.659) 3.885 2.034 ( 2.278 3.183 -4.083) 5.656 2.119 ( 3.415 -2.695 -0.060) 4.351 2.268 ( 0.352 0.441 3.405) 3.452 2.357 ( 0.539 2.090 1.094) 2.419 2.359 ( -1.243 -2.244 5.463) 6.035 2.442 ( -1.518 -1.254 -1.075) 2.243 2.594 ( -6.331 4.769 0.985) 7.987 2.692 ( 0.907 5.001 2.841) 5.823 2.806 ( 1.010 -0.795 -0.731) 1.478 2.840 ( 0.119 -0.049 -0.707) 0.719 2.891 ( -1.184 -0.863 -3.214) 3.532 2.968 ( -3.513 -5.979 -5.635) 8.936 3.392 ( -4.661 4.725 -0.302) 6.644 3.442 ( -2.759 5.057 -0.317) 5.769 3.629 ( -3.777 -0.037 1.589) 4.098 3.685 ( -3.930 8.504 4.444) 10.369 3.756 ( -0.336 -2.962 -1.423) 3.303 4.001 ( 0.611 -3.896 -1.446) 4.200 4.052 ( 0.881 0.335 -0.439) 1.039 4.116 ( 5.260 -1.635 -1.133) 5.623 4.190 ( 1.047 4.243 0.221) 4.376 4.335 ( 1.190 -3.651 -1.993) 4.326 5.003 ( 0.263 -1.440 1.094) 1.827 5.023 ( -1.259 -2.713 -1.305) 3.263 5.273 ( 1.438 -0.922 0.770) 1.874 5.319 ( -1.860 -2.530 -3.297) 4.553 5.986 ( -3.067 1.631 1.798) 3.911 6.034 ( -4.229 -0.634 2.421) 4.914 6.235 ( 0.080 1.121 -3.212) 3.403 6.262 ( 3.044 -0.676 -1.544) 3.480 6.540 ( -5.303 7.936 -0.164) 9.546 6.830 ( 5.242 -6.003 -1.838) 8.179 7.233 ( 1.943 -0.602 3.715) 4.235 7.298 ( -1.488 -3.657 0.718) 4.013 7.642 ( 6.045 3.597 -1.863) 7.277 7.733 ( 4.464 -0.655 -5.291) 6.953 9.248 ( -3.001 2.584 5.320) 6.632 9.417 ( 0.382 -6.319 -0.485) 6.349 9.785 ( -1.137 3.195 1.818) 3.848 9.916 ( -1.565 -1.921 3.051) 3.930 10.390 ( 0.871 5.416 -1.746) 5.757 10.648 ( 2.959 -6.232 -4.946) 8.488 10.880 ( -1.917 2.461 1.889) 3.647 10.958 ( -0.433 -0.824 0.250) 0.964 14.123 ( 0.254 0.338 -0.737) 0.850 14.136 ( 0.506 -0.277 -1.050) 1.198 ======================= Grid point 114 (61/100) ======================= q-point: ( 0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 4.831 2.972 -3.367) 6.596 0.821 ( 2.418 -5.172 -1.856) 6.004 0.919 ( -2.864 1.562 3.129) 4.521 1.001 ( -1.397 -0.490 0.678) 1.628 1.168 ( 4.679 2.896 4.290) 6.977 1.299 ( 0.597 -2.192 0.522) 2.330 1.334 ( 0.362 3.768 -1.754) 4.172 1.472 ( 2.754 -2.956 -1.392) 4.273 1.536 ( 7.828 1.691 2.751) 8.468 1.596 ( 8.447 0.320 1.460) 8.578 1.664 ( -1.745 5.315 6.885) 8.871 1.856 ( 3.878 1.827 1.825) 4.659 1.858 ( 5.453 -1.206 -1.741) 5.850 1.942 ( 0.743 -4.141 6.522) 7.761 2.061 ( 5.597 0.916 -1.787) 5.946 2.103 ( -0.410 -0.403 -5.997) 6.024 2.281 ( -1.613 -0.089 0.285) 1.640 2.309 ( -3.171 -0.991 -3.903) 5.126 2.382 ( 0.145 -1.970 1.659) 2.580 2.398 ( -4.072 -2.672 0.687) 4.919 2.542 ( -0.919 6.042 2.764) 6.708 2.690 ( -5.077 -0.193 -4.348) 6.687 2.740 ( -4.410 -0.179 -2.284) 4.970 2.797 ( -0.529 2.060 0.914) 2.315 2.842 ( 0.591 -3.410 -1.196) 3.662 2.927 ( 1.809 -2.488 -2.448) 3.932 3.342 ( -1.299 5.342 0.574) 5.527 3.387 ( -3.056 6.421 1.048) 7.188 3.565 ( -4.618 -1.753 2.993) 5.775 3.642 ( -5.788 2.877 3.243) 7.232 3.752 ( -0.758 4.078 2.141) 4.667 4.023 ( 2.196 -2.881 -1.148) 3.800 4.057 ( 1.019 1.641 -0.630) 2.032 4.195 ( 3.597 -2.455 -0.695) 4.410 4.208 ( 1.399 3.098 -0.693) 3.469 4.332 ( 1.031 -4.576 -2.804) 5.465 4.982 ( -1.073 -1.748 -1.277) 2.416 5.018 ( 0.170 -2.726 1.392) 3.066 5.256 ( -1.637 -1.249 -2.650) 3.356 5.299 ( 0.390 -3.783 0.158) 3.806 5.879 ( -5.830 2.788 -1.253) 6.583 5.979 ( -3.951 -2.173 -0.316) 4.520 6.173 ( -1.489 3.747 -3.695) 5.469 6.252 ( -0.185 0.001 -3.452) 3.457 6.494 ( -1.922 8.537 2.518) 9.106 6.863 ( 1.306 -8.774 -2.713) 9.276 7.301 ( 1.293 -0.971 4.586) 4.863 7.366 ( 4.258 -3.831 1.178) 5.847 7.693 ( 2.570 3.884 -4.064) 6.181 7.773 ( 6.088 0.420 -5.165) 7.995 9.245 ( -3.176 2.570 5.154) 6.577 9.419 ( 0.524 -6.845 -0.798) 6.911 9.776 ( -1.569 3.743 2.017) 4.532 9.920 ( -1.246 -1.829 3.067) 3.782 10.388 ( 0.749 5.599 -1.553) 5.859 10.652 ( 2.957 -6.271 -4.853) 8.462 10.871 ( -1.454 2.556 2.318) 3.745 10.957 ( -0.313 -0.970 0.640) 1.203 14.121 ( 0.308 0.371 -0.606) 0.774 14.135 ( 0.546 -0.302 -0.946) 1.133 ======================= Grid point 115 (62/100) ======================= q-point: (-0.57 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 5.766 2.754 0.228) 6.394 0.868 ( 3.531 -4.607 -0.025) 5.805 0.908 ( -2.351 2.439 3.993) 5.236 0.988 ( -1.104 -1.269 1.667) 2.368 1.255 ( 0.833 3.626 1.900) 4.177 1.298 ( 0.217 1.175 -0.659) 1.364 1.364 ( 2.227 1.286 0.219) 2.581 1.485 ( -1.002 -1.863 -0.879) 2.291 1.604 ( -2.493 3.688 -0.367) 4.467 1.641 ( 0.613 2.753 -0.476) 2.860 1.720 ( -2.048 3.420 3.177) 5.097 1.866 ( -0.351 -4.472 -0.517) 4.516 1.940 ( 0.987 1.816 -2.805) 3.484 1.989 ( -1.382 0.615 2.822) 3.202 2.071 ( 2.142 -0.347 1.463) 2.617 2.186 ( 4.607 1.931 1.345) 5.174 2.231 ( -2.595 -0.277 -1.179) 2.863 2.284 ( 3.251 -3.027 -1.175) 4.595 2.338 ( -0.449 0.924 0.481) 1.134 2.407 ( -0.323 -0.841 0.212) 0.925 2.498 ( -1.338 -2.796 -6.469) 7.173 2.536 ( -3.886 -3.091 -3.748) 6.221 2.645 ( -3.281 4.290 0.112) 5.402 2.814 ( -1.509 0.130 0.799) 1.713 2.845 ( 1.752 -2.453 -3.196) 4.393 2.943 ( 2.282 -2.086 -1.066) 3.270 3.339 ( 0.471 4.112 0.336) 4.152 3.366 ( -0.705 5.775 1.629) 6.042 3.521 ( -3.295 0.625 3.494) 4.843 3.605 ( -1.901 1.084 5.082) 5.533 3.736 ( -3.333 6.951 1.793) 7.914 4.031 ( 0.152 -0.961 -0.264) 1.008 4.088 ( 1.998 1.011 -0.311) 2.261 4.213 ( 0.462 1.443 -2.051) 2.550 4.240 ( 1.991 -5.000 -1.792) 5.672 4.310 ( 0.361 -5.126 -2.554) 5.738 4.973 ( 0.917 -0.250 0.490) 1.070 5.040 ( -0.018 -3.053 1.874) 3.582 5.212 ( 0.272 0.202 -2.310) 2.335 5.289 ( -0.807 -3.894 -1.161) 4.143 5.787 ( -2.154 2.102 -1.484) 3.356 5.897 ( -2.707 -3.096 -2.768) 4.958 6.127 ( -0.043 3.948 -2.260) 4.549 6.209 ( -0.005 0.256 -4.173) 4.181 6.501 ( -0.319 9.052 3.390) 9.672 6.854 ( 1.139 -7.786 -2.812) 8.356 7.347 ( -1.262 -1.032 3.351) 3.727 7.414 ( 0.153 -4.182 -0.559) 4.222 7.696 ( 2.172 4.269 -3.500) 5.932 7.809 ( 3.674 -0.658 -5.880) 6.964 9.244 ( -2.668 2.352 5.135) 6.247 9.421 ( 0.639 -7.353 -0.843) 7.429 9.780 ( -0.944 4.241 3.025) 5.294 9.935 ( -0.948 -1.640 3.273) 3.782 10.386 ( 0.753 5.535 -1.323) 5.740 10.654 ( 2.762 -6.370 -4.868) 8.480 10.873 ( -1.107 2.607 2.551) 3.812 10.959 ( -0.172 -0.952 0.636) 1.158 14.122 ( 0.422 0.380 -0.510) 0.763 14.136 ( 0.616 -0.306 -0.880) 1.117 ======================= Grid point 116 (63/100) ======================= q-point: (-0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 3.132 2.399 2.184) 4.509 0.886 ( -1.969 2.792 -0.017) 3.417 0.944 ( -0.395 -1.473 6.844) 7.012 0.994 ( -1.546 -0.639 3.141) 3.559 1.234 ( -2.677 2.651 -1.090) 3.921 1.271 ( -2.808 1.706 -1.006) 3.436 1.386 ( -7.151 4.072 0.407) 8.239 1.425 ( 2.057 -0.103 1.327) 2.450 1.531 ( -4.066 1.830 -0.352) 4.473 1.590 ( -3.619 2.787 -2.237) 5.086 1.715 ( -0.400 -0.969 -0.443) 1.138 1.855 ( -0.610 -2.952 2.275) 3.777 1.892 ( -0.152 0.581 -3.351) 3.404 1.994 ( -2.138 -0.895 5.753) 6.202 2.083 ( -10.195 0.475 -0.013) 10.206 2.137 ( -0.562 -1.590 1.153) 2.043 2.250 ( -2.326 3.565 -1.284) 4.446 2.263 ( -1.304 3.201 -5.339) 6.360 2.343 ( 2.313 -1.681 -0.072) 2.860 2.419 ( 2.665 0.928 0.269) 2.835 2.440 ( 0.826 -2.601 -3.891) 4.752 2.509 ( 2.285 -3.854 -1.250) 4.651 2.623 ( 0.174 3.386 0.495) 3.426 2.782 ( -0.112 -1.782 -1.182) 2.141 2.840 ( 1.009 2.498 -1.780) 3.229 2.990 ( 3.983 -4.483 -1.196) 6.115 3.374 ( 1.990 3.095 0.721) 3.749 3.378 ( 1.448 3.706 0.576) 4.020 3.554 ( 2.266 4.444 4.545) 6.749 3.664 ( -1.543 7.669 6.832) 10.386 3.695 ( 1.301 -0.288 -0.984) 1.656 4.029 ( -0.168 -1.271 -0.398) 1.343 4.117 ( 0.943 -0.001 0.689) 1.168 4.175 ( -0.829 -0.637 -3.628) 3.776 4.220 ( -0.387 -6.920 -2.644) 7.418 4.310 ( 0.477 -4.752 -1.200) 4.924 5.016 ( 0.696 -1.127 2.924) 3.210 5.045 ( -1.099 -2.606 0.913) 2.972 5.220 ( 1.597 3.025 -2.262) 4.101 5.258 ( 1.860 0.999 -2.109) 2.984 5.775 ( 1.581 -1.224 -0.938) 2.208 5.835 ( 0.340 -4.153 -2.881) 5.066 6.112 ( 0.412 2.987 -1.948) 3.590 6.165 ( 0.205 0.455 -4.017) 4.047 6.567 ( 2.577 8.730 4.494) 10.152 6.828 ( -0.236 -4.260 -4.996) 6.570 7.355 ( -0.658 -2.053 3.870) 4.430 7.378 ( -3.284 -3.462 0.111) 4.773 7.664 ( -1.610 3.652 -4.270) 5.845 7.800 ( 1.921 -2.200 -5.454) 6.187 9.254 ( -2.259 2.130 5.132) 5.998 9.428 ( 1.051 -7.519 -0.761) 7.630 9.792 ( -1.572 4.077 2.956) 5.276 9.945 ( -1.762 -1.407 3.006) 3.758 10.387 ( 0.819 5.261 -1.230) 5.464 10.652 ( 2.597 -6.378 -4.896) 8.450 10.884 ( -0.691 2.585 2.662) 3.774 10.964 ( 0.179 -0.830 0.429) 0.952 14.125 ( 0.491 0.361 -0.533) 0.810 14.138 ( 0.642 -0.285 -0.914) 1.153 ======================= Grid point 117 (64/100) ======================= q-point: (-0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -6.958 3.659 -3.904) 8.778 0.876 ( -2.323 0.596 -0.589) 2.470 0.958 ( -6.070 3.379 4.468) 8.260 0.999 ( -1.931 4.801 7.080) 8.770 1.166 ( -3.926 3.883 -0.614) 5.556 1.225 ( -0.907 2.137 3.380) 4.101 1.288 ( -4.063 2.878 0.100) 4.980 1.383 ( -3.253 -0.342 -1.159) 3.470 1.491 ( -4.332 -1.569 2.481) 5.233 1.530 ( -2.805 -1.772 1.549) 3.661 1.670 ( -3.948 -1.454 1.521) 4.474 1.775 ( -9.096 1.415 1.030) 9.263 1.869 ( -5.090 -5.677 -2.086) 7.905 1.959 ( -1.870 0.794 4.011) 4.496 2.019 ( -0.756 0.689 3.342) 3.495 2.114 ( 1.708 -0.404 4.474) 4.806 2.161 ( 1.698 3.033 -8.075) 8.791 2.247 ( 0.604 -1.036 -1.758) 2.129 2.402 ( -0.048 2.635 -0.663) 2.718 2.409 ( -1.535 -0.762 -0.324) 1.744 2.469 ( 1.834 -1.720 1.190) 2.782 2.516 ( 2.579 -2.080 -3.136) 4.562 2.660 ( 2.702 4.835 0.992) 5.627 2.793 ( 3.156 -0.707 -1.957) 3.780 2.856 ( 0.687 4.126 1.091) 4.323 3.061 ( 4.851 -6.684 -1.786) 8.450 3.412 ( 3.313 5.158 -0.629) 6.162 3.450 ( 3.729 2.527 0.279) 4.513 3.651 ( 2.941 4.295 2.244) 5.669 3.659 ( -0.014 4.795 1.094) 4.918 3.788 ( 3.353 1.171 3.937) 5.302 4.013 ( -1.014 -1.767 -0.628) 2.132 4.120 ( -0.934 1.073 -3.092) 3.404 4.132 ( -0.688 -1.566 0.955) 1.958 4.209 ( 2.616 -7.374 -2.177) 8.121 4.276 ( -2.537 -6.022 -1.666) 6.744 5.011 ( -2.018 -0.566 -1.742) 2.725 5.035 ( -0.534 -2.432 1.815) 3.081 5.210 ( 1.716 4.389 -2.752) 5.457 5.359 ( 6.806 0.235 0.493) 6.828 5.785 ( 2.515 -0.678 -0.165) 2.610 5.901 ( 5.941 -3.817 0.982) 7.129 6.087 ( -0.879 2.443 -1.939) 3.241 6.141 ( 0.807 0.541 -2.477) 2.661 6.652 ( 1.206 5.090 2.760) 5.915 6.748 ( -1.385 -0.439 -4.871) 5.083 7.305 ( -4.373 0.045 1.878) 4.759 7.430 ( 2.285 -3.814 5.012) 6.700 7.570 ( -2.629 4.176 -4.018) 6.364 7.749 ( -1.247 -4.405 -6.080) 7.611 9.261 ( -2.766 1.931 4.657) 5.751 9.441 ( 1.084 -8.050 -0.882) 8.170 9.775 ( -3.273 4.422 2.627) 6.097 9.932 ( -2.589 -1.342 2.570) 3.887 10.390 ( 0.884 5.049 -1.343) 5.299 10.649 ( 2.712 -6.375 -4.974) 8.528 10.902 ( -0.456 2.468 2.535) 3.568 10.973 ( 0.328 -0.662 0.156) 0.756 14.128 ( 0.469 0.327 -0.655) 0.869 14.140 ( 0.610 -0.256 -1.020) 1.216 ======================= Grid point 118 (65/100) ======================= q-point: (-0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -8.001 3.091 -3.439) 9.241 0.763 ( -6.231 -3.703 -3.302) 7.965 0.854 ( -6.497 8.919 4.309) 11.846 1.060 ( -1.479 7.631 7.466) 10.777 1.113 ( -3.814 3.183 0.824) 5.035 1.209 ( -3.402 2.793 -0.456) 4.426 1.234 ( -3.378 2.319 3.791) 5.583 1.355 ( -0.091 0.216 0.570) 0.617 1.398 ( -6.341 -1.046 2.642) 6.948 1.480 ( -4.783 -6.201 0.580) 7.853 1.591 ( -3.921 1.989 7.501) 8.695 1.747 ( -0.549 0.432 3.435) 3.505 1.808 ( 0.137 -6.130 0.404) 6.145 1.881 ( -2.859 -4.533 -2.652) 5.979 2.076 ( 0.505 3.909 -1.919) 4.384 2.149 ( -1.191 5.704 -0.322) 5.836 2.222 ( 0.657 -2.754 -2.049) 3.494 2.254 ( 5.470 -0.418 4.314) 6.979 2.315 ( -3.389 -3.320 1.033) 4.855 2.371 ( -0.044 -3.276 -3.155) 4.548 2.545 ( 2.240 1.315 4.910) 5.555 2.575 ( 4.472 -0.082 0.270) 4.481 2.739 ( 3.889 6.504 1.414) 7.709 2.823 ( 0.977 2.404 -2.393) 3.530 2.880 ( 1.187 2.271 0.950) 2.733 3.111 ( 3.007 -7.846 -3.423) 9.073 3.461 ( 3.092 5.055 -2.280) 6.349 3.502 ( 2.038 3.346 -0.991) 4.042 3.683 ( 0.441 1.784 -0.300) 1.862 3.702 ( 1.708 3.493 1.600) 4.205 3.854 ( -0.922 -0.471 1.178) 1.569 3.989 ( 0.094 -0.402 -0.131) 0.433 4.076 ( -0.653 0.384 -1.864) 2.012 4.131 ( -0.164 -0.242 0.458) 0.543 4.167 ( -4.882 -2.569 -2.733) 6.156 4.277 ( 3.868 -7.278 -0.325) 8.248 4.965 ( -0.450 1.652 -1.311) 2.156 5.049 ( 0.487 -2.840 0.312) 2.899 5.224 ( 1.777 3.157 -1.071) 3.778 5.434 ( 2.997 -5.526 -4.305) 7.619 5.881 ( 2.965 3.217 2.788) 5.188 6.027 ( 6.553 -0.154 1.210) 6.665 6.071 ( -0.035 -0.274 2.019) 2.038 6.146 ( 2.843 -1.089 -1.332) 3.323 6.659 ( -0.950 2.568 1.106) 2.953 6.717 ( 0.938 0.066 -1.173) 1.503 7.264 ( -4.368 5.771 3.160) 7.897 7.442 ( -2.747 2.184 1.406) 3.780 7.587 ( 5.965 -3.194 -0.388) 6.778 7.627 ( -3.760 -5.201 -6.990) 9.489 9.252 ( -3.184 2.007 4.526) 5.887 9.439 ( -0.214 -8.114 -1.134) 8.196 9.752 ( -2.072 5.027 3.583) 6.511 9.913 ( -2.210 -1.507 2.737) 3.827 10.392 ( 0.943 5.052 -1.570) 5.373 10.648 ( 2.897 -6.436 -5.126) 8.724 10.912 ( -1.135 2.276 1.936) 3.197 10.976 ( -0.104 -0.534 -0.177) 0.572 14.128 ( 0.388 0.303 -0.773) 0.916 14.139 ( 0.562 -0.239 -1.106) 1.264 ======================= Grid point 119 (66/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 2.927 -5.443 1.196) 6.295 0.585 ( 2.927 5.443 1.196) 6.295 1.029 ( -3.172 -8.333 4.850) 10.150 1.029 ( -3.172 8.333 4.850) 10.150 1.094 ( -4.142 -4.835 -3.037) 7.054 1.094 ( -4.142 4.835 -3.037) 7.054 1.324 ( 1.873 -4.309 0.291) 4.707 1.324 ( 1.873 4.309 0.291) 4.707 1.351 ( -0.357 -3.330 4.418) 5.543 1.351 ( -0.357 3.330 4.418) 5.543 1.709 ( -3.017 -3.985 0.256) 5.005 1.709 ( -3.017 3.985 0.256) 5.005 1.812 ( 2.974 -1.743 0.242) 3.455 1.812 ( 2.974 1.743 0.242) 3.455 2.085 ( -0.627 -0.340 -3.305) 3.381 2.085 ( -0.627 0.340 -3.305) 3.381 2.237 ( 0.084 -2.652 3.593) 4.466 2.237 ( 0.084 2.652 3.593) 4.466 2.375 ( 2.759 -2.471 1.524) 4.005 2.375 ( 2.759 2.471 1.524) 4.005 2.676 ( 3.030 -1.049 4.126) 5.225 2.676 ( 3.030 1.049 4.126) 5.225 2.844 ( -1.052 -2.462 -1.962) 3.320 2.844 ( -1.052 2.462 -1.962) 3.320 2.948 ( 0.060 -5.674 -2.876) 6.361 2.948 ( 0.060 5.674 -2.876) 6.361 3.518 ( -1.683 -0.260 -0.608) 1.808 3.518 ( -1.683 0.260 -0.608) 1.808 3.701 ( -0.315 -3.418 -1.908) 3.927 3.701 ( -0.315 3.418 -1.908) 3.927 3.904 ( -2.168 -8.187 1.029) 8.532 3.904 ( -2.168 8.187 1.029) 8.532 4.059 ( -0.094 -0.249 -1.720) 1.740 4.059 ( -0.094 0.249 -1.720) 1.740 4.231 ( 1.418 -4.457 2.537) 5.320 4.231 ( 1.418 4.457 2.537) 5.320 4.997 ( 0.093 -2.062 -0.082) 2.066 4.997 ( 0.093 2.062 -0.082) 2.066 5.308 ( 0.490 -4.427 -3.265) 5.523 5.308 ( 0.490 4.427 -3.265) 5.523 6.018 ( -0.880 -4.049 4.143) 5.859 6.018 ( -0.880 4.049 4.143) 5.859 6.189 ( 5.318 -1.577 -0.225) 5.551 6.189 ( 5.318 1.577 -0.225) 5.551 6.708 ( 0.970 -2.912 -1.307) 3.336 6.708 ( 0.970 2.912 -1.307) 3.336 7.294 ( -6.251 -5.895 -0.151) 8.594 7.294 ( -6.251 5.895 -0.151) 8.594 7.620 ( 6.077 -3.773 -1.897) 7.400 7.620 ( 6.077 3.773 -1.897) 7.400 9.312 ( -1.235 -4.713 2.237) 5.361 9.312 ( -1.235 4.713 2.237) 5.361 9.850 ( -2.126 -4.216 4.511) 6.530 9.850 ( -2.126 4.216 4.511) 6.530 10.514 ( 3.034 -7.331 -5.255) 9.517 10.514 ( 3.034 7.331 -5.255) 9.517 10.943 ( -1.560 -1.952 1.238) 2.789 10.943 ( -1.560 1.952 1.238) 2.789 14.132 ( 0.407 -0.322 -0.960) 1.091 14.132 ( 0.407 0.322 -0.960) 1.091 ======================= Grid point 121 (67/100) ======================= q-point: ( 0.14 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 3.271 -5.015 0.603) 6.018 0.693 ( 3.271 5.015 0.603) 6.018 0.974 ( -2.045 -3.426 1.320) 4.203 0.974 ( -2.045 3.426 1.320) 4.203 1.133 ( 4.839 -6.775 2.058) 8.576 1.133 ( 4.839 6.775 2.058) 8.576 1.360 ( 4.468 -2.028 -0.375) 4.921 1.360 ( 4.468 2.028 -0.375) 4.921 1.443 ( 2.782 -2.110 1.711) 3.888 1.443 ( 2.782 2.110 1.711) 3.888 1.680 ( 1.558 -5.114 3.934) 6.638 1.680 ( 1.558 5.114 3.934) 6.638 1.837 ( 0.876 -1.323 -1.487) 2.174 1.837 ( 0.876 1.323 -1.487) 2.174 2.078 ( 3.077 -1.841 -4.557) 5.799 2.078 ( 3.077 1.841 -4.557) 5.799 2.301 ( -0.329 -2.734 5.756) 6.380 2.301 ( -0.329 2.734 5.756) 6.380 2.402 ( -1.000 -2.266 0.558) 2.539 2.402 ( -1.000 2.266 0.558) 2.539 2.720 ( -0.945 -4.972 0.325) 5.071 2.720 ( -0.945 4.972 0.325) 5.071 2.800 ( -1.486 -1.973 -1.576) 2.930 2.800 ( -1.486 1.973 -1.576) 2.930 2.892 ( -1.889 -1.445 -2.815) 3.685 2.892 ( -1.889 1.445 -2.815) 3.685 3.463 ( -3.385 -2.296 0.862) 4.180 3.463 ( -3.385 2.296 0.862) 4.180 3.675 ( -2.322 -4.193 -1.133) 4.925 3.675 ( -2.322 4.193 -1.133) 4.925 3.874 ( -0.792 -9.277 1.892) 9.501 3.874 ( -0.792 9.277 1.892) 9.501 4.076 ( 2.395 -2.010 -0.665) 3.196 4.076 ( 2.395 2.010 -0.665) 3.196 4.266 ( 0.502 -3.777 0.819) 3.897 4.266 ( 0.502 3.777 0.819) 3.897 4.992 ( -0.787 -0.455 0.014) 0.909 4.992 ( -0.787 0.455 0.014) 0.909 5.278 ( -0.268 -1.459 -2.165) 2.625 5.278 ( -0.268 1.459 -2.165) 2.625 6.015 ( -3.845 -1.324 2.390) 4.717 6.015 ( -3.845 1.324 2.390) 4.717 6.250 ( 1.929 -0.643 -2.029) 2.872 6.250 ( 1.929 0.643 -2.029) 2.872 6.696 ( 0.200 -8.097 -2.409) 8.450 6.696 ( 0.200 8.097 -2.409) 8.450 7.244 ( -0.178 -1.841 2.887) 3.429 7.244 ( -0.178 1.841 2.887) 3.429 7.702 ( 5.730 -2.605 -3.665) 7.283 7.702 ( 5.730 2.605 -3.665) 7.283 9.314 ( -1.221 -4.515 2.277) 5.202 9.314 ( -1.221 4.515 2.277) 5.202 9.855 ( -2.233 -3.953 3.962) 6.026 9.855 ( -2.233 3.953 3.962) 6.026 10.516 ( 3.044 -7.396 -5.196) 9.538 10.516 ( 3.044 7.396 -5.196) 9.538 10.928 ( -1.530 -2.311 1.665) 3.233 10.928 ( -1.530 2.311 1.665) 3.233 14.130 ( 0.380 -0.355 -0.891) 1.032 14.130 ( 0.380 0.355 -0.891) 1.032 ======================= Grid point 123 (68/100) ======================= q-point: ( 0.29 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 3.744 -5.222 -3.710) 7.420 0.718 ( 3.744 5.222 -3.710) 7.420 0.968 ( -2.410 -2.888 3.134) 4.896 0.968 ( -2.410 2.888 3.134) 4.896 1.238 ( 3.418 -4.028 2.576) 5.877 1.238 ( 3.418 4.028 2.576) 5.877 1.408 ( 1.520 -3.779 -2.654) 4.862 1.408 ( 1.520 3.779 -2.654) 4.862 1.571 ( 8.541 -1.982 2.827) 9.213 1.571 ( 8.541 1.982 2.827) 9.213 1.790 ( -1.412 -6.719 4.456) 8.185 1.790 ( -1.412 6.719 4.456) 8.185 1.878 ( 6.481 -2.952 2.021) 7.403 1.878 ( 6.481 2.952 2.021) 7.403 2.095 ( 5.063 -1.940 -5.059) 7.415 2.095 ( 5.063 1.940 -5.059) 7.415 2.284 ( -4.066 -1.294 -2.005) 4.715 2.284 ( -4.066 1.294 -2.005) 4.715 2.367 ( -2.411 -0.623 1.971) 3.175 2.367 ( -2.411 0.623 1.971) 3.175 2.655 ( -5.639 -4.494 -3.923) 8.209 2.655 ( -5.639 4.494 -3.923) 8.209 2.754 ( -0.662 -2.567 0.884) 2.794 2.754 ( -0.662 2.567 0.884) 2.794 2.869 ( 1.289 -3.342 -1.478) 3.875 2.869 ( 1.289 3.342 -1.478) 3.875 3.425 ( -2.268 -2.788 1.533) 3.908 3.425 ( -2.268 2.788 1.533) 3.908 3.591 ( -4.917 -4.588 0.739) 6.766 3.591 ( -4.917 4.588 0.739) 6.766 3.917 ( 1.520 -8.816 2.251) 9.225 3.917 ( 1.520 8.816 2.251) 9.225 4.112 ( 1.697 -4.454 -0.074) 4.767 4.112 ( 1.697 4.454 -0.074) 4.767 4.267 ( -0.290 -2.942 -0.744) 3.048 4.267 ( -0.290 2.942 -0.744) 3.048 4.977 ( -0.503 -1.279 0.366) 1.422 4.977 ( -0.503 1.279 0.366) 1.422 5.251 ( -0.584 -1.121 -1.617) 2.053 5.251 ( -0.584 1.121 -1.617) 2.053 5.933 ( -5.033 -2.775 -0.775) 5.800 5.933 ( -5.033 2.775 -0.775) 5.800 6.229 ( -0.099 -2.170 -3.789) 4.368 6.229 ( -0.099 2.170 -3.789) 4.368 6.679 ( -0.190 -10.396 -0.502) 10.410 6.679 ( -0.190 10.396 -0.502) 10.410 7.311 ( 2.328 -1.893 3.089) 4.306 7.311 ( 2.328 1.893 3.089) 4.306 7.754 ( 4.647 -2.353 -4.760) 7.057 7.754 ( 4.647 2.353 -4.760) 7.057 9.312 ( -1.383 -4.583 1.915) 5.156 9.312 ( -1.383 4.583 1.915) 5.156 9.855 ( -2.125 -4.365 4.141) 6.381 9.855 ( -2.125 4.365 4.141) 6.381 10.517 ( 2.960 -7.576 -5.123) 9.613 10.517 ( 2.960 7.576 -5.123) 9.613 10.923 ( -1.231 -2.526 2.105) 3.511 10.923 ( -1.231 2.526 2.105) 3.511 14.128 ( 0.428 -0.388 -0.773) 0.965 14.128 ( 0.428 0.388 -0.773) 0.965 ======================= Grid point 125 (69/100) ======================= q-point: (-0.57 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 5.426 -3.880 -0.483) 6.687 0.786 ( 5.426 3.880 -0.483) 6.687 0.957 ( -2.451 -2.330 4.222) 5.410 0.957 ( -2.451 2.330 4.222) 5.410 1.300 ( 0.438 -1.300 1.079) 1.745 1.300 ( 0.438 1.300 1.079) 1.745 1.418 ( 2.117 -4.123 -1.063) 4.754 1.418 ( 2.117 4.123 -1.063) 4.754 1.662 ( -1.255 -1.559 -2.065) 2.876 1.662 ( -1.255 1.559 -2.065) 2.876 1.783 ( -1.686 -4.090 3.594) 5.699 1.783 ( -1.686 4.090 3.594) 5.699 1.964 ( -0.004 -2.233 -0.507) 2.290 1.964 ( -0.004 2.233 -0.507) 2.290 2.155 ( 1.344 -6.427 -2.019) 6.869 2.155 ( 1.344 6.427 -2.019) 6.869 2.233 ( 4.360 -2.513 0.165) 5.035 2.233 ( 4.360 2.513 0.165) 5.035 2.376 ( 1.616 -2.666 1.794) 3.597 2.376 ( 1.616 2.666 1.794) 3.597 2.486 ( -5.779 -1.771 -6.036) 8.542 2.486 ( -5.779 1.771 -6.036) 8.542 2.734 ( -1.953 -5.026 -0.863) 5.460 2.734 ( -1.953 5.026 -0.863) 5.460 2.889 ( 1.810 -3.390 -0.990) 3.969 2.889 ( 1.810 3.390 -0.990) 3.969 3.403 ( -1.482 -2.225 0.901) 2.821 3.403 ( -1.482 2.225 0.901) 2.821 3.556 ( -0.356 -4.185 2.998) 5.160 3.556 ( -0.356 4.185 2.998) 5.160 3.940 ( -1.509 -10.099 1.452) 10.314 3.940 ( -1.509 10.099 1.452) 10.314 4.125 ( -0.772 -3.971 0.507) 4.077 4.125 ( -0.772 3.971 0.507) 4.077 4.251 ( 0.435 -2.435 -1.927) 3.136 4.251 ( 0.435 2.435 -1.927) 3.136 4.990 ( 0.559 -1.990 1.630) 2.633 4.990 ( 0.559 1.990 1.630) 2.633 5.231 ( 0.763 -2.112 -1.457) 2.677 5.231 ( 0.763 2.112 -1.457) 2.677 5.838 ( -2.969 -3.093 -2.747) 5.093 5.838 ( -2.969 3.093 -2.747) 5.093 6.187 ( 0.024 -2.314 -3.619) 4.296 6.187 ( 0.024 2.314 -3.619) 4.296 6.685 ( 1.166 -9.882 0.321) 9.956 6.685 ( 1.166 9.882 0.321) 9.956 7.354 ( -0.711 -1.889 1.793) 2.700 7.354 ( -0.711 1.889 1.793) 2.700 7.770 ( 2.630 -3.306 -5.213) 6.709 7.770 ( 2.630 3.306 -5.213) 6.709 9.308 ( -0.983 -4.610 1.861) 5.068 9.308 ( -0.983 4.610 1.861) 5.068 9.867 ( -1.788 -4.721 4.763) 6.940 9.867 ( -1.788 4.721 4.763) 6.940 10.517 ( 2.842 -7.699 -5.088) 9.656 10.517 ( 2.842 7.699 -5.088) 9.656 10.925 ( -0.970 -2.523 2.207) 3.490 10.925 ( -0.970 2.523 2.207) 3.490 14.129 ( 0.518 -0.396 -0.693) 0.951 14.129 ( 0.518 0.396 -0.693) 0.951 ======================= Grid point 127 (70/100) ======================= q-point: (-0.43 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 2.500 -2.284 0.906) 3.505 0.874 ( 2.500 2.284 0.906) 3.505 0.970 ( -2.082 -2.204 6.463) 7.138 0.970 ( -2.082 2.204 6.463) 7.138 1.274 ( -2.059 -1.334 -1.174) 2.720 1.274 ( -2.059 1.334 -1.174) 2.720 1.428 ( -3.454 -0.390 1.013) 3.620 1.428 ( -3.454 0.390 1.013) 3.620 1.575 ( -3.258 -2.970 -1.140) 4.554 1.575 ( -3.258 2.970 -1.140) 4.554 1.760 ( -1.495 -5.006 -3.594) 6.342 1.760 ( -1.495 5.006 -3.594) 6.342 1.952 ( -0.768 -3.368 5.070) 6.135 1.952 ( -0.768 3.368 5.070) 6.135 2.104 ( -6.471 -1.704 -0.692) 6.727 2.104 ( -6.471 1.704 -0.692) 6.727 2.294 ( -1.417 -1.478 -4.617) 5.050 2.294 ( -1.417 1.478 -4.617) 5.050 2.370 ( 4.240 -4.383 -2.874) 6.742 2.370 ( 4.240 4.383 -2.874) 6.742 2.446 ( 2.124 -2.226 0.744) 3.165 2.446 ( 2.124 2.226 0.744) 3.165 2.706 ( 0.880 -4.870 -0.637) 4.990 2.706 ( 0.880 4.870 -0.637) 4.990 2.910 ( 1.787 -4.060 -0.914) 4.529 2.910 ( 1.787 4.060 -0.914) 4.529 3.404 ( 1.037 -0.722 1.018) 1.623 3.404 ( 1.037 0.722 1.018) 1.623 3.631 ( 4.241 -4.107 2.391) 6.369 3.631 ( 4.241 4.107 2.391) 6.369 3.904 ( -2.830 -12.503 1.297) 12.885 3.904 ( -2.830 12.503 1.297) 12.885 4.111 ( -1.501 -1.251 1.423) 2.418 4.111 ( -1.501 1.251 1.423) 2.418 4.234 ( -0.299 -3.339 -2.356) 4.097 4.234 ( -0.299 3.339 -2.356) 4.097 5.011 ( -0.638 -0.788 1.641) 1.929 5.011 ( -0.638 0.788 1.641) 1.929 5.262 ( 3.648 -1.071 -1.196) 3.986 5.262 ( 3.648 1.071 -1.196) 3.986 5.777 ( 0.416 -1.642 -2.996) 3.442 5.777 ( 0.416 1.642 -2.996) 3.442 6.156 ( 0.231 -1.484 -2.853) 3.224 6.156 ( 0.231 1.484 -2.853) 3.224 6.721 ( 2.066 -7.183 -0.557) 7.495 6.721 ( 2.066 7.183 -0.557) 7.495 7.337 ( -2.581 -0.562 2.484) 3.626 7.337 ( -2.581 0.562 2.484) 3.626 7.739 ( 0.021 -3.977 -5.317) 6.640 7.739 ( 0.021 3.977 -5.317) 6.640 9.315 ( -0.579 -4.511 1.899) 4.928 9.315 ( -0.579 4.511 1.899) 4.928 9.879 ( -2.589 -4.725 4.665) 7.127 9.879 ( -2.589 4.725 4.665) 7.127 10.515 ( 2.794 -7.639 -5.086) 9.593 10.515 ( 2.794 7.639 -5.086) 9.593 10.934 ( -0.570 -2.354 2.126) 3.223 10.934 ( -0.570 2.354 2.126) 3.223 14.132 ( 0.565 -0.373 -0.722) 0.989 14.132 ( 0.565 0.373 -0.722) 0.989 ======================= Grid point 129 (71/100) ======================= q-point: (-0.29 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -5.046 -3.291 -3.270) 6.854 0.840 ( -5.046 3.291 -3.270) 6.854 1.023 ( -1.225 -2.138 6.955) 7.378 1.023 ( -1.225 2.138 6.955) 7.378 1.242 ( -0.872 -1.924 0.558) 2.185 1.242 ( -0.872 1.924 0.558) 2.185 1.337 ( -5.391 -3.350 2.215) 6.722 1.337 ( -5.391 3.350 2.215) 6.722 1.489 ( -5.974 -1.529 0.750) 6.212 1.489 ( -5.974 1.529 0.750) 6.212 1.716 ( -0.984 -5.387 -1.191) 5.604 1.716 ( -0.984 5.387 -1.191) 5.604 1.884 ( -10.573 -5.238 -0.292) 11.803 1.884 ( -10.573 5.238 -0.292) 11.803 2.084 ( 4.915 -3.079 6.013) 8.354 2.084 ( 4.915 3.079 6.013) 8.354 2.213 ( 0.417 -2.410 -6.497) 6.942 2.213 ( 0.417 2.410 -6.497) 6.942 2.410 ( -3.192 -1.060 -2.450) 4.161 2.410 ( -3.192 1.060 -2.450) 4.161 2.476 ( 4.374 -1.937 0.294) 4.793 2.476 ( 4.374 1.937 0.294) 4.793 2.751 ( 3.702 -4.008 0.550) 5.484 2.751 ( 3.702 4.008 0.550) 5.484 2.943 ( 2.377 -5.470 -0.764) 6.013 2.943 ( 2.377 5.470 -0.764) 6.013 3.462 ( 3.507 -0.912 0.782) 3.707 3.462 ( 3.507 0.912 0.782) 3.707 3.710 ( 3.072 -2.253 -1.667) 4.158 3.710 ( 3.072 2.253 -1.667) 4.158 3.903 ( -0.019 -10.373 3.337) 10.897 3.903 ( -0.019 10.373 3.337) 10.897 4.101 ( -1.074 -1.568 1.855) 2.656 4.101 ( -1.074 1.568 1.855) 2.656 4.191 ( -1.644 -3.168 -1.852) 4.021 4.191 ( -1.644 3.168 -1.852) 4.021 5.007 ( -0.740 -0.501 0.538) 1.043 5.007 ( -0.740 0.501 0.538) 1.043 5.306 ( 2.954 -4.979 -3.105) 6.570 5.306 ( 2.954 4.979 -3.105) 6.570 5.822 ( 5.645 -3.946 1.220) 6.995 5.822 ( 5.645 3.946 1.220) 6.995 6.129 ( -0.261 -1.667 -2.295) 2.849 6.129 ( -0.261 1.667 -2.295) 2.849 6.724 ( -0.283 -2.385 -2.005) 3.129 6.724 ( -0.283 2.385 -2.005) 3.129 7.348 ( 0.102 -4.095 4.577) 6.142 7.348 ( 0.102 4.095 4.577) 6.142 7.659 ( -2.527 -4.984 -5.407) 7.776 7.659 ( -2.527 4.984 -5.407) 7.776 9.321 ( -0.930 -4.683 1.673) 5.059 9.321 ( -0.930 4.683 1.673) 5.059 9.867 ( -3.648 -4.849 4.334) 7.456 9.867 ( -3.648 4.849 4.334) 7.456 10.514 ( 2.876 -7.486 -5.124) 9.516 10.514 ( 2.876 7.486 -5.124) 9.516 10.947 ( -0.381 -2.057 1.859) 2.798 10.947 ( -0.381 2.057 1.859) 2.798 14.134 ( 0.537 -0.336 -0.835) 1.048 14.134 ( 0.537 0.336 -0.835) 1.048 ======================= Grid point 131 (72/100) ======================= q-point: (-0.14 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -6.816 -5.950 -5.676) 10.681 0.659 ( -6.816 5.950 -5.676) 10.681 1.035 ( -3.309 -7.793 4.589) 9.630 1.035 ( -3.309 7.793 4.589) 9.630 1.208 ( -4.272 -3.335 1.426) 5.605 1.208 ( -4.272 3.335 1.426) 5.605 1.313 ( -1.843 -4.901 2.002) 5.606 1.313 ( -1.843 4.901 2.002) 5.606 1.391 ( -6.286 -1.354 1.379) 6.577 1.391 ( -6.286 1.354 1.379) 6.577 1.678 ( -0.805 -6.626 4.958) 8.314 1.678 ( -0.805 6.626 4.958) 8.314 1.792 ( -0.909 -4.155 0.001) 4.253 1.792 ( -0.909 4.155 0.001) 4.253 2.158 ( -0.051 -3.726 -5.410) 6.569 2.158 ( -0.051 3.726 -5.410) 6.569 2.256 ( 3.956 -1.530 5.624) 7.044 2.256 ( 3.956 1.530 5.624) 7.044 2.279 ( -2.967 -3.817 -4.296) 6.467 2.279 ( -2.967 3.817 -4.296) 6.467 2.568 ( 3.460 -0.836 3.337) 4.879 2.568 ( 3.460 0.836 3.337) 4.879 2.832 ( 3.498 -2.194 0.104) 4.130 2.832 ( 3.498 2.194 0.104) 4.130 2.962 ( 1.080 -7.116 -2.011) 7.473 2.962 ( 1.080 7.116 -2.011) 7.473 3.519 ( 2.057 -1.322 -0.580) 2.513 3.519 ( 2.057 1.322 -0.580) 2.513 3.725 ( 0.852 -1.968 -1.994) 2.929 3.725 ( 0.852 1.968 -1.994) 2.929 3.920 ( -0.999 -6.784 0.863) 6.911 3.920 ( -0.999 6.784 0.863) 6.911 4.102 ( -1.315 -2.394 -1.028) 2.919 4.102 ( -1.315 2.394 -1.028) 2.919 4.170 ( 0.718 -3.050 2.853) 4.238 4.170 ( 0.718 3.050 2.853) 4.238 4.999 ( -0.110 -2.181 -0.378) 2.216 4.999 ( -0.110 2.181 -0.378) 2.216 5.316 ( 2.310 -6.219 -3.569) 7.533 5.316 ( 2.310 6.219 -3.569) 7.533 5.961 ( 4.319 -4.720 3.248) 7.174 5.961 ( 4.319 4.720 3.248) 7.174 6.111 ( 1.660 -2.518 -1.009) 3.180 6.111 ( 1.660 2.518 -1.009) 3.180 6.701 ( 0.053 -1.696 -0.534) 1.779 6.701 ( 0.053 1.696 -0.534) 1.779 7.395 ( -2.289 -7.087 2.486) 7.852 7.395 ( -2.289 7.087 2.486) 7.852 7.564 ( 0.411 -2.150 -3.924) 4.494 7.564 ( 0.411 2.150 -3.924) 4.494 9.316 ( -1.404 -4.949 1.732) 5.428 9.316 ( -1.404 4.949 1.732) 5.428 9.849 ( -3.099 -4.845 4.572) 7.347 9.849 ( -3.099 4.845 4.572) 7.347 10.514 ( 2.980 -7.373 -5.212) 9.508 10.514 ( 2.980 7.373 -5.212) 9.508 10.953 ( -0.918 -1.820 1.384) 2.464 10.953 ( -0.918 1.820 1.384) 2.464 14.134 ( 0.472 -0.313 -0.938) 1.095 14.134 ( 0.472 0.313 -0.938) 1.095 ======================= Grid point 147 (73/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -7.674 0.000 5.145) 9.239 0.781 ( 5.398 0.000 -0.213) 5.402 0.967 ( -2.317 0.000 1.330) 2.671 0.973 ( 2.946 0.000 -0.119) 2.949 1.158 ( 4.721 0.000 6.027) 7.655 1.210 ( -8.288 0.000 3.013) 8.818 1.241 ( 6.501 0.000 4.464) 7.886 1.340 ( 2.483 0.000 -3.199) 4.050 1.380 ( 0.139 0.000 1.505) 1.512 1.436 ( -4.030 0.000 -2.671) 4.835 1.701 ( -4.480 0.000 0.803) 4.551 1.731 ( -4.783 0.000 4.595) 6.632 1.779 ( 1.519 0.000 -5.096) 5.318 1.799 ( 4.663 0.000 -1.952) 5.055 2.114 ( 0.781 0.000 6.566) 6.613 2.245 ( -4.406 0.000 2.382) 5.009 2.311 ( 3.319 0.000 -6.170) 7.006 2.325 ( -1.573 0.000 8.268) 8.417 2.344 ( 0.196 0.000 -2.703) 2.710 2.472 ( -0.642 0.000 -5.322) 5.361 2.619 ( -1.242 0.000 8.370) 8.462 2.690 ( -1.792 0.000 0.998) 2.051 2.748 ( 5.664 0.000 4.612) 7.304 2.836 ( -3.921 0.000 -2.495) 4.648 2.868 ( 5.934 0.000 3.983) 7.146 3.030 ( -2.296 0.000 -10.169) 10.425 3.263 ( 0.754 0.000 2.371) 2.488 3.337 ( 0.457 0.000 -4.369) 4.393 3.651 ( -5.761 0.000 5.978) 8.302 3.809 ( 0.701 0.000 -6.436) 6.474 3.843 ( -9.641 0.000 3.781) 10.356 3.899 ( 9.640 0.000 -3.295) 10.187 4.056 ( 0.684 0.000 0.078) 0.688 4.060 ( -1.312 0.000 2.377) 2.715 4.078 ( -0.669 0.000 -0.530) 0.854 4.188 ( 5.006 0.000 -8.992) 10.292 5.067 ( -0.286 0.000 0.571) 0.639 5.079 ( 1.439 0.000 -0.088) 1.442 5.307 ( 2.966 0.000 4.787) 5.631 5.397 ( -2.954 0.000 -3.461) 4.550 5.997 ( -0.986 0.000 3.658) 3.788 6.073 ( 6.926 0.000 -3.263) 7.656 6.162 ( -4.752 0.000 1.912) 5.123 6.206 ( 3.098 0.000 -2.401) 3.920 6.661 ( -12.745 0.000 4.505) 13.518 6.733 ( 11.689 0.000 -2.442) 11.942 7.252 ( 1.978 0.000 6.158) 6.468 7.395 ( -3.763 0.000 -7.401) 8.303 7.509 ( 1.887 0.000 6.102) 6.387 7.640 ( 0.712 0.000 -6.156) 6.197 9.397 ( -5.288 0.000 8.443) 9.962 9.536 ( 1.650 0.000 -4.166) 4.481 9.713 ( -0.465 0.000 0.174) 0.496 9.760 ( 4.622 0.000 -4.962) 6.781 10.521 ( -5.470 0.000 9.544) 11.001 10.695 ( 3.265 0.000 -6.309) 7.104 10.876 ( -0.888 0.000 -0.838) 1.221 10.882 ( 1.166 0.000 -0.679) 1.350 14.111 ( -0.093 0.000 -0.041) 0.102 14.120 ( 0.462 0.000 -0.822) 0.943 ======================= Grid point 148 (74/100) ======================= q-point: ( 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -3.999 0.000 4.551) 6.059 0.851 ( 3.215 0.000 -2.225) 3.910 0.950 ( 0.709 0.000 -0.130) 0.720 1.042 ( 3.665 0.000 -0.550) 3.706 1.103 ( -4.400 0.000 1.723) 4.726 1.211 ( -2.691 0.000 -5.341) 5.981 1.347 ( 2.920 0.000 -1.752) 3.406 1.403 ( 9.487 0.000 -0.622) 9.507 1.411 ( 3.322 0.000 -0.935) 3.451 1.455 ( 2.072 0.000 5.108) 5.512 1.698 ( -1.334 0.000 4.133) 4.343 1.714 ( 0.871 0.000 5.944) 6.007 1.831 ( 6.221 0.000 -2.125) 6.574 1.871 ( 5.870 0.000 -2.238) 6.282 2.162 ( -2.205 0.000 -4.466) 4.981 2.204 ( 0.936 0.000 6.550) 6.616 2.276 ( -4.400 0.000 -2.350) 4.988 2.309 ( -0.782 0.000 -0.285) 0.833 2.410 ( 0.726 0.000 7.680) 7.714 2.431 ( 2.284 0.000 -4.999) 5.496 2.618 ( -5.634 0.000 -1.580) 5.851 2.689 ( 0.696 0.000 5.235) 5.281 2.722 ( -3.761 0.000 -4.362) 5.760 2.877 ( -0.860 0.000 -10.529) 10.564 2.883 ( 3.498 0.000 2.983) 4.597 2.957 ( -2.641 0.000 5.336) 5.954 3.219 ( -5.561 0.000 -2.465) 6.083 3.253 ( -3.372 0.000 2.208) 4.030 3.645 ( -4.924 0.000 10.075) 11.214 3.752 ( -4.340 0.000 2.801) 5.165 3.771 ( 1.003 0.000 -4.362) 4.476 4.002 ( 1.529 0.000 -1.380) 2.060 4.050 ( -1.264 0.000 -0.943) 1.577 4.077 ( 0.495 0.000 1.886) 1.950 4.129 ( 5.481 0.000 0.569) 5.510 4.185 ( 7.393 0.000 -8.956) 11.613 5.059 ( -0.919 0.000 -0.411) 1.007 5.083 ( 0.401 0.000 -1.368) 1.426 5.301 ( -2.804 0.000 -4.007) 4.891 5.411 ( 2.571 0.000 3.491) 4.336 5.933 ( -6.625 0.000 -0.474) 6.642 6.052 ( -1.363 0.000 -6.129) 6.278 6.105 ( -4.301 0.000 2.446) 4.948 6.242 ( 1.203 0.000 -2.098) 2.419 6.487 ( -9.567 0.000 5.109) 10.846 6.908 ( 8.479 0.000 -3.996) 9.373 7.325 ( 4.131 0.000 -3.457) 5.387 7.406 ( 5.030 0.000 7.514) 9.042 7.556 ( -1.331 0.000 -8.031) 8.141 7.593 ( 1.892 0.000 2.777) 3.360 9.401 ( -4.919 0.000 9.942) 11.092 9.549 ( 4.107 0.000 -3.918) 5.676 9.693 ( -0.495 0.000 -1.485) 1.565 9.758 ( 1.015 0.000 -5.106) 5.206 10.523 ( -5.257 0.000 9.734) 11.063 10.692 ( 3.365 0.000 -5.738) 6.652 10.856 ( -0.379 0.000 -0.569) 0.684 10.898 ( 0.961 0.000 -0.186) 0.978 14.110 ( -0.102 0.000 0.082) 0.131 14.120 ( 0.455 0.000 -0.723) 0.854 ======================= Grid point 149 (75/100) ======================= q-point: ( 0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.615 0.000 3.782) 3.831 0.857 ( 0.103 0.000 -2.131) 2.134 1.008 ( 3.607 0.000 1.615) 3.952 1.049 ( -0.522 0.000 -4.336) 4.367 1.077 ( -0.634 0.000 2.786) 2.857 1.165 ( 6.144 0.000 -4.051) 7.359 1.367 ( 0.861 0.000 -1.096) 1.393 1.402 ( -1.442 0.000 -5.496) 5.682 1.536 ( 2.593 0.000 3.257) 4.163 1.565 ( 4.722 0.000 0.939) 4.815 1.726 ( -1.548 0.000 3.877) 4.175 1.815 ( 2.398 0.000 4.897) 5.453 1.939 ( 4.686 0.000 0.575) 4.722 1.990 ( 8.202 0.000 -0.427) 8.213 2.075 ( 0.063 0.000 -7.461) 7.461 2.171 ( -3.632 0.000 -0.623) 3.685 2.264 ( -3.418 0.000 0.294) 3.431 2.281 ( 1.909 0.000 3.106) 3.646 2.400 ( -2.085 0.000 -2.762) 3.460 2.493 ( -4.835 0.000 -5.013) 6.965 2.499 ( 1.867 0.000 4.009) 4.423 2.586 ( -3.987 0.000 -1.949) 4.437 2.689 ( -4.024 0.000 -3.338) 5.228 2.853 ( 8.147 0.000 -7.398) 11.005 2.884 ( -1.379 0.000 -1.334) 1.918 2.959 ( -5.047 0.000 10.198) 11.379 3.173 ( 0.392 0.000 -0.533) 0.662 3.218 ( -2.619 0.000 1.979) 3.283 3.613 ( -10.941 0.000 11.306) 15.733 3.722 ( -3.288 0.000 4.506) 5.578 3.735 ( -0.939 0.000 -2.818) 2.971 3.999 ( 1.494 0.000 -2.670) 3.059 4.021 ( -0.497 0.000 -0.779) 0.924 4.129 ( 2.059 0.000 -7.284) 7.569 4.147 ( 5.609 0.000 1.486) 5.802 4.299 ( 5.482 0.000 -1.425) 5.664 5.023 ( -0.923 0.000 -2.196) 2.382 5.076 ( 0.584 0.000 -1.292) 1.418 5.225 ( -1.942 0.000 -1.995) 2.784 5.449 ( -1.534 0.000 0.131) 1.539 5.829 ( -3.756 0.000 1.384) 4.003 5.973 ( -0.964 0.000 -3.590) 3.717 6.025 ( -4.358 0.000 -0.843) 4.439 6.192 ( -3.195 0.000 -1.211) 3.417 6.424 ( -3.877 0.000 5.176) 6.467 6.936 ( 1.981 0.000 -7.029) 7.303 7.419 ( 2.338 0.000 -6.847) 7.235 7.486 ( 6.634 0.000 -0.426) 6.648 7.542 ( -0.270 0.000 7.965) 7.969 7.635 ( 2.930 0.000 -3.019) 4.207 9.413 ( -5.903 0.000 10.927) 12.420 9.596 ( 5.482 0.000 -4.779) 7.273 9.686 ( 1.879 0.000 -1.772) 2.583 9.710 ( -0.653 0.000 -3.304) 3.368 10.530 ( -5.065 0.000 9.694) 10.938 10.697 ( 3.455 0.000 -5.407) 6.417 10.850 ( 0.256 0.000 -0.311) 0.403 10.907 ( 0.095 0.000 -0.285) 0.300 14.110 ( -0.046 0.000 0.192) 0.198 14.121 ( 0.462 0.000 -0.678) 0.820 ======================= Grid point 150 (76/100) ======================= q-point: ( 0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 3.067 0.000 2.716) 4.096 0.818 ( -2.125 0.000 -1.216) 2.449 1.026 ( 3.290 0.000 -3.379) 4.716 1.065 ( 2.164 0.000 -0.105) 2.166 1.146 ( 0.608 0.000 5.458) 5.492 1.266 ( -3.708 0.000 -2.242) 4.333 1.308 ( 8.028 0.000 -1.699) 8.206 1.345 ( -1.805 0.000 0.269) 1.825 1.566 ( -3.449 0.000 -1.725) 3.857 1.579 ( -4.421 0.000 -1.294) 4.607 1.721 ( -0.284 0.000 7.265) 7.271 1.858 ( -1.378 0.000 1.371) 1.944 1.966 ( 2.788 0.000 -3.620) 4.569 2.075 ( 3.278 0.000 -1.135) 3.469 2.078 ( -0.090 0.000 1.102) 1.106 2.163 ( 0.245 0.000 -4.204) 4.211 2.219 ( -1.915 0.000 0.259) 1.933 2.244 ( -4.194 0.000 -5.676) 7.058 2.353 ( 1.753 0.000 3.121) 3.579 2.444 ( 3.713 0.000 0.360) 3.731 2.514 ( -5.706 0.000 -0.833) 5.767 2.570 ( 0.185 0.000 -2.909) 2.915 2.591 ( 1.540 0.000 4.576) 4.828 2.829 ( -1.548 0.000 -5.332) 5.552 2.931 ( -10.098 0.000 8.712) 13.337 2.970 ( 11.121 0.000 -6.230) 12.747 3.157 ( -1.145 0.000 -0.171) 1.158 3.187 ( -2.053 0.000 0.102) 2.056 3.551 ( -6.855 0.000 11.691) 13.553 3.690 ( -0.386 0.000 -2.258) 2.291 3.726 ( -2.475 0.000 6.699) 7.141 4.004 ( 3.618 0.000 -6.152) 7.137 4.018 ( 0.605 0.000 -0.274) 0.665 4.079 ( 1.811 0.000 -8.473) 8.665 4.291 ( 7.286 0.000 0.435) 7.299 4.330 ( -0.744 0.000 0.089) 0.750 5.016 ( 2.299 0.000 0.360) 2.327 5.085 ( 1.297 0.000 -0.734) 1.490 5.174 ( -2.368 0.000 -0.265) 2.383 5.331 ( -7.254 0.000 -5.341) 9.008 5.829 ( 0.376 0.000 3.278) 3.299 5.934 ( 0.105 0.000 -3.008) 3.010 5.981 ( 0.218 0.000 1.063) 1.085 6.120 ( -2.564 0.000 -2.827) 3.817 6.456 ( -0.443 0.000 9.549) 9.560 6.847 ( -1.516 0.000 -10.555) 10.663 7.390 ( 1.792 0.000 -0.447) 1.846 7.544 ( -3.571 0.000 -0.181) 3.576 7.640 ( -1.067 0.000 0.142) 1.076 7.643 ( 8.272 0.000 -1.984) 8.507 9.416 ( -5.645 0.000 10.418) 11.850 9.620 ( 4.361 0.000 -8.413) 9.476 9.699 ( 1.150 0.000 0.584) 1.290 9.712 ( 1.773 0.000 -0.861) 1.971 10.538 ( -5.051 0.000 9.496) 10.756 10.703 ( 3.182 0.000 -5.269) 6.155 10.859 ( 1.005 0.000 -0.237) 1.033 10.896 ( -0.414 0.000 -0.854) 0.949 14.112 ( 0.020 0.000 0.199) 0.200 14.122 ( 0.467 0.000 -0.728) 0.865 ======================= Grid point 151 (77/100) ======================= q-point: (-0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -3.831 0.000 0.270) 3.841 0.799 ( 1.033 0.000 0.697) 1.246 1.025 ( -5.469 0.000 -2.963) 6.220 1.043 ( -2.404 0.000 0.535) 2.463 1.191 ( 1.484 0.000 4.756) 4.982 1.200 ( 0.270 0.000 0.399) 0.482 1.282 ( -9.703 0.000 1.500) 9.818 1.401 ( -1.638 0.000 -3.819) 4.155 1.510 ( 2.111 0.000 3.307) 3.923 1.533 ( 4.151 0.000 2.889) 5.057 1.823 ( -0.251 0.000 -1.373) 1.395 1.857 ( 4.899 0.000 3.701) 6.140 1.978 ( -6.837 0.000 -7.663) 10.270 2.006 ( 0.093 0.000 4.647) 4.648 2.069 ( -2.228 0.000 0.697) 2.334 2.113 ( 1.436 0.000 0.350) 1.478 2.160 ( -6.181 0.000 2.015) 6.501 2.211 ( -0.012 0.000 1.044) 1.044 2.409 ( -1.701 0.000 -2.397) 2.939 2.474 ( 4.353 0.000 3.630) 5.668 2.513 ( 2.909 0.000 1.155) 3.130 2.517 ( -2.326 0.000 -5.031) 5.542 2.704 ( 3.466 0.000 5.723) 6.691 2.725 ( -2.553 0.000 -7.412) 7.840 2.790 ( -12.897 0.000 10.629) 16.713 3.098 ( 8.325 0.000 -6.484) 10.552 3.162 ( 1.009 0.000 -0.707) 1.232 3.180 ( 3.101 0.000 0.680) 3.175 3.594 ( -0.627 0.000 7.422) 7.448 3.687 ( 2.540 0.000 -2.185) 3.351 3.774 ( -1.812 0.000 9.727) 9.895 3.993 ( 7.635 0.000 -15.284) 17.084 4.031 ( 0.983 0.000 -0.220) 1.007 4.035 ( 0.192 0.000 -2.721) 2.727 4.288 ( -3.927 0.000 0.028) 3.927 4.379 ( 3.289 0.000 -3.255) 4.627 5.052 ( -4.400 0.000 -2.784) 5.206 5.078 ( -0.252 0.000 -0.071) 0.262 5.193 ( 0.019 0.000 -2.059) 2.059 5.199 ( 5.743 0.000 6.695) 8.820 5.875 ( 0.745 0.000 2.498) 2.607 5.901 ( 0.076 0.000 -3.616) 3.617 6.039 ( -1.583 0.000 -4.153) 4.445 6.043 ( 2.966 0.000 3.693) 4.736 6.599 ( 1.992 0.000 12.636) 12.792 6.686 ( -2.098 0.000 -11.500) 11.690 7.436 ( -4.654 0.000 -4.164) 6.245 7.468 ( 3.736 0.000 3.739) 5.286 7.589 ( -6.103 0.000 2.559) 6.618 7.727 ( 4.441 0.000 -4.760) 6.510 9.426 ( -5.064 0.000 10.073) 11.274 9.614 ( 4.758 0.000 -7.887) 9.211 9.717 ( 0.422 0.000 -1.570) 1.626 9.718 ( 0.154 0.000 -1.354) 1.362 10.541 ( -5.415 0.000 9.289) 10.752 10.704 ( 3.028 0.000 -5.437) 6.224 10.880 ( -0.032 0.000 -1.228) 1.228 10.881 ( 1.486 0.000 -0.219) 1.502 14.114 ( 0.035 0.000 0.091) 0.097 14.123 ( 0.452 0.000 -0.842) 0.956 ======================= Grid point 152 (78/100) ======================= q-point: (-0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -3.472 0.000 1.149) 3.657 0.809 ( -0.827 0.000 2.873) 2.990 0.939 ( -3.254 0.000 4.464) 5.524 0.989 ( -4.736 0.000 4.413) 6.474 1.110 ( -7.881 0.000 0.653) 7.908 1.151 ( -3.989 0.000 -4.381) 5.925 1.283 ( 1.117 0.000 5.689) 5.798 1.358 ( -0.155 0.000 -0.177) 0.235 1.567 ( -2.368 0.000 1.636) 2.878 1.569 ( -2.087 0.000 0.109) 2.090 1.807 ( -4.132 0.000 -3.940) 5.710 1.866 ( -8.555 0.000 1.343) 8.660 1.909 ( 6.338 0.000 2.995) 7.009 1.968 ( -4.474 0.000 1.543) 4.732 1.998 ( -4.961 0.000 -1.769) 5.267 2.146 ( 1.646 0.000 2.014) 2.601 2.200 ( 2.745 0.000 8.910) 9.323 2.260 ( 3.722 0.000 1.357) 3.962 2.408 ( -0.157 0.000 0.146) 0.215 2.437 ( 2.639 0.000 -3.173) 4.127 2.523 ( -0.296 0.000 1.318) 1.351 2.617 ( -3.852 0.000 1.748) 4.230 2.618 ( 3.930 0.000 3.434) 5.219 2.697 ( -4.910 0.000 1.299) 5.079 2.810 ( 2.193 0.000 4.182) 4.722 3.135 ( 4.043 0.000 -4.251) 5.867 3.197 ( 2.978 0.000 -4.510) 5.404 3.253 ( 4.250 0.000 -0.993) 4.364 3.657 ( 0.216 0.000 4.454) 4.459 3.726 ( 3.256 0.000 -1.369) 3.532 3.852 ( -1.481 0.000 10.139) 10.247 3.974 ( 6.201 0.000 -14.077) 15.382 4.034 ( 3.484 0.000 -3.536) 4.964 4.050 ( 1.223 0.000 -0.051) 1.224 4.195 ( -2.913 0.000 -3.433) 4.502 4.343 ( -2.966 0.000 -4.403) 5.309 4.975 ( -1.523 0.000 1.604) 2.212 5.057 ( -0.821 0.000 0.478) 0.950 5.210 ( 1.523 0.000 -0.291) 1.550 5.417 ( 7.120 0.000 4.068) 8.201 5.873 ( 1.322 0.000 -2.691) 2.998 5.909 ( 0.330 0.000 2.335) 2.359 6.017 ( 3.544 0.000 -0.864) 3.648 6.138 ( 2.495 0.000 3.470) 4.274 6.570 ( 1.728 0.000 -8.213) 8.393 6.746 ( -0.715 0.000 10.969) 10.992 7.325 ( -4.757 0.000 1.226) 4.913 7.475 ( -7.468 0.000 1.037) 7.539 7.572 ( 2.899 0.000 2.749) 3.995 7.707 ( 0.447 0.000 -7.318) 7.332 9.433 ( -5.610 0.000 9.565) 11.088 9.636 ( 6.976 0.000 -9.190) 11.538 9.671 ( -2.877 0.000 -1.518) 3.253 9.702 ( 0.197 0.000 -1.383) 1.397 10.534 ( -5.737 0.000 9.198) 10.840 10.703 ( 3.389 0.000 -6.032) 6.919 10.871 ( 0.542 0.000 -1.302) 1.410 10.902 ( 0.939 0.000 -0.438) 1.036 14.114 ( 0.007 0.000 -0.040) 0.041 14.122 ( 0.446 0.000 -0.925) 1.027 ======================= Grid point 153 (79/100) ======================= q-point: (-0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 2.057 0.000 1.983) 2.857 0.797 ( -4.442 0.000 1.828) 4.803 0.966 ( -2.155 0.000 1.668) 2.725 0.989 ( -4.543 0.000 10.409) 11.357 1.054 ( 3.602 0.000 3.036) 4.710 1.064 ( -0.996 0.000 1.998) 2.232 1.309 ( -4.890 0.000 5.042) 7.024 1.343 ( -0.312 0.000 -1.336) 1.372 1.460 ( -7.147 0.000 -1.142) 7.238 1.520 ( -2.652 0.000 -1.027) 2.844 1.738 ( -5.959 0.000 5.515) 8.119 1.752 ( 0.522 0.000 -0.334) 0.620 1.846 ( -6.820 0.000 -4.381) 8.106 1.886 ( -3.628 0.000 -4.461) 5.750 2.034 ( 2.254 0.000 4.477) 5.013 2.214 ( 1.744 0.000 3.930) 4.299 2.295 ( 1.169 0.000 1.714) 2.075 2.336 ( 2.923 0.000 -0.870) 3.049 2.362 ( -3.422 0.000 -0.036) 3.422 2.521 ( 0.461 0.000 -2.475) 2.518 2.544 ( 3.646 0.000 3.551) 5.090 2.636 ( -2.261 0.000 7.775) 8.097 2.685 ( -0.564 0.000 3.593) 3.637 2.693 ( 7.555 0.000 0.929) 7.611 2.874 ( 0.378 0.000 2.070) 2.104 3.153 ( 0.078 0.000 -8.616) 8.616 3.189 ( 4.831 0.000 -0.963) 4.926 3.313 ( 4.598 0.000 -3.078) 5.533 3.682 ( -2.163 0.000 3.480) 4.097 3.780 ( 4.242 0.000 -0.861) 4.328 3.904 ( 1.250 0.000 -11.192) 11.261 3.916 ( -2.716 0.000 7.683) 8.149 4.051 ( 0.699 0.000 -1.197) 1.386 4.070 ( 0.333 0.000 0.546) 0.640 4.170 ( 6.274 0.000 -8.288) 10.395 4.177 ( -9.383 0.000 -2.909) 9.823 5.020 ( 2.079 0.000 3.772) 4.307 5.061 ( 0.130 0.000 0.784) 0.795 5.236 ( 1.139 0.000 1.404) 1.807 5.471 ( -0.866 0.000 -2.480) 2.627 5.933 ( 7.152 0.000 -0.448) 7.166 5.948 ( 0.727 0.000 3.629) 3.701 6.136 ( 7.115 0.000 -0.447) 7.129 6.193 ( -0.558 0.000 2.665) 2.723 6.587 ( 7.234 0.000 -4.547) 8.544 6.782 ( -6.418 0.000 7.929) 10.201 7.251 ( -6.841 0.000 4.038) 7.943 7.419 ( 0.198 0.000 4.364) 4.369 7.556 ( -4.213 0.000 -5.951) 7.292 7.658 ( 2.553 0.000 -4.111) 4.839 9.417 ( -6.118 0.000 8.381) 10.377 9.580 ( -1.040 0.000 -5.149) 5.253 9.702 ( 6.337 0.000 -4.440) 7.737 9.706 ( 0.681 0.000 0.135) 0.694 10.525 ( -5.702 0.000 9.300) 10.909 10.701 ( 3.502 0.000 -6.559) 7.435 10.872 ( 0.913 0.000 -1.144) 1.464 10.900 ( -0.449 0.000 -0.849) 0.960 14.113 ( -0.042 0.000 -0.095) 0.103 14.120 ( 0.460 0.000 -0.911) 1.021 ======================= Grid point 154 (80/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -3.963 -3.120 5.702) 7.612 0.742 ( 2.340 -2.521 -0.842) 3.541 0.967 ( 2.319 0.194 2.531) 3.439 1.010 ( 0.171 0.151 -1.324) 1.344 1.129 ( -2.937 -0.745 7.191) 7.803 1.230 ( 3.002 -0.411 -0.356) 3.050 1.254 ( -0.684 3.042 5.075) 5.956 1.327 ( 1.394 -0.981 -1.008) 1.980 1.381 ( 0.912 -0.162 0.813) 1.233 1.444 ( -4.241 0.973 -3.846) 5.807 1.677 ( -4.506 -1.669 4.688) 6.713 1.767 ( -1.711 1.531 -1.176) 2.579 1.789 ( 1.484 0.045 -0.443) 1.549 1.820 ( 3.360 3.200 -4.712) 6.613 2.015 ( -0.935 -6.197 5.704) 8.474 2.172 ( 0.790 -8.257 -7.200) 10.984 2.317 ( 0.058 -0.369 6.287) 6.298 2.328 ( -1.140 3.605 3.641) 5.249 2.414 ( 0.888 2.974 -1.559) 3.473 2.458 ( -0.871 -1.555 -2.340) 2.942 2.649 ( -1.419 2.731 6.152) 6.879 2.701 ( -0.776 1.112 1.261) 1.852 2.725 ( 3.766 -1.202 3.821) 5.498 2.817 ( 1.452 -0.558 -1.738) 2.332 2.892 ( 0.479 0.864 1.998) 2.229 3.014 ( -1.200 -2.193 -8.973) 9.315 3.328 ( 1.023 6.140 1.130) 6.326 3.377 ( -0.532 3.941 -3.159) 5.079 3.669 ( -3.930 1.503 5.148) 6.649 3.785 ( 0.454 -2.428 -4.145) 4.825 3.822 ( -6.977 -1.003 4.528) 8.378 3.922 ( 6.014 1.863 -4.941) 8.003 4.042 ( 0.497 -0.508 -0.013) 0.711 4.056 ( -0.331 -1.081 -1.054) 1.545 4.121 ( -1.153 4.082 2.674) 5.014 4.224 ( 4.037 3.104 -7.156) 8.783 5.036 ( 1.211 -2.286 1.717) 3.105 5.067 ( -0.305 -1.664 -1.413) 2.204 5.292 ( 2.325 -1.503 3.944) 4.819 5.373 ( -2.344 -2.498 -3.648) 5.004 6.009 ( 0.250 1.500 4.825) 5.059 6.099 ( 5.384 2.146 -3.329) 6.684 6.156 ( -4.086 -0.585 2.113) 4.637 6.203 ( 2.939 -0.375 -2.442) 3.839 6.657 ( -10.361 -0.322 3.785) 11.036 6.726 ( 9.460 -0.774 -2.658) 9.857 7.253 ( 0.892 0.265 5.607) 5.684 7.383 ( -3.609 -1.233 -6.680) 7.692 7.519 ( 1.928 1.032 5.077) 5.528 7.633 ( 1.427 -0.688 -5.462) 5.687 9.372 ( -3.787 -2.041 6.653) 7.922 9.482 ( 1.429 -4.620 -3.860) 6.187 9.751 ( -1.072 4.235 2.534) 5.051 9.829 ( 3.427 5.491 -4.672) 7.982 10.479 ( -4.750 -3.797 8.119) 10.144 10.640 ( 3.836 -5.228 -6.801) 9.397 10.889 ( -1.632 2.030 1.343) 2.930 10.921 ( 1.108 2.428 -1.750) 3.191 14.112 ( -0.056 0.091 -0.093) 0.141 14.119 ( 0.424 -0.024 -0.769) 0.878 ======================= Grid point 155 (81/100) ======================= q-point: ( 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -2.968 -2.793 2.803) 4.946 0.823 ( 3.869 -2.149 -1.215) 4.590 0.940 ( -1.379 -1.207 -2.490) 3.091 1.060 ( 3.562 1.074 -0.118) 3.722 1.121 ( -3.602 1.253 5.658) 6.824 1.227 ( -0.306 2.120 -5.153) 5.580 1.335 ( 2.100 -1.038 -1.631) 2.854 1.396 ( 7.044 -0.402 -0.037) 7.055 1.411 ( 4.911 0.035 -0.451) 4.932 1.473 ( 4.135 1.357 4.732) 6.429 1.706 ( -0.383 1.002 6.704) 6.789 1.732 ( 0.749 1.864 2.275) 3.035 1.834 ( 4.279 -3.744 -1.233) 5.818 1.869 ( 5.730 3.036 -4.115) 7.680 2.059 ( -0.050 -5.974 0.344) 5.984 2.145 ( 2.315 -6.699 -0.672) 7.120 2.317 ( -3.100 0.472 -2.589) 4.066 2.330 ( -3.071 3.464 1.412) 4.840 2.402 ( 0.448 -0.538 1.532) 1.685 2.451 ( 1.014 1.160 0.384) 1.588 2.597 ( -6.202 -1.270 -0.549) 6.355 2.720 ( -0.217 2.409 2.577) 3.534 2.748 ( -3.522 2.142 -3.346) 5.310 2.800 ( 1.623 -2.880 -5.698) 6.588 2.902 ( -0.305 -2.220 3.952) 4.543 2.948 ( -1.744 -0.761 -0.366) 1.937 3.278 ( -4.435 5.494 -1.183) 7.159 3.322 ( -3.064 6.484 1.596) 7.347 3.691 ( -3.164 4.371 9.557) 10.975 3.730 ( -5.108 -1.872 2.609) 6.034 3.760 ( 0.756 -1.240 -3.108) 3.430 3.983 ( 1.727 -1.085 -2.470) 3.203 4.046 ( -0.063 -0.566 -0.969) 1.124 4.122 ( 1.872 1.652 1.169) 2.757 4.125 ( 4.370 1.664 1.537) 4.922 4.216 ( 4.267 2.899 -7.741) 9.303 5.031 ( -1.317 -2.428 -1.948) 3.380 5.066 ( 0.586 -1.796 0.602) 1.982 5.289 ( -2.295 -1.261 -3.561) 4.421 5.375 ( 1.833 -3.458 3.173) 5.038 5.949 ( -7.029 1.695 -1.222) 7.333 6.064 ( -2.452 0.897 -3.062) 4.024 6.118 ( -2.807 1.397 -0.120) 3.138 6.232 ( 1.129 -0.992 -2.432) 2.859 6.511 ( -7.938 2.506 4.760) 9.589 6.872 ( 7.321 -3.650 -3.770) 9.007 7.322 ( 3.481 -0.219 -2.239) 4.145 7.376 ( 3.138 -2.464 6.778) 7.865 7.577 ( 0.169 1.525 -5.708) 5.911 7.600 ( 3.159 0.863 0.159) 3.278 9.377 ( -3.853 -2.033 7.415) 8.600 9.482 ( 2.667 -5.179 -3.555) 6.824 9.743 ( -1.675 4.614 1.445) 5.117 9.829 ( 2.139 5.820 -5.033) 7.986 10.479 ( -4.548 -3.961 8.247) 10.217 10.642 ( 3.984 -5.006 -6.588) 9.183 10.875 ( -1.451 2.196 1.716) 3.142 10.929 ( 1.095 2.164 -0.944) 2.602 14.111 ( -0.064 0.107 0.029) 0.128 14.120 ( 0.418 -0.037 -0.668) 0.789 ======================= Grid point 156 (82/100) ======================= q-point: ( 0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 2.576 -1.294 3.263) 4.354 0.857 ( 2.257 -1.188 -1.158) 2.801 0.928 ( 1.122 -2.928 0.224) 3.144 1.085 ( -1.836 0.703 2.987) 3.576 1.141 ( 1.094 5.406 -0.761) 5.568 1.199 ( 4.902 3.252 -3.133) 6.665 1.335 ( 0.058 -1.125 -1.954) 2.256 1.450 ( 1.424 2.193 -4.930) 5.580 1.543 ( 4.364 0.983 1.290) 4.656 1.567 ( 3.200 0.657 2.435) 4.074 1.763 ( -1.321 3.027 4.445) 5.537 1.815 ( 3.122 0.104 3.264) 4.518 1.894 ( 1.856 -3.650 -1.225) 4.274 1.995 ( 10.171 0.470 -0.265) 10.185 2.028 ( 1.636 -3.333 -4.702) 5.991 2.194 ( -1.605 -2.296 -2.349) 3.656 2.223 ( -0.704 -1.449 4.245) 4.541 2.287 ( -2.619 0.882 -0.417) 2.795 2.391 ( -1.516 -0.473 -2.890) 3.297 2.453 ( -1.382 -3.891 -0.832) 4.212 2.507 ( -2.457 0.620 -2.430) 3.511 2.598 ( -3.938 0.862 -0.916) 4.134 2.691 ( -5.129 0.287 -2.332) 5.642 2.790 ( 4.426 -2.325 -6.584) 8.267 2.907 ( -1.687 0.280 2.282) 2.852 2.953 ( -1.710 -2.253 5.138) 5.865 3.228 ( -0.851 6.460 -0.197) 6.519 3.291 ( -1.912 5.922 1.894) 6.505 3.654 ( -7.439 1.511 5.649) 9.462 3.714 ( -4.209 0.171 6.035) 7.360 3.740 ( -1.927 1.640 0.889) 2.682 3.989 ( 2.654 -0.301 -3.245) 4.203 4.033 ( -0.439 0.561 -0.200) 0.740 4.135 ( 1.829 1.774 -3.050) 3.974 4.189 ( 3.400 2.902 -1.502) 4.716 4.274 ( 5.130 -2.534 -2.250) 6.148 4.985 ( -0.551 -2.373 -2.066) 3.194 5.084 ( 0.827 -0.645 0.533) 1.176 5.218 ( -2.004 -0.625 -2.532) 3.289 5.406 ( -1.548 -4.292 0.754) 4.625 5.826 ( -4.510 0.311 0.285) 4.530 5.971 ( -3.425 -0.408 -3.429) 4.864 6.057 ( -2.166 2.842 -0.729) 3.647 6.186 ( -2.091 -0.656 -2.623) 3.418 6.464 ( -3.566 3.975 5.206) 7.458 6.897 ( 1.946 -3.968 -6.101) 7.534 7.402 ( 2.267 -1.408 -3.898) 4.724 7.458 ( 2.968 -2.439 3.728) 5.353 7.564 ( 1.768 1.944 1.536) 3.043 7.652 ( 4.177 1.275 -3.885) 5.845 9.381 ( -4.314 -2.645 7.662) 9.183 9.500 ( 2.945 -6.495 -3.499) 7.943 9.736 ( -0.904 5.022 2.133) 5.531 9.818 ( 2.664 7.283 -4.699) 9.067 10.484 ( -4.362 -4.147 8.302) 10.254 10.647 ( 3.997 -5.008 -6.468) 9.104 10.871 ( -1.040 2.346 1.980) 3.241 10.935 ( 0.490 2.048 -0.851) 2.271 14.111 ( -0.011 0.118 0.135) 0.180 14.121 ( 0.429 -0.042 -0.618) 0.754 ======================= Grid point 157 (83/100) ======================= q-point: ( 0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 4.268 1.159 3.059) 5.378 0.858 ( -1.609 3.396 -0.417) 3.781 0.985 ( 3.478 -1.869 1.586) 4.255 1.104 ( -0.300 -0.405 5.228) 5.252 1.161 ( 0.010 4.315 -3.117) 5.323 1.260 ( 0.568 0.164 -0.226) 0.633 1.319 ( 4.967 1.141 -2.154) 5.533 1.394 ( -1.647 3.720 -1.723) 4.418 1.575 ( -3.507 0.965 -1.696) 4.014 1.593 ( -2.265 1.197 -0.806) 2.686 1.753 ( -1.229 2.336 5.257) 5.882 1.835 ( -1.562 -2.069 -0.409) 2.625 1.913 ( 3.105 -3.538 -1.478) 4.934 2.067 ( 1.914 -0.208 0.684) 2.043 2.119 ( 3.043 1.456 -0.836) 3.475 2.168 ( 1.095 0.642 -3.202) 3.445 2.210 ( -3.329 -0.913 0.295) 3.464 2.253 ( -4.665 1.358 -5.906) 7.648 2.337 ( 4.229 -2.121 2.112) 5.181 2.411 ( 1.622 -2.307 2.391) 3.697 2.502 ( -2.815 -1.538 -0.393) 3.232 2.537 ( -1.585 -3.110 -2.703) 4.415 2.610 ( -0.510 1.795 2.552) 3.161 2.782 ( 1.414 -3.131 -6.463) 7.320 2.899 ( -6.966 -1.987 5.668) 9.198 2.950 ( 3.680 -1.894 -3.176) 5.217 3.232 ( 1.694 7.294 0.174) 7.491 3.279 ( -1.581 6.249 0.651) 6.479 3.587 ( -5.993 2.575 7.678) 10.075 3.690 ( -1.277 0.153 -1.881) 2.278 3.727 ( -3.313 1.147 9.196) 9.842 4.003 ( 3.399 0.197 -5.610) 6.562 4.034 ( 0.858 1.486 -0.429) 1.769 4.099 ( 1.207 1.903 -7.111) 7.459 4.284 ( 5.088 -0.963 0.136) 5.180 4.302 ( 0.114 -2.782 -0.363) 2.808 4.999 ( 3.183 -0.637 1.416) 3.541 5.114 ( 1.766 0.739 0.959) 2.141 5.154 ( -2.535 -0.868 -1.876) 3.271 5.307 ( -6.773 -2.165 -4.176) 8.246 5.801 ( 0.298 -2.640 2.321) 3.528 5.895 ( -1.347 -2.521 -2.275) 3.653 6.035 ( 0.079 3.636 -0.096) 3.638 6.119 ( -1.661 0.079 -3.360) 3.749 6.496 ( -0.230 3.981 8.455) 9.348 6.828 ( -0.908 -1.978 -8.851) 9.114 7.387 ( 1.400 -0.218 -0.361) 1.463 7.501 ( -2.200 -3.599 0.210) 4.223 7.629 ( 0.828 0.077 1.645) 1.843 7.678 ( 4.670 1.545 -4.496) 6.664 9.384 ( -3.940 -2.738 7.563) 8.956 9.509 ( 2.504 -7.061 -4.143) 8.562 9.753 ( -0.438 5.084 2.802) 5.821 9.828 ( 3.023 7.610 -4.018) 9.121 10.491 ( -4.340 -4.256 8.248) 10.246 10.651 ( 3.713 -5.141 -6.421) 9.025 10.877 ( -0.665 2.238 2.128) 3.159 10.930 ( 0.373 2.287 -1.469) 2.744 14.113 ( 0.051 0.116 0.138) 0.188 14.122 ( 0.437 -0.034 -0.665) 0.796 ======================= Grid point 158 (84/100) ======================= q-point: (-0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -4.457 3.039 -1.143) 5.514 0.840 ( 1.962 3.400 1.577) 4.230 1.037 ( -6.111 0.927 -2.411) 6.634 1.060 ( -0.685 2.486 3.579) 4.411 1.184 ( 0.535 -0.172 3.703) 3.746 1.210 ( 0.213 0.995 -1.049) 1.461 1.307 ( -8.591 2.554 0.184) 8.964 1.412 ( -1.186 1.073 -2.959) 3.363 1.531 ( 1.908 1.935 3.261) 4.245 1.543 ( 2.577 0.895 2.463) 3.675 1.782 ( -1.535 -3.785 0.365) 4.101 1.855 ( 4.099 -1.659 -0.830) 4.499 1.967 ( -1.407 -0.215 3.494) 3.773 2.008 ( -1.355 1.634 -5.448) 5.847 2.077 ( -5.536 0.978 2.102) 6.002 2.133 ( -3.091 -0.293 2.938) 4.275 2.181 ( -2.894 0.914 -1.333) 3.315 2.208 ( 2.923 1.327 1.176) 3.418 2.393 ( -1.974 -1.696 -3.168) 4.100 2.451 ( 0.085 -4.420 1.377) 4.630 2.468 ( 1.936 -0.983 3.436) 4.065 2.526 ( 2.717 -1.233 -3.670) 4.730 2.639 ( -2.921 -2.148 5.627) 6.694 2.715 ( 0.364 -0.833 -6.384) 6.448 2.837 ( -4.374 2.463 6.436) 8.162 3.022 ( 7.419 -4.756 -4.478) 9.885 3.243 ( -1.197 7.694 -0.770) 7.825 3.289 ( 3.586 6.771 -0.374) 7.671 3.609 ( -0.409 1.586 6.242) 6.453 3.667 ( 0.901 -1.534 -1.066) 2.074 3.791 ( -0.983 1.629 9.509) 9.698 3.992 ( 5.323 -0.093 -10.887) 12.119 4.048 ( 1.741 2.183 -1.558) 3.197 4.058 ( 0.446 1.811 -3.247) 3.745 4.269 ( -3.295 -1.965 0.596) 3.882 4.345 ( 2.288 -3.264 -2.938) 4.952 5.056 ( -4.919 0.165 -3.398) 5.981 5.107 ( 1.571 2.438 0.789) 3.005 5.143 ( -1.109 -3.411 1.401) 3.850 5.217 ( 6.028 1.011 2.302) 6.531 5.834 ( -0.812 -3.906 0.438) 4.014 5.876 ( 2.589 -2.833 -1.301) 4.052 6.050 ( -0.215 1.550 0.139) 1.571 6.069 ( 1.078 2.156 -1.067) 2.636 6.621 ( 1.750 2.173 10.415) 10.782 6.695 ( -1.695 0.830 -9.870) 10.048 7.416 ( -4.273 -1.760 -2.468) 5.239 7.456 ( 3.461 -1.211 2.864) 4.653 7.596 ( -5.351 0.728 2.407) 5.913 7.719 ( 3.471 -0.965 -5.027) 6.185 9.392 ( -3.700 -2.907 7.037) 8.465 9.514 ( 3.141 -6.866 -4.625) 8.854 9.761 ( -1.868 5.012 2.114) 5.751 9.832 ( 2.011 7.297 -4.400) 8.754 10.494 ( -4.635 -4.202 8.113) 10.245 10.649 ( 3.452 -5.251 -6.455) 9.009 10.890 ( -0.463 2.100 1.962) 2.911 10.925 ( 1.141 2.498 -1.903) 3.341 14.115 ( 0.062 0.103 0.029) 0.124 14.122 ( 0.423 -0.021 -0.779) 0.886 ======================= Grid point 159 (85/100) ======================= q-point: (-0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -5.714 -0.430 -0.286) 5.738 0.858 ( -1.341 2.515 -0.212) 2.858 0.929 ( -4.375 0.189 1.425) 4.605 1.050 ( -4.989 5.730 6.623) 10.079 1.105 ( -4.144 0.909 0.037) 4.243 1.190 ( -4.075 3.456 -1.950) 5.688 1.290 ( 1.602 0.814 3.992) 4.378 1.360 ( -1.735 0.313 1.404) 2.254 1.552 ( -3.794 -0.334 0.741) 3.880 1.592 ( -1.400 0.425 0.500) 1.546 1.797 ( -3.360 -2.106 0.068) 3.966 1.823 ( -2.225 -2.401 3.478) 4.776 1.924 ( -5.174 1.603 -0.155) 5.419 1.952 ( -0.323 -2.964 -3.604) 4.677 2.000 ( -4.485 1.429 0.543) 4.738 2.146 ( -0.261 -0.916 4.559) 4.657 2.185 ( 3.050 -1.092 5.152) 6.086 2.275 ( 2.941 0.406 1.105) 3.168 2.401 ( -3.024 -1.714 -1.359) 3.732 2.418 ( 6.072 0.081 -0.617) 6.104 2.487 ( -0.360 -4.048 -0.325) 4.077 2.580 ( 0.188 -2.717 2.817) 3.919 2.632 ( -0.653 2.366 4.976) 5.548 2.704 ( 2.341 1.855 -2.355) 3.804 2.856 ( -0.479 2.764 3.979) 4.868 3.102 ( 6.250 -5.515 -5.916) 10.221 3.238 ( 1.675 8.011 -1.242) 8.278 3.336 ( 3.031 5.655 -2.237) 6.795 3.669 ( 0.533 1.219 3.817) 4.042 3.694 ( 2.153 -2.658 0.149) 3.423 3.872 ( -0.480 1.545 7.539) 7.710 3.976 ( 3.733 0.127 -9.852) 10.536 4.044 ( 0.568 0.582 -1.150) 1.408 4.077 ( 3.691 3.107 -2.392) 5.385 4.201 ( -1.946 0.329 -2.096) 2.879 4.307 ( -2.837 -3.467 -3.680) 5.797 4.960 ( -1.859 -0.354 -0.162) 1.899 5.085 ( -1.099 0.924 0.456) 1.507 5.186 ( 1.881 -1.704 0.562) 2.600 5.399 ( 6.361 -1.869 1.985) 6.921 5.837 ( 2.157 -2.768 -0.177) 3.513 5.918 ( 2.681 0.960 0.639) 2.918 6.050 ( 2.044 2.367 -0.201) 3.133 6.126 ( 2.130 -1.014 2.718) 3.599 6.593 ( 1.371 2.213 -6.894) 7.369 6.742 ( -0.621 -0.458 8.484) 8.519 7.328 ( -4.057 0.528 1.921) 4.520 7.484 ( -5.499 0.946 -0.051) 5.580 7.566 ( 2.017 -0.856 3.569) 4.188 7.682 ( -0.714 -2.380 -6.756) 7.199 9.390 ( -4.003 -3.384 6.194) 8.115 9.526 ( 3.230 -7.068 -5.124) 9.308 9.733 ( -3.087 5.815 2.612) 7.083 9.816 ( 1.899 7.107 -4.849) 8.811 10.491 ( -4.908 -3.985 8.013) 10.207 10.645 ( 3.566 -5.375 -6.644) 9.260 10.898 ( -0.168 2.403 0.717) 2.513 10.930 ( 1.079 2.160 -1.407) 2.795 14.115 ( 0.034 0.088 -0.099) 0.137 14.121 ( 0.414 -0.011 -0.865) 0.959 ======================= Grid point 160 (86/100) ======================= q-point: (-0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -0.651 -5.043 2.474) 5.655 0.787 ( -4.354 -1.763 0.717) 4.752 0.915 ( -0.390 -1.771 3.353) 3.812 1.050 ( -3.539 0.036 0.950) 3.665 1.071 ( -2.867 6.422 7.243) 10.096 1.141 ( 1.105 6.087 3.223) 6.975 1.315 ( -3.724 0.565 3.302) 5.009 1.337 ( -1.104 -0.655 -0.176) 1.296 1.446 ( -6.629 -0.932 -1.197) 6.800 1.534 ( -3.031 0.150 -1.167) 3.251 1.730 ( -4.725 -0.441 6.229) 7.831 1.781 ( -1.295 2.955 -0.089) 3.228 1.820 ( -5.836 -2.324 -4.255) 7.587 1.888 ( -2.416 -1.184 -2.529) 3.692 1.986 ( 1.134 -2.445 0.287) 2.710 2.209 ( 0.716 -3.313 2.530) 4.230 2.263 ( 1.623 -2.653 0.492) 3.149 2.326 ( -2.073 -0.359 -0.419) 2.145 2.367 ( 3.418 0.833 2.029) 4.061 2.472 ( -0.029 -4.876 1.264) 5.038 2.567 ( 5.588 2.254 2.394) 6.484 2.624 ( -1.473 0.866 7.826) 8.011 2.704 ( 6.393 1.795 0.027) 6.640 2.720 ( -0.626 2.217 1.181) 2.589 2.891 ( 0.004 0.924 2.246) 2.429 3.105 ( 2.203 -4.537 -8.624) 9.991 3.274 ( 3.574 7.641 -1.136) 8.512 3.369 ( 3.356 5.216 -2.700) 6.765 3.692 ( -2.010 0.809 2.943) 3.654 3.750 ( 3.369 -2.512 0.741) 4.268 3.893 ( -2.159 -1.171 -4.308) 4.959 3.933 ( 0.849 1.542 -0.362) 1.797 4.044 ( 0.321 -0.209 -0.723) 0.819 4.108 ( 0.172 3.314 1.468) 3.629 4.156 ( -7.757 -1.959 -2.444) 8.365 4.206 ( 5.075 2.950 -6.466) 8.733 4.979 ( 1.551 -2.104 2.788) 3.822 5.080 ( 0.002 -0.294 -0.372) 0.474 5.226 ( 1.376 -0.604 2.008) 2.508 5.440 ( -0.220 -3.389 -3.106) 4.603 5.904 ( 4.101 0.026 2.721) 4.921 6.004 ( 4.322 3.056 1.411) 5.478 6.133 ( 5.800 -0.277 -0.067) 5.807 6.179 ( 0.102 -1.519 2.427) 2.865 6.605 ( 5.815 1.692 -4.013) 7.265 6.767 ( -5.160 -1.512 6.068) 8.108 7.266 ( -6.375 1.662 3.463) 7.443 7.436 ( 0.449 1.697 3.235) 3.681 7.546 ( -4.954 -1.358 -5.910) 7.830 7.634 ( 2.764 -2.268 -2.293) 4.248 9.378 ( -4.119 -2.973 6.190) 8.008 9.509 ( 1.050 -5.889 -5.000) 7.797 9.730 ( -0.809 5.207 3.660) 6.416 9.813 ( 3.175 6.465 -4.557) 8.523 10.483 ( -4.923 -3.792 8.020) 10.146 10.642 ( 3.761 -5.428 -6.861) 9.523 10.899 ( -0.461 2.365 0.487) 2.458 10.927 ( 0.383 2.156 -1.639) 2.735 14.114 ( -0.010 0.082 -0.148) 0.170 14.120 ( 0.424 -0.012 -0.856) 0.955 ======================= Grid point 161 (87/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 2.895 0.117 6.291) 6.926 0.710 ( -0.258 -1.510 0.284) 1.558 0.950 ( 3.178 -0.926 -0.722) 3.388 1.003 ( -3.141 -0.218 -1.891) 3.673 1.124 ( -5.840 0.431 6.738) 8.927 1.242 ( 1.536 1.677 -1.763) 2.878 1.273 ( -1.783 -2.151 3.375) 4.382 1.328 ( 2.969 -0.047 -1.363) 3.268 1.386 ( 0.447 2.252 3.773) 4.416 1.471 ( -2.801 1.276 -2.065) 3.707 1.635 ( -1.874 -2.390 1.875) 3.569 1.726 ( 1.012 -4.525 -4.236) 6.280 1.821 ( -2.076 1.726 1.100) 2.916 1.851 ( 1.708 -0.611 0.461) 1.872 1.973 ( 1.092 1.809 -1.025) 2.349 2.043 ( 0.307 -4.367 -5.487) 7.020 2.316 ( 1.221 0.726 7.005) 7.147 2.371 ( 0.879 0.856 2.784) 3.042 2.423 ( -1.583 -1.360 1.332) 2.476 2.439 ( 1.387 -0.677 0.056) 1.544 2.702 ( -3.215 2.994 1.600) 4.675 2.721 ( 4.813 1.292 -0.711) 5.034 2.733 ( -0.830 1.222 3.933) 4.201 2.819 ( 0.958 0.349 -2.216) 2.440 2.891 ( 0.593 -0.690 0.089) 0.914 2.949 ( -0.892 -4.152 -5.947) 7.308 3.451 ( 1.336 5.897 -0.134) 6.048 3.462 ( -2.073 4.475 -1.110) 5.055 3.677 ( -1.488 -0.885 2.136) 2.750 3.728 ( 0.656 -3.405 -2.362) 4.195 3.847 ( -5.177 3.807 5.154) 8.237 3.953 ( 3.200 0.810 -4.488) 5.571 4.030 ( -0.246 -0.930 -0.352) 1.024 4.036 ( 0.277 -0.704 -0.902) 1.177 4.205 ( -0.770 4.397 3.019) 5.389 4.274 ( 2.151 1.606 -3.316) 4.266 5.002 ( 1.145 -1.090 1.373) 2.094 5.027 ( -0.637 -2.141 -1.149) 2.512 5.262 ( 1.160 -1.256 1.681) 2.398 5.313 ( -1.091 -3.524 -3.159) 4.857 6.052 ( 0.152 2.868 5.197) 5.937 6.130 ( -0.145 0.093 -0.521) 0.549 6.147 ( 1.530 0.458 0.591) 1.703 6.191 ( 3.264 -0.957 -2.183) 4.042 6.655 ( -5.267 0.251 1.434) 5.465 6.703 ( 4.741 -1.623 -2.790) 5.735 7.268 ( -1.237 1.353 3.843) 4.258 7.349 ( -3.503 -2.332 -3.599) 5.537 7.546 ( 2.460 1.812 2.112) 3.714 7.614 ( 2.508 -1.364 -3.784) 4.741 9.341 ( -1.761 -0.909 3.745) 4.237 9.398 ( 0.672 -3.903 -1.779) 4.342 9.849 ( -2.300 5.560 4.190) 7.332 9.923 ( 1.573 3.582 -2.121) 4.450 10.412 ( -2.327 -2.332 3.837) 5.057 10.525 ( 3.668 -6.447 -6.252) 9.701 10.931 ( -1.478 2.109 1.371) 2.918 10.955 ( 0.448 1.063 -0.906) 1.467 14.114 ( 0.044 0.133 -0.233) 0.272 14.119 ( 0.321 -0.067 -0.624) 0.705 ======================= Grid point 162 (88/100) ======================= q-point: ( 0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -2.165 0.625 -1.499) 2.706 0.754 ( 0.851 -5.528 -3.479) 6.587 0.951 ( 1.193 3.102 0.270) 3.334 1.065 ( 3.054 -0.796 2.732) 4.174 1.152 ( -0.632 2.968 7.500) 8.091 1.275 ( 3.870 1.865 -3.418) 5.489 1.303 ( 0.369 -2.482 0.531) 2.565 1.380 ( 5.286 -2.464 -2.401) 6.307 1.421 ( 4.333 2.058 0.299) 4.806 1.495 ( 3.998 0.637 4.230) 5.855 1.704 ( 3.503 -2.061 3.005) 5.054 1.748 ( 6.484 -2.109 -1.510) 6.983 1.801 ( -1.092 3.506 2.962) 4.718 1.912 ( 4.928 0.369 -2.594) 5.581 1.989 ( 0.841 -1.418 -1.816) 2.453 2.024 ( 1.992 -4.667 -0.047) 5.075 2.321 ( -3.600 0.297 -3.045) 4.724 2.363 ( -3.356 -0.377 -1.621) 3.746 2.399 ( -0.796 0.426 1.241) 1.535 2.448 ( -0.798 -1.482 -0.757) 1.846 2.618 ( -4.446 3.799 1.379) 6.008 2.748 ( -4.009 0.285 -1.755) 4.386 2.771 ( 0.000 0.602 -2.804) 2.868 2.791 ( 0.554 0.253 -2.208) 2.290 2.849 ( -1.145 -2.063 3.529) 4.245 2.911 ( -1.332 -2.874 -0.028) 3.168 3.393 ( -3.379 6.129 0.400) 7.010 3.451 ( -2.103 5.847 1.022) 6.297 3.675 ( -3.429 -2.591 2.221) 4.838 3.723 ( 0.261 -2.614 -1.226) 2.899 3.807 ( -2.417 6.374 6.308) 9.288 3.962 ( 1.484 -1.542 -2.218) 3.083 4.043 ( 0.570 0.408 -0.259) 0.747 4.095 ( 6.029 -1.812 -0.293) 6.302 4.210 ( -1.223 4.452 1.655) 4.905 4.267 ( 1.544 1.952 -4.271) 4.944 4.992 ( -1.449 -1.261 -1.518) 2.449 5.025 ( 0.319 -2.250 0.963) 2.468 5.259 ( -1.433 -1.504 -2.311) 3.107 5.301 ( 0.529 -3.851 1.832) 4.297 5.992 ( -7.157 2.686 -1.055) 7.717 6.069 ( -4.971 -0.655 0.212) 5.019 6.151 ( -0.180 1.845 -3.436) 3.904 6.209 ( 1.051 -1.392 -3.300) 3.732 6.577 ( -3.932 4.390 3.117) 6.667 6.782 ( 4.468 -5.661 -2.496) 7.632 7.317 ( 2.054 -0.260 0.722) 2.193 7.334 ( 1.435 -1.648 5.915) 6.306 7.600 ( 2.394 1.047 -3.398) 4.287 7.618 ( 4.348 0.602 -3.996) 5.936 9.344 ( -2.174 -1.092 3.601) 4.346 9.394 ( 0.913 -3.860 -1.759) 4.339 9.845 ( -2.523 5.697 3.765) 7.279 9.927 ( 1.350 3.561 -2.254) 4.425 10.411 ( -2.189 -2.282 3.859) 4.989 10.528 ( 3.777 -6.449 -6.171) 9.692 10.922 ( -1.365 2.408 1.979) 3.403 10.958 ( 0.445 0.770 -0.252) 0.924 14.113 ( 0.040 0.160 -0.115) 0.201 14.118 ( 0.318 -0.090 -0.518) 0.614 ======================= Grid point 163 (89/100) ======================= q-point: ( 0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 5.682 0.360 2.199) 6.103 0.769 ( 4.957 -6.034 -0.659) 7.837 0.967 ( -0.551 4.889 2.619) 5.574 1.091 ( -3.157 -0.315 4.502) 5.507 1.236 ( 1.400 4.723 0.243) 4.932 1.265 ( 3.144 3.249 -1.088) 4.651 1.330 ( 0.892 0.174 -0.456) 1.017 1.436 ( 3.047 -3.790 -2.610) 5.519 1.569 ( 6.410 1.504 -0.032) 6.584 1.595 ( 3.729 1.374 -0.561) 4.014 1.782 ( 0.848 -0.944 1.982) 2.353 1.817 ( 2.048 0.232 1.271) 2.422 1.894 ( 2.137 3.917 -0.587) 4.501 1.963 ( 5.120 -1.626 -4.584) 7.062 2.015 ( 8.544 0.461 -0.910) 8.605 2.095 ( 0.709 -5.878 4.456) 7.410 2.213 ( -1.740 -0.910 -2.245) 2.982 2.277 ( -3.061 -2.986 -2.876) 5.154 2.385 ( -1.891 -0.393 -2.079) 2.838 2.389 ( 0.473 -1.429 0.226) 1.522 2.530 ( -6.653 1.928 -4.520) 8.272 2.599 ( -5.487 -0.793 -2.370) 6.029 2.717 ( -3.657 2.538 0.382) 4.467 2.779 ( 1.060 0.290 -3.932) 4.083 2.883 ( -2.715 -2.365 5.415) 6.503 2.907 ( 1.081 -2.082 -0.103) 2.348 3.355 ( -1.635 6.215 0.945) 6.495 3.415 ( -2.646 6.319 1.470) 7.006 3.619 ( -3.892 -2.847 2.030) 5.232 3.690 ( -2.765 -2.764 0.969) 4.028 3.849 ( -2.797 7.219 6.734) 10.261 3.988 ( 3.366 -0.324 -2.548) 4.234 4.050 ( 0.583 1.751 0.191) 1.855 4.176 ( 1.728 -0.026 -0.849) 1.925 4.207 ( 0.765 -0.545 0.173) 0.955 4.246 ( 1.748 0.956 -4.555) 4.971 4.963 ( 0.096 0.253 -0.328) 0.425 5.046 ( 0.881 -2.897 1.148) 3.239 5.207 ( -1.728 -0.171 -1.857) 2.543 5.309 ( -1.304 -5.358 0.956) 5.597 5.852 ( -5.995 2.383 -1.282) 6.577 5.950 ( -5.660 -1.883 -2.212) 6.362 6.111 ( -0.432 2.550 -1.936) 3.230 6.170 ( -0.351 -0.947 -3.988) 4.114 6.560 ( -2.054 5.971 3.673) 7.305 6.799 ( 1.446 -6.077 -3.394) 7.109 7.380 ( 1.439 -0.719 0.132) 1.614 7.411 ( 0.548 -2.322 5.227) 5.746 7.606 ( 3.436 2.399 -3.423) 5.411 7.666 ( 4.891 -0.075 -4.958) 6.965 9.339 ( -2.261 -1.397 3.487) 4.385 9.394 ( 0.917 -4.482 -1.480) 4.808 9.846 ( -1.856 6.135 4.417) 7.784 9.933 ( 1.959 4.035 -2.166) 4.981 10.412 ( -2.142 -2.413 4.015) 5.151 10.533 ( 3.709 -6.553 -6.165) 9.732 10.921 ( -1.170 2.543 2.245) 3.589 10.962 ( 0.129 0.651 -0.116) 0.674 14.114 ( 0.085 0.177 -0.022) 0.197 14.119 ( 0.339 -0.100 -0.456) 0.577 ======================= Grid point 164 (90/100) ======================= q-point: ( 0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 5.645 1.888 3.607) 6.961 0.875 ( 2.786 -2.093 1.519) 3.801 1.005 ( 0.908 3.873 5.050) 6.429 1.090 ( -2.398 -0.448 5.948) 6.429 1.250 ( -0.890 3.796 -3.508) 5.245 1.279 ( -0.187 1.500 -0.951) 1.786 1.348 ( 4.713 2.153 -0.828) 5.248 1.451 ( 0.375 1.175 -2.291) 2.601 1.597 ( -1.514 1.225 -2.297) 3.012 1.609 ( -0.603 0.306 0.182) 0.700 1.738 ( -3.986 -1.721 -1.805) 4.702 1.813 ( -0.040 -2.812 -5.501) 6.179 1.910 ( 0.779 4.755 4.695) 6.728 2.058 ( 2.945 -0.542 1.867) 3.529 2.108 ( 3.133 -2.356 1.696) 4.271 2.178 ( 0.196 0.425 -3.393) 3.425 2.196 ( 1.729 -1.283 -2.888) 3.602 2.261 ( 7.259 -2.641 -1.103) 7.803 2.309 ( -8.044 2.064 -2.083) 8.562 2.386 ( -0.684 -0.697 0.953) 1.364 2.454 ( 3.293 -3.026 0.393) 4.490 2.477 ( -4.798 -2.644 -1.583) 5.703 2.658 ( -2.811 3.009 1.004) 4.238 2.742 ( -0.041 -1.578 -4.878) 5.127 2.870 ( -3.105 -0.497 3.509) 4.711 2.919 ( 1.601 -1.754 -1.807) 2.984 3.352 ( 0.390 4.714 0.960) 4.826 3.390 ( -1.476 5.021 0.588) 5.267 3.593 ( -1.406 -0.807 3.260) 3.641 3.671 ( -0.181 -2.288 0.113) 2.298 3.828 ( -6.169 8.000 7.562) 12.619 4.003 ( 1.945 -0.653 -4.303) 4.767 4.075 ( 1.769 2.907 -0.109) 3.405 4.144 ( -0.741 2.899 -3.713) 4.769 4.226 ( -0.190 -4.374 1.038) 4.499 4.261 ( 2.720 -2.101 -2.013) 3.983 5.003 ( 2.967 0.860 2.292) 3.846 5.074 ( 0.180 -3.108 1.076) 3.294 5.172 ( 0.592 1.555 -1.272) 2.094 5.264 ( -3.783 -2.388 -1.281) 4.653 5.760 ( -1.444 -1.015 -0.971) 2.015 5.837 ( -3.815 -3.661 -2.560) 5.874 6.096 ( 0.101 2.584 -0.774) 2.699 6.127 ( -0.123 0.551 -3.065) 3.117 6.590 ( 0.433 5.537 5.122) 7.555 6.775 ( 0.294 -3.704 -4.685) 5.979 7.384 ( 0.226 0.050 0.469) 0.523 7.435 ( -2.063 -2.996 1.650) 3.994 7.640 ( 1.330 1.111 -0.909) 1.957 7.688 ( 3.658 -0.443 -5.199) 6.372 9.339 ( -1.827 -1.566 3.706) 4.419 9.395 ( 1.023 -4.800 -1.620) 5.168 9.865 ( -1.687 6.263 4.791) 8.064 9.949 ( 1.974 4.386 -2.149) 5.268 10.415 ( -2.189 -2.693 4.196) 5.445 10.535 ( 3.499 -6.668 -6.213) 9.762 10.925 ( -0.913 2.423 2.205) 3.401 10.961 ( 0.123 0.830 -0.520) 0.987 14.116 ( 0.133 0.171 -0.030) 0.219 14.121 ( 0.356 -0.089 -0.493) 0.614 ======================= Grid point 165 (91/100) ======================= q-point: (-0.43 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -4.214 2.405 -2.162) 5.312 0.885 ( 1.406 0.931 0.927) 1.924 1.074 ( -4.591 2.685 0.920) 5.397 1.109 ( 1.126 1.791 7.240) 7.543 1.201 ( -1.617 1.925 -1.071) 2.732 1.232 ( 1.624 0.994 -0.804) 2.067 1.372 ( -6.527 4.056 -1.594) 7.849 1.435 ( -0.929 1.087 -0.702) 1.592 1.563 ( -1.197 1.313 1.365) 2.241 1.571 ( 0.479 2.100 2.318) 3.164 1.702 ( -1.344 -4.051 1.469) 4.514 1.776 ( 2.992 -5.780 -3.289) 7.292 2.004 ( 1.404 3.342 6.611) 7.540 2.057 ( -2.770 2.760 -6.545) 7.624 2.085 ( -7.059 -0.103 0.926) 7.120 2.124 ( -2.419 -0.253 2.192) 3.274 2.151 ( -2.816 -2.214 0.205) 3.588 2.256 ( -2.307 0.481 -0.199) 2.365 2.326 ( 4.537 -3.442 -2.044) 6.050 2.388 ( 3.312 -2.514 -0.185) 4.162 2.449 ( -1.097 -0.446 1.153) 1.653 2.485 ( 0.901 -2.136 -1.524) 2.774 2.653 ( -0.094 2.514 2.654) 3.657 2.710 ( 2.387 0.133 -3.420) 4.173 2.869 ( -0.466 1.159 2.650) 2.930 2.944 ( 4.258 -3.528 -3.166) 6.372 3.372 ( 0.109 4.931 -0.747) 4.988 3.391 ( 2.616 3.611 0.435) 4.480 3.635 ( 1.307 0.384 2.761) 3.079 3.654 ( 0.207 0.481 -2.206) 2.268 3.843 ( -1.973 4.357 9.391) 10.539 3.986 ( 2.611 -1.013 -5.679) 6.332 4.094 ( -0.136 2.532 -1.465) 2.929 4.110 ( 0.969 3.644 -1.017) 3.906 4.218 ( -2.260 -3.257 1.705) 4.315 4.271 ( 0.599 -4.408 -2.381) 5.046 5.046 ( -2.969 -1.035 -1.028) 3.308 5.072 ( -0.081 -3.148 1.521) 3.497 5.172 ( -1.217 3.644 -1.561) 4.147 5.242 ( 6.111 1.086 0.493) 6.227 5.758 ( -0.708 -3.289 -0.767) 3.451 5.804 ( 4.607 -4.318 0.324) 6.323 6.089 ( -0.583 2.134 -0.139) 2.217 6.107 ( 0.706 1.508 -1.334) 2.134 6.668 ( 1.211 2.518 5.096) 5.812 6.709 ( -0.747 0.447 -5.939) 6.003 7.388 ( -3.091 -0.783 0.360) 3.209 7.426 ( 2.259 -1.871 2.401) 3.791 7.615 ( -3.444 1.357 0.546) 3.741 7.690 ( 1.422 -2.055 -4.585) 5.222 9.344 ( -1.811 -1.702 3.249) 4.091 9.400 ( 1.541 -4.869 -1.955) 5.469 9.872 ( -2.939 6.252 4.419) 8.201 9.951 ( 0.853 4.503 -2.622) 5.280 10.418 ( -2.331 -2.847 4.236) 5.611 10.532 ( 3.329 -6.661 -6.246) 9.719 10.934 ( -0.527 2.190 1.909) 2.953 10.960 ( 0.626 1.069 -0.902) 1.533 14.117 ( 0.136 0.148 -0.140) 0.245 14.122 ( 0.344 -0.066 -0.606) 0.700 ======================= Grid point 166 (92/100) ======================= q-point: (-0.29 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -7.979 1.822 -3.510) 8.905 0.826 ( -5.390 -4.101 -4.088) 7.911 1.003 ( -4.017 5.918 -0.092) 7.153 1.117 ( -1.735 1.575 2.102) 3.148 1.190 ( -1.058 6.052 3.126) 6.893 1.269 ( -3.169 4.268 -0.526) 5.342 1.310 ( 2.386 1.177 2.492) 3.646 1.369 ( -4.161 0.247 1.667) 4.489 1.542 ( -4.417 -0.777 1.932) 4.883 1.576 ( -3.528 -1.993 1.825) 4.444 1.741 ( -1.077 -1.788 4.093) 4.594 1.807 ( 0.492 -1.292 2.751) 3.079 1.864 ( -8.838 -3.283 0.697) 9.453 1.979 ( -7.994 0.157 -0.663) 8.023 2.006 ( -0.970 0.880 -4.333) 4.526 2.139 ( 2.058 1.397 5.357) 5.906 2.151 ( 2.051 -2.722 -1.196) 3.612 2.255 ( 3.080 -2.434 1.639) 4.254 2.365 ( -4.036 -1.564 -2.076) 4.800 2.396 ( -2.726 -3.093 -0.710) 4.184 2.461 ( 7.718 2.290 1.125) 8.129 2.539 ( 3.984 -1.622 3.221) 5.374 2.701 ( 1.685 4.196 2.694) 5.264 2.749 ( 3.655 2.266 -1.683) 4.618 2.890 ( -0.193 0.967 1.431) 1.738 2.994 ( 4.731 -5.530 -4.584) 8.601 3.384 ( 2.350 6.291 -1.682) 6.923 3.442 ( 2.961 4.800 -0.965) 5.722 3.650 ( 2.093 -1.302 -0.962) 2.646 3.690 ( 1.623 0.282 0.853) 1.855 3.903 ( -1.458 2.115 5.695) 6.248 3.978 ( 1.276 -0.107 -4.232) 4.422 4.066 ( -0.422 1.944 -1.485) 2.482 4.141 ( 1.552 3.246 1.343) 3.840 4.187 ( -1.755 -2.529 0.148) 3.081 4.238 ( -1.113 -2.965 -1.748) 3.617 4.974 ( -1.939 1.531 -1.378) 2.829 5.058 ( -1.122 -2.919 0.222) 3.135 5.184 ( 1.934 1.648 0.149) 2.546 5.340 ( 3.711 -4.560 -1.774) 6.141 5.815 ( 5.739 0.926 2.311) 6.255 5.916 ( 6.040 -1.711 0.739) 6.321 6.085 ( 0.046 1.394 1.217) 1.851 6.114 ( 0.464 -0.134 0.402) 0.628 6.643 ( 0.574 2.808 -4.152) 5.045 6.726 ( -0.385 -1.307 3.335) 3.603 7.355 ( -1.965 2.532 2.389) 3.997 7.492 ( 2.199 -1.750 -1.904) 3.394 7.546 ( -4.317 0.257 3.837) 5.781 7.632 ( -2.799 -2.717 -3.933) 5.539 9.339 ( -1.976 -1.560 2.801) 3.767 9.408 ( 1.437 -5.160 -2.142) 5.769 9.854 ( -3.687 6.471 4.536) 8.720 9.931 ( 0.456 4.407 -2.838) 5.262 10.418 ( -2.432 -2.722 4.117) 5.502 10.528 ( 3.342 -6.563 -6.271) 9.673 10.943 ( -0.336 2.053 1.086) 2.347 10.963 ( 0.659 1.110 -0.929) 1.591 14.117 ( 0.110 0.124 -0.259) 0.308 14.121 ( 0.329 -0.047 -0.701) 0.776 ======================= Grid point 167 (93/100) ======================= q-point: (-0.14 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -2.836 -1.443 1.349) 3.456 0.702 ( -2.296 -6.489 -0.550) 6.905 0.965 ( -1.349 6.535 2.861) 7.260 1.084 ( -6.362 3.017 -0.974) 7.108 1.179 ( -2.632 4.280 4.112) 6.493 1.235 ( -0.403 2.962 0.913) 3.126 1.315 ( -5.170 -1.238 2.874) 6.043 1.327 ( -0.130 0.168 -1.493) 1.508 1.430 ( -7.647 -0.557 -0.249) 7.671 1.507 ( -3.553 -2.767 2.334) 5.073 1.724 ( -2.694 -0.557 3.409) 4.381 1.756 ( -4.367 -3.842 -2.475) 6.321 1.838 ( -1.667 1.339 1.458) 2.588 1.858 ( -3.233 -0.079 0.788) 3.329 1.976 ( 2.169 1.455 -4.678) 5.357 2.127 ( -2.471 -4.347 -4.137) 6.490 2.225 ( 1.835 -0.934 3.931) 4.438 2.299 ( 1.877 -2.630 1.263) 3.469 2.370 ( 3.129 -0.466 4.541) 5.534 2.400 ( 0.605 -2.246 3.240) 3.988 2.612 ( 5.792 2.114 2.661) 6.715 2.649 ( 2.627 1.043 4.729) 5.509 2.757 ( 1.323 3.682 0.089) 3.913 2.776 ( 1.886 3.551 -1.253) 4.211 2.893 ( -0.124 -0.594 0.091) 0.613 3.003 ( 2.473 -6.016 -6.691) 9.331 3.414 ( 2.879 6.523 -1.813) 7.357 3.477 ( 1.813 5.003 -1.351) 5.490 3.690 ( 0.567 -1.282 0.707) 1.570 3.715 ( 1.717 -0.886 -0.311) 1.957 3.883 ( -3.905 0.919 0.906) 4.113 3.955 ( 1.530 0.121 -2.900) 3.281 4.049 ( -0.424 0.740 -0.846) 1.202 4.111 ( -5.344 -2.491 -1.691) 6.134 4.177 ( -0.279 3.763 3.674) 5.267 4.251 ( 3.334 1.158 -1.938) 4.026 4.964 ( 0.861 0.493 0.953) 1.375 5.044 ( -0.247 -2.862 -0.712) 2.960 5.225 ( 1.565 0.706 0.949) 1.962 5.352 ( 0.886 -5.377 -3.231) 6.336 5.944 ( 4.603 3.713 3.248) 6.747 6.046 ( 6.049 0.974 1.126) 6.230 6.126 ( 3.272 -0.543 0.557) 3.363 6.138 ( 0.149 -2.467 2.664) 3.634 6.643 ( 2.867 2.273 -2.673) 4.531 6.731 ( -2.405 -2.178 2.199) 3.919 7.314 ( -5.176 3.421 1.259) 6.331 7.467 ( 0.644 -0.661 -5.079) 5.162 7.504 ( -4.823 -0.882 1.976) 5.286 7.590 ( 1.659 -2.242 0.533) 2.839 9.336 ( -1.826 -1.174 3.377) 4.015 9.405 ( 0.765 -4.729 -2.040) 5.207 9.844 ( -2.631 6.170 4.856) 8.281 9.919 ( 1.254 4.049 -2.405) 4.874 10.415 ( -2.440 -2.495 3.951) 5.272 10.525 ( 3.495 -6.492 -6.302) 9.699 10.942 ( -0.809 1.976 0.806) 2.282 10.960 ( 0.265 1.146 -1.113) 1.619 14.116 ( 0.077 0.117 -0.296) 0.328 14.120 ( 0.327 -0.047 -0.704) 0.778 ======================= Grid point 168 (94/100) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 3.971 -2.798 4.697) 6.758 0.665 ( 3.971 2.798 4.697) 6.758 0.970 ( -3.540 -2.616 -4.930) 6.609 0.970 ( -3.540 2.616 -4.930) 6.609 1.188 ( -3.235 -5.450 6.846) 9.329 1.188 ( -3.235 5.450 6.846) 9.329 1.292 ( 1.704 -2.800 -2.951) 4.410 1.292 ( 1.704 2.800 -2.951) 4.410 1.452 ( 0.023 -3.306 4.133) 5.292 1.452 ( 0.023 3.306 4.133) 5.292 1.640 ( -0.000 -3.383 -4.789) 5.863 1.640 ( -0.000 3.383 -4.789) 5.863 1.839 ( -0.924 -0.501 1.532) 1.858 1.839 ( -0.924 0.501 1.532) 1.858 2.005 ( 0.797 -0.983 -3.065) 3.316 2.005 ( 0.797 0.983 -3.065) 3.316 2.351 ( 2.048 -2.529 5.756) 6.612 2.351 ( 2.048 2.529 5.756) 6.612 2.418 ( -0.294 -0.927 0.721) 1.210 2.418 ( -0.294 0.927 0.721) 1.210 2.733 ( 0.870 -0.664 1.425) 1.797 2.733 ( 0.870 0.664 1.425) 1.797 2.788 ( -0.471 -3.954 -2.595) 4.753 2.788 ( -0.471 3.954 -2.595) 4.753 2.892 ( 0.086 -1.505 -1.799) 2.347 2.892 ( 0.086 1.505 -1.799) 2.347 3.514 ( -0.701 -0.172 0.059) 0.724 3.514 ( -0.701 0.172 0.059) 0.724 3.673 ( -0.214 -1.586 -0.691) 1.743 3.673 ( -0.214 1.586 -0.691) 1.743 3.926 ( -1.040 -3.600 0.835) 3.839 3.926 ( -1.040 3.600 0.835) 3.839 4.025 ( 0.367 -0.482 -1.175) 1.322 4.025 ( 0.367 0.482 -1.175) 1.322 4.270 ( 0.277 -2.123 1.047) 2.383 4.270 ( 0.277 2.123 1.047) 2.383 4.999 ( 0.156 -0.773 0.132) 0.799 4.999 ( 0.156 0.773 0.132) 0.799 5.262 ( 0.099 -1.455 -1.166) 1.867 5.262 ( 0.099 1.455 -1.166) 1.867 6.103 ( -1.637 -2.297 3.623) 4.592 6.103 ( -1.637 2.297 3.623) 4.592 6.169 ( 4.117 -1.265 -1.673) 4.621 6.169 ( 4.117 1.265 -1.673) 4.621 6.671 ( -0.161 -1.479 -1.481) 2.099 6.671 ( -0.161 1.479 -1.481) 2.099 7.303 ( -2.852 -2.329 0.633) 3.736 7.303 ( -2.852 2.329 0.633) 3.736 7.582 ( 2.856 -1.921 -1.251) 3.662 7.582 ( 2.856 1.921 -1.251) 3.662 9.346 ( -0.358 -1.507 0.917) 1.800 9.346 ( -0.358 1.507 0.917) 1.800 9.934 ( -1.507 -2.597 2.714) 4.047 9.934 ( -1.507 2.597 2.714) 4.047 10.423 ( 1.671 -3.628 -2.858) 4.912 10.423 ( 1.671 3.628 -2.858) 4.912 10.959 ( -0.575 -0.691 0.359) 0.968 10.959 ( -0.575 0.691 0.359) 0.968 14.117 ( 0.181 -0.115 -0.428) 0.479 14.117 ( 0.181 0.115 -0.428) 0.479 ======================= Grid point 170 (95/100) ======================= q-point: ( 0.14 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -1.419 -5.059 -4.428) 6.871 0.645 ( -1.419 5.059 -4.428) 6.871 1.025 ( 3.137 -3.611 4.123) 6.315 1.025 ( 3.137 3.611 4.123) 6.315 1.229 ( 0.866 -4.524 5.254) 6.987 1.229 ( 0.866 4.524 5.254) 6.987 1.319 ( 4.736 -2.930 -3.538) 6.599 1.319 ( 4.736 2.930 -3.538) 6.599 1.474 ( 2.074 -2.714 0.874) 3.526 1.474 ( 2.074 2.714 0.874) 3.526 1.701 ( 7.678 -2.304 -0.886) 8.065 1.701 ( 7.678 2.304 -0.886) 8.065 1.872 ( 2.221 -3.554 3.447) 5.426 1.872 ( 2.221 3.554 3.447) 5.426 1.988 ( 0.476 -0.732 -2.550) 2.696 1.988 ( 0.476 0.732 -2.550) 2.696 2.337 ( -4.171 -1.520 -3.568) 5.695 2.337 ( -4.171 1.520 -3.568) 5.695 2.417 ( -1.118 -1.456 0.431) 1.885 2.417 ( -1.118 1.456 0.431) 1.885 2.709 ( -3.095 -4.791 -1.653) 5.938 2.709 ( -3.095 4.791 -1.653) 5.938 2.778 ( -0.463 -0.542 0.703) 1.001 2.778 ( -0.463 0.542 0.703) 1.001 2.860 ( -1.238 -2.208 0.118) 2.534 2.860 ( -1.238 2.208 0.118) 2.534 3.485 ( -2.454 -2.716 1.044) 3.807 3.485 ( -2.454 2.716 1.044) 3.807 3.669 ( -1.696 -2.365 0.500) 2.953 3.669 ( -1.696 2.365 0.500) 2.953 3.910 ( 0.199 -4.244 1.412) 4.477 3.910 ( 0.199 4.244 1.412) 4.477 4.062 ( 2.939 -1.540 -0.351) 3.336 4.062 ( 2.939 1.540 -0.351) 3.336 4.272 ( -0.422 -1.677 -0.471) 1.793 4.272 ( -0.422 1.677 -0.471) 1.793 4.991 ( -0.700 -1.126 -0.064) 1.328 4.991 ( -0.700 1.126 -0.064) 1.328 5.252 ( -0.510 -1.076 -0.358) 1.243 5.252 ( -0.510 1.076 -0.358) 1.243 6.040 ( -6.499 -2.213 0.063) 6.866 6.040 ( -6.499 2.213 0.063) 6.866 6.182 ( 0.856 -1.479 -3.969) 4.321 6.182 ( 0.856 1.479 -3.969) 4.321 6.672 ( 0.603 -5.675 0.181) 5.709 6.672 ( 0.603 5.675 0.181) 5.709 7.317 ( 1.106 -0.325 3.848) 4.016 7.317 ( 1.106 0.325 3.848) 4.016 7.617 ( 4.043 -0.623 -4.189) 5.855 7.617 ( 4.043 0.623 -4.189) 5.855 9.345 ( -0.648 -1.276 0.614) 1.558 9.345 ( -0.648 1.276 0.614) 1.558 9.933 ( -1.528 -2.897 2.709) 4.250 9.933 ( -1.528 2.897 2.709) 4.250 10.424 ( 1.777 -3.825 -2.899) 5.118 10.424 ( 1.777 3.825 -2.899) 5.118 10.956 ( -0.526 -1.028 0.976) 1.512 10.956 ( -0.526 1.028 0.976) 1.512 14.116 ( 0.180 -0.144 -0.315) 0.391 14.116 ( 0.180 0.144 -0.315) 0.391 ======================= Grid point 172 (96/100) ======================= q-point: ( 0.29 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 6.344 -3.888 0.700) 7.474 0.672 ( 6.344 3.888 0.700) 7.474 1.057 ( -2.345 -3.701 4.105) 6.004 1.057 ( -2.345 3.701 4.105) 6.004 1.303 ( 1.138 -0.897 3.101) 3.423 1.303 ( 1.138 0.897 3.101) 3.423 1.346 ( 2.755 -3.770 -3.127) 5.620 1.346 ( 2.755 3.770 -3.127) 5.620 1.594 ( 6.563 -1.096 -0.761) 6.698 1.594 ( 6.563 1.096 -0.761) 6.698 1.794 ( 2.529 -2.069 -1.767) 3.715 1.794 ( 2.529 2.069 -1.767) 3.715 1.981 ( 0.743 -4.955 4.752) 6.905 1.981 ( 0.743 4.955 4.752) 6.905 1.998 ( 7.489 -3.390 -4.068) 9.172 1.998 ( 7.489 3.390 -4.068) 9.172 2.217 ( -2.637 -2.024 -2.735) 4.304 2.217 ( -2.637 2.024 -2.735) 4.304 2.381 ( -0.860 -0.168 -1.036) 1.357 2.381 ( -0.860 0.168 -1.036) 1.357 2.571 ( -7.286 -2.089 -3.716) 8.441 2.571 ( -7.286 2.089 -3.716) 8.441 2.767 ( -2.204 -2.092 0.014) 3.039 2.767 ( -2.204 2.092 0.014) 3.039 2.869 ( 0.445 -1.338 1.644) 2.166 2.869 ( 0.445 1.338 1.644) 2.166 3.451 ( -2.470 -3.183 0.968) 4.144 3.451 ( -2.470 3.183 0.968) 4.144 3.622 ( -3.433 -3.604 2.012) 5.369 3.622 ( -3.433 3.604 2.012) 5.369 3.955 ( 1.486 -3.609 1.104) 4.056 3.955 ( 1.486 3.609 1.104) 4.056 4.108 ( 2.238 -4.184 -0.000) 4.745 4.108 ( 2.238 4.184 -0.000) 4.745 4.243 ( -1.156 -1.599 -1.794) 2.666 4.243 ( -1.156 1.599 -1.794) 2.666 4.992 ( 0.602 -2.545 0.940) 2.780 4.992 ( 0.602 2.545 0.940) 2.780 5.228 ( -1.318 -2.778 -0.377) 3.098 5.228 ( -1.318 2.778 -0.377) 3.098 5.904 ( -6.563 -2.834 -1.804) 7.373 5.904 ( -6.563 2.834 -1.804) 7.373 6.148 ( 0.273 -1.468 -3.375) 3.691 6.148 ( 0.273 1.468 -3.375) 3.691 6.679 ( 0.007 -6.539 0.337) 6.548 6.679 ( 0.007 6.539 0.337) 6.548 7.380 ( 0.468 -0.835 3.419) 3.551 7.380 ( 0.468 0.835 3.419) 3.551 7.647 ( 4.480 -1.772 -5.080) 7.002 7.647 ( 4.480 1.772 -5.080) 7.002 9.338 ( -0.684 -1.436 0.649) 1.718 9.338 ( -0.684 1.436 0.649) 1.718 9.941 ( -0.884 -3.128 3.164) 4.536 9.941 ( -0.884 3.128 3.164) 4.536 10.426 ( 1.728 -3.984 -2.933) 5.240 10.426 ( 1.728 3.984 -2.933) 5.240 10.957 ( -0.574 -1.162 1.178) 1.751 10.957 ( -0.574 1.162 1.178) 1.751 14.117 ( 0.213 -0.160 -0.238) 0.357 14.117 ( 0.213 0.160 -0.238) 0.357 ======================= Grid point 174 (97/100) ======================= q-point: ( 0.43 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 5.352 -2.738 3.519) 6.966 0.824 ( 5.352 2.738 3.519) 6.966 1.070 ( -1.301 -2.276 5.490) 6.084 1.070 ( -1.301 2.276 5.490) 6.084 1.291 ( -2.056 -0.663 -2.569) 3.356 1.291 ( -2.056 0.663 -2.569) 3.356 1.411 ( 4.556 -4.176 0.795) 6.231 1.411 ( 4.556 4.176 0.795) 6.231 1.613 ( -1.246 -0.232 -2.281) 2.610 1.613 ( -1.246 0.232 -2.281) 2.610 1.752 ( -2.320 -2.711 -4.875) 6.041 1.752 ( -2.320 2.711 -4.875) 6.041 2.012 ( -0.719 -4.819 4.296) 6.496 2.012 ( -0.719 4.819 4.296) 6.496 2.115 ( 4.923 -3.995 -1.564) 6.530 2.115 ( 4.923 3.995 -1.564) 6.530 2.218 ( 5.157 -2.026 -2.310) 6.003 2.218 ( 5.157 2.026 -2.310) 6.003 2.358 ( -5.567 -2.456 -2.813) 6.703 2.358 ( -5.567 2.456 -2.813) 6.703 2.437 ( -0.248 -1.309 1.199) 1.792 2.437 ( -0.248 1.309 1.199) 1.792 2.709 ( -2.295 -2.181 -0.987) 3.316 2.709 ( -2.295 2.181 -0.987) 3.316 2.884 ( 0.074 -1.675 0.215) 1.690 2.884 ( 0.074 1.675 0.215) 1.690 3.418 ( -1.558 -1.988 0.549) 2.585 3.418 ( -1.558 1.988 0.549) 2.585 3.615 ( 0.080 -3.107 2.398) 3.925 3.615 ( 0.080 3.107 2.398) 3.925 3.956 ( -1.607 -4.793 -0.087) 5.056 3.956 ( -1.607 4.793 -0.087) 5.056 4.141 ( 0.547 -4.033 1.181) 4.238 4.141 ( 0.547 4.033 1.181) 4.238 4.209 ( -0.094 -3.301 -2.122) 3.925 4.209 ( -0.094 3.301 -2.122) 3.925 5.027 ( 1.104 -1.789 1.440) 2.548 5.027 ( 1.104 1.789 1.440) 2.548 5.213 ( 0.293 -2.792 0.003) 2.808 5.213 ( 0.293 2.792 0.003) 2.808 5.774 ( -3.929 -2.437 -2.892) 5.453 5.774 ( -3.929 2.437 -2.892) 5.453 6.127 ( 0.284 -0.751 -1.801) 1.972 6.127 ( 0.284 0.751 -1.801) 1.972 6.692 ( 0.881 -5.095 0.357) 5.183 6.692 ( 0.881 5.095 0.357) 5.183 7.395 ( -1.290 -1.271 1.689) 2.477 7.395 ( -1.290 1.271 1.689) 2.477 7.667 ( 2.454 -1.547 -3.911) 4.870 7.667 ( 2.454 1.547 -3.911) 4.870 9.336 ( -0.323 -1.443 0.789) 1.676 9.336 ( -0.323 1.443 0.789) 1.676 9.962 ( -0.899 -3.114 3.316) 4.636 9.962 ( -0.899 3.114 3.316) 4.636 10.426 ( 1.625 -3.981 -2.931) 5.204 10.426 ( 1.625 3.981 -2.931) 5.204 10.959 ( -0.451 -1.003 0.964) 1.462 10.959 ( -0.451 1.003 0.964) 1.462 14.119 ( 0.244 -0.150 -0.260) 0.387 14.119 ( 0.244 0.150 -0.260) 0.387 ======================= Grid point 176 (98/100) ======================= q-point: (-0.43 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -1.592 -1.129 -1.098) 2.239 0.880 ( -1.592 1.129 -1.098) 2.239 1.115 ( -1.614 -1.150 4.625) 5.031 1.115 ( -1.614 1.150 4.625) 5.031 1.234 ( 0.912 -1.006 -0.939) 1.651 1.234 ( 0.912 1.006 -0.939) 1.651 1.434 ( -3.575 -1.759 -0.573) 4.025 1.434 ( -3.575 1.759 -0.573) 4.025 1.589 ( -2.722 -0.913 1.218) 3.119 1.589 ( -2.722 0.913 1.218) 3.119 1.680 ( 2.132 -3.043 -0.854) 3.813 1.680 ( 2.132 3.043 -0.854) 3.813 2.064 ( 1.345 -2.281 3.035) 4.028 2.064 ( 1.345 2.281 3.035) 4.028 2.095 ( -6.299 -1.925 -0.083) 6.587 2.095 ( -6.299 1.925 -0.083) 6.587 2.182 ( -5.213 -4.901 -2.682) 7.641 2.182 ( -5.213 4.901 -2.682) 7.641 2.341 ( 7.281 -2.407 -0.777) 7.708 2.341 ( 7.281 2.407 -0.777) 7.708 2.456 ( -0.878 -0.983 -0.225) 1.337 2.456 ( -0.878 0.983 -0.225) 1.337 2.699 ( 1.955 -1.723 0.012) 2.606 2.699 ( 1.955 1.723 0.012) 2.606 2.893 ( 1.512 -1.812 -0.674) 2.455 2.893 ( 1.512 1.812 -0.674) 2.455 3.420 ( 1.426 -0.426 0.405) 1.543 3.420 ( 1.426 0.426 0.405) 1.543 3.648 ( 1.643 -1.052 -0.634) 2.051 3.648 ( 1.643 1.052 -0.634) 2.051 3.937 ( -0.365 -4.400 1.581) 4.690 3.937 ( -0.365 4.400 1.581) 4.690 4.149 ( -1.648 -2.996 1.723) 3.829 4.149 ( -1.648 2.996 1.723) 3.829 4.189 ( 0.118 -3.853 -1.496) 4.135 4.189 ( 0.118 3.853 -1.496) 4.135 5.036 ( -1.271 -0.474 0.550) 1.464 5.036 ( -1.271 0.474 0.550) 1.464 5.232 ( 1.892 -2.251 -1.497) 3.300 5.232 ( 1.892 2.251 -1.497) 3.300 5.740 ( 2.820 -1.676 -0.047) 3.281 5.740 ( 2.820 1.676 -0.047) 3.281 6.117 ( -0.070 -0.580 -0.757) 0.956 6.117 ( -0.070 0.580 -0.757) 0.956 6.704 ( 0.348 -1.093 -0.843) 1.424 6.704 ( 0.348 1.093 -0.843) 1.424 7.393 ( -0.523 -1.277 2.126) 2.534 7.393 ( -0.523 1.277 2.126) 2.534 7.649 ( -0.924 -2.151 -2.480) 3.410 7.649 ( -0.924 2.151 -2.480) 3.410 9.340 ( -0.113 -1.460 0.488) 1.543 9.340 ( -0.113 1.460 0.488) 1.543 9.967 ( -2.087 -2.927 2.830) 4.575 9.967 ( -2.087 2.927 2.830) 4.575 10.425 ( 1.553 -3.805 -2.855) 5.004 10.425 ( 1.553 3.805 -2.855) 5.004 10.963 ( -0.032 -0.729 0.620) 0.957 10.963 ( -0.032 0.729 0.620) 0.957 14.120 ( 0.238 -0.123 -0.372) 0.459 14.120 ( 0.238 0.123 -0.372) 0.459 ======================= Grid point 178 (99/100) ======================= q-point: (-0.29 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -7.813 -4.009 -5.245) 10.229 0.745 ( -7.813 4.009 -5.245) 10.229 1.102 ( -0.938 -3.544 0.318) 3.680 1.102 ( -0.938 3.544 0.318) 3.680 1.282 ( -0.772 -3.056 2.938) 4.308 1.282 ( -0.772 3.056 2.938) 4.308 1.350 ( -2.262 -2.290 -1.075) 3.394 1.350 ( -2.262 2.290 -1.075) 3.394 1.540 ( -5.158 -1.089 3.671) 6.424 1.540 ( -5.158 1.089 3.671) 6.424 1.748 ( 0.586 -2.508 2.910) 3.886 1.748 ( 0.586 2.508 2.910) 3.886 1.899 ( -10.831 -4.882 2.985) 12.250 1.899 ( -10.831 4.882 2.985) 12.250 2.081 ( 1.830 -4.358 -4.707) 6.671 2.081 ( 1.830 4.358 -4.707) 6.671 2.193 ( 2.791 -3.600 1.789) 4.894 2.193 ( 2.791 3.600 1.789) 4.894 2.358 ( -3.627 -0.907 -0.632) 3.791 2.358 ( -3.627 0.907 -0.632) 3.791 2.507 ( 6.150 -2.129 2.377) 6.928 2.507 ( 6.150 2.129 2.377) 6.928 2.762 ( 3.811 -1.510 0.372) 4.116 2.762 ( 3.811 1.510 0.372) 4.116 2.914 ( 1.575 -2.509 -2.028) 3.590 2.914 ( 1.575 2.509 -2.028) 3.590 3.466 ( 2.847 -2.249 -0.389) 3.649 3.466 ( 2.847 2.249 -0.389) 3.649 3.666 ( 2.505 -2.300 -2.171) 4.035 3.666 ( 2.505 2.300 -2.171) 4.035 3.954 ( -0.918 -2.613 1.277) 3.050 3.954 ( -0.918 2.613 1.277) 3.050 4.119 ( -1.754 -3.647 -0.712) 4.109 4.119 ( -1.754 3.647 -0.712) 4.109 4.194 ( 0.177 -2.432 2.414) 3.431 4.194 ( 0.177 2.432 2.414) 3.431 5.008 ( -1.300 -2.162 -0.435) 2.560 5.008 ( -1.300 2.162 -0.435) 2.560 5.246 ( 1.990 -4.705 -2.124) 5.533 5.246 ( 1.990 4.705 -2.124) 5.533 5.862 ( 7.564 -3.408 2.191) 8.581 5.862 ( 7.564 3.408 2.191) 8.581 6.107 ( -0.634 -0.876 0.395) 1.151 6.107 ( -0.634 0.876 0.395) 1.151 6.692 ( -0.054 -2.326 -0.996) 2.531 6.692 ( -0.054 2.326 -0.996) 2.531 7.422 ( 1.092 -4.333 0.981) 4.575 7.422 ( 1.092 4.333 0.981) 4.575 7.582 ( -4.164 -2.590 -0.441) 4.923 7.582 ( -4.164 2.590 -0.441) 4.923 9.341 ( -0.213 -1.838 0.350) 1.883 9.341 ( -0.213 1.838 0.350) 1.883 9.949 ( -2.623 -2.753 2.551) 4.579 9.949 ( -2.623 2.753 2.551) 4.579 10.424 ( 1.518 -3.599 -2.782) 4.796 10.424 ( 1.518 3.599 -2.782) 4.796 10.968 ( 0.062 -0.568 0.202) 0.606 10.968 ( 0.062 0.568 0.202) 0.606 14.120 ( 0.217 -0.099 -0.479) 0.535 14.120 ( 0.217 0.099 -0.479) 0.535 ======================= Grid point 180 (100/100) ======================= q-point: (-0.14 -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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -2.627 -4.686 -0.247) 5.378 0.588 ( -2.627 4.686 -0.247) 5.378 1.093 ( -1.435 -4.398 -0.544) 4.658 1.093 ( -1.435 4.398 -0.544) 4.658 1.226 ( -6.577 -2.002 2.353) 7.266 1.226 ( -6.577 2.002 2.353) 7.266 1.318 ( -1.467 -1.185 -1.647) 2.504 1.318 ( -1.467 1.185 -1.647) 2.504 1.449 ( -5.615 -2.740 3.256) 7.045 1.449 ( -5.615 2.740 3.256) 7.045 1.713 ( -2.495 -0.306 -1.671) 3.018 1.713 ( -2.495 0.306 -1.671) 3.018 1.855 ( -2.856 -1.216 4.406) 5.389 1.855 ( -2.856 1.216 4.406) 5.389 2.041 ( -0.022 -4.703 -5.664) 7.362 2.041 ( -0.022 4.703 -5.664) 7.362 2.244 ( 2.700 -2.647 2.610) 4.594 2.244 ( 2.700 2.647 2.610) 4.594 2.373 ( 1.468 -0.873 4.523) 4.835 2.373 ( 1.468 0.873 4.523) 4.835 2.645 ( 4.636 -1.241 3.754) 6.093 2.645 ( 4.636 1.241 3.754) 6.093 2.818 ( 1.843 -0.938 -1.628) 2.632 2.818 ( 1.843 0.938 -1.628) 2.632 2.901 ( 0.826 -3.505 -3.370) 4.932 2.901 ( 0.826 3.505 -3.370) 4.932 3.504 ( 1.884 -2.416 -0.833) 3.175 3.504 ( 1.884 2.416 -0.833) 3.175 3.690 ( 1.063 -1.451 -1.348) 2.248 3.690 ( 1.063 1.451 -1.348) 2.248 3.927 ( -1.147 -2.790 -0.166) 3.021 3.927 ( -1.147 2.790 -0.166) 3.021 4.071 ( -2.345 -1.654 -1.255) 3.132 4.071 ( -2.345 1.654 -1.255) 3.132 4.238 ( 0.899 -2.335 2.783) 3.743 4.238 ( 0.899 2.335 2.783) 3.743 4.992 ( 0.088 -2.347 -0.223) 2.359 4.992 ( 0.088 2.347 -0.223) 2.359 5.263 ( 1.540 -3.562 -1.512) 4.165 5.263 ( 1.540 3.562 -1.512) 4.165 6.019 ( 6.243 -3.609 2.109) 7.513 6.019 ( 6.243 3.609 2.109) 7.513 6.116 ( 0.715 -0.232 1.761) 1.915 6.116 ( 0.715 0.232 1.761) 1.915 6.688 ( 0.224 -2.439 -0.849) 2.592 6.688 ( 0.224 2.439 -0.849) 2.592 7.392 ( -3.731 -4.723 -2.879) 6.672 7.392 ( -3.731 4.723 -2.879) 6.672 7.544 ( -0.008 -2.768 2.252) 3.569 7.544 ( -0.008 2.768 2.252) 3.569 9.342 ( -0.270 -1.896 0.780) 2.068 9.342 ( -0.270 1.896 0.780) 2.068 9.934 ( -1.861 -2.584 2.731) 4.195 9.934 ( -1.861 2.584 2.731) 4.195 10.423 ( 1.541 -3.524 -2.801) 4.758 10.423 ( 1.541 3.524 -2.801) 4.758 10.967 ( -0.342 -0.511 -0.014) 0.615 10.967 ( -0.342 0.511 -0.014) 0.615 14.118 ( 0.200 -0.095 -0.499) 0.546 14.118 ( 0.200 0.095 -0.499) 0.546 =================== 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 3/17640 10.0 20.093 10.733 9.791 0.000 -1.843 0.000 3/17640 20.0 6.064 3.237 3.292 0.000 -0.351 0.000 3/17640 30.0 3.354 1.810 1.869 0.000 -0.164 0.000 3/17640 40.0 2.285 1.258 1.301 0.000 -0.106 0.000 3/17640 50.0 1.729 0.975 1.003 0.000 -0.081 0.000 3/17640 60.0 1.394 0.807 0.823 0.000 -0.068 0.000 3/17640 70.0 1.172 0.697 0.703 0.000 -0.060 0.000 3/17640 80.0 1.014 0.619 0.618 0.000 -0.056 0.000 3/17640 90.0 0.896 0.561 0.554 0.000 -0.053 0.000 3/17640 100.0 0.804 0.516 0.505 0.000 -0.051 0.000 3/17640 110.0 0.731 0.480 0.465 0.000 -0.049 0.000 3/17640 120.0 0.670 0.450 0.432 0.000 -0.048 0.000 3/17640 130.0 0.620 0.423 0.404 0.000 -0.047 0.000 3/17640 140.0 0.576 0.401 0.380 0.000 -0.046 0.000 3/17640 150.0 0.539 0.380 0.358 0.000 -0.045 0.000 3/17640 160.0 0.506 0.362 0.340 0.000 -0.044 0.000 3/17640 170.0 0.477 0.345 0.323 0.000 -0.043 0.000 3/17640 180.0 0.452 0.330 0.308 0.000 -0.041 0.000 3/17640 190.0 0.429 0.317 0.294 0.000 -0.040 0.000 3/17640 200.0 0.408 0.304 0.281 0.000 -0.039 0.000 3/17640 210.0 0.389 0.292 0.269 0.000 -0.038 0.000 3/17640 220.0 0.372 0.281 0.259 0.000 -0.037 0.000 3/17640 230.0 0.356 0.271 0.249 0.000 -0.036 0.000 3/17640 240.0 0.342 0.261 0.240 0.000 -0.035 0.000 3/17640 250.0 0.328 0.252 0.231 0.000 -0.034 0.000 3/17640 260.0 0.316 0.244 0.223 0.000 -0.034 0.000 3/17640 270.0 0.305 0.236 0.216 0.000 -0.033 0.000 3/17640 280.0 0.294 0.229 0.209 0.000 -0.032 0.000 3/17640 290.0 0.284 0.222 0.202 0.000 -0.031 0.000 3/17640 300.0 0.275 0.215 0.196 0.000 -0.030 0.000 3/17640 310.0 0.266 0.209 0.190 0.000 -0.030 0.000 3/17640 320.0 0.258 0.203 0.185 0.000 -0.029 0.000 3/17640 330.0 0.250 0.197 0.180 0.000 -0.028 0.000 3/17640 340.0 0.243 0.192 0.175 0.000 -0.028 0.000 3/17640 350.0 0.236 0.187 0.170 0.000 -0.027 0.000 3/17640 360.0 0.230 0.182 0.166 0.000 -0.026 0.000 3/17640 370.0 0.224 0.178 0.161 0.000 -0.026 0.000 3/17640 380.0 0.218 0.174 0.157 0.000 -0.025 0.000 3/17640 390.0 0.213 0.169 0.154 0.000 -0.025 0.000 3/17640 400.0 0.207 0.165 0.150 0.000 -0.024 0.000 3/17640 410.0 0.202 0.162 0.147 0.000 -0.024 0.000 3/17640 420.0 0.198 0.158 0.143 0.000 -0.023 0.000 3/17640 430.0 0.193 0.155 0.140 0.000 -0.023 0.000 3/17640 440.0 0.189 0.151 0.137 0.000 -0.022 0.000 3/17640 450.0 0.185 0.148 0.134 0.000 -0.022 0.000 3/17640 460.0 0.181 0.145 0.131 0.000 -0.021 0.000 3/17640 470.0 0.177 0.142 0.129 0.000 -0.021 0.000 3/17640 480.0 0.173 0.139 0.126 0.000 -0.021 0.000 3/17640 490.0 0.170 0.137 0.124 0.000 -0.020 0.000 3/17640 500.0 0.166 0.134 0.121 0.000 -0.020 0.000 3/17640 510.0 0.163 0.132 0.119 0.000 -0.020 0.000 3/17640 520.0 0.160 0.129 0.117 0.000 -0.019 0.000 3/17640 530.0 0.157 0.127 0.115 0.000 -0.019 0.000 3/17640 540.0 0.154 0.125 0.113 0.000 -0.019 0.000 3/17640 550.0 0.151 0.122 0.111 0.000 -0.018 0.000 3/17640 560.0 0.149 0.120 0.109 0.000 -0.018 0.000 3/17640 570.0 0.146 0.118 0.107 0.000 -0.018 0.000 3/17640 580.0 0.144 0.116 0.105 0.000 -0.017 0.000 3/17640 590.0 0.141 0.114 0.103 0.000 -0.017 0.000 3/17640 600.0 0.139 0.113 0.102 0.000 -0.017 0.000 3/17640 610.0 0.137 0.111 0.100 0.000 -0.017 0.000 3/17640 620.0 0.134 0.109 0.098 0.000 -0.016 0.000 3/17640 630.0 0.132 0.107 0.097 0.000 -0.016 0.000 3/17640 640.0 0.130 0.106 0.095 0.000 -0.016 0.000 3/17640 650.0 0.128 0.104 0.094 0.000 -0.016 0.000 3/17640 660.0 0.126 0.103 0.093 0.000 -0.015 0.000 3/17640 670.0 0.125 0.101 0.091 0.000 -0.015 0.000 3/17640 680.0 0.123 0.100 0.090 0.000 -0.015 0.000 3/17640 690.0 0.121 0.098 0.089 0.000 -0.015 0.000 3/17640 700.0 0.119 0.097 0.087 0.000 -0.015 0.000 3/17640 710.0 0.118 0.096 0.086 0.000 -0.014 0.000 3/17640 720.0 0.116 0.094 0.085 0.000 -0.014 0.000 3/17640 730.0 0.114 0.093 0.084 0.000 -0.014 0.000 3/17640 740.0 0.113 0.092 0.083 0.000 -0.014 0.000 3/17640 750.0 0.111 0.091 0.082 0.000 -0.014 0.000 3/17640 760.0 0.110 0.089 0.081 0.000 -0.013 0.000 3/17640 770.0 0.108 0.088 0.080 0.000 -0.013 0.000 3/17640 780.0 0.107 0.087 0.079 0.000 -0.013 0.000 3/17640 790.0 0.106 0.086 0.078 0.000 -0.013 0.000 3/17640 800.0 0.104 0.085 0.077 0.000 -0.013 0.000 3/17640 810.0 0.103 0.084 0.076 0.000 -0.013 0.000 3/17640 820.0 0.102 0.083 0.075 0.000 -0.013 0.000 3/17640 830.0 0.101 0.082 0.074 0.000 -0.012 0.000 3/17640 840.0 0.099 0.081 0.073 0.000 -0.012 0.000 3/17640 850.0 0.098 0.080 0.072 0.000 -0.012 0.000 3/17640 860.0 0.097 0.079 0.071 0.000 -0.012 0.000 3/17640 870.0 0.096 0.078 0.071 0.000 -0.012 0.000 3/17640 880.0 0.095 0.077 0.070 0.000 -0.012 0.000 3/17640 890.0 0.094 0.077 0.069 0.000 -0.012 0.000 3/17640 900.0 0.093 0.076 0.068 0.000 -0.011 0.000 3/17640 910.0 0.092 0.075 0.068 0.000 -0.011 0.000 3/17640 920.0 0.091 0.074 0.067 0.000 -0.011 0.000 3/17640 930.0 0.090 0.073 0.066 0.000 -0.011 0.000 3/17640 940.0 0.089 0.073 0.065 0.000 -0.011 0.000 3/17640 950.0 0.088 0.072 0.065 0.000 -0.011 0.000 3/17640 960.0 0.087 0.071 0.064 0.000 -0.011 0.000 3/17640 970.0 0.086 0.070 0.063 0.000 -0.011 0.000 3/17640 980.0 0.085 0.070 0.063 0.000 -0.011 0.000 3/17640 990.0 0.084 0.069 0.062 0.000 -0.010 0.000 3/17640 1000.0 0.084 0.068 0.062 0.000 -0.010 0.000 3/17640 Thermal conductivity related properties were written into "kappa-m767.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:07:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|